A0A2K5ZLM0_MANLE Loading...

NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial

AlphaFold DB , UniProt , Accession A0A2K5ZLM0, Species MANLE (Mandrillus leucophaeus, Drill), Gene NDUFS2, Length 463 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	38.2	Very low	33.6	Very low	232 Å²	232	155.9 Å²	155.9	100%	1.143	87%	0.866	S	S	*	*				0	75.7	0	-69.2	-140.2	-119.3	0	0	109.4
2	A	39	Very low	33.1	Very low	106 Å²	106	148.4 Å²	148.4	88%	0.876	85%	0.85	S	S	*	*			cis	66.9	13	31	0	0	0	0	0	116.4
3	A	34.1	Very low	32.8	Very low	74 Å²	74	148 Å²	148	61%	0.612	85%	0.852	S	S	*	*			trans	-140.1	6.2	179.9	0	0	0	0	0	117
4	L	33.9	Very low	32.6	Very low	175 Å²	175	143.1 Å²	143.1	92%	0.916	84%	0.838	S	S	*	*	S	Bend	trans	-130.2	6	179.8	-94.8	155.3	0	0	0	115.5
5	R	38.4	Very low	32.5	Very low	256 Å²	256	140.9 Å²	140.9	97%	0.966	84%	0.843	S	S	*	*	S	Bend	trans	-124.8	13.4	173.9	-82.6	-173.1	178.8	173.3	0	114.5
6	A	32.2	Very low	32.5	Very low	83 Å²	83	142.9 Å²	142.9	69%	0.686	84%	0.841	S	S	*	*	S	Bend	trans	-133.9	26.2	-171.4	0	0	0	0	0	115.6
7	L	30.3	Very low	32.9	Very low	162 Å²	162	142.5 Å²	142.5	85%	0.848	84%	0.839	S	S	*	*	S	Bend	trans	-125.6	18.1	178	-97.3	172.7	0	0	0	116.5
8	C	30.3	Very low	32.7	Very low	139 Å²	139	142.7 Å²	142.7	94%	0.939	84%	0.835	S	S	*	*	S	Bend	trans	-135	26.7	167	-85.3	0	0	0	0	113.6
9	G	36.7	Very low	32.7	Very low	69 Å²	69	146.2 Å²	146.2	71%	0.711	83%	0.833	S	S	*	*			trans	-107.2	86.1	163.4	0	0	0	0	0	109.2
10	L	29.2	Very low	32.8	Very low	168 Å²	168	146.1 Å²	146.1	88%	0.88	84%	0.838	S	S	*	*			trans	177.8	122	149.1	-96.4	158.7	0	0	0	110
11	R	27.7	Very low	33.2	Very low	251 Å²	251	143 Å²	143	95%	0.947	84%	0.838	S	S	*	*			trans	82.4	114.9	178.3	-55.1	-179.8	173.1	-174.5	-2.3	114.3
12	G	27.4	Very low	33.1	Very low	66 Å²	66	134.9 Å²	134.9	68%	0.68	81%	0.808	S	S	*	*			cis	166.3	146.8	2.9	0	0	0	0	0	109.9
13	V	29.5	Very low	33	Very low	143 Å²	143	132.7 Å²	132.7	87%	0.867	80%	0.795	S	S	*	*			trans	62.4	105.4	148.4	-167.3	0	0	0	0	117.7
14	A	29.7	Very low	33.1	Very low	80 Å²	80	135.6 Å²	135.6	66%	0.661	81%	0.805	S	S	*	*			trans	30.4	102.8	141.2	0	0	0	0	0	117.6	Q16	A14-Q16 PolarHBondContact O-N 2.91Å
15	A	31	Very low	33.4	Very low	110 Å²	110	138.7 Å²	138.7	91%	0.909	81%	0.805	S	S	*	*			trans	-70	84.2	159.2	0	0	0	0	0	109.2	V17	A15-V17 PolarHBondContact O-N 3.5Å
16	Q	32.8	Very low	33.4	Very low	173 Å²	173	133 Å²	133	81%	0.808	79%	0.792	S	S	*	*			trans	-63.3	123.8	165.1	-90	177.8	-28.1	0	0	109.4	A14 L18	A14-Q16 PolarHBondContact O-N 2.91Å; Q16-L18 PolarHBondContact O-N 3.09Å
17	V	38	Very low	33.6	Very low	135 Å²	135	134.4 Å²	134.4	82%	0.818	80%	0.795	S	S	*	*			trans	-13.5	105.5	154.2	-177.8	0	0	0	0	113.4	A15	A15-V17 PolarHBondContact O-N 3.5Å
18	L	30.3	Very low	34.5	Very low	146 Å²	146	134.5 Å²	134.5	76%	0.764	79%	0.794	S	S	*	*			trans	-83.8	113.2	164.2	-76.7	165.6	0	0	0	108.3	Q16 A22	Q16-L18 PolarHBondContact O-N 3.09Å; L18-A22 HydrophobicContact CD2-CB 3.84Å
19	R	33	Very low	35.3	Very low	210 Å²	210	135.6 Å²	135.6	79%	0.792	79%	0.786	S	S	*	*			trans	-53.9	147.6	169.9	-71.6	177.9	173.8	-176.3	-2.5	110.9	G21 A22	R19-G21 PolarHBondContact O-N 2.92Å; R19-G21 VanDerWaalsContact O-N 3.08Å; R19-A22 PolarHBondContact O-N 2.92Å
20	P	35.1	Very low	35.7	Very low	143 Å²	143	137.8 Å²	137.8	93%	0.929	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	112.8	171.8	29	-30.6	0	0	0	107.8
21	G	40.2	Very low	36.6	Very low	82 Å²	82	133.8 Å²	133.8	85%	0.845	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	139.2	-11.1	-170.1	0	0	0	0	0	113.8	R19 G23	R19-G21 PolarHBondContact O-N 2.92Å; R19-G21 VanDerWaalsContact O-N 3.08Å; G21-G23 PolarHBondContact O-N 3.1Å
22	A	36.4	Very low	37.7	Very low	62 Å²	62	134 Å²	134	51%	0.512	77%	0.774	S	S	.	*			trans	-91.4	75.2	172.8	0	0	0	0	0	111.1	L18 R19	L18-A22 HydrophobicContact CD2-CB 3.84Å; R19-A22 PolarHBondContact O-N 2.92Å
23	G	37.3	Very low	38.9	Very low	59 Å²	59	134.3 Å²	134.3	61%	0.608	78%	0.778	S	S	*	*			trans	-58.7	149.5	155.4	0	0	0	0	0	109.3	G21 R25	G21-G23 PolarHBondContact O-N 3.1Å; G23-R25 PolarHBondContact O-N 3.22Å
24	V	36.3	Very low	40.1	Very low	135 Å²	135	132.1 Å²	132.1	82%	0.818	77%	0.765	S	S	*	*			trans	-47.9	106.7	166.8	174.6	0	0	0	0	107.3	L26	V24-L26 PolarHBondContact O-N 3.24Å
25	R	39.2	Very low	41.7	Very low	241 Å²	241	140.5 Å²	140.5	91%	0.909	78%	0.779	S	S	*	*			trans	-70.4	93	169.7	-81.9	-173.5	-177.1	-172.3	0.7	106.2	G23	G23-R25 PolarHBondContact O-N 3.22Å
26	L	39.3	Very low	43.7	Very low	135 Å²	135	142.2 Å²	142.2	71%	0.707	77%	0.768	S	S	*	*			trans	-51.9	135.7	156.4	-70	170.4	0	0	0	107.1	V24 I28	V24-L26 PolarHBondContact O-N 3.24Å; L26-I28 PolarHBondContact O-N 3.19Å
27	P	37	Very low	46.1	Very low	114 Å²	114	141.3 Å²	141.3	74%	0.74	76%	0.758	S	S	*	*			trans	-67.1	100.8	178.3	28	-31.3	0	0	0	107.8	Q29	P27-Q29 PolarHBondContact O-N 2.87Å
28	I	48.8	Very low	48.3	Very low	163 Å²	163	141.1 Å²	141.1	84%	0.836	75%	0.748	S	S	*	*			trans	-78.9	70	164.8	-51.6	174.1	0	0	0	106.5	L26	L26-I28 PolarHBondContact O-N 3.19Å
29	Q	46.5	Very low	50.9	Low	162 Å²	162	137.6 Å²	137.6	76%	0.757	73%	0.734	S	S	*	*			trans	-78.4	129.4	151	-81.8	-173.8	-17.5	0	0	106.5	P27 S31	P27-Q29 PolarHBondContact O-N 2.87Å; Q29-S31 PolarHBondContact O-N 3.32Å
30	P	45	Very low	53.4	Low	115 Å²	115	131.6 Å²	131.6	75%	0.747	72%	0.717	S	S	*	*			trans	-71.8	90.7	164	29.1	-28.7	0	0	0	106.9	R32	P30-R32 VanDerWaalsContact C-N 3.3Å; P30-R32 PolarHBondContact O-N 3.25Å
31	S	48.5	Very low	55.8	Low	85 Å²	85	129.8 Å²	129.8	59%	0.594	70%	0.704	S	S	*	*			trans	-62.9	97.9	165.2	56.3	0	0	0	0	107.4	Q29 G33	Q29-S31 PolarHBondContact O-N 3.32Å; S31-G33 PolarHBondContact O-N 2.82Å
32	R	50.5	Low	57.9	Low	254 Å²	254	132.7 Å²	132.7	96%	0.958	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	98	171	-76	179.2	170.1	-179.6	-3.3	108.4	P30	P30-R32 VanDerWaalsContact C-N 3.3Å; P30-R32 PolarHBondContact O-N 3.25Å
33	G	52.5	Low	60.2	Low	74 Å²	74	134.8 Å²	134.8	76%	0.763	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	158.1	-20	175.7	0	0	0	0	0	117	S31	S31-G33 PolarHBondContact O-N 2.82Å
34	V	54.7	Low	62.5	Low	96 Å²	96	134.9 Å²	134.9	58%	0.582	69%	0.685	S	S	*	*			trans	-102.3	104.8	179.4	-173.3	0	0	0	0	109.2	Q36	V34-Q36 HydrophobicContact CG1-CB 3.98Å; V34-Q36 PolarHBondContact O-N 3.04Å
35	R	62.5	Low	64.8	Low	256 Å²	256	135 Å²	135	97%	0.966	68%	0.676	S	S	*	*			trans	-83.6	6.6	176.4	-74.1	-178.4	175.8	176.7	-1.5	113.4
36	Q	74.8	Confident	67	Low	146 Å²	146	128.8 Å²	128.8	68%	0.682	66%	0.658	S	S	*	*	S	Bend	trans	-84.8	125.6	-179.9	-168	170.9	4.8	0	0	109.4	V34 Q38	V34-Q36 HydrophobicContact CG1-CB 3.98Å; V34-Q36 PolarHBondContact O-N 3.04Å; Q36-Q38 PolarHBondContact O-N 3.09Å
37	W	82.8	Confident	69.2	Low	155 Å²	155	128.1 Å²	128.1	59%	0.587	65%	0.649	S	S	*	*			trans	-59.3	134.9	178.8	179.8	87.3	0	0	0	110.7	P39 W43	W37-P39 HydrophobicContact CH2-CB 4.46Å; W37-P39 HydrophobicContact CH2-CG 4.21Å; W37-P39 HydrophobicContact CZ3-CG 4.08Å; W37-W43 HydrophobicContact CH2-CB 4.46Å; W37-W43 AromaticContact CH2-CD2 3.42Å; W37-W43 HydrophobicContact CH2-CD2 3.42Å; W37-W43 VanDerWaalsContact CH2-CD2 3.42Å; W37-W43 AromaticContact CH2-CE2 3.65Å; W37-W43 AromaticContact CH2-CE3 3.6Å; W37-W43 HydrophobicContact CH2-CE3 3.6Å; W37-W43 AromaticContact CH2-CG 3.83Å; W37-W43 HydrophobicContact CH2-CG 3.83Å; W37-W43 HydrophobicContact CH2-CH2 4.19Å; W37-W43 HydrophobicContact CH2-CZ2 4.04Å; W37-W43 AromaticContact CH2-CZ3 3.99Å; W37-W43 HydrophobicContact CH2-CZ3 3.99Å; W37-W43 HydrophobicContact CZ2-CD2 4.11Å; W37-W43 AromaticContact CZ2-CE3 3.95Å; W37-W43 HydrophobicContact CZ2-CE3 3.95Å; W37-W43 HydrophobicContact CZ2-CG 4.43Å; W37-W43 HydrophobicContact CZ2-CZ3 4.42Å; W37-W43 HydrophobicContact CZ3-CD2 4.44Å; W37-W43 HydrophobicContact CZ3-CZ2 4.39Å
38	Q	83.9	Confident	71.4	Confident	131 Å²	131	125.4 Å²	125.4	61%	0.612	64%	0.642	S	S	*	*			trans	-118	142.6	175.6	-68.2	-67	-33.7	0	0	108.7	Q36 D40	Q36-Q38 PolarHBondContact O-N 3.09Å; Q38-D40 PolarHBondContact O-N 3.31Å
39	P	84.2	Confident	73.1	Confident	71 Å²	71	119.9 Å²	119.9	46%	0.461	63%	0.625	S	S	.	*			trans	-51.1	128.5	170.6	-32.4	39.5	0	0	0	113	W37 W43	W37-P39 HydrophobicContact CH2-CB 4.46Å; W37-P39 HydrophobicContact CH2-CG 4.21Å; W37-P39 HydrophobicContact CZ3-CG 4.08Å; P39-W43 HydrophobicContact CB-CB 4.12Å; P39-W43 VanDerWaalsContact CB-CD1 3.46Å; P39-W43 HydrophobicContact CB-CG 3.93Å; P39-W43 HydrophobicContact CG-CG 4.47Å
40	D	85.8	Confident	74.9	Confident	84 Å²	84	114.2 Å²	114.2	45%	0.449	61%	0.606	S	S	.	*			trans	-84.8	175.6	166.9	53.3	12.2	0	0	0	111.2	Q38 E42 W43 A44	Q38-D40 PolarHBondContact O-N 3.31Å; D40-E42 PolarHBondContact O-N 3.03Å; D40-W43 WeakPolarHBondContact O-CB 3.49Å; D40-W43 PolarHBondContact O-N 3.17Å; D40-W43 WeakPolarHBondContact OD1-CB 3.49Å; D40-W43 PolarHBondContact OD1-N 3.48Å; D40-A44 PolarHBondContact O-N 3.49Å
41	V	85.4	Confident	76.9	Confident	106 Å²	106	110.8 Å²	110.8	64%	0.642	58%	0.583	S	S	*	*	H	α-helix	trans	-62.1	-33.8	-179.6	177.8	0	0	0	0	111.1	A44 Q45	V41-A44 PolarHBondContact O-N 2.84Å; V41-Q45 HydrophobicContact CG1-CG 4.43Å; V41-Q45 WeakPolarHBondContact O-CG 3.22Å; V41-Q45 PolarHBondContact O-N 3.2Å
42	E	84.8	Confident	78.7	Confident	142 Å²	142	110.9 Å²	110.9	66%	0.664	58%	0.575	S	S	*	*	H	α-helix	trans	-64.7	-44.9	176	-64.4	-174.8	-177.3	0	0	111.2	D40 A44 Q45 Q46	D40-E42 PolarHBondContact O-N 3.03Å; E42-A44 PolarHBondContact O-N 2.96Å; E42-Q45 PolarHBondContact O-N 3.28Å; E42-Q46 WeakPolarHBondContact O-CG 3.38Å; E42-Q46 PolarHBondContact O-N 3.19Å
43	W	84.9	Confident	80.4	Confident	107 Å²	107	108 Å²	108	41%	0.405	57%	0.566	S	S	.	*	H	α-helix	trans	-59.8	-43.5	172.5	-174.3	-85.3	0	0	0	112.3	W37 P39 D40 Q45 Q46 F47	W37-W43 HydrophobicContact CH2-CB 4.46Å; W37-W43 AromaticContact CH2-CD2 3.42Å; W37-W43 HydrophobicContact CH2-CD2 3.42Å; W37-W43 VanDerWaalsContact CH2-CD2 3.42Å; W37-W43 AromaticContact CH2-CE2 3.65Å; W37-W43 AromaticContact CH2-CE3 3.6Å; W37-W43 HydrophobicContact CH2-CE3 3.6Å; W37-W43 AromaticContact CH2-CG 3.83Å; W37-W43 HydrophobicContact CH2-CG 3.83Å; W37-W43 HydrophobicContact CH2-CH2 4.19Å; W37-W43 HydrophobicContact CH2-CZ2 4.04Å; W37-W43 AromaticContact CH2-CZ3 3.99Å; W37-W43 HydrophobicContact CH2-CZ3 3.99Å; W37-W43 HydrophobicContact CZ2-CD2 4.11Å; W37-W43 AromaticContact CZ2-CE3 3.95Å; W37-W43 HydrophobicContact CZ2-CE3 3.95Å; W37-W43 HydrophobicContact CZ2-CG 4.43Å; W37-W43 HydrophobicContact CZ2-CZ3 4.42Å; W37-W43 HydrophobicContact CZ3-CD2 4.44Å; W37-W43 HydrophobicContact CZ3-CZ2 4.39Å; P39-W43 HydrophobicContact CB-CB 4.12Å; P39-W43 VanDerWaalsContact CB-CD1 3.46Å; P39-W43 HydrophobicContact CB-CG 3.93Å; P39-W43 HydrophobicContact CG-CG 4.47Å; D40-W43 WeakPolarHBondContact O-CB 3.49Å; D40-W43 PolarHBondContact O-N 3.17Å; D40-W43 WeakPolarHBondContact OD1-CB 3.49Å; D40-W43 PolarHBondContact OD1-N 3.48Å; W43-Q45 PolarHBondContact O-N 3.13Å; W43-Q46 WeakPolarHBondContact O-CB 3.4Å; W43-Q46 PolarHBondContact O-N 3.14Å; W43-F47 AromaticContact CD1-CE2 3.79Å; W43-F47 HydrophobicContact CD2-CE2 4.44Å; W43-F47 AromaticContact CE2-CE2 3.86Å; W43-F47 HydrophobicContact CG-CE2 4.46Å; W43-F47 HydrophobicContact CZ2-CE2 4.39Å; W43-F47 AromaticContact NE1-CE2 3.43Å; W43-F47 VanDerWaalsContact O-CD2 3.26Å; W43-F47 WeakPolarHBondContact O-CD2 3.36Å
44	A	85.8	Confident	82	Confident	60 Å²	60	109.6 Å²	109.6	50%	0.496	56%	0.562	S	S	.	*	H	α-helix	trans	-66.9	-35.9	-179.5	0	0	0	0	0	113.3	D40 V41 E42 Q46 F47 G48	D40-A44 PolarHBondContact O-N 3.49Å; V41-A44 PolarHBondContact O-N 2.84Å; E42-A44 PolarHBondContact O-N 2.96Å; A44-Q46 VanDerWaalsContact C-N 3.28Å; A44-Q46 PolarHBondContact O-N 2.83Å; A44-F47 PolarHBondContact O-N 2.83Å; A44-G48 PolarHBondContact O-N 3.22Å
45	Q	84.8	Confident	83.6	Confident	137 Å²	137	107.6 Å²	107.6	64%	0.64	55%	0.553	S	S	*	*	H	α-helix	trans	-67.3	-27.9	178.6	-75.9	176.7	4.9	0	0	113	V41 E42 W43 F47 G48	V41-Q45 HydrophobicContact CG1-CG 4.43Å; V41-Q45 WeakPolarHBondContact O-CG 3.22Å; V41-Q45 PolarHBondContact O-N 3.2Å; E42-Q45 PolarHBondContact O-N 3.28Å; W43-Q45 PolarHBondContact O-N 3.13Å; Q45-F47 PolarHBondContact O-N 3.37Å; Q45-G48 PolarHBondContact O-N 3.01Å; Q45-G48 VanDerWaalsContact O-N 3.11Å
46	Q	85.6	Confident	84.6	Confident	112 Å²	112	105.5 Å²	105.5	52%	0.523	55%	0.55	S	S	.	*	H	α-helix	trans	-61.3	-26.5	174.3	-66.8	171.2	10.6	0	0	112.6	E42 W43 A44	E42-Q46 WeakPolarHBondContact O-CG 3.38Å; E42-Q46 PolarHBondContact O-N 3.19Å; W43-Q46 WeakPolarHBondContact O-CB 3.4Å; W43-Q46 PolarHBondContact O-N 3.14Å; A44-Q46 VanDerWaalsContact C-N 3.28Å; A44-Q46 PolarHBondContact O-N 2.83Å
47	F	85.3	Confident	85	Confident	121 Å²	121	106.1 Å²	106.1	53%	0.531	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.6	-3.1	177	-62.4	-85.3	0	0	0	114	W43 A44 Q45 M52	W43-F47 AromaticContact CD1-CE2 3.79Å; W43-F47 HydrophobicContact CD2-CE2 4.44Å; W43-F47 AromaticContact CE2-CE2 3.86Å; W43-F47 HydrophobicContact CG-CE2 4.46Å; W43-F47 HydrophobicContact CZ2-CE2 4.39Å; W43-F47 AromaticContact NE1-CE2 3.43Å; W43-F47 VanDerWaalsContact O-CD2 3.26Å; W43-F47 WeakPolarHBondContact O-CD2 3.36Å; A44-F47 PolarHBondContact O-N 2.83Å; Q45-F47 PolarHBondContact O-N 3.37Å; F47-M52 HydrophobicContact CD1-CE 3.64Å; F47-M52 HydrophobicContact CD1-SD 3.7Å; F47-M52 HydrophobicContact CE1-CE 3.31Å; F47-M52 HydrophobicContact CE1-SD 3.94Å; F47-M52 HydrophobicContact CG-CE 4.44Å; F47-M52 HydrophobicContact CZ-CE 3.85Å
