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Staphylococcal complement inhibitor

Involved in countering the first line of host defense mechanisms. Efficiently inhibits opsonization, phagocytosis and killing of S.aureus by human neutrophils. Acts by binding and stabilizing human C3 convertases (C4b2a and C3bBb), leading to their inactivation. The convertases are no longer able to cleave complement C3, therefore preventing further C3b deposition on the bacterial surface and phagocytosis of the bacterium. Also prevents C5a-induced neutrophil responses (By similarity).

AlphaFold DB (Q2FWV6), UniProt , Accession Q99SU9, Species STAAN (Staphylococcus aureus (strain N315)), Gene scn, Length 116 aa.

						>SCIN_STAAN|Q99SU9|scn
MKIRKSILAGTLAIVLASPLVTNLDKNEAQASTSLPTSNEYQNEKLANELKSLLDELNVNELATGSLNTYYKRTIKISGLKAMYALKSKDFKKMSEAKYQLQKIYNEIDEALKSKY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	46.3	Very low	238 Å²	238	158.8 Å²	158.8	100%	1.172	85%	0.845	S	S	*	*				0	101.8	0	-77.9	167.9	70.3	0	0	110.5
2	K	42.6	Very low	46.2	Very low	191 Å²	191	159 Å²	159	83%	0.83	85%	0.845	S	S	*	*			trans	-155.5	91.2	166.8	-71.9	-169.4	-179.7	173.2	0	108.9
3	I	54.8	Low	46.2	Very low	178 Å²	178	153.7 Å²	153.7	91%	0.913	84%	0.837	S	S	*	*			trans	-90.7	109.9	174.1	-61.2	173.4	0	0	0	107.2
4	R	47.2	Very low	46.5	Very low	217 Å²	217	151.6 Å²	151.6	82%	0.819	82%	0.823	S	S	*	*			trans	-85.3	137.5	178.5	-70.6	-175.6	173	-171.8	-1.6	109.6	S6	R4-S6 PolarHBondContact O-N 2.71Å
5	K	45.3	Very low	46.1	Very low	205 Å²	205	150.1 Å²	150.1	89%	0.891	82%	0.82	S	S	*	*			trans	-55.1	120.2	178.1	-62.7	174.2	174.7	-177.4	0	111.3
6	S	47.3	Very low	46.2	Very low	108 Å²	108	150.4 Å²	150.4	76%	0.755	82%	0.82	S	S	*	*			trans	-97.3	102.1	166.1	28.7	0	0	0	0	109.1	R4 L8	R4-S6 PolarHBondContact O-N 2.71Å; S6-L8 PolarHBondContact O-N 2.99Å
7	I	51.7	Low	45.9	Very low	153 Å²	153	146.6 Å²	146.6	79%	0.785	81%	0.813	S	S	*	*			trans	-78.2	102.1	164.4	-63.4	171.3	0	0	0	105.8	A9	I7-A9 VanDerWaalsContact C-N 3.28Å; I7-A9 HydrophobicContact CG2-CB 4.45Å; I7-A9 PolarHBondContact O-N 3.47Å
8	L	47.7	Very low	46.2	Very low	164 Å²	164	144.5 Å²	144.5	86%	0.859	81%	0.81	S	S	*	*			trans	-78.4	81.1	173.6	-128.9	94.4	0	0	0	108.7	S6 G10	S6-L8 PolarHBondContact O-N 2.99Å; L8-G10 VanDerWaalsContact C-N 3.31Å; L8-G10 PolarHBondContact O-N 2.96Å
9	A	42.8	Very low	46.2	Very low	88 Å²	88	142.6 Å²	142.6	73%	0.727	81%	0.805	S	S	*	*			trans	-84.3	78.6	166.6	0	0	0	0	0	108.4	I7 T11	I7-A9 VanDerWaalsContact C-N 3.28Å; I7-A9 HydrophobicContact CG2-CB 4.45Å; I7-A9 PolarHBondContact O-N 3.47Å; A9-T11 PolarHBondContact O-N 3.48Å
10	G	44.3	Very low	45.9	Very low	69 Å²	69	143.7 Å²	143.7	71%	0.711	81%	0.808	S	S	*	*			trans	-81.7	108.4	174.5	0	0	0	0	0	110.6	L8	L8-G10 VanDerWaalsContact C-N 3.31Å; L8-G10 PolarHBondContact O-N 2.96Å
11	T	49.5	Very low	45.8	Very low	136 Å²	136	143.3 Å²	143.3	83%	0.834	81%	0.808	S	S	*	*			trans	-67.4	123	172.1	47.4	0	0	0	0	110.7	A9 A13	A9-T11 PolarHBondContact O-N 3.48Å; T11-A13 PolarHBondContact O-N 3.49Å
12	L	45.3	Very low	46.1	Very low	161 Å²	161	137.2 Å²	137.2	84%	0.843	78%	0.784	S	S	*	*			trans	-76.3	111	173.4	-133.3	87.9	0	0	0	109.6	I14	L12-I14 HydrophobicContact CD2-CD1 4.49Å; L12-I14 HydrophobicContact CD2-CG1 4.47Å
13	A	45.9	Very low	46.1	Very low	90 Å²	90	135.2 Å²	135.2	74%	0.744	78%	0.783	S	S	*	*			trans	-96.6	119.4	169.8	0	0	0	0	0	109	T11	T11-A13 PolarHBondContact O-N 3.49Å
14	I	50.1	Low	45.7	Very low	125 Å²	125	135 Å²	135	64%	0.641	78%	0.782	S	S	*	*			trans	-105.9	104.8	171.4	-56.9	176.3	0	0	0	106.9	L12 L16	L12-I14 HydrophobicContact CD2-CD1 4.49Å; L12-I14 HydrophobicContact CD2-CG1 4.47Å; I14-L16 HydrophobicContact CG2-CD2 4.23Å; I14-L16 HydrophobicContact CG2-CG 4Å
15	V	40.7	Very low	45.6	Very low	128 Å²	128	131.7 Å²	131.7	78%	0.776	78%	0.781	S	S	*	*			trans	-87.8	101.3	167.7	176.8	0	0	0	0	106.9	A17	V15-A17 HydrophobicContact CG1-CB 4.48Å; V15-A17 PolarHBondContact O-N 3.02Å
16	L	48	Very low	45.4	Very low	156 Å²	156	131 Å²	131	82%	0.817	78%	0.778	S	S	*	*			trans	-83.1	92	165.2	-70.9	175.4	0	0	0	108.1	I14	I14-L16 HydrophobicContact CG2-CD2 4.23Å; I14-L16 HydrophobicContact CG2-CG 4Å
17	A	41.2	Very low	45.3	Very low	86 Å²	86	133.4 Å²	133.4	71%	0.711	78%	0.782	S	S	*	*			trans	-87.9	122.4	161.1	0	0	0	0	0	108.3	V15	V15-A17 HydrophobicContact CG1-CB 4.48Å; V15-A17 PolarHBondContact O-N 3.02Å
18	S	50.8	Low	44.8	Very low	108 Å²	108	134 Å²	134	76%	0.755	78%	0.782	S	S	*	*			trans	-147.8	150.5	163.5	-62.4	0	0	0	0	106.2
19	P	46.4	Very low	44.8	Very low	109 Å²	109	130.7 Å²	130.7	71%	0.708	78%	0.778	S	S	*	*			cis	-138.8	156.9	22.8	36.9	-17.7	0	0	0	115
20	L	40.7	Very low	44.9	Very low	164 Å²	164	134.3 Å²	134.3	86%	0.859	78%	0.78	S	S	*	*			trans	-135.3	107.2	150.1	-149.7	81.6	0	0	0	108.9
21	V	43	Very low	45.2	Very low	135 Å²	135	135.2 Å²	135.2	82%	0.818	78%	0.781	S	S	*	*			trans	-91.9	112.9	175	-81.8	0	0	0	0	108.6
22	T	43.4	Very low	45.1	Very low	110 Å²	110	133.5 Å²	133.5	68%	0.675	78%	0.775	S	S	*	*			trans	-141.8	105.2	161.7	53.4	0	0	0	0	109.3
23	N	41.9	Very low	46	Very low	150 Å²	150	131.5 Å²	131.5	80%	0.802	77%	0.769	S	S	*	*			trans	45.8	104.2	152.3	-54.9	-47.7	0	0	0	117.9
24	L	45.9	Very low	47.4	Very low	172 Å²	172	132.7 Å²	132.7	90%	0.901	77%	0.772	S	S	*	*			trans	-161.1	118.2	143.6	-128.5	83.7	0	0	0	110.5
25	D	46.7	Very low	48.7	Very low	148 Å²	148	134.4 Å²	134.4	79%	0.791	78%	0.782	S	S	*	*			trans	44.1	125.4	162.2	-81.8	-56.2	0	0	0	123	N27	D25-N27 VanDerWaalsContact C-N 3.32Å; D25-N27 PolarHBondContact O-N 2.88Å
26	K	40.4	Very low	50.5	Low	192 Å²	192	131.4 Å²	131.4	84%	0.835	77%	0.765	S	S	*	*	S	Bend	trans	-67.4	70.9	179.3	-71.2	169.8	168.7	174.7	0	113.5
27	N	44.5	Very low	52.2	Low	157 Å²	157	127.6 Å²	127.6	84%	0.84	75%	0.748	S	S	*	*			trans	-127.6	63.4	152.5	-79.3	-57	0	0	0	108.1	D25 A29	D25-N27 VanDerWaalsContact C-N 3.32Å; D25-N27 PolarHBondContact O-N 2.88Å; N27-A29 PolarHBondContact O-N 2.94Å
28	E	42.7	Very low	54.3	Low	166 Å²	166	127.3 Å²	127.3	78%	0.776	74%	0.741	S	S	*	*			trans	-71.4	91.3	179.8	-68.2	-177.7	175.3	0	0	109.6	Q30	E28-Q30 VanDerWaalsContact C-N 3.3Å; E28-Q30 PolarHBondContact O-N 3.28Å
29	A	47.6	Very low	56.1	Low	95 Å²	95	127.9 Å²	127.9	79%	0.785	74%	0.736	S	S	*	*			trans	-59.1	101.2	154.8	0	0	0	0	0	106.8	N27 A31	N27-A29 PolarHBondContact O-N 2.94Å; A29-A31 VanDerWaalsContact C-N 3.32Å; A29-A31 PolarHBondContact O-N 2.87Å
30	Q	43.8	Very low	58.1	Low	163 Å²	163	127.9 Å²	127.9	76%	0.762	73%	0.726	S	S	*	*			trans	-61.1	97.6	171.3	-75.2	-173.9	12.1	0	0	108.2	E28 S32	E28-Q30 VanDerWaalsContact C-N 3.3Å; E28-Q30 PolarHBondContact O-N 3.28Å; Q30-S32 PolarHBondContact O-N 2.94Å
31	A	51.9	Low	60.4	Low	89 Å²	89	126.1 Å²	126.1	74%	0.736	71%	0.709	S	S	*	*			trans	-73.7	64.2	164.6	0	0	0	0	0	108.8	A29 T33	A29-A31 VanDerWaalsContact C-N 3.32Å; A29-A31 PolarHBondContact O-N 2.87Å; A31-T33 PolarHBondContact O-N 3.29Å
32	S	45.7	Very low	62.8	Low	99 Å²	99	124 Å²	124	69%	0.692	69%	0.69	S	S	*	*			trans	-80.5	62	169.2	-65.6	0	0	0	0	109.6	Q30	Q30-S32 PolarHBondContact O-N 2.94Å
