A0A060W0B2_ONCMY Loading...

Transcription factor SOX

AlphaFold DB , UniProt , Accession A0A060W0B2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene sox11a, Length 357 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.4	Very low	43.5	Very low	237 Å²	237	156.5 Å²	156.5	100%	1.167	83%	0.829	S	S	*	*				0	76.1	0	-75.7	151	171.4	0	0	106.1
2	V	36.9	Very low	43.1	Very low	128 Å²	128	149.7 Å²	149.7	78%	0.776	82%	0.823	S	S	*	*				60.7	86.4	105.5	-172.4	0	0	0	0	109.8
3	Q	42.8	Very low	42.9	Very low	156 Å²	156	146.5 Å²	146.5	73%	0.729	82%	0.818	S	S	*	*				71.2	130.2	95.6	-75.4	178.6	0.9	0	0	111.7
4	H	38.3	Very low	42.7	Very low	145 Å²	145	146.8 Å²	146.8	67%	0.671	81%	0.813	S	S	*	*			cis	-163.3	138.3	35.8	-89.4	-67.5	0	0	0	108.2
5	T	45.8	Very low	42.6	Very low	110 Å²	110	144.6 Å²	144.6	68%	0.675	81%	0.812	S	S	*	*				51.3	136.5	89.5	71.7	0	0	0	0	114.1
6	D	46.6	Very low	42.8	Very low	151 Å²	151	148.7 Å²	148.7	81%	0.807	81%	0.811	S	S	*	*			cis	-165.1	165.7	21.2	-105.1	-46.2	0	0	0	110.7
7	N	44.7	Very low	42.4	Very low	158 Å²	158	151.2 Å²	151.2	85%	0.845	82%	0.815	S	S	*	*			trans	-69.7	153	165.1	-81.2	2.6	0	0	0	112.5
8	S	42.7	Very low	42.6	Very low	115 Å²	115	148.2 Å²	148.2	80%	0.804	82%	0.815	S	S	*	*			trans	-152	113.4	150.9	61.8	0	0	0	0	111.8
9	E	45	Very low	42.6	Very low	187 Å²	187	147 Å²	147	87%	0.874	81%	0.813	S	S	*	*			trans	-73.9	140.9	162	-60.1	171.3	128	0	0	109.5
10	T	45.7	Very low	42.5	Very low	140 Å²	140	144.9 Å²	144.9	86%	0.859	80%	0.8	S	S	*	*			trans	-152.7	112.1	152.4	33.1	0	0	0	0	110.4
11	E	44.3	Very low	42.7	Very low	195 Å²	195	143.8 Å²	143.8	91%	0.911	80%	0.802	S	S	*	*			trans	-34.7	142.2	151.8	-67	-84.4	137.9	0	0	113.4
12	G	39.5	Very low	42.7	Very low	74 Å²	74	140.8 Å²	140.8	76%	0.763	79%	0.786	S	S	*	*			trans	-174	66.7	179.4	0	0	0	0	0	113.5	M14	G12-M14 PolarHBondContact O-N 2.97Å
13	S	40.5	Very low	43.3	Very low	108 Å²	108	142.5 Å²	142.5	76%	0.755	79%	0.785	S	S	*	*			trans	-44.6	122.7	163.8	179.5	0	0	0	0	112.6
14	M	39.9	Very low	43.5	Very low	151 Å²	151	140.8 Å²	140.8	74%	0.744	79%	0.79	S	S	*	*			trans	-149	94.6	148.7	-82.9	-154.4	158.2	0	0	109.2	G12 R16	G12-M14 PolarHBondContact O-N 2.97Å; M14-R16 PolarHBondContact O-N 2.92Å
15	S	40.6	Very low	43.9	Very low	114 Å²	114	143.6 Å²	143.6	80%	0.797	80%	0.804	S	S	*	*			trans	-52.3	126.1	156	-51.1	0	0	0	0	109.4
16	R	46.1	Very low	44	Very low	210 Å²	210	147.5 Å²	147.5	79%	0.792	81%	0.812	S	S	*	*			trans	-136.3	126.4	159.2	-65.1	-170	178.4	-158.5	-1.4	108.5	M14	M14-R16 PolarHBondContact O-N 2.92Å
17	E	36.4	Very low	44.4	Very low	191 Å²	191	149.3 Å²	149.3	89%	0.893	82%	0.817	S	S	*	*			trans	-67.4	165.9	-165.8	-65.5	-178.7	115.2	0	0	113.9
18	A	45.5	Very low	44.2	Very low	97 Å²	97	146.2 Å²	146.2	80%	0.802	81%	0.814	S	S	*	*			trans	-49.6	135.7	170.5	0	0	0	0	0	113.3
19	T	43.5	Very low	44	Very low	126 Å²	126	147.2 Å²	147.2	77%	0.773	82%	0.82	S	S	*	*			trans	-133.2	97	146.2	57.5	0	0	0	0	103.7
20	D	40.7	Very low	44	Very low	104 Å²	104	142.5 Å²	142.5	56%	0.556	81%	0.807	S	S	*	*				52.8	103.4	93.8	-165	28.4	0	0	0	111.2	E22	D20-E22 WeakPolarHBondContact OD1-CG 3.2Å
21	S	45.4	Very low	44.3	Very low	122 Å²	122	141.2 Å²	141.2	85%	0.853	80%	0.801	S	S	*	*			trans	-148.4	57.7	169.8	-79.1	0	0	0	0	106.7
22	E	46.3	Very low	44.3	Very low	175 Å²	175	137.1 Å²	137.1	82%	0.818	79%	0.789	S	S	*	*			trans	-114.9	55.6	163.5	56.1	177.4	145	0	0	110.5	D20	D20-E22 WeakPolarHBondContact OD1-CG 3.2Å
23	E	49.5	Very low	44.7	Very low	164 Å²	164	138.1 Å²	138.1	77%	0.766	78%	0.782	S	S	*	*			trans	-144.1	73	168.2	55.9	178.1	145	0	0	112
24	S	46.3	Very low	45.3	Very low	120 Å²	120	139.8 Å²	139.8	84%	0.839	78%	0.781	S	S	*	*			trans	-147.6	25.6	160.8	109.6	0	0	0	0	114.9
25	E	47	Very low	46	Very low	203 Å²	203	137.3 Å²	137.3	95%	0.949	77%	0.771	S	S	*	*			trans	-110.9	45.4	163.2	-84.9	-172.1	155.6	0	0	110.8
26	F	47.8	Very low	46.8	Very low	193 Å²	193	135 Å²	135	85%	0.846	75%	0.754	S	S	*	*			trans	-126.1	64.5	168.9	-163.3	-94.7	0	0	0	110.2
27	M	55.2	Low	47.8	Very low	188 Å²	188	129.2 Å²	129.2	93%	0.926	74%	0.738	S	S	*	*			trans	-177.7	81.1	154.9	-109.9	178.2	174.7	0	0	110.7
28	A	40.8	Very low	49.9	Very low	93 Å²	93	123.1 Å²	123.1	77%	0.769	71%	0.707	S	S	*	*			trans	-161.5	74.3	146.2	0	0	0	0	0	107.5	S30	A28-S30 PolarHBondContact O-N 3.38Å
29	C	39.2	Very low	51.7	Low	137 Å²	137	118.8 Å²	118.8	93%	0.926	67%	0.671	S	S	*	*			trans	-60	86.3	145.6	-98.1	0	0	0	0	105.3
30	S	43.1	Very low	53.9	Low	87 Å²	87	116.7 Å²	116.7	61%	0.608	65%	0.651	S	S	*	*			trans	-44	127.2	163.1	-177.3	0	0	0	0	105.7	A28 V32	A28-S30 PolarHBondContact O-N 3.38Å; S30-V32 PolarHBondContact O-N 3.4Å
31	P	52.4	Low	56.1	Low	114 Å²	114	114 Å²	114	74%	0.74	64%	0.638	S	S	*	*			trans	-60.2	99	175.3	23.9	-30.1	0	0	0	105.6	P33	P31-P33 VanDerWaalsContact O-CD 3.25Å; P31-P33 WeakPolarHBondContact O-CD 3.47Å
32	V	45.7	Very low	58	Low	109 Å²	109	113.8 Å²	113.8	66%	0.661	64%	0.644	S	S	*	*			trans	-51.8	115.2	168.6	-178.3	0	0	0	0	102.7	S30 I34	S30-V32 PolarHBondContact O-N 3.4Å; V32-I34 PolarHBondContact O-N 2.91Å
33	P	46.7	Very low	59.9	Low	95 Å²	95	111.4 Å²	111.4	62%	0.617	64%	0.641	S	S	*	*			trans	-52.8	118.6	-179.6	18.8	-29.2	0	0	0	105.2	P31 N35	P31-P33 VanDerWaalsContact O-CD 3.25Å; P31-P33 WeakPolarHBondContact O-CD 3.47Å; P33-N35 WeakPolarHBondContact O-CA 3.38Å; P33-N35 PolarHBondContact O-N 2.86Å; P33-N35 PolarHBondContact O-OD1 3.03Å
34	I	52.7	Low	61.8	Low	143 Å²	143	106.3 Å²	106.3	73%	0.733	63%	0.633	S	S	*	*			trans	-54.3	99.8	179.5	-66.4	167.6	0	0	0	104.4	V32 P36	V32-I34 PolarHBondContact O-N 2.91Å; I34-P36 WeakPolarHBondContact O-CD 3.36Å
35	N	55.8	Low	63.9	Low	98 Å²	98	105.3 Å²	105.3	52%	0.524	62%	0.615	S	S	.	*			trans	-58.7	120.2	-163.5	-77.7	-49.8	0	0	0	107.1	P33 D37	P33-N35 WeakPolarHBondContact O-CA 3.38Å; P33-N35 PolarHBondContact O-N 2.86Å; P33-N35 PolarHBondContact O-OD1 3.03Å; N35-D37 PolarHBondContact O-N 2.92Å
36	P	57.8	Low	66.2	Low	67 Å²	67	97.6 Å²	97.6	44%	0.435	58%	0.58	S	S	.	*	G	3₁₀ helix	trans	-58.8	-12.8	177.1	-22.9	32.8	0	0	0	112.1	I34 W38 Y110	I34-P36 WeakPolarHBondContact O-CD 3.36Å; P36-W38 PolarHBondContact O-N 3.1Å; P36-Y110 PolarHBondContact O-OH 2.91Å
37	D	66.7	Low	68.4	Low	87 Å²	87	93.7 Å²	93.7	47%	0.465	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-80.6	4.9	-167.2	-58	-27.5	0	0	0	114.9	N35 C39 K40	N35-D37 PolarHBondContact O-N 2.92Å; D37-C39 PolarHBondContact O-N 3.31Å; D37-K40 HydrophobicContact CB-CB 4.33Å; D37-K40 PolarHBondContact O-N 3.23Å; D37-K40 WeakPolarHBondContact OD1-CD 3.4Å; D37-K40 IonicContact OD1-NZ 3.51Å
38	W	79.3	Confident	70.4	Confident	64 Å²	64	92.3 Å²	92.3	24%	0.242	55%	0.547	C	S	.	.	G	3₁₀ helix	trans	-53.4	-23.9	174.6	73.4	-88.3	0	0	0	113.3	P36 P49 L102 K105 H106 D109	P36-W38 PolarHBondContact O-N 3.1Å; W38-P49 HydrophobicContact CH2-CB 4.48Å; W38-L102 HydrophobicContact CE3-CD2 4.48Å; W38-L102 HydrophobicContact CH2-CD2 4.22Å; W38-L102 HydrophobicContact CZ3-CD2 3.84Å; W38-K105 HydrophobicContact CZ2-CB 4.31Å; W38-K105 HydrophobicContact CZ2-CD 4.1Å; W38-K105 HydrophobicContact CZ2-CG 3.98Å; W38-H106 HydrophobicContact CH2-CB 3.91Å; W38-H106 HydrophobicContact CZ2-CB 4.01Å; W38-D109 PolarHBondContact NE1-OD2 3.13Å
39	C	84.8	Confident	73.1	Confident	5 Å²	5	89.5 Å²	89.5	3%	0.034	52%	0.521	C	S	.	.	G	3₁₀ helix	trans	-113.3	-7.4	172.6	-90.4	0	0	0	0	115.5	D37 I46 K47 H106 Y110	D37-C39 PolarHBondContact O-N 3.31Å; C39-I46 HydrophobicContact CB-CG2 4.35Å; C39-I46 CarbonylContact O-C 3.42Å; C39-I46 WeakPolarHBondContact O-CA 3.35Å; C39-K47 WeakPolarHBondContact O-CB 3.22Å; C39-K47 PolarHBondContact O-N 2.61Å; C39-H106 PolarHBondContact SG-ND1 2.81Å; C39-Y110 HydrophobicContact CB-CE2 3.93Å
40	K	88.8	Confident	75.8	Confident	83 Å²	83	85.6 Å²	85.6	36%	0.361	49%	0.49	S	S	.	.	B	Isolated β-bridge	trans	-93.5	133	-177.1	-73.4	162.3	178.4	-179.2	0	110.5	D37 I46 Y110	D37-K40 HydrophobicContact CB-CB 4.33Å; D37-K40 PolarHBondContact O-N 3.23Å; D37-K40 WeakPolarHBondContact OD1-CD 3.4Å; D37-K40 IonicContact OD1-NZ 3.51Å; K40-I46 HydrophobicContact CG-CG1 3.98Å; K40-Y110 HydrophobicContact CD-CE1 4.25Å; K40-Y110 WeakPolarHBondContact CD-OH 3.13Å; K40-Y110 WeakPolarHBondContact CE-OH 3.32Å; K40-Y110 HydrophobicContact CG-CE1 4.19Å; K40-Y110 VanDerWaalsContact CG-OH 3.31Å; K40-Y110 WeakPolarHBondContact CG-OH 3.47Å
41	T	87	Confident	78.4	Confident	46 Å²	46	85.4 Å²	85.4	28%	0.282	48%	0.482	S	S	.	.			trans	-79	160.5	166.1	57	0	0	0	0	110.3	T43 G44 H45 K47	T41-T43 PolarHBondContact O-N 2.9Å; T41-T43 PolarHBondContact OG1-OG1 2.99Å; T41-G44 WeakPolarHBondContact O-CA 3.42Å; T41-G44 PolarHBondContact O-N 3.48Å; T41-H45 PolarHBondContact N-O 3.05Å; T41-H45 WeakPolarHBondContact OG1-CB 3.42Å; T41-H45 PolarHBondContact OG1-N 3.05Å; T41-H45 VanDerWaalsContact OG1-N 3.13Å; T41-H45 PolarHBondContact OG1-O 3.05Å; T41-H45 VanDerWaalsContact OG1-O 3.08Å; T41-K47 HydrophobicContact CG2-CD 3.77Å; T41-K47 HydrophobicContact CG2-CG 3.82Å
42	A	85.4	Confident	80.6	Confident	119 Å²	119	80.7 Å²	80.7	98%	0.983	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-19.4	171.7	0	0	0	0	0	113.8	G44	A42-G44 VanDerWaalsContact C-N 3.26Å; A42-G44 PolarHBondContact O-N 3.29Å
43	T	86.8	Confident	83.1	Confident	124 Å²	124	77.9 Å²	77.9	76%	0.761	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	4.3	174.2	59.5	0	0	0	0	113.9	T41 H45	T41-T43 PolarHBondContact O-N 2.9Å; T41-T43 PolarHBondContact OG1-OG1 2.99Å; T43-H45 PolarHBondContact O-N 3.38Å
44	G	89	Confident	85.5	Confident	58 Å²	58	77.7 Å²	77.7	60%	0.598	42%	0.424	S	S	*	.	S	Bend	trans	74.6	5.5	-174.7	0	0	0	0	0	114.3	T41 A42	T41-G44 WeakPolarHBondContact O-CA 3.42Å; T41-G44 PolarHBondContact O-N 3.48Å; A42-G44 VanDerWaalsContact C-N 3.26Å; A42-G44 PolarHBondContact O-N 3.29Å
45	H	91.1	Very high	87.7	Confident	99 Å²	99	71.1 Å²	71.1	46%	0.458	39%	0.39	S	S	.	.			trans	-81.4	123.9	178.2	174.8	59.8	0	0	0	111.1	T41 T43 K47	T41-H45 PolarHBondContact N-O 3.05Å; T41-H45 WeakPolarHBondContact OG1-CB 3.42Å; T41-H45 PolarHBondContact OG1-N 3.05Å; T41-H45 VanDerWaalsContact OG1-N 3.13Å; T41-H45 PolarHBondContact OG1-O 3.05Å; T41-H45 VanDerWaalsContact OG1-O 3.08Å; T43-H45 PolarHBondContact O-N 3.38Å; H45-K47 PolarHBondContact O-N 2.97Å
46	I	94.2	Very high	89.7	Confident	40 Å²	40	67 Å²	67	21%	0.205	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-78.4	115.2	174.5	-60.7	158.2	0	0	0	109.3	C39 K40 H106 Y110 Y113	C39-I46 HydrophobicContact CB-CG2 4.35Å; C39-I46 CarbonylContact O-C 3.42Å; C39-I46 WeakPolarHBondContact O-CA 3.35Å; K40-I46 HydrophobicContact CG-CG1 3.98Å; I46-H106 WeakPolarHBondContact CG2-CE1 3.46Å; I46-Y110 HydrophobicContact CD1-CD1 3.32Å; I46-Y110 HydrophobicContact CD1-CE1 3.62Å; I46-Y110 HydrophobicContact CD1-CG 4.11Å; I46-Y110 HydrophobicContact CG1-CD1 3.89Å; I46-Y110 HydrophobicContact CG1-CE1 3.73Å; I46-Y110 HydrophobicContact CG2-CD1 4.17Å; I46-Y110 HydrophobicContact CG2-CD2 4.09Å; I46-Y110 HydrophobicContact CG2-CE1 4.3Å; I46-Y110 HydrophobicContact CG2-CE2 4.28Å; I46-Y110 HydrophobicContact CG2-CG 4.04Å; I46-Y113 HydrophobicContact CB-CD2 3.97Å; I46-Y113 HydrophobicContact CB-CE2 4.05Å; I46-Y113 HydrophobicContact CG2-CD2 3.56Å; I46-Y113 HydrophobicContact CG2-CE2 3.74Å; I46-Y113 WeakPolarHBondContact O-CE2 2.95Å
47	K	95.1	Very high	91.6	Very high	111 Å²	111	63.9 Å²	63.9	48%	0.483	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-72.9	157	174.6	-65.4	172.5	66.4	-175.1	0	110.3	C39 T41 H45 H106	C39-K47 WeakPolarHBondContact O-CB 3.22Å; C39-K47 PolarHBondContact O-N 2.61Å; T41-K47 HydrophobicContact CG2-CD 3.77Å; T41-K47 HydrophobicContact CG2-CG 3.82Å; H45-K47 PolarHBondContact O-N 2.97Å; K47-H106 PolarHBondContact O-CE1 3.41Å
48	R	96.5	Very high	93	Very high	160 Å²	160	61.4 Å²	61.4	60%	0.604	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-67.4	146.4	173.6	-63.1	171.9	66.3	-152	-1.1	110.4	Y113 Y115	R48-Y113 WeakPolarHBondContact CG-OH 3.31Å; R48-Y115 HydrophobicContact CG-CD2 4.45Å
49	P	96.4	Very high	93.8	Very high	33 Å²	33	59.5 Å²	59.5	21%	0.214	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-62.6	148.6	167.7	27.3	-32.8	0	0	0	110.1	W38 L102 H106	W38-P49 HydrophobicContact CH2-CB 4.48Å; P49-L102 HydrophobicContact CB-CB 4.43Å; P49-H106 HydrophobicContact CB-CB 4Å; P49-H106 HydrophobicContact CG-CB 4.02Å
50	M	96.7	Very high	94.3	Very high	55 Å²	55	60.1 Å²	60.1	27%	0.271	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-69.3	133.6	178.3	-68.7	-171.9	-69.4	0	0	110.1	M54 V55 L102 V354	M50-M54 HydrophobicContact CB-CB 3.95Å; M50-M54 HydrophobicContact CG-CB 4.24Å; M50-V55 HydrophobicContact CB-CG2 3.77Å; M50-V55 HydrophobicContact CE-CG2 4.48Å; M50-L102 HydrophobicContact CB-CD1 4.23Å; M50-L102 HydrophobicContact CE-CD1 4.15Å; M50-V354 HydrophobicContact CE-CG1 3.78Å; M50-V354 HydrophobicContact CE-CG2 4.08Å
