A0A087YNE8_POEFO Loading...

Superoxide dismutase

Destroys radicals which are normally produced within the cells and which are toxic to biological systems. Destroys superoxide anion radicals which are normally produced within the cells and which are toxic to biological systems.

AlphaFold DB , UniProt , Accession A0A087YNE8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 225 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	44.6	Very low	42.2	Very low	235 Å²	235	169.4 Å²	169.4	100%	1.158	87%	0.869	S	S	*	*				0	136.3	0	-126	174	-164.2	0	0	107.6
2	L	40.1	Very low	42.5	Very low	165 Å²	165	162.9 Å²	162.9	86%	0.864	86%	0.86	S	S	*	*			trans	79	94.4	177.3	-58.7	141	0	0	0	114.2
3	C	37.9	Very low	42.6	Very low	124 Å²	124	159.6 Å²	159.6	84%	0.838	85%	0.85	S	S	*	*				55.3	109.9	70.2	-95.6	0	0	0	0	115.8
4	R	39.5	Very low	42.8	Very low	243 Å²	243	156 Å²	156	92%	0.917	84%	0.843	S	S	*	*			trans	176.5	112.4	130.3	-95.2	165.2	-176.3	-122.8	1.5	108
5	A	40.6	Very low	43	Very low	100 Å²	100	155.1 Å²	155.1	83%	0.826	84%	0.837	S	S	*	*				53.7	113.8	91.9	0	0	0	0	0	110.9
6	G	42.4	Very low	43.2	Very low	69 Å²	69	151.3 Å²	151.3	71%	0.711	83%	0.826	S	S	*	*			cis	123.7	120.9	27.6	0	0	0	0	0	106
7	E	39.1	Very low	43.3	Very low	183 Å²	183	151.5 Å²	151.5	86%	0.855	82%	0.82	S	S	*	*			trans	-167.3	101	162.2	-113.6	169.3	-153.5	0	0	111	R9	E7-R9 PolarHBondContact O-N 2.75Å
8	I	47	Very low	43.3	Very low	156 Å²	156	149 Å²	149	80%	0.8	82%	0.816	S	S	*	*			trans	-79.1	108.3	166.3	-64	170	0	0	0	106.4	R10	I8-R10 HydrophobicContact CG2-CG 4.37Å; I8-R10 PolarHBondContact O-N 2.86Å
9	R	44.9	Very low	43.4	Very low	233 Å²	233	148.1 Å²	148.1	88%	0.879	81%	0.808	S	S	*	*			trans	-71.2	93.4	169.7	-78.2	-174.4	174.3	-155.1	-1.1	109.7	E7 C11	E7-R9 PolarHBondContact O-N 2.75Å; R9-C11 PolarHBondContact O-N 2.86Å
10	R	46.1	Very low	43.3	Very low	231 Å²	231	146.2 Å²	146.2	87%	0.872	81%	0.805	S	S	*	*			trans	-77.5	105.5	160	-83.4	-178	174.1	-173.2	-1.8	108.3	I8 A12	I8-R10 HydrophobicContact CG2-CG 4.37Å; I8-R10 PolarHBondContact O-N 2.86Å; R10-A12 PolarHBondContact O-N 3.02Å; R10-A12 VanDerWaalsContact O-N 3.1Å
11	C	41.8	Very low	43.4	Very low	124 Å²	124	148.1 Å²	148.1	84%	0.838	81%	0.806	S	S	*	*			trans	-72.8	97.2	167.7	-155.4	0	0	0	0	107.7	R9 V13	R9-C11 PolarHBondContact O-N 2.86Å; C11-V13 PolarHBondContact O-N 3.28Å
12	A	46.1	Very low	43.3	Very low	92 Å²	92	143.9 Å²	143.9	76%	0.76	79%	0.786	S	S	*	*			trans	-72.9	108.1	173.8	0	0	0	0	0	108.7	R10 S14	R10-A12 PolarHBondContact O-N 3.02Å; R10-A12 VanDerWaalsContact O-N 3.1Å; A12-S14 PolarHBondContact O-N 3.44Å; A12-S14 VanDerWaalsContact O-N 3.16Å
13	V	43.9	Very low	43.6	Very low	120 Å²	120	140.5 Å²	140.5	73%	0.727	78%	0.782	S	S	*	*			trans	-71.2	104.7	167.8	-179.7	0	0	0	0	107.1	C11 L15	C11-V13 PolarHBondContact O-N 3.28Å; V13-L15 HydrophobicContact CG1-CD1 4.22Å; V13-L15 PolarHBondContact O-N 3.41Å; V13-L15 VanDerWaalsContact O-N 3.13Å
14	S	45.3	Very low	44.2	Very low	109 Å²	109	138.5 Å²	138.5	76%	0.762	77%	0.774	S	S	*	*			trans	-72.1	98	168.2	177.1	0	0	0	0	108.4	A12 S16	A12-S14 PolarHBondContact O-N 3.44Å; A12-S14 VanDerWaalsContact O-N 3.16Å; S14-S16 VanDerWaalsContact C-N 3.33Å; S14-S16 PolarHBondContact O-N 2.93Å; S14-S16 VanDerWaalsContact O-N 3.09Å
15	L	45.9	Very low	44.4	Very low	142 Å²	142	132.4 Å²	132.4	74%	0.743	77%	0.769	S	S	*	*			trans	-72.9	93.2	162.6	-95.9	111.5	0	0	0	107.9	V13 Q17	V13-L15 HydrophobicContact CG1-CD1 4.22Å; V13-L15 PolarHBondContact O-N 3.41Å; V13-L15 VanDerWaalsContact O-N 3.13Å; L15-Q17 VanDerWaalsContact C-N 3.31Å; L15-Q17 PolarHBondContact O-N 3.4Å
16	S	46.2	Very low	45.2	Very low	95 Å²	95	137 Å²	137	66%	0.664	77%	0.765	S	S	*	*			trans	-66.2	93.9	162.4	-178.1	0	0	0	0	108.2	S14 S18	S14-S16 VanDerWaalsContact C-N 3.33Å; S14-S16 PolarHBondContact O-N 2.93Å; S14-S16 VanDerWaalsContact O-N 3.09Å; S16-S18 VanDerWaalsContact C-N 3.27Å; S16-S18 PolarHBondContact O-N 2.89Å
17	Q	44.6	Very low	46.5	Very low	154 Å²	154	142.3 Å²	142.3	72%	0.72	77%	0.771	S	S	*	*			trans	-70.1	88.4	166.6	-75.7	179.6	-15.9	0	0	108.5	L15 I19	L15-Q17 VanDerWaalsContact C-N 3.31Å; L15-Q17 PolarHBondContact O-N 3.4Å; Q17-I19 HydrophobicContact CB-CG1 4.47Å; Q17-I19 PolarHBondContact O-N 2.89Å
18	S	42.7	Very low	49	Very low	107 Å²	107	140.5 Å²	140.5	75%	0.748	76%	0.76	S	S	*	*			trans	-69.7	87.4	162	-69	0	0	0	0	108.2	S16 C20	S16-S18 VanDerWaalsContact C-N 3.27Å; S16-S18 PolarHBondContact O-N 2.89Å; S18-C20 PolarHBondContact O-N 3.42Å
19	I	46.5	Very low	51.4	Low	131 Å²	131	135.7 Å²	135.7	67%	0.672	73%	0.734	S	S	*	*			trans	-69.4	100	168.6	-62.6	169.6	0	0	0	106.6	Q17 K21	Q17-I19 HydrophobicContact CB-CG1 4.47Å; Q17-I19 PolarHBondContact O-N 2.89Å; I19-K21 VanDerWaalsContact C-N 3.35Å; I19-K21 HydrophobicContact CG2-CG 4.46Å; I19-K21 PolarHBondContact O-N 3.47Å
20	C	40.6	Very low	53.9	Low	111 Å²	111	129.6 Å²	129.6	75%	0.75	72%	0.723	S	S	*	*			trans	-65.2	97.2	167.8	-160.7	0	0	0	0	107.5	S18 I22	S18-C20 PolarHBondContact O-N 3.42Å; C20-I22 VanDerWaalsContact C-N 3.25Å; C20-I22 PolarHBondContact O-N 3.39Å
21	K	45.2	Very low	56.4	Low	187 Å²	187	121.2 Å²	121.2	81%	0.813	70%	0.695	S	S	*	*			trans	-68.8	89	168.5	-74.3	-176.5	179.4	178.5	0	107.6	I19 A23	I19-K21 VanDerWaalsContact C-N 3.35Å; I19-K21 HydrophobicContact CG2-CG 4.46Å; I19-K21 PolarHBondContact O-N 3.47Å; K21-A23 PolarHBondContact O-N 3.14Å
22	I	43.3	Very low	59.1	Low	145 Å²	145	117.1 Å²	117.1	74%	0.744	67%	0.668	S	S	*	*			trans	-70.2	89.7	161.8	-57.3	174.6	0	0	0	105.6	C20 A24	C20-I22 VanDerWaalsContact C-N 3.25Å; C20-I22 PolarHBondContact O-N 3.39Å; I22-A24 PolarHBondContact O-N 3.32Å
23	A	46.8	Very low	61.6	Low	94 Å²	94	119.9 Å²	119.9	78%	0.777	67%	0.669	S	S	*	*			trans	-68.2	91.7	163.8	0	0	0	0	0	106.6	K21 S25	K21-A23 PolarHBondContact O-N 3.14Å; A23-S25 PolarHBondContact O-N 3.26Å
24	A	49	Very low	64.2	Low	82 Å²	82	115.7 Å²	115.7	68%	0.678	64%	0.643	S	S	*	*			trans	-61.9	103.6	167.3	0	0	0	0	0	107.4	I22 R26	I22-A24 PolarHBondContact O-N 3.32Å; A24-R26 VanDerWaalsContact C-N 3.27Å; A24-R26 PolarHBondContact O-N 2.79Å
25	S	44.4	Very low	66.6	Low	115 Å²	115	116.7 Å²	116.7	80%	0.804	65%	0.645	S	S	*	*			trans	-63.5	94.9	164.1	176.1	0	0	0	0	106.9	A23 Q27	A23-S25 PolarHBondContact O-N 3.26Å; S25-Q27 PolarHBondContact O-N 2.55Å
26	R	57.5	Low	69.1	Low	197 Å²	197	111.1 Å²	111.1	74%	0.743	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-77	119.7	173.3	-133	-179.9	-166.6	-144.2	3.9	106.8	A24 E69	A24-R26 VanDerWaalsContact C-N 3.27Å; A24-R26 PolarHBondContact O-N 2.79Å; R26-E69 IonicContact NH1-OE1 3.21Å
27	Q	70.4	Confident	71.6	Confident	181 Å²	181	113.1 Å²	113.1	85%	0.846	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-66	135.8	170.9	-72.8	-176.3	-29.6	0	0	108.8	S25	S25-Q27 PolarHBondContact O-N 2.55Å
28	K	90.6	Very high	74.2	Confident	144 Å²	144	109.3 Å²	109.3	63%	0.626	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-58.5	149	172.2	-69.7	-176.6	178.3	-178.2	0	109.6
29	H	97.6	Very high	76.8	Confident	55 Å²	55	105.9 Å²	105.9	26%	0.255	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-61.2	142.7	172.8	-58.8	-80.5	0	0	0	110.1	V62 L65 N66 E69 H98	H29-V62 HydrophobicContact CB-CG1 4.16Å; H29-V62 VanDerWaalsContact O-CG1 3.31Å; H29-V62 WeakPolarHBondContact O-CG1 3.4Å; H29-L65 HydrophobicContact CB-CD2 4.36Å; H29-L65 VanDerWaalsContact CD2-CD2 3.47Å; H29-L65 WeakPolarHBondContact CD2-CD2 3.41Å; H29-N66 PolarHBondContact CD2-OD1 3.22Å; H29-N66 PolarHBondContact N-OD1 2.75Å; H29-N66 PolarHBondContact O-ND2 3.41Å; H29-E69 IonicContact CD2-OE2 3.17Å; H29-E69 PolarHBondContact CD2-OE2 2.65Å; H29-E69 VanDerWaalsContact CD2-OE2 3.31Å; H29-E69 IonicContact NE2-OE1 3.46Å; H29-E69 PolarHBondContact NE2-OE1 2.87Å; H29-E69 IonicContact NE2-OE2 3.31Å; H29-E69 PolarHBondContact NE2-OE2 3.2Å; H29-H98 AromaticContact ND1-CD2 3.81Å; H29-H98 AromaticContact ND1-NE2 3.89Å
30	T	97.8	Very high	79.3	Confident	106 Å²	106	101.1 Å²	101.1	65%	0.65	56%	0.559	S	S	*	*			trans	-121.6	150.9	178.3	56.3	0	0	0	0	110.5	P32 H98	T30-P32 WeakPolarHBondContact O-CD 3.3Å; T30-H98 PolarHBondContact O-CE1 3.08Å
31	L	98.4	Very high	82.1	Confident	54 Å²	54	95.9 Å²	95.9	28%	0.283	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-70	120	169.4	-176.9	69.2	0	0	0	108	H54 H58 A59 V62	L31-H54 WeakPolarHBondContact CG-NE2 3.21Å; L31-H58 HydrophobicContact CD1-CB 3.7Å; L31-H58 VanDerWaalsContact CD1-CG 3.45Å; L31-H58 WeakPolarHBondContact CD1-ND1 3.49Å; L31-A59 HydrophobicContact CD1-CB 4.49Å; L31-A59 HydrophobicContact CD2-CB 4Å; L31-V62 HydrophobicContact CD1-CG2 4.44Å
32	P	98.1	Very high	84.6	Confident	39 Å²	39	92.2 Å²	92.2	25%	0.253	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-71.2	139.6	178.4	29.2	-34.4	0	0	0	110.3	T30 H54 H58 T102	T30-P32 WeakPolarHBondContact O-CD 3.3Å; P32-H54 PolarHBondContact O-NE2 2.83Å; P32-H58 VanDerWaalsContact CD-CE1 3.43Å; P32-H58 WeakPolarHBondContact CD-CE1 3.05Å; P32-T102 HydrophobicContact CG-CG2 4.4Å
33	D	98.1	Very high	87.3	Confident	149 Å²	149	89.6 Å²	89.6	80%	0.797	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-67	144.8	171.1	-65.6	-41.9	0	0	0	110.8
34	L	98.1	Very high	89.7	Confident	33 Å²	33	87.6 Å²	87.6	17%	0.173	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-74.1	143.2	170.6	-58.9	-174	0	0	0	109.7	Y36 Y38 M50 H54 W105	L34-Y36 WeakPolarHBondContact CB-O 2.94Å; L34-Y36 HydrophobicContact CD1-CE2 4.3Å; L34-Y36 PolarHBondContact O-N 3.48Å; L34-Y38 HydrophobicContact CD1-CD1 3.65Å; L34-Y38 HydrophobicContact CD1-CE1 3.5Å; L34-Y38 VanDerWaalsContact CD1-CE1 3.5Å; L34-Y38 HydrophobicContact CG-CE1 4.45Å; L34-M50 HydrophobicContact CD1-CE 4.49Å; L34-H54 HydrophobicContact CD1-CB 4.24Å; L34-W105 HydrophobicContact CD2-CB 3.67Å; L34-W105 HydrophobicContact CD2-CD2 3.68Å; L34-W105 HydrophobicContact CD2-CE3 4.1Å; L34-W105 HydrophobicContact CD2-CG 3.45Å; L34-W105 VanDerWaalsContact CD2-CG 3.45Å
35	T	97	Very high	92.1	Very high	130 Å²	130	83.8 Å²	83.8	80%	0.798	44%	0.444	S	S	*	.	S	Bend	trans	-83.6	5.6	176.2	56	0	0	0	0	113.1
36	Y	98.5	Very high	94.7	Very high	24 Å²	24	79.7 Å²	79.7	9%	0.094	41%	0.413	C	S	.	.	S	Bend	trans	-150.8	155	-177.9	48.7	-100.6	0	0	0	110.2	L34 A40 L41 M50 W105 L108	L34-Y36 WeakPolarHBondContact CB-O 2.94Å; L34-Y36 HydrophobicContact CD1-CE2 4.3Å; L34-Y36 PolarHBondContact O-N 3.48Å; Y36-A40 HydrophobicContact CD2-CB 4.22Å; Y36-A40 HydrophobicContact CG-CB 4.42Å; Y36-L41 HydrophobicContact CD2-CD2 4.39Å; Y36-L41 HydrophobicContact CD2-CG 4.44Å; Y36-L41 HydrophobicContact CE2-CD1 4.04Å; Y36-L41 HydrophobicContact CE2-CD2 4.26Å; Y36-L41 HydrophobicContact CE2-CG 4.13Å; Y36-M50 HydrophobicContact CE2-CE 3.9Å; Y36-W105 PolarHBondContact OH-O 2.83Å; Y36-L108 WeakPolarHBondContact CE1-O 3.47Å
37	D	98.6	Very high	96.7	Very high	137 Å²	137	71.8 Å²	71.8	73%	0.733	39%	0.389	S	S	*	.			trans	-64.7	155.3	179.2	-66.6	-29.3	0	0	0	112	G39 A40	D37-G39 PolarHBondContact O-N 3.24Å; D37-G39 VanDerWaalsContact O-N 3.15Å; D37-A40 HydrophobicContact CB-CB 4.47Å; D37-A40 WeakPolarHBondContact O-CB 3.42Å; D37-A40 PolarHBondContact O-N 2.71Å
38	Y	98.8	Very high	98	Very high	74 Å²	74	68.2 Å²	68.2	29%	0.29	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-34	-179.3	-69.1	-49.9	0	0	0	113.6	L34 A47 M50 Q51 H54	L34-Y38 HydrophobicContact CD1-CD1 3.65Å; L34-Y38 HydrophobicContact CD1-CE1 3.5Å; L34-Y38 VanDerWaalsContact CD1-CE1 3.5Å; L34-Y38 HydrophobicContact CG-CE1 4.45Å; Y38-A47 WeakPolarHBondContact O-CA 3.23Å; Y38-M50 HydrophobicContact CD1-CB 4Å; Y38-M50 VanDerWaalsContact O-CB 3.25Å; Y38-M50 WeakPolarHBondContact O-CB 3.38Å; Y38-M50 WeakPolarHBondContact O-CG 3.49Å; Y38-Q51 HydrophobicContact CD1-CB 4.26Å; Y38-Q51 HydrophobicContact CD2-CB 3.83Å; Y38-Q51 HydrophobicContact CD2-CG 3.94Å; Y38-Q51 HydrophobicContact CE2-CB 4.14Å; Y38-Q51 HydrophobicContact CE2-CG 3.85Å; Y38-Q51 HydrophobicContact CG-CB 3.91Å; Y38-Q51 HydrophobicContact CG-CG 4.5Å; Y38-H54 HydrophobicContact CE1-CB 3.76Å; Y38-H54 AromaticContact CE1-ND1 3.71Å; Y38-H54 AromaticContact CZ-ND1 3.78Å; Y38-H54 PolarHBondContact OH-ND1 3.5Å
39	G	98.6	Very high	98.4	Very high	35 Å²	35	61.4 Å²	61.4	36%	0.361	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	2.5	177.2	0	0	0	0	0	115.3	D37 L41 E42	D37-G39 PolarHBondContact O-N 3.24Å; D37-G39 VanDerWaalsContact O-N 3.15Å; G39-L41 PolarHBondContact O-N 2.53Å; G39-E42 PolarHBondContact O-N 3.28Å
40	A	98.8	Very high	98.5	Very high	32 Å²	32	58.8 Å²	58.8	26%	0.264	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.7	-172.3	0	0	0	0	0	113.9	Y36 D37 P110	Y36-A40 HydrophobicContact CD2-CB 4.22Å; Y36-A40 HydrophobicContact CG-CB 4.42Å; D37-A40 HydrophobicContact CB-CB 4.47Å; D37-A40 WeakPolarHBondContact O-CB 3.42Å; D37-A40 PolarHBondContact O-N 2.71Å; A40-P110 HydrophobicContact CB-CB 4.09Å; A40-P110 HydrophobicContact CB-CG 4.35Å; A40-P110 WeakPolarHBondContact O-CB 3.47Å
41	L	98.8	Very high	98.5	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	6.1	-178	-53.3	-172.3	0	0	0	113.2	Y36 G39 H44 I45 M50 L108 V210	Y36-L41 HydrophobicContact CD2-CD2 4.39Å; Y36-L41 HydrophobicContact CD2-CG 4.44Å; Y36-L41 HydrophobicContact CE2-CD1 4.04Å; Y36-L41 HydrophobicContact CE2-CD2 4.26Å; Y36-L41 HydrophobicContact CE2-CG 4.13Å; G39-L41 PolarHBondContact O-N 2.53Å; L41-H44 WeakPolarHBondContact O-CA 3.4Å; L41-H44 WeakPolarHBondContact O-CB 3.38Å; L41-H44 PolarHBondContact O-N 3.41Å; L41-I45 CarbonylContact C-O 3.41Å; L41-I45 HydrophobicContact CB-CB 4.17Å; L41-I45 HydrophobicContact CD1-CD1 4.2Å; L41-I45 PolarHBondContact O-N 3.42Å; L41-M50 HydrophobicContact CD1-CE 3.65Å; L41-M50 HydrophobicContact CD1-SD 3.89Å; L41-L108 HydrophobicContact CD1-CB 3.84Å; L41-L108 HydrophobicContact CD1-CD1 3.69Å; L41-L108 HydrophobicContact CD1-CG 4.32Å; L41-L108 HydrophobicContact CD2-CB 4.5Å; L41-V210 HydrophobicContact CB-CG1 4.24Å; L41-V210 HydrophobicContact CD2-CB 4.24Å; L41-V210 HydrophobicContact CD2-CG1 4.28Å
42	E	98.4	Very high	98.5	Very high	110 Å²	110	59.1 Å²	59.1	51%	0.514	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	145.1	174.6	-70.8	-154.3	-164.8	0	0	111.9	G39 I45 A47	G39-E42 PolarHBondContact O-N 3.28Å; E42-I45 PolarHBondContact N-O 3.21Å; E42-A47 PolarHBondContact OE1-N 2.88Å
43	P	98.5	Very high	98.6	Very high	89 Å²	89	57.4 Å²	57.4	58%	0.578	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	cis	-88.3	8.4	5.3	36.7	-37.1	0	0	0	114.1	Q195	P43-Q195 PolarHBondContact O-NE2 3.16Å
44	H	98.8	Very high	98.6	Very high	52 Å²	52	50.7 Å²	50.7	24%	0.241	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-31.1	-169.1	-52.4	-59.8	0	0	0	113.7	L41 Y196 A206 N209 V210	L41-H44 WeakPolarHBondContact O-CA 3.4Å; L41-H44 WeakPolarHBondContact O-CB 3.38Å; L41-H44 PolarHBondContact O-N 3.41Å; H44-Y196 PolarHBondContact O-OH 3.15Å; H44-A206 HydrophobicContact CB-CB 4.46Å; H44-N209 WeakPolarHBondContact NE2-CB 3.4Å; H44-V210 HydrophobicContact CB-CG1 3.91Å; H44-V210 HydrophobicContact CB-CG2 4.47Å
45	I	98.8	Very high	98.6	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	28%	0.282	C	S	.	.	S	Bend	trans	-141.1	121.2	168.6	-50.2	177.2	0	0	0	107.3	L41 E42 I49 M50 L108 Y203 I207 V210	L41-I45 CarbonylContact C-O 3.41Å; L41-I45 HydrophobicContact CB-CB 4.17Å; L41-I45 HydrophobicContact CD1-CD1 4.2Å; L41-I45 PolarHBondContact O-N 3.42Å; E42-I45 PolarHBondContact N-O 3.21Å; I45-I49 HydrophobicContact CG2-CB 4.13Å; I45-I49 HydrophobicContact CG2-CG2 3.76Å; I45-M50 HydrophobicContact CB-CG 4.49Å; I45-M50 HydrophobicContact CB-SD 4.26Å; I45-M50 HydrophobicContact CD1-SD 4.49Å; I45-M50 HydrophobicContact CG2-CG 3.9Å; I45-M50 HydrophobicContact CG2-SD 3.61Å; I45-L108 HydrophobicContact CD1-CD1 4.13Å; I45-Y203 HydrophobicContact CD1-CE2 4.32Å; I45-Y203 HydrophobicContact CG1-CE2 4.38Å; I45-I207 HydrophobicContact CD1-CD1 4.1Å; I45-I207 HydrophobicContact CD1-CG1 4.18Å; I45-V210 HydrophobicContact CD1-CG2 4.32Å
46	N	98.4	Very high	98.7	Very high	30 Å²	30	50.7 Å²	50.7	16%	0.16	27%	0.271	C	S	.	.			trans	-71.9	157.3	-174.4	80.2	4.6	0	0	0	113.5	E48 I49 M50	N46-E48 VanDerWaalsContact C-N 3.27Å; N46-E48 PolarHBondContact O-N 3.31Å; N46-E48 PolarHBondContact OD1-N 3.37Å; N46-I49 PolarHBondContact O-N 2.85Å; N46-I49 VanDerWaalsContact OD1-CB 3.25Å; N46-I49 WeakPolarHBondContact OD1-CB 3.27Å; N46-I49 WeakPolarHBondContact OD1-CD1 3.25Å; N46-I49 WeakPolarHBondContact OD1-CG1 3.26Å; N46-I49 PolarHBondContact OD1-N 3.31Å; N46-M50 WeakPolarHBondContact O-CG 3.42Å; N46-M50 PolarHBondContact O-N 3.45Å
47	A	98.7	Very high	98.7	Very high	30 Å²	30	52.7 Å²	52.7	25%	0.248	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-36.5	-177.9	0	0	0	0	0	113.6	Y38 E42 M50 Q51	Y38-A47 WeakPolarHBondContact O-CA 3.23Å; E42-A47 PolarHBondContact OE1-N 2.88Å; A47-M50 PolarHBondContact O-N 2.74Å; A47-Q51 WeakPolarHBondContact O-CB 3.39Å; A47-Q51 PolarHBondContact O-N 2.95Å
48	E	98.8	Very high	98.7	Very high	106 Å²	106	46.2 Å²	46.2	50%	0.495	25%	0.246	S	C	.	.	H	α-helix	trans	-63.6	-45.3	-179	-173	-178.9	-169.9	0	0	111.7	N46 Q51 L52 L194	N46-E48 VanDerWaalsContact C-N 3.27Å; N46-E48 PolarHBondContact O-N 3.31Å; N46-E48 PolarHBondContact OD1-N 3.37Å; E48-Q51 PolarHBondContact O-N 3.14Å; E48-L52 HydrophobicContact CG-CD1 4.06Å; E48-L52 WeakPolarHBondContact O-CB 3.24Å; E48-L52 WeakPolarHBondContact O-CG 3.42Å; E48-L52 PolarHBondContact O-N 3.1Å; E48-L194 HydrophobicContact CG-CD1 3.92Å
49	I	98.9	Very high	98.7	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-58.8	-53.2	173.9	-73.2	165.8	0	0	0	109	I45 N46 Q51 L52 H53 A191 L194 Q195	I45-I49 HydrophobicContact CG2-CB 4.13Å; I45-I49 HydrophobicContact CG2-CG2 3.76Å; N46-I49 PolarHBondContact O-N 2.85Å; N46-I49 VanDerWaalsContact OD1-CB 3.25Å; N46-I49 WeakPolarHBondContact OD1-CB 3.27Å; N46-I49 WeakPolarHBondContact OD1-CD1 3.25Å; N46-I49 WeakPolarHBondContact OD1-CG1 3.26Å; N46-I49 PolarHBondContact OD1-N 3.31Å; I49-Q51 VanDerWaalsContact C-N 3.3Å; I49-Q51 PolarHBondContact O-N 2.9Å; I49-L52 PolarHBondContact O-N 2.76Å; I49-H53 WeakPolarHBondContact O-CB 3.48Å; I49-H53 PolarHBondContact O-N 3.4Å; I49-A191 WeakPolarHBondContact CG2-O 3.5Å; I49-L194 HydrophobicContact CD1-CB 4.23Å; I49-L194 HydrophobicContact CG1-CB 3.92Å; I49-L194 HydrophobicContact CG1-CD1 4.3Å; I49-Q195 HydrophobicContact CD1-CB 3.67Å