33	T	65.4	Low	65.1	Low	120 Å²	120	121 Å²	121	74%	0.736	67%	0.67	S	S	*	*			trans	-113.2	113.5	167.6	52	0	0	0	0	107.3	A31	A31-T33 PolarHBondContact O-N 3.29Å
34	S	75	Confident	67.6	Low	115 Å²	115	119.3 Å²	119.3	80%	0.804	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-50.5	145.3	166.5	46.8	0	0	0	0	110
35	L	77.5	Confident	70	Confident	161 Å²	161	116.2 Å²	116.2	84%	0.843	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-54.1	137.3	173.7	-69.2	172.2	0	0	0	109.7
36	P	77.3	Confident	72.4	Confident	65 Å²	65	109.7 Å²	109.7	42%	0.422	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-61.6	147.4	176.6	26.2	-33.5	0	0	0	110	E40	P36-E40 WeakPolarHBondContact CA-OE2 3.45Å; P36-E40 HydrophobicContact CB-CB 3.95Å
37	T	84.4	Confident	75.1	Confident	75 Å²	75	100.9 Å²	100.9	46%	0.46	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-63	158.7	169.6	65.6	0	0	0	0	110.1	N39 E40 Y41	T37-N39 PolarHBondContact O-N 2.93Å; T37-E40 PolarHBondContact N-OE2 3.48Å; T37-E40 PolarHBondContact O-N 3.26Å; T37-E40 VanDerWaalsContact O-N 3.09Å; T37-E40 VanDerWaalsContact OG1-CD 3.29Å; T37-E40 VanDerWaalsContact OG1-CG 3.28Å; T37-E40 WeakPolarHBondContact OG1-CG 3.28Å; T37-E40 PolarHBondContact OG1-N 3.34Å; T37-E40 PolarHBondContact OG1-OE2 2.9Å; T37-Y41 PolarHBondContact O-N 3.18Å
38	S	86	Confident	77.6	Confident	80 Å²	80	97.9 Å²	97.9	56%	0.559	55%	0.549	S	S	*	.	H	α-helix	trans	-55.3	-37.6	178.3	-167.8	0	0	0	0	112.4	Q42	S38-Q42 WeakPolarHBondContact O-CB 3.4Å; S38-Q42 VanDerWaalsContact O-CG 3.24Å; S38-Q42 WeakPolarHBondContact O-CG 3.33Å; S38-Q42 PolarHBondContact O-N 2.98Å; S38-Q42 PolarHBondContact OG-NE2 3.48Å
39	N	87.2	Confident	80.3	Confident	121 Å²	121	93.2 Å²	93.2	65%	0.647	53%	0.527	S	S	*	.	H	α-helix	trans	-68.2	-41.8	178	-70.8	-13.9	0	0	0	112.1	T37 Q42 N43	T37-N39 PolarHBondContact O-N 2.93Å; N39-Q42 PolarHBondContact O-N 3.39Å; N39-N43 VanDerWaalsContact O-CB 3.23Å; N39-N43 WeakPolarHBondContact O-CB 3.43Å; N39-N43 PolarHBondContact O-N 3.1Å
40	E	88.9	Confident	82.7	Confident	109 Å²	109	88.7 Å²	88.7	51%	0.509	49%	0.489	S	S	.	.	H	α-helix	trans	-62	-47.9	175.9	-75.1	164.3	170.9	0	0	110.8	P36 T37 Q42 N43 E44	P36-E40 WeakPolarHBondContact CA-OE2 3.45Å; P36-E40 HydrophobicContact CB-CB 3.95Å; T37-E40 PolarHBondContact N-OE2 3.48Å; T37-E40 PolarHBondContact O-N 3.26Å; T37-E40 VanDerWaalsContact O-N 3.09Å; T37-E40 VanDerWaalsContact OG1-CD 3.29Å; T37-E40 VanDerWaalsContact OG1-CG 3.28Å; T37-E40 WeakPolarHBondContact OG1-CG 3.28Å; T37-E40 PolarHBondContact OG1-N 3.34Å; T37-E40 PolarHBondContact OG1-OE2 2.9Å; E40-Q42 PolarHBondContact O-N 3.31Å; E40-N43 PolarHBondContact O-N 2.94Å; E40-E44 VanDerWaalsContact O-CB 3.29Å; E40-E44 WeakPolarHBondContact O-CB 3.46Å; E40-E44 PolarHBondContact O-N 3.18Å
41	Y	90.1	Very high	85.3	Confident	127 Å²	127	85.2 Å²	85.2	50%	0.498	47%	0.472	S	S	.	.	H	α-helix	trans	-59.7	-45.6	178.2	179.7	-97.8	0	0	0	112.3	T37 K45	T37-Y41 PolarHBondContact O-N 3.18Å; Y41-K45 HydrophobicContact CE1-CD 4.5Å; Y41-K45 VanDerWaalsContact O-CB 3.27Å; Y41-K45 WeakPolarHBondContact O-CB 3.49Å; Y41-K45 PolarHBondContact O-N 2.82Å
42	Q	91.8	Very high	87.5	Confident	91 Å²	91	84.2 Å²	84.2	43%	0.425	46%	0.459	S	S	.	.	H	α-helix	trans	-66.3	-40.6	178.7	-71.9	175.5	18.2	0	0	112.3	S38 N39 E40 L46 F91	S38-Q42 WeakPolarHBondContact O-CB 3.4Å; S38-Q42 VanDerWaalsContact O-CG 3.24Å; S38-Q42 WeakPolarHBondContact O-CG 3.33Å; S38-Q42 PolarHBondContact O-N 2.98Å; S38-Q42 PolarHBondContact OG-NE2 3.48Å; N39-Q42 PolarHBondContact O-N 3.39Å; E40-Q42 PolarHBondContact O-N 3.31Å; Q42-L46 WeakPolarHBondContact O-CB 3.23Å; Q42-L46 PolarHBondContact O-N 3.09Å; Q42-F91 HydrophobicContact CB-CE2 4.27Å
43	N	92.8	Very high	90	Very high	47 Å²	47	80.2 Å²	80.2	25%	0.251	43%	0.43	S	S	.	.	H	α-helix	trans	-69.5	-39.6	-180	-157.3	28.8	0	0	0	111.4	N39 E40 A47 K89 M94	N39-N43 VanDerWaalsContact O-CB 3.23Å; N39-N43 WeakPolarHBondContact O-CB 3.43Å; N39-N43 PolarHBondContact O-N 3.1Å; E40-N43 PolarHBondContact O-N 2.94Å; N43-A47 WeakPolarHBondContact O-CB 3.39Å; N43-A47 PolarHBondContact O-N 3.34Å; N43-K89 PolarHBondContact ND2-O 3.43Å; N43-M94 WeakPolarHBondContact OD1-CE 3.16Å
44	E	94.1	Very high	91.6	Very high	113 Å²	113	75.8 Å²	75.8	53%	0.528	40%	0.402	S	S	.	.	H	α-helix	trans	-65.3	-47.3	174.3	-174.1	179.9	-177.5	0	0	111.5	E40 L46 A47 N48	E40-E44 VanDerWaalsContact O-CB 3.29Å; E40-E44 WeakPolarHBondContact O-CB 3.46Å; E40-E44 PolarHBondContact O-N 3.18Å; E44-L46 VanDerWaalsContact C-N 3.31Å; E44-L46 PolarHBondContact O-N 3.01Å; E44-A47 PolarHBondContact O-N 3.1Å; E44-A47 VanDerWaalsContact O-N 3.16Å; E44-N48 VanDerWaalsContact O-CG 3.29Å; E44-N48 PolarHBondContact O-N 2.84Å; E44-N48 PolarHBondContact O-ND2 3.2Å
45	K	95.6	Very high	92.7	Very high	108 Å²	108	75.2 Å²	75.2	47%	0.47	39%	0.39	S	S	.	.	H	α-helix	trans	-55.1	-48.3	175.7	-177.9	179	178.3	-179	0	111.3	Y41 A47 N48 E49	Y41-K45 HydrophobicContact CE1-CD 4.5Å; Y41-K45 VanDerWaalsContact O-CB 3.27Å; Y41-K45 WeakPolarHBondContact O-CB 3.49Å; Y41-K45 PolarHBondContact O-N 2.82Å; K45-A47 PolarHBondContact O-N 2.92Å; K45-N48 PolarHBondContact O-N 2.94Å; K45-E49 WeakPolarHBondContact CE-OE1 3.36Å; K45-E49 WeakPolarHBondContact O-CG 2.88Å; K45-E49 PolarHBondContact O-N 2.63Å
46	L	97.2	Very high	93.6	Very high	10 Å²	10	72.5 Å²	72.5	5%	0.052	37%	0.373	C	S	.	.	H	α-helix	trans	-64.8	-39.4	179.2	179	60.2	0	0	0	112.3	Q42 E44 N48 E49 L50 F91 M94 K98	Q42-L46 WeakPolarHBondContact O-CB 3.23Å; Q42-L46 PolarHBondContact O-N 3.09Å; E44-L46 VanDerWaalsContact C-N 3.31Å; E44-L46 PolarHBondContact O-N 3.01Å; L46-N48 VanDerWaalsContact C-N 3.33Å; L46-N48 PolarHBondContact O-N 2.86Å; L46-E49 PolarHBondContact O-N 3.46Å; L46-L50 WeakPolarHBondContact O-CB 3.49Å; L46-L50 PolarHBondContact O-N 3.4Å; L46-F91 HydrophobicContact CB-CE2 4.26Å; L46-F91 HydrophobicContact CD2-CD1 4.35Å; L46-F91 HydrophobicContact CD2-CD2 3.54Å; L46-F91 HydrophobicContact CD2-CE1 4.37Å; L46-F91 HydrophobicContact CD2-CE2 3.56Å; L46-F91 HydrophobicContact CD2-CG 3.96Å; L46-F91 HydrophobicContact CD2-CZ 3.99Å; L46-F91 WeakPolarHBondContact CD2-O 3.28Å; L46-M94 HydrophobicContact CD2-CB 3.81Å; L46-M94 HydrophobicContact CG-CB 3.95Å; L46-K98 HydrophobicContact CD1-CD 3.78Å
47	A	97.8	Very high	94.6	Very high	7 Å²	7	70.5 Å²	70.5	6%	0.058	36%	0.358	C	S	.	.	H	α-helix	trans	-62.5	-40.8	175.7	0	0	0	0	0	111.8	N43 E44 K45 L50 K51 L86 M94	N43-A47 WeakPolarHBondContact O-CB 3.39Å; N43-A47 PolarHBondContact O-N 3.34Å; E44-A47 PolarHBondContact O-N 3.1Å; E44-A47 VanDerWaalsContact O-N 3.16Å; K45-A47 PolarHBondContact O-N 2.92Å; A47-L50 PolarHBondContact O-N 2.86Å; A47-K51 VanDerWaalsContact O-CB 3.26Å; A47-K51 WeakPolarHBondContact O-CB 3.39Å; A47-K51 PolarHBondContact O-N 2.93Å; A47-L86 HydrophobicContact CB-CD1 3.87Å; A47-M94 HydrophobicContact CB-CE 4.42Å; A47-M94 HydrophobicContact CB-SD 3.96Å
48	N	97.8	Very high	95.2	Very high	95 Å²	95	72.6 Å²	72.6	51%	0.508	37%	0.367	S	S	.	.	H	α-helix	trans	-67.3	-42.8	177.5	-69.2	-20.7	0	0	0	111.8	E44 K45 L46 L50 K51 S52	E44-N48 VanDerWaalsContact O-CG 3.29Å; E44-N48 PolarHBondContact O-N 2.84Å; E44-N48 PolarHBondContact O-ND2 3.2Å; K45-N48 PolarHBondContact O-N 2.94Å; L46-N48 VanDerWaalsContact C-N 3.33Å; L46-N48 PolarHBondContact O-N 2.86Å; N48-L50 PolarHBondContact O-N 2.91Å; N48-K51 PolarHBondContact O-N 3.4Å; N48-S52 PolarHBondContact O-N 3.06Å