48	G	81.6	Confident	85	Confident	56 Å²	56	99.7 Å²	99.7	58%	0.577	53%	0.531	S	S	*	.	S	Bend	trans	-97	-0.7	-175.1	0	0	0	0	0	115.2	A44 Q45	A44-G48 PolarHBondContact O-N 3.22Å; Q45-G48 PolarHBondContact O-N 3.01Å; Q45-G48 VanDerWaalsContact O-N 3.11Å
49	G	85.2	Confident	84.9	Confident	47 Å²	47	97.2 Å²	97.2	49%	0.485	53%	0.533	S	S	.	.	S	Bend	trans	-76.8	170.2	178.6	0	0	0	0	0	113.4	V51	G49-V51 PolarHBondContact O-N 2.84Å
50	A	84.3	Confident	85.1	Confident	43 Å²	43	100.4 Å²	100.4	36%	0.355	54%	0.542	S	S	.	.	S	Bend	trans	-63.2	-29.1	173.6	0	0	0	0	0	112.8	W61	A50-W61 HydrophobicContact CB-CB 3.88Å; A50-W61 WeakPolarHBondContact CB-O 3.39Å
51	V	87.6	Confident	85.2	Confident	44 Å²	44	103 Å²	103	27%	0.267	55%	0.546	S	S	.	.	S	Bend	trans	-138.8	153	177.1	-73.3	0	0	0	0	110.6	G49 W61	G49-V51 PolarHBondContact O-N 2.84Å; V51-W61 HydrophobicContact CG1-CE3 3.44Å; V51-W61 VanDerWaalsContact CG1-CE3 3.44Å; V51-W61 HydrophobicContact CG1-CZ3 3.58Å
52	M	85.4	Confident	85.3	Confident	87 Å²	87	106.8 Å²	106.8	43%	0.429	55%	0.553	S	S	.	*	S	Bend	trans	-70.5	-31.7	179.8	-168.2	65.9	-161.3	0	0	113.4	F47	F47-M52 HydrophobicContact CD1-CE 3.64Å; F47-M52 HydrophobicContact CD1-SD 3.7Å; F47-M52 HydrophobicContact CE1-CE 3.31Å; F47-M52 HydrophobicContact CE1-SD 3.94Å; F47-M52 HydrophobicContact CG-CE 4.44Å; F47-M52 HydrophobicContact CZ-CE 3.85Å
53	Y	87.4	Confident	85.5	Confident	194 Å²	194	103.7 Å²	103.7	76%	0.761	55%	0.546	S	S	*	.	S	Bend	trans	-129.1	94.7	-179.3	-60.4	-73.1	0	0	0	110.7	S55	Y53-S55 PolarHBondContact O-N 2.85Å
54	P	84.4	Confident	85.6	Confident	106 Å²	106	102.9 Å²	102.9	69%	0.688	55%	0.554	S	S	*	*			trans	-65.9	124.8	178.5	-21.5	33.6	0	0	0	112.1
55	S	88.6	Confident	85.9	Confident	55 Å²	55	102.1 Å²	102.1	39%	0.385	54%	0.544	S	S	.	.			trans	-110.1	169.4	172.6	70.2	0	0	0	0	110.1	Y53 E57 T58 A59	Y53-S55 PolarHBondContact O-N 2.85Å; S55-E57 PolarHBondContact O-N 3.26Å; S55-E57 VanDerWaalsContact O-N 3.13Å; S55-E57 PolarHBondContact OG-N 2.91Å; S55-T58 PolarHBondContact N-OG1 3.1Å; S55-T58 PolarHBondContact O-N 3.1Å; S55-T58 VanDerWaalsContact O-N 3.13Å; S55-T58 PolarHBondContact O-OG1 3.22Å; S55-T58 PolarHBondContact OG-N 3.35Å; S55-T58 PolarHBondContact OG-OG1 3.24Å; S55-A59 PolarHBondContact O-N 2.85Å; S55-A59 VanDerWaalsContact O-N 3.11Å
56	K	84.7	Confident	86	Confident	211 Å²	211	108.3 Å²	108.3	92%	0.917	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	-29.5	174.3	-70.9	-175.3	178.8	179.5	0	112.5
57	E	82.8	Confident	86.4	Confident	159 Å²	159	108.2 Å²	108.2	74%	0.743	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-37.7	178.6	-65.2	171.8	-175.6	0	0	111.9	S55 H60	S55-E57 PolarHBondContact O-N 3.26Å; S55-E57 VanDerWaalsContact O-N 3.13Å; S55-E57 PolarHBondContact OG-N 2.91Å; E57-H60 PolarHBondContact O-CE1 3.27Å; E57-H60 PolarHBondContact O-ND1 3.46Å
58	T	82	Confident	86.6	Confident	20 Å²	20	108.8 Å²	108.8	12%	0.123	57%	0.573	C	S	.	*	G	3₁₀ helix	trans	-92.1	-0.7	-174.7	52.5	0	0	0	0	114.2	S55 H60 W61	S55-T58 PolarHBondContact N-OG1 3.1Å; S55-T58 PolarHBondContact O-N 3.1Å; S55-T58 VanDerWaalsContact O-N 3.13Å; S55-T58 PolarHBondContact O-OG1 3.22Å; S55-T58 PolarHBondContact OG-N 3.35Å; S55-T58 PolarHBondContact OG-OG1 3.24Å; T58-H60 PolarHBondContact O-N 3.42Å; T58-H60 VanDerWaalsContact O-N 3.09Å; T58-W61 HydrophobicContact CG2-CD2 4.23Å; T58-W61 HydrophobicContact CG2-CE3 3.77Å; T58-W61 HydrophobicContact CG2-CH2 3.76Å; T58-W61 HydrophobicContact CG2-CZ2 4.21Å; T58-W61 HydrophobicContact CG2-CZ3 3.53Å; T58-W61 WeakPolarHBondContact O-CB 3.19Å; T58-W61 PolarHBondContact O-N 3.03Å; T58-W61 VanDerWaalsContact O-N 3.08Å
59	A	83.4	Confident	86.8	Confident	80 Å²	80	110.4 Å²	110.4	66%	0.661	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-60.5	-20.3	-179.8	0	0	0	0	0	114.7	S55	S55-A59 PolarHBondContact O-N 2.85Å; S55-A59 VanDerWaalsContact O-N 3.11Å
60	H	87.3	Confident	87	Confident	138 Å²	138	114 Å²	114	64%	0.639	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-87.6	-8.8	179.2	67.3	-79.3	0	0	0	113.6	E57 T58 K62	E57-H60 PolarHBondContact O-CE1 3.27Å; E57-H60 PolarHBondContact O-ND1 3.46Å; T58-H60 PolarHBondContact O-N 3.42Å; T58-H60 VanDerWaalsContact O-N 3.09Å; H60-K62 PolarHBondContact O-N 3.28Å
61	W	88	Confident	87.1	Confident	139 Å²	139	116.7 Å²	116.7	53%	0.527	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-78.7	119.7	179.8	-64.5	-9.6	0	0	0	110.8	A50 V51 T58	A50-W61 HydrophobicContact CB-CB 3.88Å; A50-W61 WeakPolarHBondContact CB-O 3.39Å; V51-W61 HydrophobicContact CG1-CE3 3.44Å; V51-W61 VanDerWaalsContact CG1-CE3 3.44Å; V51-W61 HydrophobicContact CG1-CZ3 3.58Å; T58-W61 HydrophobicContact CG2-CD2 4.23Å; T58-W61 HydrophobicContact CG2-CE3 3.77Å; T58-W61 HydrophobicContact CG2-CH2 3.76Å; T58-W61 HydrophobicContact CG2-CZ2 4.21Å; T58-W61 HydrophobicContact CG2-CZ3 3.53Å; T58-W61 WeakPolarHBondContact O-CB 3.19Å; T58-W61 PolarHBondContact O-N 3.03Å; T58-W61 VanDerWaalsContact O-N 3.08Å
62	K	87.8	Confident	86.9	Confident	185 Å²	185	119.6 Å²	119.6	80%	0.804	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-94.9	146.7	173.5	-64.4	178.6	-177.7	177.4	0	108.8	H60	H60-K62 PolarHBondContact O-N 3.28Å
63	P	88.3	Confident	86.7	Confident	77 Å²	77	124.4 Å²	124.4	50%	0.5	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-58.7	146.1	171.9	26.5	-33.5	0	0	0	109.1
64	P	88.1	Confident	85.9	Confident	90 Å²	90	121.5 Å²	121.5	58%	0.584	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-60.1	152.5	179.3	26.1	-33.9	0	0	0	110.5
65	P	90.6	Very high	85.1	Confident	44 Å²	44	122.3 Å²	122.3	29%	0.286	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-53.5	142.1	168.2	-22.9	33.7	0	0	0	110.8	N67 D68	P65-N67 VanDerWaalsContact CB-OD1 3.23Å; P65-N67 WeakPolarHBondContact CB-OD1 3.49Å; P65-N67 PolarHBondContact O-N 2.72Å; P65-D68 PolarHBondContact O-N 3.41Å
66	W	88.5	Confident	83.8	Confident	267 Å²	267	127.7 Å²	127.7	100%	1.011	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-19.8	-177.8	-61.5	102.4	0	0	0	114.9
67	N	92.3	Very high	82.9	Confident	109 Å²	109	123.8 Å²	123.8	58%	0.583	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	4.5	178	62.7	-17.2	0	0	0	112.9	P65 V69	P65-N67 VanDerWaalsContact CB-OD1 3.23Å; P65-N67 WeakPolarHBondContact CB-OD1 3.49Å; P65-N67 PolarHBondContact O-N 2.72Å; N67-V69 WeakPolarHBondContact O-CG2 3.37Å; N67-V69 PolarHBondContact O-N 3.42Å; N67-V69 PolarHBondContact OD1-N 3.27Å; N67-V69 PolarHBondContact OD1-O 2.78Å
68	D	89.3	Confident	82.3	Confident	134 Å²	134	125.6 Å²	125.6	72%	0.717	65%	0.653	S	S	*	*	S	Bend	trans	52.2	18.5	-174.9	-60.5	-42	0	0	0	114.6	P65	P65-D68 PolarHBondContact O-N 3.41Å
69	V	87.7	Confident	82.4	Confident	89 Å²	89	127.6 Å²	127.6	54%	0.539	66%	0.663	S	S	.	*			trans	-112.3	109.6	177.3	175.9	0	0	0	0	107.5	N67	N67-V69 WeakPolarHBondContact O-CG2 3.37Å; N67-V69 PolarHBondContact O-N 3.42Å; N67-V69 PolarHBondContact OD1-N 3.27Å; N67-V69 PolarHBondContact OD1-O 2.78Å
70	D	88.6	Confident	82.5	Confident	122 Å²	122	129 Å²	129	65%	0.652	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-56.8	141.4	167.6	-74.4	-33.3	0	0	0	109.4	P72	D70-P72 VanDerWaalsContact O-N 3.11Å
71	P	85.7	Confident	82.7	Confident	100 Å²	100	127.2 Å²	127.2	65%	0.649	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-54	125.7	172.9	24	-32.6	0	0	0	107.8	K73	P71-K73 PolarHBondContact O-N 3.29Å
72	P	83.3	Confident	82.9	Confident	105 Å²	105	123 Å²	123	68%	0.682	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-55.6	122.6	-177.3	22.5	-32.3	0	0	0	107.6	D70 D74	D70-P72 VanDerWaalsContact O-N 3.11Å; P72-D74 PolarHBondContact O-N 3.08Å; P72-D74 VanDerWaalsContact O-N 3.08Å
73	K	81.4	Confident	83.1	Confident	189 Å²	189	118.4 Å²	118.4	82%	0.822	63%	0.627	S	S	*	*			trans	-70.3	107.3	165.4	-71.2	180	-176.3	172.1	0	104.8	P71 T75	P71-K73 PolarHBondContact O-N 3.29Å; K73-T75 PolarHBondContact O-N 2.99Å
74	D	70.4	Confident	83	Confident	133 Å²	133	115.8 Å²	115.8	71%	0.711	61%	0.608	S	S	*	*			trans	-66.7	73.5	170.2	-66.8	-23.3	0	0	0	108.5	P72 M76	P72-D74 PolarHBondContact O-N 3.08Å; P72-D74 VanDerWaalsContact O-N 3.08Å; D74-M76 PolarHBondContact O-N 2.95Å
75	T	68.6	Low	82.9	Confident	122 Å²	122	112.7 Å²	112.7	75%	0.748	59%	0.593	S	S	*	*			trans	-68.7	86.1	161.9	40.8	0	0	0	0	106	K73 V77	K73-T75 PolarHBondContact O-N 2.99Å; T75-V77 PolarHBondContact O-N 3.11Å
76	M	62	Low	82.7	Confident	168 Å²	168	113.2 Å²	113.2	83%	0.828	60%	0.597	S	S	*	*			trans	-55.5	115.3	173.5	-65.9	-172.8	-155.4	0	0	107.5	D74 K78	D74-M76 PolarHBondContact O-N 2.95Å; M76-K78 PolarHBondContact O-N 3.07Å
77	V	65.5	Low	82.4	Confident	129 Å²	129	109.9 Å²	109.9	78%	0.782	59%	0.592	S	S	*	*			trans	-59.1	109.5	168.6	178.4	0	0	0	0	105.9	T75 N79	T75-V77 PolarHBondContact O-N 3.11Å; V77-N79 PolarHBondContact O-N 2.94Å
78	K	70.6	Confident	82.1	Confident	197 Å²	197	108.6 Å²	108.6	86%	0.857	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-69.5	117.2	-180	-164.9	176.2	-177.8	-179.1	0	107.3	M76	M76-K78 PolarHBondContact O-N 3.07Å
79	N	82.4	Confident	81.9	Confident	63 Å²	63	107.4 Å²	107.4	34%	0.337	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-56.2	141.7	173.9	-68.2	-15.5	0	0	0	109.5	V77 T81 L101	V77-N79 PolarHBondContact O-N 2.94Å; N79-T81 PolarHBondContact O-N 3.11Å; N79-L101 WeakPolarHBondContact CB-O 3.49Å
80	M	86.9	Confident	81.6	Confident	109 Å²	109	103.5 Å²	103.5	54%	0.537	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.6	119.7	177.4	-179.7	174	73.7	0	0	108.4	L82 L101	M80-L82 HydrophobicContact CE-CD1 4.4Å; M80-L101 HydrophobicContact CE-CB 4.43Å; M80-L101 HydrophobicContact CE-CD1 3.78Å; M80-L101 PolarHBondContact N-O 3.04Å; M80-L101 PolarHBondContact O-N 3.17Å
81	T	91.3	Very high	81.2	Confident	100 Å²	100	97.7 Å²	97.7	61%	0.613	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	110.7	171.9	55.9	0	0	0	0	108.7	N79 M99 E100	N79-T81 PolarHBondContact O-N 3.11Å; T81-M99 CarbonylContact C-O 3.41Å; T81-M99 WeakPolarHBondContact CA-O 3.39Å; T81-E100 HydrophobicContact CG2-CG 4.35Å
82	L	91.8	Very high	80.8	Confident	52 Å²	52	95.2 Å²	95.2	27%	0.272	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.8	176.5	-172.7	140.6	0	0	0	109.6	M80 F84 M99 L101	M80-L82 HydrophobicContact CE-CD1 4.4Å; L82-F84 HydrophobicContact CD2-CB 4.29Å; L82-F84 HydrophobicContact CD2-CD2 4.4Å; L82-M99 HydrophobicContact CD2-CE 3.89Å; L82-M99 PolarHBondContact N-O 2.91Å; L82-M99 PolarHBondContact O-N 3.47Å; L82-L101 HydrophobicContact CB-CD1 3.99Å; L82-L101 HydrophobicContact CD1-CD1 4.26Å
83	N	91.2	Very high	80.7	Confident	87 Å²	87	92.3 Å²	92.3	47%	0.465	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	103.5	174.2	-173.3	20.6	0	0	0	108.7	G85 R96	N83-G85 PolarHBondContact O-N 2.96Å; N83-R96 WeakPolarHBondContact OD1-CG 3.44Å; N83-R96 PolarHBondContact OD1-NE 3.4Å; N83-R96 VanDerWaalsContact OD1-NE 3.1Å
84	F	87.9	Confident	80.9	Confident	22 Å²	22	86 Å²	86	10%	0.096	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	105.1	170.2	-158.6	-97.1	0	0	0	107.8	L82 H88 A90 A91 R96 L97 M99	L82-F84 HydrophobicContact CD2-CB 4.29Å; L82-F84 HydrophobicContact CD2-CD2 4.4Å; F84-H88 HydrophobicContact CD1-CB 4.19Å; F84-H88 HydrophobicContact CE1-CB 3.55Å; F84-H88 AromaticContact CE1-CG 3.49Å; F84-H88 VanDerWaalsContact CE1-CG 3.49Å; F84-H88 AromaticContact CE1-ND1 3.65Å; F84-H88 AromaticContact CE2-CD2 3.63Å; F84-H88 AromaticContact CE2-CE1 3.92Å; F84-H88 AromaticContact CE2-CG 3.84Å; F84-H88 AromaticContact CE2-NE2 3.69Å; F84-H88 HydrophobicContact CZ-CB 3.83Å; F84-H88 AromaticContact CZ-CD2 3.47Å; F84-H88 VanDerWaalsContact CZ-CD2 3.47Å; F84-H88 WeakPolarHBondContact CZ-CD2 3.34Å; F84-H88 AromaticContact CZ-CE1 3.39Å; F84-H88 WeakPolarHBondContact CZ-CE1 3.44Å; F84-H88 AromaticContact CZ-CG 3.18Å; F84-H88 AromaticContact CZ-ND1 3.13Å; F84-H88 WeakPolarHBondContact CZ-ND1 3.49Å; F84-H88 AromaticContact CZ-NE2 3.61Å; F84-A90 HydrophobicContact CZ-CB 4.28Å; F84-A91 HydrophobicContact CE1-CB 4.3Å; F84-R96 WeakPolarHBondContact O-CA 3.39Å; F84-L97 HydrophobicContact CB-CB 3.86Å; F84-L97 WeakPolarHBondContact CB-O 3.34Å; F84-L97 HydrophobicContact CD1-CD1 4.46Å; F84-L97 PolarHBondContact N-O 2.89Å; F84-L97 PolarHBondContact O-N 2.84Å; F84-M99 HydrophobicContact CB-CE 3.95Å; F84-M99 HydrophobicContact CD2-CE 4.18Å; F84-M99 HydrophobicContact CG-CE 4.34Å
85	G	84.8	Confident	81.9	Confident	26 Å²	26	79.7 Å²	79.7	27%	0.268	44%	0.44	S	S	.	.			trans	-71.1	163.6	-171.7	0	0	0	0	0	113.3	N83 Q87	N83-G85 PolarHBondContact O-N 2.96Å; G85-Q87 PolarHBondContact O-N 3.38Å; G85-Q87 VanDerWaalsContact O-N 3.15Å
86	P	86.3	Confident	83	Confident	55 Å²	55	78.7 Å²	78.7	36%	0.357	42%	0.423	S	S	.	.	S	Bend	trans	-61.1	-21.8	176.7	-20.8	31.5	0	0	0	114.6	H88 V94 L95 R96 L115	P86-H88 PolarHBondContact O-N 3.27Å; P86-V94 HydrophobicContact CB-CG1 3.64Å; P86-L95 WeakPolarHBondContact CA-O 3.37Å; P86-R96 HydrophobicContact CG-CB 4.35Å; P86-L115 HydrophobicContact CB-CD1 4.11Å; P86-L115 HydrophobicContact CG-CD1 3.86Å