50	M	98.9	Very high	98.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.1	-41.8	-176.3	-66.4	-56.5	-64.7	0	0	112.3	L34 Y36 Y38 L41 I45 N46 A47 H54 W105	L34-M50 HydrophobicContact CD1-CE 4.49Å; Y36-M50 HydrophobicContact CE2-CE 3.9Å; Y38-M50 HydrophobicContact CD1-CB 4Å; Y38-M50 VanDerWaalsContact O-CB 3.25Å; Y38-M50 WeakPolarHBondContact O-CB 3.38Å; Y38-M50 WeakPolarHBondContact O-CG 3.49Å; L41-M50 HydrophobicContact CD1-CE 3.65Å; L41-M50 HydrophobicContact CD1-SD 3.89Å; I45-M50 HydrophobicContact CB-CG 4.49Å; I45-M50 HydrophobicContact CB-SD 4.26Å; I45-M50 HydrophobicContact CD1-SD 4.49Å; I45-M50 HydrophobicContact CG2-CG 3.9Å; I45-M50 HydrophobicContact CG2-SD 3.61Å; N46-M50 WeakPolarHBondContact O-CG 3.42Å; N46-M50 PolarHBondContact O-N 3.45Å; A47-M50 PolarHBondContact O-N 2.74Å; M50-H54 VanDerWaalsContact O-CB 3.23Å; M50-H54 WeakPolarHBondContact O-CB 3.38Å; M50-H54 PolarHBondContact O-N 3.35Å; M50-W105 HydrophobicContact CE-CE3 3.84Å; M50-W105 HydrophobicContact CE-CZ3 3.52Å; M50-W105 HydrophobicContact SD-CZ3 4.18Å
51	Q	98.8	Very high	98.8	Very high	103 Å²	103	44.2 Å²	44.2	48%	0.481	23%	0.231	S	C	.	.	H	α-helix	trans	-64.4	-48.6	177.5	-176.1	177.8	9.2	0	0	112	Y38 A47 E48 I49 S55	Y38-Q51 HydrophobicContact CD1-CB 4.26Å; Y38-Q51 HydrophobicContact CD2-CB 3.83Å; Y38-Q51 HydrophobicContact CD2-CG 3.94Å; Y38-Q51 HydrophobicContact CE2-CB 4.14Å; Y38-Q51 HydrophobicContact CE2-CG 3.85Å; Y38-Q51 HydrophobicContact CG-CB 3.91Å; Y38-Q51 HydrophobicContact CG-CG 4.5Å; A47-Q51 WeakPolarHBondContact O-CB 3.39Å; A47-Q51 PolarHBondContact O-N 2.95Å; E48-Q51 PolarHBondContact O-N 3.14Å; I49-Q51 VanDerWaalsContact C-N 3.3Å; I49-Q51 PolarHBondContact O-N 2.9Å; Q51-S55 VanDerWaalsContact O-CB 3.25Å; Q51-S55 WeakPolarHBondContact O-CB 3.47Å; Q51-S55 PolarHBondContact O-N 2.83Å; Q51-S55 PolarHBondContact O-OG 3.13Å
52	L	98.9	Very high	98.8	Very high	64 Å²	64	44.3 Å²	44.3	34%	0.335	23%	0.232	S	C	.	.	H	α-helix	trans	-68	-44.9	-179.5	-70.6	171.9	0	0	0	111.4	E48 I49 H54 K56 H57 L194	E48-L52 HydrophobicContact CG-CD1 4.06Å; E48-L52 WeakPolarHBondContact O-CB 3.24Å; E48-L52 WeakPolarHBondContact O-CG 3.42Å; E48-L52 PolarHBondContact O-N 3.1Å; I49-L52 PolarHBondContact O-N 2.76Å; L52-H54 VanDerWaalsContact C-N 3.34Å; L52-H54 PolarHBondContact O-N 3.24Å; L52-K56 HydrophobicContact CD2-CG 4.01Å; L52-K56 WeakPolarHBondContact O-CA 3.44Å; L52-K56 WeakPolarHBondContact O-CB 3.38Å; L52-K56 PolarHBondContact O-N 3.22Å; L52-H57 PolarHBondContact O-CD2 3.06Å; L52-H57 PolarHBondContact O-N 3.44Å; L52-H57 VanDerWaalsContact O-N 3.1Å; L52-L194 HydrophobicContact CD1-CD1 3.72Å
53	H	98.9	Very high	98.8	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.009	23%	0.233	C	C	.	.	I	π-helix	trans	-62.8	-41.4	-177.4	-163.3	178.1	0	0	0	111.4	I49 H57 H58 H101 F104 W105 D186 H190	I49-H53 WeakPolarHBondContact O-CB 3.48Å; I49-H53 PolarHBondContact O-N 3.4Å; H53-H57 WeakPolarHBondContact O-CB 3.19Å; H53-H58 PolarHBondContact O-N 3.48Å; H53-H101 AromaticContact CD2-CD2 3.48Å; H53-H101 PolarHBondContact CD2-CD2 3.09Å; H53-H101 VanDerWaalsContact CD2-CD2 3.48Å; H53-H101 AromaticContact CD2-NE2 3.36Å; H53-H101 PolarHBondContact CD2-NE2 3.13Å; H53-H101 AromaticContact NE2-CD2 3.16Å; H53-H101 PolarHBondContact NE2-CD2 2.95Å; H53-H101 AromaticContact NE2-NE2 2.91Å; H53-H101 PolarHBondContact NE2-NE2 3.01Å; H53-F104 AromaticContact CE1-CE1 3.67Å; H53-F104 AromaticContact ND1-CE1 3.99Å; H53-W105 HydrophobicContact CB-CH2 3.83Å; H53-W105 AromaticContact CD2-CH2 3.8Å; H53-W105 AromaticContact CE1-CH2 3.99Å; H53-W105 AromaticContact CG-CH2 3.47Å; H53-W105 VanDerWaalsContact CG-CH2 3.47Å; H53-W105 AromaticContact ND1-CH2 3.61Å; H53-D186 IonicContact CE1-OD2 3.55Å; H53-D186 PolarHBondContact CE1-OD2 3.36Å; H53-D186 IonicContact NE2-OD2 3.07Å; H53-D186 PolarHBondContact NE2-OD2 2.91Å; H53-H190 AromaticContact CD2-CD2 3.57Å; H53-H190 AromaticContact CD2-NE2 3.64Å; H53-H190 AromaticContact CE1-CD2 3.92Å; H53-H190 AromaticContact CE1-NE2 3.98Å; H53-H190 AromaticContact NE2-CD2 3.5Å; H53-H190 PolarHBondContact NE2-CD2 3.14Å; H53-H190 AromaticContact NE2-NE2 3.27Å; H53-H190 PolarHBondContact NE2-NE2 3.09Å
54	H	98.9	Very high	98.8	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.037	22%	0.223	C	C	.	.	I	π-helix	trans	-76.4	-61.1	174.7	-179.1	-112	0	0	0	113	L31 P32 L34 Y38 M50 L52 K56 H58 A59 W105	L31-H54 WeakPolarHBondContact CG-NE2 3.21Å; P32-H54 PolarHBondContact O-NE2 2.83Å; L34-H54 HydrophobicContact CD1-CB 4.24Å; Y38-H54 HydrophobicContact CE1-CB 3.76Å; Y38-H54 AromaticContact CE1-ND1 3.71Å; Y38-H54 AromaticContact CZ-ND1 3.78Å; Y38-H54 PolarHBondContact OH-ND1 3.5Å; M50-H54 VanDerWaalsContact O-CB 3.23Å; M50-H54 WeakPolarHBondContact O-CB 3.38Å; M50-H54 PolarHBondContact O-N 3.35Å; L52-H54 VanDerWaalsContact C-N 3.34Å; L52-H54 PolarHBondContact O-N 3.24Å; H54-K56 VanDerWaalsContact C-N 3.34Å; H54-K56 PolarHBondContact O-N 3.27Å; H54-H58 WeakPolarHBondContact O-CB 3.27Å; H54-A59 PolarHBondContact O-N 2.85Å; H54-W105 HydrophobicContact CB-CH2 4.43Å; H54-W105 HydrophobicContact CB-CZ2 4.16Å; H54-W105 AromaticContact CD2-NE1 3.9Å
55	S	98.6	Very high	98.8	Very high	38 Å²	38	40.7 Å²	40.7	27%	0.266	21%	0.213	S	C	.	.	I	π-helix	trans	-78	-16.2	-167.9	74	0	0	0	0	114.6	Q51 A59	Q51-S55 VanDerWaalsContact O-CB 3.25Å; Q51-S55 WeakPolarHBondContact O-CB 3.47Å; Q51-S55 PolarHBondContact O-N 2.83Å; Q51-S55 PolarHBondContact O-OG 3.13Å; S55-A59 VanDerWaalsContact O-CB 3.23Å; S55-A59 WeakPolarHBondContact O-CB 3.45Å
56	K	98.8	Very high	98.8	Very high	126 Å²	126	41.8 Å²	41.8	55%	0.548	22%	0.219	S	C	.	.	I	π-helix	trans	-111.7	-65.5	176.4	-51.5	-61.9	177.6	-175.3	0	110.8	L52 H54 A59 T60	L52-K56 HydrophobicContact CD2-CG 4.01Å; L52-K56 WeakPolarHBondContact O-CA 3.44Å; L52-K56 WeakPolarHBondContact O-CB 3.38Å; L52-K56 PolarHBondContact O-N 3.22Å; H54-K56 VanDerWaalsContact C-N 3.34Å; H54-K56 PolarHBondContact O-N 3.27Å; K56-A59 PolarHBondContact O-N 3.03Å; K56-T60 WeakPolarHBondContact O-CB 3.26Å; K56-T60 PolarHBondContact O-N 3.29Å; K56-T60 PolarHBondContact O-OG1 2.83Å
57	H	98.8	Very high	98.8	Very high	66 Å²	66	44 Å²	44	31%	0.306	23%	0.233	S	C	.	.	I	π-helix	trans	-64.7	-54.2	-171.8	-66.2	-91.5	0	0	0	112.1	L52 H53 A59 T60 Y61 H190	L52-H57 PolarHBondContact O-CD2 3.06Å; L52-H57 PolarHBondContact O-N 3.44Å; L52-H57 VanDerWaalsContact O-N 3.1Å; H53-H57 WeakPolarHBondContact O-CB 3.19Å; H57-A59 PolarHBondContact O-N 3.2Å; H57-T60 PolarHBondContact O-N 2.9Å; H57-Y61 HydrophobicContact CB-CE2 4.43Å; H57-Y61 WeakPolarHBondContact O-CD2 3.49Å; H57-Y61 PolarHBondContact O-N 2.88Å; H57-Y61 VanDerWaalsContact O-N 3.16Å; H57-H190 AromaticContact CE1-CG 3.67Å; H57-H190 AromaticContact CE1-ND1 3.69Å; H57-H190 AromaticContact ND1-CG 3.74Å; H57-H190 AromaticContact ND1-ND1 3.5Å; H57-H190 PolarHBondContact ND1-ND1 3.15Å; H57-H190 AromaticContact NE2-CG 3.99Å
58	H	98.9	Very high	98.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	I	π-helix	trans	-64.4	-41.5	178.3	-168.5	-166.3	0	0	0	112.4	L31 P32 H53 H54 T60 Y61 V62 H98 H101 T102 W105	L31-H58 HydrophobicContact CD1-CB 3.7Å; L31-H58 VanDerWaalsContact CD1-CG 3.45Å; L31-H58 WeakPolarHBondContact CD1-ND1 3.49Å; P32-H58 VanDerWaalsContact CD-CE1 3.43Å; P32-H58 WeakPolarHBondContact CD-CE1 3.05Å; H53-H58 PolarHBondContact O-N 3.48Å; H54-H58 WeakPolarHBondContact O-CB 3.27Å; H58-T60 VanDerWaalsContact C-N 3.28Å; H58-T60 PolarHBondContact O-N 2.82Å; H58-Y61 PolarHBondContact O-N 3.06Å; H58-Y61 VanDerWaalsContact O-N 3.11Å; H58-V62 PolarHBondContact O-N 2.9Å; H58-H98 AromaticContact CD2-ND1 3.86Å; H58-H98 AromaticContact CE1-ND1 3.78Å; H58-H98 AromaticContact NE2-CE1 3.8Å; H58-H98 AromaticContact NE2-CG 3.91Å; H58-H98 AromaticContact NE2-ND1 2.9Å; H58-H98 PolarHBondContact NE2-ND1 2.73Å; H58-H98 PolarHBondContact NE2-O 3.16Å; H58-H101 HydrophobicContact CB-CB 4.17Å; H58-T102 PolarHBondContact CE1-OG1 3.29Å; H58-T102 PolarHBondContact NE2-OG1 2.94Å; H58-W105 HydrophobicContact CB-CZ2 4.38Å; H58-W105 AromaticContact CE1-NE1 3.63Å; H58-W105 AromaticContact CG-NE1 3.88Å; H58-W105 AromaticContact ND1-CD1 3.74Å; H58-W105 AromaticContact ND1-NE1 2.98Å; H58-W105 PolarHBondContact ND1-NE1 3.49Å
59	A	98.8	Very high	98.7	Very high	17 Å²	17	40.5 Å²	40.5	14%	0.14	21%	0.213	C	C	.	.	H	α-helix	trans	-56.9	-41.2	175	0	0	0	0	0	112.5	L31 H54 S55 K56 H57 V62 N63	L31-A59 HydrophobicContact CD1-CB 4.49Å; L31-A59 HydrophobicContact CD2-CB 4Å; H54-A59 PolarHBondContact O-N 2.85Å; S55-A59 VanDerWaalsContact O-CB 3.23Å; S55-A59 WeakPolarHBondContact O-CB 3.45Å; K56-A59 PolarHBondContact O-N 3.03Å; H57-A59 PolarHBondContact O-N 3.2Å; A59-V62 PolarHBondContact O-N 3.43Å; A59-N63 WeakPolarHBondContact O-CB 3.26Å; A59-N63 VanDerWaalsContact O-CG 3.26Å; A59-N63 PolarHBondContact O-N 3.35Å; A59-N63 PolarHBondContact O-ND2 2.9Å
60	T	98.8	Very high	98.7	Very high	69 Å²	69	44.6 Å²	44.6	42%	0.423	23%	0.232	S	C	.	.	H	α-helix	trans	-64.4	-41.8	175.8	-66.9	0	0	0	0	111.9	K56 H57 H58 V62 N63 N64	K56-T60 WeakPolarHBondContact O-CB 3.26Å; K56-T60 PolarHBondContact O-N 3.29Å; K56-T60 PolarHBondContact O-OG1 2.83Å; H57-T60 PolarHBondContact O-N 2.9Å; H58-T60 VanDerWaalsContact C-N 3.28Å; H58-T60 PolarHBondContact O-N 2.82Å; T60-V62 PolarHBondContact O-N 2.95Å; T60-N63 PolarHBondContact O-N 2.99Å; T60-N64 WeakPolarHBondContact CG2-ND2 3.18Å; T60-N64 WeakPolarHBondContact O-CB 3.4Å; T60-N64 VanDerWaalsContact O-CG 3.32Å; T60-N64 PolarHBondContact O-N 3.11Å; T60-N64 PolarHBondContact O-ND2 2.97Å
61	Y	98.8	Very high	98.7	Very high	13 Å²	13	50.1 Å²	50.1	5%	0.051	26%	0.256	C	S	.	.	H	α-helix	trans	-60.1	-46.2	175.3	-62.8	-49.1	0	0	0	111.7	H57 H58 N64 L65 F93 H101 Q170	H57-Y61 HydrophobicContact CB-CE2 4.43Å; H57-Y61 WeakPolarHBondContact O-CD2 3.49Å; H57-Y61 PolarHBondContact O-N 2.88Å; H57-Y61 VanDerWaalsContact O-N 3.16Å; H58-Y61 PolarHBondContact O-N 3.06Å; H58-Y61 VanDerWaalsContact O-N 3.11Å; Y61-N64 PolarHBondContact O-N 3.15Å; Y61-L65 WeakPolarHBondContact O-CB 3.45Å; Y61-L65 PolarHBondContact O-N 3.32Å; Y61-F93 HydrophobicContact CD1-CE1 4.32Å; Y61-F93 HydrophobicContact CE1-CD1 4.22Å; Y61-F93 AromaticContact CE1-CE1 3.62Å; Y61-F93 HydrophobicContact CE1-CE1 3.62Å; Y61-F93 AromaticContact CE1-CZ 3.95Å; Y61-F93 HydrophobicContact CE1-CZ 3.95Å; Y61-H101 AromaticContact CD2-CE1 3.78Å; Y61-H101 AromaticContact CD2-ND1 3.82Å; Y61-H101 AromaticContact CE2-CE1 3.25Å; Y61-H101 WeakPolarHBondContact CE2-CE1 3.43Å; Y61-H101 AromaticContact CE2-ND1 3.78Å; Y61-H101 AromaticContact CE2-NE2 3.82Å; Y61-Q170 HydrophobicContact CE1-CG 4.07Å; Y61-Q170 PolarHBondContact OH-NE2 3.36Å
62	V	98.8	Very high	98.6	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.024	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-48.9	177.8	172.7	0	0	0	0	111.5	H29 L31 H58 A59 T60 N64 L65 N66 H98	H29-V62 HydrophobicContact CB-CG1 4.16Å; H29-V62 VanDerWaalsContact O-CG1 3.31Å; H29-V62 WeakPolarHBondContact O-CG1 3.4Å; L31-V62 HydrophobicContact CD1-CG2 4.44Å; H58-V62 PolarHBondContact O-N 2.9Å; A59-V62 PolarHBondContact O-N 3.43Å; T60-V62 PolarHBondContact O-N 2.95Å; V62-N64 PolarHBondContact O-N 3.42Å; V62-L65 PolarHBondContact O-N 2.88Å; V62-N66 PolarHBondContact O-N 2.93Å; V62-N66 VanDerWaalsContact O-N 3.09Å; V62-N66 PolarHBondContact O-ND2 3.12Å; V62-H98 WeakPolarHBondContact CG2-ND1 3.22Å
63	N	98.6	Very high	98.6	Very high	100 Å²	100	51.4 Å²	51.4	54%	0.535	26%	0.256	S	S	.	.	H	α-helix	trans	-61.3	-47.6	-179.3	-72.8	-26	0	0	0	111.8	A59 T60 N66 V67	A59-N63 WeakPolarHBondContact O-CB 3.26Å; A59-N63 VanDerWaalsContact O-CG 3.26Å; A59-N63 PolarHBondContact O-N 3.35Å; A59-N63 PolarHBondContact O-ND2 2.9Å; T60-N63 PolarHBondContact O-N 2.99Å; N63-N66 PolarHBondContact O-N 3.2Å; N63-V67 WeakPolarHBondContact O-CG2 3.29Å; N63-V67 PolarHBondContact O-N 3.48Å; N63-V67 VanDerWaalsContact O-N 3.15Å
64	N	98.7	Very high	98.5	Very high	69 Å²	69	56.3 Å²	56.3	37%	0.369	28%	0.279	S	S	.	.	H	α-helix	trans	-72	-31.4	-178.3	-71.1	-18.2	0	0	0	112.6	T60 Y61 V62 V67 T68 N94	T60-N64 WeakPolarHBondContact CG2-ND2 3.18Å; T60-N64 WeakPolarHBondContact O-CB 3.4Å; T60-N64 VanDerWaalsContact O-CG 3.32Å; T60-N64 PolarHBondContact O-N 3.11Å; T60-N64 PolarHBondContact O-ND2 2.97Å; Y61-N64 PolarHBondContact O-N 3.15Å; V62-N64 PolarHBondContact O-N 3.42Å; N64-V67 PolarHBondContact O-N 3.29Å; N64-T68 WeakPolarHBondContact O-CB 3.29Å; N64-T68 PolarHBondContact O-N 3.49Å; N64-T68 PolarHBondContact O-OG1 2.95Å; N64-N94 HydrophobicContact CB-CB 4.13Å; N64-N94 WeakPolarHBondContact CB-OD1 3.34Å
65	L	98.6	Very high	98.5	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-61.4	-50.3	172.7	175.5	58	0	0	0	110.4	H29 Y61 V62 V67 T68 E69 L91 N94 H98	H29-L65 HydrophobicContact CB-CD2 4.36Å; H29-L65 VanDerWaalsContact CD2-CD2 3.47Å; H29-L65 WeakPolarHBondContact CD2-CD2 3.41Å; Y61-L65 WeakPolarHBondContact O-CB 3.45Å; Y61-L65 PolarHBondContact O-N 3.32Å; V62-L65 PolarHBondContact O-N 2.88Å; L65-V67 VanDerWaalsContact C-N 3.32Å; L65-V67 PolarHBondContact O-N 3.48Å; L65-T68 PolarHBondContact O-N 3.03Å; L65-T68 VanDerWaalsContact O-N 3.08Å; L65-E69 HydrophobicContact CD1-CG 3.96Å; L65-E69 PolarHBondContact O-N 3.34Å; L65-L91 HydrophobicContact CD1-CD1 3.88Å; L65-N94 HydrophobicContact CB-CB 3.99Å; L65-H98 HydrophobicContact CD2-CB 4.02Å
66	N	98.6	Very high	98.5	Very high	26 Å²	26	59.5 Å²	59.5	14%	0.139	29%	0.293	C	S	.	.	H	α-helix	trans	-56.7	-44.6	177	-76.6	-41.1	0	0	0	112	H29 V62 N63 T68 E70	H29-N66 PolarHBondContact CD2-OD1 3.22Å; H29-N66 PolarHBondContact N-OD1 2.75Å; H29-N66 PolarHBondContact O-ND2 3.41Å; V62-N66 PolarHBondContact O-N 2.93Å; V62-N66 VanDerWaalsContact O-N 3.09Å; V62-N66 PolarHBondContact O-ND2 3.12Å; N63-N66 PolarHBondContact O-N 3.2Å; N66-T68 VanDerWaalsContact C-N 3.34Å; N66-T68 PolarHBondContact O-N 3.43Å; N66-E70 PolarHBondContact O-N 3.48Å
67	V	98.5	Very high	98.5	Very high	75 Å²	75	57.9 Å²	57.9	46%	0.455	30%	0.303	S	S	.	.	H	α-helix	trans	-63.4	-41	176.3	171.5	0	0	0	0	111.7	N63 N64 L65 K71	N63-V67 WeakPolarHBondContact O-CG2 3.29Å; N63-V67 PolarHBondContact O-N 3.48Å; N63-V67 VanDerWaalsContact O-N 3.15Å; N64-V67 PolarHBondContact O-N 3.29Å; L65-V67 VanDerWaalsContact C-N 3.32Å; L65-V67 PolarHBondContact O-N 3.48Å; V67-K71 HydrophobicContact CG1-CD 4.35Å; V67-K71 WeakPolarHBondContact O-CG 3.39Å; V67-K71 PolarHBondContact O-N 3.37Å
68	T	98.6	Very high	98.5	Very high	10 Å²	10	61.8 Å²	61.8	6%	0.061	32%	0.32	C	S	.	.	H	α-helix	trans	-68.8	-42	-178.1	-57.3	0	0	0	0	111.4	N64 L65 N66 K71 Y72 L87 A90 L91	N64-T68 WeakPolarHBondContact O-CB 3.29Å; N64-T68 PolarHBondContact O-N 3.49Å; N64-T68 PolarHBondContact O-OG1 2.95Å; L65-T68 PolarHBondContact O-N 3.03Å; L65-T68 VanDerWaalsContact O-N 3.08Å; N66-T68 VanDerWaalsContact C-N 3.34Å; N66-T68 PolarHBondContact O-N 3.43Å; T68-K71 PolarHBondContact O-N 2.93Å; T68-Y72 WeakPolarHBondContact O-CB 3.48Å; T68-Y72 PolarHBondContact O-N 2.98Å; T68-L87 HydrophobicContact CG2-CB 4.5Å; T68-L87 HydrophobicContact CG2-CD2 4.4Å; T68-A90 HydrophobicContact CG2-CB 3.95Å; T68-L91 HydrophobicContact CG2-CB 4Å; T68-L91 HydrophobicContact CG2-CD1 4.38Å
69	E	98.2	Very high	98.4	Very high	53 Å²	53	64.3 Å²	64.3	25%	0.248	35%	0.346	C	S	.	.	H	α-helix	trans	-64.5	-39.3	178.6	-74.5	-169.7	151.3	0	0	112.5	R26 H29 L65 Y72 K73 L91	R26-E69 IonicContact NH1-OE1 3.21Å; H29-E69 IonicContact CD2-OE2 3.17Å; H29-E69 PolarHBondContact CD2-OE2 2.65Å; H29-E69 VanDerWaalsContact CD2-OE2 3.31Å; H29-E69 IonicContact NE2-OE1 3.46Å; H29-E69 PolarHBondContact NE2-OE1 2.87Å; H29-E69 IonicContact NE2-OE2 3.31Å; H29-E69 PolarHBondContact NE2-OE2 3.2Å; L65-E69 HydrophobicContact CD1-CG 3.96Å; L65-E69 PolarHBondContact O-N 3.34Å; E69-Y72 PolarHBondContact O-N 3.34Å; E69-K73 WeakPolarHBondContact O-CB 3.39Å; E69-K73 PolarHBondContact O-N 2.94Å; E69-L91 HydrophobicContact CG-CD1 3.98Å
70	E	98.1	Very high	98.4	Very high	89 Å²	89	66.8 Å²	66.8	42%	0.416	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-46.2	174.7	-69.9	-57.4	147.7	0	0	111.5	N66 Y72 K73 E74	N66-E70 PolarHBondContact O-N 3.48Å; E70-Y72 VanDerWaalsContact C-N 3.31Å; E70-Y72 PolarHBondContact O-N 2.88Å; E70-K73 WeakPolarHBondContact O-CB 3.49Å; E70-K73 PolarHBondContact O-N 2.63Å; E70-E74 PolarHBondContact O-N 3.47Å
71	K	98.3	Very high	98.4	Very high	116 Å²	116	68 Å²	68	50%	0.504	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-40.9	175	-71.2	178.6	177.7	-179.2	0	112.1	V67 T68 K73 E74 A75 L87	V67-K71 HydrophobicContact CG1-CD 4.35Å; V67-K71 WeakPolarHBondContact O-CG 3.39Å; V67-K71 PolarHBondContact O-N 3.37Å; T68-K71 PolarHBondContact O-N 2.93Å; K71-K73 VanDerWaalsContact C-N 3.35Å; K71-E74 PolarHBondContact O-N 2.82Å; K71-A75 WeakPolarHBondContact O-CB 3.48Å; K71-A75 PolarHBondContact O-N 3.46Å; K71-L87 HydrophobicContact CB-CD1 3.86Å; K71-L87 HydrophobicContact CB-CD2 4.1Å; K71-L87 HydrophobicContact CD-CD2 4.28Å
72	Y	98.3	Very high	98.4	Very high	56 Å²	56	72.9 Å²	72.9	22%	0.22	40%	0.395	C	S	.	.	H	α-helix	trans	-65.2	-41.8	179.3	-161.9	-74.9	0	0	0	110.9	T68 E69 E70 A75 L76 Q84 L87 Q88 L91	T68-Y72 WeakPolarHBondContact O-CB 3.48Å; T68-Y72 PolarHBondContact O-N 2.98Å; E69-Y72 PolarHBondContact O-N 3.34Å; E70-Y72 VanDerWaalsContact C-N 3.31Å; E70-Y72 PolarHBondContact O-N 2.88Å; Y72-A75 PolarHBondContact O-N 3.48Å; Y72-L76 WeakPolarHBondContact O-CB 3.46Å; Y72-L76 PolarHBondContact O-N 3.28Å; Y72-Q84 HydrophobicContact CE1-CG 4.11Å; Y72-Q84 HydrophobicContact CE2-CB 4.12Å; Y72-Q84 HydrophobicContact CE2-CG 4.46Å; Y72-Q84 WeakPolarHBondContact CE2-O 3.18Å; Y72-L87 HydrophobicContact CD2-CB 3.88Å; Y72-L87 HydrophobicContact CD2-CD1 4.34Å; Y72-Q88 HydrophobicContact CE2-CG 4.41Å; Y72-L91 HydrophobicContact CD2-CD2 4.39Å; Y72-L91 HydrophobicContact CE2-CD2 4.46Å
73	K	97.8	Very high	98.4	Very high	137 Å²	137	74 Å²	74	60%	0.596	41%	0.405	S	S	*	.	H	α-helix	trans	-61.6	-43	175.7	179.4	-176.6	173.1	-170.5	0	112	E69 E70 K71 L76 A77	E69-K73 WeakPolarHBondContact O-CB 3.39Å; E69-K73 PolarHBondContact O-N 2.94Å; E70-K73 WeakPolarHBondContact O-CB 3.49Å; E70-K73 PolarHBondContact O-N 2.63Å; K71-K73 VanDerWaalsContact C-N 3.35Å; K73-L76 PolarHBondContact O-N 3.18Å; K73-A77 WeakPolarHBondContact O-CB 3.37Å; K73-A77 PolarHBondContact O-N 3.05Å