49	E	97.9	Very high	95.8	Very high	68 Å²	68	73.5 Å²	73.5	32%	0.318	37%	0.369	S	S	.	.	H	α-helix	trans	-61.1	-44.2	174.3	-70.3	171.7	160.7	0	0	111.7	K45 L46 S52 L53 K98	K45-E49 WeakPolarHBondContact CE-OE1 3.36Å; K45-E49 WeakPolarHBondContact O-CG 2.88Å; K45-E49 PolarHBondContact O-N 2.63Å; L46-E49 PolarHBondContact O-N 3.46Å; E49-S52 PolarHBondContact O-N 3.03Å; E49-L53 PolarHBondContact O-N 3.45Å; E49-K98 HydrophobicContact CB-CD 4.27Å; E49-K98 VanDerWaalsContact CD-NZ 3.27Å; E49-K98 IonicContact OE1-NZ 2.63Å; E49-K98 IonicContact OE2-NZ 2.57Å; E49-K98 PolarHBondContact OE2-NZ 3.26Å
50	L	98.3	Very high	96.3	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-66.7	-38.3	176.9	-176.8	60	0	0	0	112	L46 A47 N48 L53 L54 A82 A85 L86 M94 A97 K98	L46-L50 WeakPolarHBondContact O-CB 3.49Å; L46-L50 PolarHBondContact O-N 3.4Å; A47-L50 PolarHBondContact O-N 2.86Å; N48-L50 PolarHBondContact O-N 2.91Å; L50-L53 PolarHBondContact O-N 3.44Å; L50-L54 HydrophobicContact CG-CD1 4.48Å; L50-L54 PolarHBondContact O-N 3.39Å; L50-A82 HydrophobicContact CD1-CB 3.79Å; L50-A85 HydrophobicContact CD2-CB 4.22Å; L50-L86 HydrophobicContact CD2-CB 3.98Å; L50-M94 HydrophobicContact CD2-CB 3.91Å; L50-M94 HydrophobicContact CD2-CG 3.81Å; L50-A97 HydrophobicContact CD1-CB 4.41Å; L50-K98 HydrophobicContact CD1-CB 4.16Å
51	K	98.3	Very high	96.7	Very high	90 Å²	90	66 Å²	66	39%	0.391	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-42.4	176.2	179.2	58.7	170.2	68.9	0	111.5	A47 N48 L53 L54 D55 L86	A47-K51 VanDerWaalsContact O-CB 3.26Å; A47-K51 WeakPolarHBondContact O-CB 3.39Å; A47-K51 PolarHBondContact O-N 2.93Å; N48-K51 PolarHBondContact O-N 3.4Å; K51-L53 VanDerWaalsContact C-N 3.29Å; K51-L53 PolarHBondContact O-N 3.26Å; K51-L54 WeakPolarHBondContact O-CB 3.23Å; K51-L54 PolarHBondContact O-N 3.46Å; K51-L54 VanDerWaalsContact O-N 3.1Å; K51-D55 IonicContact NZ-OD1 2.82Å; K51-D55 PolarHBondContact NZ-OD1 3.41Å; K51-D55 IonicContact NZ-OD2 3.56Å; K51-D55 PolarHBondContact NZ-OD2 3.48Å; K51-D55 PolarHBondContact O-N 2.94Å; K51-L86 HydrophobicContact CB-CD2 4.19Å; K51-L86 HydrophobicContact CD-CD2 3.97Å
52	S	98.3	Very high	97.1	Very high	68 Å²	68	66.4 Å²	66.4	48%	0.476	34%	0.34	S	S	.	.	H	α-helix	trans	-57.9	-41.2	175.4	-169.6	0	0	0	0	112	N48 E49 D55	N48-S52 PolarHBondContact O-N 3.06Å; E49-S52 PolarHBondContact O-N 3.03Å; S52-D55 PolarHBondContact O-N 3.21Å
53	L	98.3	Very high	97.3	Very high	15 Å²	15	63.5 Å²	63.5	8%	0.079	33%	0.332	C	S	.	.	H	α-helix	trans	-66.5	-41	175.1	-65	175.7	0	0	0	112	E49 L50 K51 D55 E56 L57 K98 L101 Q102 Y105	E49-L53 PolarHBondContact O-N 3.45Å; L50-L53 PolarHBondContact O-N 3.44Å; K51-L53 VanDerWaalsContact C-N 3.29Å; K51-L53 PolarHBondContact O-N 3.26Å; L53-D55 VanDerWaalsContact C-N 3.26Å; L53-D55 PolarHBondContact O-N 3.48Å; L53-E56 PolarHBondContact O-N 3.31Å; L53-L57 PolarHBondContact O-N 3.42Å; L53-K98 HydrophobicContact CD1-CG 3.83Å; L53-L101 HydrophobicContact CB-CD2 3.68Å; L53-L101 HydrophobicContact CB-CG 4.28Å; L53-L101 HydrophobicContact CD1-CB 4.48Å; L53-Q102 HydrophobicContact CD1-CB 4.37Å; L53-Y105 HydrophobicContact CB-CE2 4.13Å; L53-Y105 HydrophobicContact CD2-CD2 3.99Å; L53-Y105 HydrophobicContact CD2-CE2 3.9Å; L53-Y105 PolarHBondContact O-OH 3.04Å
54	L	98.4	Very high	97.5	Very high	26 Å²	26	61.4 Å²	61.4	14%	0.136	32%	0.321	C	S	.	.	H	α-helix	trans	-64.5	-29.8	178	-78.2	171.3	0	0	0	112.9	L50 K51 E56 L57 A82 M83 L86 L101	L50-L54 HydrophobicContact CG-CD1 4.48Å; L50-L54 PolarHBondContact O-N 3.39Å; K51-L54 WeakPolarHBondContact O-CB 3.23Å; K51-L54 PolarHBondContact O-N 3.46Å; K51-L54 VanDerWaalsContact O-N 3.1Å; L54-E56 PolarHBondContact O-N 3.31Å; L54-L57 HydrophobicContact CD2-CD2 3.96Å; L54-L57 WeakPolarHBondContact O-CB 3.37Å; L54-L57 PolarHBondContact O-N 2.95Å; L54-L57 VanDerWaalsContact O-N 3.15Å; L54-A82 HydrophobicContact CD1-CB 4.33Å; L54-A82 HydrophobicContact CD2-CB 3.69Å; L54-A82 HydrophobicContact CG-CB 4.1Å; L54-M83 HydrophobicContact CD1-CG 4.45Å; L54-M83 HydrophobicContact CD2-CG 3.8Å; L54-L86 HydrophobicContact CD1-CB 4.3Å; L54-L86 HydrophobicContact CD1-CD2 3.75Å; L54-L101 HydrophobicContact CD2-CD2 4.23Å; L54-L101 HydrophobicContact CG-CD2 4.43Å
55	D	98.3	Very high	97.7	Very high	103 Å²	103	59 Å²	59	55%	0.551	33%	0.326	S	S	*	.	H	α-helix	trans	-65.2	-29.3	176.4	-71.7	-29.1	0	0	0	112.5	K51 S52 L53	K51-D55 IonicContact NZ-OD1 2.82Å; K51-D55 PolarHBondContact NZ-OD1 3.41Å; K51-D55 IonicContact NZ-OD2 3.56Å; K51-D55 PolarHBondContact NZ-OD2 3.48Å; K51-D55 PolarHBondContact O-N 2.94Å; S52-D55 PolarHBondContact O-N 3.21Å; L53-D55 VanDerWaalsContact C-N 3.26Å; L53-D55 PolarHBondContact O-N 3.48Å
56	E	97.4	Very high	97.6	Very high	104 Å²	104	57 Å²	57	49%	0.486	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2.3	175.5	-61.9	-179.1	-174.6	0	0	113.6	L53 L54 N58 V59 N60 Y105	L53-E56 PolarHBondContact O-N 3.31Å; L54-E56 PolarHBondContact O-N 3.31Å; E56-N58 PolarHBondContact O-N 3.01Å; E56-V59 PolarHBondContact O-N 3.4Å; E56-N60 PolarHBondContact O-N 3.43Å; E56-N60 VanDerWaalsContact O-N 3.07Å; E56-N60 PolarHBondContact O-ND2 3.14Å; E56-Y105 HydrophobicContact CB-CE2 4.39Å
57	L	98	Very high	97.6	Very high	23 Å²	23	58.1 Å²	58.1	12%	0.12	33%	0.332	C	S	.	.	H	α-helix	trans	-59.6	-46.7	-174.5	177.8	64.1	0	0	0	112.5	L53 L54 V59 N60 E61 I75 L101 Y105	L53-L57 PolarHBondContact O-N 3.42Å; L54-L57 HydrophobicContact CD2-CD2 3.96Å; L54-L57 WeakPolarHBondContact O-CB 3.37Å; L54-L57 PolarHBondContact O-N 2.95Å; L54-L57 VanDerWaalsContact O-N 3.15Å; L57-V59 VanDerWaalsContact C-N 3.28Å; L57-V59 PolarHBondContact O-N 2.88Å; L57-N60 PolarHBondContact O-N 3.29Å; L57-E61 WeakPolarHBondContact O-CB 3.41Å; L57-E61 PolarHBondContact O-N 3.02Å; L57-I75 HydrophobicContact CD1-CD1 4.23Å; L57-I75 HydrophobicContact CD1-CG1 3.82Å; L57-L101 HydrophobicContact CD1-CD1 4.01Å; L57-Y105 WeakPolarHBondContact CA-OH 3.48Å; L57-Y105 PolarHBondContact N-OH 2.9Å
58	N	97.5	Very high	97.5	Very high	119 Å²	119	62.8 Å²	62.8	64%	0.636	36%	0.356	S	S	*	.	H	α-helix	trans	-64.7	-35.4	-178.8	-175.1	61	0	0	0	111.9	E56 L62	E56-N58 PolarHBondContact O-N 3.01Å; N58-L62 WeakPolarHBondContact O-CB 3.29Å; N58-L62 PolarHBondContact O-N 2.93Å
59	V	97.8	Very high	97.5	Very high	99 Å²	99	62.6 Å²	62.6	60%	0.6	36%	0.358	S	S	*	.	H	α-helix	trans	-65	-49.7	177.5	177.5	0	0	0	0	110.1	E56 L57 L62 A63	E56-V59 PolarHBondContact O-N 3.4Å; L57-V59 VanDerWaalsContact C-N 3.28Å; L57-V59 PolarHBondContact O-N 2.88Å; V59-L62 PolarHBondContact O-N 2.87Å; V59-A63 PolarHBondContact O-N 3.5Å