87	Q	83.4	Confident	84.5	Confident	196 Å²	196	70.8 Å²	70.8	92%	0.916	38%	0.383	S	S	*	.			trans	-97.7	75.8	180	-168	170.6	9.6	0	0	109.4	G85	G85-Q87 PolarHBondContact O-N 3.38Å; G85-Q87 VanDerWaalsContact O-N 3.15Å
88	H	85.4	Confident	85.8	Confident	83 Å²	83	66.1 Å²	66.1	38%	0.384	36%	0.355	S	S	.	.			trans	-143.3	136.4	173.4	-169.2	-74.6	0	0	0	110.4	F84 P86 A90 A91	F84-H88 HydrophobicContact CD1-CB 4.19Å; F84-H88 HydrophobicContact CE1-CB 3.55Å; F84-H88 AromaticContact CE1-CG 3.49Å; F84-H88 VanDerWaalsContact CE1-CG 3.49Å; F84-H88 AromaticContact CE1-ND1 3.65Å; F84-H88 AromaticContact CE2-CD2 3.63Å; F84-H88 AromaticContact CE2-CE1 3.92Å; F84-H88 AromaticContact CE2-CG 3.84Å; F84-H88 AromaticContact CE2-NE2 3.69Å; F84-H88 HydrophobicContact CZ-CB 3.83Å; F84-H88 AromaticContact CZ-CD2 3.47Å; F84-H88 VanDerWaalsContact CZ-CD2 3.47Å; F84-H88 WeakPolarHBondContact CZ-CD2 3.34Å; F84-H88 AromaticContact CZ-CE1 3.39Å; F84-H88 WeakPolarHBondContact CZ-CE1 3.44Å; F84-H88 AromaticContact CZ-CG 3.18Å; F84-H88 AromaticContact CZ-ND1 3.13Å; F84-H88 WeakPolarHBondContact CZ-ND1 3.49Å; F84-H88 AromaticContact CZ-NE2 3.61Å; P86-H88 PolarHBondContact O-N 3.27Å; H88-A90 WeakPolarHBondContact ND1-CB 3.29Å; H88-A90 PolarHBondContact ND1-N 2.9Å; H88-A90 PolarHBondContact O-N 3.48Å; H88-A91 HydrophobicContact CB-CB 4.41Å; H88-A91 VanDerWaalsContact O-CB 3.27Å; H88-A91 WeakPolarHBondContact O-CB 3.11Å; H88-A91 PolarHBondContact O-N 3.37Å
89	P	84.5	Confident	86.9	Confident	109 Å²	109	56.8 Å²	56.8	71%	0.708	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-54.2	-47.9	-179.2	-27.9	35.2	0	0	0	114	A91 H92	P89-A91 PolarHBondContact O-N 2.99Å; P89-H92 PolarHBondContact O-N 2.87Å; P89-H92 VanDerWaalsContact O-N 3.15Å
90	A	82.1	Confident	87.5	Confident	6 Å²	6	57.1 Å²	57.1	5%	0.05	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-65.9	-4.7	178.3	0	0	0	0	0	115.5	F84 H88 H92 V448	F84-A90 HydrophobicContact CZ-CB 4.28Å; H88-A90 WeakPolarHBondContact ND1-CB 3.29Å; H88-A90 PolarHBondContact ND1-N 2.9Å; H88-A90 PolarHBondContact O-N 3.48Å; A90-H92 VanDerWaalsContact C-N 3.28Å; A90-V448 HydrophobicContact CB-CB 4.41Å; A90-V448 HydrophobicContact CB-CG1 3.69Å; A90-V448 HydrophobicContact CB-CG2 3.92Å
91	A	79.7	Confident	87.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-82.6	-4.7	173.9	0	0	0	0	0	112.6	F84 H88 P89 G93 L95 F458	F84-A91 HydrophobicContact CE1-CB 4.3Å; H88-A91 HydrophobicContact CB-CB 4.41Å; H88-A91 VanDerWaalsContact O-CB 3.27Å; H88-A91 WeakPolarHBondContact O-CB 3.11Å; H88-A91 PolarHBondContact O-N 3.37Å; P89-A91 PolarHBondContact O-N 2.99Å; A91-G93 PolarHBondContact O-N 2.87Å; A91-G93 VanDerWaalsContact O-N 3.08Å; A91-L95 HydrophobicContact CB-CB 4.08Å; A91-F458 WeakPolarHBondContact O-CE2 3.5Å
92	H	77.4	Confident	87.7	Confident	49 Å²	49	49.5 Å²	49.5	23%	0.227	28%	0.276	C	S	.	.	S	Bend	trans	38.8	49.7	-179.8	-73.6	-53.5	0	0	0	114.7	P89 A90 D193	P89-H92 PolarHBondContact O-N 2.87Å; P89-H92 VanDerWaalsContact O-N 3.15Å; A90-H92 VanDerWaalsContact C-N 3.28Å; H92-D193 IonicContact CD2-OD1 2.72Å; H92-D193 IonicContact CD2-OD2 2.7Å; H92-D193 PolarHBondContact CD2-OD2 3.34Å; H92-D193 VanDerWaalsContact CD2-OD2 3.24Å; H92-D193 IonicContact CE1-OD1 3.82Å; H92-D193 PolarHBondContact CE1-OD1 3.44Å; H92-D193 IonicContact CE1-OD2 3.87Å; H92-D193 IonicContact NE2-OD1 3.08Å; H92-D193 PolarHBondContact NE2-OD1 3.21Å; H92-D193 IonicContact NE2-OD2 2.64Å; H92-D193 PolarHBondContact NE2-OD2 3.37Å
93	G	80.9	Confident	87.6	Confident	44 Å²	44	50.1 Å²	50.1	45%	0.454	29%	0.294	S	S	.	.	S	Bend	trans	130.3	-123.1	-172.2	0	0	0	0	0	110	A91	A91-G93 PolarHBondContact O-N 2.87Å; A91-G93 VanDerWaalsContact O-N 3.08Å
94	V	86.5	Confident	87.5	Confident	56 Å²	56	52.8 Å²	52.8	34%	0.339	30%	0.304	S	S	.	.	S	Bend	trans	-134.9	85.1	-167.9	-163.7	0	0	0	0	108.7	P86 L115	P86-V94 HydrophobicContact CB-CG1 3.64Å; V94-L115 HydrophobicContact CB-CB 4.31Å; V94-L115 HydrophobicContact CG1-CB 3.68Å; V94-L115 HydrophobicContact CG1-CD1 3.62Å; V94-L115 HydrophobicContact CG1-CG 4.26Å
95	L	90	Very high	87.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.318	C	S	.	.			trans	-121.5	134.7	176.7	179.4	67.6	0	0	0	110	P86 A91 L97 P111 I113 L432 I451 F458	P86-L95 WeakPolarHBondContact CA-O 3.37Å; A91-L95 HydrophobicContact CB-CB 4.08Å; L95-L97 HydrophobicContact CD1-CD2 4.08Å; L95-L97 HydrophobicContact CD2-CD1 3.86Å; L95-L97 HydrophobicContact CD2-CD2 3.61Å; L95-L97 HydrophobicContact CD2-CG 3.67Å; L95-L97 HydrophobicContact CG-CD2 3.87Å; L95-L97 HydrophobicContact CG-CG 3.92Å; L95-P111 HydrophobicContact CD1-CB 4.21Å; L95-I113 HydrophobicContact CD1-CG2 4.07Å; L95-L432 HydrophobicContact CD1-CD2 4.4Å; L95-I451 HydrophobicContact CD2-CD1 4.4Å; L95-F458 HydrophobicContact CB-CE1 3.82Å; L95-F458 HydrophobicContact CB-CE2 4.24Å; L95-F458 HydrophobicContact CB-CZ 3.56Å; L95-F458 HydrophobicContact CD1-CE1 3.7Å; L95-F458 HydrophobicContact CD1-CZ 4.14Å; L95-F458 HydrophobicContact CD2-CE1 4.35Å; L95-F458 HydrophobicContact CD2-CZ 3.96Å; L95-F458 HydrophobicContact CG-CE1 4.14Å; L95-F458 HydrophobicContact CG-CZ 4.08Å
96	R	93.4	Very high	88.3	Confident	102 Å²	102	54.4 Å²	54.4	39%	0.385	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	116.7	170.3	179.1	-176.3	-180	-168.3	-2	109.2	N83 F84 P86 H112 L115	N83-R96 WeakPolarHBondContact OD1-CG 3.44Å; N83-R96 PolarHBondContact OD1-NE 3.4Å; N83-R96 VanDerWaalsContact OD1-NE 3.1Å; F84-R96 WeakPolarHBondContact O-CA 3.39Å; P86-R96 HydrophobicContact CG-CB 4.35Å; R96-H112 HydrophobicContact CB-CB 4.08Å; R96-H112 HydrophobicContact CG-CB 4.33Å; R96-H112 PolarHBondContact N-O 3.37Å; R96-H112 PolarHBondContact O-N 3.37Å; R96-L115 HydrophobicContact CB-CD1 4.33Å
97	L	91.9	Very high	88.6	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.3	174.8	-58.8	172	0	0	0	109.9	F84 L95 M99 P111 L435 V447 I451	F84-L97 HydrophobicContact CB-CB 3.86Å; F84-L97 WeakPolarHBondContact CB-O 3.34Å; F84-L97 HydrophobicContact CD1-CD1 4.46Å; F84-L97 PolarHBondContact N-O 2.89Å; F84-L97 PolarHBondContact O-N 2.84Å; L95-L97 HydrophobicContact CD1-CD2 4.08Å; L95-L97 HydrophobicContact CD2-CD1 3.86Å; L95-L97 HydrophobicContact CD2-CD2 3.61Å; L95-L97 HydrophobicContact CD2-CG 3.67Å; L95-L97 HydrophobicContact CG-CD2 3.87Å; L95-L97 HydrophobicContact CG-CG 3.92Å; L97-M99 HydrophobicContact CB-CE 4.39Å; L97-M99 HydrophobicContact CB-CG 4.41Å; L97-P111 HydrophobicContact CD2-CB 3.56Å; L97-L435 HydrophobicContact CD2-CD2 3.77Å; L97-V447 HydrophobicContact CD1-CG1 4.35Å; L97-I451 HydrophobicContact CD1-CD1 3.64Å
98	V	94.3	Very high	89.1	Confident	32 Å²	32	53.7 Å²	53.7	19%	0.194	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	110.1	168.1	175.7	0	0	0	0	107.2	D110	V98-D110 HydrophobicContact CB-CB 4.4Å; V98-D110 PolarHBondContact N-O 3.27Å; V98-D110 PolarHBondContact O-N 3.28Å
99	M	93.1	Very high	89.5	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.5	-178.3	-71.2	179.8	-75.2	0	0	110.5	T81 L82 F84 L97 L101 K108 C109 L444 V447	T81-M99 CarbonylContact C-O 3.41Å; T81-M99 WeakPolarHBondContact CA-O 3.39Å; L82-M99 HydrophobicContact CD2-CE 3.89Å; L82-M99 PolarHBondContact N-O 2.91Å; L82-M99 PolarHBondContact O-N 3.47Å; F84-M99 HydrophobicContact CB-CE 3.95Å; F84-M99 HydrophobicContact CD2-CE 4.18Å; F84-M99 HydrophobicContact CG-CE 4.34Å; L97-M99 HydrophobicContact CB-CE 4.39Å; L97-M99 HydrophobicContact CB-CG 4.41Å; M99-L101 HydrophobicContact CB-CD2 4.15Å; M99-L101 HydrophobicContact CB-CG 4.4Å; M99-K108 WeakPolarHBondContact CA-O 3.24Å; M99-C109 HydrophobicContact CG-CB 4.27Å; M99-L444 HydrophobicContact CE-CD1 3.25Å; M99-L444 HydrophobicContact SD-CD1 3.73Å; M99-V447 HydrophobicContact SD-CG1 4.2Å; M99-V447 HydrophobicContact SD-CG2 4.18Å
100	E	93.9	Very high	90	Very high	69 Å²	69	47 Å²	47	32%	0.322	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	113.3	167.3	-61.4	-172.9	173.8	0	0	108.8	T81 R107 K108	T81-E100 HydrophobicContact CG2-CG 4.35Å; E100-R107 WeakPolarHBondContact O-CB 3.32Å; E100-R107 PolarHBondContact O-N 3.44Å; E100-K108 HydrophobicContact CB-CB 4.1Å; E100-K108 HydrophobicContact CG-CB 4.28Å; E100-K108 PolarHBondContact N-O 3.15Å; E100-K108 PolarHBondContact O-N 3.44Å
101	L	93.3	Very high	90.6	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	139	-177	-57.5	179.8	0	0	0	110.7	N79 M80 L82 M99 M105 V106	N79-L101 WeakPolarHBondContact CB-O 3.49Å; M80-L101 HydrophobicContact CE-CB 4.43Å; M80-L101 HydrophobicContact CE-CD1 3.78Å; M80-L101 PolarHBondContact N-O 3.04Å; M80-L101 PolarHBondContact O-N 3.17Å; L82-L101 HydrophobicContact CB-CD1 3.99Å; L82-L101 HydrophobicContact CD1-CD1 4.26Å; M99-L101 HydrophobicContact CB-CD2 4.15Å; M99-L101 HydrophobicContact CB-CG 4.4Å; L101-M105 WeakPolarHBondContact CA-O 3.1Å; L101-V106 HydrophobicContact CD2-CB 4.22Å; L101-V106 HydrophobicContact CD2-CG2 3.61Å
102	S	90.5	Very high	91.2	Very high	45 Å²	45	52.8 Å²	52.8	32%	0.315	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	91	168.7	-170.2	0	0	0	0	107.3	E104 M105	S102-E104 PolarHBondContact O-N 3.37Å; S102-M105 PolarHBondContact N-O 3.23Å; S102-M105 PolarHBondContact O-N 3.1Å
103	G	88.5	Confident	92	Very high	64 Å²	64	53.4 Å²	53.4	66%	0.66	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	-120.2	-164.6	0	0	0	0	0	110.5
104	E	90.6	Very high	92.6	Very high	144 Å²	144	53.1 Å²	53.1	67%	0.673	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-14.7	176.8	-63.2	-177.1	166.4	0	0	113.4	S102 M443 L444	S102-E104 PolarHBondContact O-N 3.37Å; E104-M443 WeakPolarHBondContact O-CA 3.48Å; E104-L444 PolarHBondContact O-N 3.33Å
105	M	93.8	Very high	92.9	Very high	80 Å²	80	55 Å²	55	39%	0.394	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	132.4	-171.7	-57.4	-61.6	-78.8	0	0	111.5	L101 S102 G441 M443	L101-M105 WeakPolarHBondContact CA-O 3.1Å; S102-M105 PolarHBondContact N-O 3.23Å; S102-M105 PolarHBondContact O-N 3.1Å; M105-G441 WeakPolarHBondContact CE-O 3.34Å; M105-M443 HydrophobicContact SD-CG 4.07Å
106	V	94.6	Very high	93	Very high	1 Å²	1	57 Å²	57	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	122.2	177.3	-178.8	0	0	0	0	109.9	L101 C109 G441 H442 V447	L101-V106 HydrophobicContact CD2-CB 4.22Å; L101-V106 HydrophobicContact CD2-CG2 3.61Å; V106-C109 HydrophobicContact CG1-CB 4.34Å; V106-G441 PolarHBondContact O-N 2.95Å; V106-H442 WeakPolarHBondContact CG2-O 3.4Å; V106-H442 PolarHBondContact N-O 2.91Å; V106-V447 HydrophobicContact CG2-CG2 3.71Å
107	R	93.4	Very high	93.1	Very high	157 Å²	157	57.6 Å²	57.6	59%	0.592	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	-40.2	174.1	-72.2	-69.9	-172.9	173.1	-1.1	112.2	E100 K440	E100-R107 WeakPolarHBondContact O-CB 3.32Å; E100-R107 PolarHBondContact O-N 3.44Å; R107-K440 WeakPolarHBondContact O-CG 3.47Å
108	K	94.1	Very high	93.2	Very high	79 Å²	79	64.8 Å²	64.8	34%	0.343	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	139.2	-177.2	-167.2	-176.5	-177.4	-135.6	0	109.4	M99 E100 D110 D436	M99-K108 WeakPolarHBondContact CA-O 3.24Å; E100-K108 HydrophobicContact CB-CB 4.1Å; E100-K108 HydrophobicContact CG-CB 4.28Å; E100-K108 PolarHBondContact N-O 3.15Å; E100-K108 PolarHBondContact O-N 3.44Å; K108-D110 WeakPolarHBondContact CE-OD1 3.44Å; K108-D110 VanDerWaalsContact NZ-CG 3.31Å; K108-D110 IonicContact NZ-OD1 3.83Å; K108-D110 PolarHBondContact NZ-OD1 2.88Å; K108-D110 VanDerWaalsContact NZ-OD1 3.09Å; K108-D110 IonicContact NZ-OD2 3.78Å; K108-D110 PolarHBondContact NZ-OD2 3.47Å; K108-D436 WeakPolarHBondContact CA-OD1 3.28Å
109	C	93.7	Very high	93.2	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	114.9	174.9	-171.7	0	0	0	0	109.4	M99 V106 P111 D436 S439	M99-C109 HydrophobicContact CG-CB 4.27Å; V106-C109 HydrophobicContact CG1-CB 4.34Å; C109-P111 VanDerWaalsContact O-CD 3.28Å; C109-P111 WeakPolarHBondContact O-CD 3.45Å; C109-D436 PolarHBondContact N-OD1 3Å; C109-D436 WeakPolarHBondContact O-CB 2.94Å; C109-S439 WeakPolarHBondContact CB-OG 3.39Å
110	D	94.8	Very high	93.2	Very high	52 Å²	52	64.6 Å²	64.6	28%	0.278	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	103.1	176.7	-67.6	-22.3	0	0	0	109.5	V98 K108 H112	V98-D110 HydrophobicContact CB-CB 4.4Å; V98-D110 PolarHBondContact N-O 3.27Å; V98-D110 PolarHBondContact O-N 3.28Å; K108-D110 WeakPolarHBondContact CE-OD1 3.44Å; K108-D110 VanDerWaalsContact NZ-CG 3.31Å; K108-D110 IonicContact NZ-OD1 3.83Å; K108-D110 PolarHBondContact NZ-OD1 2.88Å; K108-D110 VanDerWaalsContact NZ-OD1 3.09Å; K108-D110 IonicContact NZ-OD2 3.78Å; K108-D110 PolarHBondContact NZ-OD2 3.47Å; D110-H112 PolarHBondContact O-N 2.92Å
111	P	93.8	Very high	93.2	Very high	38 Å²	38	62.3 Å²	62.3	25%	0.247	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	111.6	173.9	29.2	-32.3	0	0	0	111.3	L95 L97 C109 L432 L435	L95-P111 HydrophobicContact CD1-CB 4.21Å; L97-P111 HydrophobicContact CD2-CB 3.56Å; C109-P111 VanDerWaalsContact O-CD 3.28Å; C109-P111 WeakPolarHBondContact O-CD 3.45Å; P111-L432 HydrophobicContact CB-CD1 4.23Å; P111-L432 HydrophobicContact CB-CD2 4.36Å; P111-L432 HydrophobicContact CB-CG 4.17Å; P111-L432 HydrophobicContact CG-CG 4.26Å; P111-L435 HydrophobicContact CB-CD2 4.29Å; P111-L435 HydrophobicContact CG-CD2 4.44Å