51	N	98.3	Very high	94.7	Very high	83 Å²	83	58.8 Å²	58.8	44%	0.444	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-78.8	172.3	169.5	71.6	20.2	0	0	0	110.8	F53 M54 V55 A99	N51-F53 VanDerWaalsContact C-N 3.33Å; N51-F53 PolarHBondContact O-N 2.83Å; N51-F53 PolarHBondContact OD1-N 2.77Å; N51-M54 PolarHBondContact O-N 3.45Å; N51-M54 WeakPolarHBondContact OD1-CB 3.33Å; N51-M54 WeakPolarHBondContact OD1-CG 3.19Å; N51-M54 PolarHBondContact OD1-N 3.11Å; N51-V55 WeakPolarHBondContact O-CG2 3.27Å; N51-V55 PolarHBondContact O-N 3.18Å; N51-A99 VanDerWaalsContact C-CB 3.48Å
52	A	97.7	Very high	95.2	Very high	16 Å²	16	61.3 Å²	61.3	13%	0.132	33%	0.326	C	S	.	.	H	α-helix	trans	-53.5	-47	-176.3	0	0	0	0	0	113	M54 V55 W56 W84 F95 I96 A99	A52-M54 VanDerWaalsContact C-N 3.34Å; A52-M54 PolarHBondContact O-N 3.39Å; A52-V55 PolarHBondContact O-N 3.25Å; A52-W56 WeakPolarHBondContact O-CB 3.2Å; A52-W56 PolarHBondContact O-N 3.35Å; A52-W84 HydrophobicContact CB-CH2 4.12Å; A52-W84 HydrophobicContact CB-CZ2 4.17Å; A52-F95 WeakPolarHBondContact CA-O 3.07Å; A52-F95 HydrophobicContact CB-CB 4.41Å; A52-I96 HydrophobicContact CB-CB 4.47Å; A52-I96 HydrophobicContact CB-CG1 3.85Å; A52-A99 HydrophobicContact CB-CB 4.08Å
53	F	98.3	Very high	95.7	Very high	50 Å²	50	60.4 Å²	60.4	22%	0.219	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-39.7	176.7	173.2	-98.3	0	0	0	112.5	N51 W56 S57 L80 W84	N51-F53 VanDerWaalsContact C-N 3.33Å; N51-F53 PolarHBondContact O-N 2.83Å; N51-F53 PolarHBondContact OD1-N 2.77Å; F53-W56 AromaticContact CD2-CE3 3.96Å; F53-W56 HydrophobicContact CD2-CE3 3.96Å; F53-W56 HydrophobicContact CD2-CZ3 4.12Å; F53-W56 HydrophobicContact CE2-CE3 4.03Å; F53-W56 AromaticContact CE2-CZ3 3.77Å; F53-W56 HydrophobicContact CE2-CZ3 3.77Å; F53-S57 WeakPolarHBondContact O-CA 3.47Å; F53-S57 WeakPolarHBondContact O-CB 3.45Å; F53-S57 PolarHBondContact O-N 2.91Å; F53-S57 PolarHBondContact O-OG 3.38Å; F53-L80 HydrophobicContact CZ-CB 4.48Å; F53-W84 HydrophobicContact CD2-CB 3.77Å; F53-W84 AromaticContact CD2-CD1 3.85Å; F53-W84 AromaticContact CD2-CD2 3.92Å; F53-W84 HydrophobicContact CD2-CD2 3.92Å; F53-W84 AromaticContact CD2-CG 3.55Å; F53-W84 HydrophobicContact CD2-CG 3.55Å; F53-W84 HydrophobicContact CE2-CB 3.87Å; F53-W84 HydrophobicContact CE2-CG 4.17Å
54	M	97.9	Very high	96	Very high	91 Å²	91	55.7 Å²	55.7	45%	0.448	27%	0.269	S	S	.	.	H	α-helix	trans	-68.4	-37.2	179.1	-70.1	-63.9	175	0	0	111.7	M50 N51 A52 S57 K58	M50-M54 HydrophobicContact CB-CB 3.95Å; M50-M54 HydrophobicContact CG-CB 4.24Å; N51-M54 PolarHBondContact O-N 3.45Å; N51-M54 WeakPolarHBondContact OD1-CB 3.33Å; N51-M54 WeakPolarHBondContact OD1-CG 3.19Å; N51-M54 PolarHBondContact OD1-N 3.11Å; A52-M54 VanDerWaalsContact C-N 3.34Å; A52-M54 PolarHBondContact O-N 3.39Å; M54-S57 WeakPolarHBondContact CA-OG 3.32Å; M54-S57 PolarHBondContact O-OG 2.73Å; M54-K58 PolarHBondContact O-N 3.16Å
55	V	97.5	Very high	96.3	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.024	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-55.9	173	178	0	0	0	0	109.9	M50 N51 A52 S57 K58 F95 E98 A99 L102	M50-V55 HydrophobicContact CB-CG2 3.77Å; M50-V55 HydrophobicContact CE-CG2 4.48Å; N51-V55 WeakPolarHBondContact O-CG2 3.27Å; N51-V55 PolarHBondContact O-N 3.18Å; A52-V55 PolarHBondContact O-N 3.25Å; V55-S57 PolarHBondContact O-N 3.19Å; V55-K58 WeakPolarHBondContact O-CB 2.92Å; V55-K58 PolarHBondContact O-N 3.36Å; V55-F95 HydrophobicContact CG1-CD1 4.16Å; V55-E98 HydrophobicContact CG1-CB 4.46Å; V55-E98 HydrophobicContact CG1-CG 3.92Å; V55-A99 HydrophobicContact CG2-CB 4.4Å; V55-L102 HydrophobicContact CG2-CD1 3.79Å
56	W	98.1	Very high	96.4	Very high	13 Å²	13	60.1 Å²	60.1	5%	0.049	28%	0.276	C	S	.	.	H	α-helix	trans	-59.5	-48.6	180	171.4	77.7	0	0	0	112.8	A52 F53 K58 I59 E60 L80 R83 W84 L87 F95	A52-W56 WeakPolarHBondContact O-CB 3.2Å; A52-W56 PolarHBondContact O-N 3.35Å; F53-W56 AromaticContact CD2-CE3 3.96Å; F53-W56 HydrophobicContact CD2-CE3 3.96Å; F53-W56 HydrophobicContact CD2-CZ3 4.12Å; F53-W56 HydrophobicContact CE2-CE3 4.03Å; F53-W56 AromaticContact CE2-CZ3 3.77Å; F53-W56 HydrophobicContact CE2-CZ3 3.77Å; W56-K58 PolarHBondContact O-N 3.48Å; W56-I59 PolarHBondContact O-N 2.94Å; W56-I59 VanDerWaalsContact O-N 3.13Å; W56-E60 HydrophobicContact CH2-CB 4.49Å; W56-E60 HydrophobicContact CH2-CG 4.27Å; W56-E60 HydrophobicContact CZ2-CB 4.12Å; W56-E60 HydrophobicContact CZ2-CG 3.88Å; W56-E60 PolarHBondContact O-N 3.1Å; W56-E60 VanDerWaalsContact O-N 3.09Å; W56-L80 HydrophobicContact CH2-CB 4.2Å; W56-L80 HydrophobicContact CH2-CD2 3.84Å; W56-L80 VanDerWaalsContact CH2-O 3.3Å; W56-L80 WeakPolarHBondContact CH2-O 3.31Å; W56-L80 HydrophobicContact CZ3-CB 3.93Å; W56-L80 HydrophobicContact CZ3-CD2 4.12Å; W56-L80 VanDerWaalsContact CZ3-O 3.28Å; W56-L80 WeakPolarHBondContact CZ3-O 3.47Å; W56-R83 HydrophobicContact CH2-CB 3.98Å; W56-R83 HydrophobicContact CH2-CG 4.15Å; W56-R83 HydrophobicContact CZ2-CB 4.38Å; W56-R83 HydrophobicContact CZ2-CG 4.03Å; W56-W84 HydrophobicContact CB-CE3 4.02Å; W56-W84 HydrophobicContact CB-CH2 4.49Å; W56-W84 HydrophobicContact CB-CZ3 3.61Å; W56-W84 AromaticContact CD2-CE3 3.46Å; W56-W84 HydrophobicContact CD2-CE3 3.46Å; W56-W84 VanDerWaalsContact CD2-CE3 3.46Å; W56-W84 AromaticContact CD2-CZ3 3.93Å; W56-W84 HydrophobicContact CD2-CZ3 3.93Å; W56-W84 HydrophobicContact CE3-CB 4.09Å; W56-W84 HydrophobicContact CE3-CD2 4.19Å; W56-W84 AromaticContact CE3-CE3 3.52Å; W56-W84 HydrophobicContact CE3-CE3 3.52Å; W56-W84 HydrophobicContact CE3-CG 4.45Å; W56-W84 HydrophobicContact CE3-CZ3 4.32Å; W56-W84 AromaticContact CG-CE3 3.68Å; W56-W84 HydrophobicContact CG-CE3 3.68Å; W56-W84 AromaticContact CG-CZ3 3.6Å; W56-W84 HydrophobicContact CG-CZ3 3.6Å; W56-W84 HydrophobicContact CH2-CB 4.03Å; W56-W84 HydrophobicContact CZ3-CB 3.63Å; W56-W84 HydrophobicContact CZ3-CE3 4.21Å; W56-W84 HydrophobicContact CZ3-CG 4.45Å; W56-L87 HydrophobicContact CD2-CD1 4.34Å; W56-L87 HydrophobicContact CZ2-CD1 3.83Å; W56-F95 HydrophobicContact CB-CB 4.27Å; W56-F95 HydrophobicContact CB-CD1 3.75Å; W56-F95 HydrophobicContact CB-CD2 4.13Å; W56-F95 HydrophobicContact CB-CE1 4.13Å; W56-F95 HydrophobicContact CB-CE2 4.49Å; W56-F95 HydrophobicContact CB-CG 3.76Å; W56-F95 HydrophobicContact CB-CZ 4.5Å; W56-F95 AromaticContact CD1-CD2 3.88Å; W56-F95 AromaticContact CD1-CE1 3.96Å; W56-F95 AromaticContact CD1-CE2 3.49Å; W56-F95 VanDerWaalsContact CD1-CE2 3.49Å; W56-F95 AromaticContact CD1-CZ 3.55Å; W56-F95 HydrophobicContact CG-CD1 4.49Å; W56-F95 HydrophobicContact CG-CD2 4.31Å; W56-F95 HydrophobicContact CG-CE1 4.48Å; W56-F95 HydrophobicContact CG-CE2 4.32Å; W56-F95 HydrophobicContact CG-CG 4.41Å; W56-F95 HydrophobicContact CG-CZ 4.42Å
57	S	97.8	Very high	96.4	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-22.2	-177.6	66.3	0	0	0	0	112.9	F53 M54 V55 R61	F53-S57 WeakPolarHBondContact O-CA 3.47Å; F53-S57 WeakPolarHBondContact O-CB 3.45Å; F53-S57 PolarHBondContact O-N 2.91Å; F53-S57 PolarHBondContact O-OG 3.38Å; M54-S57 WeakPolarHBondContact CA-OG 3.32Å; M54-S57 PolarHBondContact O-OG 2.73Å; V55-S57 PolarHBondContact O-N 3.19Å; S57-R61 WeakPolarHBondContact O-CA 3.38Å; S57-R61 WeakPolarHBondContact O-CB 3.4Å; S57-R61 PolarHBondContact O-N 3.09Å
58	K	96.6	Very high	96.2	Very high	35 Å²	35	62.4 Å²	62.4	15%	0.152	29%	0.293	C	S	.	.	H	α-helix	trans	-63.1	-45.5	173.3	-168	-177.1	-175.1	-167.4	0	110.6	M54 V55 W56 R62 L353	M54-K58 PolarHBondContact O-N 3.16Å; V55-K58 WeakPolarHBondContact O-CB 2.92Å; V55-K58 PolarHBondContact O-N 3.36Å; W56-K58 PolarHBondContact O-N 3.48Å; K58-R62 PolarHBondContact O-N 3.45Å; K58-L353 VanDerWaalsContact CE-O 3.27Å; K58-L353 WeakPolarHBondContact CE-O 3.16Å; K58-L353 PolarHBondContact NZ-O 3.36Å
59	I	95.4	Very high	95.9	Very high	24 Å²	24	59.8 Å²	59.8	12%	0.123	30%	0.296	C	S	.	.	H	α-helix	trans	-67.5	-52.5	179.6	-47.8	-173	0	0	0	109.7	W56 R61 R62 K63 F95 F350 L353	W56-I59 PolarHBondContact O-N 2.94Å; W56-I59 VanDerWaalsContact O-N 3.13Å; I59-R61 PolarHBondContact O-N 2.83Å; I59-R62 WeakPolarHBondContact O-CB 3.48Å; I59-R62 PolarHBondContact O-N 3.29Å; I59-K63 PolarHBondContact O-N 2.66Å; I59-F95 HydrophobicContact CD1-CE1 3.97Å; I59-F350 HydrophobicContact CD1-CD1 3.74Å; I59-F350 HydrophobicContact CD1-CE1 3.96Å; I59-L353 HydrophobicContact CB-CD2 3.91Å; I59-L353 HydrophobicContact CD1-CD2 3.97Å; I59-L353 HydrophobicContact CG1-CD2 3.54Å; I59-L353 HydrophobicContact CG2-CD2 3.61Å
60	E	96.6	Very high	95.8	Very high	19 Å²	19	65.9 Å²	65.9	9%	0.089	33%	0.327	C	S	.	.	H	α-helix	trans	-70.8	-34.6	-173.2	-164.3	65.8	-167.1	0	0	112.4	W56 R62 K63 I64 L80 R83	W56-E60 HydrophobicContact CH2-CB 4.49Å; W56-E60 HydrophobicContact CH2-CG 4.27Å; W56-E60 HydrophobicContact CZ2-CB 4.12Å; W56-E60 HydrophobicContact CZ2-CG 3.88Å; W56-E60 PolarHBondContact O-N 3.1Å; W56-E60 VanDerWaalsContact O-N 3.09Å; E60-R62 VanDerWaalsContact C-N 3.31Å; E60-R62 PolarHBondContact O-N 3.22Å; E60-K63 PolarHBondContact O-N 3.15Å; E60-K63 IonicContact OE2-NZ 3.76Å; E60-I64 WeakPolarHBondContact O-CG1 3.44Å; E60-I64 PolarHBondContact O-N 3.28Å; E60-I64 VanDerWaalsContact O-N 3.1Å; E60-L80 HydrophobicContact CB-CD2 3.55Å; E60-L80 HydrophobicContact CG-CD2 3.24Å; E60-R83 IonicContact OE1-CZ 3.91Å; E60-R83 VanDerWaalsContact OE1-CZ 3.27Å; E60-R83 IonicContact OE1-NE 3.27Å; E60-R83 IonicContact OE1-NH1 3.89Å; E60-R83 PolarHBondContact OE1-NH1 3.29Å
61	R	97.1	Very high	95.7	Very high	55 Å²	55	65.9 Å²	65.9	21%	0.208	33%	0.327	C	S	.	.	H	α-helix	trans	-59.8	-43	171.9	-179.7	-175.6	-71	111.5	1.4	111.1	S57 I59 I64 M65 N73 I76 L80	S57-R61 WeakPolarHBondContact O-CA 3.38Å; S57-R61 WeakPolarHBondContact O-CB 3.4Å; S57-R61 PolarHBondContact O-N 3.09Å; I59-R61 PolarHBondContact O-N 2.83Å; R61-I64 PolarHBondContact O-N 3.28Å; R61-M65 HydrophobicContact CG-CG 4.34Å; R61-M65 HydrophobicContact CG-SD 3.86Å; R61-M65 VanDerWaalsContact O-CG 3.32Å; R61-M65 WeakPolarHBondContact O-CG 3.5Å; R61-M65 PolarHBondContact O-N 3.21Å; R61-N73 WeakPolarHBondContact CD-ND2 3.48Å; R61-N73 PolarHBondContact NE-ND2 2.88Å; R61-I76 HydrophobicContact CB-CG2 4.34Å; R61-I76 HydrophobicContact CG-CG2 4.01Å; R61-L80 HydrophobicContact CB-CD1 3.8Å
62	R	95.9	Very high	95.6	Very high	99 Å²	99	68.5 Å²	68.5	37%	0.374	34%	0.336	S	S	.	.	H	α-helix	trans	-61.3	-45.8	179.3	-167.1	-174.9	-59.6	121	-7.9	110.8	K58 I59 E60 I64 M65 E66 L353	K58-R62 PolarHBondContact O-N 3.45Å; I59-R62 WeakPolarHBondContact O-CB 3.48Å; I59-R62 PolarHBondContact O-N 3.29Å; E60-R62 VanDerWaalsContact C-N 3.31Å; E60-R62 PolarHBondContact O-N 3.22Å; R62-I64 VanDerWaalsContact C-N 3.32Å; R62-I64 PolarHBondContact O-N 3.33Å; R62-M65 PolarHBondContact O-N 3.45Å; R62-M65 VanDerWaalsContact O-N 3.16Å; R62-E66 WeakPolarHBondContact O-CB 3.25Å; R62-E66 PolarHBondContact O-N 2.69Å; R62-L353 VanDerWaalsContact NH1-CG 3.26Å
63	K	96.1	Very high	95.4	Very high	99 Å²	99	71.2 Å²	71.2	43%	0.43	35%	0.348	S	S	.	.	H	α-helix	trans	-56.6	-43.6	175.9	-66.6	178.6	-179.8	176.5	0	112.5	I59 E60 E66 Q67	I59-K63 PolarHBondContact O-N 2.66Å; E60-K63 PolarHBondContact O-N 3.15Å; E60-K63 IonicContact OE2-NZ 3.76Å; K63-E66 PolarHBondContact O-N 3.38Å; K63-Q67 WeakPolarHBondContact O-CG 3.15Å; K63-Q67 PolarHBondContact O-N 3.12Å; K63-Q67 VanDerWaalsContact O-N 3.11Å
64	I	94.4	Very high	95.3	Very high	26 Å²	26	71.2 Å²	71.2	13%	0.133	36%	0.358	C	S	.	.	H	α-helix	trans	-69	-39.8	178.4	-64.8	168.9	0	0	0	111.4	E60 R61 R62 E66 Q67 S68 I76 L80	E60-I64 WeakPolarHBondContact O-CG1 3.44Å; E60-I64 PolarHBondContact O-N 3.28Å; E60-I64 VanDerWaalsContact O-N 3.1Å; R61-I64 PolarHBondContact O-N 3.28Å; R62-I64 VanDerWaalsContact C-N 3.32Å; R62-I64 PolarHBondContact O-N 3.33Å; I64-E66 VanDerWaalsContact C-N 3.29Å; I64-E66 PolarHBondContact O-N 2.8Å; I64-Q67 PolarHBondContact O-N 3.34Å; I64-S68 PolarHBondContact O-N 3.21Å; I64-I76 HydrophobicContact CB-CG2 4.16Å; I64-I76 HydrophobicContact CD1-CG2 3.88Å; I64-I76 HydrophobicContact CG2-CD1 4.03Å; I64-I76 HydrophobicContact CG2-CG1 3.9Å; I64-I76 HydrophobicContact CG2-CG2 4.08Å; I64-L80 HydrophobicContact CD1-CD2 3.73Å; I64-L80 HydrophobicContact CD1-CG 4.24Å
65	M	94.1	Very high	95.3	Very high	93 Å²	93	70 Å²	70	46%	0.458	35%	0.351	S	S	.	.	H	α-helix	trans	-66.5	-32.5	177.5	-72.4	178	61	0	0	112.3	R61 R62 S68 P69 I76	R61-M65 HydrophobicContact CG-CG 4.34Å; R61-M65 HydrophobicContact CG-SD 3.86Å; R61-M65 VanDerWaalsContact O-CG 3.32Å; R61-M65 WeakPolarHBondContact O-CG 3.5Å; R61-M65 PolarHBondContact O-N 3.21Å; R62-M65 PolarHBondContact O-N 3.45Å; R62-M65 VanDerWaalsContact O-N 3.16Å; M65-S68 CarbonylContact O-C 3.58Å; M65-P69 WeakPolarHBondContact O-CA 3.39Å; M65-P69 VanDerWaalsContact O-N 3.16Å; M65-I76 HydrophobicContact CG-CD1 3.59Å
66	E	94.5	Very high	95.2	Very high	157 Å²	157	69.8 Å²	69.8	73%	0.734	35%	0.35	S	S	*	.	H	α-helix	trans	-70	-40.9	174.9	-174.7	170.6	-158.9	0	0	111.9	R62 K63 I64	R62-E66 WeakPolarHBondContact O-CB 3.25Å; R62-E66 PolarHBondContact O-N 2.69Å; K63-E66 PolarHBondContact O-N 3.38Å; I64-E66 VanDerWaalsContact C-N 3.29Å; I64-E66 PolarHBondContact O-N 2.8Å
67	Q	93.8	Very high	95.2	Very high	152 Å²	152	71.1 Å²	71.1	71%	0.71	36%	0.361	S	S	*	.	H	α-helix	trans	-76.4	-26	176.7	-67.5	171.3	23.8	0	0	113.6	K63 I64	K63-Q67 WeakPolarHBondContact O-CG 3.15Å; K63-Q67 PolarHBondContact O-N 3.12Å; K63-Q67 VanDerWaalsContact O-N 3.11Å; I64-Q67 PolarHBondContact O-N 3.34Å