60	N	97.8	Very high	97.5	Very high	15 Å²	15	64.1 Å²	64.1	8%	0.08	36%	0.362	C	S	.	.	H	α-helix	trans	-65.6	-39.5	178.5	-77.6	-84.1	0	0	0	111.8	E56 L57 L62 A63 T64 I75 Y105 I108	E56-N60 PolarHBondContact O-N 3.43Å; E56-N60 VanDerWaalsContact O-N 3.07Å; E56-N60 PolarHBondContact O-ND2 3.14Å; L57-N60 PolarHBondContact O-N 3.29Å; N60-L62 VanDerWaalsContact C-N 3.33Å; N60-L62 PolarHBondContact O-N 3.31Å; N60-A63 WeakPolarHBondContact O-CB 3.42Å; N60-A63 PolarHBondContact O-N 3.29Å; N60-T64 VanDerWaalsContact O-CG2 3.31Å; N60-T64 WeakPolarHBondContact O-CG2 3.43Å; N60-T64 PolarHBondContact O-N 2.91Å; N60-I75 VanDerWaalsContact C-CD1 3.45Å; N60-I75 HydrophobicContact CB-CD1 3.36Å; N60-Y105 HydrophobicContact CB-CD1 3.75Å; N60-Y105 HydrophobicContact CB-CE1 3.51Å; N60-Y105 VanDerWaalsContact CG-CD1 3.47Å; N60-I108 HydrophobicContact CB-CD1 4.34Å
61	E	97.6	Very high	97.5	Very high	58 Å²	58	66.6 Å²	66.6	27%	0.271	37%	0.372	S	S	.	.	H	α-helix	trans	-60.6	-44.1	175.7	-177.7	175.3	163.6	0	0	111	L57 A63 T64 I75 K76	L57-E61 WeakPolarHBondContact O-CB 3.41Å; L57-E61 PolarHBondContact O-N 3.02Å; E61-A63 PolarHBondContact O-N 2.79Å; E61-T64 PolarHBondContact O-N 3.45Å; E61-T64 PolarHBondContact O-OG1 2.95Å; E61-I75 HydrophobicContact CB-CD1 4.34Å; E61-I75 HydrophobicContact CB-CG2 4.44Å; E61-I75 HydrophobicContact CG-CG2 4.38Å; E61-K76 WeakPolarHBondContact OE1-CE 3.43Å; E61-K76 IonicContact OE1-NZ 3.82Å
62	L	97.9	Very high	97.5	Very high	135 Å²	135	67 Å²	67	71%	0.707	37%	0.373	S	S	*	.	H	α-helix	trans	-64	-40.7	177.3	-174.5	61	0	0	0	111.8	N58 V59 N60 T64 G65	N58-L62 WeakPolarHBondContact O-CB 3.29Å; N58-L62 PolarHBondContact O-N 2.93Å; V59-L62 PolarHBondContact O-N 2.87Å; N60-L62 VanDerWaalsContact C-N 3.33Å; N60-L62 PolarHBondContact O-N 3.31Å; L62-T64 PolarHBondContact O-N 3.49Å; L62-G65 PolarHBondContact O-N 2.96Å
63	A	96.8	Very high	97.5	Very high	31 Å²	31	70.9 Å²	70.9	26%	0.256	38%	0.378	S	S	.	.	H	α-helix	trans	-59.5	-30.3	177.8	0	0	0	0	0	112.7	V59 N60 E61 G65 I108 L112	V59-A63 PolarHBondContact O-N 3.5Å; N60-A63 WeakPolarHBondContact O-CB 3.42Å; N60-A63 PolarHBondContact O-N 3.29Å; E61-A63 PolarHBondContact O-N 2.79Å; A63-G65 PolarHBondContact O-N 3.44Å; A63-I108 HydrophobicContact CB-CG2 4.3Å; A63-L112 HydrophobicContact CB-CD1 4.21Å
64	T	97.1	Very high	97.5	Very high	2 Å²	2	71.9 Å²	71.9	1%	0.012	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-67	-13.2	174.9	74.3	0	0	0	0	114.3	N60 E61 L62 S66 L67 K72 I75 I108	N60-T64 VanDerWaalsContact O-CG2 3.31Å; N60-T64 WeakPolarHBondContact O-CG2 3.43Å; N60-T64 PolarHBondContact O-N 2.91Å; E61-T64 PolarHBondContact O-N 3.45Å; E61-T64 PolarHBondContact O-OG1 2.95Å; L62-T64 PolarHBondContact O-N 3.49Å; T64-S66 PolarHBondContact O-N 3.16Å; T64-S66 VanDerWaalsContact O-N 3.08Å; T64-L67 PolarHBondContact O-N 3.41Å; T64-K72 WeakPolarHBondContact OG1-CA 3.26Å; T64-K72 WeakPolarHBondContact OG1-CB 3.32Å; T64-I75 HydrophobicContact CG2-CG2 3.96Å; T64-I108 HydrophobicContact CG2-CD1 3.54Å; T64-I108 HydrophobicContact CG2-CG1 3.99Å
65	G	96.8	Very high	97.5	Very high	62 Å²	62	70.6 Å²	70.6	64%	0.639	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-58.3	-24.1	-179.3	0	0	0	0	0	114	L62 A63	L62-G65 PolarHBondContact O-N 2.96Å; A63-G65 PolarHBondContact O-N 3.44Å
66	S	95.3	Very high	97.4	Very high	67 Å²	67	70.3 Å²	70.3	47%	0.469	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-107.1	4.5	179.7	85.6	0	0	0	0	114.3	T64 K115	T64-S66 PolarHBondContact O-N 3.16Å; T64-S66 VanDerWaalsContact O-N 3.08Å; S66-K115 PolarHBondContact O-NZ 3.36Å; S66-K115 VanDerWaalsContact O-NZ 3.08Å; S66-K115 PolarHBondContact OG-NZ 2.9Å
67	L	96.8	Very high	97.5	Very high	33 Å²	33	70.5 Å²	70.5	17%	0.173	37%	0.374	C	S	.	.	S	Bend	trans	-106.2	175.6	-178.7	-58.5	-178	0	0	0	111.1	T64 Y71 I108 A111 L112	T64-L67 PolarHBondContact O-N 3.41Å; L67-Y71 HydrophobicContact CB-CD2 3.59Å; L67-Y71 HydrophobicContact CB-CE2 4.23Å; L67-Y71 HydrophobicContact CB-CG 4.23Å; L67-Y71 HydrophobicContact CD1-CD2 4.06Å; L67-Y71 HydrophobicContact CD1-CG 4.05Å; L67-Y71 HydrophobicContact CG-CD2 4.44Å; L67-I108 HydrophobicContact CD1-CG1 4.43Å; L67-I108 HydrophobicContact CD1-CG2 4.06Å; L67-A111 HydrophobicContact CD1-CB 3.91Å; L67-A111 HydrophobicContact CD2-CB 4.01Å; L67-L112 HydrophobicContact CD1-CD2 4.45Å; L67-L112 HydrophobicContact CD1-CG 4.41Å; L67-L112 HydrophobicContact CD2-CD2 4Å; L67-L112 HydrophobicContact CD2-CG 4.48Å; L67-L112 HydrophobicContact CG-CD2 4.39Å
68	N	96.3	Very high	97.5	Very high	105 Å²	105	69.8 Å²	69.8	56%	0.561	37%	0.372	S	S	*	.			trans	-58.7	144.6	173.5	-169.5	-48.6	0	0	0	111.3	Y70 Y71	N68-Y70 PolarHBondContact O-N 3.1Å; N68-Y70 PolarHBondContact OD1-N 3.18Å; N68-Y70 VanDerWaalsContact OD1-N 3.1Å; N68-Y71 HydrophobicContact CB-CD2 4.08Å; N68-Y71 HydrophobicContact CB-CE2 4.09Å; N68-Y71 WeakPolarHBondContact O-CD2 3.39Å; N68-Y71 PolarHBondContact O-N 2.96Å
69	T	97.4	Very high	97.5	Very high	92 Å²	92	64.2 Å²	64.2	56%	0.564	34%	0.342	S	S	*	.	H	α-helix	trans	-49.8	-25.9	175.6	64.5	0	0	0	0	114.9	Y71 K72 R73	T69-Y71 PolarHBondContact O-N 2.82Å; T69-K72 PolarHBondContact O-N 2.57Å; T69-R73 WeakPolarHBondContact O-CB 3.24Å; T69-R73 PolarHBondContact O-N 3.46Å
70	Y	97.9	Very high	97.5	Very high	99 Å²	99	65.2 Å²	65.2	39%	0.388	34%	0.344	S	S	.	.	H	α-helix	trans	-49.7	-52.9	171.1	166.6	-100.4	0	0	0	112	N68 K72 R73 T74 E107	N68-Y70 PolarHBondContact O-N 3.1Å; N68-Y70 PolarHBondContact OD1-N 3.18Å; N68-Y70 VanDerWaalsContact OD1-N 3.1Å; Y70-K72 PolarHBondContact O-N 3.27Å; Y70-R73 PolarHBondContact O-N 3.4Å; Y70-T74 PolarHBondContact O-N 3.26Å; Y70-T74 PolarHBondContact O-OG1 2.89Å; Y70-E107 WeakPolarHBondContact CE1-OE2 3.31Å; Y70-E107 PolarHBondContact OH-OE2 3.03Å
71	Y	98.1	Very high	97.5	Very high	53 Å²	53	68.1 Å²	68.1	21%	0.208	36%	0.355	C	S	.	.	H	α-helix	trans	-63	-45.9	-175.4	-60.6	-78.9	0	0	0	111.5	L67 N68 T69 R73 T74 I75 I104 E107 I108 A111	L67-Y71 HydrophobicContact CB-CD2 3.59Å; L67-Y71 HydrophobicContact CB-CE2 4.23Å; L67-Y71 HydrophobicContact CB-CG 4.23Å; L67-Y71 HydrophobicContact CD1-CD2 4.06Å; L67-Y71 HydrophobicContact CD1-CG 4.05Å; L67-Y71 HydrophobicContact CG-CD2 4.44Å; N68-Y71 HydrophobicContact CB-CD2 4.08Å; N68-Y71 HydrophobicContact CB-CE2 4.09Å; N68-Y71 WeakPolarHBondContact O-CD2 3.39Å; N68-Y71 PolarHBondContact O-N 2.96Å; T69-Y71 PolarHBondContact O-N 2.82Å; Y71-R73 VanDerWaalsContact C-N 3.31Å; Y71-R73 PolarHBondContact O-N 3.29Å; Y71-T74 PolarHBondContact O-N 3.39Å; Y71-I75 VanDerWaalsContact O-CG2 3.28Å; Y71-I75 WeakPolarHBondContact O-CG2 3.45Å; Y71-I75 PolarHBondContact O-N 3.28Å; Y71-I104 HydrophobicContact CD1-CD1 4.12Å; Y71-E107 HydrophobicContact CE1-CB 4.12Å; Y71-E107 WeakPolarHBondContact CE1-O 3.44Å; Y71-I108 HydrophobicContact CD1-CG1 4.04Å; Y71-A111 HydrophobicContact CE1-CB 3.94Å; Y71-A111 HydrophobicContact CE2-CB 4.03Å; Y71-A111 WeakPolarHBondContact OH-CB 3.46Å
72	K	97.8	Very high	97.5	Very high	99 Å²	99	65.3 Å²	65.3	43%	0.43	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-37.1	178.4	-170.3	170.2	-173.4	172.1	0	112.6	T64 T69 Y70 I75 K76	T64-K72 WeakPolarHBondContact OG1-CA 3.26Å; T64-K72 WeakPolarHBondContact OG1-CB 3.32Å; T69-K72 PolarHBondContact O-N 2.57Å; Y70-K72 PolarHBondContact O-N 3.27Å; K72-I75 WeakPolarHBondContact O-CG2 3.38Å; K72-K76 VanDerWaalsContact O-CG 3.3Å; K72-K76 WeakPolarHBondContact O-CG 3.34Å