112	H	93.8	Very high	93.4	Very high	89 Å²	89	66.8 Å²	66.8	41%	0.412	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	113.5	168	-68.5	-74.5	0	0	0	110	R96 D110	R96-H112 HydrophobicContact CB-CB 4.08Å; R96-H112 HydrophobicContact CG-CB 4.33Å; R96-H112 PolarHBondContact N-O 3.37Å; R96-H112 PolarHBondContact O-N 3.37Å; D110-H112 PolarHBondContact O-N 2.92Å
113	I	93.6	Very high	93.7	Very high	62 Å²	62	68 Å²	68	32%	0.318	35%	0.348	S	S	.	.			trans	-109.3	-179.4	177	61.4	172.4	0	0	0	111	L95 F429 L432 V461 D462	L95-I113 HydrophobicContact CD1-CG2 4.07Å; I113-F429 HydrophobicContact CD1-CD2 4.09Å; I113-F429 HydrophobicContact CD1-CE2 3.71Å; I113-L432 HydrophobicContact CG2-CD2 3.33Å; I113-V461 HydrophobicContact CB-CG1 4.41Å; I113-V461 HydrophobicContact CD1-CG1 3.85Å; I113-V461 HydrophobicContact CG2-CG1 4.16Å; I113-D462 WeakPolarHBondContact CB-OD1 3.45Å
114	G	92.5	Very high	94.1	Very high	39 Å²	39	65 Å²	65	40%	0.402	32%	0.316	S	S	.	.			trans	98.4	1.7	-179.3	0	0	0	0	0	114.2	L116 H117 D462	G114-L116 PolarHBondContact O-N 2.91Å; G114-H117 WeakPolarHBondContact O-CB 3.42Å; G114-H117 PolarHBondContact O-N 3.22Å; G114-D462 VanDerWaalsContact CA-CG 3.45Å; G114-D462 WeakPolarHBondContact CA-OD1 3.12Å; G114-D462 VanDerWaalsContact CA-OD2 3.24Å; G114-D462 WeakPolarHBondContact CA-OD2 3.33Å; G114-D462 PolarHBondContact N-OD1 3.48Å; G114-D462 PolarHBondContact N-OD2 2.97Å
115	L	92.6	Very high	94.4	Very high	94 Å²	94	60.1 Å²	60.1	49%	0.492	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-23.1	178.8	-61.4	175	0	0	0	111.8	P86 V94 R96 D462	P86-L115 HydrophobicContact CB-CD1 4.11Å; P86-L115 HydrophobicContact CG-CD1 3.86Å; V94-L115 HydrophobicContact CB-CB 4.31Å; V94-L115 HydrophobicContact CG1-CB 3.68Å; V94-L115 HydrophobicContact CG1-CD1 3.62Å; V94-L115 HydrophobicContact CG1-CG 4.26Å; R96-L115 HydrophobicContact CB-CD1 4.33Å; L115-D462 PolarHBondContact N-OD2 3.35Å
116	L	93.9	Very high	94.5	Very high	44 Å²	44	63.5 Å²	63.5	23%	0.23	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	16	174.8	-156.5	65.9	0	0	0	112.7	G114 R118 F458 D462	G114-L116 PolarHBondContact O-N 2.91Å; L116-R118 WeakPolarHBondContact O-CG 3.36Å; L116-R118 PolarHBondContact O-N 3.15Å; L116-F458 HydrophobicContact CD2-CB 4.24Å; L116-D462 HydrophobicContact CB-CB 4.17Å; L116-D462 PolarHBondContact N-OD2 2.88Å
117	H	95.1	Very high	94.6	Very high	113 Å²	113	66.7 Å²	66.7	52%	0.523	32%	0.317	S	S	.	.			trans	-69.7	122.5	-180	177.5	72.2	0	0	0	110.7	G114 D462 R463	G114-H117 WeakPolarHBondContact O-CB 3.42Å; G114-H117 PolarHBondContact O-N 3.22Å; H117-D462 HydrophobicContact CB-CB 4.23Å; H117-R463 PolarHBondContact CE1-O 2.82Å; H117-R463 VanDerWaalsContact ND1-C 3.27Å; H117-R463 PolarHBondContact ND1-O 3.37Å
118	R	92.8	Very high	94.8	Very high	152 Å²	152	60 Å²	60	57%	0.574	29%	0.294	S	S	*	.			trans	-113.8	2.7	-175.8	-63.1	172.5	-165.7	-179	2.3	113.5	L116 T120	L116-R118 WeakPolarHBondContact O-CG 3.36Å; L116-R118 PolarHBondContact O-N 3.15Å; R118-T120 VanDerWaalsContact C-N 3.29Å; R118-T120 HydrophobicContact CB-CG2 4.06Å; R118-T120 PolarHBondContact O-N 2.95Å
119	G	94.3	Very high	95	Very high	18 Å²	18	56.4 Å²	56.4	19%	0.186	28%	0.278	C	S	.	.			trans	61.3	38.5	-173.4	0	0	0	0	0	112.3	E121 K122 L123 R463	G119-E121 PolarHBondContact O-N 3.47Å; G119-K122 WeakPolarHBondContact O-CB 3.49Å; G119-K122 PolarHBondContact O-N 2.69Å; G119-K122 VanDerWaalsContact O-N 3.07Å; G119-L123 WeakPolarHBondContact O-CG 3.26Å; G119-L123 PolarHBondContact O-N 2.85Å; G119-R463 PolarHBondContact N-OXT 3.13Å
120	T	94.5	Very high	95.1	Very high	12 Å²	12	58.5 Å²	58.5	7%	0.074	29%	0.289	C	S	.	.	H	α-helix	trans	-58.5	-46.9	-174.3	56.4	0	0	0	0	111.7	R118 K122 L123 I124 Y135 L139 R463	R118-T120 VanDerWaalsContact C-N 3.29Å; R118-T120 HydrophobicContact CB-CG2 4.06Å; R118-T120 PolarHBondContact O-N 2.95Å; T120-K122 PolarHBondContact O-N 3.16Å; T120-L123 PolarHBondContact O-N 2.64Å; T120-L123 VanDerWaalsContact O-N 3.12Å; T120-I124 WeakPolarHBondContact O-CG1 3.45Å; T120-I124 PolarHBondContact O-N 3.42Å; T120-Y135 HydrophobicContact CG2-CD1 4.28Å; T120-L139 HydrophobicContact CG2-CD2 4.1Å; T120-R463 WeakPolarHBondContact CB-OXT 3.47Å; T120-R463 PolarHBondContact N-OXT 2.96Å; T120-R463 VanDerWaalsContact OG1-C 3.32Å; T120-R463 PolarHBondContact OG1-OXT 3.27Å
121	E	94.5	Very high	95.2	Very high	20 Å²	20	60.8 Å²	60.8	9%	0.093	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-33.1	177.9	-63.6	-173.5	169.9	0	0	112	G119 R421 C422 K423 I424 R463	G119-E121 PolarHBondContact O-N 3.47Å; E121-R421 IonicContact OE2-CZ 2.91Å; E121-R421 IonicContact OE2-NH1 3.78Å; E121-R421 IonicContact OE2-NH2 3.17Å; E121-R421 PolarHBondContact OE2-NH2 3.17Å; E121-C422 WeakPolarHBondContact CG-O 3.47Å; E121-K423 WeakPolarHBondContact OE1-CD 3.28Å; E121-K423 IonicContact OE1-NZ 2.73Å; E121-K423 PolarHBondContact OE1-NZ 2.9Å; E121-K423 IonicContact OE2-NZ 3.46Å; E121-I424 HydrophobicContact CG-CD1 4.11Å; E121-I424 PolarHBondContact OE1-N 3.4Å; E121-R463 HydrophobicContact CG-CB 4.43Å
122	K	96.7	Very high	95.3	Very high	99 Å²	99	59 Å²	59	43%	0.43	29%	0.286	S	S	.	.	H	α-helix	trans	-75	-37.9	177.8	-173.7	61.6	-174.6	168.9	0	112.3	G119 T120 I124 E125 Y126	G119-K122 WeakPolarHBondContact O-CB 3.49Å; G119-K122 PolarHBondContact O-N 2.69Å; G119-K122 VanDerWaalsContact O-N 3.07Å; T120-K122 PolarHBondContact O-N 3.16Å; K122-I124 VanDerWaalsContact C-N 3.27Å; K122-I124 PolarHBondContact O-N 3.39Å; K122-E125 WeakPolarHBondContact CD-OE2 3.2Å; K122-E125 IonicContact NZ-OE2 2.83Å; K122-E125 PolarHBondContact NZ-OE2 3.19Å; K122-E125 PolarHBondContact O-N 3.45Å; K122-Y126 HydrophobicContact CD-CE2 4.35Å; K122-Y126 WeakPolarHBondContact CE-OH 3.36Å; K122-Y126 HydrophobicContact CG-CE2 4.29Å; K122-Y126 PolarHBondContact NZ-OH 2.89Å; K122-Y126 WeakPolarHBondContact O-CD2 3.31Å
123	L	96.9	Very high	95.4	Very high	71 Å²	71	54.8 Å²	54.8	37%	0.372	27%	0.267	S	S	.	.	H	α-helix	trans	-66.8	-31.4	176.2	-66.6	172.7	0	0	0	112.1	G119 T120 E125 Y126 K127 Y135	G119-L123 WeakPolarHBondContact O-CG 3.26Å; G119-L123 PolarHBondContact O-N 2.85Å; T120-L123 PolarHBondContact O-N 2.64Å; T120-L123 VanDerWaalsContact O-N 3.12Å; L123-E125 VanDerWaalsContact C-N 3.35Å; L123-Y126 PolarHBondContact O-N 3.16Å; L123-K127 WeakPolarHBondContact O-CG 3.36Å; L123-Y135 HydrophobicContact CB-CE1 4Å; L123-Y135 HydrophobicContact CD1-CE1 3.8Å
124	I	96.8	Very high	95.6	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-39.6	176	-70.6	167.6	0	0	0	111.2	T120 K122 Y126 K127 A132 Y135 F136 P419 C422	T120-I124 WeakPolarHBondContact O-CG1 3.45Å; T120-I124 PolarHBondContact O-N 3.42Å; K122-I124 VanDerWaalsContact C-N 3.27Å; K122-I124 PolarHBondContact O-N 3.39Å; I124-Y126 PolarHBondContact O-N 2.95Å; I124-Y126 VanDerWaalsContact O-N 3.12Å; I124-K127 PolarHBondContact O-N 3.44Å; I124-A132 HydrophobicContact CB-CB 4.49Å; I124-A132 HydrophobicContact CG1-CB 4.24Å; I124-A132 HydrophobicContact CG2-CB 3.96Å; I124-Y135 HydrophobicContact CG1-CD2 4.15Å; I124-Y135 HydrophobicContact CG1-CG 4.16Å; I124-F136 HydrophobicContact CD1-CE2 4.18Å; I124-F136 HydrophobicContact CD1-CZ 4.31Å; I124-P419 HydrophobicContact CG2-CB 4.43Å; I124-P419 HydrophobicContact CG2-CG 3.52Å; I124-C422 HydrophobicContact CB-CB 4.49Å; I124-C422 HydrophobicContact CG2-CB 3.69Å
125	E	96.1	Very high	95.7	Very high	42 Å²	42	54.5 Å²	54.5	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-25	179.4	-65	172.5	-170.4	0	0	113.3	K122 L123 R421	K122-E125 WeakPolarHBondContact CD-OE2 3.2Å; K122-E125 IonicContact NZ-OE2 2.83Å; K122-E125 PolarHBondContact NZ-OE2 3.19Å; K122-E125 PolarHBondContact O-N 3.45Å; L123-E125 VanDerWaalsContact C-N 3.35Å; E125-R421 VanDerWaalsContact OE1-CD 3.3Å; E125-R421 WeakPolarHBondContact OE1-CD 3.28Å; E125-R421 IonicContact OE1-CZ 3.12Å; E125-R421 IonicContact OE1-NE 3.55Å; E125-R421 IonicContact OE1-NH1 3.19Å; E125-R421 PolarHBondContact OE1-NH1 3.38Å
126	Y	96.8	Very high	95.9	Very high	151 Å²	151	50 Å²	50	59%	0.592	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-0.2	-179.8	-62.4	-51	0	0	0	114.2	K122 L123 I124	K122-Y126 HydrophobicContact CD-CE2 4.35Å; K122-Y126 WeakPolarHBondContact CE-OH 3.36Å; K122-Y126 HydrophobicContact CG-CE2 4.29Å; K122-Y126 PolarHBondContact NZ-OH 2.89Å; K122-Y126 WeakPolarHBondContact O-CD2 3.31Å; L123-Y126 PolarHBondContact O-N 3.16Å; I124-Y126 PolarHBondContact O-N 2.95Å; I124-Y126 VanDerWaalsContact O-N 3.12Å
127	K	97.1	Very high	95.8	Very high	67 Å²	67	48 Å²	48	29%	0.291	22%	0.221	S	C	.	.	S	Bend	trans	-119.2	158	-174.4	-71.5	178.9	-178.1	-62.9	0	111.5	L123 I124 Q131 Y135 R418 P419	L123-K127 WeakPolarHBondContact O-CG 3.36Å; I124-K127 PolarHBondContact O-N 3.44Å; K127-Q131 HydrophobicContact CB-CB 4.02Å; K127-Q131 HydrophobicContact CG-CB 4.5Å; K127-Y135 HydrophobicContact CD-CE2 3.49Å; K127-Y135 VanDerWaalsContact CD-CE2 3.49Å; K127-Y135 WeakPolarHBondContact CE-OH 2.94Å; K127-R418 WeakPolarHBondContact O-CG 3.45Å; K127-P419 WeakPolarHBondContact O-CD 3.4Å
128	T	97.4	Very high	95.7	Very high	18 Å²	18	49.2 Å²	49.2	11%	0.11	22%	0.221	C	C	.	.			trans	-74.7	164.3	174	64.3	0	0	0	0	111.1	L130 Q131 A132 S417 R418	T128-L130 VanDerWaalsContact C-N 3.28Å; T128-L130 PolarHBondContact O-N 3.49Å; T128-Q131 PolarHBondContact O-N 3.44Å; T128-Q131 WeakPolarHBondContact OG1-CG 3.38Å; T128-A132 WeakPolarHBondContact O-CB 3.02Å; T128-A132 PolarHBondContact O-N 3.04Å; T128-S417 WeakPolarHBondContact CA-O 3.4Å; T128-S417 WeakPolarHBondContact CB-O 3.46Å; T128-R418 HydrophobicContact CG2-CG 4.23Å
129	Y	96.7	Very high	95.6	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-54.9	-40.6	-178.9	-70.5	-83.1	0	0	0	113.8	A132 L133 Y151 V155 Y389 V391 S413 S417 P419	Y129-A132 PolarHBondContact O-N 3.36Å; Y129-L133 PolarHBondContact O-N 3.33Å; Y129-Y151 WeakPolarHBondContact CA-OH 3.48Å; Y129-Y151 WeakPolarHBondContact CD1-OH 3.5Å; Y129-Y151 WeakPolarHBondContact O-CE1 3.42Å; Y129-Y151 PolarHBondContact O-OH 2.91Å; Y129-V155 HydrophobicContact CD1-CG1 4.43Å; Y129-V155 HydrophobicContact CD1-CG2 3.85Å; Y129-V155 HydrophobicContact CE1-CG2 4.36Å; Y129-Y389 VanDerWaalsContact CB-OH 3.31Å; Y129-Y389 WeakPolarHBondContact CB-OH 3.26Å; Y129-Y389 HydrophobicContact CD2-CD2 4.49Å; Y129-Y389 HydrophobicContact CD2-CE2 4.06Å; Y129-Y389 AromaticContact CG-CE2 3.98Å; Y129-Y389 HydrophobicContact CG-CE2 3.98Å; Y129-V391 HydrophobicContact CD1-CG2 4.32Å; Y129-V391 HydrophobicContact CD2-CB 4.46Å; Y129-V391 HydrophobicContact CD2-CG2 3.55Å; Y129-V391 HydrophobicContact CE1-CG2 4.03Å; Y129-V391 HydrophobicContact CE2-CB 3.66Å; Y129-V391 HydrophobicContact CE2-CG2 3.22Å; Y129-V391 HydrophobicContact CG-CG2 4.11Å; Y129-V391 VanDerWaalsContact CZ-CG2 3.48Å; Y129-S413 VanDerWaalsContact OH-CB 3.25Å; Y129-S413 WeakPolarHBondContact OH-CB 3.24Å; Y129-S413 PolarHBondContact OH-OG 3.08Å; Y129-S413 VanDerWaalsContact OH-OG 3.04Å; Y129-S417 WeakPolarHBondContact CD2-O 3.49Å; Y129-S417 PolarHBondContact N-O 2.86Å; Y129-P419 HydrophobicContact CD1-CB 4.43Å; Y129-P419 HydrophobicContact CE1-CB 3.8Å; Y129-P419 HydrophobicContact CE1-CG 4.38Å
130	L	96.4	Very high	95.5	Very high	44 Å²	44	41.2 Å²	41.2	23%	0.23	19%	0.186	C	C	.	.	H	α-helix	trans	-71.2	-37.6	177.6	-177.3	63.1	0	0	0	112.3	T128 A132 L133 Y385	T128-L130 VanDerWaalsContact C-N 3.28Å; T128-L130 PolarHBondContact O-N 3.49Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-L133 WeakPolarHBondContact O-CB 3.27Å; L130-L133 PolarHBondContact O-N 3.49Å; L130-Y385 HydrophobicContact CD2-CD1 4.19Å; L130-Y385 HydrophobicContact CD2-CE1 3.89Å
131	Q	96.4	Very high	95.4	Very high	100 Å²	100	44.9 Å²	44.9	47%	0.467	20%	0.199	S	C	.	.	H	α-helix	trans	-73.1	-24.3	177.3	-70	177.5	1	0	0	112.8	K127 T128 P134	K127-Q131 HydrophobicContact CB-CB 4.02Å; K127-Q131 HydrophobicContact CG-CB 4.5Å; T128-Q131 PolarHBondContact O-N 3.44Å; T128-Q131 WeakPolarHBondContact OG1-CG 3.38Å; Q131-P134 WeakPolarHBondContact O-CD 3.36Å
132	A	96.5	Very high	95.4	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-78.9	-23.7	176.7	0	0	0	0	0	113	I124 T128 Y129 L130 Y135	I124-A132 HydrophobicContact CB-CB 4.49Å; I124-A132 HydrophobicContact CG1-CB 4.24Å; I124-A132 HydrophobicContact CG2-CB 3.96Å; T128-A132 WeakPolarHBondContact O-CB 3.02Å; T128-A132 PolarHBondContact O-N 3.04Å; Y129-A132 PolarHBondContact O-N 3.36Å; L130-A132 VanDerWaalsContact C-N 3.3Å; A132-Y135 WeakPolarHBondContact O-CB 3.44Å; A132-Y135 WeakPolarHBondContact O-CD2 3.37Å; A132-Y135 PolarHBondContact O-N 2.96Å
133	L	96.4	Very high	95.3	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-49.2	-48.5	-179	175.8	73	0	0	0	113.7	Y129 L130 Y135 F136 E148 Y151 I227 R228	Y129-L133 PolarHBondContact O-N 3.33Å; L130-L133 WeakPolarHBondContact O-CB 3.27Å; L130-L133 PolarHBondContact O-N 3.49Å; L133-Y135 PolarHBondContact O-N 3.12Å; L133-F136 WeakPolarHBondContact O-CB 3.42Å; L133-F136 PolarHBondContact O-N 3.33Å; L133-E148 HydrophobicContact CD1-CB 4.19Å; L133-E148 HydrophobicContact CD1-CG 4.22Å; L133-Y151 HydrophobicContact CB-CD1 4.36Å; L133-Y151 HydrophobicContact CB-CE1 4.07Å; L133-Y151 HydrophobicContact CD1-CD1 3.57Å; L133-Y151 HydrophobicContact CD1-CE1 4.09Å; L133-I227 WeakPolarHBondContact CD1-O 3.46Å; L133-R228 HydrophobicContact CD2-CB 4.42Å; L133-R228 HydrophobicContact CD2-CG 3.74Å