68	S	89.8	Confident	95.2	Very high	47 Å²	47	77 Å²	77	33%	0.329	39%	0.386	S	S	.	.			trans	-147.7	77.8	-174.2	-64.1	0	0	0	0	109.8	I64 M65 D70 M71	I64-S68 PolarHBondContact O-N 3.21Å; M65-S68 CarbonylContact O-C 3.58Å; S68-D70 PolarHBondContact O-N 3.09Å; S68-M71 VanDerWaalsContact O-CB 3.27Å; S68-M71 WeakPolarHBondContact O-CB 2.93Å; S68-M71 PolarHBondContact O-N 3.46Å; S68-M71 VanDerWaalsContact O-N 3.09Å
69	P	91.5	Very high	95.3	Very high	104 Å²	104	81 Å²	81	68%	0.675	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.7	-174.8	24	-34	0	0	0	113.3	M65 M71	M65-P69 WeakPolarHBondContact O-CA 3.39Å; M65-P69 VanDerWaalsContact O-N 3.16Å; P69-M71 VanDerWaalsContact C-N 3.29Å; P69-M71 PolarHBondContact O-N 3.18Å
70	D	94	Very high	95.4	Very high	161 Å²	161	80 Å²	80	86%	0.861	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-6	179.7	-60.3	-28.7	0	0	0	113.5	S68 H72	S68-D70 PolarHBondContact O-N 3.09Å; D70-H72 PolarHBondContact O-N 2.67Å
71	M	93.8	Very high	95.5	Very high	55 Å²	55	80.7 Å²	80.7	27%	0.271	41%	0.408	S	S	.	.	S	Bend	trans	-72.2	121.5	-177.5	-167.7	72	58.3	0	0	110.9	S68 P69 E75 I76	S68-M71 VanDerWaalsContact O-CB 3.27Å; S68-M71 WeakPolarHBondContact O-CB 2.93Å; S68-M71 PolarHBondContact O-N 3.46Å; S68-M71 VanDerWaalsContact O-N 3.09Å; P69-M71 VanDerWaalsContact C-N 3.29Å; P69-M71 PolarHBondContact O-N 3.18Å; M71-E75 HydrophobicContact SD-CB 4.33Å; M71-E75 HydrophobicContact SD-CG 3.95Å; M71-I76 HydrophobicContact CB-CD1 4.17Å; M71-I76 HydrophobicContact CB-CG1 4.11Å; M71-I76 HydrophobicContact CG-CD1 4.2Å; M71-I76 HydrophobicContact CG-CG1 3.58Å
72	H	95.8	Very high	95.5	Very high	139 Å²	139	84.8 Å²	84.8	64%	0.644	43%	0.427	S	S	*	.			trans	-67.1	138.2	179.9	-170	63.7	0	0	0	112.6	D70 A74 E75 I76	D70-H72 PolarHBondContact O-N 2.67Å; H72-A74 VanDerWaalsContact C-N 3.26Å; H72-A74 PolarHBondContact O-N 3.45Å; H72-A74 VanDerWaalsContact O-N 3.13Å; H72-E75 WeakPolarHBondContact O-CA 3.22Å; H72-E75 WeakPolarHBondContact O-CB 3.19Å; H72-E75 PolarHBondContact O-N 3.32Å; H72-I76 PolarHBondContact O-N 3.39Å; H72-I76 VanDerWaalsContact O-N 3.15Å
73	N	94.1	Very high	95.6	Very high	72 Å²	72	86.6 Å²	86.6	39%	0.385	43%	0.434	S	S	.	.	H	α-helix	trans	-58.1	-33.1	-173.5	-165	-74.6	0	0	0	114.2	R61 E75 I76 S77	R61-N73 WeakPolarHBondContact CD-ND2 3.48Å; R61-N73 PolarHBondContact NE-ND2 2.88Å; N73-E75 VanDerWaalsContact C-N 3.25Å; N73-E75 PolarHBondContact O-N 3.15Å; N73-I76 PolarHBondContact O-N 3.13Å; N73-S77 WeakPolarHBondContact O-CB 3.43Å; N73-S77 PolarHBondContact O-N 2.77Å; N73-S77 PolarHBondContact O-OG 2.8Å; N73-S77 PolarHBondContact OD1-OG 3.41Å
74	A	96.8	Very high	95.7	Very high	51 Å²	51	84 Å²	84	42%	0.421	42%	0.422	S	S	.	.	H	α-helix	trans	-61.9	-36.8	175.9	0	0	0	0	0	111.7	H72 K78	H72-A74 VanDerWaalsContact C-N 3.26Å; H72-A74 PolarHBondContact O-N 3.45Å; H72-A74 VanDerWaalsContact O-N 3.13Å; A74-K78 WeakPolarHBondContact O-CG 3.28Å; A74-K78 PolarHBondContact O-N 2.95Å
75	E	97	Very high	95.9	Very high	64 Å²	64	91.4 Å²	91.4	30%	0.299	45%	0.453	S	S	.	.	H	α-helix	trans	-73.7	-41.8	176.9	-171.5	54.9	-151.2	0	0	111.3	M71 H72 N73 S77 K78 R79	M71-E75 HydrophobicContact SD-CB 4.33Å; M71-E75 HydrophobicContact SD-CG 3.95Å; H72-E75 WeakPolarHBondContact O-CA 3.22Å; H72-E75 WeakPolarHBondContact O-CB 3.19Å; H72-E75 PolarHBondContact O-N 3.32Å; N73-E75 VanDerWaalsContact C-N 3.25Å; N73-E75 PolarHBondContact O-N 3.15Å; E75-S77 VanDerWaalsContact C-N 3.3Å; E75-S77 PolarHBondContact O-N 2.88Å; E75-K78 WeakPolarHBondContact O-CB 3.27Å; E75-K78 PolarHBondContact O-N 2.68Å; E75-K78 IonicContact OE2-NZ 2.82Å; E75-K78 PolarHBondContact OE2-NZ 2.91Å; E75-R79 PolarHBondContact O-N 3.3Å; E75-R79 VanDerWaalsContact O-N 3.11Å; E75-R79 IonicContact OE1-NE 2.67Å
76	I	96.8	Very high	96	Very high	1 Å²	1	94.3 Å²	94.3	1%	0.005	47%	0.467	C	S	.	.	H	α-helix	trans	-56.6	-47.9	173.3	-56.9	178.7	0	0	0	110.1	R61 I64 M65 M71 H72 N73 K78 R79 L80	R61-I76 HydrophobicContact CB-CG2 4.34Å; R61-I76 HydrophobicContact CG-CG2 4.01Å; I64-I76 HydrophobicContact CB-CG2 4.16Å; I64-I76 HydrophobicContact CD1-CG2 3.88Å; I64-I76 HydrophobicContact CG2-CD1 4.03Å; I64-I76 HydrophobicContact CG2-CG1 3.9Å; I64-I76 HydrophobicContact CG2-CG2 4.08Å; M65-I76 HydrophobicContact CG-CD1 3.59Å; M71-I76 HydrophobicContact CB-CD1 4.17Å; M71-I76 HydrophobicContact CB-CG1 4.11Å; M71-I76 HydrophobicContact CG-CD1 4.2Å; M71-I76 HydrophobicContact CG-CG1 3.58Å; H72-I76 PolarHBondContact O-N 3.39Å; H72-I76 VanDerWaalsContact O-N 3.15Å; N73-I76 PolarHBondContact O-N 3.13Å; I76-K78 VanDerWaalsContact C-N 3.31Å; I76-K78 PolarHBondContact O-N 3.36Å; I76-R79 PolarHBondContact O-N 2.99Å; I76-R79 VanDerWaalsContact O-N 3.11Å; I76-L80 HydrophobicContact CG2-CD1 3.79Å; I76-L80 HydrophobicContact CG2-CG 4.05Å; I76-L80 VanDerWaalsContact O-CG 3.27Å; I76-L80 WeakPolarHBondContact O-CG 3.3Å; I76-L80 PolarHBondContact O-N 3.27Å
77	S	97.7	Very high	96.2	Very high	40 Å²	40	88.1 Å²	88.1	28%	0.28	44%	0.439	S	S	.	.	H	α-helix	trans	-61.9	-35.8	-179.1	-63.4	0	0	0	0	112.7	N73 E75 G81	N73-S77 WeakPolarHBondContact O-CB 3.43Å; N73-S77 PolarHBondContact O-N 2.77Å; N73-S77 PolarHBondContact O-OG 2.8Å; N73-S77 PolarHBondContact OD1-OG 3.41Å; E75-S77 VanDerWaalsContact C-N 3.3Å; E75-S77 PolarHBondContact O-N 2.88Å; S77-G81 PolarHBondContact O-N 3.47Å
78	K	98.1	Very high	96.4	Very high	123 Å²	123	87.8 Å²	87.8	54%	0.535	44%	0.435	S	S	.	.	H	α-helix	trans	-63.5	-46.1	172.4	-71.3	178.3	-137.5	157.1	0	111.9	A74 E75 I76 G81 K82	A74-K78 WeakPolarHBondContact O-CG 3.28Å; A74-K78 PolarHBondContact O-N 2.95Å; E75-K78 WeakPolarHBondContact O-CB 3.27Å; E75-K78 PolarHBondContact O-N 2.68Å; E75-K78 IonicContact OE2-NZ 2.82Å; E75-K78 PolarHBondContact OE2-NZ 2.91Å; I76-K78 VanDerWaalsContact C-N 3.31Å; I76-K78 PolarHBondContact O-N 3.36Å; K78-G81 PolarHBondContact O-N 2.79Å; K78-K82 PolarHBondContact O-N 3.41Å
79	R	97.4	Very high	96.7	Very high	121 Å²	121	90.7 Å²	90.7	46%	0.457	45%	0.447	S	S	.	.	H	α-helix	trans	-63.5	-43.6	178.6	-67	-178	-173.5	-176.8	0	111.6	E75 I76 G81 K82 R83	E75-R79 PolarHBondContact O-N 3.3Å; E75-R79 VanDerWaalsContact O-N 3.11Å; E75-R79 IonicContact OE1-NE 2.67Å; I76-R79 PolarHBondContact O-N 2.99Å; I76-R79 VanDerWaalsContact O-N 3.11Å; R79-G81 PolarHBondContact O-N 2.98Å; R79-K82 PolarHBondContact O-N 2.74Å; R79-R83 PolarHBondContact O-N 3.13Å
80	L	97.9	Very high	97	Very high	1 Å²	1	89.5 Å²	89.5	1%	0.005	44%	0.441	C	S	.	.	H	α-helix	trans	-61.5	-42.9	176.7	-68.3	179.9	0	0	0	112.3	F53 W56 E60 R61 I64 I76 K82 R83 W84	F53-L80 HydrophobicContact CZ-CB 4.48Å; W56-L80 HydrophobicContact CH2-CB 4.2Å; W56-L80 HydrophobicContact CH2-CD2 3.84Å; W56-L80 VanDerWaalsContact CH2-O 3.3Å; W56-L80 WeakPolarHBondContact CH2-O 3.31Å; W56-L80 HydrophobicContact CZ3-CB 3.93Å; W56-L80 HydrophobicContact CZ3-CD2 4.12Å; W56-L80 VanDerWaalsContact CZ3-O 3.28Å; W56-L80 WeakPolarHBondContact CZ3-O 3.47Å; E60-L80 HydrophobicContact CB-CD2 3.55Å; E60-L80 HydrophobicContact CG-CD2 3.24Å; R61-L80 HydrophobicContact CB-CD1 3.8Å; I64-L80 HydrophobicContact CD1-CD2 3.73Å; I64-L80 HydrophobicContact CD1-CG 4.24Å; I76-L80 HydrophobicContact CG2-CD1 3.79Å; I76-L80 HydrophobicContact CG2-CG 4.05Å; I76-L80 VanDerWaalsContact O-CG 3.27Å; I76-L80 WeakPolarHBondContact O-CG 3.3Å; I76-L80 PolarHBondContact O-N 3.27Å; L80-K82 VanDerWaalsContact C-N 3.32Å; L80-K82 PolarHBondContact O-N 3.2Å; L80-R83 PolarHBondContact O-N 3.21Å; L80-W84 WeakPolarHBondContact O-CB 3.27Å; L80-W84 PolarHBondContact O-N 2.89Å
81	G	98.1	Very high	97.1	Very high	34 Å²	34	86.3 Å²	86.3	35%	0.351	42%	0.421	S	S	.	.	H	α-helix	trans	-59.2	-42.4	176.1	0	0	0	0	0	112.7	S77 K78 R79 K85	S77-G81 PolarHBondContact O-N 3.47Å; K78-G81 PolarHBondContact O-N 2.79Å; R79-G81 PolarHBondContact O-N 2.98Å; G81-K85 PolarHBondContact O-N 2.95Å
82	K	98.3	Very high	97.3	Very high	142 Å²	142	85.1 Å²	85.1	62%	0.617	42%	0.415	S	S	*	.	H	α-helix	trans	-64	-48.7	175	-68.3	179.7	-178.9	-176.9	0	111.6	K78 R79 L80 K85 M86	K78-K82 PolarHBondContact O-N 3.41Å; R79-K82 PolarHBondContact O-N 2.74Å; L80-K82 VanDerWaalsContact C-N 3.32Å; L80-K82 PolarHBondContact O-N 3.2Å; K82-K85 PolarHBondContact O-N 3.22Å; K82-M86 HydrophobicContact CB-CE 4.43Å; K82-M86 WeakPolarHBondContact O-CG 3.37Å; K82-M86 PolarHBondContact O-N 2.84Å
83	R	97.8	Very high	97.4	Very high	136 Å²	136	82 Å²	82	51%	0.513	40%	0.402	S	S	.	.	H	α-helix	trans	-62.5	-44.7	-178.8	-174.4	175.2	-169.9	157.1	10.8	111.6	W56 E60 R79 L80 K85 M86 L87	W56-R83 HydrophobicContact CH2-CB 3.98Å; W56-R83 HydrophobicContact CH2-CG 4.15Å; W56-R83 HydrophobicContact CZ2-CB 4.38Å; W56-R83 HydrophobicContact CZ2-CG 4.03Å; E60-R83 IonicContact OE1-CZ 3.91Å; E60-R83 VanDerWaalsContact OE1-CZ 3.27Å; E60-R83 IonicContact OE1-NE 3.27Å; E60-R83 IonicContact OE1-NH1 3.89Å; E60-R83 PolarHBondContact OE1-NH1 3.29Å; R79-R83 PolarHBondContact O-N 3.13Å; L80-R83 PolarHBondContact O-N 3.21Å; R83-K85 VanDerWaalsContact C-N 3.28Å; R83-K85 PolarHBondContact O-N 2.97Å; R83-M86 CarbonylContact O-C 3.57Å; R83-M86 PolarHBondContact O-N 3.38Å; R83-L87 WeakPolarHBondContact O-CG 3.41Å; R83-L87 PolarHBondContact O-N 3.11Å
84	W	98.1	Very high	97.6	Very high	46 Å²	46	80.7 Å²	80.7	17%	0.174	40%	0.397	C	S	.	.	H	α-helix	trans	-55.7	-41.7	175.7	179.3	-104.9	0	0	0	113	A52 F53 W56 L80 M86 L87 K92 F95	A52-W84 HydrophobicContact CB-CH2 4.12Å; A52-W84 HydrophobicContact CB-CZ2 4.17Å; F53-W84 HydrophobicContact CD2-CB 3.77Å; F53-W84 AromaticContact CD2-CD1 3.85Å; F53-W84 AromaticContact CD2-CD2 3.92Å; F53-W84 HydrophobicContact CD2-CD2 3.92Å; F53-W84 AromaticContact CD2-CG 3.55Å; F53-W84 HydrophobicContact CD2-CG 3.55Å; F53-W84 HydrophobicContact CE2-CB 3.87Å; F53-W84 HydrophobicContact CE2-CG 4.17Å; W56-W84 HydrophobicContact CB-CE3 4.02Å; W56-W84 HydrophobicContact CB-CH2 4.49Å; W56-W84 HydrophobicContact CB-CZ3 3.61Å; W56-W84 AromaticContact CD2-CE3 3.46Å; W56-W84 HydrophobicContact CD2-CE3 3.46Å; W56-W84 VanDerWaalsContact CD2-CE3 3.46Å; W56-W84 AromaticContact CD2-CZ3 3.93Å; W56-W84 HydrophobicContact CD2-CZ3 3.93Å; W56-W84 HydrophobicContact CE3-CB 4.09Å; W56-W84 HydrophobicContact CE3-CD2 4.19Å; W56-W84 AromaticContact CE3-CE3 3.52Å; W56-W84 HydrophobicContact CE3-CE3 3.52Å; W56-W84 HydrophobicContact CE3-CG 4.45Å; W56-W84 HydrophobicContact CE3-CZ3 4.32Å; W56-W84 AromaticContact CG-CE3 3.68Å; W56-W84 HydrophobicContact CG-CE3 3.68Å; W56-W84 AromaticContact CG-CZ3 3.6Å; W56-W84 HydrophobicContact CG-CZ3 3.6Å; W56-W84 HydrophobicContact CH2-CB 4.03Å; W56-W84 HydrophobicContact CZ3-CB 3.63Å; W56-W84 HydrophobicContact CZ3-CE3 4.21Å; W56-W84 HydrophobicContact CZ3-CG 4.45Å; L80-W84 WeakPolarHBondContact O-CB 3.27Å; L80-W84 PolarHBondContact O-N 2.89Å; W84-M86 PolarHBondContact O-N 3.48Å; W84-L87 HydrophobicContact CE3-CD1 3.67Å; W84-L87 HydrophobicContact CZ3-CD1 4.12Å; W84-L87 PolarHBondContact O-N 3.26Å; W84-K92 HydrophobicContact CE3-CG 4.42Å; W84-K92 HydrophobicContact CH2-CB 3.81Å; W84-K92 HydrophobicContact CH2-CD 4.21Å; W84-K92 HydrophobicContact CH2-CG 3.67Å; W84-K92 HydrophobicContact CZ2-CB 4.21Å; W84-K92 HydrophobicContact CZ2-CD 3.89Å; W84-K92 HydrophobicContact CZ2-CG 3.89Å; W84-K92 HydrophobicContact CZ3-CB 4.4Å; W84-K92 HydrophobicContact CZ3-CG 3.95Å; W84-K92 WeakPolarHBondContact O-CE 3.48Å; W84-F95 HydrophobicContact CH2-CB 4.2Å; W84-F95 HydrophobicContact CZ3-CB 4.42Å; W84-F95 HydrophobicContact CZ3-CD2 4.2Å
85	K	98.1	Very high	97.6	Very high	180 Å²	180	79.4 Å²	79.4	78%	0.783	38%	0.382	S	S	*	.	H	α-helix	trans	-65	-31.1	177.9	-171.5	177.1	178.4	-177	0	112.2	G81 K82 R83	G81-K85 PolarHBondContact O-N 2.95Å; K82-K85 PolarHBondContact O-N 3.22Å; R83-K85 VanDerWaalsContact C-N 3.28Å; R83-K85 PolarHBondContact O-N 2.97Å
86	M	97.6	Very high	97.6	Very high	154 Å²	154	80.3 Å²	80.3	76%	0.759	39%	0.388	S	S	*	.	H	α-helix	trans	-86.9	-13.4	179.8	-62.9	178.7	-162.2	0	0	113.9	K82 R83 W84	K82-M86 HydrophobicContact CB-CE 4.43Å; K82-M86 WeakPolarHBondContact O-CG 3.37Å; K82-M86 PolarHBondContact O-N 2.84Å; R83-M86 CarbonylContact O-C 3.57Å; R83-M86 PolarHBondContact O-N 3.38Å; W84-M86 PolarHBondContact O-N 3.48Å
87	L	96.9	Very high	97.7	Very high	27 Å²	27	87.8 Å²	87.8	14%	0.141	42%	0.416	C	S	.	.	S	Bend	trans	-64.2	144.5	176	-70.4	173.7	0	0	0	110.6	W56 R83 W84 E91 K92	W56-L87 HydrophobicContact CD2-CD1 4.34Å; W56-L87 HydrophobicContact CZ2-CD1 3.83Å; R83-L87 WeakPolarHBondContact O-CG 3.41Å; R83-L87 PolarHBondContact O-N 3.11Å; W84-L87 HydrophobicContact CE3-CD1 3.67Å; W84-L87 HydrophobicContact CZ3-CD1 4.12Å; W84-L87 PolarHBondContact O-N 3.26Å; L87-E91 WeakPolarHBondContact CA-OE2 3.43Å; L87-E91 HydrophobicContact CB-CB 4.46Å; L87-E91 HydrophobicContact CD2-CB 4.42Å; L87-E91 WeakPolarHBondContact CD2-OE2 3.36Å; L87-K92 HydrophobicContact CB-CG 4.12Å; L87-K92 WeakPolarHBondContact O-CE 3.5Å; L87-K92 PolarHBondContact O-NZ 3.11Å