73	R	97.9	Very high	97.5	Very high	149 Å²	149	64.1 Å²	64.1	56%	0.562	33%	0.334	S	S	*	.	H	α-helix	trans	-68.2	-48.8	176.1	-175.5	-177.2	-62	110.5	1.6	110.9	T69 Y70 Y71 K76 I77	T69-R73 WeakPolarHBondContact O-CB 3.24Å; T69-R73 PolarHBondContact O-N 3.46Å; Y70-R73 PolarHBondContact O-N 3.4Å; Y71-R73 VanDerWaalsContact C-N 3.31Å; Y71-R73 PolarHBondContact O-N 3.29Å; R73-K76 PolarHBondContact O-N 3.49Å; R73-I77 HydrophobicContact CG-CD1 4.13Å; R73-I77 WeakPolarHBondContact O-CG1 3.26Å; R73-I77 PolarHBondContact O-N 3.49Å
74	T	98	Very high	97.6	Very high	35 Å²	35	69.8 Å²	69.8	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-67	-43.8	-174.5	-56.5	0	0	0	0	111.6	Y70 Y71 K76 I77 S78 I104	Y70-T74 PolarHBondContact O-N 3.26Å; Y70-T74 PolarHBondContact O-OG1 2.89Å; Y71-T74 PolarHBondContact O-N 3.39Å; T74-K76 VanDerWaalsContact C-N 3.34Å; T74-K76 PolarHBondContact O-N 3.41Å; T74-I77 PolarHBondContact O-N 3.34Å; T74-S78 WeakPolarHBondContact O-CB 3.34Å; T74-S78 PolarHBondContact O-N 3.26Å; T74-S78 PolarHBondContact O-OG 3.05Å; T74-I104 HydrophobicContact CG2-CB 4.24Å; T74-I104 HydrophobicContact CG2-CD1 3.74Å; T74-I104 HydrophobicContact CG2-CG1 3.94Å
75	I	98.2	Very high	97.6	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-39	179.9	-170.2	160.7	0	0	0	112.5	L57 N60 E61 T64 Y71 K72 I77 S78 G79 I104 Y105 I108	L57-I75 HydrophobicContact CD1-CD1 4.23Å; L57-I75 HydrophobicContact CD1-CG1 3.82Å; N60-I75 VanDerWaalsContact C-CD1 3.45Å; N60-I75 HydrophobicContact CB-CD1 3.36Å; E61-I75 HydrophobicContact CB-CD1 4.34Å; E61-I75 HydrophobicContact CB-CG2 4.44Å; E61-I75 HydrophobicContact CG-CG2 4.38Å; T64-I75 HydrophobicContact CG2-CG2 3.96Å; Y71-I75 VanDerWaalsContact O-CG2 3.28Å; Y71-I75 WeakPolarHBondContact O-CG2 3.45Å; Y71-I75 PolarHBondContact O-N 3.28Å; K72-I75 WeakPolarHBondContact O-CG2 3.38Å; I75-I77 PolarHBondContact O-N 2.92Å; I75-S78 PolarHBondContact O-N 2.61Å; I75-G79 PolarHBondContact O-N 3.33Å; I75-I104 HydrophobicContact CB-CG1 4.05Å; I75-Y105 HydrophobicContact CD1-CD1 4.27Å; I75-Y105 HydrophobicContact CD1-CE1 3.87Å; I75-Y105 HydrophobicContact CG1-CE1 4.47Å; I75-I108 HydrophobicContact CB-CD1 4.43Å; I75-I108 HydrophobicContact CD1-CD1 3.66Å
76	K	97.8	Very high	97.7	Very high	96 Å²	96	68.3 Å²	68.3	42%	0.417	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-43.7	176.9	-76.3	-175.9	168.3	-159.3	0	112.2	E61 K72 R73 T74 L80	E61-K76 WeakPolarHBondContact OE1-CE 3.43Å; E61-K76 IonicContact OE1-NZ 3.82Å; K72-K76 VanDerWaalsContact O-CG 3.3Å; K72-K76 WeakPolarHBondContact O-CG 3.34Å; R73-K76 PolarHBondContact O-N 3.49Å; T74-K76 VanDerWaalsContact C-N 3.34Å; T74-K76 PolarHBondContact O-N 3.41Å; K76-L80 WeakPolarHBondContact O-CG 3.23Å; K76-L80 PolarHBondContact O-N 3.5Å; K76-L80 VanDerWaalsContact O-N 3.14Å
77	I	98	Very high	97.8	Very high	108 Å²	108	73.8 Å²	73.8	55%	0.554	34%	0.343	S	S	*	.	H	α-helix	trans	-67.1	-47.3	178.4	-65.1	169	0	0	0	110.4	R73 T74 I75 G79 L80 K81	R73-I77 HydrophobicContact CG-CD1 4.13Å; R73-I77 WeakPolarHBondContact O-CG1 3.26Å; R73-I77 PolarHBondContact O-N 3.49Å; T74-I77 PolarHBondContact O-N 3.34Å; I75-I77 PolarHBondContact O-N 2.92Å; I77-G79 PolarHBondContact O-N 2.63Å; I77-L80 PolarHBondContact O-N 3.38Å; I77-K81 PolarHBondContact O-N 2.94Å
78	S	98	Very high	97.7	Very high	9 Å²	9	74.2 Å²	74.2	6%	0.063	35%	0.349	C	S	.	.	H	α-helix	trans	-63.4	-40	178.9	-67.1	0	0	0	0	112.3	T74 I75 K81 A82	T74-S78 WeakPolarHBondContact O-CB 3.34Å; T74-S78 PolarHBondContact O-N 3.26Å; T74-S78 PolarHBondContact O-OG 3.05Å; I75-S78 PolarHBondContact O-N 2.61Å; S78-K81 PolarHBondContact O-N 3.29Å; S78-A82 WeakPolarHBondContact O-CB 3.27Å; S78-A82 PolarHBondContact O-N 3.39Å
79	G	98.2	Very high	97.7	Very high	2 Å²	2	75.1 Å²	75.1	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-60.9	-47.9	175.9	0	0	0	0	0	112.3	I75 I77 K81 A82 M83	I75-G79 PolarHBondContact O-N 3.33Å; I77-G79 PolarHBondContact O-N 2.63Å; G79-K81 VanDerWaalsContact C-N 3.33Å; G79-K81 PolarHBondContact O-N 2.98Å; G79-A82 PolarHBondContact O-N 3.4Å; G79-M83 WeakPolarHBondContact O-CG 3.49Å; G79-M83 PolarHBondContact O-N 3.36Å
80	L	97.9	Very high	97.6	Very high	119 Å²	119	73.7 Å²	73.7	62%	0.623	34%	0.337	S	S	*	.	H	α-helix	trans	-60.2	-42.2	175.4	-72.9	172.5	0	0	0	112.3	K76 I77 A82 M83 Y84	K76-L80 WeakPolarHBondContact O-CG 3.23Å; K76-L80 PolarHBondContact O-N 3.5Å; K76-L80 VanDerWaalsContact O-N 3.14Å; I77-L80 PolarHBondContact O-N 3.38Å; L80-A82 VanDerWaalsContact C-N 3.35Å; L80-A82 PolarHBondContact O-N 3.15Å; L80-M83 PolarHBondContact O-N 3.43Å; L80-Y84 WeakPolarHBondContact O-CB 3.48Å; L80-Y84 PolarHBondContact O-N 3.38Å
81	K	97.9	Very high	97.4	Very high	76 Å²	76	73.8 Å²	73.8	33%	0.33	34%	0.339	S	S	.	.	H	α-helix	trans	-61.1	-43.4	176.5	-171.3	175.8	-176.4	170.7	0	111.6	I77 S78 G79 Y84 A85 E96 A97	I77-K81 PolarHBondContact O-N 2.94Å; S78-K81 PolarHBondContact O-N 3.29Å; G79-K81 VanDerWaalsContact C-N 3.33Å; G79-K81 PolarHBondContact O-N 2.98Å; K81-Y84 PolarHBondContact O-N 2.84Å; K81-A85 VanDerWaalsContact O-CB 3.23Å; K81-A85 WeakPolarHBondContact O-CB 3.13Å; K81-A85 PolarHBondContact O-N 3.36Å; K81-E96 IonicContact NZ-OE1 3.72Å; K81-E96 PolarHBondContact NZ-OE1 3.18Å; K81-E96 IonicContact NZ-OE2 2.63Å; K81-A97 HydrophobicContact CG-CB 4.16Å
82	A	98.4	Very high	97.4	Very high	0 Å²	0	78.9 Å²	78.9	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-64.6	-44.3	176.8	0	0	0	0	0	112.8	L50 L54 S78 G79 L80 Y84 A85 L86 A97 L101	L50-A82 HydrophobicContact CD1-CB 3.79Å; L54-A82 HydrophobicContact CD1-CB 4.33Å; L54-A82 HydrophobicContact CD2-CB 3.69Å; L54-A82 HydrophobicContact CG-CB 4.1Å; S78-A82 WeakPolarHBondContact O-CB 3.27Å; S78-A82 PolarHBondContact O-N 3.39Å; G79-A82 PolarHBondContact O-N 3.4Å; L80-A82 VanDerWaalsContact C-N 3.35Å; L80-A82 PolarHBondContact O-N 3.15Å; A82-Y84 PolarHBondContact O-N 3.22Å; A82-A85 PolarHBondContact O-N 3.39Å; A82-L86 WeakPolarHBondContact O-CB 3.34Å; A82-L86 PolarHBondContact O-N 3.37Å; A82-A97 HydrophobicContact CB-CB 4.18Å; A82-L101 HydrophobicContact CB-CD2 3.87Å
83	M	98	Very high	97.4	Very high	109 Å²	109	78 Å²	78	54%	0.537	36%	0.359	S	S	.	.	H	α-helix	trans	-60.4	-45	175.9	-68.5	174.6	72.1	0	0	111.8	L54 G79 L80 K87	L54-M83 HydrophobicContact CD1-CG 4.45Å; L54-M83 HydrophobicContact CD2-CG 3.8Å; G79-M83 WeakPolarHBondContact O-CG 3.49Å; G79-M83 PolarHBondContact O-N 3.36Å; L80-M83 PolarHBondContact O-N 3.43Å; M83-K87 WeakPolarHBondContact O-CB 3.32Å; M83-K87 PolarHBondContact O-N 2.93Å; M83-K87 VanDerWaalsContact O-N 3.1Å
84	Y	98.1	Very high	97.4	Very high	151 Å²	151	71 Å²	71	59%	0.592	33%	0.332	S	S	*	.	H	α-helix	trans	-66.4	-42.9	177.9	-177.6	-95.7	0	0	0	112	L80 K81 A82 K87 S88 K93	L80-Y84 WeakPolarHBondContact O-CB 3.48Å; L80-Y84 PolarHBondContact O-N 3.38Å; K81-Y84 PolarHBondContact O-N 2.84Å; A82-Y84 PolarHBondContact O-N 3.22Å; Y84-K87 PolarHBondContact O-N 2.73Å; Y84-S88 WeakPolarHBondContact O-CB 3.36Å; Y84-S88 PolarHBondContact O-N 2.96Å; Y84-S88 PolarHBondContact O-OG 3.02Å; Y84-K93 HydrophobicContact CE1-CD 4.34Å