74	E	98.1	Very high	98.4	Very high	106 Å²	106	70.6 Å²	70.6	50%	0.495	39%	0.385	S	S	.	.	H	α-helix	trans	-62	-44.8	173.9	-72.7	-176.1	-158.6	0	0	112.2	E70 K71 L76 A77 K78	E70-E74 PolarHBondContact O-N 3.47Å; K71-E74 PolarHBondContact O-N 2.82Å; E74-L76 VanDerWaalsContact C-N 3.32Å; E74-L76 PolarHBondContact O-N 2.93Å; E74-A77 PolarHBondContact O-N 3.06Å; E74-K78 WeakPolarHBondContact O-CB 3.44Å; E74-K78 VanDerWaalsContact O-CG 3.31Å; E74-K78 WeakPolarHBondContact O-CG 3.31Å; E74-K78 PolarHBondContact O-N 3.39Å; E74-K78 IonicContact OE2-NZ 3.7Å; E74-K78 PolarHBondContact OE2-NZ 2.92Å
75	A	98.4	Very high	98.4	Very high	6 Å²	6	71.1 Å²	71.1	5%	0.05	39%	0.391	C	S	.	.	H	α-helix	trans	-61.6	-42	177.7	0	0	0	0	0	111.5	K71 Y72 K78 G79 D80 A83 Q84 L87	K71-A75 WeakPolarHBondContact O-CB 3.48Å; K71-A75 PolarHBondContact O-N 3.46Å; Y72-A75 PolarHBondContact O-N 3.48Å; A75-K78 PolarHBondContact O-N 3.24Å; A75-G79 PolarHBondContact O-N 2.94Å; A75-G79 VanDerWaalsContact O-N 3.14Å; A75-D80 PolarHBondContact O-N 3.17Å; A75-A83 HydrophobicContact CB-CB 3.73Å; A75-Q84 HydrophobicContact CB-CG 3.78Å; A75-L87 HydrophobicContact CB-CD1 4.49Å
76	L	98.2	Very high	98.4	Very high	106 Å²	106	74.4 Å²	74.4	56%	0.555	42%	0.419	S	S	*	.	H	α-helix	trans	-62.2	-46	174.9	-177	63.9	0	0	0	111.8	Y72 K73 E74 K78 G79	Y72-L76 WeakPolarHBondContact O-CB 3.46Å; Y72-L76 PolarHBondContact O-N 3.28Å; K73-L76 PolarHBondContact O-N 3.18Å; E74-L76 VanDerWaalsContact C-N 3.32Å; E74-L76 PolarHBondContact O-N 2.93Å; L76-K78 VanDerWaalsContact C-N 3.25Å; L76-K78 PolarHBondContact O-N 2.85Å; L76-G79 PolarHBondContact O-N 3.22Å; L76-G79 VanDerWaalsContact O-N 3.09Å
77	A	98.4	Very high	98.4	Very high	92 Å²	92	74.7 Å²	74.7	76%	0.76	42%	0.42	S	S	*	.	H	α-helix	trans	-63.7	-30.9	179.2	0	0	0	0	0	113	K73 E74	K73-A77 WeakPolarHBondContact O-CB 3.37Å; K73-A77 PolarHBondContact O-N 3.05Å; E74-A77 PolarHBondContact O-N 3.06Å
78	K	98.3	Very high	98.4	Very high	149 Å²	149	75.8 Å²	75.8	65%	0.648	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-8.7	176.3	-68.2	167.2	-175.4	164.2	0	113.3	E74 A75 L76 D80	E74-K78 WeakPolarHBondContact O-CB 3.44Å; E74-K78 VanDerWaalsContact O-CG 3.31Å; E74-K78 WeakPolarHBondContact O-CG 3.31Å; E74-K78 PolarHBondContact O-N 3.39Å; E74-K78 IonicContact OE2-NZ 3.7Å; E74-K78 PolarHBondContact OE2-NZ 2.92Å; A75-K78 PolarHBondContact O-N 3.24Å; L76-K78 VanDerWaalsContact C-N 3.25Å; L76-K78 PolarHBondContact O-N 2.85Å; K78-D80 HydrophobicContact CB-CB 4.34Å; K78-D80 PolarHBondContact O-N 3.45Å
79	G	98.4	Very high	98.4	Very high	53 Å²	53	79.4 Å²	79.4	55%	0.546	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	20.3	-170.2	0	0	0	0	0	113.5	A75 L76 V81	A75-G79 PolarHBondContact O-N 2.94Å; A75-G79 VanDerWaalsContact O-N 3.14Å; L76-G79 PolarHBondContact O-N 3.22Å; L76-G79 VanDerWaalsContact O-N 3.09Å; G79-V81 PolarHBondContact O-N 3.29Å; G79-V81 VanDerWaalsContact O-N 3.08Å
80	D	98.5	Very high	98.4	Very high	68 Å²	68	78.4 Å²	78.4	36%	0.364	45%	0.445	S	S	.	.			trans	-80.7	89.8	-179.7	-174.3	-13.4	0	0	0	109.7	A75 K78 T82 A83 Q84	A75-D80 PolarHBondContact O-N 3.17Å; K78-D80 HydrophobicContact CB-CB 4.34Å; K78-D80 PolarHBondContact O-N 3.45Å; D80-T82 VanDerWaalsContact C-N 3.28Å; D80-T82 PolarHBondContact O-N 3.38Å; D80-T82 WeakPolarHBondContact OD1-CB 3.41Å; D80-T82 PolarHBondContact OD1-N 2.81Å; D80-T82 VanDerWaalsContact OD1-N 3.15Å; D80-A83 HydrophobicContact CB-CB 4.15Å; D80-A83 VanDerWaalsContact CG-CB 3.45Å; D80-A83 PolarHBondContact OD1-N 2.87Å; D80-A83 WeakPolarHBondContact OD2-CB 3.39Å; D80-Q84 WeakPolarHBondContact O-CG 3.33Å; D80-Q84 PolarHBondContact O-N 3.22Å; D80-Q84 VanDerWaalsContact O-N 3.15Å; D80-Q84 PolarHBondContact O-NE2 3.11Å
81	V	98.6	Very high	98.4	Very high	95 Å²	95	76.8 Å²	76.8	58%	0.576	44%	0.439	S	S	*	.	H	α-helix	trans	-66.2	-33.2	179.9	179.5	0	0	0	0	111.2	G79 Q84 V85	G79-V81 PolarHBondContact O-N 3.29Å; G79-V81 VanDerWaalsContact O-N 3.08Å; V81-Q84 PolarHBondContact O-N 3.3Å; V81-V85 HydrophobicContact CG1-CG2 4.28Å; V81-V85 WeakPolarHBondContact O-CG2 3.32Å; V81-V85 PolarHBondContact O-N 3.2Å
82	T	98.6	Very high	98.4	Very high	115 Å²	115	75.9 Å²	75.9	71%	0.706	44%	0.435	S	S	*	.	H	α-helix	trans	-63	-47.5	178.9	-59.2	0	0	0	0	110.9	D80 V85 A86	D80-T82 VanDerWaalsContact C-N 3.28Å; D80-T82 PolarHBondContact O-N 3.38Å; D80-T82 WeakPolarHBondContact OD1-CB 3.41Å; D80-T82 PolarHBondContact OD1-N 2.81Å; D80-T82 VanDerWaalsContact OD1-N 3.15Å; T82-V85 PolarHBondContact O-N 3.21Å; T82-A86 WeakPolarHBondContact O-CB 3.08Å; T82-A86 PolarHBondContact O-N 3.2Å
83	A	98.5	Very high	98.5	Very high	28 Å²	28	76.7 Å²	76.7	23%	0.231	44%	0.44	C	S	.	.	H	α-helix	trans	-65.4	-39.6	176.3	0	0	0	0	0	112.3	A75 D80 V85 A86 L87	A75-A83 HydrophobicContact CB-CB 3.73Å; D80-A83 HydrophobicContact CB-CB 4.15Å; D80-A83 VanDerWaalsContact CG-CB 3.45Å; D80-A83 PolarHBondContact OD1-N 2.87Å; D80-A83 WeakPolarHBondContact OD2-CB 3.39Å; A83-V85 PolarHBondContact O-N 3.47Å; A83-A86 PolarHBondContact O-N 3.14Å; A83-L87 WeakPolarHBondContact O-CD1 3.43Å; A83-L87 VanDerWaalsContact O-CG 3.24Å; A83-L87 WeakPolarHBondContact O-CG 3.48Å; A83-L87 PolarHBondContact O-N 3.36Å; A83-L87 VanDerWaalsContact O-N 3.09Å
84	Q	98.6	Very high	98.5	Very high	28 Å²	28	70.7 Å²	70.7	13%	0.131	41%	0.414	C	S	.	.	H	α-helix	trans	-57.9	-49.9	175.1	-73.6	171	64.5	0	0	111.5	Y72 A75 D80 V81 A86 L87 Q88	Y72-Q84 HydrophobicContact CE1-CG 4.11Å; Y72-Q84 HydrophobicContact CE2-CB 4.12Å; Y72-Q84 HydrophobicContact CE2-CG 4.46Å; Y72-Q84 WeakPolarHBondContact CE2-O 3.18Å; A75-Q84 HydrophobicContact CB-CG 3.78Å; D80-Q84 WeakPolarHBondContact O-CG 3.33Å; D80-Q84 PolarHBondContact O-N 3.22Å; D80-Q84 VanDerWaalsContact O-N 3.15Å; D80-Q84 PolarHBondContact O-NE2 3.11Å; V81-Q84 PolarHBondContact O-N 3.3Å; Q84-A86 PolarHBondContact O-N 2.74Å; Q84-L87 PolarHBondContact O-N 3.33Å; Q84-Q88 WeakPolarHBondContact O-CG 3.28Å; Q84-Q88 PolarHBondContact O-N 3.17Å
85	V	98.6	Very high	98.6	Very high	80 Å²	80	66.1 Å²	66.1	49%	0.485	40%	0.396	S	S	.	.	H	α-helix	trans	-61.5	-44	178.3	172.1	0	0	0	0	111.1	V81 T82 A83 L87 Q88	V81-V85 HydrophobicContact CG1-CG2 4.28Å; V81-V85 WeakPolarHBondContact O-CG2 3.32Å; V81-V85 PolarHBondContact O-N 3.2Å; T82-V85 PolarHBondContact O-N 3.21Å; A83-V85 PolarHBondContact O-N 3.47Å; V85-L87 PolarHBondContact O-N 3.19Å; V85-Q88 WeakPolarHBondContact O-CB 3.3Å; V85-Q88 PolarHBondContact O-N 3.48Å
86	A	98.6	Very high	98.6	Very high	75 Å²	75	65.9 Å²	65.9	62%	0.62	39%	0.394	S	S	*	.	H	α-helix	trans	-63.2	-26.3	179.5	0	0	0	0	0	113.8	T82 A83 Q84 P89	T82-A86 WeakPolarHBondContact O-CB 3.08Å; T82-A86 PolarHBondContact O-N 3.2Å; A83-A86 PolarHBondContact O-N 3.14Å; Q84-A86 PolarHBondContact O-N 2.74Å; A86-P89 WeakPolarHBondContact O-CD 3.3Å
87	L	98.6	Very high	98.6	Very high	31 Å²	31	60.9 Å²	60.9	16%	0.162	37%	0.368	C	S	.	.	H	α-helix	trans	-85.6	-15.6	179.7	-71.1	165.9	0	0	0	113.7	T68 K71 Y72 A75 A83 Q84 V85 A90 L91	T68-L87 HydrophobicContact CG2-CB 4.5Å; T68-L87 HydrophobicContact CG2-CD2 4.4Å; K71-L87 HydrophobicContact CB-CD1 3.86Å; K71-L87 HydrophobicContact CB-CD2 4.1Å; K71-L87 HydrophobicContact CD-CD2 4.28Å; Y72-L87 HydrophobicContact CD2-CB 3.88Å; Y72-L87 HydrophobicContact CD2-CD1 4.34Å; A75-L87 HydrophobicContact CB-CD1 4.49Å; A83-L87 WeakPolarHBondContact O-CD1 3.43Å; A83-L87 VanDerWaalsContact O-CG 3.24Å; A83-L87 WeakPolarHBondContact O-CG 3.48Å; A83-L87 PolarHBondContact O-N 3.36Å; A83-L87 VanDerWaalsContact O-N 3.09Å; Q84-L87 PolarHBondContact O-N 3.33Å; V85-L87 PolarHBondContact O-N 3.19Å; L87-A90 PolarHBondContact O-N 3.32Å; L87-L91 PolarHBondContact O-N 2.9Å
88	Q	98.5	Very high	98.6	Very high	99 Å²	99	57.7 Å²	57.7	46%	0.463	34%	0.337	S	S	.	.	H	α-helix	trans	-56.7	-41.5	-177	-68.6	-178.6	-5.7	0	0	114.1	Y72 Q84 V85 A90 L91 K92	Y72-Q88 HydrophobicContact CE2-CG 4.41Å; Q84-Q88 WeakPolarHBondContact O-CG 3.28Å; Q84-Q88 PolarHBondContact O-N 3.17Å; V85-Q88 WeakPolarHBondContact O-CB 3.3Å; V85-Q88 PolarHBondContact O-N 3.48Å; Q88-A90 PolarHBondContact O-N 2.91Å; Q88-L91 PolarHBondContact O-N 3.4Å; Q88-K92 WeakPolarHBondContact O-CB 3.37Å; Q88-K92 PolarHBondContact O-N 2.98Å
89	P	98.7	Very high	98.7	Very high	85 Å²	85	54.4 Å²	54.4	55%	0.552	33%	0.326	S	S	*	.	H	α-helix	trans	-61.1	-42.6	177.1	-24.7	35.7	0	0	0	113	A86 K92 F93	A86-P89 WeakPolarHBondContact O-CD 3.3Å; P89-K92 PolarHBondContact O-N 3.45Å; P89-F93 VanDerWaalsContact O-CB 3.29Å; P89-F93 WeakPolarHBondContact O-CB 3.23Å; P89-F93 PolarHBondContact O-N 3.01Å
90	A	98.6	Very high	98.7	Very high	33 Å²	33	52 Å²	52	27%	0.273	30%	0.3	S	S	.	.	H	α-helix	trans	-67.9	-37.3	178	0	0	0	0	0	111.8	T68 L87 Q88 N94	T68-A90 HydrophobicContact CG2-CB 3.95Å; L87-A90 PolarHBondContact O-N 3.32Å; Q88-A90 PolarHBondContact O-N 2.91Å; A90-N94 WeakPolarHBondContact O-CB 3.32Å; A90-N94 PolarHBondContact O-N 2.89Å; A90-N94 PolarHBondContact O-ND2 3.22Å
91	L	98.5	Very high	98.7	Very high	54 Å²	54	48.7 Å²	48.7	28%	0.283	28%	0.283	S	S	.	.	H	α-helix	trans	-65.2	-47	176.6	-175.1	65.8	0	0	0	110.4	L65 T68 E69 Y72 L87 Q88 G95	L65-L91 HydrophobicContact CD1-CD1 3.88Å; T68-L91 HydrophobicContact CG2-CB 4Å; T68-L91 HydrophobicContact CG2-CD1 4.38Å; E69-L91 HydrophobicContact CG-CD1 3.98Å; Y72-L91 HydrophobicContact CD2-CD2 4.39Å; Y72-L91 HydrophobicContact CE2-CD2 4.46Å; L87-L91 PolarHBondContact O-N 2.9Å; Q88-L91 PolarHBondContact O-N 3.4Å; L91-G95 VanDerWaalsContact O-CA 3.28Å; L91-G95 WeakPolarHBondContact O-CA 3.43Å; L91-G95 PolarHBondContact O-N 3.35Å
92	K	98.7	Very high	98.7	Very high	98 Å²	98	46.4 Å²	46.4	43%	0.426	27%	0.269	S	S	.	.	H	α-helix	trans	-61.7	-46.1	177.2	-171.1	173.6	69.4	147.5	0	111.6	Q88 P89 G96 D171	Q88-K92 WeakPolarHBondContact O-CB 3.37Å; Q88-K92 PolarHBondContact O-N 2.98Å; P89-K92 PolarHBondContact O-N 3.45Å; K92-G96 VanDerWaalsContact O-CA 3.31Å; K92-G96 WeakPolarHBondContact O-CA 3.21Å; K92-G96 PolarHBondContact O-N 3.04Å; K92-D171 WeakPolarHBondContact CD-OD1 3.44Å; K92-D171 WeakPolarHBondContact CE-OD1 3.39Å; K92-D171 VanDerWaalsContact NZ-CG 3.27Å; K92-D171 IonicContact NZ-OD1 3.32Å; K92-D171 PolarHBondContact NZ-OD1 2.89Å; K92-D171 IonicContact NZ-OD2 3.28Å; K92-D171 PolarHBondContact NZ-OD2 2.84Å
93	F	98.8	Very high	98.7	Very high	73 Å²	73	41.5 Å²	41.5	32%	0.32	24%	0.239	S	C	.	.	H	α-helix	trans	-68.1	-50.3	-176.6	-174.2	-104.8	0	0	0	113	Y61 P89 G97 Q170 W188	Y61-F93 HydrophobicContact CD1-CE1 4.32Å; Y61-F93 HydrophobicContact CE1-CD1 4.22Å; Y61-F93 AromaticContact CE1-CE1 3.62Å; Y61-F93 HydrophobicContact CE1-CE1 3.62Å; Y61-F93 AromaticContact CE1-CZ 3.95Å; Y61-F93 HydrophobicContact CE1-CZ 3.95Å; P89-F93 VanDerWaalsContact O-CB 3.29Å; P89-F93 WeakPolarHBondContact O-CB 3.23Å; P89-F93 PolarHBondContact O-N 3.01Å; F93-G97 PolarHBondContact O-N 2.9Å; F93-Q170 HydrophobicContact CD2-CB 3.98Å; F93-Q170 HydrophobicContact CD2-CG 3.96Å; F93-Q170 HydrophobicContact CE2-CB 4.24Å; F93-Q170 HydrophobicContact CE2-CG 3.74Å; F93-Q170 HydrophobicContact CZ-CG 4.22Å; F93-Q170 VanDerWaalsContact O-CB 3.25Å; F93-Q170 WeakPolarHBondContact O-CB 3.4Å; F93-W188 AromaticContact CE2-CH2 3.65Å; F93-W188 HydrophobicContact CE2-CH2 3.65Å; F93-W188 AromaticContact CE2-CZ2 3.86Å; F93-W188 HydrophobicContact CE2-CZ2 3.86Å; F93-W188 AromaticContact CZ-CH2 3.82Å; F93-W188 HydrophobicContact CZ-CH2 3.82Å; F93-W188 HydrophobicContact CZ-CZ2 4.33Å
94	N	98.8	Very high	98.8	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.053	23%	0.228	C	C	.	.	H	α-helix	trans	-79.7	-37.8	-176.8	-62.4	-66.7	0	0	0	112.1	N64 L65 A90 G97 H98	N64-N94 HydrophobicContact CB-CB 4.13Å; N64-N94 WeakPolarHBondContact CB-OD1 3.34Å; L65-N94 HydrophobicContact CB-CB 3.99Å; A90-N94 WeakPolarHBondContact O-CB 3.32Å; A90-N94 PolarHBondContact O-N 2.89Å; A90-N94 PolarHBondContact O-ND2 3.22Å; N94-G97 PolarHBondContact O-N 3.43Å; N94-H98 WeakPolarHBondContact O-CB 3.32Å; N94-H98 PolarHBondContact O-N 3.13Å
95	G	98.8	Very high	98.8	Very high	10 Å²	10	39.3 Å²	39.3	10%	0.103	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-47.5	173.8	0	0	0	0	0	111.6	L91 G97 H98 I99	L91-G95 VanDerWaalsContact O-CA 3.28Å; L91-G95 WeakPolarHBondContact O-CA 3.43Å; L91-G95 PolarHBondContact O-N 3.35Å; G95-G97 PolarHBondContact O-N 2.99Å; G95-H98 PolarHBondContact O-N 2.96Å; G95-I99 WeakPolarHBondContact O-CD1 3.21Å; G95-I99 VanDerWaalsContact O-CG1 3.27Å; G95-I99 WeakPolarHBondContact O-CG1 3.34Å; G95-I99 PolarHBondContact O-N 3.06Å
96	G	98.8	Very high	98.8	Very high	2 Å²	2	37.8 Å²	37.8	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-61.1	-43.2	173.9	0	0	0	0	0	112.8	K92 H98 I99 N100 Q170	K92-G96 VanDerWaalsContact O-CA 3.31Å; K92-G96 WeakPolarHBondContact O-CA 3.21Å; K92-G96 PolarHBondContact O-N 3.04Å; G96-H98 PolarHBondContact O-N 3.11Å; G96-I99 PolarHBondContact O-N 3.01Å; G96-N100 VanDerWaalsContact O-CB 3.29Å; G96-N100 WeakPolarHBondContact O-CB 3.22Å; G96-N100 PolarHBondContact O-N 3.46Å; G96-N100 PolarHBondContact O-ND2 3.29Å; G96-N100 PolarHBondContact O-OD1 3.41Å; G96-Q170 CarbonylContact C-O 3.59Å; G96-Q170 VanDerWaalsContact C-O 3.28Å; G96-Q170 WeakPolarHBondContact CA-O 3.28Å
97	G	98.9	Very high	98.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.8	-47.2	175.7	0	0	0	0	0	111.9	F93 N94 G95 H101	F93-G97 PolarHBondContact O-N 2.9Å; N94-G97 PolarHBondContact O-N 3.43Å; G95-G97 PolarHBondContact O-N 2.99Å; G97-H101 WeakPolarHBondContact O-CB 3.46Å; G97-H101 PolarHBondContact O-N 3.06Å; G97-H101 PolarHBondContact O-ND1 3.1Å
98	H	98.9	Very high	98.8	Very high	25 Å²	25	32.9 Å²	32.9	12%	0.116	18%	0.178	C	C	.	.	H	α-helix	trans	-62.3	-46.3	177.1	-179.5	37.9	0	0	0	112.6	H29 T30 H58 V62 L65 N94 G95 G96 T102	H29-H98 AromaticContact ND1-CD2 3.81Å; H29-H98 AromaticContact ND1-NE2 3.89Å; T30-H98 PolarHBondContact O-CE1 3.08Å; H58-H98 AromaticContact CD2-ND1 3.86Å; H58-H98 AromaticContact CE1-ND1 3.78Å; H58-H98 AromaticContact NE2-CE1 3.8Å; H58-H98 AromaticContact NE2-CG 3.91Å; H58-H98 AromaticContact NE2-ND1 2.9Å; H58-H98 PolarHBondContact NE2-ND1 2.73Å; H58-H98 PolarHBondContact NE2-O 3.16Å; V62-H98 WeakPolarHBondContact CG2-ND1 3.22Å; L65-H98 HydrophobicContact CD2-CB 4.02Å; N94-H98 WeakPolarHBondContact O-CB 3.32Å; N94-H98 PolarHBondContact O-N 3.13Å; G95-H98 PolarHBondContact O-N 2.96Å; G96-H98 PolarHBondContact O-N 3.11Å; H98-T102 PolarHBondContact CE1-OG1 2.81Å; H98-T102 PolarHBondContact ND1-OG1 2.79Å; H98-T102 VanDerWaalsContact O-CB 3.25Å; H98-T102 WeakPolarHBondContact O-CB 3.38Å; H98-T102 PolarHBondContact O-N 2.96Å; H98-T102 PolarHBondContact O-OG1 2.8Å
99	I	98.9	Very high	98.8	Very high	81 Å²	81	29.2 Å²	29.2	42%	0.415	16%	0.162	S	C	.	.	H	α-helix	trans	-60	-51.7	178.3	-69.4	163.7	0	0	0	110.5	G95 G96 H101 T102 I103 P172	G95-I99 WeakPolarHBondContact O-CD1 3.21Å; G95-I99 VanDerWaalsContact O-CG1 3.27Å; G95-I99 WeakPolarHBondContact O-CG1 3.34Å; G95-I99 PolarHBondContact O-N 3.06Å; G96-I99 PolarHBondContact O-N 3.01Å; I99-H101 PolarHBondContact O-N 3.34Å; I99-T102 PolarHBondContact O-N 3.31Å; I99-I103 HydrophobicContact CG2-CD1 3.89Å; I99-I103 WeakPolarHBondContact O-CD1 3.33Å; I99-I103 WeakPolarHBondContact O-CG1 3.43Å; I99-I103 PolarHBondContact O-N 2.98Å; I99-I103 VanDerWaalsContact O-N 3.14Å; I99-P172 HydrophobicContact CB-CB 4.41Å; I99-P172 HydrophobicContact CD1-CB 4.27Å; I99-P172 HydrophobicContact CD1-CG 4.46Å; I99-P172 HydrophobicContact CG2-CB 4.2Å
100	N	98.9	Very high	98.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-47.2	-174.9	-64.8	-12	0	0	0	111.3	G96 I103 F104 W150 W152 Q170 P172	G96-N100 VanDerWaalsContact O-CB 3.29Å; G96-N100 WeakPolarHBondContact O-CB 3.22Å; G96-N100 PolarHBondContact O-N 3.46Å; G96-N100 PolarHBondContact O-ND2 3.29Å; G96-N100 PolarHBondContact O-OD1 3.41Å; N100-I103 PolarHBondContact O-N 3.42Å; N100-F104 WeakPolarHBondContact O-CB 3.25Å; N100-F104 PolarHBondContact O-N 3.08Å; N100-W150 HydrophobicContact CB-CD2 4.2Å; N100-W150 HydrophobicContact CB-CE3 4.47Å; N100-W150 HydrophobicContact CB-CH2 3.97Å; N100-W150 HydrophobicContact CB-CZ2 3.65Å; N100-W150 HydrophobicContact CB-CZ3 4.36Å; N100-W152 HydrophobicContact CB-CH2 4.39Å; N100-W152 HydrophobicContact CB-CZ2 3.96Å; N100-W152 WeakPolarHBondContact OD1-CZ2 3.48Å; N100-Q170 PolarHBondContact ND2-O 3.48Å; N100-Q170 PolarHBondContact ND2-OE1 3.41Å; N100-P172 WeakPolarHBondContact OD1-CA 3.25Å
101	H	98.9	Very high	98.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-70.1	-38.4	-178.9	-70.1	76.5	0	0	0	112.2	H53 H58 Y61 G97 I99 I103 F104 W105 W150 Q170 D186	H53-H101 AromaticContact CD2-CD2 3.48Å; H53-H101 PolarHBondContact CD2-CD2 3.09Å; H53-H101 VanDerWaalsContact CD2-CD2 3.48Å; H53-H101 AromaticContact CD2-NE2 3.36Å; H53-H101 PolarHBondContact CD2-NE2 3.13Å; H53-H101 AromaticContact NE2-CD2 3.16Å; H53-H101 PolarHBondContact NE2-CD2 2.95Å; H53-H101 AromaticContact NE2-NE2 2.91Å; H53-H101 PolarHBondContact NE2-NE2 3.01Å; H58-H101 HydrophobicContact CB-CB 4.17Å; Y61-H101 AromaticContact CD2-CE1 3.78Å; Y61-H101 AromaticContact CD2-ND1 3.82Å; Y61-H101 AromaticContact CE2-CE1 3.25Å; Y61-H101 WeakPolarHBondContact CE2-CE1 3.43Å; Y61-H101 AromaticContact CE2-ND1 3.78Å; Y61-H101 AromaticContact CE2-NE2 3.82Å; G97-H101 WeakPolarHBondContact O-CB 3.46Å; G97-H101 PolarHBondContact O-N 3.06Å; G97-H101 PolarHBondContact O-ND1 3.1Å; I99-H101 PolarHBondContact O-N 3.34Å; H101-I103 PolarHBondContact O-N 3.47Å; H101-F104 WeakPolarHBondContact O-CB 3.41Å; H101-F104 PolarHBondContact O-N 3.24Å; H101-F104 VanDerWaalsContact O-N 3.13Å; H101-W105 HydrophobicContact CB-CZ2 4.32Å; H101-W105 AromaticContact CD2-CZ2 3.83Å; H101-W105 VanDerWaalsContact O-CG 3.23Å; H101-W105 PolarHBondContact O-N 3.34Å; H101-W105 PolarHBondContact O-NE1 2.84Å; H101-W150 AromaticContact CE1-CZ2 3.57Å; H101-W150 AromaticContact ND1-CZ2 3.79Å; H101-Q170 PolarHBondContact CE1-NE2 2.86Å; H101-D186 IonicContact NE2-OD2 2.83Å