88	K	98.3	Very high	97.7	Very high	145 Å²	145	87.2 Å²	87.2	63%	0.63	41%	0.409	S	S	*	.			trans	-70.8	154.2	172.3	-65.4	177.2	-177.7	174.9	0	109.5	S90 E91 K92	K88-S90 PolarHBondContact O-N 3.22Å; K88-E91 HydrophobicContact CB-CG 4.31Å; K88-E91 PolarHBondContact N-OE2 3Å; K88-E91 WeakPolarHBondContact O-CB 3.45Å; K88-E91 PolarHBondContact O-N 2.84Å; K88-K92 WeakPolarHBondContact O-CG 3.22Å; K88-K92 PolarHBondContact O-N 2.86Å; K88-K92 VanDerWaalsContact O-N 3.12Å
89	D	97.1	Very high	97.7	Very high	108 Å²	108	81.9 Å²	81.9	58%	0.578	39%	0.388	S	S	*	.	H	α-helix	trans	-65.1	-32	179.4	-66.2	-22.3	0	0	0	111.5	E91 K92 I93	D89-E91 PolarHBondContact O-N 3.08Å; D89-K92 PolarHBondContact O-N 3.32Å; D89-K92 IonicContact OD1-NZ 3.91Å; D89-K92 PolarHBondContact OD1-NZ 3.21Å; D89-I93 WeakPolarHBondContact O-CG1 3.37Å; D89-I93 PolarHBondContact O-N 3.03Å
90	S	97.6	Very high	97.7	Very high	80 Å²	80	81.5 Å²	81.5	56%	0.559	39%	0.392	S	S	*	.	H	α-helix	trans	-53.5	-39.2	170.1	56	0	0	0	0	113.4	K88 P94	K88-S90 PolarHBondContact O-N 3.22Å; S90-P94 WeakPolarHBondContact O-CD 3.4Å
91	E	96.2	Very high	97.7	Very high	94 Å²	94	85.9 Å²	85.9	44%	0.439	41%	0.408	S	S	.	.	H	α-helix	trans	-78.2	-26.8	178	-59.1	172.5	142.8	0	0	112	L87 K88 D89 P94 F95	L87-E91 WeakPolarHBondContact CA-OE2 3.43Å; L87-E91 HydrophobicContact CB-CB 4.46Å; L87-E91 HydrophobicContact CD2-CB 4.42Å; L87-E91 WeakPolarHBondContact CD2-OE2 3.36Å; K88-E91 HydrophobicContact CB-CG 4.31Å; K88-E91 PolarHBondContact N-OE2 3Å; K88-E91 WeakPolarHBondContact O-CB 3.45Å; K88-E91 PolarHBondContact O-N 2.84Å; D89-E91 PolarHBondContact O-N 3.08Å; E91-P94 WeakPolarHBondContact O-CD 3.49Å; E91-P94 WeakPolarHBondContact O-CG 3.49Å; E91-F95 WeakPolarHBondContact O-CD2 3.13Å; E91-F95 VanDerWaalsContact O-CE2 3.22Å; E91-F95 WeakPolarHBondContact O-CE2 3.44Å
92	K	97.7	Very high	97.6	Very high	30 Å²	30	84.3 Å²	84.3	13%	0.13	39%	0.392	C	S	.	.	H	α-helix	trans	-79.5	-32.6	177.1	-63.7	177.9	-163.2	138.4	0	112.7	W84 L87 K88 D89 F95 I96	W84-K92 HydrophobicContact CE3-CG 4.42Å; W84-K92 HydrophobicContact CH2-CB 3.81Å; W84-K92 HydrophobicContact CH2-CD 4.21Å; W84-K92 HydrophobicContact CH2-CG 3.67Å; W84-K92 HydrophobicContact CZ2-CB 4.21Å; W84-K92 HydrophobicContact CZ2-CD 3.89Å; W84-K92 HydrophobicContact CZ2-CG 3.89Å; W84-K92 HydrophobicContact CZ3-CB 4.4Å; W84-K92 HydrophobicContact CZ3-CG 3.95Å; W84-K92 WeakPolarHBondContact O-CE 3.48Å; L87-K92 HydrophobicContact CB-CG 4.12Å; L87-K92 WeakPolarHBondContact O-CE 3.5Å; L87-K92 PolarHBondContact O-NZ 3.11Å; K88-K92 WeakPolarHBondContact O-CG 3.22Å; K88-K92 PolarHBondContact O-N 2.86Å; K88-K92 VanDerWaalsContact O-N 3.12Å; D89-K92 PolarHBondContact O-N 3.32Å; D89-K92 IonicContact OD1-NZ 3.91Å; D89-K92 PolarHBondContact OD1-NZ 3.21Å; K92-F95 WeakPolarHBondContact O-CB 3.46Å; K92-F95 PolarHBondContact O-N 2.99Å; K92-I96 HydrophobicContact CB-CD1 3.93Å; K92-I96 HydrophobicContact CB-CG1 4.47Å; K92-I96 WeakPolarHBondContact O-CG1 3.42Å; K92-I96 PolarHBondContact O-N 3.23Å
93	I	98	Very high	97.6	Very high	73 Å²	73	85.9 Å²	85.9	37%	0.374	39%	0.394	S	S	.	.	H	α-helix	trans	-45.8	-50.8	-177.8	-76.9	166.4	0	0	0	113.4	D89 F95 I96 R97	D89-I93 WeakPolarHBondContact O-CG1 3.37Å; D89-I93 PolarHBondContact O-N 3.03Å; I93-F95 VanDerWaalsContact C-N 3.27Å; I93-F95 PolarHBondContact O-N 3.32Å; I93-I96 PolarHBondContact O-N 2.91Å; I93-I96 VanDerWaalsContact O-N 3.14Å; I93-R97 VanDerWaalsContact CG2-NH2 3.27Å; I93-R97 PolarHBondContact O-N 2.95Å
94	P	97.4	Very high	97.6	Very high	45 Å²	45	83.8 Å²	83.8	29%	0.292	39%	0.392	S	S	.	.	H	α-helix	trans	-59	-38.6	179.7	20.9	-33.3	0	0	0	112.6	S90 E91 E98	S90-P94 WeakPolarHBondContact O-CD 3.4Å; E91-P94 WeakPolarHBondContact O-CD 3.49Å; E91-P94 WeakPolarHBondContact O-CG 3.49Å; P94-E98 WeakPolarHBondContact O-CB 3.21Å; P94-E98 PolarHBondContact O-N 2.65Å
95	F	97.8	Very high	97.4	Very high	23 Å²	23	83.9 Å²	83.9	10%	0.101	39%	0.394	C	S	.	.	H	α-helix	trans	-74.5	-29.6	178.3	-54.8	-71.2	0	0	0	113.1	A52 V55 W56 I59 W84 E91 K92 I93 A99 F350	A52-F95 WeakPolarHBondContact CA-O 3.07Å; A52-F95 HydrophobicContact CB-CB 4.41Å; V55-F95 HydrophobicContact CG1-CD1 4.16Å; W56-F95 HydrophobicContact CB-CB 4.27Å; W56-F95 HydrophobicContact CB-CD1 3.75Å; W56-F95 HydrophobicContact CB-CD2 4.13Å; W56-F95 HydrophobicContact CB-CE1 4.13Å; W56-F95 HydrophobicContact CB-CE2 4.49Å; W56-F95 HydrophobicContact CB-CG 3.76Å; W56-F95 HydrophobicContact CB-CZ 4.5Å; W56-F95 AromaticContact CD1-CD2 3.88Å; W56-F95 AromaticContact CD1-CE1 3.96Å; W56-F95 AromaticContact CD1-CE2 3.49Å; W56-F95 VanDerWaalsContact CD1-CE2 3.49Å; W56-F95 AromaticContact CD1-CZ 3.55Å; W56-F95 HydrophobicContact CG-CD1 4.49Å; W56-F95 HydrophobicContact CG-CD2 4.31Å; W56-F95 HydrophobicContact CG-CE1 4.48Å; W56-F95 HydrophobicContact CG-CE2 4.32Å; W56-F95 HydrophobicContact CG-CG 4.41Å; W56-F95 HydrophobicContact CG-CZ 4.42Å; I59-F95 HydrophobicContact CD1-CE1 3.97Å; W84-F95 HydrophobicContact CH2-CB 4.2Å; W84-F95 HydrophobicContact CZ3-CB 4.42Å; W84-F95 HydrophobicContact CZ3-CD2 4.2Å; E91-F95 WeakPolarHBondContact O-CD2 3.13Å; E91-F95 VanDerWaalsContact O-CE2 3.22Å; E91-F95 WeakPolarHBondContact O-CE2 3.44Å; K92-F95 WeakPolarHBondContact O-CB 3.46Å; K92-F95 PolarHBondContact O-N 2.99Å; I93-F95 VanDerWaalsContact C-N 3.27Å; I93-F95 PolarHBondContact O-N 3.32Å; F95-A99 VanDerWaalsContact O-CB 3.29Å; F95-A99 WeakPolarHBondContact O-CB 3.1Å; F95-A99 PolarHBondContact O-N 2.62Å; F95-F350 HydrophobicContact CE1-CD1 4.04Å; F95-F350 AromaticContact CE1-CE1 3.58Å; F95-F350 HydrophobicContact CE1-CE1 3.58Å; F95-F350 AromaticContact CZ-CE1 3.85Å; F95-F350 HydrophobicContact CZ-CE1 3.85Å
96	I	97.8	Very high	97.4	Very high	84 Å²	84	75.6 Å²	75.6	43%	0.431	36%	0.358	S	S	.	.	H	α-helix	trans	-67.8	-49.9	173.5	-66.4	166.7	0	0	0	109.7	A52 K92 I93 E98 A99 E100	A52-I96 HydrophobicContact CB-CB 4.47Å; A52-I96 HydrophobicContact CB-CG1 3.85Å; K92-I96 HydrophobicContact CB-CD1 3.93Å; K92-I96 HydrophobicContact CB-CG1 4.47Å; K92-I96 WeakPolarHBondContact O-CG1 3.42Å; K92-I96 PolarHBondContact O-N 3.23Å; I93-I96 PolarHBondContact O-N 2.91Å; I93-I96 VanDerWaalsContact O-N 3.14Å; I96-E98 VanDerWaalsContact C-N 3.29Å; I96-E98 PolarHBondContact O-N 2.92Å; I96-A99 PolarHBondContact O-N 2.97Å; I96-E100 PolarHBondContact O-N 2.95Å
97	R	98.1	Very high	97.3	Very high	158 Å²	158	73.8 Å²	73.8	60%	0.596	35%	0.349	S	S	*	.	H	α-helix	trans	-56.9	-44.2	175.2	-74.8	-166.7	-111.4	118.4	-10.9	111.5	I93 E100 R101	I93-R97 VanDerWaalsContact CG2-NH2 3.27Å; I93-R97 PolarHBondContact O-N 2.95Å; R97-E100 WeakPolarHBondContact O-CB 3.49Å; R97-E100 PolarHBondContact O-N 3.12Å; R97-R101 WeakPolarHBondContact O-CB 3.46Å; R97-R101 PolarHBondContact O-N 2.91Å
98	E	97	Very high	97.3	Very high	27 Å²	27	76.2 Å²	76.2	13%	0.126	37%	0.373	C	S	.	.	H	α-helix	trans	-67	-40.6	179.7	-178.2	53.9	-155.5	0	0	112.6	V55 P94 I96 E100 R101 L102	V55-E98 HydrophobicContact CG1-CB 4.46Å; V55-E98 HydrophobicContact CG1-CG 3.92Å; P94-E98 WeakPolarHBondContact O-CB 3.21Å; P94-E98 PolarHBondContact O-N 2.65Å; I96-E98 VanDerWaalsContact C-N 3.29Å; I96-E98 PolarHBondContact O-N 2.92Å; E98-E100 VanDerWaalsContact C-N 3.31Å; E98-E100 PolarHBondContact O-N 3.2Å; E98-R101 VanDerWaalsContact CD-NE 3.31Å; E98-R101 WeakPolarHBondContact O-CB 3.18Å; E98-R101 PolarHBondContact O-N 3.32Å; E98-R101 IonicContact OE1-CZ 3.75Å; E98-R101 VanDerWaalsContact OE1-CZ 3.27Å; E98-R101 IonicContact OE1-NE 3.79Å; E98-R101 PolarHBondContact OE1-NE 3.26Å; E98-R101 VanDerWaalsContact OE1-NE 3.08Å; E98-R101 IonicContact OE1-NH2 3.27Å; E98-R101 PolarHBondContact OE1-NH2 3.42Å; E98-R101 IonicContact OE2-CZ 3.74Å; E98-R101 IonicContact OE2-NE 2.77Å; E98-R101 PolarHBondContact OE2-NE 3.27Å; E98-R101 IonicContact OE2-NH2 3.27Å; E98-L102 WeakPolarHBondContact O-CG 3.44Å; E98-L102 PolarHBondContact O-N 3.34Å
99	A	97.8	Very high	97.1	Very high	12 Å²	12	72.8 Å²	72.8	10%	0.099	36%	0.361	C	S	.	.	H	α-helix	trans	-65.1	-35.7	174.4	0	0	0	0	0	112.7	N51 A52 V55 F95 I96 R103	N51-A99 VanDerWaalsContact C-CB 3.48Å; A52-A99 HydrophobicContact CB-CB 4.08Å; V55-A99 HydrophobicContact CG2-CB 4.4Å; F95-A99 VanDerWaalsContact O-CB 3.29Å; F95-A99 WeakPolarHBondContact O-CB 3.1Å; F95-A99 PolarHBondContact O-N 2.62Å; I96-A99 PolarHBondContact O-N 2.97Å; A99-R103 WeakPolarHBondContact O-CB 3.5Å; A99-R103 PolarHBondContact O-N 2.86Å
100	E	98.3	Very high	97	Very high	113 Å²	113	68.6 Å²	68.6	53%	0.528	34%	0.338	S	S	.	.	H	α-helix	trans	-65.4	-46	173	-176.4	176.5	-158	0	0	111.3	I96 R97 E98 L102 R103 L104	I96-E100 PolarHBondContact O-N 2.95Å; R97-E100 WeakPolarHBondContact O-CB 3.49Å; R97-E100 PolarHBondContact O-N 3.12Å; E98-E100 VanDerWaalsContact C-N 3.31Å; E98-E100 PolarHBondContact O-N 3.2Å; E100-L102 VanDerWaalsContact C-N 3.32Å; E100-L102 PolarHBondContact O-N 3.39Å; E100-R103 WeakPolarHBondContact O-CA 3.21Å; E100-R103 WeakPolarHBondContact O-CB 3.41Å; E100-R103 PolarHBondContact O-N 3.03Å; E100-L104 HydrophobicContact CG-CD1 4.33Å; E100-L104 PolarHBondContact O-N 3.25Å
101	R	98.1	Very high	96.8	Very high	92 Å²	92	69.6 Å²	69.6	35%	0.347	34%	0.342	S	S	.	.	H	α-helix	trans	-55.2	-47.2	173.9	-169.3	-162.1	69.4	77.6	-1.6	111.4	R97 E98 R103 L104 K105	R97-R101 WeakPolarHBondContact O-CB 3.46Å; R97-R101 PolarHBondContact O-N 2.91Å; E98-R101 VanDerWaalsContact CD-NE 3.31Å; E98-R101 WeakPolarHBondContact O-CB 3.18Å; E98-R101 PolarHBondContact O-N 3.32Å; E98-R101 IonicContact OE1-CZ 3.75Å; E98-R101 VanDerWaalsContact OE1-CZ 3.27Å; E98-R101 IonicContact OE1-NE 3.79Å; E98-R101 PolarHBondContact OE1-NE 3.26Å; E98-R101 VanDerWaalsContact OE1-NE 3.08Å; E98-R101 IonicContact OE1-NH2 3.27Å; E98-R101 PolarHBondContact OE1-NH2 3.42Å; E98-R101 IonicContact OE2-CZ 3.74Å; E98-R101 IonicContact OE2-NE 2.77Å; E98-R101 PolarHBondContact OE2-NE 3.27Å; E98-R101 IonicContact OE2-NH2 3.27Å; R101-R103 VanDerWaalsContact C-N 3.32Å; R101-R103 PolarHBondContact O-N 2.99Å; R101-L104 PolarHBondContact O-N 3.33Å; R101-K105 WeakPolarHBondContact O-CB 3.34Å; R101-K105 PolarHBondContact O-N 2.78Å
102	L	96.6	Very high	96.8	Very high	1 Å²	1	72.6 Å²	72.6	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-62.6	-38.1	175.5	-72.3	173	0	0	0	112.2	W38 P49 M50 V55 E98 E100 H106 V354	W38-L102 HydrophobicContact CE3-CD2 4.48Å; W38-L102 HydrophobicContact CH2-CD2 4.22Å; W38-L102 HydrophobicContact CZ3-CD2 3.84Å; P49-L102 HydrophobicContact CB-CB 4.43Å; M50-L102 HydrophobicContact CB-CD1 4.23Å; M50-L102 HydrophobicContact CE-CD1 4.15Å; V55-L102 HydrophobicContact CG2-CD1 3.79Å; E98-L102 WeakPolarHBondContact O-CG 3.44Å; E98-L102 PolarHBondContact O-N 3.34Å; E100-L102 VanDerWaalsContact C-N 3.32Å; E100-L102 PolarHBondContact O-N 3.39Å; L102-H106 VanDerWaalsContact O-CB 3.24Å; L102-H106 WeakPolarHBondContact O-CB 3.41Å; L102-H106 PolarHBondContact O-N 3.25Å; L102-V354 HydrophobicContact CD2-CG1 4.43Å
103	R	97.3	Very high	96.7	Very high	175 Å²	175	74.3 Å²	74.3	66%	0.66	37%	0.367	S	S	*	.	H	α-helix	trans	-65	-46	176.1	179.2	-173.9	173.8	-177	-3.2	111.8	A99 E100 R101 H106 M107	A99-R103 WeakPolarHBondContact O-CB 3.5Å; A99-R103 PolarHBondContact O-N 2.86Å; E100-R103 WeakPolarHBondContact O-CA 3.21Å; E100-R103 WeakPolarHBondContact O-CB 3.41Å; E100-R103 PolarHBondContact O-N 3.03Å; R101-R103 VanDerWaalsContact C-N 3.32Å; R101-R103 PolarHBondContact O-N 2.99Å; R103-H106 WeakPolarHBondContact O-CB 3.48Å; R103-H106 PolarHBondContact O-N 3.31Å; R103-M107 WeakPolarHBondContact O-CB 3.49Å; R103-M107 PolarHBondContact O-N 3.01Å
104	L	97.4	Very high	96.5	Very high	92 Å²	92	77.8 Å²	77.8	48%	0.482	38%	0.38	S	S	.	.	H	α-helix	trans	-65	-45.7	178.3	-70.1	175	0	0	0	111.1	E100 R101 H106 M107 A108	E100-L104 HydrophobicContact CG-CD1 4.33Å; E100-L104 PolarHBondContact O-N 3.25Å; R101-L104 PolarHBondContact O-N 3.33Å; L104-H106 VanDerWaalsContact C-N 3.3Å; L104-H106 PolarHBondContact O-N 2.96Å; L104-M107 HydrophobicContact CD2-CE 4.01Å; L104-M107 PolarHBondContact O-N 3.22Å; L104-M107 VanDerWaalsContact O-N 3.14Å; L104-A108 PolarHBondContact O-N 2.96Å
105	K	95.6	Very high	96.5	Very high	48 Å²	48	82.3 Å²	82.3	21%	0.209	39%	0.392	C	S	.	.	H	α-helix	trans	-56.2	-46.4	173.5	-174.7	178.9	-178.7	-177.5	0	111.2	W38 R101 M107 A108 D109	W38-K105 HydrophobicContact CZ2-CB 4.31Å; W38-K105 HydrophobicContact CZ2-CD 4.1Å; W38-K105 HydrophobicContact CZ2-CG 3.98Å; R101-K105 WeakPolarHBondContact O-CB 3.34Å; R101-K105 PolarHBondContact O-N 2.78Å; K105-M107 VanDerWaalsContact C-N 3.32Å; K105-M107 PolarHBondContact O-N 3.29Å; K105-A108 PolarHBondContact O-N 3.47Å; K105-D109 WeakPolarHBondContact CE-OD2 3.39Å; K105-D109 WeakPolarHBondContact O-CB 3.45Å; K105-D109 VanDerWaalsContact O-CG 3.24Å; K105-D109 PolarHBondContact O-N 3.08Å