134	P	96.8	Very high	95.1	Very high	42 Å²	42	36 Å²	36	27%	0.273	16%	0.157	S	C	.	.	H	α-helix	trans	-69.4	-7.3	-176.2	-19.6	34.7	0	0	0	114.6	Q131 F136 R138	Q131-P134 WeakPolarHBondContact O-CD 3.36Å; P134-F136 VanDerWaalsContact C-N 3.35Å; P134-R138 WeakPolarHBondContact O-CD 3.36Å; P134-R138 WeakPolarHBondContact O-CG 3.14Å
135	Y	96.1	Very high	95.1	Very high	52 Å²	52	35.9 Å²	35.9	20%	0.204	16%	0.157	C	C	.	.	H	α-helix	trans	-68.5	-39.3	169	-75.8	-85.5	0	0	0	110.6	T120 L123 I124 K127 A132 L133 D137 R138 L139	T120-Y135 HydrophobicContact CG2-CD1 4.28Å; L123-Y135 HydrophobicContact CB-CE1 4Å; L123-Y135 HydrophobicContact CD1-CE1 3.8Å; I124-Y135 HydrophobicContact CG1-CD2 4.15Å; I124-Y135 HydrophobicContact CG1-CG 4.16Å; K127-Y135 HydrophobicContact CD-CE2 3.49Å; K127-Y135 VanDerWaalsContact CD-CE2 3.49Å; K127-Y135 WeakPolarHBondContact CE-OH 2.94Å; A132-Y135 WeakPolarHBondContact O-CB 3.44Å; A132-Y135 WeakPolarHBondContact O-CD2 3.37Å; A132-Y135 PolarHBondContact O-N 2.96Å; L133-Y135 PolarHBondContact O-N 3.12Å; Y135-D137 VanDerWaalsContact C-N 3.32Å; Y135-D137 PolarHBondContact O-N 3.35Å; Y135-R138 PolarHBondContact O-N 2.9Å; Y135-L139 WeakPolarHBondContact O-CG 3.29Å; Y135-L139 PolarHBondContact O-N 3.32Å
136	F	95.4	Very high	95.1	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.4	-36	-178.8	-68.6	-88.2	0	0	0	112.3	I124 L133 P134 R138 L139 N147 Y151 F407 V409 I424	I124-F136 HydrophobicContact CD1-CE2 4.18Å; I124-F136 HydrophobicContact CD1-CZ 4.31Å; L133-F136 WeakPolarHBondContact O-CB 3.42Å; L133-F136 PolarHBondContact O-N 3.33Å; P134-F136 VanDerWaalsContact C-N 3.35Å; F136-R138 PolarHBondContact O-N 2.64Å; F136-R138 VanDerWaalsContact O-N 3.15Å; F136-L139 HydrophobicContact CD1-CD1 4.04Å; F136-L139 PolarHBondContact O-N 2.88Å; F136-N147 HydrophobicContact CB-CB 4.05Å; F136-N147 WeakPolarHBondContact O-CB 3.29Å; F136-N147 PolarHBondContact O-ND2 2.9Å; F136-Y151 HydrophobicContact CD1-CG 4.4Å; F136-Y151 AromaticContact CD2-CD1 3.99Å; F136-Y151 HydrophobicContact CD2-CD1 3.99Å; F136-Y151 AromaticContact CD2-CD2 3.79Å; F136-Y151 HydrophobicContact CD2-CD2 3.79Å; F136-Y151 HydrophobicContact CD2-CE1 4.46Å; F136-Y151 HydrophobicContact CD2-CE2 4.28Å; F136-Y151 AromaticContact CD2-CG 3.59Å; F136-Y151 HydrophobicContact CD2-CG 3.59Å; F136-Y151 AromaticContact CE1-CD2 3.94Å; F136-Y151 HydrophobicContact CE1-CD2 3.94Å; F136-Y151 HydrophobicContact CE1-CG 4.25Å; F136-Y151 HydrophobicContact CE2-CD1 4.05Å; F136-Y151 AromaticContact CE2-CD2 3.09Å; F136-Y151 HydrophobicContact CE2-CD2 3.09Å; F136-Y151 HydrophobicContact CE2-CE1 4.28Å; F136-Y151 AromaticContact CE2-CE2 3.39Å; F136-Y151 HydrophobicContact CE2-CE2 3.39Å; F136-Y151 AromaticContact CE2-CG 3.43Å; F136-Y151 HydrophobicContact CE2-CG 3.43Å; F136-Y151 VanDerWaalsContact CE2-CG 3.43Å; F136-Y151 AromaticContact CE2-CZ 3.96Å; F136-Y151 HydrophobicContact CG-CD2 4.45Å; F136-Y151 HydrophobicContact CG-CG 4.09Å; F136-Y151 AromaticContact CZ-CD2 3.17Å; F136-Y151 HydrophobicContact CZ-CD2 3.17Å; F136-Y151 AromaticContact CZ-CE2 3.72Å; F136-Y151 HydrophobicContact CZ-CE2 3.72Å; F136-Y151 AromaticContact CZ-CG 3.77Å; F136-Y151 HydrophobicContact CZ-CG 3.77Å; F136-F407 HydrophobicContact CD1-CE1 4.45Å; F136-F407 HydrophobicContact CD1-CZ 4.34Å; F136-V409 HydrophobicContact CD1-CG2 4.46Å; F136-V409 HydrophobicContact CE1-CG1 3.97Å; F136-V409 HydrophobicContact CE1-CG2 3.84Å; F136-V409 HydrophobicContact CZ-CG1 4.12Å; F136-I424 HydrophobicContact CE1-CD1 4.21Å; F136-I424 HydrophobicContact CE1-CG1 3.86Å
137	D	92.9	Very high	95.1	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.011	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.8	171.9	-80.3	-34.8	0	0	0	114.8	Y135 E148 H223 A225	Y135-D137 VanDerWaalsContact C-N 3.32Å; Y135-D137 PolarHBondContact O-N 3.35Å; D137-E148 VanDerWaalsContact CG-OE1 3.23Å; D137-E148 WeakPolarHBondContact OD1-CG 3.28Å; D137-H223 HydrophobicContact CB-CB 4.28Å; D137-H223 PolarHBondContact O-CE1 2.93Å; D137-H223 VanDerWaalsContact O-CE1 3.31Å; D137-H223 PolarHBondContact O-ND1 3.49Å; D137-A225 PolarHBondContact OD2-N 2.96Å
138	R	93	Very high	95.1	Very high	138 Å²	138	23.7 Å²	23.7	52%	0.521	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-4.8	-169.5	-63.3	176.9	-174	-166.2	1.2	113.3	P134 Y135 F136	P134-R138 WeakPolarHBondContact O-CD 3.36Å; P134-R138 WeakPolarHBondContact O-CG 3.14Å; Y135-R138 PolarHBondContact O-N 2.9Å; F136-R138 PolarHBondContact O-N 2.64Å; F136-R138 VanDerWaalsContact O-N 3.15Å
139	L	90.4	Very high	95.1	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.016	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-82.2	176.3	-63.2	172.4	0	0	0	109.2	T120 Y135 F136 Y141 F407 I424 G459 E460 R463	T120-L139 HydrophobicContact CG2-CD2 4.1Å; Y135-L139 WeakPolarHBondContact O-CG 3.29Å; Y135-L139 PolarHBondContact O-N 3.32Å; F136-L139 HydrophobicContact CD1-CD1 4.04Å; F136-L139 PolarHBondContact O-N 2.88Å; L139-Y141 PolarHBondContact O-N 3.32Å; L139-F407 HydrophobicContact CD1-CZ 4.24Å; L139-I424 HydrophobicContact CD1-CD1 3.42Å; L139-I424 VanDerWaalsContact CD1-CD1 3.42Å; L139-I424 HydrophobicContact CD1-CG1 4.03Å; L139-I424 HydrophobicContact CD1-CG2 4.22Å; L139-I424 HydrophobicContact CD2-CD1 4.43Å; L139-G459 CarbonylContact O-C 3.57Å; L139-G459 WeakPolarHBondContact O-CA 3.44Å; L139-E460 HydrophobicContact CB-CB 4.49Å; L139-E460 PolarHBondContact O-N 2.77Å; L139-R463 HydrophobicContact CD2-CG 4.01Å
140	D	92.4	Very high	95.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-83	91	162.5	-176.3	2.7	0	0	0	108.4	V142 S143 N147 N182 K404 E460	D140-V142 PolarHBondContact O-N 3.3Å; D140-V142 VanDerWaalsContact O-N 3.12Å; D140-V142 PolarHBondContact OD1-N 3.22Å; D140-V142 VanDerWaalsContact OD1-N 3.08Å; D140-S143 CarbonylContact O-C 3.41Å; D140-S143 PolarHBondContact O-N 3.37Å; D140-S143 PolarHBondContact OD1-N 2.89Å; D140-S143 PolarHBondContact OD2-OG 2.94Å; D140-N147 WeakPolarHBondContact CB-ND2 3.39Å; D140-N147 PolarHBondContact N-ND2 3.19Å; D140-N147 PolarHBondContact O-ND2 3.46Å; D140-N182 PolarHBondContact OD2-ND2 3.03Å; D140-K404 WeakPolarHBondContact OD1-CE 3.47Å; D140-K404 VanDerWaalsContact OD2-CD 3.22Å; D140-K404 WeakPolarHBondContact OD2-CD 3.21Å; D140-K404 WeakPolarHBondContact OD2-CE 3.48Å; D140-E460 HydrophobicContact CB-CB 4.24Å; D140-E460 HydrophobicContact CB-CG 4.38Å
141	Y	91.4	Very high	95.1	Very high	88 Å²	88	20.7 Å²	20.7	35%	0.345	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	2	-178.9	56.9	-105.3	0	0	0	113.8	L139 M144 V457	L139-Y141 PolarHBondContact O-N 3.32Å; Y141-M144 VanDerWaalsContact O-SD 3.39Å; Y141-V457 HydrophobicContact CD1-CG1 3.61Å; Y141-V457 HydrophobicContact CD2-CG1 4.42Å; Y141-V457 HydrophobicContact CE1-CG1 3.24Å; Y141-V457 HydrophobicContact CE2-CG1 4.09Å; Y141-V457 HydrophobicContact CG-CG1 4.2Å; Y141-V457 VanDerWaalsContact CZ-CG1 3.49Å
142	V	93.9	Very high	95.2	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.018	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-32.6	172.3	-170.8	0	0	0	0	111.1	D140 M144 N182 M185 V457	D140-V142 PolarHBondContact O-N 3.3Å; D140-V142 VanDerWaalsContact O-N 3.12Å; D140-V142 PolarHBondContact OD1-N 3.22Å; D140-V142 VanDerWaalsContact OD1-N 3.08Å; V142-M144 VanDerWaalsContact C-SD 3.55Å; V142-N182 HydrophobicContact CG1-CB 4.04Å; V142-N182 WeakPolarHBondContact CG1-OD1 3.14Å; V142-M185 HydrophobicContact CG1-CB 3.86Å; V142-M185 HydrophobicContact CG1-CG 4.08Å; V142-M185 HydrophobicContact CG2-CG 4.34Å; V142-V457 HydrophobicContact CG2-CG2 3.87Å
143	S	95.1	Very high	95.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-112.1	64.8	175.5	71.9	0	0	0	0	114.3	D140 C146 N147	D140-S143 CarbonylContact O-C 3.41Å; D140-S143 PolarHBondContact O-N 3.37Å; D140-S143 PolarHBondContact OD1-N 2.89Å; D140-S143 PolarHBondContact OD2-OG 2.94Å; S143-C146 PolarHBondContact O-N 3.21Å; S143-N147 PolarHBondContact O-N 3.17Å; S143-N147 PolarHBondContact O-ND2 2.66Å; S143-N147 PolarHBondContact O-OD1 2.74Å
144	M	94	Very high	95.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-56.7	-59.5	-174.6	-51.2	78.7	76.6	0	0	112.3	Y141 V142 C146 N147 E148 F211 Y214 M222	Y141-M144 VanDerWaalsContact O-SD 3.39Å; V142-M144 VanDerWaalsContact C-SD 3.55Å; M144-C146 VanDerWaalsContact C-N 3.33Å; M144-C146 PolarHBondContact O-N 3.31Å; M144-N147 PolarHBondContact O-N 2.69Å; M144-N147 VanDerWaalsContact O-N 3.12Å; M144-E148 PolarHBondContact O-N 3.12Å; M144-E148 VanDerWaalsContact O-N 3.13Å; M144-F211 HydrophobicContact CE-CE1 4.12Å; M144-Y214 HydrophobicContact CE-CD2 3.7Å; M144-Y214 HydrophobicContact CE-CE2 3.45Å; M144-Y214 VanDerWaalsContact CE-CE2 3.45Å; M144-M222 HydrophobicContact CE-CB 4.12Å; M144-M222 HydrophobicContact CE-CG 4.43Å; M144-M222 VanDerWaalsContact CE-O 3.27Å; M144-M222 WeakPolarHBondContact CE-O 3.46Å; M144-M222 WeakPolarHBondContact CG-O 3.31Å
145	M	96.1	Very high	95.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-65.7	-33.1	-175.2	-58.9	-72.6	-167.9	0	0	112.7	N147 E148 Q149 T178 Y214 A224 Y226 I227	M145-N147 VanDerWaalsContact C-N 3.33Å; M145-N147 PolarHBondContact O-N 3.45Å; M145-E148 PolarHBondContact O-N 2.82Å; M145-E148 VanDerWaalsContact SD-OE2 3.36Å; M145-Q149 VanDerWaalsContact O-CB 3.3Å; M145-Q149 WeakPolarHBondContact O-CB 3.43Å; M145-Q149 PolarHBondContact O-N 3.25Å; M145-T178 WeakPolarHBondContact CB-OG1 3.4Å; M145-Y214 HydrophobicContact CE-CD2 4.1Å; M145-Y214 HydrophobicContact CE-CE2 4.08Å; M145-Y214 HydrophobicContact CG-CE2 3.82Å; M145-A224 HydrophobicContact CE-CB 3.29Å; M145-A224 HydrophobicContact SD-CB 4.01Å; M145-Y226 HydrophobicContact CE-CD1 4.01Å; M145-Y226 HydrophobicContact CE-CG 4.15Å; M145-Y226 HydrophobicContact SD-CD1 4.16Å; M145-Y226 HydrophobicContact SD-CG 4.48Å; M145-I227 HydrophobicContact CB-CD1 3.89Å; M145-I227 WeakPolarHBondContact O-CD1 3.45Å; M145-I227 HydrophobicContact SD-CD1 4.33Å; M145-I227 HydrophobicContact SD-CG1 4.23Å
146	C	96.6	Very high	95.3	Very high	3 Å²	3	13 Å²	13	2%	0.02	5%	0.053	C	C	.	.	H	α-helix	trans	-62.2	-43.1	175.2	-64.8	0	0	0	0	110.6	S143 M144 E148 Q149 A150 T178 I400	S143-C146 PolarHBondContact O-N 3.21Å; M144-C146 VanDerWaalsContact C-N 3.33Å; M144-C146 PolarHBondContact O-N 3.31Å; C146-E148 PolarHBondContact O-N 2.79Å; C146-Q149 WeakPolarHBondContact O-CB 3.29Å; C146-Q149 PolarHBondContact O-N 2.91Å; C146-Q149 VanDerWaalsContact O-N 3.16Å; C146-A150 PolarHBondContact O-N 3.17Å; C146-T178 HydrophobicContact CB-CG2 4.47Å; C146-I400 HydrophobicContact CB-CD1 4.1Å; C146-I400 WeakPolarHBondContact O-CD1 3.05Å
147	N	96.1	Very high	95.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.2	-39.8	179	-56.4	-16.9	0	0	0	111.6	F136 D140 S143 M144 M145 Q149 A150 Y151 F407	F136-N147 HydrophobicContact CB-CB 4.05Å; F136-N147 WeakPolarHBondContact O-CB 3.29Å; F136-N147 PolarHBondContact O-ND2 2.9Å; D140-N147 WeakPolarHBondContact CB-ND2 3.39Å; D140-N147 PolarHBondContact N-ND2 3.19Å; D140-N147 PolarHBondContact O-ND2 3.46Å; S143-N147 PolarHBondContact O-N 3.17Å; S143-N147 PolarHBondContact O-ND2 2.66Å; S143-N147 PolarHBondContact O-OD1 2.74Å; M144-N147 PolarHBondContact O-N 2.69Å; M144-N147 VanDerWaalsContact O-N 3.12Å; M145-N147 VanDerWaalsContact C-N 3.33Å; M145-N147 PolarHBondContact O-N 3.45Å; N147-Q149 VanDerWaalsContact C-N 3.29Å; N147-Q149 PolarHBondContact O-N 3.44Å; N147-A150 PolarHBondContact O-N 2.78Å; N147-Y151 PolarHBondContact O-N 3.05Å; N147-Y151 VanDerWaalsContact O-N 3.09Å; N147-F407 HydrophobicContact CB-CE1 4.32Å; N147-F407 HydrophobicContact CB-CZ 4.33Å
148	E	96.4	Very high	95.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.9	-40.3	171.4	-64	-179.1	160.7	0	0	111.7	L133 D137 M144 M145 C146 Y151 S152 A225 Y226 I227	L133-E148 HydrophobicContact CD1-CB 4.19Å; L133-E148 HydrophobicContact CD1-CG 4.22Å; D137-E148 VanDerWaalsContact CG-OE1 3.23Å; D137-E148 WeakPolarHBondContact OD1-CG 3.28Å; M144-E148 PolarHBondContact O-N 3.12Å; M144-E148 VanDerWaalsContact O-N 3.13Å; M145-E148 PolarHBondContact O-N 2.82Å; M145-E148 VanDerWaalsContact SD-OE2 3.36Å; C146-E148 PolarHBondContact O-N 2.79Å; E148-Y151 PolarHBondContact O-N 2.86Å; E148-S152 VanDerWaalsContact O-CB 3.27Å; E148-S152 WeakPolarHBondContact O-CB 3.36Å; E148-S152 PolarHBondContact O-N 3.37Å; E148-S152 PolarHBondContact O-OG 3.43Å; E148-A225 WeakPolarHBondContact OE1-CA 3.47Å; E148-A225 PolarHBondContact OE1-N 2.82Å; E148-Y226 PolarHBondContact OE1-N 3.09Å; E148-Y226 PolarHBondContact OE2-N 3.29Å; E148-I227 HydrophobicContact CB-CB 3.81Å; E148-I227 HydrophobicContact CB-CG2 4.34Å; E148-I227 WeakPolarHBondContact OE2-CA 3.49Å; E148-I227 WeakPolarHBondContact OE2-CB 3.49Å; E148-I227 PolarHBondContact OE2-N 3.16Å