102	T	98.9	Very high	98.7	Very high	47 Å²	47	32.3 Å²	32.3	29%	0.288	18%	0.179	S	C	.	.	H	α-helix	trans	-57.8	-37.4	174.8	-60.1	0	0	0	0	111.4	P32 H58 H98 I99	P32-T102 HydrophobicContact CG-CG2 4.4Å; H58-T102 PolarHBondContact CE1-OG1 3.29Å; H58-T102 PolarHBondContact NE2-OG1 2.94Å; H98-T102 PolarHBondContact CE1-OG1 2.81Å; H98-T102 PolarHBondContact ND1-OG1 2.79Å; H98-T102 VanDerWaalsContact O-CB 3.25Å; H98-T102 WeakPolarHBondContact O-CB 3.38Å; H98-T102 PolarHBondContact O-N 2.96Å; H98-T102 PolarHBondContact O-OG1 2.8Å; I99-T102 PolarHBondContact O-N 3.31Å
103	I	98.9	Very high	98.7	Very high	12 Å²	12	28.4 Å²	28.4	6%	0.062	17%	0.166	C	C	.	.	H	α-helix	trans	-72	-47.4	173.9	-63.8	161.1	0	0	0	110.9	I99 N100 H101 W105 T106 N107 W152 P181	I99-I103 HydrophobicContact CG2-CD1 3.89Å; I99-I103 WeakPolarHBondContact O-CD1 3.33Å; I99-I103 WeakPolarHBondContact O-CG1 3.43Å; I99-I103 PolarHBondContact O-N 2.98Å; I99-I103 VanDerWaalsContact O-N 3.14Å; N100-I103 PolarHBondContact O-N 3.42Å; H101-I103 PolarHBondContact O-N 3.47Å; I103-W105 VanDerWaalsContact C-N 3.34Å; I103-W105 PolarHBondContact O-N 2.71Å; I103-T106 PolarHBondContact O-N 2.87Å; I103-T106 VanDerWaalsContact O-N 3.08Å; I103-T106 PolarHBondContact O-OG1 3Å; I103-N107 VanDerWaalsContact CG2-OD1 3.31Å; I103-N107 WeakPolarHBondContact CG2-OD1 3.28Å; I103-N107 PolarHBondContact O-N 3.15Å; I103-W152 HydrophobicContact CB-CH2 4.31Å; I103-W152 HydrophobicContact CB-CZ3 4.49Å; I103-W152 HydrophobicContact CD1-CH2 4.2Å; I103-W152 HydrophobicContact CD1-CZ3 4.39Å; I103-W152 HydrophobicContact CG2-CH2 4.19Å; I103-W152 HydrophobicContact CG2-CZ3 3.89Å; I103-P181 HydrophobicContact CD1-CB 3.92Å; I103-P181 HydrophobicContact CD1-CG 3.5Å
104	F	98.9	Very high	98.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-52	-48.2	-178.3	-177.5	-117.9	0	0	0	112.7	H53 N100 H101 T106 N107 L108 W150 D186 I207	H53-F104 AromaticContact CE1-CE1 3.67Å; H53-F104 AromaticContact ND1-CE1 3.99Å; N100-F104 WeakPolarHBondContact O-CB 3.25Å; N100-F104 PolarHBondContact O-N 3.08Å; H101-F104 WeakPolarHBondContact O-CB 3.41Å; H101-F104 PolarHBondContact O-N 3.24Å; H101-F104 VanDerWaalsContact O-N 3.13Å; F104-T106 VanDerWaalsContact C-N 3.32Å; F104-T106 PolarHBondContact O-N 3.47Å; F104-N107 WeakPolarHBondContact O-CB 3.43Å; F104-N107 PolarHBondContact O-N 3.26Å; F104-L108 HydrophobicContact CD1-CD1 4.22Å; F104-L108 HydrophobicContact CD2-CD1 4.38Å; F104-L108 HydrophobicContact CE1-CD1 3.75Å; F104-L108 HydrophobicContact CE2-CD1 3.94Å; F104-L108 HydrophobicContact CE2-CD2 4.46Å; F104-L108 HydrophobicContact CE2-CG 4.44Å; F104-L108 HydrophobicContact CZ-CD1 3.6Å; F104-L108 WeakPolarHBondContact O-CG 3.48Å; F104-L108 PolarHBondContact O-N 2.97Å; F104-W150 HydrophobicContact CB-CH2 3.89Å; F104-W150 HydrophobicContact CB-CZ3 3.83Å; F104-W150 HydrophobicContact CD2-CH2 4.39Å; F104-W150 AromaticContact CD2-CZ3 3.88Å; F104-W150 HydrophobicContact CD2-CZ3 3.88Å; F104-W150 HydrophobicContact CG-CH2 4.06Å; F104-W150 AromaticContact CG-CZ3 3.96Å; F104-W150 HydrophobicContact CG-CZ3 3.96Å; F104-D186 HydrophobicContact CE2-CB 4.25Å; F104-D186 HydrophobicContact CZ-CB 4.29Å; F104-I207 HydrophobicContact CE2-CD1 3.81Å; F104-I207 HydrophobicContact CZ-CD1 4.14Å
105	W	98.9	Very high	98.6	Very high	10 Å²	10	33 Å²	33	4%	0.038	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-42	179.2	-52.5	134.1	0	0	0	112.5	L34 Y36 M50 H53 H54 H58 H101 I103 N107 L108	L34-W105 HydrophobicContact CD2-CB 3.67Å; L34-W105 HydrophobicContact CD2-CD2 3.68Å; L34-W105 HydrophobicContact CD2-CE3 4.1Å; L34-W105 HydrophobicContact CD2-CG 3.45Å; L34-W105 VanDerWaalsContact CD2-CG 3.45Å; Y36-W105 PolarHBondContact OH-O 2.83Å; M50-W105 HydrophobicContact CE-CE3 3.84Å; M50-W105 HydrophobicContact CE-CZ3 3.52Å; M50-W105 HydrophobicContact SD-CZ3 4.18Å; H53-W105 HydrophobicContact CB-CH2 3.83Å; H53-W105 AromaticContact CD2-CH2 3.8Å; H53-W105 AromaticContact CE1-CH2 3.99Å; H53-W105 AromaticContact CG-CH2 3.47Å; H53-W105 VanDerWaalsContact CG-CH2 3.47Å; H53-W105 AromaticContact ND1-CH2 3.61Å; H54-W105 HydrophobicContact CB-CH2 4.43Å; H54-W105 HydrophobicContact CB-CZ2 4.16Å; H54-W105 AromaticContact CD2-NE1 3.9Å; H58-W105 HydrophobicContact CB-CZ2 4.38Å; H58-W105 AromaticContact CE1-NE1 3.63Å; H58-W105 AromaticContact CG-NE1 3.88Å; H58-W105 AromaticContact ND1-CD1 3.74Å; H58-W105 AromaticContact ND1-NE1 2.98Å; H58-W105 PolarHBondContact ND1-NE1 3.49Å; H101-W105 HydrophobicContact CB-CZ2 4.32Å; H101-W105 AromaticContact CD2-CZ2 3.83Å; H101-W105 VanDerWaalsContact O-CG 3.23Å; H101-W105 PolarHBondContact O-N 3.34Å; H101-W105 PolarHBondContact O-NE1 2.84Å; I103-W105 VanDerWaalsContact C-N 3.34Å; I103-W105 PolarHBondContact O-N 2.71Å; W105-N107 VanDerWaalsContact C-N 3.28Å; W105-N107 PolarHBondContact O-N 3Å; W105-L108 PolarHBondContact O-N 3.23Å
106	T	98.8	Very high	98.6	Very high	48 Å²	48	32.8 Å²	32.8	29%	0.294	20%	0.202	S	C	.	.	H	α-helix	trans	-72.3	-23.2	177.8	63.9	0	0	0	0	113.3	I103 F104 L108 N212 N215 R219	I103-T106 PolarHBondContact O-N 2.87Å; I103-T106 VanDerWaalsContact O-N 3.08Å; I103-T106 PolarHBondContact O-OG1 3Å; F104-T106 VanDerWaalsContact C-N 3.32Å; F104-T106 PolarHBondContact O-N 3.47Å; T106-L108 PolarHBondContact O-N 2.87Å; T106-N212 PolarHBondContact O-ND2 2.94Å; T106-N215 WeakPolarHBondContact O-CB 3.2Å; T106-N215 PolarHBondContact O-OD1 3.26Å; T106-N215 PolarHBondContact OG1-OD1 2.89Å; T106-R219 PolarHBondContact OG1-NH2 2.85Å
107	N	98.9	Very high	98.4	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.9	176.1	-72.9	168.8	0	0	0	113.2	I103 F104 W105 L182 L183 G184 I211 N212 N215	I103-N107 VanDerWaalsContact CG2-OD1 3.31Å; I103-N107 WeakPolarHBondContact CG2-OD1 3.28Å; I103-N107 PolarHBondContact O-N 3.15Å; F104-N107 WeakPolarHBondContact O-CB 3.43Å; F104-N107 PolarHBondContact O-N 3.26Å; W105-N107 VanDerWaalsContact C-N 3.28Å; W105-N107 PolarHBondContact O-N 3Å; N107-L182 PolarHBondContact ND2-O 3.15Å; N107-L183 HydrophobicContact CB-CD1 3.95Å; N107-L183 VanDerWaalsContact OD1-CA 3.3Å; N107-L183 WeakPolarHBondContact OD1-CA 3.25Å; N107-G184 PolarHBondContact OD1-N 3Å; N107-I211 WeakPolarHBondContact O-CA 3.46Å; N107-N212 PolarHBondContact O-N 2.99Å; N107-N215 PolarHBondContact ND2-OD1 3.23Å
108	L	98.9	Very high	98.3	Very high	2 Å²	2	43 Å²	43	1%	0.01	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-113.1	150.5	178.5	-55.7	174.5	0	0	0	111.1	Y36 L41 I45 F104 W105 T106 I207 V210 I211	Y36-L108 WeakPolarHBondContact CE1-O 3.47Å; L41-L108 HydrophobicContact CD1-CB 3.84Å; L41-L108 HydrophobicContact CD1-CD1 3.69Å; L41-L108 HydrophobicContact CD1-CG 4.32Å; L41-L108 HydrophobicContact CD2-CB 4.5Å; I45-L108 HydrophobicContact CD1-CD1 4.13Å; F104-L108 HydrophobicContact CD1-CD1 4.22Å; F104-L108 HydrophobicContact CD2-CD1 4.38Å; F104-L108 HydrophobicContact CE1-CD1 3.75Å; F104-L108 HydrophobicContact CE2-CD1 3.94Å; F104-L108 HydrophobicContact CE2-CD2 4.46Å; F104-L108 HydrophobicContact CE2-CG 4.44Å; F104-L108 HydrophobicContact CZ-CD1 3.6Å; F104-L108 WeakPolarHBondContact O-CG 3.48Å; F104-L108 PolarHBondContact O-N 2.97Å; W105-L108 PolarHBondContact O-N 3.23Å; T106-L108 PolarHBondContact O-N 2.87Å; L108-I207 HydrophobicContact CD2-CD1 4.02Å; L108-I207 HydrophobicContact CD2-CG1 3.9Å; L108-V210 CarbonylContact C-O 3.57Å; L108-V210 VanDerWaalsContact CA-O 3.25Å; L108-V210 WeakPolarHBondContact CA-O 3.32Å; L108-V210 HydrophobicContact CD2-CG2 3.94Å; L108-I211 HydrophobicContact CD2-CD1 3.99Å
109	S	98.8	Very high	98.2	Very high	21 Å²	21	45.2 Å²	45.2	15%	0.147	27%	0.273	C	S	.	.			trans	-156.6	141.5	177.4	174.3	0	0	0	0	111	N111 G112 V210	S109-N111 PolarHBondContact O-N 3.18Å; S109-N111 PolarHBondContact OG-N 3.3Å; S109-N111 VanDerWaalsContact OG-N 3.13Å; S109-G112 PolarHBondContact O-N 3.33Å; S109-V210 PolarHBondContact N-O 2.96Å
110	P	98.5	Very high	98.2	Very high	62 Å²	62	41.3 Å²	41.3	40%	0.403	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.1	170.1	25	-34.2	0	0	0	112.9	A40	A40-P110 HydrophobicContact CB-CB 4.09Å; A40-P110 HydrophobicContact CB-CG 4.35Å; A40-P110 WeakPolarHBondContact O-CB 3.47Å
111	N	97.7	Very high	98.2	Very high	152 Å²	152	42.1 Å²	42.1	81%	0.813	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	17	176.4	-54.7	-45.2	0	0	0	111.6	S109	S109-N111 PolarHBondContact O-N 3.18Å; S109-N111 PolarHBondContact OG-N 3.3Å; S109-N111 VanDerWaalsContact OG-N 3.13Å
112	G	97.6	Very high	98.2	Very high	24 Å²	24	47 Å²	47	25%	0.247	28%	0.28	C	S	.	.			trans	-77.7	-164.5	179.6	0	0	0	0	0	113.1	S109 N209 I211	S109-G112 PolarHBondContact O-N 3.33Å; G112-N209 CarbonylContact C-O 3.48Å; G112-I211 CarbonylContact C-O 3.45Å; G112-I211 VanDerWaalsContact CA-O 3.22Å; G112-I211 WeakPolarHBondContact CA-O 3.46Å
113	G	97.8	Very high	98.2	Very high	15 Å²	15	45.2 Å²	45.2	16%	0.155	27%	0.27	C	S	.	.			trans	85.7	-165.5	-178.3	0	0	0	0	0	113.3	W208 N209 I211	G113-W208 WeakPolarHBondContact CA-O 3.19Å; G113-N209 WeakPolarHBondContact CA-O 3.36Å; G113-N209 PolarHBondContact N-O 3.39Å; G113-I211 PolarHBondContact N-O 3.42Å
114	G	97.9	Very high	98.2	Very high	61 Å²	61	44.6 Å²	44.6	63%	0.629	27%	0.267	S	S	*	.	S	Bend	trans	65.6	-145.8	-171.2	0	0	0	0	0	112.5	W213	G114-W213 PolarHBondContact O-NE1 3.43Å
115	E	98.3	Very high	98.2	Very high	120 Å²	120	49 Å²	49	56%	0.561	29%	0.286	S	S	*	.			trans	-121.3	149.5	-177.6	-55.9	-162.8	173.6	0	0	111.1	M121 F131	E115-M121 HydrophobicContact CB-CE 3.76Å; E115-M121 VanDerWaalsContact OE2-CE 3.27Å; E115-M121 WeakPolarHBondContact OE2-CE 3.2Å; E115-F131 HydrophobicContact CB-CD1 4.26Å; E115-F131 HydrophobicContact CB-CE1 4.24Å; E115-F131 HydrophobicContact CG-CD1 3.68Å; E115-F131 HydrophobicContact CG-CE1 3.67Å; E115-F131 HydrophobicContact CG-CZ 4.48Å
116	P	97.8	Very high	98.2	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.032	31%	0.306	C	S	.	.			trans	-65	160.4	171.8	27.5	-31.4	0	0	0	110.7	L120 M121 I124 F131 W213	P116-L120 HydrophobicContact CB-CB 4.28Å; P116-L120 HydrophobicContact CB-CD2 3.57Å; P116-L120 HydrophobicContact CB-CG 3.79Å; P116-L120 HydrophobicContact CG-CD2 4.39Å; P116-L120 HydrophobicContact CG-CG 4.34Å; P116-M121 HydrophobicContact CG-CE 4.02Å; P116-M121 WeakPolarHBondContact O-CB 3.4Å; P116-M121 WeakPolarHBondContact O-CE 3.44Å; P116-I124 HydrophobicContact CB-CD1 4.46Å; P116-I124 HydrophobicContact CG-CD1 3.53Å; P116-F131 VanDerWaalsContact CD-CE2 3.41Å; P116-F131 HydrophobicContact CG-CD2 4.03Å; P116-F131 HydrophobicContact CG-CE2 4.05Å; P116-W213 HydrophobicContact CB-CB 4.2Å; P116-W213 HydrophobicContact CB-CD2 3.83Å; P116-W213 HydrophobicContact CB-CE3 3.72Å; P116-W213 HydrophobicContact CB-CG 4.03Å; P116-W213 HydrophobicContact CB-CZ3 4.41Å; P116-W213 HydrophobicContact CG-CD2 4.08Å; P116-W213 HydrophobicContact CG-CE3 3.95Å; P116-W213 HydrophobicContact CG-CZ3 4.19Å
117	Q	95.2	Very high	98.2	Very high	164 Å²	164	53.8 Å²	53.8	77%	0.766	30%	0.301	S	S	*	.			trans	-124.6	173.6	178.6	-60.7	-174.7	20.3	0	0	111.3	L120	Q117-L120 PolarHBondContact O-N 3.09Å
118	G	97.1	Very high	98.2	Very high	52 Å²	52	55 Å²	55	54%	0.536	31%	0.306	S	S	.	.	H	α-helix	trans	55.6	-137.8	174.1	0	0	0	0	0	112.9	L120 M121 E122	G118-L120 VanDerWaalsContact C-N 3.26Å; G118-L120 PolarHBondContact O-N 2.86Å; G118-M121 PolarHBondContact O-N 2.94Å; G118-M121 VanDerWaalsContact O-N 3.14Å; G118-E122 PolarHBondContact O-N 2.98Å; G118-E122 VanDerWaalsContact O-N 3.14Å
119	E	97.9	Very high	98.2	Very high	71 Å²	71	57.3 Å²	57.3	33%	0.332	33%	0.331	S	S	.	.	H	α-helix	trans	-60.6	-33.8	-171.9	-162.2	-168.4	149.8	0	0	113.8	E122 A123 Q221 K224	E119-E122 PolarHBondContact O-N 3.14Å; E119-A123 WeakPolarHBondContact O-CB 3.31Å; E119-A123 PolarHBondContact O-N 3.46Å; E119-Q221 PolarHBondContact OE2-NE2 3.3Å; E119-K224 VanDerWaalsContact OE1-CD 3.27Å; E119-K224 WeakPolarHBondContact OE1-CD 3.47Å; E119-K224 WeakPolarHBondContact OE1-CE 3.37Å; E119-K224 IonicContact OE1-NZ 2.55Å; E119-K224 PolarHBondContact OE1-NZ 3.46Å; E119-K224 IonicContact OE2-NZ 3.67Å
120	L	98.6	Very high	98.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-43	179	175.5	60.4	0	0	0	110.8	P116 Q117 G118 E122 A123 I124 W213 V216 H217 L220	P116-L120 HydrophobicContact CB-CB 4.28Å; P116-L120 HydrophobicContact CB-CD2 3.57Å; P116-L120 HydrophobicContact CB-CG 3.79Å; P116-L120 HydrophobicContact CG-CD2 4.39Å; P116-L120 HydrophobicContact CG-CG 4.34Å; Q117-L120 PolarHBondContact O-N 3.09Å; G118-L120 VanDerWaalsContact C-N 3.26Å; G118-L120 PolarHBondContact O-N 2.86Å; L120-E122 VanDerWaalsContact C-N 3.35Å; L120-A123 PolarHBondContact O-N 3.34Å; L120-I124 HydrophobicContact CD1-CD1 4.02Å; L120-I124 HydrophobicContact CD1-CG1 4.35Å; L120-I124 HydrophobicContact CG-CD1 3.94Å; L120-I124 WeakPolarHBondContact O-CB 3.25Å; L120-I124 WeakPolarHBondContact O-CD1 3.03Å; L120-I124 VanDerWaalsContact O-CG1 3.26Å; L120-I124 WeakPolarHBondContact O-CG1 3.34Å; L120-I124 PolarHBondContact O-N 2.7Å; L120-W213 HydrophobicContact CD2-CE3 3.94Å; L120-W213 HydrophobicContact CD2-CZ3 4.41Å; L120-V216 HydrophobicContact CD1-CG1 4.36Å; L120-V216 HydrophobicContact CD2-CB 4Å; L120-V216 HydrophobicContact CD2-CG1 3.67Å; L120-H217 HydrophobicContact CB-CB 4.3Å; L120-H217 HydrophobicContact CD2-CB 4.09Å; L120-L220 HydrophobicContact CB-CD2 4.18Å; L120-L220 HydrophobicContact CD1-CD2 3.84Å
121	M	98.7	Very high	98.2	Very high	17 Å²	17	55.9 Å²	55.9	8%	0.084	32%	0.321	C	S	.	.	H	α-helix	trans	-63.2	-41.5	175.7	177.1	56.5	80.9	0	0	111.6	E115 P116 G118 I124 K125 F131	E115-M121 HydrophobicContact CB-CE 3.76Å; E115-M121 VanDerWaalsContact OE2-CE 3.27Å; E115-M121 WeakPolarHBondContact OE2-CE 3.2Å; P116-M121 HydrophobicContact CG-CE 4.02Å; P116-M121 WeakPolarHBondContact O-CB 3.4Å; P116-M121 WeakPolarHBondContact O-CE 3.44Å; G118-M121 PolarHBondContact O-N 2.94Å; G118-M121 VanDerWaalsContact O-N 3.14Å; M121-I124 PolarHBondContact O-N 3.34Å; M121-K125 HydrophobicContact CG-CD 4.33Å; M121-K125 WeakPolarHBondContact O-CG 3.33Å; M121-K125 PolarHBondContact O-N 3Å; M121-K125 HydrophobicContact SD-CD 4.44Å; M121-K125 HydrophobicContact SD-CG 4.16Å; M121-F131 HydrophobicContact CE-CB 3.88Å; M121-F131 HydrophobicContact CE-CG 4.17Å; M121-F131 HydrophobicContact SD-CB 4.04Å
122	E	98.7	Very high	98.2	Very high	104 Å²	104	53.3 Å²	53.3	49%	0.486	30%	0.304	S	S	.	.	H	α-helix	trans	-66.2	-40.1	177.6	-64.4	-50.5	124.5	0	0	112.3	G118 E119 L120 I124 K125 R126	G118-E122 PolarHBondContact O-N 2.98Å; G118-E122 VanDerWaalsContact O-N 3.14Å; E119-E122 PolarHBondContact O-N 3.14Å; L120-E122 VanDerWaalsContact C-N 3.35Å; E122-I124 VanDerWaalsContact C-N 3.33Å; E122-I124 PolarHBondContact O-N 3.4Å; E122-K125 PolarHBondContact O-N 2.89Å; E122-K125 IonicContact OE1-NZ 2.79Å; E122-K125 PolarHBondContact OE1-NZ 3.13Å; E122-R126 VanDerWaalsContact O-CB 3.23Å; E122-R126 WeakPolarHBondContact O-CB 3.35Å; E122-R126 PolarHBondContact O-N 3.06Å
123	A	98.7	Very high	98.3	Very high	8 Å²	8	58.2 Å²	58.2	7%	0.066	32%	0.318	C	S	.	.	H	α-helix	trans	-61.9	-41	172.3	0	0	0	0	0	111.9	E119 L120 R126 D127 L162 L220	E119-A123 WeakPolarHBondContact O-CB 3.31Å; E119-A123 PolarHBondContact O-N 3.46Å; L120-A123 PolarHBondContact O-N 3.34Å; A123-R126 PolarHBondContact O-N 3.29Å; A123-D127 WeakPolarHBondContact O-CB 3.13Å; A123-D127 PolarHBondContact O-N 2.85Å; A123-L162 HydrophobicContact CB-CD1 3.85Å; A123-L162 HydrophobicContact CB-CG 4.28Å; A123-L220 HydrophobicContact CB-CD2 4.41Å
124	I	98.9	Very high	98.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.2	-49.1	176.5	-73.8	164.1	0	0	0	111.3	P116 L120 M121 E122 R126 D127 F128 F131 M134 L162	P116-I124 HydrophobicContact CB-CD1 4.46Å; P116-I124 HydrophobicContact CG-CD1 3.53Å; L120-I124 HydrophobicContact CD1-CD1 4.02Å; L120-I124 HydrophobicContact CD1-CG1 4.35Å; L120-I124 HydrophobicContact CG-CD1 3.94Å; L120-I124 WeakPolarHBondContact O-CB 3.25Å; L120-I124 WeakPolarHBondContact O-CD1 3.03Å; L120-I124 VanDerWaalsContact O-CG1 3.26Å; L120-I124 WeakPolarHBondContact O-CG1 3.34Å; L120-I124 PolarHBondContact O-N 2.7Å; M121-I124 PolarHBondContact O-N 3.34Å; E122-I124 VanDerWaalsContact C-N 3.33Å; E122-I124 PolarHBondContact O-N 3.4Å; I124-R126 VanDerWaalsContact C-N 3.29Å; I124-R126 PolarHBondContact O-N 3.02Å; I124-D127 PolarHBondContact O-N 2.84Å; I124-F128 HydrophobicContact CG2-CD2 4.35Å; I124-F128 WeakPolarHBondContact O-CB 3.16Å; I124-F128 PolarHBondContact O-N 3.32Å; I124-F131 HydrophobicContact CD1-CD2 4.36Å; I124-F131 HydrophobicContact CG2-CB 4.32Å; I124-F131 HydrophobicContact CG2-CD2 4.42Å; I124-M134 HydrophobicContact CD1-CE 4.05Å; I124-M134 HydrophobicContact CG2-CB 3.85Å; I124-M134 HydrophobicContact CG2-CG 4.21Å; I124-L162 HydrophobicContact CB-CD1 4.47Å; I124-L162 HydrophobicContact CG1-CD1 3.69Å
125	K	98.8	Very high	98.4	Very high	92 Å²	92	57.3 Å²	57.3	40%	0.4	29%	0.293	S	S	.	.	H	α-helix	trans	-59.3	-42.7	176.8	-72	172.1	-174.1	163.9	0	111.2	M121 E122 D127 G129	M121-K125 HydrophobicContact CG-CD 4.33Å; M121-K125 WeakPolarHBondContact O-CG 3.33Å; M121-K125 PolarHBondContact O-N 3Å; M121-K125 HydrophobicContact SD-CD 4.44Å; M121-K125 HydrophobicContact SD-CG 4.16Å; E122-K125 PolarHBondContact O-N 2.89Å; E122-K125 IonicContact OE1-NZ 2.79Å; E122-K125 PolarHBondContact OE1-NZ 3.13Å; K125-D127 VanDerWaalsContact C-N 3.35Å; K125-D127 PolarHBondContact O-N 3.34Å; K125-G129 CarbonylContact O-C 3.53Å; K125-G129 WeakPolarHBondContact O-CA 3.47Å; K125-G129 PolarHBondContact O-N 3.39Å
126	R	98.8	Very high	98.4	Very high	124 Å²	124	56.6 Å²	56.6	47%	0.468	29%	0.289	S	S	.	.	H	α-helix	trans	-61.4	-40.6	178.7	-174.2	-161.6	62.8	-168.4	-3.8	112.6	E122 A123 I124 G160 R161	E122-R126 VanDerWaalsContact O-CB 3.23Å; E122-R126 WeakPolarHBondContact O-CB 3.35Å; E122-R126 PolarHBondContact O-N 3.06Å; A123-R126 PolarHBondContact O-N 3.29Å; I124-R126 VanDerWaalsContact C-N 3.29Å; I124-R126 PolarHBondContact O-N 3.02Å; R126-G160 PolarHBondContact NH2-O 3.5Å; R126-R161 VanDerWaalsContact CG-NH1 3.32Å
127	D	98.8	Very high	98.4	Very high	34 Å²	34	61.6 Å²	61.6	18%	0.182	31%	0.311	C	S	.	.	H	α-helix	trans	-97.7	-23.3	-169.5	-64	-18.2	0	0	0	113.9	A123 I124 K125 R161 L162	A123-D127 WeakPolarHBondContact O-CB 3.13Å; A123-D127 PolarHBondContact O-N 2.85Å; I124-D127 PolarHBondContact O-N 2.84Å; K125-D127 VanDerWaalsContact C-N 3.35Å; K125-D127 PolarHBondContact O-N 3.34Å; D127-R161 WeakPolarHBondContact OD1-CD 3.23Å; D127-R161 IonicContact OD1-CZ 3.61Å; D127-R161 IonicContact OD1-NE 3.69Å; D127-R161 IonicContact OD1-NH1 2.75Å; D127-R161 PolarHBondContact OD1-NH1 3.04Å; D127-L162 HydrophobicContact CB-CB 4.18Å; D127-L162 WeakPolarHBondContact OD2-CB 3.22Å; D127-L162 PolarHBondContact OD2-N 3.18Å