85	A	98	Very high	97.4	Very high	2 Å²	2	70.9 Å²	70.9	2%	0.017	33%	0.333	C	S	.	.	H	α-helix	trans	-60.3	-48.1	177.4	0	0	0	0	0	111.8	L50 K81 A82 K87 S88 K89 K93 M94 A97	L50-A85 HydrophobicContact CD2-CB 4.22Å; K81-A85 VanDerWaalsContact O-CB 3.23Å; K81-A85 WeakPolarHBondContact O-CB 3.13Å; K81-A85 PolarHBondContact O-N 3.36Å; A82-A85 PolarHBondContact O-N 3.39Å; A85-K87 VanDerWaalsContact C-N 3.31Å; A85-K87 PolarHBondContact O-N 3.41Å; A85-S88 PolarHBondContact O-N 2.96Å; A85-S88 VanDerWaalsContact O-N 3.1Å; A85-S88 PolarHBondContact O-OG 3.45Å; A85-K89 PolarHBondContact O-N 3.1Å; A85-K93 HydrophobicContact CB-CB 3.9Å; A85-K93 WeakPolarHBondContact CB-O 3.45Å; A85-M94 HydrophobicContact CB-CG 4.16Å; A85-M94 WeakPolarHBondContact O-CG 3.48Å; A85-A97 HydrophobicContact CB-CB 3.78Å
86	L	97.5	Very high	97.4	Very high	30 Å²	30	75.1 Å²	75.1	16%	0.157	35%	0.353	C	S	.	.	H	α-helix	trans	-61.9	-39.1	178.6	-174.8	63.5	0	0	0	112.1	A47 L50 K51 L54 A82 S88 K89 M94	A47-L86 HydrophobicContact CB-CD1 3.87Å; L50-L86 HydrophobicContact CD2-CB 3.98Å; K51-L86 HydrophobicContact CB-CD2 4.19Å; K51-L86 HydrophobicContact CD-CD2 3.97Å; L54-L86 HydrophobicContact CD1-CB 4.3Å; L54-L86 HydrophobicContact CD1-CD2 3.75Å; A82-L86 WeakPolarHBondContact O-CB 3.34Å; A82-L86 PolarHBondContact O-N 3.37Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-K89 WeakPolarHBondContact O-CD 3.3Å; L86-K89 PolarHBondContact O-N 3Å; L86-M94 HydrophobicContact CD1-SD 4.12Å
87	K	97.2	Very high	97.4	Very high	182 Å²	182	70.6 Å²	70.6	79%	0.791	33%	0.333	S	S	*	.	H	α-helix	trans	-65	-36.4	174.9	-173.3	177.8	-179.5	179.4	0	112	M83 Y84 A85 K89	M83-K87 WeakPolarHBondContact O-CB 3.32Å; M83-K87 PolarHBondContact O-N 2.93Å; M83-K87 VanDerWaalsContact O-N 3.1Å; Y84-K87 PolarHBondContact O-N 2.73Å; A85-K87 VanDerWaalsContact C-N 3.31Å; A85-K87 PolarHBondContact O-N 3.41Å; K87-K89 VanDerWaalsContact C-N 3.32Å; K87-K89 PolarHBondContact O-N 3.1Å
88	S	96.3	Very high	97.4	Very high	43 Å²	43	67.7 Å²	67.7	30%	0.301	32%	0.317	S	S	.	.	H	α-helix	trans	-74.9	-17.6	-178	71.9	0	0	0	0	114.7	Y84 A85 L86 D90	Y84-S88 WeakPolarHBondContact O-CB 3.36Å; Y84-S88 PolarHBondContact O-N 2.96Å; Y84-S88 PolarHBondContact O-OG 3.02Å; A85-S88 PolarHBondContact O-N 2.96Å; A85-S88 VanDerWaalsContact O-N 3.1Å; A85-S88 PolarHBondContact O-OG 3.45Å; L86-S88 VanDerWaalsContact C-N 3.32Å; S88-D90 PolarHBondContact O-N 3.45Å
89	K	94.3	Very high	97.4	Very high	123 Å²	123	74.9 Å²	74.9	54%	0.535	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	19	-175.4	-57.5	-64	-177.9	-178.2	0	114.5	N43 A85 L86 K87	N43-K89 PolarHBondContact ND2-O 3.43Å; A85-K89 PolarHBondContact O-N 3.1Å; L86-K89 WeakPolarHBondContact O-CD 3.3Å; L86-K89 PolarHBondContact O-N 3Å; K87-K89 VanDerWaalsContact C-N 3.32Å; K87-K89 PolarHBondContact O-N 3.1Å
90	D	95.3	Very high	97.4	Very high	63 Å²	63	78.6 Å²	78.6	34%	0.337	36%	0.361	S	S	.	.			trans	-84.6	117.8	177.1	179.6	-65.5	0	0	0	109.6	S88 K92 K93 M94	S88-D90 PolarHBondContact O-N 3.45Å; D90-K92 VanDerWaalsContact C-N 3.28Å; D90-K92 PolarHBondContact O-N 3.36Å; D90-K92 WeakPolarHBondContact OD1-CA 3.11Å; D90-K92 WeakPolarHBondContact OD1-CB 3.32Å; D90-K92 PolarHBondContact OD1-N 3.49Å; D90-K93 HydrophobicContact CB-CB 4.12Å; D90-K93 HydrophobicContact CB-CD 4.03Å; D90-K93 HydrophobicContact CB-CG 4.13Å; D90-K93 PolarHBondContact O-N 2.98Å; D90-K93 PolarHBondContact OD1-N 3.33Å; D90-M94 WeakPolarHBondContact O-CB 3.47Å; D90-M94 WeakPolarHBondContact O-CG 3.37Å; D90-M94 PolarHBondContact O-N 3.5Å
91	F	95.4	Very high	97.4	Very high	100 Å²	100	73 Å²	73	44%	0.439	33%	0.331	S	S	.	.	H	α-helix	trans	-55.9	-42.3	-176.5	-174.6	-89	0	0	0	112.5	Q42 L46 M94 S95	Q42-F91 HydrophobicContact CB-CE2 4.27Å; L46-F91 HydrophobicContact CB-CE2 4.26Å; L46-F91 HydrophobicContact CD2-CD1 4.35Å; L46-F91 HydrophobicContact CD2-CD2 3.54Å; L46-F91 HydrophobicContact CD2-CE1 4.37Å; L46-F91 HydrophobicContact CD2-CE2 3.56Å; L46-F91 HydrophobicContact CD2-CG 3.96Å; L46-F91 HydrophobicContact CD2-CZ 3.99Å; L46-F91 WeakPolarHBondContact CD2-O 3.28Å; F91-M94 PolarHBondContact O-N 3.22Å; F91-S95 VanDerWaalsContact O-CB 3.31Å; F91-S95 WeakPolarHBondContact O-CB 3.01Å; F91-S95 PolarHBondContact O-N 2.93Å
92	K	96.9	Very high	97.4	Very high	161 Å²	161	72.7 Å²	72.7	70%	0.7	33%	0.331	S	S	*	.	H	α-helix	trans	-66.1	-47.2	-178.1	179	178.3	176.7	178.6	0	110.7	D90 S95 E96	D90-K92 VanDerWaalsContact C-N 3.28Å; D90-K92 PolarHBondContact O-N 3.36Å; D90-K92 WeakPolarHBondContact OD1-CA 3.11Å; D90-K92 WeakPolarHBondContact OD1-CB 3.32Å; D90-K92 PolarHBondContact OD1-N 3.49Å; K92-S95 PolarHBondContact O-N 3.32Å; K92-E96 WeakPolarHBondContact O-CB 3.33Å; K92-E96 PolarHBondContact O-N 3.25Å
93	K	98	Very high	97.4	Very high	81 Å²	81	78.4 Å²	78.4	35%	0.352	36%	0.356	S	S	.	.	H	α-helix	trans	-63.8	-41.9	177.8	-66.4	-180	-173.9	170.6	0	111.4	Y84 A85 D90 A97	Y84-K93 HydrophobicContact CE1-CD 4.34Å; A85-K93 HydrophobicContact CB-CB 3.9Å; A85-K93 WeakPolarHBondContact CB-O 3.45Å; D90-K93 HydrophobicContact CB-CB 4.12Å; D90-K93 HydrophobicContact CB-CD 4.03Å; D90-K93 HydrophobicContact CB-CG 4.13Å; D90-K93 PolarHBondContact O-N 2.98Å; D90-K93 PolarHBondContact OD1-N 3.33Å; K93-A97 VanDerWaalsContact O-CB 3.26Å; K93-A97 WeakPolarHBondContact O-CB 3.12Å; K93-A97 PolarHBondContact O-N 2.64Å
94	M	98.1	Very high	97.4	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-65.5	-43.1	179	-71.8	-168.9	-64.3	0	0	111.9	N43 L46 A47 L50 A85 L86 D90 F91 A97 K98	N43-M94 WeakPolarHBondContact OD1-CE 3.16Å; L46-M94 HydrophobicContact CD2-CB 3.81Å; L46-M94 HydrophobicContact CG-CB 3.95Å; A47-M94 HydrophobicContact CB-CE 4.42Å; A47-M94 HydrophobicContact CB-SD 3.96Å; L50-M94 HydrophobicContact CD2-CB 3.91Å; L50-M94 HydrophobicContact CD2-CG 3.81Å; A85-M94 HydrophobicContact CB-CG 4.16Å; A85-M94 WeakPolarHBondContact O-CG 3.48Å; L86-M94 HydrophobicContact CD1-SD 4.12Å; D90-M94 WeakPolarHBondContact O-CB 3.47Å; D90-M94 WeakPolarHBondContact O-CG 3.37Å; D90-M94 PolarHBondContact O-N 3.5Å; F91-M94 PolarHBondContact O-N 3.22Å; M94-A97 PolarHBondContact O-N 3.08Å; M94-K98 WeakPolarHBondContact O-CB 2.85Å; M94-K98 PolarHBondContact O-N 3.37Å
95	S	97.5	Very high	97.4	Very high	34 Å²	34	66.5 Å²	66.5	24%	0.238	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-50.1	177.9	-174.5	0	0	0	0	110.8	F91 K92 A97 K98 Y99	F91-S95 VanDerWaalsContact O-CB 3.31Å; F91-S95 WeakPolarHBondContact O-CB 3.01Å; F91-S95 PolarHBondContact O-N 2.93Å; K92-S95 PolarHBondContact O-N 3.32Å; S95-A97 PolarHBondContact O-N 2.93Å; S95-K98 WeakPolarHBondContact O-CB 3.24Å; S95-K98 PolarHBondContact O-N 2.99Å; S95-Y99 WeakPolarHBondContact O-CD2 3.47Å; S95-Y99 PolarHBondContact O-N 3.3Å
96	E	97.9	Very high	97.4	Very high	89 Å²	89	70.2 Å²	70.2	42%	0.416	32%	0.324	S	S	.	.	H	α-helix	trans	-59.8	-45.1	178.4	-170.4	-174.4	168.4	0	0	111.9	K81 K92 Y99 Q100	K81-E96 IonicContact NZ-OE1 3.72Å; K81-E96 PolarHBondContact NZ-OE1 3.18Å; K81-E96 IonicContact NZ-OE2 2.63Å; K92-E96 WeakPolarHBondContact O-CB 3.33Å; K92-E96 PolarHBondContact O-N 3.25Å; E96-Y99 PolarHBondContact O-N 3.09Å; E96-Q100 VanDerWaalsContact O-CG 3.23Å; E96-Q100 WeakPolarHBondContact O-CG 3.23Å; E96-Q100 PolarHBondContact O-N 2.96Å; E96-Q100 VanDerWaalsContact O-N 3.1Å