149	Q	97.4	Very high	95.6	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-63.7	-45.6	177.3	-172.3	179.5	15.9	0	0	111	M145 C146 N147 Y151 S152 L153 I227 D309	M145-Q149 VanDerWaalsContact O-CB 3.3Å; M145-Q149 WeakPolarHBondContact O-CB 3.43Å; M145-Q149 PolarHBondContact O-N 3.25Å; C146-Q149 WeakPolarHBondContact O-CB 3.29Å; C146-Q149 PolarHBondContact O-N 2.91Å; C146-Q149 VanDerWaalsContact O-N 3.16Å; N147-Q149 VanDerWaalsContact C-N 3.29Å; N147-Q149 PolarHBondContact O-N 3.44Å; Q149-Y151 VanDerWaalsContact C-N 3.32Å; Q149-Y151 PolarHBondContact O-N 3.45Å; Q149-S152 VanDerWaalsContact CA-OG 3.31Å; Q149-S152 WeakPolarHBondContact CA-OG 3.44Å; Q149-S152 PolarHBondContact O-N 2.78Å; Q149-S152 PolarHBondContact O-OG 3.29Å; Q149-L153 HydrophobicContact CG-CD1 4Å; Q149-L153 HydrophobicContact CG-CG 4.43Å; Q149-L153 WeakPolarHBondContact O-CB 3.39Å; Q149-L153 VanDerWaalsContact O-CG 3.27Å; Q149-L153 WeakPolarHBondContact O-CG 3.49Å; Q149-L153 PolarHBondContact O-N 3.27Å; Q149-I227 HydrophobicContact CB-CD1 4.16Å; Q149-I227 HydrophobicContact CB-CG2 4.47Å; Q149-D309 PolarHBondContact NE2-OD2 2.86Å
150	A	96.9	Very high	95.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.6	-45.4	176.9	0	0	0	0	0	112.1	C146 N147 A154 I400 F407 V409	C146-A150 PolarHBondContact O-N 3.17Å; N147-A150 PolarHBondContact O-N 2.78Å; A150-A154 WeakPolarHBondContact O-CB 3.15Å; A150-A154 PolarHBondContact O-N 2.92Å; A150-A154 VanDerWaalsContact O-N 3.09Å; A150-I400 HydrophobicContact CB-CD1 3.66Å; A150-I400 HydrophobicContact CB-CG1 3.68Å; A150-I400 HydrophobicContact CB-CG2 4.32Å; A150-F407 HydrophobicContact CB-CD1 3.43Å; A150-F407 VanDerWaalsContact CB-CD1 3.43Å; A150-F407 HydrophobicContact CB-CE1 3.65Å; A150-V409 HydrophobicContact CB-CG2 4.06Å
151	Y	97.3	Very high	95.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-69.2	-42.1	178.6	176.7	-110.5	0	0	0	112.4	Y129 L133 F136 N147 E148 Q149 A154 V155 P229 L411	Y129-Y151 WeakPolarHBondContact CA-OH 3.48Å; Y129-Y151 WeakPolarHBondContact CD1-OH 3.5Å; Y129-Y151 WeakPolarHBondContact O-CE1 3.42Å; Y129-Y151 PolarHBondContact O-OH 2.91Å; L133-Y151 HydrophobicContact CB-CD1 4.36Å; L133-Y151 HydrophobicContact CB-CE1 4.07Å; L133-Y151 HydrophobicContact CD1-CD1 3.57Å; L133-Y151 HydrophobicContact CD1-CE1 4.09Å; F136-Y151 HydrophobicContact CD1-CG 4.4Å; F136-Y151 AromaticContact CD2-CD1 3.99Å; F136-Y151 HydrophobicContact CD2-CD1 3.99Å; F136-Y151 AromaticContact CD2-CD2 3.79Å; F136-Y151 HydrophobicContact CD2-CD2 3.79Å; F136-Y151 HydrophobicContact CD2-CE1 4.46Å; F136-Y151 HydrophobicContact CD2-CE2 4.28Å; F136-Y151 AromaticContact CD2-CG 3.59Å; F136-Y151 HydrophobicContact CD2-CG 3.59Å; F136-Y151 AromaticContact CE1-CD2 3.94Å; F136-Y151 HydrophobicContact CE1-CD2 3.94Å; F136-Y151 HydrophobicContact CE1-CG 4.25Å; F136-Y151 HydrophobicContact CE2-CD1 4.05Å; F136-Y151 AromaticContact CE2-CD2 3.09Å; F136-Y151 HydrophobicContact CE2-CD2 3.09Å; F136-Y151 HydrophobicContact CE2-CE1 4.28Å; F136-Y151 AromaticContact CE2-CE2 3.39Å; F136-Y151 HydrophobicContact CE2-CE2 3.39Å; F136-Y151 AromaticContact CE2-CG 3.43Å; F136-Y151 HydrophobicContact CE2-CG 3.43Å; F136-Y151 VanDerWaalsContact CE2-CG 3.43Å; F136-Y151 AromaticContact CE2-CZ 3.96Å; F136-Y151 HydrophobicContact CG-CD2 4.45Å; F136-Y151 HydrophobicContact CG-CG 4.09Å; F136-Y151 AromaticContact CZ-CD2 3.17Å; F136-Y151 HydrophobicContact CZ-CD2 3.17Å; F136-Y151 AromaticContact CZ-CE2 3.72Å; F136-Y151 HydrophobicContact CZ-CE2 3.72Å; F136-Y151 AromaticContact CZ-CG 3.77Å; F136-Y151 HydrophobicContact CZ-CG 3.77Å; N147-Y151 PolarHBondContact O-N 3.05Å; N147-Y151 VanDerWaalsContact O-N 3.09Å; E148-Y151 PolarHBondContact O-N 2.86Å; Q149-Y151 VanDerWaalsContact C-N 3.32Å; Q149-Y151 PolarHBondContact O-N 3.45Å; Y151-A154 WeakPolarHBondContact O-CB 3.31Å; Y151-A154 PolarHBondContact O-N 3.49Å; Y151-V155 HydrophobicContact CD2-CG2 4.26Å; Y151-V155 HydrophobicContact CE1-CG2 4.16Å; Y151-V155 HydrophobicContact CE2-CG2 3.86Å; Y151-V155 WeakPolarHBondContact O-CG2 3.13Å; Y151-V155 PolarHBondContact O-N 2.93Å; Y151-P229 HydrophobicContact CE1-CG 4.27Å; Y151-L411 HydrophobicContact CD2-CD1 4.13Å; Y151-L411 HydrophobicContact CE2-CD1 3.96Å; Y151-L411 HydrophobicContact CE2-CD2 4.22Å
152	S	97	Very high	96.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.8	-41.9	178.7	59	0	0	0	0	111.8	E148 Q149 A154 V155 E156 I227	E148-S152 VanDerWaalsContact O-CB 3.27Å; E148-S152 WeakPolarHBondContact O-CB 3.36Å; E148-S152 PolarHBondContact O-N 3.37Å; E148-S152 PolarHBondContact O-OG 3.43Å; Q149-S152 VanDerWaalsContact CA-OG 3.31Å; Q149-S152 WeakPolarHBondContact CA-OG 3.44Å; Q149-S152 PolarHBondContact O-N 2.78Å; Q149-S152 PolarHBondContact O-OG 3.29Å; S152-A154 VanDerWaalsContact C-N 3.32Å; S152-A154 PolarHBondContact O-N 2.95Å; S152-V155 PolarHBondContact O-N 3.25Å; S152-E156 VanDerWaalsContact O-CB 3.28Å; S152-E156 WeakPolarHBondContact O-CB 3.27Å; S152-E156 WeakPolarHBondContact O-CG 3.33Å; S152-E156 PolarHBondContact O-N 3.11Å; S152-I227 VanDerWaalsContact OG-CG2 3.31Å; S152-I227 WeakPolarHBondContact OG-CG2 3.27Å
153	L	97.4	Very high	96.1	Very high	28 Å²	28	29 Å²	29	15%	0.147	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-36.6	172.9	-69.8	172.2	0	0	0	112.5	Q149 K157 Y308 I400	Q149-L153 HydrophobicContact CG-CD1 4Å; Q149-L153 HydrophobicContact CG-CG 4.43Å; Q149-L153 WeakPolarHBondContact O-CB 3.39Å; Q149-L153 VanDerWaalsContact O-CG 3.27Å; Q149-L153 WeakPolarHBondContact O-CG 3.49Å; Q149-L153 PolarHBondContact O-N 3.27Å; L153-K157 VanDerWaalsContact O-CB 3.29Å; L153-K157 WeakPolarHBondContact O-CB 3.45Å; L153-K157 PolarHBondContact O-N 3.09Å; L153-Y308 HydrophobicContact CD1-CD2 3.71Å; L153-Y308 HydrophobicContact CD1-CE2 4.46Å; L153-Y308 HydrophobicContact CD1-CG 4.04Å; L153-I400 HydrophobicContact CD1-CG2 3.67Å
154	A	97.1	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.9	-48.5	174.9	0	0	0	0	0	111.5	A150 Y151 S152 L158 T396 T398 V409 L411	A150-A154 WeakPolarHBondContact O-CB 3.15Å; A150-A154 PolarHBondContact O-N 2.92Å; A150-A154 VanDerWaalsContact O-N 3.09Å; Y151-A154 WeakPolarHBondContact O-CB 3.31Å; Y151-A154 PolarHBondContact O-N 3.49Å; S152-A154 VanDerWaalsContact C-N 3.32Å; S152-A154 PolarHBondContact O-N 2.95Å; A154-L158 PolarHBondContact O-N 2.57Å; A154-T396 HydrophobicContact CB-CG2 4.45Å; A154-T398 WeakPolarHBondContact CA-OG1 3.38Å; A154-T398 HydrophobicContact CB-CG2 4.44Å; A154-T398 WeakPolarHBondContact CB-OG1 3.31Å; A154-T398 PolarHBondContact N-OG1 3.07Å; A154-V409 HydrophobicContact CB-CB 4.31Å; A154-L411 HydrophobicContact CB-CD1 3.5Å; A154-L411 VanDerWaalsContact CB-CD1 3.5Å; A154-L411 HydrophobicContact CB-CG 4.2Å
155	V	97.1	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-70.1	-40.8	-179.8	178.1	0	0	0	0	111	Y129 Y151 S152 K157 L158 L159 P229 Y389 V391 L411	Y129-V155 HydrophobicContact CD1-CG1 4.43Å; Y129-V155 HydrophobicContact CD1-CG2 3.85Å; Y129-V155 HydrophobicContact CE1-CG2 4.36Å; Y151-V155 HydrophobicContact CD2-CG2 4.26Å; Y151-V155 HydrophobicContact CE1-CG2 4.16Å; Y151-V155 HydrophobicContact CE2-CG2 3.86Å; Y151-V155 WeakPolarHBondContact O-CG2 3.13Å; Y151-V155 PolarHBondContact O-N 2.93Å; S152-V155 PolarHBondContact O-N 3.25Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 3.12Å; V155-L158 PolarHBondContact O-N 3.39Å; V155-L159 HydrophobicContact CG1-CD1 3.77Å; V155-L159 HydrophobicContact CG1-CG 4.3Å; V155-L159 WeakPolarHBondContact O-CB 3.48Å; V155-L159 WeakPolarHBondContact O-CG 3.3Å; V155-L159 PolarHBondContact O-N 2.82Å; V155-P229 HydrophobicContact CB-CB 3.9Å; V155-P229 HydrophobicContact CB-CG 3.93Å; V155-P229 HydrophobicContact CG1-CB 3.65Å; V155-P229 HydrophobicContact CG1-CG 3.97Å; V155-P229 HydrophobicContact CG2-CG 4.19Å; V155-Y389 HydrophobicContact CG1-CE2 3.94Å; V155-V391 HydrophobicContact CG1-CG2 4.4Å; V155-L411 HydrophobicContact CG2-CD1 3.71Å
156	E	96.6	Very high	96.2	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.028	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-39.4	176.6	-75.4	167.6	-174.6	0	0	112.1	S152 L159 N160 I161 R171 G230 G231	S152-E156 VanDerWaalsContact O-CB 3.28Å; S152-E156 WeakPolarHBondContact O-CB 3.27Å; S152-E156 WeakPolarHBondContact O-CG 3.33Å; S152-E156 PolarHBondContact O-N 3.11Å; E156-L159 CarbonylContact O-C 3.57Å; E156-L159 PolarHBondContact O-N 3.47Å; E156-N160 PolarHBondContact O-N 2.96Å; E156-I161 HydrophobicContact CB-CG1 4.16Å; E156-I161 HydrophobicContact CG-CD1 4.15Å; E156-I161 HydrophobicContact CG-CG1 4.01Å; E156-I161 PolarHBondContact O-N 3.38Å; E156-R171 IonicContact OE1-CZ 3.94Å; E156-R171 IonicContact OE1-NH1 2.72Å; E156-R171 PolarHBondContact OE1-NH1 3.4Å; E156-R171 IonicContact OE1-NH2 2.59Å; E156-R171 PolarHBondContact OE1-NH2 3.2Å; E156-R171 IonicContact OE2-CZ 3.06Å; E156-R171 IonicContact OE2-NH1 3.56Å; E156-R171 PolarHBondContact OE2-NH1 3.39Å; E156-R171 IonicContact OE2-NH2 3.62Å; E156-G230 WeakPolarHBondContact OE1-CA 3.31Å; E156-G230 PolarHBondContact OE1-N 3.47Å; E156-G231 PolarHBondContact OE1-N 3.38Å
157	K	96.4	Very high	96.2	Very high	121 Å²	121	35.4 Å²	35.4	53%	0.526	17%	0.17	S	C	.	.	H	α-helix	trans	-64.1	-38	174.4	-176.3	178.7	-91.3	179.2	0	112	L153 V155 N160 T396 T398	L153-K157 VanDerWaalsContact O-CB 3.29Å; L153-K157 WeakPolarHBondContact O-CB 3.45Å; L153-K157 PolarHBondContact O-N 3.09Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 3.12Å; K157-N160 PolarHBondContact O-OD1 3.44Å; K157-T396 VanDerWaalsContact CD-OG1 3.29Å; K157-T396 WeakPolarHBondContact CD-OG1 3.49Å; K157-T398 HydrophobicContact CB-CG2 4.23Å; K157-T398 HydrophobicContact CD-CG2 3.66Å
158	L	95.8	Very high	96.2	Very high	18 Å²	18	37.2 Å²	37.2	9%	0.094	18%	0.178	C	C	.	.	H	α-helix	trans	-72.3	-35.6	174.4	-71.9	177.4	0	0	0	112.8	A154 V155 N160 V391 T396 L411	A154-L158 PolarHBondContact O-N 2.57Å; V155-L158 PolarHBondContact O-N 3.39Å; L158-N160 VanDerWaalsContact C-N 3.27Å; L158-N160 PolarHBondContact O-N 3.14Å; L158-V391 HydrophobicContact CB-CG1 3.58Å; L158-V391 HydrophobicContact CD1-CG1 3.99Å; L158-V391 HydrophobicContact CG-CG1 4.42Å; L158-T396 HydrophobicContact CD1-CG2 3.82Å; L158-T396 HydrophobicContact CD2-CG2 3.84Å; L158-T396 HydrophobicContact CG-CG2 3.55Å; L158-L411 HydrophobicContact CD1-CB 4.08Å
159	L	95.7	Very high	96.3	Very high	25 Å²	25	37.8 Å²	37.8	13%	0.131	18%	0.181	C	C	.	.	H	α-helix	trans	-77	-11.6	177.6	-75.3	173.9	0	0	0	113.4	V155 E156 I161 V363 Y389 V391	V155-L159 HydrophobicContact CG1-CD1 3.77Å; V155-L159 HydrophobicContact CG1-CG 4.3Å; V155-L159 WeakPolarHBondContact O-CB 3.48Å; V155-L159 WeakPolarHBondContact O-CG 3.3Å; V155-L159 PolarHBondContact O-N 2.82Å; E156-L159 CarbonylContact O-C 3.57Å; E156-L159 PolarHBondContact O-N 3.47Å; L159-I161 HydrophobicContact CB-CD1 4.02Å; L159-I161 HydrophobicContact CB-CG1 3.87Å; L159-I161 HydrophobicContact CB-CG2 4.34Å; L159-I161 HydrophobicContact CD1-CD1 3.87Å; L159-I161 PolarHBondContact O-N 3.05Å; L159-V363 HydrophobicContact CD1-CG1 3.88Å; L159-V363 HydrophobicContact CD1-CG2 4.34Å; L159-Y389 HydrophobicContact CD1-CD2 4.16Å; L159-Y389 HydrophobicContact CD1-CE2 4.06Å; L159-V391 HydrophobicContact CD2-CB 4.4Å; L159-V391 HydrophobicContact CD2-CG1 4.47Å; L159-V391 HydrophobicContact CD2-CG2 4Å; L159-V391 HydrophobicContact CG-CG2 4.22Å
160	N	95.4	Very high	96.3	Very high	144 Å²	144	37.8 Å²	37.8	77%	0.77	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	36.1	-174	-65.9	-50.5	0	0	0	113.7	E156 K157 L158	E156-N160 PolarHBondContact O-N 2.96Å; K157-N160 PolarHBondContact O-OD1 3.44Å; L158-N160 VanDerWaalsContact C-N 3.27Å; L158-N160 PolarHBondContact O-N 3.14Å
161	I	94.8	Very high	96.3	Very high	31 Å²	31	37.8 Å²	37.8	16%	0.159	18%	0.181	C	C	.	.			trans	-106	152.5	176.5	58.8	179.1	0	0	0	110.6	E156 L159 V363	E156-I161 HydrophobicContact CB-CG1 4.16Å; E156-I161 HydrophobicContact CG-CD1 4.15Å; E156-I161 HydrophobicContact CG-CG1 4.01Å; E156-I161 PolarHBondContact O-N 3.38Å; L159-I161 HydrophobicContact CB-CD1 4.02Å; L159-I161 HydrophobicContact CB-CG1 3.87Å; L159-I161 HydrophobicContact CB-CG2 4.34Å; L159-I161 HydrophobicContact CD1-CD1 3.87Å; L159-I161 PolarHBondContact O-N 3.05Å; I161-V363 HydrophobicContact CD1-CB 4.44Å; I161-V363 HydrophobicContact CD1-CG1 3.78Å; I161-V363 HydrophobicContact CD1-CG2 4.38Å
162	R	94	Very high	96.2	Very high	220 Å²	220	37.8 Å²	37.8	83%	0.83	18%	0.181	S	C	*	.			trans	-114.1	126.5	173.3	-67.4	-179.1	179.3	172.3	-0.9	109.1
163	P	95	Very high	96.3	Very high	12 Å²	12	37.8 Å²	37.8	8%	0.078	18%	0.181	C	C	.	.			trans	-65.9	152.5	174.4	27.1	-32.6	0	0	0	110.4	Q168	P163-Q168 HydrophobicContact CB-CG 4.35Å; P163-Q168 HydrophobicContact CG-CG 3.8Å; P163-Q168 PolarHBondContact O-NE2 2.99Å
164	P	96.1	Very high	96.2	Very high	22 Å²	22	36.5 Å²	36.5	14%	0.143	17%	0.174	C	C	.	.			trans	-66.2	155	179.8	29.3	-36.6	0	0	0	111.3	R166 A167 Q168 E355 K357	P164-R166 VanDerWaalsContact C-N 3.34Å; P164-R166 PolarHBondContact O-N 3.42Å; P164-A167 HydrophobicContact CG-CB 3.75Å; P164-A167 WeakPolarHBondContact O-CB 3.29Å; P164-A167 PolarHBondContact O-N 3.23Å; P164-Q168 PolarHBondContact O-N 3.25Å; P164-E355 WeakPolarHBondContact CB-O 3.5Å; P164-E355 WeakPolarHBondContact CG-O 3.4Å; P164-K357 WeakPolarHBondContact CG-O 3.36Å
165	P	95.8	Very high	96.2	Very high	82 Å²	82	36.5 Å²	36.5	53%	0.532	17%	0.174	S	C	.	.	H	α-helix	trans	-55.3	-44.8	-174.7	-27	34.4	0	0	0	113.3	A167 Q168 W169 P352	P165-A167 VanDerWaalsContact C-N 3.29Å; P165-A167 PolarHBondContact O-N 2.64Å; P165-Q168 WeakPolarHBondContact O-CB 3.47Å; P165-Q168 PolarHBondContact O-N 2.83Å; P165-Q168 VanDerWaalsContact O-N 3.09Å; P165-W169 PolarHBondContact O-N 2.89Å; P165-P352 HydrophobicContact CB-CG 4.45Å