128	F	98.8	Very high	98.6	Very high	26 Å²	26	53.8 Å²	53.8	11%	0.114	27%	0.274	C	S	.	.	H	α-helix	trans	-124.9	-3.4	-177.8	-55.1	-76.8	0	0	0	113.5	I124 S130 K133 M134 K137 L153 L162 I164	I124-F128 HydrophobicContact CG2-CD2 4.35Å; I124-F128 WeakPolarHBondContact O-CB 3.16Å; I124-F128 PolarHBondContact O-N 3.32Å; F128-S130 PolarHBondContact O-N 3.5Å; F128-S130 VanDerWaalsContact O-N 3.16Å; F128-K133 VanDerWaalsContact O-CB 3.25Å; F128-K133 WeakPolarHBondContact O-CB 3.33Å; F128-K133 WeakPolarHBondContact O-CD 3.33Å; F128-M134 HydrophobicContact CB-CB 3.74Å; F128-M134 HydrophobicContact CB-CG 4.41Å; F128-M134 HydrophobicContact CD1-CB 4.38Å; F128-M134 HydrophobicContact CD1-CG 4.32Å; F128-M134 HydrophobicContact CD2-CB 3.71Å; F128-M134 HydrophobicContact CD2-CG 3.44Å; F128-M134 VanDerWaalsContact CD2-CG 3.44Å; F128-M134 HydrophobicContact CE1-CG 4.5Å; F128-M134 HydrophobicContact CE2-CB 4.41Å; F128-M134 HydrophobicContact CE2-CG 3.65Å; F128-M134 HydrophobicContact CG-CB 3.68Å; F128-M134 HydrophobicContact CG-CG 3.81Å; F128-M134 HydrophobicContact CZ-CG 4.19Å; F128-K137 HydrophobicContact CD1-CD 4.3Å; F128-K137 HydrophobicContact CE1-CD 4.32Å; F128-L153 HydrophobicContact CE2-CD1 3.9Å; F128-L153 HydrophobicContact CZ-CD1 3.89Å; F128-L162 HydrophobicContact CE2-CB 3.58Å; F128-L162 HydrophobicContact CE2-CD1 4.06Å; F128-L162 HydrophobicContact CE2-CG 4.49Å; F128-L162 HydrophobicContact CZ-CB 3.96Å; F128-I164 HydrophobicContact CD1-CD1 4.24Å; F128-I164 HydrophobicContact CE1-CD1 3.6Å; F128-I164 HydrophobicContact CE1-CG1 3.88Å; F128-I164 HydrophobicContact CZ-CD1 3.92Å; F128-I164 HydrophobicContact CZ-CG1 3.85Å
129	G	98.7	Very high	98.7	Very high	51 Å²	51	52.7 Å²	52.7	53%	0.526	26%	0.26	S	S	.	.	S	Bend	trans	83.5	-39	-177.1	0	0	0	0	0	113.8	K125	K125-G129 CarbonylContact O-C 3.53Å; K125-G129 WeakPolarHBondContact O-CA 3.47Å; K125-G129 PolarHBondContact O-N 3.39Å
130	S	98.8	Very high	98.7	Very high	39 Å²	39	52.3 Å²	52.3	27%	0.273	27%	0.269	S	S	.	.	S	Bend	trans	-156.7	163	173.4	69.9	0	0	0	0	111.8	F128 Q132 K133 M134	F128-S130 PolarHBondContact O-N 3.5Å; F128-S130 VanDerWaalsContact O-N 3.16Å; S130-Q132 VanDerWaalsContact C-N 3.3Å; S130-Q132 PolarHBondContact O-N 3.27Å; S130-K133 PolarHBondContact O-N 3.02Å; S130-K133 WeakPolarHBondContact OG-CG 3.11Å; S130-K133 PolarHBondContact OG-N 2.91Å; S130-K133 VanDerWaalsContact OG-N 3.15Å; S130-M134 PolarHBondContact O-N 3.31Å
131	F	98.7	Very high	98.7	Very high	14 Å²	14	54.5 Å²	54.5	6%	0.061	28%	0.282	C	S	.	.	H	α-helix	trans	-58.1	-43.2	172.5	177.5	-113.6	0	0	0	112.2	E115 P116 M121 I124 K133 M134 K135 W208 W213	E115-F131 HydrophobicContact CB-CD1 4.26Å; E115-F131 HydrophobicContact CB-CE1 4.24Å; E115-F131 HydrophobicContact CG-CD1 3.68Å; E115-F131 HydrophobicContact CG-CE1 3.67Å; E115-F131 HydrophobicContact CG-CZ 4.48Å; P116-F131 VanDerWaalsContact CD-CE2 3.41Å; P116-F131 HydrophobicContact CG-CD2 4.03Å; P116-F131 HydrophobicContact CG-CE2 4.05Å; M121-F131 HydrophobicContact CE-CB 3.88Å; M121-F131 HydrophobicContact CE-CG 4.17Å; M121-F131 HydrophobicContact SD-CB 4.04Å; I124-F131 HydrophobicContact CD1-CD2 4.36Å; I124-F131 HydrophobicContact CG2-CB 4.32Å; I124-F131 HydrophobicContact CG2-CD2 4.42Å; F131-K133 PolarHBondContact O-N 3.49Å; F131-M134 HydrophobicContact CD2-CE 3.68Å; F131-M134 HydrophobicContact CE2-CE 3.56Å; F131-M134 WeakPolarHBondContact O-CB 3.29Å; F131-M134 PolarHBondContact O-N 2.92Å; F131-K135 HydrophobicContact CE1-CD 4.43Å; F131-K135 WeakPolarHBondContact O-CB 3.41Å; F131-K135 PolarHBondContact O-N 2.91Å; F131-W208 HydrophobicContact CE2-CZ3 4.42Å; F131-W208 HydrophobicContact CZ-CE3 4.42Å; F131-W208 HydrophobicContact CZ-CZ3 4.35Å; F131-W213 AromaticContact CE2-CH2 3.69Å; F131-W213 HydrophobicContact CE2-CH2 3.69Å; F131-W213 AromaticContact CE2-CZ2 3.47Å; F131-W213 HydrophobicContact CE2-CZ2 3.47Å; F131-W213 VanDerWaalsContact CE2-CZ2 3.47Å; F131-W213 HydrophobicContact CZ-CH2 4.23Å; F131-W213 AromaticContact CZ-CZ2 3.55Å; F131-W213 HydrophobicContact CZ-CZ2 3.55Å
132	Q	98.6	Very high	98.7	Very high	98 Å²	98	53.7 Å²	53.7	46%	0.458	28%	0.278	S	S	.	.	H	α-helix	trans	-60.2	-43.7	177.6	-176.4	56.8	28.7	0	0	112.3	S130 M134 K135 E136	S130-Q132 VanDerWaalsContact C-N 3.3Å; S130-Q132 PolarHBondContact O-N 3.27Å; Q132-M134 PolarHBondContact O-N 2.93Å; Q132-K135 PolarHBondContact O-N 3.19Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.34Å; Q132-E136 PolarHBondContact NE2-OE1 3.2Å; Q132-E136 WeakPolarHBondContact O-CG 3.09Å; Q132-E136 PolarHBondContact O-N 2.94Å
133	K	98.8	Very high	98.7	Very high	128 Å²	128	51 Å²	51	56%	0.557	27%	0.269	S	S	*	.	H	α-helix	trans	-65.3	-37.6	176.4	-75.8	179.3	176.3	-178.5	0	112.6	F128 S130 F131 K137	F128-K133 VanDerWaalsContact O-CB 3.25Å; F128-K133 WeakPolarHBondContact O-CB 3.33Å; F128-K133 WeakPolarHBondContact O-CD 3.33Å; S130-K133 PolarHBondContact O-N 3.02Å; S130-K133 WeakPolarHBondContact OG-CG 3.11Å; S130-K133 PolarHBondContact OG-N 2.91Å; S130-K133 VanDerWaalsContact OG-N 3.15Å; F131-K133 PolarHBondContact O-N 3.49Å; K133-K137 WeakPolarHBondContact O-CB 3.33Å; K133-K137 PolarHBondContact O-N 3.37Å
134	M	98.8	Very high	98.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-48.9	173.4	-175.3	-77.8	-68.8	0	0	110.6	I124 F128 S130 F131 Q132 E136 K137 M138 I164 W208 W213	I124-M134 HydrophobicContact CD1-CE 4.05Å; I124-M134 HydrophobicContact CG2-CB 3.85Å; I124-M134 HydrophobicContact CG2-CG 4.21Å; F128-M134 HydrophobicContact CB-CB 3.74Å; F128-M134 HydrophobicContact CB-CG 4.41Å; F128-M134 HydrophobicContact CD1-CB 4.38Å; F128-M134 HydrophobicContact CD1-CG 4.32Å; F128-M134 HydrophobicContact CD2-CB 3.71Å; F128-M134 HydrophobicContact CD2-CG 3.44Å; F128-M134 VanDerWaalsContact CD2-CG 3.44Å; F128-M134 HydrophobicContact CE1-CG 4.5Å; F128-M134 HydrophobicContact CE2-CB 4.41Å; F128-M134 HydrophobicContact CE2-CG 3.65Å; F128-M134 HydrophobicContact CG-CB 3.68Å; F128-M134 HydrophobicContact CG-CG 3.81Å; F128-M134 HydrophobicContact CZ-CG 4.19Å; S130-M134 PolarHBondContact O-N 3.31Å; F131-M134 HydrophobicContact CD2-CE 3.68Å; F131-M134 HydrophobicContact CE2-CE 3.56Å; F131-M134 WeakPolarHBondContact O-CB 3.29Å; F131-M134 PolarHBondContact O-N 2.92Å; Q132-M134 PolarHBondContact O-N 2.93Å; M134-E136 PolarHBondContact O-N 3.03Å; M134-K137 PolarHBondContact O-N 3.33Å; M134-M138 VanDerWaalsContact O-CB 3.29Å; M134-M138 WeakPolarHBondContact O-CB 3.31Å; M134-M138 PolarHBondContact O-N 2.95Å; M134-M138 HydrophobicContact SD-CB 4.3Å; M134-I164 HydrophobicContact CG-CD1 4.16Å; M134-I164 HydrophobicContact SD-CD1 4.4Å; M134-W208 HydrophobicContact CE-CH2 4.2Å; M134-W208 HydrophobicContact CE-CZ3 4.19Å; M134-W208 HydrophobicContact SD-CH2 4.2Å; M134-W213 HydrophobicContact CE-CH2 4.13Å
135	K	98.7	Very high	98.7	Very high	56 Å²	56	54.9 Å²	54.9	24%	0.243	30%	0.299	C	S	.	.	H	α-helix	trans	-59	-43.8	178.5	-178.8	170.1	176.9	172.5	0	112.3	F131 Q132 M138 A139 W208	F131-K135 HydrophobicContact CE1-CD 4.43Å; F131-K135 WeakPolarHBondContact O-CB 3.41Å; F131-K135 PolarHBondContact O-N 2.91Å; Q132-K135 PolarHBondContact O-N 3.19Å; K135-M138 PolarHBondContact O-N 2.96Å; K135-A139 WeakPolarHBondContact O-CB 3.43Å; K135-A139 PolarHBondContact O-N 3.5Å; K135-W208 HydrophobicContact CB-CH2 4.16Å; K135-W208 HydrophobicContact CB-CZ2 4.25Å; K135-W208 HydrophobicContact CB-CZ3 4.42Å; K135-W208 HydrophobicContact CD-CD2 3.87Å; K135-W208 HydrophobicContact CD-CE3 4.09Å; K135-W208 HydrophobicContact CD-CG 4.13Å; K135-W208 VanDerWaalsContact CE-CD1 3.48Å; K135-W208 HydrophobicContact CG-CD2 3.84Å; K135-W208 HydrophobicContact CG-CE3 4.15Å; K135-W208 HydrophobicContact CG-CG 4.4Å; K135-W208 HydrophobicContact CG-CH2 4.02Å; K135-W208 HydrophobicContact CG-CZ2 3.72Å; K135-W208 HydrophobicContact CG-CZ3 4.21Å
136	E	98.8	Very high	98.6	Very high	106 Å²	106	59.6 Å²	59.6	50%	0.495	32%	0.323	S	S	.	.	H	α-helix	trans	-62.2	-48	175.2	-75.8	165.6	-169.8	0	0	112.1	Q132 M134 M138 A139 A140	Q132-E136 WeakPolarHBondContact CG-OE1 3.34Å; Q132-E136 PolarHBondContact NE2-OE1 3.2Å; Q132-E136 WeakPolarHBondContact O-CG 3.09Å; Q132-E136 PolarHBondContact O-N 2.94Å; M134-E136 PolarHBondContact O-N 3.03Å; E136-M138 VanDerWaalsContact C-N 3.34Å; E136-M138 PolarHBondContact O-N 3.24Å; E136-A139 PolarHBondContact O-N 2.99Å; E136-A140 WeakPolarHBondContact O-CB 3.41Å; E136-A140 PolarHBondContact O-N 3.37Å
137	K	98.8	Very high	98.5	Very high	109 Å²	109	56.3 Å²	56.3	47%	0.474	33%	0.327	S	S	.	.	H	α-helix	trans	-62.5	-43	177.6	-177.3	171.1	178.2	176.7	0	111.5	F128 K133 M134 A140 V141 I164	F128-K137 HydrophobicContact CD1-CD 4.3Å; F128-K137 HydrophobicContact CE1-CD 4.32Å; K133-K137 WeakPolarHBondContact O-CB 3.33Å; K133-K137 PolarHBondContact O-N 3.37Å; M134-K137 PolarHBondContact O-N 3.33Å; K137-A140 PolarHBondContact O-N 3.24Å; K137-V141 WeakPolarHBondContact O-CG2 3.45Å; K137-V141 PolarHBondContact O-N 3.12Å; K137-I164 HydrophobicContact CB-CD1 3.91Å; K137-I164 HydrophobicContact CD-CD1 4.05Å; K137-I164 HydrophobicContact CG-CD1 3.81Å
138	M	98.8	Very high	98.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.8	-45.2	177.7	-174.3	70.8	-179	0	0	110.7	M134 K135 E136 V141 T142 G151 I164 I185 W208	M134-M138 VanDerWaalsContact O-CB 3.29Å; M134-M138 WeakPolarHBondContact O-CB 3.31Å; M134-M138 PolarHBondContact O-N 2.95Å; M134-M138 HydrophobicContact SD-CB 4.3Å; K135-M138 PolarHBondContact O-N 2.96Å; E136-M138 VanDerWaalsContact C-N 3.34Å; E136-M138 PolarHBondContact O-N 3.24Å; M138-V141 PolarHBondContact O-N 3.19Å; M138-T142 WeakPolarHBondContact O-CB 3.48Å; M138-T142 PolarHBondContact O-N 3.22Å; M138-T142 PolarHBondContact O-OG1 3.44Å; M138-G151 VanDerWaalsContact CE-O 3.28Å; M138-G151 WeakPolarHBondContact CE-O 3.27Å; M138-I164 HydrophobicContact CB-CD1 3.97Å; M138-I164 HydrophobicContact SD-CD1 4.47Å; M138-I164 HydrophobicContact SD-CG1 4.16Å; M138-I164 HydrophobicContact SD-CG2 3.92Å; M138-I185 HydrophobicContact CE-CD1 3.84Å; M138-I185 HydrophobicContact CE-CG1 4.03Å; M138-I185 HydrophobicContact CG-CD1 4.25Å; M138-W208 HydrophobicContact CB-CH2 4.12Å; M138-W208 HydrophobicContact CB-CZ2 3.94Å; M138-W208 HydrophobicContact CG-CH2 4.01Å; M138-W208 HydrophobicContact CG-CZ2 3.82Å
139	A	98.6	Very high	98.5	Very high	29 Å²	29	54.9 Å²	54.9	24%	0.24	32%	0.323	C	S	.	.	H	α-helix	trans	-62.2	-45.8	177.2	0	0	0	0	0	111.8	K135 E136 V141 T142 V143 V204	K135-A139 WeakPolarHBondContact O-CB 3.43Å; K135-A139 PolarHBondContact O-N 3.5Å; E136-A139 PolarHBondContact O-N 2.99Å; A139-V141 PolarHBondContact O-N 3.24Å; A139-T142 PolarHBondContact O-N 3.29Å; A139-V143 WeakPolarHBondContact O-CB 3.08Å; A139-V143 VanDerWaalsContact O-CG2 3.28Å; A139-V143 WeakPolarHBondContact O-CG2 3.25Å; A139-V143 PolarHBondContact O-N 2.99Å; A139-V204 HydrophobicContact CB-CG1 4.01Å
140	A	98.8	Very high	98.5	Very high	64 Å²	64	52.5 Å²	52.5	53%	0.529	30%	0.298	S	S	.	.	H	α-helix	trans	-60.1	-47.2	179.1	0	0	0	0	0	112.3	E136 K137 A144	E136-A140 WeakPolarHBondContact O-CB 3.41Å; E136-A140 PolarHBondContact O-N 3.37Å; K137-A140 PolarHBondContact O-N 3.24Å; A140-A144 WeakPolarHBondContact O-CB 3.47Å; A140-A144 PolarHBondContact O-N 3.44Å
141	V	98.6	Very high	98.5	Very high	45 Å²	45	50.6 Å²	50.6	27%	0.273	29%	0.285	S	S	.	.	H	α-helix	trans	-65.1	-45	178.8	168.9	0	0	0	0	111.4	K137 M138 A139 A144 I164 A166	K137-V141 WeakPolarHBondContact O-CG2 3.45Å; K137-V141 PolarHBondContact O-N 3.12Å; M138-V141 PolarHBondContact O-N 3.19Å; A139-V141 PolarHBondContact O-N 3.24Å; V141-A144 PolarHBondContact O-N 3.41Å; V141-I164 HydrophobicContact CB-CG2 3.97Å; V141-I164 HydrophobicContact CG1-CG2 4.04Å; V141-I164 HydrophobicContact CG2-CG2 3.95Å; V141-A166 HydrophobicContact CG1-CB 3.68Å
142	T	98.4	Very high	98.5	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.8	-43.9	-177.7	-55.9	0	0	0	0	112.1	M138 A139 A144 V145 G151 I185 V187 V204	M138-T142 WeakPolarHBondContact O-CB 3.48Å; M138-T142 PolarHBondContact O-N 3.22Å; M138-T142 PolarHBondContact O-OG1 3.44Å; A139-T142 PolarHBondContact O-N 3.29Å; T142-A144 VanDerWaalsContact C-N 3.34Å; T142-A144 PolarHBondContact O-N 2.89Å; T142-V145 WeakPolarHBondContact O-CG2 3.49Å; T142-G151 WeakPolarHBondContact OG1-CA 3.35Å; T142-I185 HydrophobicContact CG2-CB 4.08Å; T142-I185 HydrophobicContact CG2-CG2 3.79Å; T142-V187 HydrophobicContact CG2-CB 4.42Å; T142-V187 HydrophobicContact CG2-CG1 3.3Å; T142-V187 HydrophobicContact CG2-CG2 4.28Å; T142-V204 HydrophobicContact CG2-CG1 4.4Å; T142-V204 HydrophobicContact CG2-CG2 3.91Å
143	V	98.5	Very high	98.6	Very high	49 Å²	49	45.3 Å²	45.3	30%	0.297	26%	0.26	S	S	.	.	H	α-helix	trans	-65.7	-38.9	178.7	167.9	0	0	0	0	111.3	A139 V145 R200 P201 V204	A139-V143 WeakPolarHBondContact O-CB 3.08Å; A139-V143 VanDerWaalsContact O-CG2 3.28Å; A139-V143 WeakPolarHBondContact O-CG2 3.25Å; A139-V143 PolarHBondContact O-N 2.99Å; V143-V145 PolarHBondContact O-N 3.46Å; V143-R200 PolarHBondContact O-NH1 3.5Å; V143-R200 VanDerWaalsContact O-NH1 3.15Å; V143-P201 HydrophobicContact CG1-CG 3.96Å; V143-P201 HydrophobicContact CG2-CB 4.38Å; V143-P201 HydrophobicContact CG2-CG 4.3Å; V143-V204 HydrophobicContact CG2-CB 4.1Å; V143-V204 HydrophobicContact CG2-CG1 4.21Å; V143-V204 HydrophobicContact CG2-CG2 3.96Å
144	A	98.3	Very high	98.6	Very high	72 Å²	72	39.2 Å²	39.2	60%	0.595	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-2.5	-174.9	0	0	0	0	0	115	A140 V141 T142 Q146	A140-A144 WeakPolarHBondContact O-CB 3.47Å; A140-A144 PolarHBondContact O-N 3.44Å; V141-A144 PolarHBondContact O-N 3.41Å; T142-A144 VanDerWaalsContact C-N 3.34Å; T142-A144 PolarHBondContact O-N 2.89Å; A144-Q146 PolarHBondContact O-N 2.92Å; A144-Q146 VanDerWaalsContact O-N 3.11Å
145	V	98.4	Very high	98.6	Very high	16 Å²	16	40.2 Å²	40.2	10%	0.097	24%	0.238	C	C	.	.			trans	-56	117.6	174.7	173.2	0	0	0	0	109.9	T142 V143 G147 A166 V187 R200	T142-V145 WeakPolarHBondContact O-CG2 3.49Å; V143-V145 PolarHBondContact O-N 3.46Å; V145-G147 PolarHBondContact O-N 2.86Å; V145-A166 HydrophobicContact CG2-CB 3.98Å; V145-V187 HydrophobicContact CB-CG2 3.95Å; V145-V187 HydrophobicContact CG1-CG2 4.2Å; V145-V187 HydrophobicContact CG2-CG2 3.96Å; V145-R200 PolarHBondContact O-NH1 3.3Å
146	Q	96.9	Very high	98.5	Very high	192 Å²	192	40 Å²	40	90%	0.897	24%	0.238	S	C	*	.	S	Bend	trans	-82.1	118.3	176	-67.6	-175.7	-24.1	0	0	109.7	A144	A144-Q146 PolarHBondContact O-N 2.92Å; A144-Q146 VanDerWaalsContact O-N 3.11Å
147	G	97.5	Very high	98.4	Very high	54 Å²	54	40.3 Å²	40.3	56%	0.557	24%	0.237	S	C	*	.	S	Bend	trans	78.8	-140.8	-171.5	0	0	0	0	0	112.1	V145 R200	V145-G147 PolarHBondContact O-N 2.86Å; G147-R200 PolarHBondContact O-NH2 2.94Å
148	S	98.7	Very high	98.3	Very high	31 Å²	31	43 Å²	43	22%	0.217	25%	0.252	C	S	.	.	S	Bend	trans	-88	145.3	-179.4	-66.2	0	0	0	0	112.3	N169 W188	S148-N169 PolarHBondContact O-N 3.4Å; S148-W188 VanDerWaalsContact CB-CD2 3.4Å; S148-W188 WeakPolarHBondContact OG-CZ3 3.44Å
149	G	98.7	Very high	98.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-161.6	175.3	0	0	0	0	0	114.1	C167 V187 W188	G149-C167 CarbonylContact C-O 3.48Å; G149-C167 WeakPolarHBondContact CA-O 3.42Å; G149-V187 CarbonylContact O-C 3.28Å; G149-V187 WeakPolarHBondContact O-CG2 3.41Å; G149-V187 PolarHBondContact O-N 3.01Å; G149-W188 PolarHBondContact O-N 3.33Å
150	W	98.9	Very high	98.2	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144.6	-172.4	-66.6	78.3	0	0	0	111.2	N100 H101 F104 W152 A166 C167 N169 I185 D186 W188	N100-W150 HydrophobicContact CB-CD2 4.2Å; N100-W150 HydrophobicContact CB-CE3 4.47Å; N100-W150 HydrophobicContact CB-CH2 3.97Å; N100-W150 HydrophobicContact CB-CZ2 3.65Å; N100-W150 HydrophobicContact CB-CZ3 4.36Å; H101-W150 AromaticContact CE1-CZ2 3.57Å; H101-W150 AromaticContact ND1-CZ2 3.79Å; F104-W150 HydrophobicContact CB-CH2 3.89Å; F104-W150 HydrophobicContact CB-CZ3 3.83Å; F104-W150 HydrophobicContact CD2-CH2 4.39Å; F104-W150 AromaticContact CD2-CZ3 3.88Å; F104-W150 HydrophobicContact CD2-CZ3 3.88Å; F104-W150 HydrophobicContact CG-CH2 4.06Å; F104-W150 AromaticContact CG-CZ3 3.96Å; F104-W150 HydrophobicContact CG-CZ3 3.96Å; W150-W152 HydrophobicContact CB-CZ2 4.44Å; W150-W152 HydrophobicContact CD2-CZ2 4.15Å; W150-W152 HydrophobicContact CE3-CH2 4.44Å; W150-W152 AromaticContact CE3-CZ2 3.87Å; W150-W152 HydrophobicContact CE3-CZ2 3.87Å; W150-W152 HydrophobicContact CG-CZ2 4.4Å; W150-W152 AromaticContact CG-NE1 3.91Å; W150-A166 CarbonylContact O-C 3.5Å; W150-A166 VanDerWaalsContact O-CA 3.25Å; W150-A166 WeakPolarHBondContact O-CA 3.39Å; W150-C167 PolarHBondContact N-O 2.72Å; W150-C167 PolarHBondContact O-N 2.93Å; W150-N169 PolarHBondContact NE1-O 3.36Å; W150-I185 WeakPolarHBondContact CA-O 3.13Å; W150-D186 HydrophobicContact CD2-CB 4.21Å; W150-D186 HydrophobicContact CE3-CB 3.91Å; W150-D186 HydrophobicContact CH2-CB 3.44Å; W150-D186 VanDerWaalsContact CH2-CB 3.44Å; W150-D186 HydrophobicContact CZ2-CB 3.76Å; W150-D186 VanDerWaalsContact CZ2-CG 3.44Å; W150-D186 WeakPolarHBondContact CZ2-OD2 3.33Å; W150-D186 HydrophobicContact CZ3-CB 3.52Å; W150-W188 AromaticContact NE1-CD1 3.81Å; W150-W188 AromaticContact NE1-NE1 3.69Å
151	G	98.9	Very high	98.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	139.3	161.1	0	0	0	0	0	110.7	M138 T142 G184 I185	M138-G151 VanDerWaalsContact CE-O 3.28Å; M138-G151 WeakPolarHBondContact CE-O 3.27Å; T142-G151 WeakPolarHBondContact OG1-CA 3.35Å; G151-G184 CarbonylContact O-C 3.58Å; G151-G184 WeakPolarHBondContact O-CA 3.38Å; G151-I185 PolarHBondContact N-O 2.86Å; G151-I185 PolarHBondContact O-N 3.34Å