97	A	98.4	Very high	97.5	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-67.2	-37.2	179.5	0	0	0	0	0	112.8	L50 K81 A82 A85 K93 M94 S95 Q100 L101	L50-A97 HydrophobicContact CD1-CB 4.41Å; K81-A97 HydrophobicContact CG-CB 4.16Å; A82-A97 HydrophobicContact CB-CB 4.18Å; A85-A97 HydrophobicContact CB-CB 3.78Å; K93-A97 VanDerWaalsContact O-CB 3.26Å; K93-A97 WeakPolarHBondContact O-CB 3.12Å; K93-A97 PolarHBondContact O-N 2.64Å; M94-A97 PolarHBondContact O-N 3.08Å; S95-A97 PolarHBondContact O-N 2.93Å; A97-Q100 PolarHBondContact O-N 3.24Å; A97-L101 WeakPolarHBondContact O-CB 3.45Å; A97-L101 PolarHBondContact O-N 2.99Å
98	K	98.2	Very high	97.5	Very high	47 Å²	47	62.5 Å²	62.5	20%	0.204	29%	0.29	C	S	.	.	H	α-helix	trans	-56.8	-51	174.6	179.3	-170.6	171.5	-172.9	0	110.9	L46 E49 L50 L53 M94 S95 Q100 L101 Q102	L46-K98 HydrophobicContact CD1-CD 3.78Å; E49-K98 HydrophobicContact CB-CD 4.27Å; E49-K98 VanDerWaalsContact CD-NZ 3.27Å; E49-K98 IonicContact OE1-NZ 2.63Å; E49-K98 IonicContact OE2-NZ 2.57Å; E49-K98 PolarHBondContact OE2-NZ 3.26Å; L50-K98 HydrophobicContact CD1-CB 4.16Å; L53-K98 HydrophobicContact CD1-CG 3.83Å; M94-K98 WeakPolarHBondContact O-CB 2.85Å; M94-K98 PolarHBondContact O-N 3.37Å; S95-K98 WeakPolarHBondContact O-CB 3.24Å; S95-K98 PolarHBondContact O-N 2.99Å; K98-Q100 PolarHBondContact O-N 3.5Å; K98-L101 PolarHBondContact O-N 3.45Å; K98-Q102 VanDerWaalsContact O-CB 3.32Å; K98-Q102 WeakPolarHBondContact O-CB 3.49Å; K98-Q102 PolarHBondContact O-N 3.22Å
99	Y	97.8	Very high	97.6	Very high	160 Å²	160	64 Å²	64	63%	0.627	29%	0.294	S	S	*	.	H	α-helix	trans	-64.2	-41	179.4	-74.3	-70	0	0	0	112.5	S95 E96 K103	S95-Y99 WeakPolarHBondContact O-CD2 3.47Å; S95-Y99 PolarHBondContact O-N 3.3Å; E96-Y99 PolarHBondContact O-N 3.09Å; Y99-K103 VanDerWaalsContact O-CB 3.24Å; Y99-K103 WeakPolarHBondContact O-CB 3.39Å; Y99-K103 PolarHBondContact O-N 3.21Å
100	Q	97.6	Very high	97.7	Very high	81 Å²	81	63.5 Å²	63.5	38%	0.379	29%	0.294	S	S	.	.	H	α-helix	trans	-64.8	-41.4	178.3	-69.4	-73.6	7.3	0	0	112.3	E96 A97 K98 I104	E96-Q100 VanDerWaalsContact O-CG 3.23Å; E96-Q100 WeakPolarHBondContact O-CG 3.23Å; E96-Q100 PolarHBondContact O-N 2.96Å; E96-Q100 VanDerWaalsContact O-N 3.1Å; A97-Q100 PolarHBondContact O-N 3.24Å; K98-Q100 PolarHBondContact O-N 3.5Å; Q100-I104 PolarHBondContact O-N 3.27Å
101	L	98.3	Very high	97.8	Very high	0 Å²	0	61 Å²	61	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-71.1	-44.1	179	-171.9	57.6	0	0	0	111.6	L53 L54 L57 A82 A97 K98 K103 I104 Y105	L53-L101 HydrophobicContact CB-CD2 3.68Å; L53-L101 HydrophobicContact CB-CG 4.28Å; L53-L101 HydrophobicContact CD1-CB 4.48Å; L54-L101 HydrophobicContact CD2-CD2 4.23Å; L54-L101 HydrophobicContact CG-CD2 4.43Å; L57-L101 HydrophobicContact CD1-CD1 4.01Å; A82-L101 HydrophobicContact CB-CD2 3.87Å; A97-L101 WeakPolarHBondContact O-CB 3.45Å; A97-L101 PolarHBondContact O-N 2.99Å; K98-L101 PolarHBondContact O-N 3.45Å; L101-K103 VanDerWaalsContact C-N 3.29Å; L101-K103 PolarHBondContact O-N 3.28Å; L101-I104 HydrophobicContact CD1-CG2 4.11Å; L101-I104 WeakPolarHBondContact O-CG2 3.49Å; L101-I104 PolarHBondContact O-N 3.41Å; L101-Y105 HydrophobicContact CD1-CD1 4.27Å; L101-Y105 HydrophobicContact CD1-CE1 3.53Å; L101-Y105 HydrophobicContact CG-CE1 3.99Å; L101-Y105 HydrophobicContact CG-CE2 4.25Å; L101-Y105 WeakPolarHBondContact O-CD1 3.49Å; L101-Y105 PolarHBondContact O-N 3.32Å; L101-Y105 VanDerWaalsContact O-N 3.09Å
102	Q	98.3	Very high	97.9	Very high	71 Å²	71	58.6 Å²	58.6	33%	0.332	27%	0.273	S	S	.	.	H	α-helix	trans	-60.4	-40.2	174.6	-174.8	66.9	66.8	0	0	111.9	L53 K98 I104 Y105 N106	L53-Q102 HydrophobicContact CD1-CB 4.37Å; K98-Q102 VanDerWaalsContact O-CB 3.32Å; K98-Q102 WeakPolarHBondContact O-CB 3.49Å; K98-Q102 PolarHBondContact O-N 3.22Å; Q102-I104 PolarHBondContact O-N 2.93Å; Q102-Y105 PolarHBondContact O-N 2.98Å; Q102-N106 PolarHBondContact NE2-OD1 3.12Å; Q102-N106 VanDerWaalsContact O-CG 3.24Å; Q102-N106 PolarHBondContact O-N 3.07Å; Q102-N106 PolarHBondContact O-OD1 2.99Å
103	K	98.2	Very high	97.8	Very high	120 Å²	120	57 Å²	57	52%	0.522	27%	0.266	S	S	.	.	H	α-helix	trans	-60.3	-46.9	179.1	-179.7	177.7	173	-176.5	0	111.3	Y99 L101 Y105 N106 E107	Y99-K103 VanDerWaalsContact O-CB 3.24Å; Y99-K103 WeakPolarHBondContact O-CB 3.39Å; Y99-K103 PolarHBondContact O-N 3.21Å; L101-K103 VanDerWaalsContact C-N 3.29Å; L101-K103 PolarHBondContact O-N 3.28Å; K103-Y105 VanDerWaalsContact C-N 3.34Å; K103-Y105 PolarHBondContact O-N 3.07Å; K103-N106 PolarHBondContact O-N 3.35Å; K103-E107 WeakPolarHBondContact CE-OE1 3.38Å; K103-E107 WeakPolarHBondContact O-CG 3.48Å; K103-E107 PolarHBondContact O-N 3.03Å
104	I	98.4	Very high	97.7	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-68.9	-32.2	179	-172.6	57.3	0	0	0	112.1	Y71 T74 I75 Q100 L101 Q102 E107 I108	Y71-I104 HydrophobicContact CD1-CD1 4.12Å; T74-I104 HydrophobicContact CG2-CB 4.24Å; T74-I104 HydrophobicContact CG2-CD1 3.74Å; T74-I104 HydrophobicContact CG2-CG1 3.94Å; I75-I104 HydrophobicContact CB-CG1 4.05Å; Q100-I104 PolarHBondContact O-N 3.27Å; L101-I104 HydrophobicContact CD1-CG2 4.11Å; L101-I104 WeakPolarHBondContact O-CG2 3.49Å; L101-I104 PolarHBondContact O-N 3.41Å; Q102-I104 PolarHBondContact O-N 2.93Å; I104-E107 HydrophobicContact CD1-CB 4.26Å; I104-E107 PolarHBondContact O-N 3.46Å; I104-I108 HydrophobicContact CD1-CD1 4.47Å; I104-I108 HydrophobicContact CD1-CG1 4.36Å; I104-I108 HydrophobicContact CG1-CD1 4.03Å; I104-I108 HydrophobicContact CG1-CG1 4.42Å; I104-I108 WeakPolarHBondContact O-CB 3.31Å; I104-I108 WeakPolarHBondContact O-CD1 3.33Å; I104-I108 VanDerWaalsContact O-CG1 3.23Å; I104-I108 WeakPolarHBondContact O-CG1 3.5Å; I104-I108 PolarHBondContact O-N 3.34Å
105	Y	98.4	Very high	97.3	Very high	7 Å²	7	62.7 Å²	62.7	3%	0.027	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-48.4	171.7	-70.2	0.1	0	0	0	111.3	L53 E56 L57 N60 I75 L101 Q102 K103 E107 I108 D109	L53-Y105 HydrophobicContact CB-CE2 4.13Å; L53-Y105 HydrophobicContact CD2-CD2 3.99Å; L53-Y105 HydrophobicContact CD2-CE2 3.9Å; L53-Y105 PolarHBondContact O-OH 3.04Å; E56-Y105 HydrophobicContact CB-CE2 4.39Å; L57-Y105 WeakPolarHBondContact CA-OH 3.48Å; L57-Y105 PolarHBondContact N-OH 2.9Å; N60-Y105 HydrophobicContact CB-CD1 3.75Å; N60-Y105 HydrophobicContact CB-CE1 3.51Å; N60-Y105 VanDerWaalsContact CG-CD1 3.47Å; I75-Y105 HydrophobicContact CD1-CD1 4.27Å; I75-Y105 HydrophobicContact CD1-CE1 3.87Å; I75-Y105 HydrophobicContact CG1-CE1 4.47Å; L101-Y105 HydrophobicContact CD1-CD1 4.27Å; L101-Y105 HydrophobicContact CD1-CE1 3.53Å; L101-Y105 HydrophobicContact CG-CE1 3.99Å; L101-Y105 HydrophobicContact CG-CE2 4.25Å; L101-Y105 WeakPolarHBondContact O-CD1 3.49Å; L101-Y105 PolarHBondContact O-N 3.32Å; L101-Y105 VanDerWaalsContact O-N 3.09Å; Q102-Y105 PolarHBondContact O-N 2.98Å; K103-Y105 VanDerWaalsContact C-N 3.34Å; K103-Y105 PolarHBondContact O-N 3.07Å; Y105-E107 VanDerWaalsContact C-N 3.31Å; Y105-E107 PolarHBondContact O-N 3.08Å; Y105-I108 WeakPolarHBondContact O-CB 3.32Å; Y105-I108 PolarHBondContact O-N 2.74Å; Y105-I108 VanDerWaalsContact O-N 3.12Å; Y105-D109 PolarHBondContact O-N 3.11Å