166	R	96.1	Very high	96.2	Very high	34 Å²	34	36.5 Å²	36.5	13%	0.128	17%	0.174	C	C	.	.	H	α-helix	trans	-59.4	-39.8	178.9	-177.4	-179.5	177.3	74.7	1.9	112.2	P164 Q168 W169 I170 D235 P352 G354 I356	P164-R166 VanDerWaalsContact C-N 3.34Å; P164-R166 PolarHBondContact O-N 3.42Å; R166-Q168 VanDerWaalsContact C-N 3.35Å; R166-W169 PolarHBondContact O-N 3Å; R166-I170 HydrophobicContact CG-CD1 3.96Å; R166-I170 VanDerWaalsContact O-CG1 3.29Å; R166-I170 WeakPolarHBondContact O-CG1 3.48Å; R166-I170 PolarHBondContact O-N 2.71Å; R166-D235 IonicContact CZ-OD1 3.2Å; R166-D235 IonicContact CZ-OD2 2.84Å; R166-D235 IonicContact NE-OD1 3.14Å; R166-D235 PolarHBondContact NE-OD1 3.24Å; R166-D235 VanDerWaalsContact NE-OD1 3.14Å; R166-D235 IonicContact NE-OD2 3.19Å; R166-D235 PolarHBondContact NE-OD2 2.74Å; R166-D235 IonicContact NH2-OD1 2.85Å; R166-D235 PolarHBondContact NH2-OD1 3.02Å; R166-D235 IonicContact NH2-OD2 3.28Å; R166-D235 PolarHBondContact NH2-OD2 3.04Å; R166-P352 HydrophobicContact CB-CG 4.43Å; R166-P352 WeakPolarHBondContact CG-O 3.28Å; R166-P352 PolarHBondContact NH1-O 2.81Å; R166-G354 WeakPolarHBondContact CD-O 3.4Å; R166-I356 HydrophobicContact CG-CG2 4.2Å
167	A	96.4	Very high	96.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.3	-38.6	176.3	0	0	0	0	0	112.2	P164 P165 I170 R171 V232 I356	P164-A167 HydrophobicContact CG-CB 3.75Å; P164-A167 WeakPolarHBondContact O-CB 3.29Å; P164-A167 PolarHBondContact O-N 3.23Å; P165-A167 VanDerWaalsContact C-N 3.29Å; P165-A167 PolarHBondContact O-N 2.64Å; A167-I170 PolarHBondContact O-N 2.85Å; A167-R171 WeakPolarHBondContact O-CB 3.27Å; A167-R171 VanDerWaalsContact O-CG 3.26Å; A167-R171 WeakPolarHBondContact O-CG 3.46Å; A167-R171 PolarHBondContact O-N 2.96Å; A167-V232 HydrophobicContact CB-CG1 4.49Å; A167-V232 HydrophobicContact CB-CG2 4.38Å; A167-I356 VanDerWaalsContact CB-O 3.31Å; A167-I356 WeakPolarHBondContact CB-O 3.12Å
168	Q	96.4	Very high	96.3	Very high	37 Å²	37	30.6 Å²	30.6	17%	0.173	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-45.6	175.5	-65.2	173.5	-13.4	0	0	111.2	P163 P164 P165 R166 I170 R171 V172 D309 V310	P163-Q168 HydrophobicContact CB-CG 4.35Å; P163-Q168 HydrophobicContact CG-CG 3.8Å; P163-Q168 PolarHBondContact O-NE2 2.99Å; P164-Q168 PolarHBondContact O-N 3.25Å; P165-Q168 WeakPolarHBondContact O-CB 3.47Å; P165-Q168 PolarHBondContact O-N 2.83Å; P165-Q168 VanDerWaalsContact O-N 3.09Å; R166-Q168 VanDerWaalsContact C-N 3.35Å; Q168-I170 PolarHBondContact O-N 3.2Å; Q168-R171 WeakPolarHBondContact O-CB 3.4Å; Q168-R171 PolarHBondContact O-N 3.16Å; Q168-V172 WeakPolarHBondContact O-CG2 3.37Å; Q168-V172 PolarHBondContact O-N 3.18Å; Q168-D309 HydrophobicContact CB-CB 4.08Å; Q168-D309 HydrophobicContact CG-CB 4.34Å; Q168-V310 HydrophobicContact CB-CG1 4.09Å; Q168-V310 HydrophobicContact CB-CG2 4.02Å
169	W	97.1	Very high	96.4	Very high	13 Å²	13	29.9 Å²	29.9	5%	0.049	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-41.4	176.1	-76.5	99.8	0	0	0	112.8	P165 R166 V172 L173 V310 Q313 V314 C347 K350 M351 P352	P165-W169 PolarHBondContact O-N 2.89Å; R166-W169 PolarHBondContact O-N 3Å; W169-V172 PolarHBondContact O-N 3.27Å; W169-L173 WeakPolarHBondContact O-CB 3.42Å; W169-L173 PolarHBondContact O-N 3.34Å; W169-V310 HydrophobicContact CD2-CG2 3.85Å; W169-V310 HydrophobicContact CE3-CG2 4.2Å; W169-V310 HydrophobicContact CG-CG2 4.03Å; W169-V310 HydrophobicContact CZ2-CB 4.45Å; W169-Q313 HydrophobicContact CH2-CB 4.18Å; W169-Q313 HydrophobicContact CZ2-CB 4.22Å; W169-V314 HydrophobicContact CH2-CG1 4.12Å; W169-V314 HydrophobicContact CZ3-CG1 3.82Å; W169-C347 HydrophobicContact CE3-CB 4.15Å; W169-C347 HydrophobicContact CZ3-CB 4.39Å; W169-K350 HydrophobicContact CH2-CB 3.72Å; W169-K350 HydrophobicContact CH2-CD 3.82Å; W169-K350 HydrophobicContact CH2-CG 4.44Å; W169-K350 HydrophobicContact CZ2-CB 4.15Å; W169-K350 HydrophobicContact CZ3-CB 3.96Å; W169-K350 HydrophobicContact CZ3-CD 4.47Å; W169-M351 HydrophobicContact CB-CE 4.13Å; W169-M351 HydrophobicContact CB-SD 3.62Å; W169-P352 VanDerWaalsContact CD1-CG 3.45Å; W169-P352 HydrophobicContact CG-CG 4.24Å
170	I	96.9	Very high	96.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64	-41.9	175.6	-68.2	168.4	0	0	0	110.9	R166 A167 Q168 L173 F174 Y226 V232 L236 M351 I356	R166-I170 HydrophobicContact CG-CD1 3.96Å; R166-I170 VanDerWaalsContact O-CG1 3.29Å; R166-I170 WeakPolarHBondContact O-CG1 3.48Å; R166-I170 PolarHBondContact O-N 2.71Å; A167-I170 PolarHBondContact O-N 2.85Å; Q168-I170 PolarHBondContact O-N 3.2Å; I170-L173 PolarHBondContact O-N 3.03Å; I170-F174 HydrophobicContact CG2-CD2 3.72Å; I170-F174 HydrophobicContact CG2-CE2 3.9Å; I170-F174 WeakPolarHBondContact O-CD2 3.4Å; I170-F174 PolarHBondContact O-N 3.45Å; I170-Y226 HydrophobicContact CG2-CE1 3.93Å; I170-V232 HydrophobicContact CB-CG1 4.5Å; I170-V232 HydrophobicContact CD1-CG2 4.33Å; I170-V232 HydrophobicContact CG2-CG1 4.08Å; I170-V232 HydrophobicContact CG2-CG2 4.49Å; I170-L236 HydrophobicContact CD1-CG 4.13Å; I170-L236 HydrophobicContact CG1-CD1 4.25Å; I170-L236 HydrophobicContact CG1-CG 4.28Å; I170-L236 HydrophobicContact CG2-CD2 4.2Å; I170-M351 HydrophobicContact CG1-CE 4.2Å; I170-M351 HydrophobicContact CG1-SD 4.2Å; I170-I356 HydrophobicContact CD1-CG2 3.87Å
171	R	97	Very high	96.6	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-61.5	-44.7	176	-75.5	173.9	177.3	-171.2	-5.4	111.9	E156 A167 Q168 G175 I227 R228 G231 V232 D309	E156-R171 IonicContact OE1-CZ 3.94Å; E156-R171 IonicContact OE1-NH1 2.72Å; E156-R171 PolarHBondContact OE1-NH1 3.4Å; E156-R171 IonicContact OE1-NH2 2.59Å; E156-R171 PolarHBondContact OE1-NH2 3.2Å; E156-R171 IonicContact OE2-CZ 3.06Å; E156-R171 IonicContact OE2-NH1 3.56Å; E156-R171 PolarHBondContact OE2-NH1 3.39Å; E156-R171 IonicContact OE2-NH2 3.62Å; A167-R171 WeakPolarHBondContact O-CB 3.27Å; A167-R171 VanDerWaalsContact O-CG 3.26Å; A167-R171 WeakPolarHBondContact O-CG 3.46Å; A167-R171 PolarHBondContact O-N 2.96Å; Q168-R171 WeakPolarHBondContact O-CB 3.4Å; Q168-R171 PolarHBondContact O-N 3.16Å; R171-G175 WeakPolarHBondContact O-CA 3.33Å; R171-G175 PolarHBondContact O-N 3.45Å; R171-I227 HydrophobicContact CB-CD1 4.43Å; R171-I227 HydrophobicContact CG-CD1 4.02Å; R171-I227 HydrophobicContact CG-CG1 4.11Å; R171-I227 HydrophobicContact CG-CG2 4.18Å; R171-R228 PolarHBondContact NH2-O 3.04Å; R171-G231 PolarHBondContact NE-O 3.18Å; R171-G231 PolarHBondContact NH2-O 2.85Å; R171-V232 HydrophobicContact CG-CG1 3.96Å; R171-D309 IonicContact NH1-OD1 2.89Å
172	V	97.1	Very high	96.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.6	-43.7	177.1	172.9	0	0	0	0	110.8	Q168 W169 G175 E176 D309 V310 Y311 I343	Q168-V172 WeakPolarHBondContact O-CG2 3.37Å; Q168-V172 PolarHBondContact O-N 3.18Å; W169-V172 PolarHBondContact O-N 3.27Å; V172-G175 PolarHBondContact O-N 3.48Å; V172-E176 PolarHBondContact O-N 2.85Å; V172-D309 HydrophobicContact CG2-CB 3.93Å; V172-V310 HydrophobicContact CB-CG2 4.25Å; V172-V310 HydrophobicContact CG2-CG2 3.65Å; V172-Y311 HydrophobicContact CG1-CD1 4.23Å; V172-Y311 HydrophobicContact CG1-CE1 3.8Å; V172-Y311 HydrophobicContact CG1-CE2 4.45Å; V172-Y311 HydrophobicContact CG2-CD2 4.09Å; V172-Y311 HydrophobicContact CG2-CE2 3.84Å; V172-I343 HydrophobicContact CG1-CG2 4.08Å
173	L	97.3	Very high	96.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-57.1	-53.2	176.6	179.4	67.5	0	0	0	111.8	W169 I170 G175 E176 I177 I244 I344 C347 L348 M351	W169-L173 WeakPolarHBondContact O-CB 3.42Å; W169-L173 PolarHBondContact O-N 3.34Å; I170-L173 PolarHBondContact O-N 3.03Å; L173-G175 VanDerWaalsContact C-N 3.34Å; L173-E176 PolarHBondContact O-N 3.08Å; L173-I177 HydrophobicContact CG-CD1 4.28Å; L173-I177 WeakPolarHBondContact O-CG1 3.45Å; L173-I177 PolarHBondContact O-N 3.09Å; L173-I244 HydrophobicContact CD2-CD1 4.31Å; L173-I344 HydrophobicContact CD1-CB 4.3Å; L173-I344 HydrophobicContact CD1-CG1 4.21Å; L173-I344 HydrophobicContact CD1-CG2 3.89Å; L173-C347 HydrophobicContact CB-CB 4.38Å; L173-C347 HydrophobicContact CD1-CB 4.09Å; L173-L348 HydrophobicContact CD1-CD2 4.37Å; L173-L348 HydrophobicContact CD1-CG 4.46Å; L173-L348 HydrophobicContact CD2-CD2 4.35Å; L173-M351 HydrophobicContact CD2-CE 4.07Å
174	F	97.1	Very high	96.9	Very high	1 Å²	1	9.3 Å²	9.3	0%	0.004	5%	0.05	C	C	.	.	H	α-helix	trans	-72.1	-26.8	178.1	-79.1	-69.6	0	0	0	113.3	I170 E176 I177 T178 Y214 V217 Y226 L236 L240	I170-F174 HydrophobicContact CG2-CD2 3.72Å; I170-F174 HydrophobicContact CG2-CE2 3.9Å; I170-F174 WeakPolarHBondContact O-CD2 3.4Å; I170-F174 PolarHBondContact O-N 3.45Å; F174-E176 VanDerWaalsContact C-N 3.33Å; F174-I177 HydrophobicContact CD1-CD1 4.03Å; F174-I177 HydrophobicContact CE1-CD1 4.26Å; F174-I177 PolarHBondContact O-N 3.25Å; F174-T178 WeakPolarHBondContact O-CB 3.42Å; F174-T178 PolarHBondContact O-N 3.2Å; F174-T178 PolarHBondContact O-OG1 3.33Å; F174-Y214 HydrophobicContact CD1-CD1 4.41Å; F174-Y214 AromaticContact CD1-CE1 3.94Å; F174-Y214 HydrophobicContact CD1-CE1 3.94Å; F174-Y214 HydrophobicContact CE1-CD1 4.39Å; F174-Y214 HydrophobicContact CE1-CE1 4.34Å; F174-V217 HydrophobicContact CE1-CG1 3.99Å; F174-V217 HydrophobicContact CE2-CB 4.38Å; F174-V217 HydrophobicContact CE2-CG1 4.29Å; F174-V217 HydrophobicContact CE2-CG2 3.86Å; F174-V217 HydrophobicContact CZ-CB 3.78Å; F174-V217 HydrophobicContact CZ-CG1 3.67Å; F174-V217 HydrophobicContact CZ-CG2 3.76Å; F174-Y226 HydrophobicContact CD2-CE1 4.08Å; F174-Y226 HydrophobicContact CE2-CE1 4.05Å; F174-L236 HydrophobicContact CE2-CD2 3.49Å; F174-L236 VanDerWaalsContact CE2-CD2 3.49Å; F174-L236 HydrophobicContact CZ-CD2 3.93Å; F174-L240 HydrophobicContact CZ-CD2 4.43Å
175	G	96.6	Very high	96.9	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61	-43.3	171.9	0	0	0	0	0	111.5	R171 V172 L173 T178 R179	R171-G175 WeakPolarHBondContact O-CA 3.33Å; R171-G175 PolarHBondContact O-N 3.45Å; V172-G175 PolarHBondContact O-N 3.48Å; L173-G175 VanDerWaalsContact C-N 3.34Å; G175-T178 WeakPolarHBondContact O-CB 3.48Å; G175-T178 PolarHBondContact O-N 3.45Å; G175-R179 PolarHBondContact O-N 2.98Å
176	E	97.5	Very high	96.8	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-76.1	-33.8	177.4	-66.7	-60	144.5	0	0	113	V172 L173 F174 T178 R179 L180 R303 Y311 S340 I343 I344	V172-E176 PolarHBondContact O-N 2.85Å; L173-E176 PolarHBondContact O-N 3.08Å; F174-E176 VanDerWaalsContact C-N 3.33Å; E176-T178 VanDerWaalsContact C-N 3.28Å; E176-T178 PolarHBondContact O-N 3.33Å; E176-R179 WeakPolarHBondContact O-CB 3.46Å; E176-R179 PolarHBondContact O-N 3.42Å; E176-R179 VanDerWaalsContact O-N 3.14Å; E176-R179 IonicContact OE1-NE 2.8Å; E176-R179 PolarHBondContact OE1-NE 3.45Å; E176-R179 IonicContact OE1-NH2 2.88Å; E176-R179 IonicContact OE2-NE 3.94Å; E176-R179 PolarHBondContact OE2-NE 3.48Å; E176-L180 PolarHBondContact O-N 3.42Å; E176-R303 IonicContact OE1-CZ 3.82Å; E176-R303 IonicContact OE1-NH1 2.9Å; E176-R303 PolarHBondContact OE1-NH1 3.38Å; E176-R303 IonicContact OE2-NH1 3.19Å; E176-Y311 HydrophobicContact CG-CE1 4.34Å; E176-Y311 VanDerWaalsContact OE1-CE1 3.31Å; E176-Y311 WeakPolarHBondContact OE1-CE1 3.38Å; E176-Y311 PolarHBondContact OE1-OH 2.64Å; E176-S340 WeakPolarHBondContact OE2-CA 3.35Å; E176-S340 VanDerWaalsContact OE2-CB 3.27Å; E176-S340 WeakPolarHBondContact OE2-CB 3.24Å; E176-S340 PolarHBondContact OE2-OG 3.46Å; E176-I343 HydrophobicContact CG-CB 4.02Å; E176-I343 HydrophobicContact CG-CD1 4.03Å; E176-I343 HydrophobicContact CG-CG2 3.74Å; E176-I344 HydrophobicContact CB-CD1 4.35Å; E176-I344 HydrophobicContact CB-CG1 3.98Å
177	I	97.3	Very high	96.8	Very high	3 Å²	3	4.7 Å²	4.7	2%	0.015	2%	0.022	C	C	.	.	H	α-helix	trans	-61.4	-40.5	168	-64	167.8	0	0	0	110.3	L173 F174 R179 L180 L181 M210 Y214 I244 I344	L173-I177 HydrophobicContact CG-CD1 4.28Å; L173-I177 WeakPolarHBondContact O-CG1 3.45Å; L173-I177 PolarHBondContact O-N 3.09Å; F174-I177 HydrophobicContact CD1-CD1 4.03Å; F174-I177 HydrophobicContact CE1-CD1 4.26Å; F174-I177 PolarHBondContact O-N 3.25Å; I177-R179 VanDerWaalsContact C-N 3.29Å; I177-R179 PolarHBondContact O-N 3.41Å; I177-L180 WeakPolarHBondContact O-CB 3.33Å; I177-L180 PolarHBondContact O-N 3.3Å; I177-L181 HydrophobicContact CG2-CD1 4.49Å; I177-L181 WeakPolarHBondContact O-CG 3.41Å; I177-L181 PolarHBondContact O-N 3.44Å; I177-M210 HydrophobicContact CG2-CB 4.33Å; I177-M210 HydrophobicContact CG2-CG 4.18Å; I177-M210 HydrophobicContact CG2-SD 3.86Å; I177-Y214 HydrophobicContact CG2-CE1 3.75Å; I177-I244 HydrophobicContact CD1-CD1 4.21Å; I177-I244 HydrophobicContact CD1-CG2 4.46Å; I177-I344 HydrophobicContact CG1-CD1 3.86Å; I177-I344 HydrophobicContact CG1-CG1 4.37Å
178	T	97.7	Very high	96.8	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-63.7	-36.3	174.6	-52.7	0	0	0	0	111.6	M145 C146 F174 G175 E176 L181 N182 Y214	M145-T178 WeakPolarHBondContact CB-OG1 3.4Å; C146-T178 HydrophobicContact CB-CG2 4.47Å; F174-T178 WeakPolarHBondContact O-CB 3.42Å; F174-T178 PolarHBondContact O-N 3.2Å; F174-T178 PolarHBondContact O-OG1 3.33Å; G175-T178 WeakPolarHBondContact O-CB 3.48Å; G175-T178 PolarHBondContact O-N 3.45Å; E176-T178 VanDerWaalsContact C-N 3.28Å; E176-T178 PolarHBondContact O-N 3.33Å; T178-L181 WeakPolarHBondContact O-CB 3.37Å; T178-L181 PolarHBondContact O-N 3.41Å; T178-N182 WeakPolarHBondContact O-CB 3.49Å; T178-N182 PolarHBondContact O-N 3.15Å; T178-Y214 WeakPolarHBondContact CA-OH 3.45Å; T178-Y214 WeakPolarHBondContact CB-OH 3.5Å; T178-Y214 PolarHBondContact N-OH 3.19Å; T178-Y214 PolarHBondContact OG1-OH 3.26Å