152	W	98.9	Very high	98.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.9	-177	-70.8	99.5	0	0	0	113	N100 I103 W150 I164 A165 L173 P181 L183	N100-W152 HydrophobicContact CB-CH2 4.39Å; N100-W152 HydrophobicContact CB-CZ2 3.96Å; N100-W152 WeakPolarHBondContact OD1-CZ2 3.48Å; I103-W152 HydrophobicContact CB-CH2 4.31Å; I103-W152 HydrophobicContact CB-CZ3 4.49Å; I103-W152 HydrophobicContact CD1-CH2 4.2Å; I103-W152 HydrophobicContact CD1-CZ3 4.39Å; I103-W152 HydrophobicContact CG2-CH2 4.19Å; I103-W152 HydrophobicContact CG2-CZ3 3.89Å; W150-W152 HydrophobicContact CB-CZ2 4.44Å; W150-W152 HydrophobicContact CD2-CZ2 4.15Å; W150-W152 HydrophobicContact CE3-CH2 4.44Å; W150-W152 AromaticContact CE3-CZ2 3.87Å; W150-W152 HydrophobicContact CE3-CZ2 3.87Å; W150-W152 HydrophobicContact CG-CZ2 4.4Å; W150-W152 AromaticContact CG-NE1 3.91Å; W152-I164 VanDerWaalsContact O-CA 3.26Å; W152-I164 WeakPolarHBondContact O-CA 3.37Å; W152-A165 PolarHBondContact N-O 3.17Å; W152-A165 PolarHBondContact O-N 3.31Å; W152-L173 HydrophobicContact CB-CD1 3.78Å; W152-L173 HydrophobicContact CB-CD2 3.69Å; W152-L173 HydrophobicContact CB-CG 4.21Å; W152-L173 HydrophobicContact CD2-CB 4Å; W152-L173 HydrophobicContact CD2-CD2 4.13Å; W152-L173 HydrophobicContact CD2-CG 4.5Å; W152-L173 HydrophobicContact CE3-CD2 4.22Å; W152-L173 HydrophobicContact CG-CB 4.01Å; W152-L173 HydrophobicContact CG-CD1 3.91Å; W152-L173 HydrophobicContact CG-CD2 3.92Å; W152-L173 HydrophobicContact CG-CG 4.15Å; W152-P181 HydrophobicContact CE3-CB 3.7Å; W152-P181 HydrophobicContact CH2-CB 4.35Å; W152-P181 HydrophobicContact CZ3-CB 3.53Å; W152-L183 CarbonylContact C-O 3.58Å; W152-L183 WeakPolarHBondContact CA-O 3.49Å
153	L	98.9	Very high	98.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	119.6	152.4	-177.4	70	0	0	0	107.8	F128 L162 R163 I164 L182 L183	F128-L153 HydrophobicContact CE2-CD1 3.9Å; F128-L153 HydrophobicContact CZ-CD1 3.89Å; L153-L162 HydrophobicContact CD1-CB 4.17Å; L153-R163 WeakPolarHBondContact CA-O 3.33Å; L153-I164 HydrophobicContact CD1-CG1 4.04Å; L153-L182 WeakPolarHBondContact O-CB 3.33Å; L153-L182 PolarHBondContact O-N 2.98Å; L153-L183 HydrophobicContact CB-CB 4.07Å; L153-L183 PolarHBondContact N-O 3.48Å; L153-L183 PolarHBondContact O-N 2.92Å
154	G	98.8	Very high	98.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	161.7	178.9	0	0	0	0	0	112.8	L162 R163 I180	G154-L162 CarbonylContact O-C 3.38Å; G154-L162 WeakPolarHBondContact O-CA 3.39Å; G154-R163 PolarHBondContact N-O 3.05Å; G154-R163 PolarHBondContact O-N 2.8Å; G154-I180 CarbonylContact C-O 3.56Å; G154-I180 WeakPolarHBondContact CA-O 3.48Å
155	Y	98.9	Very high	98.3	Very high	22 Å²	22	45 Å²	45	9%	0.086	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.7	172.4	-176	-106.6	0	0	0	110.3	K157 G160 L162 I180 L220 A223 K224	Y155-K157 HydrophobicContact CE1-CB 4.41Å; Y155-G160 VanDerWaalsContact CE2-C 3.44Å; Y155-G160 VanDerWaalsContact OH-CA 3.24Å; Y155-G160 WeakPolarHBondContact OH-CA 3.29Å; Y155-L162 HydrophobicContact CD2-CD2 4.23Å; Y155-I180 HydrophobicContact CD1-CD1 4.42Å; Y155-I180 PolarHBondContact N-O 3.42Å; Y155-I180 PolarHBondContact O-N 3.49Å; Y155-L220 HydrophobicContact CD2-CD1 3.64Å; Y155-L220 HydrophobicContact CE2-CD1 3.96Å; Y155-L220 HydrophobicContact CG-CD1 4.23Å; Y155-A223 HydrophobicContact CD1-CB 3.76Å; Y155-A223 HydrophobicContact CE1-CB 4.39Å; Y155-A223 HydrophobicContact CG-CB 4.2Å; Y155-K224 HydrophobicContact CE1-CG 4.3Å; Y155-K224 HydrophobicContact CE2-CG 4.32Å
156	E	98.5	Very high	98.3	Very high	52 Å²	52	46.6 Å²	46.6	24%	0.243	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	107.3	173.7	-171.9	178.5	-92.1	0	0	108.6	E158 S159 G160 R161 R163 L179	E156-E158 VanDerWaalsContact C-N 3.3Å; E156-E158 PolarHBondContact O-N 3.27Å; E156-S159 PolarHBondContact O-N 3.5Å; E156-S159 WeakPolarHBondContact OE2-CB 3.34Å; E156-S159 PolarHBondContact OE2-OG 2.85Å; E156-G160 WeakPolarHBondContact O-CA 3.46Å; E156-G160 PolarHBondContact O-N 2.8Å; E156-R161 PolarHBondContact N-O 2.95Å; E156-R161 PolarHBondContact O-N 3.11Å; E156-R163 HydrophobicContact CB-CG 3.93Å; E156-R163 IonicContact OE1-NE 2.85Å; E156-R163 PolarHBondContact OE1-NE 3.48Å; E156-R163 IonicContact OE1-NH2 3.96Å; E156-R163 IonicContact OE2-CZ 3.08Å; E156-R163 VanDerWaalsContact OE2-CZ 3.32Å; E156-R163 IonicContact OE2-NE 3.91Å; E156-R163 PolarHBondContact OE2-NE 2.92Å; E156-R163 IonicContact OE2-NH2 2.71Å; E156-R163 PolarHBondContact OE2-NH2 3.18Å; E156-L179 HydrophobicContact CB-CD2 3.6Å; E156-L179 HydrophobicContact CG-CD2 4.03Å
157	K	96.4	Very high	98.4	Very high	111 Å²	111	37.8 Å²	37.8	48%	0.483	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-34.6	-170	-170.3	165.1	-174.6	153.4	0	111.9	Y155 I180 K225	Y155-K157 HydrophobicContact CE1-CB 4.41Å; K157-I180 HydrophobicContact CD-CD1 4.41Å; K157-K225 PolarHBondContact NZ-OXT 3.08Å
158	E	95.7	Very high	98.4	Very high	167 Å²	167	37.9 Å²	37.9	78%	0.78	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-42.3	-177.1	-64.3	72.6	-160.7	0	0	112.2	E156	E156-E158 VanDerWaalsContact C-N 3.3Å; E156-E158 PolarHBondContact O-N 3.27Å
159	S	97.3	Very high	98.4	Very high	53 Å²	53	40.1 Å²	40.1	37%	0.371	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-13.9	179.6	72.1	0	0	0	0	113.4	E156 R161 R163	E156-S159 PolarHBondContact O-N 3.5Å; E156-S159 WeakPolarHBondContact OE2-CB 3.34Å; E156-S159 PolarHBondContact OE2-OG 2.85Å; S159-R161 VanDerWaalsContact C-N 3.3Å; S159-R161 VanDerWaalsContact OG-CB 3.26Å; S159-R161 WeakPolarHBondContact OG-CB 3.42Å; S159-R161 VanDerWaalsContact OG-CG 3.3Å; S159-R161 WeakPolarHBondContact OG-CG 3.2Å; S159-R161 PolarHBondContact OG-N 3.07Å; S159-R163 PolarHBondContact OG-NH2 2.83Å
160	G	98	Very high	98.4	Very high	17 Å²	17	40.1 Å²	40.1	18%	0.175	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	29	-173.3	0	0	0	0	0	113.5	R126 Y155 E156	R126-G160 PolarHBondContact NH2-O 3.5Å; Y155-G160 VanDerWaalsContact CE2-C 3.44Å; Y155-G160 VanDerWaalsContact OH-CA 3.24Å; Y155-G160 WeakPolarHBondContact OH-CA 3.29Å; E156-G160 WeakPolarHBondContact O-CA 3.46Å; E156-G160 PolarHBondContact O-N 2.8Å
161	R	98.6	Very high	98.4	Very high	96 Å²	96	41.6 Å²	41.6	36%	0.362	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	152.8	-171.7	-60.2	-78.8	179.7	157.6	2.7	112.7	R126 D127 E156 S159	R126-R161 VanDerWaalsContact CG-NH1 3.32Å; D127-R161 WeakPolarHBondContact OD1-CD 3.23Å; D127-R161 IonicContact OD1-CZ 3.61Å; D127-R161 IonicContact OD1-NE 3.69Å; D127-R161 IonicContact OD1-NH1 2.75Å; D127-R161 PolarHBondContact OD1-NH1 3.04Å; E156-R161 PolarHBondContact N-O 2.95Å; E156-R161 PolarHBondContact O-N 3.11Å; S159-R161 VanDerWaalsContact C-N 3.3Å; S159-R161 VanDerWaalsContact OG-CB 3.26Å; S159-R161 WeakPolarHBondContact OG-CB 3.42Å; S159-R161 VanDerWaalsContact OG-CG 3.3Å; S159-R161 WeakPolarHBondContact OG-CG 3.2Å; S159-R161 PolarHBondContact OG-N 3.07Å
162	L	98.9	Very high	98.4	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	143.9	168.7	-58	179.4	0	0	0	110.6	A123 I124 D127 F128 L153 G154 Y155 L182 L220	A123-L162 HydrophobicContact CB-CD1 3.85Å; A123-L162 HydrophobicContact CB-CG 4.28Å; I124-L162 HydrophobicContact CB-CD1 4.47Å; I124-L162 HydrophobicContact CG1-CD1 3.69Å; D127-L162 HydrophobicContact CB-CB 4.18Å; D127-L162 WeakPolarHBondContact OD2-CB 3.22Å; D127-L162 PolarHBondContact OD2-N 3.18Å; F128-L162 HydrophobicContact CE2-CB 3.58Å; F128-L162 HydrophobicContact CE2-CD1 4.06Å; F128-L162 HydrophobicContact CE2-CG 4.49Å; F128-L162 HydrophobicContact CZ-CB 3.96Å; L153-L162 HydrophobicContact CD1-CB 4.17Å; G154-L162 CarbonylContact O-C 3.38Å; G154-L162 WeakPolarHBondContact O-CA 3.39Å; Y155-L162 HydrophobicContact CD2-CD2 4.23Å; L162-L182 HydrophobicContact CD2-CD1 3.5Å; L162-L182 VanDerWaalsContact CD2-CD1 3.5Å; L162-L220 HydrophobicContact CD2-CD1 4.29Å
163	R	98.8	Very high	98.4	Very high	84 Å²	84	42.3 Å²	42.3	32%	0.317	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.1	177.3	-63.4	-67.4	178.4	-105.9	1.3	109.3	L153 G154 E156 S159 L179	L153-R163 WeakPolarHBondContact CA-O 3.33Å; G154-R163 PolarHBondContact N-O 3.05Å; G154-R163 PolarHBondContact O-N 2.8Å; E156-R163 HydrophobicContact CB-CG 3.93Å; E156-R163 IonicContact OE1-NE 2.85Å; E156-R163 PolarHBondContact OE1-NE 3.48Å; E156-R163 IonicContact OE1-NH2 3.96Å; E156-R163 IonicContact OE2-CZ 3.08Å; E156-R163 VanDerWaalsContact OE2-CZ 3.32Å; E156-R163 IonicContact OE2-NE 3.91Å; E156-R163 PolarHBondContact OE2-NE 2.92Å; E156-R163 IonicContact OE2-NH2 2.71Å; E156-R163 PolarHBondContact OE2-NH2 3.18Å; S159-R163 PolarHBondContact OG-NH2 2.83Å; R163-L179 HydrophobicContact CB-CD1 3.76Å; R163-L179 HydrophobicContact CB-CD2 4.01Å; R163-L179 HydrophobicContact CG-CD1 4.42Å; R163-L179 HydrophobicContact CG-CD2 3.85Å
164	I	98.9	Very high	98.4	Very high	25 Å²	25	47.4 Å²	47.4	13%	0.128	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132	168.5	-70.9	167.8	0	0	0	107.5	F128 M134 K137 M138 V141 W152 L153	F128-I164 HydrophobicContact CD1-CD1 4.24Å; F128-I164 HydrophobicContact CE1-CD1 3.6Å; F128-I164 HydrophobicContact CE1-CG1 3.88Å; F128-I164 HydrophobicContact CZ-CD1 3.92Å; F128-I164 HydrophobicContact CZ-CG1 3.85Å; M134-I164 HydrophobicContact CG-CD1 4.16Å; M134-I164 HydrophobicContact SD-CD1 4.4Å; K137-I164 HydrophobicContact CB-CD1 3.91Å; K137-I164 HydrophobicContact CD-CD1 4.05Å; K137-I164 HydrophobicContact CG-CD1 3.81Å; M138-I164 HydrophobicContact CB-CD1 3.97Å; M138-I164 HydrophobicContact SD-CD1 4.47Å; M138-I164 HydrophobicContact SD-CG1 4.16Å; M138-I164 HydrophobicContact SD-CG2 3.92Å; V141-I164 HydrophobicContact CB-CG2 3.97Å; V141-I164 HydrophobicContact CG1-CG2 4.04Å; V141-I164 HydrophobicContact CG2-CG2 3.95Å; W152-I164 VanDerWaalsContact O-CA 3.26Å; W152-I164 WeakPolarHBondContact O-CA 3.37Å; L153-I164 HydrophobicContact CD1-CG1 4.04Å
165	A	98.7	Very high	98.3	Very high	22 Å²	22	50.7 Å²	50.7	18%	0.182	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	160.3	177.9	0	0	0	0	0	110.5	W152 L173 L179	W152-A165 PolarHBondContact N-O 3.17Å; W152-A165 PolarHBondContact O-N 3.31Å; A165-L173 HydrophobicContact CB-CD1 3.92Å; A165-L179 HydrophobicContact CB-CD1 4.11Å
166	A	98.7	Very high	98.3	Very high	51 Å²	51	52.8 Å²	52.8	42%	0.421	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	143.4	166.7	0	0	0	0	0	109.4	V141 V145 W150	V141-A166 HydrophobicContact CG1-CB 3.68Å; V145-A166 HydrophobicContact CG2-CB 3.98Å; W150-A166 CarbonylContact O-C 3.5Å; W150-A166 VanDerWaalsContact O-CA 3.25Å; W150-A166 WeakPolarHBondContact O-CA 3.39Å
167	C	98.8	Very high	98.3	Very high	6 Å²	6	53.6 Å²	53.6	4%	0.041	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.6	173.3	-65.4	0	0	0	0	109.2	G149 W150 D171	G149-C167 CarbonylContact C-O 3.48Å; G149-C167 WeakPolarHBondContact CA-O 3.42Å; W150-C167 PolarHBondContact N-O 2.72Å; W150-C167 PolarHBondContact O-N 2.93Å; C167-D171 HydrophobicContact CB-CB 4.43Å; C167-D171 WeakPolarHBondContact CB-O 3.25Å
168	A	98.5	Very high	98.4	Very high	56 Å²	56	50.5 Å²	50.5	46%	0.463	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	147.5	175.2	0	0	0	0	0	110.8	Q170 D171	A168-Q170 PolarHBondContact O-N 2.91Å; A168-D171 WeakPolarHBondContact O-CB 3.25Å; A168-D171 PolarHBondContact O-N 3.45Å; A168-D171 VanDerWaalsContact O-N 3.08Å
169	N	98.6	Very high	98.5	Very high	78 Å²	78	43.4 Å²	43.4	42%	0.417	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	-122.7	179.5	-57.6	-53.7	0	0	0	112	S148 W150 W188	S148-N169 PolarHBondContact O-N 3.4Å; W150-N169 PolarHBondContact NE1-O 3.36Å; N169-W188 HydrophobicContact CB-CZ2 4.03Å; N169-W188 PolarHBondContact O-NE1 3.16Å
170	Q	98.8	Very high	98.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	15.2	177.8	-67.6	-57.9	-7.6	0	0	112.5	Y61 F93 G96 N100 H101 A168 P172 W188	Y61-Q170 HydrophobicContact CE1-CG 4.07Å; Y61-Q170 PolarHBondContact OH-NE2 3.36Å; F93-Q170 HydrophobicContact CD2-CB 3.98Å; F93-Q170 HydrophobicContact CD2-CG 3.96Å; F93-Q170 HydrophobicContact CE2-CB 4.24Å; F93-Q170 HydrophobicContact CE2-CG 3.74Å; F93-Q170 HydrophobicContact CZ-CG 4.22Å; F93-Q170 VanDerWaalsContact O-CB 3.25Å; F93-Q170 WeakPolarHBondContact O-CB 3.4Å; G96-Q170 CarbonylContact C-O 3.59Å; G96-Q170 VanDerWaalsContact C-O 3.28Å; G96-Q170 WeakPolarHBondContact CA-O 3.28Å; N100-Q170 PolarHBondContact ND2-O 3.48Å; N100-Q170 PolarHBondContact ND2-OE1 3.41Å; H101-Q170 PolarHBondContact CE1-NE2 2.86Å; A168-Q170 PolarHBondContact O-N 2.91Å; Q170-P172 WeakPolarHBondContact O-CD 3.42Å; Q170-P172 VanDerWaalsContact O-N 3.08Å; Q170-W188 HydrophobicContact CG-CZ2 3.81Å; Q170-W188 VanDerWaalsContact NE2-CE2 3.33Å
171	D	98.8	Very high	98.7	Very high	32 Å²	32	42.1 Å²	42.1	17%	0.171	26%	0.26	C	S	.	.			trans	-56.4	119.1	-179.5	-78.6	15.8	0	0	0	109.5	K92 C167 A168 T176	K92-D171 WeakPolarHBondContact CD-OD1 3.44Å; K92-D171 WeakPolarHBondContact CE-OD1 3.39Å; K92-D171 VanDerWaalsContact NZ-CG 3.27Å; K92-D171 IonicContact NZ-OD1 3.32Å; K92-D171 PolarHBondContact NZ-OD1 2.89Å; K92-D171 IonicContact NZ-OD2 3.28Å; K92-D171 PolarHBondContact NZ-OD2 2.84Å; C167-D171 HydrophobicContact CB-CB 4.43Å; C167-D171 WeakPolarHBondContact CB-O 3.25Å; A168-D171 WeakPolarHBondContact O-CB 3.25Å; A168-D171 PolarHBondContact O-N 3.45Å; A168-D171 VanDerWaalsContact O-N 3.08Å; D171-T176 HydrophobicContact CB-CG2 3.94Å
172	P	98.6	Very high	98.7	Very high	14 Å²	14	37.6 Å²	37.6	9%	0.091	24%	0.243	C	C	.	.			trans	-76.5	137.7	-175.6	28.5	-31.7	0	0	0	109.9	I99 N100 Q170 Q174 G175 T176	I99-P172 HydrophobicContact CB-CB 4.41Å; I99-P172 HydrophobicContact CD1-CB 4.27Å; I99-P172 HydrophobicContact CD1-CG 4.46Å; I99-P172 HydrophobicContact CG2-CB 4.2Å; N100-P172 WeakPolarHBondContact OD1-CA 3.25Å; Q170-P172 WeakPolarHBondContact O-CD 3.42Å; Q170-P172 VanDerWaalsContact O-N 3.08Å; P172-Q174 PolarHBondContact O-N 2.9Å; P172-G175 PolarHBondContact O-N 2.98Å; P172-T176 PolarHBondContact O-N 3.29Å; P172-T176 VanDerWaalsContact O-N 3.14Å; P172-T176 PolarHBondContact O-OG1 2.92Å
173	L	98.8	Very high	98.7	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-52.4	-56.5	-172.8	-176.8	69.9	0	0	0	112.2	W152 A165 T176 T177 L179 P181	W152-L173 HydrophobicContact CB-CD1 3.78Å; W152-L173 HydrophobicContact CB-CD2 3.69Å; W152-L173 HydrophobicContact CB-CG 4.21Å; W152-L173 HydrophobicContact CD2-CB 4Å; W152-L173 HydrophobicContact CD2-CD2 4.13Å; W152-L173 HydrophobicContact CD2-CG 4.5Å; W152-L173 HydrophobicContact CE3-CD2 4.22Å; W152-L173 HydrophobicContact CG-CB 4.01Å; W152-L173 HydrophobicContact CG-CD1 3.91Å; W152-L173 HydrophobicContact CG-CD2 3.92Å; W152-L173 HydrophobicContact CG-CG 4.15Å; A165-L173 HydrophobicContact CB-CD1 3.92Å; L173-T176 PolarHBondContact O-N 3.34Å; L173-T176 PolarHBondContact O-OG1 3.2Å; L173-T177 HydrophobicContact CD1-CG2 4.19Å; L173-T177 WeakPolarHBondContact O-CB 3.16Å; L173-T177 PolarHBondContact O-N 2.95Å; L173-T177 PolarHBondContact O-OG1 3.47Å; L173-L179 HydrophobicContact CD1-CB 4.27Å; L173-L179 HydrophobicContact CD1-CD1 4.25Å; L173-L179 HydrophobicContact CD2-CB 3.92Å; L173-L179 HydrophobicContact CG-CB 3.92Å; L173-P181 HydrophobicContact CB-CB 4.34Å; L173-P181 HydrophobicContact CD2-CB 3.9Å
174	Q	98.6	Very high	98.7	Very high	106 Å²	106	33.5 Å²	33.5	50%	0.495	23%	0.228	S	C	.	.	H	α-helix	trans	-66.5	-43.3	-175.5	-168.1	176.8	4	0	0	112.3	P172 T176 G178 L179	P172-Q174 PolarHBondContact O-N 2.9Å; Q174-T176 PolarHBondContact O-N 3.04Å; Q174-G178 WeakPolarHBondContact O-CA 3.46Å; Q174-G178 PolarHBondContact O-N 2.95Å; Q174-L179 WeakPolarHBondContact CA-O 3.29Å; Q174-L179 VanDerWaalsContact CB-O 3.3Å; Q174-L179 WeakPolarHBondContact CB-O 3.47Å; Q174-L179 PolarHBondContact N-O 3.15Å
175	G	98.3	Very high	98.7	Very high	69 Å²	69	32.3 Å²	32.3	71%	0.711	22%	0.221	S	C	*	.	H	α-helix	trans	-67.2	-16.9	-177.6	0	0	0	0	0	114.1	P172	P172-G175 PolarHBondContact O-N 2.98Å
176	T	98.3	Very high	98.7	Very high	67 Å²	67	31.3 Å²	31.3	41%	0.411	21%	0.213	S	C	.	.	H	α-helix	trans	-116.7	-23.5	-177.5	58	0	0	0	0	114.4	D171 P172 L173 Q174	D171-T176 HydrophobicContact CB-CG2 3.94Å; P172-T176 PolarHBondContact O-N 3.29Å; P172-T176 VanDerWaalsContact O-N 3.14Å; P172-T176 PolarHBondContact O-OG1 2.92Å; L173-T176 PolarHBondContact O-N 3.34Å; L173-T176 PolarHBondContact O-OG1 3.2Å; Q174-T176 PolarHBondContact O-N 3.04Å
177	T	98.3	Very high	98.7	Very high	68 Å²	68	28.9 Å²	28.9	42%	0.417	19%	0.193	S	C	.	.	H	α-helix	trans	-122	-13.9	-176.9	72.5	0	0	0	0	113.9	L173 L179	L173-T177 HydrophobicContact CD1-CG2 4.19Å; L173-T177 WeakPolarHBondContact O-CB 3.16Å; L173-T177 PolarHBondContact O-N 2.95Å; L173-T177 PolarHBondContact O-OG1 3.47Å; T177-L179 PolarHBondContact O-N 2.92Å; T177-L179 WeakPolarHBondContact OG1-CB 3.48Å; T177-L179 WeakPolarHBondContact OG1-CG 3.46Å; T177-L179 PolarHBondContact OG1-N 2.84Å
178	G	98.4	Very high	98.7	Very high	47 Å²	47	30.2 Å²	30.2	49%	0.485	20%	0.197	S	C	.	.			trans	79.9	-14.2	-170.7	0	0	0	0	0	114.7	Q174	Q174-G178 WeakPolarHBondContact O-CA 3.46Å; Q174-G178 PolarHBondContact O-N 2.95Å
179	L	98.8	Very high	98.7	Very high	17 Å²	17	32.8 Å²	32.8	9%	0.089	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-70.6	131.2	179.8	-58.4	175.3	0	0	0	111.6	E156 R163 A165 L173 Q174 T177 P181	E156-L179 HydrophobicContact CB-CD2 3.6Å; E156-L179 HydrophobicContact CG-CD2 4.03Å; R163-L179 HydrophobicContact CB-CD1 3.76Å; R163-L179 HydrophobicContact CB-CD2 4.01Å; R163-L179 HydrophobicContact CG-CD1 4.42Å; R163-L179 HydrophobicContact CG-CD2 3.85Å; A165-L179 HydrophobicContact CB-CD1 4.11Å; L173-L179 HydrophobicContact CD1-CB 4.27Å; L173-L179 HydrophobicContact CD1-CD1 4.25Å; L173-L179 HydrophobicContact CD2-CB 3.92Å; L173-L179 HydrophobicContact CG-CB 3.92Å; Q174-L179 WeakPolarHBondContact CA-O 3.29Å; Q174-L179 VanDerWaalsContact CB-O 3.3Å; Q174-L179 WeakPolarHBondContact CB-O 3.47Å; Q174-L179 PolarHBondContact N-O 3.15Å; T177-L179 PolarHBondContact O-N 2.92Å; T177-L179 WeakPolarHBondContact OG1-CB 3.48Å; T177-L179 WeakPolarHBondContact OG1-CG 3.46Å; T177-L179 PolarHBondContact OG1-N 2.84Å; L179-P181 WeakPolarHBondContact O-CD 3.18Å
180	I	98.8	Very high	98.7	Very high	33 Å²	33	30.9 Å²	30.9	17%	0.169	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	121.7	176.8	-58.1	173.8	0	0	0	108.8	G154 Y155 K157 L182 A223	G154-I180 CarbonylContact C-O 3.56Å; G154-I180 WeakPolarHBondContact CA-O 3.48Å; Y155-I180 HydrophobicContact CD1-CD1 4.42Å; Y155-I180 PolarHBondContact N-O 3.42Å; Y155-I180 PolarHBondContact O-N 3.49Å; K157-I180 HydrophobicContact CD-CD1 4.41Å; I180-L182 PolarHBondContact O-N 2.92Å; I180-A223 HydrophobicContact CB-CB 4.22Å; I180-A223 HydrophobicContact CD1-CB 3.89Å; I180-A223 HydrophobicContact CG2-CB 3.81Å