106	H	96.4	Very high	96.2	Very high	7 Å²	7	90.3 Å²	90.3	3%	0.032	42%	0.422	C	S	.	.	H	α-helix	trans	-61.1	-41.1	177.5	-169.6	84.3	0	0	0	112.9	W38 C39 I46 K47 P49 L102 R103 L104 A108 Y110 Y113	W38-H106 HydrophobicContact CH2-CB 3.91Å; W38-H106 HydrophobicContact CZ2-CB 4.01Å; C39-H106 PolarHBondContact SG-ND1 2.81Å; I46-H106 WeakPolarHBondContact CG2-CE1 3.46Å; K47-H106 PolarHBondContact O-CE1 3.41Å; P49-H106 HydrophobicContact CB-CB 4Å; P49-H106 HydrophobicContact CG-CB 4.02Å; L102-H106 VanDerWaalsContact O-CB 3.24Å; L102-H106 WeakPolarHBondContact O-CB 3.41Å; L102-H106 PolarHBondContact O-N 3.25Å; R103-H106 WeakPolarHBondContact O-CB 3.48Å; R103-H106 PolarHBondContact O-N 3.31Å; L104-H106 VanDerWaalsContact C-N 3.3Å; L104-H106 PolarHBondContact O-N 2.96Å; H106-A108 VanDerWaalsContact C-N 3.34Å; H106-Y110 AromaticContact CE1-CD2 3.73Å; H106-Y110 AromaticContact ND1-CD2 3.66Å; H106-Y110 WeakPolarHBondContact O-CA 3.38Å; H106-Y110 VanDerWaalsContact O-CB 3.26Å; H106-Y110 WeakPolarHBondContact O-CB 3.24Å; H106-Y110 WeakPolarHBondContact O-CD2 3.29Å; H106-Y110 PolarHBondContact O-N 2.69Å; H106-Y113 AromaticContact CD2-CD1 3.91Å; H106-Y113 AromaticContact NE2-CD1 3.42Å; H106-Y113 WeakPolarHBondContact NE2-CD1 3.47Å; H106-Y113 AromaticContact NE2-CD2 3.55Å; H106-Y113 AromaticContact NE2-CE1 3.7Å; H106-Y113 AromaticContact NE2-CE2 3.82Å; H106-Y113 AromaticContact NE2-CG 3.33Å; H106-Y113 VanDerWaalsContact NE2-CG 3.33Å; H106-Y113 AromaticContact NE2-CZ 3.87Å
107	M	96.5	Very high	96	Very high	116 Å²	116	90.5 Å²	90.5	57%	0.571	43%	0.428	S	S	*	.	H	α-helix	trans	-67.6	-36.4	178.9	-171.2	175.1	72.6	0	0	112	R103 L104 K105 Y110 P111	R103-M107 WeakPolarHBondContact O-CB 3.49Å; R103-M107 PolarHBondContact O-N 3.01Å; L104-M107 HydrophobicContact CD2-CE 4.01Å; L104-M107 PolarHBondContact O-N 3.22Å; L104-M107 VanDerWaalsContact O-N 3.14Å; K105-M107 VanDerWaalsContact C-N 3.32Å; K105-M107 PolarHBondContact O-N 3.29Å; M107-Y110 CarbonylContact O-C 3.52Å; M107-P111 WeakPolarHBondContact O-CA 3.21Å
108	A	96.3	Very high	95.6	Very high	78 Å²	78	91.8 Å²	91.8	65%	0.645	44%	0.438	S	S	*	.	H	α-helix	trans	-71.2	-46.7	176	0	0	0	0	0	112.2	L104 K105 H106 Y110	L104-A108 PolarHBondContact O-N 2.96Å; K105-A108 PolarHBondContact O-N 3.47Å; H106-A108 VanDerWaalsContact C-N 3.34Å; A108-Y110 VanDerWaalsContact C-N 3.28Å; A108-Y110 PolarHBondContact O-N 2.81Å
109	D	94.1	Very high	95.3	Very high	72 Å²	72	100 Å²	100	39%	0.385	47%	0.474	S	S	.	.	H	α-helix	trans	-69.1	-29.1	179.3	-66.5	-11.2	0	0	0	111.8	W38 K105	W38-D109 PolarHBondContact NE1-OD2 3.13Å; K105-D109 WeakPolarHBondContact CE-OD2 3.39Å; K105-D109 WeakPolarHBondContact O-CB 3.45Å; K105-D109 VanDerWaalsContact O-CG 3.24Å; K105-D109 PolarHBondContact O-N 3.08Å
110	Y	94.4	Very high	94.7	Very high	20 Å²	20	108.6 Å²	108.6	8%	0.078	51%	0.509	C	S	.	.			trans	-133.4	70.1	-174.7	-54.3	-75.3	0	0	0	112.2	P36 C39 K40 I46 H106 M107 A108 D112 Y113	P36-Y110 PolarHBondContact O-OH 2.91Å; C39-Y110 HydrophobicContact CB-CE2 3.93Å; K40-Y110 HydrophobicContact CD-CE1 4.25Å; K40-Y110 WeakPolarHBondContact CD-OH 3.13Å; K40-Y110 WeakPolarHBondContact CE-OH 3.32Å; K40-Y110 HydrophobicContact CG-CE1 4.19Å; K40-Y110 VanDerWaalsContact CG-OH 3.31Å; K40-Y110 WeakPolarHBondContact CG-OH 3.47Å; I46-Y110 HydrophobicContact CD1-CD1 3.32Å; I46-Y110 HydrophobicContact CD1-CE1 3.62Å; I46-Y110 HydrophobicContact CD1-CG 4.11Å; I46-Y110 HydrophobicContact CG1-CD1 3.89Å; I46-Y110 HydrophobicContact CG1-CE1 3.73Å; I46-Y110 HydrophobicContact CG2-CD1 4.17Å; I46-Y110 HydrophobicContact CG2-CD2 4.09Å; I46-Y110 HydrophobicContact CG2-CE1 4.3Å; I46-Y110 HydrophobicContact CG2-CE2 4.28Å; I46-Y110 HydrophobicContact CG2-CG 4.04Å; H106-Y110 AromaticContact CE1-CD2 3.73Å; H106-Y110 AromaticContact ND1-CD2 3.66Å; H106-Y110 WeakPolarHBondContact O-CA 3.38Å; H106-Y110 VanDerWaalsContact O-CB 3.26Å; H106-Y110 WeakPolarHBondContact O-CB 3.24Å; H106-Y110 WeakPolarHBondContact O-CD2 3.29Å; H106-Y110 PolarHBondContact O-N 2.69Å; M107-Y110 CarbonylContact O-C 3.52Å; A108-Y110 VanDerWaalsContact C-N 3.28Å; A108-Y110 PolarHBondContact O-N 2.81Å; Y110-D112 PolarHBondContact O-N 2.87Å; Y110-Y113 WeakPolarHBondContact O-CB 3.4Å; Y110-Y113 PolarHBondContact O-N 3.48Å
111	P	95.3	Very high	94	Very high	101 Å²	101	108.9 Å²	108.9	66%	0.656	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-32	-177.7	24.8	-34.3	0	0	0	112.8	M107 Y113	M107-P111 WeakPolarHBondContact O-CA 3.21Å; P111-Y113 VanDerWaalsContact C-N 3.3Å; P111-Y113 PolarHBondContact O-N 3.39Å
112	D	94.6	Very high	92.8	Very high	157 Å²	157	113.6 Å²	113.6	84%	0.84	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	5.5	178.1	-63	-43.4	0	0	0	113.7	Y110 K114	Y110-D112 PolarHBondContact O-N 2.87Å; D112-K114 PolarHBondContact O-N 3.28Å
113	Y	95.9	Very high	91.7	Very high	66 Å²	66	121.5 Å²	121.5	26%	0.259	59%	0.585	S	S	.	*			trans	-61.6	123.5	-179.7	180	-102.5	0	0	0	111.3	I46 R48 H106 Y110 P111	I46-Y113 HydrophobicContact CB-CD2 3.97Å; I46-Y113 HydrophobicContact CB-CE2 4.05Å; I46-Y113 HydrophobicContact CG2-CD2 3.56Å; I46-Y113 HydrophobicContact CG2-CE2 3.74Å; I46-Y113 WeakPolarHBondContact O-CE2 2.95Å; R48-Y113 WeakPolarHBondContact CG-OH 3.31Å; H106-Y113 AromaticContact CD2-CD1 3.91Å; H106-Y113 AromaticContact NE2-CD1 3.42Å; H106-Y113 WeakPolarHBondContact NE2-CD1 3.47Å; H106-Y113 AromaticContact NE2-CD2 3.55Å; H106-Y113 AromaticContact NE2-CE1 3.7Å; H106-Y113 AromaticContact NE2-CE2 3.82Å; H106-Y113 AromaticContact NE2-CG 3.33Å; H106-Y113 VanDerWaalsContact NE2-CG 3.33Å; H106-Y113 AromaticContact NE2-CZ 3.87Å; Y110-Y113 WeakPolarHBondContact O-CB 3.4Å; Y110-Y113 PolarHBondContact O-N 3.48Å; P111-Y113 VanDerWaalsContact C-N 3.3Å; P111-Y113 PolarHBondContact O-N 3.39Å
114	K	94.9	Very high	89.8	Confident	147 Å²	147	119.5 Å²	119.5	64%	0.639	59%	0.587	S	S	*	*			trans	-129.5	124.5	174.8	-170.8	168.4	-175	169.3	0	111.1	D112 R116	D112-K114 PolarHBondContact O-N 3.28Å; K114-R116 PolarHBondContact O-N 2.88Å
115	Y	95.5	Very high	88	Confident	139 Å²	139	121.3 Å²	121.3	55%	0.545	61%	0.607	S	S	.	*			trans	-66.3	118.3	174.2	-179.7	-125.2	0	0	0	110.7	R48 P117	R48-Y115 HydrophobicContact CG-CD2 4.45Å; Y115-P117 HydrophobicContact CD1-CG 4.13Å; Y115-P117 HydrophobicContact CE1-CG 3.56Å; Y115-P117 HydrophobicContact CE2-CG 4.48Å
116	R	92.9	Very high	85.9	Confident	192 Å²	192	123.5 Å²	123.5	73%	0.725	63%	0.629	S	S	*	*			trans	-126.5	93.8	179.2	-66.6	179	-174.7	-117	6.1	109.3	K114 K118	K114-R116 PolarHBondContact O-N 2.88Å; R116-K118 PolarHBondContact O-N 3.14Å
117	P	92.6	Very high	83.6	Confident	87 Å²	87	132.8 Å²	132.8	57%	0.565	67%	0.669	S	S	*	*			trans	-57.3	122	176.9	-18.7	26.8	0	0	0	110.7	Y115 K119	Y115-P117 HydrophobicContact CD1-CG 4.13Å; Y115-P117 HydrophobicContact CE1-CG 3.56Å; Y115-P117 HydrophobicContact CE2-CG 4.48Å; P117-K119 PolarHBondContact O-N 2.92Å
118	K	90.5	Very high	81.3	Confident	186 Å²	186	132.7 Å²	132.7	81%	0.809	68%	0.677	S	S	*	*			trans	-80.7	115.5	172.4	-69.8	-175.7	177.4	-179.8	0	108.9	R116 K120	R116-K118 PolarHBondContact O-N 3.14Å; K118-K120 PolarHBondContact O-N 3.29Å
119	K	89.9	Confident	79	Confident	200 Å²	200	134.9 Å²	134.9	87%	0.87	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-71.4	118.6	168.8	-67	-177.5	179.6	179.5	0	107.8	P117	P117-K119 PolarHBondContact O-N 2.92Å
120	K	85.3	Confident	76.7	Confident	192 Å²	192	135.4 Å²	135.4	84%	0.835	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-69.3	133.4	168.5	-67.7	-159.6	177.3	-175.3	0	108.3	K118 K122	K118-K120 PolarHBondContact O-N 3.29Å; K120-K122 PolarHBondContact O-N 2.98Å
121	P	83.9	Confident	74.6	Confident	118 Å²	118	140.7 Å²	140.7	77%	0.766	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-59.9	124.9	173.4	23.8	-30.5	0	0	0	108.2	L123	P121-L123 PolarHBondContact O-N 2.85Å; P121-L123 VanDerWaalsContact O-N 3.11Å
122	K	73.4	Confident	72.4	Confident	192 Å²	192	145.5 Å²	145.5	84%	0.835	75%	0.75	S	S	*	*			trans	-68.5	106.8	169.9	-68.2	-178.5	178.5	-177.5	0	106	K120 D124	K120-K122 PolarHBondContact O-N 2.98Å; K122-D124 VanDerWaalsContact C-N 3.32Å; K122-D124 PolarHBondContact O-N 2.92Å; K122-D124 VanDerWaalsContact O-N 3.1Å
123	L	72.4	Confident	70.4	Confident	167 Å²	167	143.7 Å²	143.7	87%	0.874	75%	0.747	S	S	*	*			trans	-70.2	100.6	161.5	-74	166.8	0	0	0	105.3	P121 S125	P121-L123 PolarHBondContact O-N 2.85Å; P121-L123 VanDerWaalsContact O-N 3.11Å; L123-S125 PolarHBondContact O-N 3.38Å
124	D	58	Low	68	Low	132 Å²	132	149.7 Å²	149.7	71%	0.706	78%	0.777	S	S	*	*			trans	-58.6	109.7	169.3	-77.8	-32.6	0	0	0	107.7	K122 S126	K122-D124 VanDerWaalsContact C-N 3.32Å; K122-D124 PolarHBondContact O-N 2.92Å; K122-D124 VanDerWaalsContact O-N 3.1Å; D124-S126 PolarHBondContact O-N 3.35Å
125	S	59	Low	65.4	Low	130 Å²	130	152.7 Å²	152.7	91%	0.909	79%	0.79	S	S	*	*			trans	-75.5	45.4	175.8	57	0	0	0	0	111.2	L123	L123-S125 PolarHBondContact O-N 3.38Å
126	S	51.7	Low	62.6	Low	95 Å²	95	151.1 Å²	151.1	66%	0.664	80%	0.799	S	S	*	*			trans	-126.6	68.1	177.2	55.1	0	0	0	0	109.7	D124	D124-S126 PolarHBondContact O-N 3.35Å
127	K	48.8	Very low	59.8	Low	201 Å²	201	147.3 Å²	147.3	87%	0.874	80%	0.802	S	S	*	*			trans	-122.3	114.7	156.1	-130.7	175.1	-173.6	177.9	0	109.3
128	P	48	Very low	57.1	Low	115 Å²	115	148 Å²	148	75%	0.747	81%	0.809	S	S	*	*			trans	-66.2	141.4	174.5	27.3	-31.1	0	0	0	109.4	A130	P128-A130 PolarHBondContact O-N 3.45Å
129	S	47.5	Very low	54.7	Low	124 Å²	124	148.6 Å²	148.6	87%	0.867	81%	0.812	S	S	*	*			trans	-47.5	117.3	171.4	50.2	0	0	0	0	111.5
130	A	46.8	Very low	52.3	Low	83 Å²	83	147.5 Å²	147.5	69%	0.686	81%	0.812	S	S	*	*			trans	-105.9	139.1	159.1	0	0	0	0	0	108.6	P128	P128-A130 PolarHBondContact O-N 3.45Å
131	P	50.2	Low	50.2	Low	130 Å²	130	142.6 Å²	142.6	84%	0.844	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-78.1	135.7	-170.4	31.1	-32.6	0	0	0	111.6
132	F	48.4	Very low	48.1	Very low	203 Å²	203	146 Å²	146	89%	0.89	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-74.4	142.4	168.3	-93.7	-97.1	0	0	0	110.4
133	P	52.6	Low	47.1	Very low	119 Å²	119	142.9 Å²	142.9	77%	0.773	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-81.2	141.4	178.6	32.7	-31.6	0	0	0	111.6
134	E	45.2	Very low	46	Very low	192 Å²	192	140.8 Å²	140.8	90%	0.897	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-62.2	140.3	172.3	-62.6	-175.5	150	0	0	112.3
135	K	42	Very low	44.9	Very low	210 Å²	210	137.9 Å²	137.9	91%	0.913	81%	0.805	S	S	*	*			trans	-151.6	150.4	145.1	-118.2	173.2	-174	177.3	0	111.5
136	S	35.9	Very low	44.1	Very low	105 Å²	105	141.7 Å²	141.7	73%	0.734	81%	0.805	S	S	*	*			trans	-103	175.4	-145.1	51.1	0	0	0	0	115.2
137	S	33.5	Very low	43.5	Very low	113 Å²	113	147 Å²	147	79%	0.79	82%	0.816	S	S	*	*			trans	89.7	133	166.1	80.8	0	0	0	0	115.6
138	S	36.6	Very low	43	Very low	102 Å²	102	143.8 Å²	143.8	71%	0.713	82%	0.817	S	S	*	*			cis	-168.2	146.8	1.4	46.2	0	0	0	0	110.1
139	K	40.3	Very low	42.4	Very low	198 Å²	198	143.2 Å²	143.2	86%	0.861	82%	0.816	S	S	*	*			trans	44.9	130.8	145.2	-60.1	-179.3	178.8	176.2	0	118.6
140	M	39.4	Very low	41.9	Very low	176 Å²	176	146.3 Å²	146.3	87%	0.867	81%	0.814	S	S	*	*				-166	149.7	52.9	-73.6	-173	68.7	0	0	113.1
141	A	39.9	Very low	41.6	Very low	89 Å²	89	150.5 Å²	150.5	74%	0.736	82%	0.823	S	S	*	*			trans	9.8	145	152.9	0	0	0	0	0	120.8
142	K	39.7	Very low	40.8	Very low	191 Å²	191	153.8 Å²	153.8	83%	0.83	82%	0.824	S	S	*	*			cis	-175.1	120.9	48.9	-148.7	164.1	-179.8	173.8	0	110.9
143	T	52.4	Low	40.2	Very low	125 Å²	125	148.7 Å²	148.7	77%	0.767	82%	0.82	S	S	*	*			trans	31.8	168.9	140.4	69	0	0	0	0	123.9
144	P	49.1	Very low	39.5	Very low	123 Å²	123	152.1 Å²	152.1	80%	0.799	82%	0.822	S	S	*	*				-139.7	172.6	-62.6	41.4	-23	0	0	0	114.4
145	G	35.5	Very low	39.1	Very low	72 Å²	72	149.8 Å²	149.8	74%	0.742	82%	0.821	S	S	*	*			trans	112.3	141.2	155.5	0	0	0	0	0	114.8
146	K	43.4	Very low	38.6	Very low	210 Å²	210	147.7 Å²	147.7	91%	0.913	82%	0.815	S	S	*	*			cis	-149.1	145.8	4.7	-74.8	174.6	175.2	171.9	0	107.6
147	K	38.7	Very low	38.5	Very low	207 Å²	207	148.5 Å²	148.5	90%	0.9	82%	0.821	S	S	*	*			trans	-68.5	146.3	166	-62.1	174.4	-179.9	174.8	0	109.2
148	C	36.8	Very low	38.6	Very low	132 Å²	132	152.8 Å²	152.8	89%	0.892	83%	0.825	S	S	*	*			trans	-154.8	140.2	136	-133.6	0	0	0	0	111.9
149	S	36	Very low	38.3	Very low	104 Å²	104	152.9 Å²	152.9	73%	0.727	83%	0.826	S	S	*	*			trans	-100.1	139.5	-167.5	37.7	0	0	0	0	112.3
150	K	38	Very low	37.8	Very low	189 Å²	189	148.3 Å²	148.3	82%	0.822	82%	0.819	S	S	*	*			trans	38.1	123.1	132.8	-164.5	-171.8	-166.7	98.1	0	118.6
151	I	39.5	Very low	37.2	Very low	171 Å²	171	148 Å²	148	88%	0.877	82%	0.815	S	S	*	*			trans	-143.9	128.5	132.8	-45	176.8	0	0	0	109.7
152	K	33.4	Very low	36.8	Very low	199 Å²	199	148.1 Å²	148.1	87%	0.865	81%	0.81	S	S	*	*			trans	-126.4	122.6	165.9	-170.1	175.4	-173.5	173.1	0	105.4
153	A	35.6	Very low	36.3	Very low	96 Å²	96	148.9 Å²	148.9	79%	0.793	81%	0.809	S	S	*	*			trans	-100.5	147.6	175.9	0	0	0	0	0	110.4
154	K	39	Very low	35.3	Very low	190 Å²	190	146.6 Å²	146.6	83%	0.826	81%	0.81	S	S	*	*			trans	-136.4	134.3	-179.2	-160.2	-175.8	-170.5	-176	0	105.7
155	T	35.5	Very low	34.4	Very low	143 Å²	143	147 Å²	147	88%	0.877	81%	0.806	S	S	*	*			trans	-135.7	135	167.6	-52.3	0	0	0	0	109.4
156	Q	33.3	Very low	34.3	Very low	167 Å²	167	150.5 Å²	150.5	78%	0.78	81%	0.807	S	S	*	*			trans	-99.3	154	174.9	-69.8	174.4	-16.2	0	0	109.9
157	S	33.5	Very low	33.9	Very low	122 Å²	122	150.5 Å²	150.5	85%	0.853	80%	0.802	S	S	*	*			trans	-161.5	135.5	141.9	51.6	0	0	0	0	112.1