106	N	98.2	Very high	96.5	Very high	81 Å²	81	72.9 Å²	72.9	43%	0.433	34%	0.338	S	S	.	.	H	α-helix	trans	-61.1	-39.9	177	-62.3	-5	0	0	0	112	Q102 K103 I108 D109 E110	Q102-N106 PolarHBondContact NE2-OD1 3.12Å; Q102-N106 VanDerWaalsContact O-CG 3.24Å; Q102-N106 PolarHBondContact O-N 3.07Å; Q102-N106 PolarHBondContact O-OD1 2.99Å; K103-N106 PolarHBondContact O-N 3.35Å; N106-I108 VanDerWaalsContact C-N 3.34Å; N106-D109 PolarHBondContact O-N 2.89Å; N106-E110 WeakPolarHBondContact O-CG 3.39Å; N106-E110 PolarHBondContact O-N 3.45Å
107	E	98	Very high	96.4	Very high	50 Å²	50	72.1 Å²	72.1	23%	0.234	34%	0.335	C	S	.	.	H	α-helix	trans	-64.9	-36.3	176	-76.2	179.7	-155.9	0	0	112.5	Y70 Y71 K103 I104 Y105 A111	Y70-E107 WeakPolarHBondContact CE1-OE2 3.31Å; Y70-E107 PolarHBondContact OH-OE2 3.03Å; Y71-E107 HydrophobicContact CE1-CB 4.12Å; Y71-E107 WeakPolarHBondContact CE1-O 3.44Å; K103-E107 WeakPolarHBondContact CE-OE1 3.38Å; K103-E107 WeakPolarHBondContact O-CG 3.48Å; K103-E107 PolarHBondContact O-N 3.03Å; I104-E107 HydrophobicContact CD1-CB 4.26Å; I104-E107 PolarHBondContact O-N 3.46Å; Y105-E107 VanDerWaalsContact C-N 3.31Å; Y105-E107 PolarHBondContact O-N 3.08Å; E107-A111 WeakPolarHBondContact O-CB 3.34Å; E107-A111 PolarHBondContact O-N 2.95Å
108	I	98	Very high	96.3	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-67.3	-46	174.4	-71.5	164.3	0	0	0	110.3	N60 A63 T64 L67 Y71 I75 I104 Y105 N106 E110 A111 L112	N60-I108 HydrophobicContact CB-CD1 4.34Å; A63-I108 HydrophobicContact CB-CG2 4.3Å; T64-I108 HydrophobicContact CG2-CD1 3.54Å; T64-I108 HydrophobicContact CG2-CG1 3.99Å; L67-I108 HydrophobicContact CD1-CG1 4.43Å; L67-I108 HydrophobicContact CD1-CG2 4.06Å; Y71-I108 HydrophobicContact CD1-CG1 4.04Å; I75-I108 HydrophobicContact CB-CD1 4.43Å; I75-I108 HydrophobicContact CD1-CD1 3.66Å; I104-I108 HydrophobicContact CD1-CD1 4.47Å; I104-I108 HydrophobicContact CD1-CG1 4.36Å; I104-I108 HydrophobicContact CG1-CD1 4.03Å; I104-I108 HydrophobicContact CG1-CG1 4.42Å; I104-I108 WeakPolarHBondContact O-CB 3.31Å; I104-I108 WeakPolarHBondContact O-CD1 3.33Å; I104-I108 VanDerWaalsContact O-CG1 3.23Å; I104-I108 WeakPolarHBondContact O-CG1 3.5Å; I104-I108 PolarHBondContact O-N 3.34Å; Y105-I108 WeakPolarHBondContact O-CB 3.32Å; Y105-I108 PolarHBondContact O-N 2.74Å; Y105-I108 VanDerWaalsContact O-N 3.12Å; N106-I108 VanDerWaalsContact C-N 3.34Å; I108-E110 PolarHBondContact O-N 3.49Å; I108-A111 WeakPolarHBondContact O-CB 3.46Å; I108-A111 PolarHBondContact O-N 3.37Å; I108-L112 HydrophobicContact CG2-CD1 3.84Å; I108-L112 HydrophobicContact CG2-CG 4.35Å; I108-L112 VanDerWaalsContact O-CG 3.32Å; I108-L112 WeakPolarHBondContact O-CG 3.49Å; I108-L112 PolarHBondContact O-N 3.19Å
109	D	97.5	Very high	96.2	Very high	74 Å²	74	77.4 Å²	77.4	40%	0.396	36%	0.36	S	S	.	.	H	α-helix	trans	-58.9	-46.4	178.1	-75	-18.9	0	0	0	111.9	Y105 N106 A111 L112 K113	Y105-D109 PolarHBondContact O-N 3.11Å; N106-D109 PolarHBondContact O-N 2.89Å; D109-A111 VanDerWaalsContact C-N 3.34Å; D109-A111 PolarHBondContact O-N 2.92Å; D109-L112 PolarHBondContact O-N 3.16Å; D109-K113 VanDerWaalsContact O-CG 3.31Å; D109-K113 WeakPolarHBondContact O-CG 3.4Å; D109-K113 PolarHBondContact O-N 3.33Å
110	E	97.7	Very high	96.1	Very high	112 Å²	112	72.6 Å²	72.6	52%	0.523	35%	0.345	S	S	.	.	H	α-helix	trans	-65	-38.1	176.9	-68.5	-55.3	128.4	0	0	112	N106 I108 L112 K113 S114	N106-E110 WeakPolarHBondContact O-CG 3.39Å; N106-E110 PolarHBondContact O-N 3.45Å; I108-E110 PolarHBondContact O-N 3.49Å; E110-L112 PolarHBondContact O-N 3.42Å; E110-K113 PolarHBondContact O-N 3.5Å; E110-K113 IonicContact OE1-NZ 2.71Å; E110-K113 PolarHBondContact OE1-NZ 3.24Å; E110-S114 PolarHBondContact O-N 2.71Å; E110-S114 VanDerWaalsContact O-N 3.11Å
111	A	97.3	Very high	96	Very high	10 Å²	10	72.1 Å²	72.1	8%	0.083	34%	0.343	C	S	.	.	H	α-helix	trans	-63.7	-41.1	175.1	0	0	0	0	0	112	L67 Y71 E107 I108 D109 S114	L67-A111 HydrophobicContact CD1-CB 3.91Å; L67-A111 HydrophobicContact CD2-CB 4.01Å; Y71-A111 HydrophobicContact CE1-CB 3.94Å; Y71-A111 HydrophobicContact CE2-CB 4.03Å; Y71-A111 WeakPolarHBondContact OH-CB 3.46Å; E107-A111 WeakPolarHBondContact O-CB 3.34Å; E107-A111 PolarHBondContact O-N 2.95Å; I108-A111 WeakPolarHBondContact O-CB 3.46Å; I108-A111 PolarHBondContact O-N 3.37Å; D109-A111 VanDerWaalsContact C-N 3.34Å; D109-A111 PolarHBondContact O-N 2.92Å; A111-S114 PolarHBondContact O-N 3.33Å; A111-S114 PolarHBondContact O-OG 3.35Å
112	L	96.6	Very high	95.8	Very high	50 Å²	50	76.9 Å²	76.9	26%	0.262	37%	0.365	S	S	.	.	H	α-helix	trans	-67.7	-41.5	176.8	-69.9	170	0	0	0	112	A63 L67 I108 D109 E110 S114 K115	A63-L112 HydrophobicContact CB-CD1 4.21Å; L67-L112 HydrophobicContact CD1-CD2 4.45Å; L67-L112 HydrophobicContact CD1-CG 4.41Å; L67-L112 HydrophobicContact CD2-CD2 4Å; L67-L112 HydrophobicContact CD2-CG 4.48Å; L67-L112 HydrophobicContact CG-CD2 4.39Å; I108-L112 HydrophobicContact CG2-CD1 3.84Å; I108-L112 HydrophobicContact CG2-CG 4.35Å; I108-L112 VanDerWaalsContact O-CG 3.32Å; I108-L112 WeakPolarHBondContact O-CG 3.49Å; I108-L112 PolarHBondContact O-N 3.19Å; D109-L112 PolarHBondContact O-N 3.16Å; E110-L112 PolarHBondContact O-N 3.42Å; L112-S114 PolarHBondContact O-N 3.32Å; L112-K115 WeakPolarHBondContact O-CB 3.31Å; L112-K115 PolarHBondContact O-N 3.03Å; L112-K115 VanDerWaalsContact O-N 3.16Å
113	K	96.2	Very high	95.7	Very high	128 Å²	128	77.3 Å²	77.3	56%	0.557	37%	0.368	S	S	*	.	H	α-helix	trans	-59.1	-34.9	174.3	-73.6	173.1	-164.9	167.5	0	112.4	D109 E110 K115	D109-K113 VanDerWaalsContact O-CG 3.31Å; D109-K113 WeakPolarHBondContact O-CG 3.4Å; D109-K113 PolarHBondContact O-N 3.33Å; E110-K113 PolarHBondContact O-N 3.5Å; E110-K113 IonicContact OE1-NZ 2.71Å; E110-K113 PolarHBondContact OE1-NZ 3.24Å; K113-K115 PolarHBondContact O-N 3.41Å
114	S	94.2	Very high	95.5	Very high	99 Å²	99	74 Å²	74	69%	0.692	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-8	180	74.4	0	0	0	0	114.9	E110 A111 L112	E110-S114 PolarHBondContact O-N 2.71Å; E110-S114 VanDerWaalsContact O-N 3.11Å; A111-S114 PolarHBondContact O-N 3.33Å; A111-S114 PolarHBondContact O-OG 3.35Å; L112-S114 PolarHBondContact O-N 3.32Å
115	K	89.8	Confident	95.2	Very high	101 Å²	101	80 Å²	80	44%	0.439	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-17.5	-175.8	-169.2	170.3	-179.5	170	0	113.5	S66 L112 K113	S66-K115 PolarHBondContact O-NZ 3.36Å; S66-K115 VanDerWaalsContact O-NZ 3.08Å; S66-K115 PolarHBondContact OG-NZ 2.9Å; L112-K115 WeakPolarHBondContact O-CB 3.31Å; L112-K115 PolarHBondContact O-N 3.03Å; L112-K115 VanDerWaalsContact O-N 3.16Å; K113-K115 PolarHBondContact O-N 3.41Å
116	Y	80.8	Confident	94.9	Very high	248 Å²	248	86.6 Å²	86.6	97%	0.973	42%	0.417	S	S	*	.			trans	-125.8	0	-177.1	-60.1	-75.1	0	0	0	110.3

Retrieved 116 of 116 residues in 452.3 ms (Link to these results)

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