181	P	98.9	Very high	98.7	Very high	11 Å²	11	31 Å²	31	7%	0.071	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.6	-174.6	27.4	-35.2	0	0	0	112.3	I103 W152 L173 L179	I103-P181 HydrophobicContact CD1-CB 3.92Å; I103-P181 HydrophobicContact CD1-CG 3.5Å; W152-P181 HydrophobicContact CE3-CB 3.7Å; W152-P181 HydrophobicContact CH2-CB 4.35Å; W152-P181 HydrophobicContact CZ3-CB 3.53Å; L173-P181 HydrophobicContact CB-CB 4.34Å; L173-P181 HydrophobicContact CD2-CB 3.9Å; L179-P181 WeakPolarHBondContact O-CD 3.18Å
182	L	98.9	Very high	98.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-51.8	176.1	-53.5	-176.2	0	0	0	111.7	N107 L153 L162 I180 V216 R219 L220 A223	N107-L182 PolarHBondContact ND2-O 3.15Å; L153-L182 WeakPolarHBondContact O-CB 3.33Å; L153-L182 PolarHBondContact O-N 2.98Å; L162-L182 HydrophobicContact CD2-CD1 3.5Å; L162-L182 VanDerWaalsContact CD2-CD1 3.5Å; I180-L182 PolarHBondContact O-N 2.92Å; L182-V216 HydrophobicContact CB-CG1 4.02Å; L182-R219 HydrophobicContact CD2-CB 3.84Å; L182-R219 VanDerWaalsContact O-CD 3.23Å; L182-R219 WeakPolarHBondContact O-CD 3.04Å; L182-L220 HydrophobicContact CD1-CB 4.31Å; L182-L220 HydrophobicContact CD1-CD1 4.15Å; L182-L220 HydrophobicContact CD2-CB 4.32Å; L182-A223 HydrophobicContact CD2-CB 4.43Å
183	L	98.9	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	124.8	177.9	169.4	63.3	0	0	0	109.7	N107 W152 L153 W208 I211 W213 V216	N107-L183 HydrophobicContact CB-CD1 3.95Å; N107-L183 VanDerWaalsContact OD1-CA 3.3Å; N107-L183 WeakPolarHBondContact OD1-CA 3.25Å; W152-L183 CarbonylContact C-O 3.58Å; W152-L183 WeakPolarHBondContact CA-O 3.49Å; L153-L183 HydrophobicContact CB-CB 4.07Å; L153-L183 PolarHBondContact N-O 3.48Å; L153-L183 PolarHBondContact O-N 2.92Å; L183-W208 HydrophobicContact CD2-CH2 4.45Å; L183-W208 HydrophobicContact CD2-CZ3 4.37Å; L183-I211 HydrophobicContact CD1-CD1 3.8Å; L183-I211 HydrophobicContact CD1-CG1 4.49Å; L183-I211 HydrophobicContact CD1-CG2 4.02Å; L183-I211 HydrophobicContact CD2-CG2 4.26Å; L183-W213 HydrophobicContact CD2-CH2 4.02Å; L183-W213 HydrophobicContact CD2-CZ3 4.26Å; L183-V216 HydrophobicContact CB-CG1 4.26Å; L183-V216 HydrophobicContact CB-CG2 3.98Å; L183-V216 HydrophobicContact CD1-CG2 4.33Å
184	G	98.9	Very high	98.7	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140	173.3	0	0	0	0	0	112.6	N107 G151	N107-G184 PolarHBondContact OD1-N 3Å; G151-G184 CarbonylContact O-C 3.58Å; G151-G184 WeakPolarHBondContact O-CA 3.38Å
185	I	98.9	Very high	98.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.1	172.9	-60	175.3	0	0	0	108.3	M138 T142 W150 G151 V187 Y203 I207 W208	M138-I185 HydrophobicContact CE-CD1 3.84Å; M138-I185 HydrophobicContact CE-CG1 4.03Å; M138-I185 HydrophobicContact CG-CD1 4.25Å; T142-I185 HydrophobicContact CG2-CB 4.08Å; T142-I185 HydrophobicContact CG2-CG2 3.79Å; W150-I185 WeakPolarHBondContact CA-O 3.13Å; G151-I185 PolarHBondContact N-O 2.86Å; G151-I185 PolarHBondContact O-N 3.34Å; I185-V187 HydrophobicContact CG2-CG1 4.32Å; I185-Y203 HydrophobicContact CG2-CE1 4.11Å; I185-I207 HydrophobicContact CD1-CG2 4.21Å; I185-I207 HydrophobicContact CG2-CD1 4.28Å; I185-I207 HydrophobicContact CG2-CG2 4.28Å; I185-W208 HydrophobicContact CD1-CZ2 4.26Å
186	D	98.9	Very high	98.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	122.6	176.4	-166.1	-12.7	0	0	0	110.2	H53 H101 F104 W150 W188 H190 A191 Y203	H53-D186 IonicContact CE1-OD2 3.55Å; H53-D186 PolarHBondContact CE1-OD2 3.36Å; H53-D186 IonicContact NE2-OD2 3.07Å; H53-D186 PolarHBondContact NE2-OD2 2.91Å; H101-D186 IonicContact NE2-OD2 2.83Å; F104-D186 HydrophobicContact CE2-CB 4.25Å; F104-D186 HydrophobicContact CZ-CB 4.29Å; W150-D186 HydrophobicContact CD2-CB 4.21Å; W150-D186 HydrophobicContact CE3-CB 3.91Å; W150-D186 HydrophobicContact CH2-CB 3.44Å; W150-D186 VanDerWaalsContact CH2-CB 3.44Å; W150-D186 HydrophobicContact CZ2-CB 3.76Å; W150-D186 VanDerWaalsContact CZ2-CG 3.44Å; W150-D186 WeakPolarHBondContact CZ2-OD2 3.33Å; W150-D186 HydrophobicContact CZ3-CB 3.52Å; D186-W188 VanDerWaalsContact OD1-CB 3.23Å; D186-W188 WeakPolarHBondContact OD1-CB 3.43Å; D186-W188 PolarHBondContact OD1-N 3.08Å; D186-H190 IonicContact OD2-CD2 2.79Å; D186-H190 IonicContact OD2-NE2 2.94Å; D186-H190 PolarHBondContact OD2-NE2 3.19Å; D186-H190 VanDerWaalsContact OD2-NE2 3.08Å; D186-A191 HydrophobicContact CB-CB 3.87Å; D186-Y203 WeakPolarHBondContact O-CE1 3.44Å; D186-Y203 PolarHBondContact O-OH 3.47Å; D186-Y203 VanDerWaalsContact O-OH 3.09Å
187	V	98.8	Very high	98.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.			trans	-120.5	23.4	173	-70.5	0	0	0	0	113.1	T142 V145 G149 I185 R200 Y203 V204	T142-V187 HydrophobicContact CG2-CB 4.42Å; T142-V187 HydrophobicContact CG2-CG1 3.3Å; T142-V187 HydrophobicContact CG2-CG2 4.28Å; V145-V187 HydrophobicContact CB-CG2 3.95Å; V145-V187 HydrophobicContact CG1-CG2 4.2Å; V145-V187 HydrophobicContact CG2-CG2 3.96Å; G149-V187 CarbonylContact O-C 3.28Å; G149-V187 WeakPolarHBondContact O-CG2 3.41Å; G149-V187 PolarHBondContact O-N 3.01Å; I185-V187 HydrophobicContact CG2-CG1 4.32Å; V187-R200 HydrophobicContact CB-CG 4.46Å; V187-R200 HydrophobicContact CG1-CG 4.15Å; V187-R200 PolarHBondContact O-NH2 3.28Å; V187-Y203 HydrophobicContact CG1-CE1 4.33Å; V187-V204 HydrophobicContact CG1-CG2 3.94Å
188	W	98.8	Very high	98.7	Very high	35 Å²	35	38.3 Å²	38.3	13%	0.133	19%	0.192	C	C	.	.	S	Bend	trans	-60	143.5	156	-74.3	67.8	0	0	0	110.1	F93 S148 G149 W150 N169 Q170 D186 H190 A191 Y192	F93-W188 AromaticContact CE2-CH2 3.65Å; F93-W188 HydrophobicContact CE2-CH2 3.65Å; F93-W188 AromaticContact CE2-CZ2 3.86Å; F93-W188 HydrophobicContact CE2-CZ2 3.86Å; F93-W188 AromaticContact CZ-CH2 3.82Å; F93-W188 HydrophobicContact CZ-CH2 3.82Å; F93-W188 HydrophobicContact CZ-CZ2 4.33Å; S148-W188 VanDerWaalsContact CB-CD2 3.4Å; S148-W188 WeakPolarHBondContact OG-CZ3 3.44Å; G149-W188 PolarHBondContact O-N 3.33Å; W150-W188 AromaticContact NE1-CD1 3.81Å; W150-W188 AromaticContact NE1-NE1 3.69Å; N169-W188 HydrophobicContact CB-CZ2 4.03Å; N169-W188 PolarHBondContact O-NE1 3.16Å; Q170-W188 HydrophobicContact CG-CZ2 3.81Å; Q170-W188 VanDerWaalsContact NE2-CE2 3.33Å; D186-W188 VanDerWaalsContact OD1-CB 3.23Å; D186-W188 WeakPolarHBondContact OD1-CB 3.43Å; D186-W188 PolarHBondContact OD1-N 3.08Å; W188-H190 WeakPolarHBondContact CB-CE1 3.36Å; W188-H190 WeakPolarHBondContact CB-NE2 3.23Å; W188-H190 AromaticContact CD2-CE1 3.64Å; W188-H190 AromaticContact CE3-CE1 3.72Å; W188-H190 AromaticContact CE3-ND1 3.8Å; W188-H190 AromaticContact CG-CE1 3.47Å; W188-H190 VanDerWaalsContact CG-CE1 3.47Å; W188-H190 AromaticContact CG-NE2 3.99Å; W188-H190 PolarHBondContact O-N 3.09Å; W188-A191 VanDerWaalsContact O-CB 3.29Å; W188-A191 WeakPolarHBondContact O-CB 3.35Å; W188-A191 PolarHBondContact O-N 3.35Å; W188-Y192 WeakPolarHBondContact O-CD1 3.25Å; W188-Y192 WeakPolarHBondContact O-CE1 3.42Å
189	E	98.8	Very high	98.7	Very high	109 Å²	109	38.7 Å²	38.7	51%	0.509	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-58.8	-33.7	-178.5	-67.1	-174.5	132.5	0	0	112	A191 Y192 Y193	E189-A191 PolarHBondContact O-N 3.03Å; E189-Y192 PolarHBondContact O-N 2.93Å; E189-Y192 VanDerWaalsContact O-N 3.11Å; E189-Y193 HydrophobicContact CB-CD2 4.2Å; E189-Y193 HydrophobicContact CG-CD2 4.36Å; E189-Y193 WeakPolarHBondContact O-CB 3.46Å; E189-Y193 PolarHBondContact O-N 3.41Å
190	H	98.8	Very high	98.7	Very high	39 Å²	39	39.3 Å²	39.3	18%	0.181	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-58.6	-22.3	176	64.8	-118.1	0	0	0	113.9	H53 H57 D186 W188 Y192	H53-H190 AromaticContact CD2-CD2 3.57Å; H53-H190 AromaticContact CD2-NE2 3.64Å; H53-H190 AromaticContact CE1-CD2 3.92Å; H53-H190 AromaticContact CE1-NE2 3.98Å; H53-H190 AromaticContact NE2-CD2 3.5Å; H53-H190 PolarHBondContact NE2-CD2 3.14Å; H53-H190 AromaticContact NE2-NE2 3.27Å; H53-H190 PolarHBondContact NE2-NE2 3.09Å; H57-H190 AromaticContact CE1-CG 3.67Å; H57-H190 AromaticContact CE1-ND1 3.69Å; H57-H190 AromaticContact ND1-CG 3.74Å; H57-H190 AromaticContact ND1-ND1 3.5Å; H57-H190 PolarHBondContact ND1-ND1 3.15Å; H57-H190 AromaticContact NE2-CG 3.99Å; D186-H190 IonicContact OD2-CD2 2.79Å; D186-H190 IonicContact OD2-NE2 2.94Å; D186-H190 PolarHBondContact OD2-NE2 3.19Å; D186-H190 VanDerWaalsContact OD2-NE2 3.08Å; W188-H190 WeakPolarHBondContact CB-CE1 3.36Å; W188-H190 WeakPolarHBondContact CB-NE2 3.23Å; W188-H190 AromaticContact CD2-CE1 3.64Å; W188-H190 AromaticContact CE3-CE1 3.72Å; W188-H190 AromaticContact CE3-ND1 3.8Å; W188-H190 AromaticContact CG-CE1 3.47Å; W188-H190 VanDerWaalsContact CG-CE1 3.47Å; W188-H190 AromaticContact CG-NE2 3.99Å; W188-H190 PolarHBondContact O-N 3.09Å; H190-Y192 VanDerWaalsContact C-N 3.31Å; H190-Y192 PolarHBondContact O-N 3.3Å
191	A	98.8	Very high	98.7	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.008	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-78.7	-14.9	-177.9	0	0	0	0	0	113.1	I49 D186 W188 E189	I49-A191 WeakPolarHBondContact CG2-O 3.5Å; D186-A191 HydrophobicContact CB-CB 3.87Å; W188-A191 VanDerWaalsContact O-CB 3.29Å; W188-A191 WeakPolarHBondContact O-CB 3.35Å; W188-A191 PolarHBondContact O-N 3.35Å; E189-A191 PolarHBondContact O-N 3.03Å
192	Y	98.8	Very high	98.7	Very high	5 Å²	5	44.3 Å²	44.3	2%	0.02	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.8	-21.6	-173.4	63.5	-100.6	0	0	0	115.6	W188 E189 H190 L194 Q195 Y196 K197 R200 Y203	W188-Y192 WeakPolarHBondContact O-CD1 3.25Å; W188-Y192 WeakPolarHBondContact O-CE1 3.42Å; E189-Y192 PolarHBondContact O-N 2.93Å; E189-Y192 VanDerWaalsContact O-N 3.11Å; H190-Y192 VanDerWaalsContact C-N 3.31Å; H190-Y192 PolarHBondContact O-N 3.3Å; Y192-L194 VanDerWaalsContact C-N 3.29Å; Y192-L194 PolarHBondContact O-N 3.48Å; Y192-Q195 PolarHBondContact O-N 2.87Å; Y192-Y196 PolarHBondContact O-N 3.28Å; Y192-K197 WeakPolarHBondContact CD2-O 3.37Å; Y192-K197 VanDerWaalsContact CE2-O 3.22Å; Y192-K197 WeakPolarHBondContact CE2-O 3.39Å; Y192-R200 HydrophobicContact CE1-CB 4.33Å; Y192-R200 HydrophobicContact CE1-CG 3.94Å; Y192-R200 HydrophobicContact CE2-CB 4.12Å; Y192-R200 PolarHBondContact OH-NE 2.87Å; Y192-R200 PolarHBondContact OH-NH2 2.83Å; Y192-Y203 AromaticContact CD1-CD1 3.92Å; Y192-Y203 HydrophobicContact CD1-CD1 3.92Å; Y192-Y203 HydrophobicContact CD1-CE1 4.29Å; Y192-Y203 HydrophobicContact CD1-CG 4.28Å; Y192-Y203 HydrophobicContact CG-CD1 4.17Å; Y192-Y203 HydrophobicContact CG-CG 4.06Å
193	Y	98.8	Very high	98.7	Very high	106 Å²	106	44.4 Å²	44.4	42%	0.416	22%	0.216	S	C	.	.	H	α-helix	trans	-64	-32.8	-162.7	-158.6	-90.3	0	0	0	113.2	E189 Q195 K197	E189-Y193 HydrophobicContact CB-CD2 4.2Å; E189-Y193 HydrophobicContact CG-CD2 4.36Å; E189-Y193 WeakPolarHBondContact O-CB 3.46Å; E189-Y193 PolarHBondContact O-N 3.41Å; Y193-Q195 PolarHBondContact O-N 2.99Å; Y193-K197 VanDerWaalsContact CD2-O 3.25Å; Y193-K197 WeakPolarHBondContact CD2-O 3.43Å; Y193-K197 VanDerWaalsContact O-CA 3.25Å; Y193-K197 WeakPolarHBondContact O-CA 3.4Å; Y193-K197 WeakPolarHBondContact O-CD 3.24Å; Y193-K197 PolarHBondContact O-N 2.89Å
194	L	98.7	Very high	98.7	Very high	71 Å²	71	44.4 Å²	44.4	37%	0.372	22%	0.216	S	C	.	.	H	α-helix	trans	-61.9	-33.5	178.4	-66.8	176.9	0	0	0	112.3	E48 I49 L52 Y192 K197	E48-L194 HydrophobicContact CG-CD1 3.92Å; I49-L194 HydrophobicContact CD1-CB 4.23Å; I49-L194 HydrophobicContact CG1-CB 3.92Å; I49-L194 HydrophobicContact CG1-CD1 4.3Å; L52-L194 HydrophobicContact CD1-CD1 3.72Å; Y192-L194 VanDerWaalsContact C-N 3.29Å; Y192-L194 PolarHBondContact O-N 3.48Å; L194-K197 PolarHBondContact O-NZ 3.28Å
195	Q	98.8	Very high	98.7	Very high	60 Å²	60	51.8 Å²	51.8	28%	0.28	25%	0.248	S	C	.	.	H	α-helix	trans	-100.2	-45	-177.9	-175.8	175.6	-2.3	0	0	113.4	P43 I49 Y192 Y193	P43-Q195 PolarHBondContact O-NE2 3.16Å; I49-Q195 HydrophobicContact CD1-CB 3.67Å; Y192-Q195 PolarHBondContact O-N 2.87Å; Y193-Q195 PolarHBondContact O-N 2.99Å
196	Y	98.8	Very high	98.7	Very high	37 Å²	37	52.3 Å²	52.3	15%	0.145	25%	0.252	C	S	.	.	H	α-helix	trans	-103.6	-4.5	-172	-64.4	-82.9	0	0	0	113.9	H44 Y192 N198 V199 D202 Y203 A206	H44-Y196 PolarHBondContact O-OH 3.15Å; Y192-Y196 PolarHBondContact O-N 3.28Å; Y196-N198 PolarHBondContact O-N 3.41Å; Y196-V199 WeakPolarHBondContact O-CB 3.09Å; Y196-V199 PolarHBondContact O-N 2.86Å; Y196-D202 HydrophobicContact CD1-CB 3.73Å; Y196-D202 HydrophobicContact CE1-CB 4.16Å; Y196-Y203 HydrophobicContact CD2-CD2 4Å; Y196-Y203 HydrophobicContact CD2-CG 4.3Å; Y196-Y203 AromaticContact CE2-CD2 3.96Å; Y196-Y203 HydrophobicContact CE2-CD2 3.96Å; Y196-A206 HydrophobicContact CE1-CB 4.18Å; Y196-A206 WeakPolarHBondContact OH-CB 3.33Å
197	K	98.6	Very high	98.7	Very high	105 Å²	105	52.3 Å²	52.3	46%	0.457	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	-132.8	-177.8	-51.4	-62.7	171.7	-150.4	0	110.5	Y192 Y193 L194 V199	Y192-K197 WeakPolarHBondContact CD2-O 3.37Å; Y192-K197 VanDerWaalsContact CE2-O 3.22Å; Y192-K197 WeakPolarHBondContact CE2-O 3.39Å; Y193-K197 VanDerWaalsContact CD2-O 3.25Å; Y193-K197 WeakPolarHBondContact CD2-O 3.43Å; Y193-K197 VanDerWaalsContact O-CA 3.25Å; Y193-K197 WeakPolarHBondContact O-CA 3.4Å; Y193-K197 WeakPolarHBondContact O-CD 3.24Å; Y193-K197 PolarHBondContact O-N 2.89Å; L194-K197 PolarHBondContact O-NZ 3.28Å; K197-V199 PolarHBondContact O-N 3.37Å
198	N	97.8	Very high	98.7	Very high	127 Å²	127	52.7 Å²	52.7	68%	0.679	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-2.9	178.2	64.1	-70.4	0	0	0	114.1	Y196 R200	Y196-N198 PolarHBondContact O-N 3.41Å; N198-R200 VanDerWaalsContact C-N 3.32Å; N198-R200 PolarHBondContact O-N 3.33Å; N198-R200 VanDerWaalsContact O-N 3.12Å
199	V	98.3	Very high	98.7	Very high	55 Å²	55	54.9 Å²	54.9	33%	0.333	27%	0.268	S	S	.	.			trans	-92.3	61.8	-171.9	-158.6	0	0	0	0	111	Y196 K197 P201 D202	Y196-V199 WeakPolarHBondContact O-CB 3.09Å; Y196-V199 PolarHBondContact O-N 2.86Å; K197-V199 PolarHBondContact O-N 3.37Å; V199-P201 VanDerWaalsContact C-N 3.27Å; V199-D202 HydrophobicContact CB-CB 4.42Å; V199-D202 HydrophobicContact CG1-CB 4Å; V199-D202 WeakPolarHBondContact CG1-OD2 3.5Å; V199-D202 PolarHBondContact O-N 3.25Å
200	R	98.6	Very high	98.7	Very high	30 Å²	30	49.9 Å²	49.9	11%	0.113	25%	0.245	C	C	.	.	H	α-helix	trans	-48.2	-39.3	176	-174.8	-171.1	-67.9	177.9	-9.7	114	V143 V145 G147 V187 Y192 N198 D202 Y203 V204	V143-R200 PolarHBondContact O-NH1 3.5Å; V143-R200 VanDerWaalsContact O-NH1 3.15Å; V145-R200 PolarHBondContact O-NH1 3.3Å; G147-R200 PolarHBondContact O-NH2 2.94Å; V187-R200 HydrophobicContact CB-CG 4.46Å; V187-R200 HydrophobicContact CG1-CG 4.15Å; V187-R200 PolarHBondContact O-NH2 3.28Å; Y192-R200 HydrophobicContact CE1-CB 4.33Å; Y192-R200 HydrophobicContact CE1-CG 3.94Å; Y192-R200 HydrophobicContact CE2-CB 4.12Å; Y192-R200 PolarHBondContact OH-NE 2.87Å; Y192-R200 PolarHBondContact OH-NH2 2.83Å; N198-R200 VanDerWaalsContact C-N 3.32Å; N198-R200 PolarHBondContact O-N 3.33Å; N198-R200 VanDerWaalsContact O-N 3.12Å; R200-D202 PolarHBondContact O-N 2.87Å; R200-Y203 WeakPolarHBondContact O-CB 3.25Å; R200-Y203 PolarHBondContact O-N 2.71Å; R200-V204 HydrophobicContact CG-CG2 4.18Å; R200-V204 WeakPolarHBondContact O-CG2 3.35Å; R200-V204 PolarHBondContact O-N 3.36Å
201	P	98.8	Very high	98.7	Very high	64 Å²	64	48 Å²	48	42%	0.416	24%	0.236	S	C	.	.	H	α-helix	trans	-57.7	-33.9	177.1	-27	36.5	0	0	0	114.2	V143 V199 V204 K205	V143-P201 HydrophobicContact CG1-CG 3.96Å; V143-P201 HydrophobicContact CG2-CB 4.38Å; V143-P201 HydrophobicContact CG2-CG 4.3Å; V199-P201 VanDerWaalsContact C-N 3.27Å; P201-V204 PolarHBondContact O-N 3.01Å; P201-K205 WeakPolarHBondContact O-CB 3.4Å; P201-K205 PolarHBondContact O-N 3.23Å
202	D	98.8	Very high	98.7	Very high	86 Å²	86	49.7 Å²	49.7	46%	0.46	25%	0.245	S	C	.	.	H	α-helix	trans	-71.2	-39.1	179.7	-74.2	-2.4	0	0	0	111.3	Y196 V199 R200 K205 A206	Y196-D202 HydrophobicContact CD1-CB 3.73Å; Y196-D202 HydrophobicContact CE1-CB 4.16Å; V199-D202 HydrophobicContact CB-CB 4.42Å; V199-D202 HydrophobicContact CG1-CB 4Å; V199-D202 WeakPolarHBondContact CG1-OD2 3.5Å; V199-D202 PolarHBondContact O-N 3.25Å; R200-D202 PolarHBondContact O-N 2.87Å; D202-K205 PolarHBondContact O-N 3.08Å; D202-A206 WeakPolarHBondContact O-CB 3.5Å; D202-A206 PolarHBondContact O-N 3.35Å
203	Y	98.9	Very high	98.7	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-60.8	-51	170.5	164.6	-104.6	0	0	0	111.8	I45 I185 D186 V187 Y192 Y196 R200 K205 A206 I207	I45-Y203 HydrophobicContact CD1-CE2 4.32Å; I45-Y203 HydrophobicContact CG1-CE2 4.38Å; I185-Y203 HydrophobicContact CG2-CE1 4.11Å; D186-Y203 WeakPolarHBondContact O-CE1 3.44Å; D186-Y203 PolarHBondContact O-OH 3.47Å; D186-Y203 VanDerWaalsContact O-OH 3.09Å; V187-Y203 HydrophobicContact CG1-CE1 4.33Å; Y192-Y203 AromaticContact CD1-CD1 3.92Å; Y192-Y203 HydrophobicContact CD1-CD1 3.92Å; Y192-Y203 HydrophobicContact CD1-CE1 4.29Å; Y192-Y203 HydrophobicContact CD1-CG 4.28Å; Y192-Y203 HydrophobicContact CG-CD1 4.17Å; Y192-Y203 HydrophobicContact CG-CG 4.06Å; Y196-Y203 HydrophobicContact CD2-CD2 4Å; Y196-Y203 HydrophobicContact CD2-CG 4.3Å; Y196-Y203 AromaticContact CE2-CD2 3.96Å; Y196-Y203 HydrophobicContact CE2-CD2 3.96Å; R200-Y203 WeakPolarHBondContact O-CB 3.25Å; R200-Y203 PolarHBondContact O-N 2.71Å; Y203-K205 PolarHBondContact O-N 2.91Å; Y203-A206 PolarHBondContact O-N 3.46Å; Y203-I207 HydrophobicContact CE2-CD1 4.2Å; Y203-I207 PolarHBondContact O-N 3.49Å; Y203-I207 WeakPolarHBondContact OH-CD1 3.31Å
204	V	98.8	Very high	98.7	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-29.8	179.4	174.6	0	0	0	0	111.1	A139 T142 V143 V187 R200 P201 I207 W208	A139-V204 HydrophobicContact CB-CG1 4.01Å; T142-V204 HydrophobicContact CG2-CG1 4.4Å; T142-V204 HydrophobicContact CG2-CG2 3.91Å; V143-V204 HydrophobicContact CG2-CB 4.1Å; V143-V204 HydrophobicContact CG2-CG1 4.21Å; V143-V204 HydrophobicContact CG2-CG2 3.96Å; V187-V204 HydrophobicContact CG1-CG2 3.94Å; R200-V204 HydrophobicContact CG-CG2 4.18Å; R200-V204 WeakPolarHBondContact O-CG2 3.35Å; R200-V204 PolarHBondContact O-N 3.36Å; P201-V204 PolarHBondContact O-N 3.01Å; V204-I207 WeakPolarHBondContact O-CG2 3.33Å; V204-W208 PolarHBondContact O-NE1 2.85Å