158	K	35	Very low	33.5	Very low	202 Å²	202	147.1 Å²	147.1	88%	0.878	80%	0.798	S	S	*	*			trans	-76	169.2	168.2	-58.4	174.3	176.1	175.8	0	108.8
159	S	29.3	Very low	33.4	Very low	105 Å²	105	150 Å²	150	73%	0.734	80%	0.796	S	S	*	*			cis	-178.9	149.8	45.3	53.1	0	0	0	0	112.7
160	S	30.7	Very low	33.7	Very low	102 Å²	102	150.4 Å²	150.4	71%	0.713	80%	0.796	S	S	*	*			trans	19.2	138.6	143.3	63.4	0	0	0	0	123.4
161	H	27.8	Very low	33.3	Very low	169 Å²	169	150.1 Å²	150.1	78%	0.782	80%	0.795	S	S	*	*				179	159.2	94.3	-146.4	59.6	0	0	0	113.3
162	S	30	Very low	32.8	Very low	92 Å²	92	149 Å²	149	64%	0.643	79%	0.789	S	S	*	*			trans	-90.5	168.7	-167	170.5	0	0	0	0	114.9
163	Y	30.1	Very low	32.8	Very low	207 Å²	207	144.6 Å²	144.6	81%	0.812	78%	0.779	S	S	*	*			trans	146.3	123.1	149.9	-77.9	-67.7	0	0	0	106.8
164	G	30.9	Very low	32.7	Very low	76 Å²	76	149 Å²	149	78%	0.784	78%	0.78	S	S	*	*			cis	101.2	95.6	32.2	0	0	0	0	0	109.2
165	D	29.9	Very low	32.5	Very low	131 Å²	131	146.6 Å²	146.6	70%	0.701	78%	0.781	S	S	*	*			trans	-159	125.4	152.6	-157.3	24.5	0	0	0	111.8	R167	D165-R167 IonicContact OD2-CZ 2.84Å; D165-R167 IonicContact OD2-NE 3.9Å; D165-R167 PolarHBondContact OD2-NE 2.94Å; D165-R167 IonicContact OD2-NH2 3.08Å; D165-R167 PolarHBondContact OD2-NH2 3.04Å
166	D	33.4	Very low	32.4	Very low	146 Å²	146	146.7 Å²	146.7	78%	0.781	78%	0.782	S	S	*	*			trans	-68.1	148.6	166	-86.4	-64.3	0	0	0	110.6
167	R	34.6	Very low	32.5	Very low	210 Å²	210	147.2 Å²	147.2	79%	0.792	78%	0.781	S	S	*	*			trans	-168.5	98.7	148.6	-108.6	168.2	-111	-153.1	2.3	114.3	D165	D165-R167 IonicContact OD2-CZ 2.84Å; D165-R167 IonicContact OD2-NE 3.9Å; D165-R167 PolarHBondContact OD2-NE 2.94Å; D165-R167 IonicContact OD2-NH2 3.08Å; D165-R167 PolarHBondContact OD2-NH2 3.04Å
168	V	31.4	Very low	32.5	Very low	136 Å²	136	146.1 Å²	146.1	82%	0.824	77%	0.77	S	S	*	*				42.1	116.8	121.5	-172.9	0	0	0	0	119.6
169	F	33.7	Very low	32.5	Very low	192 Å²	192	144 Å²	144	84%	0.842	76%	0.763	S	S	*	*			trans	-35.5	152	157.8	-87.7	-83.1	0	0	0	116.2
170	P	43.3	Very low	33	Very low	114 Å²	114	146.5 Å²	146.5	74%	0.74	77%	0.767	S	S	*	*				-152.5	152.1	82	36.2	-15	0	0	0	119
171	K	29.6	Very low	33.6	Very low	183 Å²	183	148 Å²	148	80%	0.796	77%	0.772	S	S	*	*			trans	26.5	139.7	139.9	-59.1	178.7	175.5	173.5	0	119.7
172	I	29.8	Very low	34.6	Very low	147 Å²	147	146 Å²	146	75%	0.754	77%	0.767	S	S	*	*				173.6	121.7	107.5	-85.7	154.8	0	0	0	110.4
173	T	31.5	Very low	35.4	Very low	106 Å²	106	149.5 Å²	149.5	65%	0.65	78%	0.779	S	S	*	*			trans	27.1	139.3	141.7	77.5	0	0	0	0	119.1
174	K	33.8	Very low	36.3	Very low	190 Å²	190	146.2 Å²	146.2	83%	0.826	78%	0.775	S	S	*	*				-165.5	141.9	55.9	-73	176	-178.5	158.4	0	110.8
175	T	35.5	Very low	37.3	Very low	138 Å²	138	150.4 Å²	150.4	85%	0.847	78%	0.78	S	S	*	*			trans	-68.5	132.6	155.2	47.7	0	0	0	0	110.8
176	V	33.6	Very low	38.2	Very low	145 Å²	145	148.7 Å²	148.7	88%	0.879	78%	0.784	S	S	*	*			trans	-146.3	140.6	148.1	175	0	0	0	0	108.8
177	K	36.1	Very low	38.9	Very low	178 Å²	178	149.5 Å²	149.5	77%	0.774	79%	0.788	S	S	*	*			trans	-118.3	156.7	-171.3	-167.1	-162.6	176.8	177.5	0	107.6
178	T	32.8	Very low	39.6	Very low	100 Å²	100	148.5 Å²	148.5	61%	0.613	79%	0.792	S	S	*	*			trans	65.4	143.8	164.3	63.3	0	0	0	0	116.1
179	E	34.7	Very low	40.5	Very low	158 Å²	158	152 Å²	152	74%	0.738	79%	0.792	S	S	*	*				-157.3	134.1	52.2	-51.5	-90.2	120	0	0	108.1
180	L	40.7	Very low	41.4	Very low	156 Å²	156	150.9 Å²	150.9	82%	0.817	79%	0.789	S	S	*	*				52.7	104.4	97.1	-87.1	164.1	0	0	0	117.9
181	T	43.3	Very low	41.6	Very low	134 Å²	134	153.4 Å²	153.4	82%	0.822	79%	0.791	S	S	*	*			trans	-170.8	100.2	147.3	-5.2	0	0	0	0	104.3
182	D	48.1	Very low	42.5	Very low	127 Å²	127	148.3 Å²	148.3	68%	0.679	78%	0.783	S	S	*	*				52.2	92.4	71.4	-144.2	77.3	0	0	0	112.3
183	D	47	Very low	43.5	Very low	166 Å²	166	149.4 Å²	149.4	89%	0.888	78%	0.779	S	S	*	*			trans	-160.1	93.1	156.7	-89.1	-44.6	0	0	0	106.5
184	D	49.6	Very low	44.2	Very low	138 Å²	138	146.8 Å²	146.8	74%	0.738	77%	0.774	S	S	*	*			trans	-75.2	167.9	168.3	-82	-49.2	0	0	0	111
185	D	50.3	Low	44.8	Very low	164 Å²	164	144.2 Å²	144.2	88%	0.877	77%	0.766	S	S	*	*			trans	95.7	68.5	166.9	-62.9	-41.2	0	0	0	119.5
186	A	50.5	Low	45.5	Very low	94 Å²	94	145.4 Å²	145.4	78%	0.777	76%	0.755	S	S	*	*			trans	-139.8	24.9	161.7	0	0	0	0	0	115.9
187	D	46.8	Very low	46	Very low	163 Å²	163	144.1 Å²	144.1	87%	0.872	74%	0.742	S	S	*	*			trans	-108.5	0.8	-170.5	-62.7	-0.2	0	0	0	115.1
188	E	50.5	Low	46.4	Very low	189 Å²	189	143.8 Å²	143.8	88%	0.883	74%	0.741	S	S	*	*			trans	-106.5	44.9	-171.9	-156	176.5	-179.8	0	0	114.9
189	Y	49.9	Very low	46.8	Very low	209 Å²	209	144.9 Å²	144.9	82%	0.82	74%	0.739	S	S	*	*	S	Bend	trans	-127.9	-4	178.7	-109.2	-92.2	0	0	0	117.4
190	E	51.6	Low	47.2	Very low	169 Å²	169	142.1 Å²	142.1	79%	0.79	73%	0.726	S	S	*	*	S	Bend	trans	-101.1	-14.3	-177.5	-82.1	-74.6	176.7	0	0	114.8
191	E	47.8	Very low	47.3	Very low	167 Å²	167	141 Å²	141	78%	0.78	72%	0.72	S	S	*	*	H	α-helix	trans	-84.2	-18.4	-176.6	-162.5	157.1	-141	0	0	113.9
192	A	48.9	Very low	47.4	Very low	76 Å²	76	142 Å²	142	63%	0.628	72%	0.716	S	S	*	*	H	α-helix	trans	-78.8	-25.7	-178	0	0	0	0	0	114.5
193	Y	50.6	Low	47.2	Very low	171 Å²	171	142.3 Å²	142.3	67%	0.671	71%	0.713	S	S	*	*	H	α-helix	trans	-80.5	-25.3	-179.6	-95.3	-88	0	0	0	113.4
194	G	46.3	Very low	47	Very low	51 Å²	51	141.4 Å²	141.4	53%	0.526	70%	0.704	S	S	.	*	H	α-helix	trans	-75.3	-29.2	177.8	0	0	0	0	0	114.5
195	M	47.1	Very low	46.6	Very low	136 Å²	136	141.5 Å²	141.5	67%	0.67	70%	0.702	S	S	*	*	H	α-helix	trans	-76.2	-35.9	178.3	-73.2	-92.9	-158.4	0	0	112.3	I197 K198 Q199	M195-I197 PolarHBondContact O-N 3.37Å; M195-K198 PolarHBondContact O-N 2.91Å; M195-Q199 PolarHBondContact O-N 3.32Å
196	R	49	Very low	46.4	Very low	162 Å²	162	144.2 Å²	144.2	61%	0.611	70%	0.699	S	S	*	*	H	α-helix	trans	-67.9	-35.6	-177.5	-170.9	179.3	-109.9	-105.2	7.3	113.1	K198 Q199 E200	R196-K198 VanDerWaalsContact C-N 3.34Å; R196-K198 PolarHBondContact O-N 2.92Å; R196-Q199 PolarHBondContact O-N 3.38Å; R196-E200 IonicContact NH1-OE1 2.65Å
197	I	45.5	Very low	46	Very low	119 Å²	119	147 Å²	147	61%	0.61	70%	0.701	S	S	*	*	H	α-helix	trans	-72.2	-25.4	-179.6	-64.7	-176.1	0	0	0	112.5	M195	M195-I197 PolarHBondContact O-N 3.37Å
198	K	43.8	Very low	45.5	Very low	171 Å²	171	146.3 Å²	146.3	74%	0.743	69%	0.687	S	S	*	*	H	α-helix	trans	-84.5	-23.7	176.5	-82.2	-176.4	175.7	175.1	0	114.1	M195 R196	M195-K198 PolarHBondContact O-N 2.91Å; R196-K198 VanDerWaalsContact C-N 3.34Å; R196-K198 PolarHBondContact O-N 2.92Å
199	Q	40.4	Very low	45.2	Very low	122 Å²	122	144.6 Å²	144.6	57%	0.57	68%	0.684	S	S	*	*	H	α-helix	trans	-82.9	-32.9	-175.2	-164.5	169.8	-4.5	0	0	112.3	M195 R196 D201 E202 E203	M195-Q199 PolarHBondContact O-N 3.32Å; R196-Q199 PolarHBondContact O-N 3.38Å; Q199-D201 VanDerWaalsContact C-N 3.35Å; Q199-D201 PolarHBondContact O-N 3.46Å; Q199-E202 PolarHBondContact O-N 2.93Å; Q199-E203 PolarHBondContact O-N 3.25Å
200	E	42.7	Very low	44.7	Very low	101 Å²	101	141.5 Å²	141.5	47%	0.472	69%	0.686	S	S	.	*	H	α-helix	trans	-69.5	-29.8	-178.6	-69.4	176.2	-177	0	0	112.6	R196 Q204	R196-E200 IonicContact NH1-OE1 2.65Å; E200-Q204 PolarHBondContact O-N 2.84Å
201	D	43.7	Very low	44.2	Very low	131 Å²	131	137.9 Å²	137.9	70%	0.701	69%	0.685	S	S	*	*	H	α-helix	trans	-76.6	-23.3	178.6	-80.8	-12.6	0	0	0	114.1	Q199	Q199-D201 VanDerWaalsContact C-N 3.35Å; Q199-D201 PolarHBondContact O-N 3.46Å
202	E	44.5	Very low	44.2	Very low	157 Å²	157	139.7 Å²	139.7	73%	0.734	69%	0.69	S	S	*	*	H	α-helix	trans	-88.7	-27.4	175.4	-81.2	-166.3	160.3	0	0	113.2	Q199	Q199-E202 PolarHBondContact O-N 2.93Å
203	E	44.8	Very low	44.2	Very low	133 Å²	133	142.4 Å²	142.4	62%	0.621	70%	0.699	S	S	*	*	H	α-helix	trans	-79.9	-29.5	-178.3	-109	178.4	167.4	0	0	113.4	Q199 M205	Q199-E203 PolarHBondContact O-N 3.25Å; E203-M205 PolarHBondContact O-N 2.99Å
204	Q	42.9	Very low	44.1	Very low	147 Å²	147	140 Å²	140	69%	0.687	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-15.4	-178.6	-103.8	164	3.4	0	0	115.1	E200 Y208	E200-Q204 PolarHBondContact O-N 2.84Å; Q204-Y208 WeakPolarHBondContact O-CE1 3.43Å
205	M	40.6	Very low	43.7	Very low	140 Å²	140	142 Å²	142	69%	0.69	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-2	176.7	-97.3	-73.6	-72	0	0	114.5	E203 Y208	E203-M205 PolarHBondContact O-N 2.99Å; M205-Y208 PolarHBondContact SD-OH 3.04Å
206	R	45.5	Very low	43.4	Very low	221 Å²	221	140.6 Å²	140.6	83%	0.834	72%	0.719	S	S	*	*	S	Bend	trans	-102.2	-4.8	-178.7	-74	-89.1	-172	95.1	5	114.1
207	L	43	Very low	43.6	Very low	153 Å²	153	138.7 Å²	138.7	80%	0.801	73%	0.728	S	S	*	*			trans	-118.3	41.4	-165.2	-139.7	76.9	0	0	0	115.6
208	Y	36.3	Very low	43.5	Very low	147 Å²	147	139.2 Å²	139.2	58%	0.576	74%	0.737	S	S	*	*	S	Bend	trans	-146.3	119.6	162.2	31	-94.7	0	0	0	113.1	Q204 M205	Q204-Y208 WeakPolarHBondContact O-CE1 3.43Å; M205-Y208 PolarHBondContact SD-OH 3.04Å
209	N	44.7	Very low	43.4	Very low	154 Å²	154	139.5 Å²	139.5	82%	0.824	75%	0.746	S	S	*	*			trans	80.3	84	158.8	-51.8	-46.7	0	0	0	119.3
210	V	38.3	Very low	43.3	Very low	144 Å²	144	139.5 Å²	139.5	87%	0.873	76%	0.759	S	S	*	*			trans	-134.2	116.5	140.4	178.4	0	0	0	0	108.8
211	A	42.3	Very low	43	Very low	92 Å²	92	140.5 Å²	140.5	76%	0.76	78%	0.777	S	S	*	*			trans	-59.7	138.3	179.1	0	0	0	0	0	112.2
212	K	46.6	Very low	42.8	Very low	206 Å²	206	138.8 Å²	138.8	90%	0.896	78%	0.775	S	S	*	*			trans	-78.6	120.1	172	-120.2	86.7	170.1	174.6	0	109.1
213	V	49.8	Very low	42.8	Very low	132 Å²	132	136 Å²	136	80%	0.8	78%	0.779	S	S	*	*			trans	-118.3	127	160.1	-176.1	0	0	0	0	107.4
214	P	48.9	Very low	42.9	Very low	121 Å²	121	138.1 Å²	138.1	79%	0.786	79%	0.789	S	S	*	*			trans	-78.1	134	-177.7	29.7	-31.6	0	0	0	112.1
215	A	38	Very low	43.2	Very low	94 Å²	94	136.8 Å²	136.8	78%	0.777	80%	0.796	S	S	*	*			trans	-75	152.4	164.7	0	0	0	0	0	109
216	S	40.3	Very low	43.3	Very low	105 Å²	105	139.7 Å²	139.7	73%	0.734	81%	0.808	S	S	*	*			cis	-155.3	-177.5	13.7	-50.3	0	0	0	0	107.2
217	P	53.5	Low	42.9	Very low	123 Å²	123	132.3 Å²	132.3	80%	0.799	80%	0.801	S	S	*	*				-144.5	160.2	72.5	32.5	-10.1	0	0	0	116.4
218	T	43.1	Very low	42.5	Very low	129 Å²	129	131.9 Å²	131.9	79%	0.791	81%	0.805	S	S	*	*			trans	-47.4	139	172.8	44	0	0	0	0	116
219	L	40.6	Very low	42.8	Very low	178 Å²	178	130.2 Å²	130.2	93%	0.932	81%	0.814	S	S	*	*			trans	-136.3	128.9	145.1	-74.9	-180	0	0	0	110.8
220	S	38.3	Very low	42.6	Very low	122 Å²	122	131.4 Å²	131.4	85%	0.853	82%	0.817	S	S	*	*			trans	-64.9	138.9	167.6	179.7	0	0	0	0	110.5
221	S	37	Very low	43	Very low	122 Å²	122	135.9 Å²	135.9	85%	0.853	82%	0.82	S	S	*	*			trans	-160.7	142	137.2	-147.4	0	0	0	0	112.5
222	S	40.6	Very low	43.1	Very low	95 Å²	95	139.2 Å²	139.2	66%	0.664	82%	0.82	S	S	*	*			trans	-74.2	148.5	-178	-157.2	0	0	0	0	112.2
223	A	44.1	Very low	43	Very low	98 Å²	98	135.5 Å²	135.5	81%	0.81	81%	0.806	S	S	*	*			trans	-171.5	101.7	142.5	0	0	0	0	0	110.1
224	E	46.3	Very low	42.6	Very low	177 Å²	177	135.8 Å²	135.8	83%	0.827	81%	0.807	S	S	*	*			trans	-45.3	138	155.8	48.7	-139.7	62.1	0	0	115
225	S	49.4	Very low	42.3	Very low	120 Å²	120	139 Å²	139	84%	0.839	80%	0.804	S	S	*	*			trans	-158.3	120.3	143	74.2	0	0	0	0	111.3
226	E	42.3	Very low	42.1	Very low	201 Å²	201	141.7 Å²	141.7	94%	0.939	81%	0.805	S	S	*	*			trans	-67	156.5	174.8	-60.9	164.5	139.3	0	0	112.6
227	G	37.3	Very low	41.9	Very low	66 Å²	66	140.9 Å²	140.9	68%	0.68	81%	0.805	S	S	*	*			trans	158.6	72.5	163.4	0	0	0	0	0	117.9
228	T	34.8	Very low	41.4	Very low	144 Å²	144	139.7 Å²	139.7	88%	0.883	81%	0.805	S	S	*	*			trans	51	118.6	135.5	62.2	0	0	0	0	121.6
229	S	43	Very low	41.9	Very low	112 Å²	112	138.6 Å²	138.6	78%	0.783	80%	0.8	S	S	*	*				165.1	95.9	127.1	-175	0	0	0	0	109.5
230	M	39.7	Very low	41.7	Very low	178 Å²	178	137.5 Å²	137.5	88%	0.877	80%	0.795	S	S	*	*				59.1	72.6	90.4	-70.1	-71.8	-89.9	0	0	115.6
231	Y	47.1	Very low	41.7	Very low	238 Å²	238	141.5 Å²	141.5	93%	0.933	79%	0.792	S	S	*	*			trans	-159.5	114.6	130.2	-128.5	-92.2	0	0	0	109.7
232	E	44.2	Very low	41.9	Very low	162 Å²	162	144.3 Å²	144.3	76%	0.757	80%	0.796	S	S	*	*			trans	-100.7	147.7	-178	-175.9	168.3	-156.6	0	0	110.6
233	E	43.9	Very low	41.8	Very low	129 Å²	129	147.6 Å²	147.6	60%	0.603	80%	0.799	S	S	*	*			trans	66.2	138.5	158.4	-86.9	-177.9	139.9	0	0	119.4	R235	E233-R235 IonicContact OE1-NE 3.82Å
234	V	42.6	Very low	41.4	Very low	137 Å²	137	153 Å²	153	83%	0.83	80%	0.8	S	S	*	*				-152.4	147.6	59.2	164	0	0	0	0	112.7
235	R	41.9	Very low	40.7	Very low	189 Å²	189	152 Å²	152	71%	0.713	80%	0.8	S	S	*	*			trans	-59.8	148.8	179.8	-52.5	171.8	177.6	-177.6	-4.6	115.8	E233	E233-R235 IonicContact OE1-NE 3.82Å
236	N	34.5	Very low	40.1	Very low	151 Å²	151	155 Å²	155	81%	0.807	80%	0.798	S	S	*	*				162.8	129.3	105.8	-94.5	-22.7	0	0	0	115
237	A	36.4	Very low	39.9	Very low	88 Å²	88	154.3 Å²	154.3	73%	0.727	79%	0.792	S	S	*	*			trans	53.6	97.9	135.5	0	0	0	0	0	122.1
238	A	42.4	Very low	39.7	Very low	97 Å²	97	158.5 Å²	158.5	80%	0.802	80%	0.799	S	S	*	*				53.1	170.4	117.6	0	0	0	0	0	121
239	P	53.3	Low	39.7	Very low	106 Å²	106	159.7 Å²	159.7	69%	0.688	80%	0.798	S	S	*	*				-124.6	-178.2	-110.7	28.4	-4.9	0	0	0	114.8