205	K	98.8	Very high	98.7	Very high	155 Å²	155	50.2 Å²	50.2	67%	0.674	25%	0.25	S	C	*	.	H	α-helix	trans	-72.3	-43.4	171.6	-177.6	-179.3	176.5	-175.9	0	112	P201 D202 Y203	P201-K205 WeakPolarHBondContact O-CB 3.4Å; P201-K205 PolarHBondContact O-N 3.23Å; D202-K205 PolarHBondContact O-N 3.08Å; Y203-K205 PolarHBondContact O-N 2.91Å
206	A	98.8	Very high	98.7	Very high	11 Å²	11	47.4 Å²	47.4	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-68.9	-39	-175.8	0	0	0	0	0	113.2	H44 Y196 D202 Y203 W208 N209	H44-A206 HydrophobicContact CB-CB 4.46Å; Y196-A206 HydrophobicContact CE1-CB 4.18Å; Y196-A206 WeakPolarHBondContact OH-CB 3.33Å; D202-A206 WeakPolarHBondContact O-CB 3.5Å; D202-A206 PolarHBondContact O-N 3.35Å; Y203-A206 PolarHBondContact O-N 3.46Å; A206-W208 PolarHBondContact O-N 3.4Å; A206-W208 VanDerWaalsContact O-N 3.11Å; A206-N209 WeakPolarHBondContact O-CB 3.49Å; A206-N209 PolarHBondContact O-N 3.48Å; A206-N209 PolarHBondContact O-ND2 3.15Å
207	I	98.8	Very high	98.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-61	-25.3	-175.5	-163.7	163	0	0	0	113.4	I45 F104 L108 I185 Y203 V204 N209 V210 I211	I45-I207 HydrophobicContact CD1-CD1 4.1Å; I45-I207 HydrophobicContact CD1-CG1 4.18Å; F104-I207 HydrophobicContact CE2-CD1 3.81Å; F104-I207 HydrophobicContact CZ-CD1 4.14Å; L108-I207 HydrophobicContact CD2-CD1 4.02Å; L108-I207 HydrophobicContact CD2-CG1 3.9Å; I185-I207 HydrophobicContact CD1-CG2 4.21Å; I185-I207 HydrophobicContact CG2-CD1 4.28Å; I185-I207 HydrophobicContact CG2-CG2 4.28Å; Y203-I207 HydrophobicContact CE2-CD1 4.2Å; Y203-I207 PolarHBondContact O-N 3.49Å; Y203-I207 WeakPolarHBondContact OH-CD1 3.31Å; V204-I207 WeakPolarHBondContact O-CG2 3.33Å; I207-N209 PolarHBondContact O-N 3.46Å; I207-V210 HydrophobicContact CG1-CG2 4.05Å; I207-V210 WeakPolarHBondContact O-CG2 3.42Å; I207-V210 PolarHBondContact O-N 3.42Å; I207-I211 HydrophobicContact CG1-CD1 4.05Å; I207-I211 WeakPolarHBondContact O-CG1 3.41Å; I207-I211 PolarHBondContact O-N 3.09Å
208	W	98.8	Very high	98.7	Very high	8 Å²	8	48.8 Å²	48.8	3%	0.03	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-59.4	-19.2	175.2	-69.7	99.9	0	0	0	114.2	G113 F131 M134 K135 M138 L183 I185 V204 A206 V210 I211 W213	G113-W208 WeakPolarHBondContact CA-O 3.19Å; F131-W208 HydrophobicContact CE2-CZ3 4.42Å; F131-W208 HydrophobicContact CZ-CE3 4.42Å; F131-W208 HydrophobicContact CZ-CZ3 4.35Å; M134-W208 HydrophobicContact CE-CH2 4.2Å; M134-W208 HydrophobicContact CE-CZ3 4.19Å; M134-W208 HydrophobicContact SD-CH2 4.2Å; K135-W208 HydrophobicContact CB-CH2 4.16Å; K135-W208 HydrophobicContact CB-CZ2 4.25Å; K135-W208 HydrophobicContact CB-CZ3 4.42Å; K135-W208 HydrophobicContact CD-CD2 3.87Å; K135-W208 HydrophobicContact CD-CE3 4.09Å; K135-W208 HydrophobicContact CD-CG 4.13Å; K135-W208 VanDerWaalsContact CE-CD1 3.48Å; K135-W208 HydrophobicContact CG-CD2 3.84Å; K135-W208 HydrophobicContact CG-CE3 4.15Å; K135-W208 HydrophobicContact CG-CG 4.4Å; K135-W208 HydrophobicContact CG-CH2 4.02Å; K135-W208 HydrophobicContact CG-CZ2 3.72Å; K135-W208 HydrophobicContact CG-CZ3 4.21Å; M138-W208 HydrophobicContact CB-CH2 4.12Å; M138-W208 HydrophobicContact CB-CZ2 3.94Å; M138-W208 HydrophobicContact CG-CH2 4.01Å; M138-W208 HydrophobicContact CG-CZ2 3.82Å; L183-W208 HydrophobicContact CD2-CH2 4.45Å; L183-W208 HydrophobicContact CD2-CZ3 4.37Å; I185-W208 HydrophobicContact CD1-CZ2 4.26Å; V204-W208 PolarHBondContact O-NE1 2.85Å; A206-W208 PolarHBondContact O-N 3.4Å; A206-W208 VanDerWaalsContact O-N 3.11Å; W208-V210 VanDerWaalsContact C-N 3.32Å; W208-I211 HydrophobicContact CE3-CG1 4.4Å; W208-W213 HydrophobicContact CE3-CH2 4.37Å; W208-W213 AromaticContact CE3-CZ2 3.95Å; W208-W213 HydrophobicContact CE3-CZ2 3.95Å; W208-W213 AromaticContact CZ3-CH2 3.74Å; W208-W213 HydrophobicContact CZ3-CH2 3.74Å; W208-W213 AromaticContact CZ3-CZ2 3.77Å; W208-W213 HydrophobicContact CZ3-CZ2 3.77Å
209	N	98.8	Very high	98.7	Very high	81 Å²	81	45.3 Å²	45.3	43%	0.433	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-82.1	-10.2	177.9	-58.3	-65	0	0	0	113.3	H44 G112 G113 A206 I207	H44-N209 WeakPolarHBondContact NE2-CB 3.4Å; G112-N209 CarbonylContact C-O 3.48Å; G113-N209 WeakPolarHBondContact CA-O 3.36Å; G113-N209 PolarHBondContact N-O 3.39Å; A206-N209 WeakPolarHBondContact O-CB 3.49Å; A206-N209 PolarHBondContact O-N 3.48Å; A206-N209 PolarHBondContact O-ND2 3.15Å; I207-N209 PolarHBondContact O-N 3.46Å
210	V	98.8	Very high	98.8	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.024	21%	0.208	C	C	.	.	S	Bend	trans	-122.1	10.4	-178.3	-66.6	0	0	0	0	112.6	L41 H44 I45 L108 S109 I207 W208 N212	L41-V210 HydrophobicContact CB-CG1 4.24Å; L41-V210 HydrophobicContact CD2-CB 4.24Å; L41-V210 HydrophobicContact CD2-CG1 4.28Å; H44-V210 HydrophobicContact CB-CG1 3.91Å; H44-V210 HydrophobicContact CB-CG2 4.47Å; I45-V210 HydrophobicContact CD1-CG2 4.32Å; L108-V210 CarbonylContact C-O 3.57Å; L108-V210 VanDerWaalsContact CA-O 3.25Å; L108-V210 WeakPolarHBondContact CA-O 3.32Å; L108-V210 HydrophobicContact CD2-CG2 3.94Å; S109-V210 PolarHBondContact N-O 2.96Å; I207-V210 HydrophobicContact CG1-CG2 4.05Å; I207-V210 WeakPolarHBondContact O-CG2 3.42Å; I207-V210 PolarHBondContact O-N 3.42Å; W208-V210 VanDerWaalsContact C-N 3.32Å; V210-N212 PolarHBondContact O-N 3.19Å
211	I	98.9	Very high	98.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-68.9	127.3	177.9	-61.4	-50.9	0	0	0	110.6	N107 L108 G112 G113 L183 I207 W208 W213 V216	N107-I211 WeakPolarHBondContact O-CA 3.46Å; L108-I211 HydrophobicContact CD2-CD1 3.99Å; G112-I211 CarbonylContact C-O 3.45Å; G112-I211 VanDerWaalsContact CA-O 3.22Å; G112-I211 WeakPolarHBondContact CA-O 3.46Å; G113-I211 PolarHBondContact N-O 3.42Å; L183-I211 HydrophobicContact CD1-CD1 3.8Å; L183-I211 HydrophobicContact CD1-CG1 4.49Å; L183-I211 HydrophobicContact CD1-CG2 4.02Å; L183-I211 HydrophobicContact CD2-CG2 4.26Å; I207-I211 HydrophobicContact CG1-CD1 4.05Å; I207-I211 WeakPolarHBondContact O-CG1 3.41Å; I207-I211 PolarHBondContact O-N 3.09Å; W208-I211 HydrophobicContact CE3-CG1 4.4Å; I211-W213 HydrophobicContact CB-CZ2 4.31Å; I211-W213 HydrophobicContact CG2-CD2 3.86Å; I211-W213 HydrophobicContact CG2-CE3 4.07Å; I211-W213 HydrophobicContact CG2-CG 4.42Å; I211-W213 HydrophobicContact CG2-CH2 4.08Å; I211-W213 HydrophobicContact CG2-CZ2 3.87Å; I211-W213 HydrophobicContact CG2-CZ3 4.2Å; I211-W213 PolarHBondContact O-N 3.04Å; I211-V216 HydrophobicContact CG2-CG2 4.31Å
212	N	98.9	Very high	98.7	Very high	35 Å²	35	45.9 Å²	45.9	19%	0.187	22%	0.22	C	C	.	.			trans	-82.4	87	173.6	-173.3	-9.9	0	0	0	110.8	T106 N107 V210 E214 N215 V216	T106-N212 PolarHBondContact O-ND2 2.94Å; N107-N212 PolarHBondContact O-N 2.99Å; V210-N212 PolarHBondContact O-N 3.19Å; N212-E214 PolarHBondContact O-N 3.5Å; N212-E214 WeakPolarHBondContact OD1-CB 3.37Å; N212-E214 PolarHBondContact OD1-N 3.16Å; N212-N215 HydrophobicContact CB-CB 4.13Å; N212-N215 PolarHBondContact O-N 3.41Å; N212-N215 PolarHBondContact OD1-N 3.33Å; N212-N215 VanDerWaalsContact OD1-N 3.17Å; N212-V216 WeakPolarHBondContact O-CG2 3.37Å; N212-V216 PolarHBondContact O-N 2.94Å; N212-V216 VanDerWaalsContact O-N 3.17Å
213	W	98.8	Very high	98.6	Very high	19 Å²	19	42 Å²	42	7%	0.072	20%	0.2	C	C	.	.	H	α-helix	trans	-64.1	-25.6	180	-70.5	120.7	0	0	0	114.4	G114 P116 L120 F131 M134 L183 W208 I211 V216 H217	G114-W213 PolarHBondContact O-NE1 3.43Å; P116-W213 HydrophobicContact CB-CB 4.2Å; P116-W213 HydrophobicContact CB-CD2 3.83Å; P116-W213 HydrophobicContact CB-CE3 3.72Å; P116-W213 HydrophobicContact CB-CG 4.03Å; P116-W213 HydrophobicContact CB-CZ3 4.41Å; P116-W213 HydrophobicContact CG-CD2 4.08Å; P116-W213 HydrophobicContact CG-CE3 3.95Å; P116-W213 HydrophobicContact CG-CZ3 4.19Å; L120-W213 HydrophobicContact CD2-CE3 3.94Å; L120-W213 HydrophobicContact CD2-CZ3 4.41Å; F131-W213 AromaticContact CE2-CH2 3.69Å; F131-W213 HydrophobicContact CE2-CH2 3.69Å; F131-W213 AromaticContact CE2-CZ2 3.47Å; F131-W213 HydrophobicContact CE2-CZ2 3.47Å; F131-W213 VanDerWaalsContact CE2-CZ2 3.47Å; F131-W213 HydrophobicContact CZ-CH2 4.23Å; F131-W213 AromaticContact CZ-CZ2 3.55Å; F131-W213 HydrophobicContact CZ-CZ2 3.55Å; M134-W213 HydrophobicContact CE-CH2 4.13Å; L183-W213 HydrophobicContact CD2-CH2 4.02Å; L183-W213 HydrophobicContact CD2-CZ3 4.26Å; W208-W213 HydrophobicContact CE3-CH2 4.37Å; W208-W213 AromaticContact CE3-CZ2 3.95Å; W208-W213 HydrophobicContact CE3-CZ2 3.95Å; W208-W213 AromaticContact CZ3-CH2 3.74Å; W208-W213 HydrophobicContact CZ3-CH2 3.74Å; W208-W213 AromaticContact CZ3-CZ2 3.77Å; W208-W213 HydrophobicContact CZ3-CZ2 3.77Å; I211-W213 HydrophobicContact CB-CZ2 4.31Å; I211-W213 HydrophobicContact CG2-CD2 3.86Å; I211-W213 HydrophobicContact CG2-CE3 4.07Å; I211-W213 HydrophobicContact CG2-CG 4.42Å; I211-W213 HydrophobicContact CG2-CH2 4.08Å; I211-W213 HydrophobicContact CG2-CZ2 3.87Å; I211-W213 HydrophobicContact CG2-CZ3 4.2Å; I211-W213 PolarHBondContact O-N 3.04Å; W213-V216 HydrophobicContact CE3-CB 4.08Å; W213-V216 HydrophobicContact CE3-CG1 4.23Å; W213-V216 HydrophobicContact CE3-CG2 4.19Å; W213-V216 HydrophobicContact CZ3-CB 4.45Å; W213-V216 HydrophobicContact CZ3-CG1 4.17Å; W213-V216 HydrophobicContact CZ3-CG2 4.41Å; W213-V216 PolarHBondContact O-N 3.11Å; W213-H217 VanDerWaalsContact O-CB 3.31Å; W213-H217 WeakPolarHBondContact O-CB 3.47Å; W213-H217 PolarHBondContact O-N 3.1Å
214	E	98.6	Very high	98.4	Very high	156 Å²	156	46.6 Å²	46.6	73%	0.729	22%	0.22	S	C	*	.	H	α-helix	trans	-64.3	-47.5	173.9	-176.4	178.3	-173.1	0	0	110.4	N212 V216 H217 E218	N212-E214 PolarHBondContact O-N 3.5Å; N212-E214 WeakPolarHBondContact OD1-CB 3.37Å; N212-E214 PolarHBondContact OD1-N 3.16Å; E214-V216 PolarHBondContact O-N 3.48Å; E214-H217 WeakPolarHBondContact O-CB 3.11Å; E214-H217 PolarHBondContact O-N 2.99Å; E214-E218 PolarHBondContact O-N 3.42Å
215	N	98.8	Very high	97.9	Very high	19 Å²	19	56.1 Å²	56.1	10%	0.102	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-42.2	176	-177.7	-102.4	0	0	0	112.4	T106 N107 N212 H217 E218 R219	T106-N215 WeakPolarHBondContact O-CB 3.2Å; T106-N215 PolarHBondContact O-OD1 3.26Å; T106-N215 PolarHBondContact OG1-OD1 2.89Å; N107-N215 PolarHBondContact ND2-OD1 3.23Å; N212-N215 HydrophobicContact CB-CB 4.13Å; N212-N215 PolarHBondContact O-N 3.41Å; N212-N215 PolarHBondContact OD1-N 3.33Å; N212-N215 VanDerWaalsContact OD1-N 3.17Å; N215-H217 VanDerWaalsContact C-N 3.28Å; N215-H217 PolarHBondContact O-N 3.48Å; N215-E218 PolarHBondContact O-N 2.79Å; N215-R219 VanDerWaalsContact O-CG 3.32Å; N215-R219 WeakPolarHBondContact O-CG 3.25Å; N215-R219 PolarHBondContact O-N 3.29Å; N215-R219 PolarHBondContact OD1-NE 3.32Å
216	V	98.9	Very high	97.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-39.1	176.9	-178.2	0	0	0	0	110.7	L120 L182 L183 I211 N212 W213 E214 L220	L120-V216 HydrophobicContact CD1-CG1 4.36Å; L120-V216 HydrophobicContact CD2-CB 4Å; L120-V216 HydrophobicContact CD2-CG1 3.67Å; L182-V216 HydrophobicContact CB-CG1 4.02Å; L183-V216 HydrophobicContact CB-CG1 4.26Å; L183-V216 HydrophobicContact CB-CG2 3.98Å; L183-V216 HydrophobicContact CD1-CG2 4.33Å; I211-V216 HydrophobicContact CG2-CG2 4.31Å; N212-V216 WeakPolarHBondContact O-CG2 3.37Å; N212-V216 PolarHBondContact O-N 2.94Å; N212-V216 VanDerWaalsContact O-N 3.17Å; W213-V216 HydrophobicContact CE3-CB 4.08Å; W213-V216 HydrophobicContact CE3-CG1 4.23Å; W213-V216 HydrophobicContact CE3-CG2 4.19Å; W213-V216 HydrophobicContact CZ3-CB 4.45Å; W213-V216 HydrophobicContact CZ3-CG1 4.17Å; W213-V216 HydrophobicContact CZ3-CG2 4.41Å; W213-V216 PolarHBondContact O-N 3.11Å; E214-V216 PolarHBondContact O-N 3.48Å; V216-L220 PolarHBondContact O-N 3.49Å; V216-L220 VanDerWaalsContact O-N 3.15Å
217	H	98.8	Very high	97.8	Very high	61 Å²	61	53.3 Å²	53.3	28%	0.282	25%	0.248	S	C	.	.	H	α-helix	trans	-66.8	-45	176	-179.1	77.3	0	0	0	112.1	L120 W213 E214 N215 R219 L220 Q221	L120-H217 HydrophobicContact CB-CB 4.3Å; L120-H217 HydrophobicContact CD2-CB 4.09Å; W213-H217 VanDerWaalsContact O-CB 3.31Å; W213-H217 WeakPolarHBondContact O-CB 3.47Å; W213-H217 PolarHBondContact O-N 3.1Å; E214-H217 WeakPolarHBondContact O-CB 3.11Å; E214-H217 PolarHBondContact O-N 2.99Å; N215-H217 VanDerWaalsContact C-N 3.28Å; N215-H217 PolarHBondContact O-N 3.48Å; H217-R219 VanDerWaalsContact C-N 3.32Å; H217-R219 PolarHBondContact O-N 3.23Å; H217-L220 WeakPolarHBondContact O-CB 3.36Å; H217-L220 PolarHBondContact O-N 2.91Å; H217-L220 VanDerWaalsContact O-N 3.11Å; H217-Q221 PolarHBondContact CE1-NE2 3.04Å; H217-Q221 WeakPolarHBondContact O-CG 3.31Å; H217-Q221 PolarHBondContact O-N 2.9Å
218	E	98.6	Very high	97.7	Very high	110 Å²	110	56.2 Å²	56.2	51%	0.514	26%	0.262	S	S	.	.	H	α-helix	trans	-58.3	-44.4	176.1	-174.6	-176	-168.1	0	0	111.5	E214 N215 L220 Q221 I222	E214-E218 PolarHBondContact O-N 3.42Å; N215-E218 PolarHBondContact O-N 2.79Å; E218-L220 VanDerWaalsContact C-N 3.28Å; E218-L220 PolarHBondContact O-N 3.43Å; E218-Q221 WeakPolarHBondContact O-CB 3.23Å; E218-Q221 PolarHBondContact O-N 2.93Å; E218-Q221 VanDerWaalsContact O-N 3.12Å; E218-I222 HydrophobicContact CG-CD1 4.05Å; E218-I222 WeakPolarHBondContact O-CG1 3.49Å; E218-I222 PolarHBondContact O-N 3.02Å
219	R	98.7	Very high	97.7	Very high	55 Å²	55	59.1 Å²	59.1	21%	0.208	28%	0.276	C	S	.	.	H	α-helix	trans	-58.6	-40	174.9	-72.4	174.1	177	-72.3	-5.1	112.1	T106 L182 N215 H217 I222 A223	T106-R219 PolarHBondContact OG1-NH2 2.85Å; L182-R219 HydrophobicContact CD2-CB 3.84Å; L182-R219 VanDerWaalsContact O-CD 3.23Å; L182-R219 WeakPolarHBondContact O-CD 3.04Å; N215-R219 VanDerWaalsContact O-CG 3.32Å; N215-R219 WeakPolarHBondContact O-CG 3.25Å; N215-R219 PolarHBondContact O-N 3.29Å; N215-R219 PolarHBondContact OD1-NE 3.32Å; H217-R219 VanDerWaalsContact C-N 3.32Å; H217-R219 PolarHBondContact O-N 3.23Å; R219-I222 PolarHBondContact O-N 2.62Å; R219-A223 VanDerWaalsContact O-CB 3.29Å; R219-A223 WeakPolarHBondContact O-CB 3.44Å; R219-A223 PolarHBondContact O-N 3.48Å
220	L	98.7	Very high	97.6	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-44.5	174.9	177.1	63.6	0	0	0	111.3	L120 A123 Y155 L162 L182 V216 H217 E218 I222 A223 K224	L120-L220 HydrophobicContact CB-CD2 4.18Å; L120-L220 HydrophobicContact CD1-CD2 3.84Å; A123-L220 HydrophobicContact CB-CD2 4.41Å; Y155-L220 HydrophobicContact CD2-CD1 3.64Å; Y155-L220 HydrophobicContact CE2-CD1 3.96Å; Y155-L220 HydrophobicContact CG-CD1 4.23Å; L162-L220 HydrophobicContact CD2-CD1 4.29Å; L182-L220 HydrophobicContact CD1-CB 4.31Å; L182-L220 HydrophobicContact CD1-CD1 4.15Å; L182-L220 HydrophobicContact CD2-CB 4.32Å; V216-L220 PolarHBondContact O-N 3.49Å; V216-L220 VanDerWaalsContact O-N 3.15Å; H217-L220 WeakPolarHBondContact O-CB 3.36Å; H217-L220 PolarHBondContact O-N 2.91Å; H217-L220 VanDerWaalsContact O-N 3.11Å; E218-L220 VanDerWaalsContact C-N 3.28Å; E218-L220 PolarHBondContact O-N 3.43Å; L220-I222 VanDerWaalsContact C-N 3.3Å; L220-I222 PolarHBondContact O-N 3.28Å; L220-A223 PolarHBondContact O-N 3.37Å; L220-K224 HydrophobicContact CD1-CD 4.41Å; L220-K224 HydrophobicContact CD1-CG 4.32Å; L220-K224 HydrophobicContact CG-CD 4.43Å; L220-K224 WeakPolarHBondContact O-CG 3.37Å; L220-K224 PolarHBondContact O-N 2.9Å; L220-K224 VanDerWaalsContact O-N 3.1Å
221	Q	98.1	Very high	97.5	Very high	58 Å²	58	61.3 Å²	61.3	27%	0.271	28%	0.282	S	S	.	.	H	α-helix	trans	-61	-40	177.8	-66.6	-54.3	-39.4	0	0	112.2	E119 H217 E218	E119-Q221 PolarHBondContact OE2-NE2 3.3Å; H217-Q221 PolarHBondContact CE1-NE2 3.04Å; H217-Q221 WeakPolarHBondContact O-CG 3.31Å; H217-Q221 PolarHBondContact O-N 2.9Å; E218-Q221 WeakPolarHBondContact O-CB 3.23Å; E218-Q221 PolarHBondContact O-N 2.93Å; E218-Q221 VanDerWaalsContact O-N 3.12Å
222	I	97.9	Very high	97.4	Very high	100 Å²	100	65.6 Å²	65.6	51%	0.513	30%	0.302	S	S	.	.	H	α-helix	trans	-67.5	-44.6	175.7	-66.1	166.2	0	0	0	110.5	E218 R219 L220 K224 K225	E218-I222 HydrophobicContact CG-CD1 4.05Å; E218-I222 WeakPolarHBondContact O-CG1 3.49Å; E218-I222 PolarHBondContact O-N 3.02Å; R219-I222 PolarHBondContact O-N 2.62Å; L220-I222 VanDerWaalsContact C-N 3.3Å; L220-I222 PolarHBondContact O-N 3.28Å; I222-K224 PolarHBondContact O-N 2.96Å; I222-K225 PolarHBondContact O-N 3.43Å; I222-K225 VanDerWaalsContact O-N 3.13Å
223	A	97.3	Very high	97.3	Very high	4 Å²	4	67.9 Å²	67.9	3%	0.033	31%	0.31	C	S	.	.	H	α-helix	trans	-61.7	-29.4	-178.2	0	0	0	0	0	113.6	Y155 I180 L182 R219 L220	Y155-A223 HydrophobicContact CD1-CB 3.76Å; Y155-A223 HydrophobicContact CE1-CB 4.39Å; Y155-A223 HydrophobicContact CG-CB 4.2Å; I180-A223 HydrophobicContact CB-CB 4.22Å; I180-A223 HydrophobicContact CD1-CB 3.89Å; I180-A223 HydrophobicContact CG2-CB 3.81Å; L182-A223 HydrophobicContact CD2-CB 4.43Å; R219-A223 VanDerWaalsContact O-CB 3.29Å; R219-A223 WeakPolarHBondContact O-CB 3.44Å; R219-A223 PolarHBondContact O-N 3.48Å; L220-A223 PolarHBondContact O-N 3.37Å
224	K	93.6	Very high	97.2	Very high	98 Å²	98	72 Å²	72	43%	0.426	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.5	178.1	-75.7	-174.3	69.8	-165.4	0	114.8	E119 Y155 L220 I222	E119-K224 VanDerWaalsContact OE1-CD 3.27Å; E119-K224 WeakPolarHBondContact OE1-CD 3.47Å; E119-K224 WeakPolarHBondContact OE1-CE 3.37Å; E119-K224 IonicContact OE1-NZ 2.55Å; E119-K224 PolarHBondContact OE1-NZ 3.46Å; E119-K224 IonicContact OE2-NZ 3.67Å; Y155-K224 HydrophobicContact CE1-CG 4.3Å; Y155-K224 HydrophobicContact CE2-CG 4.32Å; L220-K224 HydrophobicContact CD1-CD 4.41Å; L220-K224 HydrophobicContact CD1-CG 4.32Å; L220-K224 HydrophobicContact CG-CD 4.43Å; L220-K224 WeakPolarHBondContact O-CG 3.37Å; L220-K224 PolarHBondContact O-N 2.9Å; L220-K224 VanDerWaalsContact O-N 3.1Å; I222-K224 PolarHBondContact O-N 2.96Å
225	K	88.1	Confident	97	Very high	200 Å²	200	64.4 Å²	64.4	87%	0.87	29%	0.294	S	S	*	.			trans	-78.3	0	175.5	-66.5	174.8	-175.3	177.8	0	110.7	K157 I222	K157-K225 PolarHBondContact NZ-OXT 3.08Å; I222-K225 PolarHBondContact O-N 3.43Å; I222-K225 VanDerWaalsContact O-N 3.13Å

Retrieved 225 of 225 residues in 163.8 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).