240	N	37.8	Very low	39.3	Very low	155 Å²	155	160.7 Å²	160.7	83%	0.829	80%	0.8	S	S	*	*			trans	79	126.3	162.4	-62.4	-50.6	0	0	0	118.3
241	R	38.3	Very low	39.3	Very low	206 Å²	206	161.4 Å²	161.4	78%	0.777	80%	0.798	S	S	*	*				156.1	94.6	115.4	-167.1	177.5	-132.4	-113.2	4.4	110.6	F243	R241-F243 HydrophobicContact CG-CD2 4.28Å
242	L	39.3	Very low	38.7	Very low	182 Å²	182	159.1 Å²	159.1	95%	0.953	80%	0.796	S	S	*	*			trans	-93.8	106.4	164.4	-74.3	173.7	0	0	0	108.8
243	F	38.9	Very low	38.1	Very low	164 Å²	164	156.4 Å²	156.4	72%	0.719	80%	0.795	S	S	*	*			trans	-109.5	131.9	167.9	-118.7	-89.9	0	0	0	108.8	R241	R241-F243 HydrophobicContact CG-CD2 4.28Å
244	Y	35.7	Very low	37.7	Very low	212 Å²	212	157.3 Å²	157.3	83%	0.831	81%	0.809	S	S	*	*			trans	-54.7	132.5	171.1	-84.6	-94.6	0	0	0	111.3
245	N	31.8	Very low	37.3	Very low	155 Å²	155	158.3 Å²	158.3	83%	0.829	81%	0.807	S	S	*	*			trans	-114.4	97.4	174.6	-147.1	41.6	0	0	0	109.8
246	F	36.5	Very low	36.9	Very low	182 Å²	182	160.5 Å²	160.5	80%	0.798	82%	0.817	S	S	*	*			trans	-95.3	123.1	155.3	-82.5	-86.3	0	0	0	107.5
247	K	39.5	Very low	37.7	Very low	187 Å²	187	159 Å²	159	81%	0.813	82%	0.816	S	S	*	*			trans	-173.4	123.8	149.5	-101.1	152	-170.6	-174.8	0	112.5
248	N	32	Very low	37.6	Very low	155 Å²	155	159.7 Å²	159.7	83%	0.829	82%	0.821	S	S	*	*			trans	6.1	127	144.1	-66	-8.8	0	0	0	118
249	I	34.2	Very low	37.3	Very low	169 Å²	169	160.1 Å²	160.1	87%	0.867	82%	0.818	S	S	*	*			trans	-106.7	100.8	161	-67.4	176.3	0	0	0	109
250	T	35.4	Very low	36.7	Very low	132 Å²	132	161.8 Å²	161.8	81%	0.81	83%	0.826	S	S	*	*			trans	-85.7	138.1	154.1	-72.8	0	0	0	0	108.2
251	K	40	Very low	36.9	Very low	194 Å²	194	159.9 Å²	159.9	84%	0.843	83%	0.825	S	S	*	*			trans	-42.7	139.1	-176.6	-60.9	171.5	175.1	177.8	0	116.8
252	Q	34.7	Very low	37.7	Very low	189 Å²	189	155.7 Å²	155.7	88%	0.883	82%	0.824	S	S	*	*			trans	-155.5	115.9	138.2	-64.1	-160.1	24.2	0	0	108
253	S	31.1	Very low	37.4	Very low	105 Å²	105	151.6 Å²	151.6	73%	0.734	82%	0.817	S	S	*	*				71.2	107.9	91.3	-162.4	0	0	0	0	116
254	T	35.8	Very low	37.2	Very low	149 Å²	149	148.7 Å²	148.7	91%	0.914	82%	0.817	S	S	*	*			trans	-154.8	143.6	151.1	7.9	0	0	0	0	110.9
255	M	33.1	Very low	37.2	Very low	157 Å²	157	143.1 Å²	143.1	77%	0.773	81%	0.809	S	S	*	*			trans	-86.5	155.6	-160.4	-49.3	-137.3	105.5	0	0	114.9
256	Y	34.2	Very low	37.7	Very low	235 Å²	235	146.4 Å²	146.4	92%	0.922	81%	0.81	S	S	*	*			trans	-163.3	156.7	135.9	-76.6	-59	0	0	0	110.7
257	P	51.7	Low	37.6	Very low	121 Å²	121	142.3 Å²	142.3	79%	0.786	80%	0.804	S	S	*	*			trans	-108	152.6	-152.2	38.7	-30.2	0	0	0	114.7
258	A	34.8	Very low	37.4	Very low	101 Å²	101	140 Å²	140	84%	0.835	81%	0.805	S	S	*	*			trans	-163.9	131.1	145.9	0	0	0	0	0	111
259	S	36.4	Very low	37.5	Very low	106 Å²	106	137.6 Å²	137.6	74%	0.741	80%	0.8	S	S	*	*			trans	-53.6	138.6	178	47.6	0	0	0	0	115.9
260	V	40	Very low	37.4	Very low	142 Å²	142	135.5 Å²	135.5	86%	0.861	80%	0.795	S	S	*	*				177.7	133.7	98.9	-80.2	0	0	0	0	109.9
261	S	41.9	Very low	37.5	Very low	114 Å²	114	134.2 Å²	134.2	80%	0.797	79%	0.792	S	S	*	*			trans	-79	-171.8	175.3	-37.9	0	0	0	0	111.7
262	P	54.2	Low	37.3	Very low	118 Å²	118	130.3 Å²	130.3	77%	0.766	79%	0.789	S	S	*	*			cis	-139	178.1	-9.2	30.8	-8.4	0	0	0	116.2
263	A	32.8	Very low	37.1	Very low	97 Å²	97	126.6 Å²	126.6	80%	0.802	78%	0.784	S	S	*	*			trans	78.5	137.1	154	0	0	0	0	0	116.5
264	S	35.6	Very low	37.2	Very low	102 Å²	102	126.4 Å²	126.4	71%	0.713	78%	0.782	S	S	*	*			cis	-161.3	129.4	25.4	-157	0	0	0	0	110.8
265	S	35.6	Very low	37.1	Very low	96 Å²	96	124.5 Å²	124.5	67%	0.671	78%	0.775	S	S	*	*				39.1	135.8	126.9	-21	0	0	0	0	123.2
266	R	41.8	Very low	37.3	Very low	224 Å²	224	124.2 Å²	124.2	85%	0.845	77%	0.772	S	S	*	*			trans	98.9	106.9	145.9	-55.6	170.7	97.4	173.6	4.3	115.5
267	S	34.8	Very low	37.3	Very low	96 Å²	96	120 Å²	120	67%	0.671	77%	0.765	S	S	*	*				50.3	119.5	77.9	75.2	0	0	0	0	111.4
268	V	36.6	Very low	37	Very low	139 Å²	139	119.1 Å²	119.1	84%	0.842	77%	0.768	S	S	*	*				-172.4	166.6	59.9	-79	0	0	0	0	110.2
269	S	33.4	Very low	37.1	Very low	103 Å²	103	122 Å²	122	72%	0.72	77%	0.77	S	S	*	*			trans	-72.6	174.6	180	-46.2	0	0	0	0	115.9
270	T	31.8	Very low	37.2	Very low	126 Å²	126	123.6 Å²	123.6	77%	0.773	77%	0.77	S	S	*	*			trans	89.5	110.1	149.1	57.4	0	0	0	0	121.8
271	S	37.1	Very low	37.4	Very low	105 Å²	105	124.2 Å²	124.2	73%	0.734	77%	0.767	S	S	*	*				74.5	135.1	129.4	59.9	0	0	0	0	123.6
272	S	35.8	Very low	37.2	Very low	111 Å²	111	126.3 Å²	126.3	78%	0.776	77%	0.769	S	S	*	*			trans	72.2	117.9	148.7	61.8	0	0	0	0	120
273	S	31.2	Very low	36.2	Very low	112 Å²	112	130 Å²	130	78%	0.783	77%	0.774	S	S	*	*				174.4	153.5	97	75.4	0	0	0	0	112.3
274	S	32	Very low	36.1	Very low	100 Å²	100	131.1 Å²	131.1	70%	0.699	77%	0.766	S	S	*	*			trans	67.9	110.5	138.4	-155.5	0	0	0	0	120.3
275	S	34.6	Very low	35.9	Very low	109 Å²	109	135.2 Å²	135.2	76%	0.762	77%	0.771	S	S	*	*				165.5	153.1	104	47.4	0	0	0	0	111.6
276	E	37.2	Very low	35.7	Very low	151 Å²	151	134.7 Å²	134.7	71%	0.706	77%	0.767	S	S	*	*			trans	-73.9	167.3	-164.9	55.1	-115.9	82.9	0	0	117.8
277	D	35	Very low	35.4	Very low	147 Å²	147	132 Å²	132	79%	0.786	77%	0.769	S	S	*	*			trans	85	100.5	151.8	-57.4	-32.1	0	0	0	121.6
278	A	44.1	Very low	35.4	Very low	103 Å²	103	135.5 Å²	135.5	85%	0.851	78%	0.78	S	S	*	*				-159	121.9	123.6	0	0	0	0	0	110.3
279	D	36.7	Very low	35.1	Very low	161 Å²	161	138.1 Å²	138.1	86%	0.861	78%	0.781	S	S	*	*			trans	-58.2	152.1	178.8	-73.4	-70.4	0	0	0	115.3
280	D	39.2	Very low	34.9	Very low	139 Å²	139	136.8 Å²	136.8	74%	0.743	78%	0.775	S	S	*	*			trans	-44.9	160.6	165.4	-69	-46.3	0	0	0	113.7
281	L	43.6	Very low	35.6	Very low	155 Å²	155	136.7 Å²	136.7	81%	0.812	78%	0.777	S	S	*	*				-163.8	111.6	80	-78.6	170.4	0	0	0	112.3
282	L	38.5	Very low	35.2	Very low	159 Å²	159	137.4 Å²	137.4	83%	0.832	78%	0.782	S	S	*	*			trans	-65	115.4	157.5	178.4	66	0	0	0	109.5	D284	L282-D284 PolarHBondContact O-N 3.35Å
283	F	32.9	Very low	34.9	Very low	196 Å²	196	136.3 Å²	136.3	86%	0.86	78%	0.78	S	S	*	*			trans	-81.7	99.7	166.1	-101.1	-93.6	0	0	0	108.9
284	D	30.6	Very low	35	Very low	120 Å²	120	140.6 Å²	140.6	64%	0.642	79%	0.787	S	S	*	*			trans	-100.7	127.2	155.8	-178.8	26	0	0	0	108.2	L282	L282-D284 PolarHBondContact O-N 3.35Å
285	F	30.7	Very low	34.8	Very low	187 Å²	187	139.2 Å²	139.2	82%	0.82	79%	0.789	S	S	*	*			trans	-127.9	88.3	167.5	-170.8	-99.1	0	0	0	107.5
286	S	33.3	Very low	34.6	Very low	85 Å²	85	143.2 Å²	143.2	59%	0.594	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-62	131.4	168.9	-80.5	0	0	0	0	111	N288	S286-N288 PolarHBondContact O-N 2.97Å
287	L	34.9	Very low	34.3	Very low	169 Å²	169	143.5 Å²	143.5	89%	0.885	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-55.9	125.1	165.7	-78.1	155.5	0	0	0	110.4
288	N	33.6	Very low	34.3	Very low	168 Å²	168	143.6 Å²	143.6	90%	0.898	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-91.7	122.8	165.6	-138.7	4.9	0	0	0	107.7	S286	S286-N288 PolarHBondContact O-N 2.97Å
289	F	30.3	Very low	33.6	Very low	195 Å²	195	142.2 Å²	142.2	86%	0.855	79%	0.792	S	S	*	*			trans	-120.4	142	177.8	-170.7	-99.6	0	0	0	110.2
290	A	30.7	Very low	33.4	Very low	74 Å²	74	141.3 Å²	141.3	61%	0.612	79%	0.787	S	S	*	*			trans	88.4	162.5	164.5	0	0	0	0	0	118.1
291	P	45.8	Very low	33.4	Very low	125 Å²	125	141.7 Å²	141.7	81%	0.812	79%	0.794	S	S	*	*			cis	-136	-173.9	-26.8	23.6	0.1	0	0	0	113
292	S	27.6	Very low	33	Very low	120 Å²	120	141 Å²	141	84%	0.839	79%	0.792	S	S	*	*			trans	124.9	141.3	152.3	-167.6	0	0	0	0	113.6
293	A	31	Very low	33	Very low	87 Å²	87	139.4 Å²	139.4	72%	0.719	79%	0.794	S	S	*	*			cis	-176.1	170.8	-22	0	0	0	0	0	107.2
294	H	32.3	Very low	33.2	Very low	203 Å²	203	133.7 Å²	133.7	94%	0.94	79%	0.79	S	S	*	*			trans	-70.3	165.6	-177.6	-64.7	-94.6	0	0	0	117
295	G	28.1	Very low	33.6	Very low	71 Å²	71	135.6 Å²	135.6	73%	0.732	80%	0.8	S	S	*	*			trans	149.1	102.2	154.6	0	0	0	0	0	112.5
296	Q	31.3	Very low	34.1	Very low	193 Å²	193	135 Å²	135	90%	0.902	81%	0.805	S	S	*	*				70.9	128.9	83.4	-91.7	-166.3	-19.4	0	0	117.9
297	E	31	Very low	34.5	Very low	157 Å²	157	136.2 Å²	136.2	73%	0.734	81%	0.813	S	S	*	*			trans	100.4	126.3	143	-83.7	-140.9	137	0	0	124.7
298	L	34.2	Very low	34.6	Very low	149 Å²	149	136 Å²	136	78%	0.78	81%	0.812	S	S	*	*			trans	77.4	126	141.4	-63.3	168.3	0	0	0	123.1
299	G	29.3	Very low	35	Very low	73 Å²	73	132.8 Å²	132.8	75%	0.753	80%	0.803	S	S	*	*				119.3	104	112.8	0	0	0	0	0	118.7
300	N	32.9	Very low	35.9	Very low	142 Å²	142	130.6 Å²	130.6	76%	0.759	80%	0.799	S	S	*	*			trans	-9.4	137.4	156.2	-77.5	35	0	0	0	119.4
301	T	39.4	Very low	36.6	Very low	147 Å²	147	134.1 Å²	134.1	90%	0.902	81%	0.813	S	S	*	*				-134.6	140.8	129.1	49.7	0	0	0	0	110.9
302	N	35.3	Very low	36.4	Very low	141 Å²	141	134 Å²	134	75%	0.754	81%	0.805	S	S	*	*			trans	-71.2	170.9	-169.6	-78.4	-38.3	0	0	0	115.6
303	S	38.5	Very low	37.3	Very low	126 Å²	126	137.4 Å²	137.4	88%	0.881	81%	0.805	S	S	*	*			trans	108	122.7	150.6	75.4	0	0	0	0	113.8
304	G	36.4	Very low	37.9	Very low	75 Å²	75	139.9 Å²	139.9	77%	0.773	81%	0.806	S	S	*	*			cis	-171.1	152.3	0.8	0	0	0	0	0	108.9
305	N	39.1	Very low	38.5	Very low	160 Å²	160	138.2 Å²	138.2	86%	0.856	80%	0.803	S	S	*	*			trans	-51.5	133.1	168.6	-86.5	-60	0	0	0	111.8
306	L	41.9	Very low	39.1	Very low	175 Å²	175	141.6 Å²	141.6	92%	0.916	80%	0.804	S	S	*	*			trans	-150.9	100.7	141.1	-72.9	-175.3	0	0	0	109.6
307	S	40.7	Very low	39.8	Very low	110 Å²	110	137.1 Å²	137.1	77%	0.769	80%	0.795	S	S	*	*			trans	-86.6	120.7	159.4	-178.6	0	0	0	0	107
308	L	36.7	Very low	40.4	Very low	164 Å²	164	137.9 Å²	137.9	86%	0.859	80%	0.796	S	S	*	*			trans	-153.5	120.2	157.1	-77.8	-171.8	0	0	0	111.3
309	S	43.3	Very low	40.8	Very low	102 Å²	102	136.7 Å²	136.7	71%	0.713	80%	0.8	S	S	*	*			trans	-56.2	165.4	162.8	54.1	0	0	0	0	114.5
310	L	47.8	Very low	41.6	Very low	149 Å²	149	143 Å²	143	78%	0.78	81%	0.81	S	S	*	*			trans	81	94.3	143.9	-151.8	76.9	0	0	0	117.3
311	V	45.6	Very low	42.3	Very low	147 Å²	147	139.9 Å²	139.9	89%	0.891	81%	0.811	S	S	*	*			trans	-135.5	91.2	135.8	-80	0	0	0	0	108.6
312	D	42.8	Very low	42.3	Very low	122 Å²	122	138.6 Å²	138.6	65%	0.652	81%	0.808	S	S	*	*			trans	-71.8	128	150.7	-149.3	-49.9	0	0	0	107.2
313	K	46.6	Very low	43.1	Very low	193 Å²	193	140.7 Å²	140.7	84%	0.839	82%	0.818	S	S	*	*			trans	-167.4	82	165.5	-121.3	167.2	172.9	173.8	0	110.2
314	D	42.5	Very low	43.2	Very low	138 Å²	138	137.5 Å²	137.5	74%	0.738	81%	0.805	S	S	*	*			trans	9	115.6	136.8	-55.4	-44.5	0	0	0	116.2
315	L	44.9	Very low	44	Very low	169 Å²	169	139.8 Å²	139.8	89%	0.885	81%	0.809	S	S	*	*			trans	-137.6	69.4	152.1	-144.2	114.5	0	0	0	109.2
316	D	41.1	Very low	44.7	Very low	141 Å²	141	138.8 Å²	138.8	75%	0.754	80%	0.799	S	S	*	*			trans	-70.8	117.1	154.6	-104.2	-32.5	0	0	0	108.2	F318	D316-F318 HydrophobicContact CB-CE2 4.34Å
317	S	46.5	Very low	44.5	Very low	100 Å²	100	137.8 Å²	137.8	70%	0.699	79%	0.787	S	S	*	*			trans	-153.6	85.4	152.7	-164.3	0	0	0	0	111.1
318	F	42.2	Very low	44.8	Very low	173 Å²	173	139 Å²	139	76%	0.759	78%	0.781	S	S	*	*			trans	16.3	112.6	132.2	-59.9	-90.7	0	0	0	117.2	D316	D316-F318 HydrophobicContact CB-CE2 4.34Å
319	S	42.8	Very low	45	Very low	123 Å²	123	138.9 Å²	138.9	86%	0.86	77%	0.774	S	S	*	*				-172.2	77.3	128.1	53.2	0	0	0	0	109.2
320	E	47	Very low	45.3	Very low	206 Å²	206	138.2 Å²	138.2	96%	0.963	77%	0.767	S	S	*	*			trans	-76.4	123.5	158.9	-169.8	165.7	-162.1	0	0	107.6
321	G	47.6	Very low	45.3	Very low	76 Å²	76	138.8 Å²	138.8	78%	0.784	77%	0.771	S	S	*	*			trans	148.9	66.8	178.3	0	0	0	0	0	114.1
322	S	39.9	Very low	45.4	Very low	120 Å²	120	140.2 Å²	140.2	84%	0.839	76%	0.762	S	S	*	*			trans	-152.4	114.9	150.4	-167.2	0	0	0	0	110.7	G324	S322-G324 PolarHBondContact O-N 2.74Å
323	L	51.1	Low	45.9	Very low	186 Å²	186	139.8 Å²	139.8	97%	0.974	77%	0.767	S	S	*	*			trans	-46.4	93.6	176.8	-61	160.9	0	0	0	112.5
324	G	41.3	Very low	46.2	Very low	58 Å²	58	132.9 Å²	132.9	60%	0.598	74%	0.741	S	S	*	*			trans	-137.2	92	173.9	0	0	0	0	0	109.5	S322 H326	S322-G324 PolarHBondContact O-N 2.74Å; G324-H326 PolarHBondContact O-N 3.4Å
325	S	52.5	Low	46.9	Very low	123 Å²	123	131.6 Å²	131.6	86%	0.86	74%	0.74	S	S	*	*			trans	9.7	76.2	165.2	63.5	0	0	0	0	115.7	F327	S325-F327 PolarHBondContact O-N 2.82Å
326	H	54.6	Low	47.2	Very low	140 Å²	140	130.6 Å²	130.6	65%	0.648	73%	0.731	S	S	*	*			trans	-70.7	85.5	162.4	-172.7	55	0	0	0	106.5	G324 E328	G324-H326 PolarHBondContact O-N 3.4Å; H326-E328 IonicContact CD2-OE1 2.92Å; H326-E328 IonicContact CD2-OE2 3.44Å; H326-E328 PolarHBondContact CD2-OE2 3.27Å; H326-E328 IonicContact CE1-OE1 3.03Å; H326-E328 IonicContact NE2-OE1 2.86Å; H326-E328 PolarHBondContact NE2-OE1 3.34Å; H326-E328 IonicContact NE2-OE2 2.84Å; H326-E328 PolarHBondContact NE2-OE2 3.22Å; H326-E328 PolarHBondContact O-N 3.36Å
327	F	37.5	Very low	47.6	Very low	153 Å²	153	127.5 Å²	127.5	67%	0.671	71%	0.714	S	S	*	*			trans	-73.1	79.1	167.9	-165.5	-83.4	0	0	0	106.3	S325 F329	S325-F327 PolarHBondContact O-N 2.82Å; F327-F329 AromaticContact CD1-CD2 3.4Å; F327-F329 HydrophobicContact CD1-CD2 3.4Å; F327-F329 HydrophobicContact CD1-CE1 4.46Å; F327-F329 AromaticContact CD1-CE2 3.33Å; F327-F329 HydrophobicContact CD1-CE2 3.33Å; F327-F329 HydrophobicContact CD1-CG 4.02Å; F327-F329 AromaticContact CD1-CZ 3.91Å; F327-F329 HydrophobicContact CD1-CZ 3.91Å; F327-F329 AromaticContact CE1-CD1 3.77Å; F327-F329 HydrophobicContact CE1-CD1 3.77Å; F327-F329 AromaticContact CE1-CD2 3.47Å; F327-F329 HydrophobicContact CE1-CD2 3.47Å; F327-F329 VanDerWaalsContact CE1-CD2 3.47Å; F327-F329 AromaticContact CE1-CE1 3.57Å; F327-F329 HydrophobicContact CE1-CE1 3.57Å; F327-F329 AromaticContact CE1-CE2 3.25Å; F327-F329 HydrophobicContact CE1-CE2 3.25Å; F327-F329 AromaticContact CE1-CG 3.72Å; F327-F329 HydrophobicContact CE1-CG 3.72Å; F327-F329 AromaticContact CE1-CZ 3.3Å; F327-F329 HydrophobicContact CE1-CZ 3.3Å; F327-F329 HydrophobicContact CZ-CE1 4.37Å; F327-F329 HydrophobicContact CZ-CE2 4.47Å; F327-F329 HydrophobicContact CZ-CZ 4.23Å; F327-F329 PolarHBondContact O-N 2.88Å; F327-F329 VanDerWaalsContact O-N 3.1Å
328	E	46.4	Very low	47.8	Very low	135 Å²	135	126.2 Å²	126.2	63%	0.631	71%	0.705	S	S	*	*			trans	-71.1	99.2	169.1	-160	138.9	-135.7	0	0	105.6	H326 P330	H326-E328 IonicContact CD2-OE1 2.92Å; H326-E328 IonicContact CD2-OE2 3.44Å; H326-E328 PolarHBondContact CD2-OE2 3.27Å; H326-E328 IonicContact CE1-OE1 3.03Å; H326-E328 IonicContact NE2-OE1 2.86Å; H326-E328 PolarHBondContact NE2-OE1 3.34Å; H326-E328 IonicContact NE2-OE2 2.84Å; H326-E328 PolarHBondContact NE2-OE2 3.22Å; H326-E328 PolarHBondContact O-N 3.36Å; E328-P330 WeakPolarHBondContact O-CD 3.28Å; E328-P330 VanDerWaalsContact O-N 3.11Å
329	F	40.8	Very low	48.5	Very low	163 Å²	163	124.8 Å²	124.8	72%	0.715	70%	0.701	S	S	*	*			trans	-56.8	118	164.7	-86.8	-89.2	0	0	0	105.8	F327 D331	F327-F329 AromaticContact CD1-CD2 3.4Å; F327-F329 HydrophobicContact CD1-CD2 3.4Å; F327-F329 HydrophobicContact CD1-CE1 4.46Å; F327-F329 AromaticContact CD1-CE2 3.33Å; F327-F329 HydrophobicContact CD1-CE2 3.33Å; F327-F329 HydrophobicContact CD1-CG 4.02Å; F327-F329 AromaticContact CD1-CZ 3.91Å; F327-F329 HydrophobicContact CD1-CZ 3.91Å; F327-F329 AromaticContact CE1-CD1 3.77Å; F327-F329 HydrophobicContact CE1-CD1 3.77Å; F327-F329 AromaticContact CE1-CD2 3.47Å; F327-F329 HydrophobicContact CE1-CD2 3.47Å; F327-F329 VanDerWaalsContact CE1-CD2 3.47Å; F327-F329 AromaticContact CE1-CE1 3.57Å; F327-F329 HydrophobicContact CE1-CE1 3.57Å; F327-F329 AromaticContact CE1-CE2 3.25Å; F327-F329 HydrophobicContact CE1-CE2 3.25Å; F327-F329 AromaticContact CE1-CG 3.72Å; F327-F329 HydrophobicContact CE1-CG 3.72Å; F327-F329 AromaticContact CE1-CZ 3.3Å; F327-F329 HydrophobicContact CE1-CZ 3.3Å; F327-F329 HydrophobicContact CZ-CE1 4.37Å; F327-F329 HydrophobicContact CZ-CE2 4.47Å; F327-F329 HydrophobicContact CZ-CZ 4.23Å; F327-F329 PolarHBondContact O-N 2.88Å; F327-F329 VanDerWaalsContact O-N 3.1Å; F329-D331 PolarHBondContact O-N 3.27Å
330	P	50.5	Low	49	Very low	88 Å²	88	125.9 Å²	125.9	57%	0.571	69%	0.694	S	S	*	*			trans	-53.3	136.3	171.3	-20.9	32.4	0	0	0	107.1	E328 Y332	E328-P330 WeakPolarHBondContact O-CD 3.28Å; E328-P330 VanDerWaalsContact O-N 3.11Å; P330-Y332 HydrophobicContact CB-CD2 4.22Å; P330-Y332 HydrophobicContact CB-CE2 4.19Å; P330-Y332 WeakPolarHBondContact O-CD2 3.49Å; P330-Y332 PolarHBondContact O-N 3.44Å
331	D	47.8	Very low	49.3	Very low	160 Å²	160	122.2 Å²	122.2	86%	0.856	68%	0.68	S	S	*	*			trans	-52.1	78.2	176.3	-68.9	-52.6	0	0	0	111.9	F329 C333	F329-D331 PolarHBondContact O-N 3.27Å; D331-C333 PolarHBondContact O-N 2.93Å
332	Y	47.7	Very low	49.5	Very low	178 Å²	178	122.6 Å²	122.6	70%	0.698	68%	0.675	S	S	*	*			trans	-86	40.5	162.1	-79.6	-79	0	0	0	108.9	P330 T334 L337	P330-Y332 HydrophobicContact CB-CD2 4.22Å; P330-Y332 HydrophobicContact CB-CE2 4.19Å; P330-Y332 WeakPolarHBondContact O-CD2 3.49Å; P330-Y332 PolarHBondContact O-N 3.44Å; Y332-T334 HydrophobicContact CD1-CG2 4.4Å; Y332-T334 PolarHBondContact O-N 3.41Å; Y332-L337 WeakPolarHBondContact O-CD1 3.42Å
333	C	52.1	Low	49.9	Very low	112 Å²	112	118.5 Å²	118.5	76%	0.757	65%	0.652	S	S	*	*			trans	-81.1	67.5	158.3	-134.5	0	0	0	0	107	D331	D331-C333 PolarHBondContact O-N 2.93Å
334	T	54.1	Low	49.8	Very low	48 Å²	48	114.1 Å²	114.1	29%	0.294	63%	0.63	S	S	.	*			trans	-65.8	140.5	170.3	50.7	0	0	0	0	108.2	Y332 E336 L337	Y332-T334 HydrophobicContact CD1-CG2 4.4Å; Y332-T334 PolarHBondContact O-N 3.41Å; T334-E336 PolarHBondContact O-N 3.14Å; T334-L337 PolarHBondContact O-N 3.02Å
335	P	56.1	Low	50.1	Low	112 Å²	112	123.3 Å²	123.3	73%	0.727	65%	0.647	S	S	*	*	H	α-helix	trans	-53.7	-28.3	174.9	-24.6	33.2	0	0	0	112.7	L337 S338 E339	P335-L337 PolarHBondContact O-N 2.89Å; P335-S338 PolarHBondContact O-N 2.95Å; P335-E339 WeakPolarHBondContact O-CB 3.47Å; P335-E339 PolarHBondContact O-N 3.11Å
336	E	51	Low	49.8	Very low	148 Å²	148	125.3 Å²	125.3	69%	0.692	65%	0.647	S	S	*	*	H	α-helix	trans	-63.6	-35	175.9	-77.7	176	141.7	0	0	113.7	T334 E339 M340	T334-E336 PolarHBondContact O-N 3.14Å; E336-E339 PolarHBondContact O-N 2.86Å; E336-M340 WeakPolarHBondContact O-CB 3.4Å; E336-M340 PolarHBondContact O-N 3.25Å
337	L	48.9	Very low	49.2	Very low	75 Å²	75	124 Å²	124	39%	0.393	64%	0.641	S	S	.	*	H	α-helix	trans	-74.6	-37.3	177.2	-81.6	168.2	0	0	0	111.9	Y332 T334 P335 E339 M340 I341	Y332-L337 WeakPolarHBondContact O-CD1 3.42Å; T334-L337 PolarHBondContact O-N 3.02Å; P335-L337 PolarHBondContact O-N 2.89Å; L337-E339 PolarHBondContact O-N 3.23Å; L337-M340 HydrophobicContact CD2-CE 4.1Å; L337-M340 PolarHBondContact O-N 3.2Å; L337-I341 WeakPolarHBondContact O-CD1 3.26Å; L337-I341 VanDerWaalsContact O-CG1 3.22Å; L337-I341 WeakPolarHBondContact O-CG1 3.46Å; L337-I341 PolarHBondContact O-N 3.36Å
338	S	51.5	Low	49.7	Very low	74 Å²	74	119.9 Å²	119.9	52%	0.517	64%	0.635	S	S	.	*	H	α-helix	trans	-64.6	-33.7	171.6	-174.3	0	0	0	0	111.1	P335 A342	P335-S338 PolarHBondContact O-N 2.95Å; S338-A342 WeakPolarHBondContact O-CA 3.47Å; S338-A342 WeakPolarHBondContact O-CB 3.37Å; S338-A342 PolarHBondContact O-N 3.1Å
339	E	56.6	Low	49.7	Very low	143 Å²	143	116.7 Å²	116.7	67%	0.668	62%	0.622	S	S	*	*	H	α-helix	trans	-73.7	-32.3	175.4	-160.5	170.8	-165.9	0	0	112.1	P335 E336 L337 I341 G343	P335-E339 WeakPolarHBondContact O-CB 3.47Å; P335-E339 PolarHBondContact O-N 3.11Å; E336-E339 PolarHBondContact O-N 2.86Å; L337-E339 PolarHBondContact O-N 3.23Å; E339-I341 VanDerWaalsContact C-N 3.34Å; E339-G343 WeakPolarHBondContact O-CA 3.2Å; E339-G343 PolarHBondContact O-N 3.02Å
340	M	54	Low	50.2	Low	145 Å²	145	113.4 Å²	113.4	71%	0.714	61%	0.608	S	S	*	*	H	α-helix	trans	-72.2	-25.7	174.4	-135.7	176.3	67.1	0	0	113.6	E336 L337	E336-M340 WeakPolarHBondContact O-CB 3.4Å; E336-M340 PolarHBondContact O-N 3.25Å; L337-M340 HydrophobicContact CD2-CE 4.1Å; L337-M340 PolarHBondContact O-N 3.2Å
341	I	53.6	Low	50.2	Low	130 Å²	130	111.3 Å²	111.3	67%	0.667	60%	0.595	S	S	*	*	H	α-helix	trans	-94.7	-30.5	177	-58.2	162.5	0	0	0	111	L337 E339	L337-I341 WeakPolarHBondContact O-CD1 3.26Å; L337-I341 VanDerWaalsContact O-CG1 3.22Å; L337-I341 WeakPolarHBondContact O-CG1 3.46Å; L337-I341 PolarHBondContact O-N 3.36Å; E339-I341 VanDerWaalsContact C-N 3.34Å
342	A	51.2	Low	50.4	Low	83 Å²	83	108.7 Å²	108.7	69%	0.686	58%	0.581	S	S	*	*	H	α-helix	trans	-89	-22.4	178.7	0	0	0	0	0	113.7	S338	S338-A342 WeakPolarHBondContact O-CA 3.47Å; S338-A342 WeakPolarHBondContact O-CB 3.37Å; S338-A342 PolarHBondContact O-N 3.1Å
343	G	48.8	Very low	50.7	Low	35 Å²	35	101.5 Å²	101.5	36%	0.361	56%	0.555	S	S	.	*	S	Bend	trans	-83.6	129.5	167.4	0	0	0	0	0	110.2	E339	E339-G343 WeakPolarHBondContact O-CA 3.2Å; E339-G343 PolarHBondContact O-N 3.02Å
344	D	49.3	Very low	50.5	Low	94 Å²	94	97.1 Å²	97.1	50%	0.503	52%	0.524	S	S	.	.			trans	79.3	23.4	156.8	-67.4	-10.9	0	0	0	121.3	L346 E347	D344-L346 PolarHBondContact O-N 2.89Å; D344-E347 HydrophobicContact CB-CB 3.77Å; D344-E347 HydrophobicContact CB-CG 4.28Å; D344-E347 VanDerWaalsContact CG-CD 3.49Å; D344-E347 CarbonylContact O-C 3.41Å; D344-E347 PolarHBondContact O-N 3.47Å; D344-E347 VanDerWaalsContact OD1-CD 3.31Å; D344-E347 WeakPolarHBondContact OD1-CG 3.43Å
345	W	47.1	Very low	50	Low	251 Å²	251	99.7 Å²	99.7	95%	0.951	53%	0.531	S	S	*	.	S	Bend	trans	-66.8	-13.4	153.5	-122.5	54.7	0	0	0	113.3
346	L	45.3	Very low	49.1	Very low	164 Å²	164	98.7 Å²	98.7	86%	0.859	52%	0.523	S	S	*	.	S	Bend	trans	-92.9	-16.7	171	-86.1	157.4	0	0	0	113.6	D344	D344-L346 PolarHBondContact O-N 2.89Å
347	E	41.7	Very low	48.3	Very low	114 Å²	114	104.3 Å²	104.3	53%	0.533	54%	0.54	S	S	.	.			trans	-100.4	41	167.6	-60.3	-169.9	175.1	0	0	111.5	D344 N349	D344-E347 HydrophobicContact CB-CB 3.77Å; D344-E347 HydrophobicContact CB-CG 4.28Å; D344-E347 VanDerWaalsContact CG-CD 3.49Å; D344-E347 CarbonylContact O-C 3.41Å; D344-E347 PolarHBondContact O-N 3.47Å; D344-E347 VanDerWaalsContact OD1-CD 3.31Å; D344-E347 WeakPolarHBondContact OD1-CG 3.43Å; E347-N349 VanDerWaalsContact O-CA 3.31Å; E347-N349 WeakPolarHBondContact O-CA 3.42Å; E347-N349 PolarHBondContact O-N 3.48Å
348	A	48.3	Very low	48.3	Very low	65 Å²	65	105.8 Å²	105.8	54%	0.537	55%	0.548	S	S	.	.	S	Bend	trans	-54.2	93.8	148	0	0	0	0	0	106.4	F350	A348-F350 PolarHBondContact O-N 3.19Å; A348-F350 VanDerWaalsContact O-N 3.15Å
349	N	47.7	Very low	48.1	Very low	68 Å²	68	107.4 Å²	107.4	36%	0.364	55%	0.549	S	S	.	.			trans	-54.8	122.2	-152.1	-139.3	-86	0	0	0	107.6	E347 S351 D352 L353	E347-N349 VanDerWaalsContact O-CA 3.31Å; E347-N349 WeakPolarHBondContact O-CA 3.42Å; E347-N349 PolarHBondContact O-N 3.48Å; N349-S351 CarbonylContact O-C 3.43Å; N349-S351 PolarHBondContact O-N 3.45Å; N349-S351 WeakPolarHBondContact OD1-CB 3.18Å; N349-S351 PolarHBondContact OD1-OG 3.46Å; N349-D352 HydrophobicContact CB-CB 4.09Å; N349-D352 PolarHBondContact O-N 3.45Å; N349-L353 PolarHBondContact O-N 3.22Å
350	F	50.7	Low	47.7	Very low	94 Å²	94	105.4 Å²	105.4	41%	0.412	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-30.1	174.4	-71.6	-83.3	0	0	0	110.8	I59 F95 A348	I59-F350 HydrophobicContact CD1-CD1 3.74Å; I59-F350 HydrophobicContact CD1-CE1 3.96Å; F95-F350 HydrophobicContact CE1-CD1 4.04Å; F95-F350 AromaticContact CE1-CE1 3.58Å; F95-F350 HydrophobicContact CE1-CE1 3.58Å; F95-F350 AromaticContact CZ-CE1 3.85Å; F95-F350 HydrophobicContact CZ-CE1 3.85Å; A348-F350 PolarHBondContact O-N 3.19Å; A348-F350 VanDerWaalsContact O-N 3.15Å
351	S	50.6	Low	47.3	Very low	44 Å²	44	103.1 Å²	103.1	31%	0.308	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-54.2	169.3	-43.8	0	0	0	0	112.7	N349 L353 V354 F355	N349-S351 CarbonylContact O-C 3.43Å; N349-S351 PolarHBondContact O-N 3.45Å; N349-S351 WeakPolarHBondContact OD1-CB 3.18Å; N349-S351 PolarHBondContact OD1-OG 3.46Å; S351-L353 VanDerWaalsContact C-N 3.3Å; S351-L353 PolarHBondContact O-N 3.45Å; S351-V354 PolarHBondContact O-N 3.45Å; S351-F355 WeakPolarHBondContact O-CD2 3.4Å; S351-F355 PolarHBondContact O-N 3.43Å
352	D	52	Low	46.9	Very low	106 Å²	106	101.4 Å²	101.4	57%	0.567	52%	0.524	S	S	*	.	H	α-helix	trans	-62.9	-34	-176	-90.9	9.7	0	0	0	113.1	N349 V354 F355 T356	N349-D352 HydrophobicContact CB-CB 4.09Å; N349-D352 PolarHBondContact O-N 3.45Å; D352-V354 PolarHBondContact O-N 3.49Å; D352-F355 PolarHBondContact O-N 3.47Å; D352-T356 PolarHBondContact O-N 3.19Å
353	L	54.3	Low	46.6	Very low	27 Å²	27	102.7 Å²	102.7	14%	0.141	51%	0.513	C	S	.	.	H	α-helix	trans	-67.8	-18.8	176.6	-84.8	79.4	0	0	0	113.2	K58 I59 R62 N349 S351	K58-L353 VanDerWaalsContact CE-O 3.27Å; K58-L353 WeakPolarHBondContact CE-O 3.16Å; K58-L353 PolarHBondContact NZ-O 3.36Å; I59-L353 HydrophobicContact CB-CD2 3.91Å; I59-L353 HydrophobicContact CD1-CD2 3.97Å; I59-L353 HydrophobicContact CG1-CD2 3.54Å; I59-L353 HydrophobicContact CG2-CD2 3.61Å; R62-L353 VanDerWaalsContact NH1-CG 3.26Å; N349-L353 PolarHBondContact O-N 3.22Å; S351-L353 VanDerWaalsContact C-N 3.3Å; S351-L353 PolarHBondContact O-N 3.45Å
354	V	47.5	Very low	46.5	Very low	19 Å²	19	107.5 Å²	107.5	12%	0.115	52%	0.524	C	S	.	.	H	α-helix	trans	-90.7	-25.8	176.1	179.6	0	0	0	0	111.7	M50 L102 S351 D352	M50-V354 HydrophobicContact CE-CG1 3.78Å; M50-V354 HydrophobicContact CE-CG2 4.08Å; L102-V354 HydrophobicContact CD2-CG1 4.43Å; S351-V354 PolarHBondContact O-N 3.45Å; D352-V354 PolarHBondContact O-N 3.49Å
355	F	44.3	Very low	46.2	Very low	102 Å²	102	108.5 Å²	108.5	45%	0.447	53%	0.526	S	S	.	.	H	α-helix	trans	-100	-6.7	-170.8	-67.1	-64.3	0	0	0	117.1	S351 D352 Y357	S351-F355 WeakPolarHBondContact O-CD2 3.4Å; S351-F355 PolarHBondContact O-N 3.43Å; D352-F355 PolarHBondContact O-N 3.47Å; F355-Y357 PolarHBondContact O-N 3.41Å; F355-Y357 VanDerWaalsContact O-N 3.12Å
356	T	36.6	Very low	46.2	Very low	91 Å²	91	96.7 Å²	96.7	56%	0.558	49%	0.49	S	S	*	.			trans	-78.7	97.8	171.1	61.8	0	0	0	0	111.1	D352	D352-T356 PolarHBondContact O-N 3.19Å
357	Y	35	Very low	46.2	Very low	266 Å²	266	90.5 Å²	90.5	100%	1.043	46%	0.457	S	S	*	.			trans	-142.5	0	158.3	-93	-71.2	0	0	0	110.7	F355	F355-Y357 PolarHBondContact O-N 3.41Å; F355-Y357 VanDerWaalsContact O-N 3.12Å

Retrieved 357 of 357 residues in 553.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).