179	R	97.7	Very high	96.7	Very high	2 Å²	2	3.9 Å²	3.9	1%	0.008	2%	0.02	C	C	.	.	H	α-helix	trans	-63.8	-44.2	174.8	-170.8	176	-52.4	-89.7	-6.7	111.8	G175 E176 I177 N182 H183 R303 E336 S340 E401 P403	G175-R179 PolarHBondContact O-N 2.98Å; E176-R179 WeakPolarHBondContact O-CB 3.46Å; E176-R179 PolarHBondContact O-N 3.42Å; E176-R179 VanDerWaalsContact O-N 3.14Å; E176-R179 IonicContact OE1-NE 2.8Å; E176-R179 PolarHBondContact OE1-NE 3.45Å; E176-R179 IonicContact OE1-NH2 2.88Å; E176-R179 IonicContact OE2-NE 3.94Å; E176-R179 PolarHBondContact OE2-NE 3.48Å; I177-R179 VanDerWaalsContact C-N 3.29Å; I177-R179 PolarHBondContact O-N 3.41Å; R179-N182 PolarHBondContact O-N 3.39Å; R179-H183 VanDerWaalsContact CG-CD2 3.45Å; R179-H183 WeakPolarHBondContact CG-CD2 3.29Å; R179-H183 VanDerWaalsContact CG-NE2 3.28Å; R179-H183 WeakPolarHBondContact CG-NE2 3.31Å; R179-H183 PolarHBondContact O-CD2 2.73Å; R179-H183 PolarHBondContact O-N 2.98Å; R179-R303 VanDerWaalsContact CZ-NH1 3.3Å; R179-E336 IonicContact NH1-OE2 3.58Å; R179-S340 WeakPolarHBondContact CD-OG 3.42Å; R179-E401 PolarHBondContact NH2-O 3.46Å; R179-P403 HydrophobicContact CB-CG 4.03Å; R179-P403 HydrophobicContact CG-CB 4.06Å; R179-P403 HydrophobicContact CG-CG 4.08Å
180	L	97.2	Very high	96.6	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-58.4	-49.1	171.7	-68.2	-178.4	0	0	0	111.6	E176 I177 N182 H183 I184 M210 F251 M337 L341 I344	E176-L180 PolarHBondContact O-N 3.42Å; I177-L180 WeakPolarHBondContact O-CB 3.33Å; I177-L180 PolarHBondContact O-N 3.3Å; L180-N182 VanDerWaalsContact C-N 3.26Å; L180-N182 PolarHBondContact O-N 3.22Å; L180-H183 PolarHBondContact O-N 3.31Å; L180-I184 WeakPolarHBondContact O-CB 3.48Å; L180-I184 WeakPolarHBondContact O-CG1 3.39Å; L180-I184 PolarHBondContact O-N 3.03Å; L180-M210 HydrophobicContact CB-CE 4.23Å; L180-M210 HydrophobicContact CB-SD 3.92Å; L180-M210 HydrophobicContact CD1-SD 4.46Å; L180-F251 HydrophobicContact CD1-CD1 4.47Å; L180-F251 HydrophobicContact CD1-CE1 4.32Å; L180-F251 HydrophobicContact CD2-CE1 3.95Å; L180-M337 HydrophobicContact CD2-CB 3.73Å; L180-M337 HydrophobicContact CD2-CG 3.93Å; L180-M337 WeakPolarHBondContact CD2-O 3.17Å; L180-L341 HydrophobicContact CD1-CD2 3.94Å; L180-L341 HydrophobicContact CD1-CG 4.44Å; L180-I344 HydrophobicContact CD1-CD1 3.6Å; L180-I344 HydrophobicContact CG-CD1 4.44Å
181	L	97	Very high	96.5	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-54.7	-41.2	177.5	-77.8	173	0	0	0	112.8	I177 T178 M185 R207 M210 F211 Y214	I177-L181 HydrophobicContact CG2-CD1 4.49Å; I177-L181 WeakPolarHBondContact O-CG 3.41Å; I177-L181 PolarHBondContact O-N 3.44Å; T178-L181 WeakPolarHBondContact O-CB 3.37Å; T178-L181 PolarHBondContact O-N 3.41Å; L181-M185 PolarHBondContact O-N 2.82Å; L181-R207 HydrophobicContact CD2-CB 4.46Å; L181-R207 HydrophobicContact CD2-CG 3.58Å; L181-M210 HydrophobicContact CD1-CB 4.49Å; L181-M210 HydrophobicContact CD2-CB 3.65Å; L181-M210 HydrophobicContact CD2-CE 3.66Å; L181-M210 HydrophobicContact CD2-CG 4.46Å; L181-M210 HydrophobicContact CD2-SD 4.09Å; L181-M210 HydrophobicContact CG-CB 4.12Å; L181-M210 HydrophobicContact CG-CE 4Å; L181-M210 HydrophobicContact CG-SD 3.97Å; L181-F211 HydrophobicContact CD1-CE1 4.49Å; L181-F211 HydrophobicContact CD2-CD1 4.45Å; L181-F211 HydrophobicContact CD2-CE1 4.33Å; L181-Y214 HydrophobicContact CD1-CE1 3.83Å; L181-Y214 HydrophobicContact CD1-CE2 3.98Å; L181-Y214 VanDerWaalsContact CD1-CZ 3.5Å; L181-Y214 WeakPolarHBondContact CD1-OH 3.47Å
182	N	97.1	Very high	96.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-77.4	-46.1	-177.8	-158.2	-6.5	0	0	0	112.2	D140 V142 T178 R179 L180 I184 M185 A186 P403 D455	D140-N182 PolarHBondContact OD2-ND2 3.03Å; V142-N182 HydrophobicContact CG1-CB 4.04Å; V142-N182 WeakPolarHBondContact CG1-OD1 3.14Å; T178-N182 WeakPolarHBondContact O-CB 3.49Å; T178-N182 PolarHBondContact O-N 3.15Å; R179-N182 PolarHBondContact O-N 3.39Å; L180-N182 VanDerWaalsContact C-N 3.26Å; L180-N182 PolarHBondContact O-N 3.22Å; N182-I184 VanDerWaalsContact C-N 3.32Å; N182-I184 PolarHBondContact O-N 3.09Å; N182-M185 WeakPolarHBondContact O-CB 3.35Å; N182-M185 PolarHBondContact O-N 3.19Å; N182-M185 VanDerWaalsContact O-N 3.14Å; N182-A186 WeakPolarHBondContact O-CB 3.37Å; N182-A186 PolarHBondContact O-N 2.79Å; N182-P403 HydrophobicContact CB-CB 3.65Å; N182-P403 HydrophobicContact CB-CG 3.82Å; N182-D455 PolarHBondContact OD1-OD2 2.84Å
183	H	97.1	Very high	96.2	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64.8	-35.7	177.4	-68.8	-36.9	0	0	0	112.9	R179 L180 A186 V187 E336 M337 P403	R179-H183 VanDerWaalsContact CG-CD2 3.45Å; R179-H183 WeakPolarHBondContact CG-CD2 3.29Å; R179-H183 VanDerWaalsContact CG-NE2 3.28Å; R179-H183 WeakPolarHBondContact CG-NE2 3.31Å; R179-H183 PolarHBondContact O-CD2 2.73Å; R179-H183 PolarHBondContact O-N 2.98Å; L180-H183 PolarHBondContact O-N 3.31Å; H183-A186 PolarHBondContact O-N 2.78Å; H183-V187 WeakPolarHBondContact O-CB 3.46Å; H183-V187 VanDerWaalsContact O-CG2 3.32Å; H183-V187 WeakPolarHBondContact O-CG2 3.35Å; H183-V187 PolarHBondContact O-N 3.46Å; H183-E336 IonicContact CE1-OE2 2.72Å; H183-E336 PolarHBondContact CE1-OE2 2.76Å; H183-E336 IonicContact NE2-OE2 2.72Å; H183-E336 PolarHBondContact NE2-OE2 3.08Å; H183-E336 VanDerWaalsContact NE2-OE2 3.08Å; H183-M337 HydrophobicContact CB-CG 3.55Å; H183-M337 HydrophobicContact CB-SD 3.81Å; H183-P403 PolarHBondContact CE1-O 3.33Å
184	I	96.3	Very high	96	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-58.1	-51.1	171	-73.1	171.7	0	0	0	110	L180 N182 A186 T188 L203 M210 F251 M337	L180-I184 WeakPolarHBondContact O-CB 3.48Å; L180-I184 WeakPolarHBondContact O-CG1 3.39Å; L180-I184 PolarHBondContact O-N 3.03Å; N182-I184 VanDerWaalsContact C-N 3.32Å; N182-I184 PolarHBondContact O-N 3.09Å; I184-A186 PolarHBondContact O-N 3.19Å; I184-T188 HydrophobicContact CG2-CG2 4.35Å; I184-T188 VanDerWaalsContact O-CB 3.31Å; I184-T188 WeakPolarHBondContact O-CB 3.04Å; I184-T188 VanDerWaalsContact O-CG2 3.26Å; I184-T188 WeakPolarHBondContact O-CG2 3.19Å; I184-T188 PolarHBondContact O-N 2.72Å; I184-T188 PolarHBondContact O-OG1 3.14Å; I184-L203 HydrophobicContact CG2-CB 3.59Å; I184-L203 HydrophobicContact CG2-CD1 4.36Å; I184-M210 HydrophobicContact CD1-CE 3.35Å; I184-F251 HydrophobicContact CD1-CE2 3.62Å; I184-F251 HydrophobicContact CD1-CZ 3.47Å; I184-F251 VanDerWaalsContact CD1-CZ 3.47Å; I184-F251 HydrophobicContact CG1-CE2 4.46Å; I184-F251 HydrophobicContact CG1-CZ 3.96Å; I184-M337 HydrophobicContact CG1-SD 3.95Å
185	M	95.4	Very high	95.8	Very high	35 Å²	35	12.5 Å²	12.5	17%	0.172	8%	0.08	C	C	.	.	H	α-helix	trans	-57.2	-52.5	177.7	-179.7	64	81.6	0	0	110.4	V142 L181 N182 V187 T188 T189 F204	V142-M185 HydrophobicContact CG1-CB 3.86Å; V142-M185 HydrophobicContact CG1-CG 4.08Å; V142-M185 HydrophobicContact CG2-CG 4.34Å; L181-M185 PolarHBondContact O-N 2.82Å; N182-M185 WeakPolarHBondContact O-CB 3.35Å; N182-M185 PolarHBondContact O-N 3.19Å; N182-M185 VanDerWaalsContact O-N 3.14Å; M185-V187 PolarHBondContact O-N 2.91Å; M185-T188 PolarHBondContact O-N 3.39Å; M185-T188 PolarHBondContact O-OG1 3.42Å; M185-T188 VanDerWaalsContact O-OG1 3.13Å; M185-T189 HydrophobicContact CG-CG2 4.2Å; M185-T189 WeakPolarHBondContact O-CB 3.34Å; M185-T189 VanDerWaalsContact O-CG2 3.31Å; M185-T189 WeakPolarHBondContact O-CG2 3.36Å; M185-T189 PolarHBondContact O-N 3.36Å; M185-T189 PolarHBondContact O-OG1 2.96Å; M185-T189 HydrophobicContact SD-CG2 3.42Å; M185-T189 WeakPolarHBondContact SD-CG2 2.95Å; M185-F204 HydrophobicContact CE-CE1 4.41Å; M185-F204 HydrophobicContact CE-CZ 3.83Å; M185-F204 HydrophobicContact SD-CE1 4.15Å; M185-F204 HydrophobicContact SD-CZ 3.71Å
186	A	95.2	Very high	95.6	Very high	3 Å²	3	13.6 Å²	13.6	3%	0.025	9%	0.088	C	C	.	.	H	α-helix	trans	-56.5	-48.7	-177.8	0	0	0	0	0	113	N182 H183 I184 T189 H190 D455	N182-A186 WeakPolarHBondContact O-CB 3.37Å; N182-A186 PolarHBondContact O-N 2.79Å; H183-A186 PolarHBondContact O-N 2.78Å; I184-A186 PolarHBondContact O-N 3.19Å; A186-T189 PolarHBondContact O-OG1 2.73Å; A186-H190 WeakPolarHBondContact O-CB 3.31Å; A186-H190 PolarHBondContact O-N 3.05Å; A186-H190 VanDerWaalsContact O-N 3.12Å; A186-D455 HydrophobicContact CB-CB 3.87Å; A186-D455 WeakPolarHBondContact CB-OD1 3.23Å
187	V	96.1	Very high	95.4	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.018	12%	0.117	C	C	.	.	H	α-helix	trans	-70	-42.8	-177.9	171.5	0	0	0	0	111.1	H183 M185 A191 L258 L262 Y330 R333	H183-V187 WeakPolarHBondContact O-CB 3.46Å; H183-V187 VanDerWaalsContact O-CG2 3.32Å; H183-V187 WeakPolarHBondContact O-CG2 3.35Å; H183-V187 PolarHBondContact O-N 3.46Å; M185-V187 PolarHBondContact O-N 2.91Å; V187-A191 VanDerWaalsContact O-CB 3.29Å; V187-A191 WeakPolarHBondContact O-CB 3.27Å; V187-A191 PolarHBondContact O-N 2.9Å; V187-L258 HydrophobicContact CG1-CD2 4.2Å; V187-L262 HydrophobicContact CG1-CD1 4.34Å; V187-Y330 HydrophobicContact CG1-CD2 4.06Å; V187-Y330 HydrophobicContact CG1-CE2 3.64Å; V187-Y330 HydrophobicContact CG2-CD2 4.3Å; V187-Y330 HydrophobicContact CG2-CE2 4.49Å; V187-R333 HydrophobicContact CG2-CB 4.05Å
188	T	95.6	Very high	95.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-72.3	-39	-177.3	53.2	0	0	0	0	113.3	I184 M185 A191 L192 L203 F204	I184-T188 HydrophobicContact CG2-CG2 4.35Å; I184-T188 VanDerWaalsContact O-CB 3.31Å; I184-T188 WeakPolarHBondContact O-CB 3.04Å; I184-T188 VanDerWaalsContact O-CG2 3.26Å; I184-T188 WeakPolarHBondContact O-CG2 3.19Å; I184-T188 PolarHBondContact O-N 2.72Å; I184-T188 PolarHBondContact O-OG1 3.14Å; M185-T188 PolarHBondContact O-N 3.39Å; M185-T188 PolarHBondContact O-OG1 3.42Å; M185-T188 VanDerWaalsContact O-OG1 3.13Å; T188-A191 PolarHBondContact O-N 2.8Å; T188-L192 WeakPolarHBondContact O-CB 3.39Å; T188-L192 PolarHBondContact O-N 3.09Å; T188-L203 HydrophobicContact CG2-CB 3.84Å; T188-L203 HydrophobicContact CG2-CD1 3.52Å; T188-L203 HydrophobicContact CG2-CG 4.2Å; T188-F204 WeakPolarHBondContact OG1-CE1 3.4Å
189	T	94.3	Very high	95.1	Very high	21 Å²	21	22.4 Å²	22.4	13%	0.129	14%	0.136	C	C	.	.	H	α-helix	trans	-70.7	-37.6	175.9	57.8	0	0	0	0	111.4	M185 A186 A191 L192 D193	M185-T189 HydrophobicContact CG-CG2 4.2Å; M185-T189 WeakPolarHBondContact O-CB 3.34Å; M185-T189 VanDerWaalsContact O-CG2 3.31Å; M185-T189 WeakPolarHBondContact O-CG2 3.36Å; M185-T189 PolarHBondContact O-N 3.36Å; M185-T189 PolarHBondContact O-OG1 2.96Å; M185-T189 HydrophobicContact SD-CG2 3.42Å; M185-T189 WeakPolarHBondContact SD-CG2 2.95Å; A186-T189 PolarHBondContact O-OG1 2.73Å; T189-A191 VanDerWaalsContact C-N 3.33Å; T189-L192 WeakPolarHBondContact O-CB 3.49Å; T189-L192 PolarHBondContact O-N 2.9Å; T189-D193 PolarHBondContact O-N 3.13Å
190	H	95.2	Very high	94.9	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.028	14%	0.14	C	C	.	.	H	α-helix	trans	-62.5	-41.1	171.3	-177.7	50.8	0	0	0	111.9	A186 D193 L194 W268 A449	A186-H190 WeakPolarHBondContact O-CB 3.31Å; A186-H190 PolarHBondContact O-N 3.05Å; A186-H190 VanDerWaalsContact O-N 3.12Å; H190-D193 PolarHBondContact O-N 3.35Å; H190-L194 WeakPolarHBondContact O-CG 3.34Å; H190-L194 PolarHBondContact O-N 3.38Å; H190-W268 AromaticContact CD2-CH2 3.4Å; H190-W268 WeakPolarHBondContact CD2-CH2 3.31Å; H190-W268 AromaticContact CD2-CZ2 3.69Å; H190-W268 AromaticContact NE2-CH2 3.79Å; H190-W268 AromaticContact NE2-CZ2 4Å; H190-A449 PolarHBondContact CE1-O 3.32Å
191	A	95.3	Very high	94.9	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.7	-44.4	174.1	0	0	0	0	0	111.9	V187 T188 T189 D193 L194 G195 A196 L262 W268	V187-A191 VanDerWaalsContact O-CB 3.29Å; V187-A191 WeakPolarHBondContact O-CB 3.27Å; V187-A191 PolarHBondContact O-N 2.9Å; T188-A191 PolarHBondContact O-N 2.8Å; T189-A191 VanDerWaalsContact C-N 3.33Å; A191-D193 PolarHBondContact O-N 2.9Å; A191-L194 PolarHBondContact O-N 3.42Å; A191-G195 PolarHBondContact O-N 3.11Å; A191-G195 VanDerWaalsContact O-N 3.14Å; A191-A196 CarbonylContact C-O 3.56Å; A191-A196 HydrophobicContact CB-CB 4.09Å; A191-A196 WeakPolarHBondContact O-CA 3.31Å; A191-A196 WeakPolarHBondContact O-CB 3.31Å; A191-A196 PolarHBondContact O-N 3.4Å; A191-L262 HydrophobicContact CB-CD1 4.22Å; A191-L262 HydrophobicContact CB-CD2 4.43Å; A191-W268 HydrophobicContact CB-CH2 4.18Å; A191-W268 HydrophobicContact CB-CZ3 4.2Å
192	L	95.4	Very high	94.8	Very high	68 Å²	68	35.4 Å²	35.4	36%	0.356	19%	0.19	S	C	.	.	H	α-helix	trans	-58.5	-46.3	178	-178.2	71.9	0	0	0	111.8	T188 T189 L194 G195 A196 M197 L200	T188-L192 WeakPolarHBondContact O-CB 3.39Å; T188-L192 PolarHBondContact O-N 3.09Å; T189-L192 WeakPolarHBondContact O-CB 3.49Å; T189-L192 PolarHBondContact O-N 2.9Å; L192-L194 VanDerWaalsContact C-N 3.27Å; L192-L194 PolarHBondContact O-N 2.7Å; L192-G195 WeakPolarHBondContact O-CA 3.44Å; L192-G195 PolarHBondContact O-N 2.87Å; L192-A196 PolarHBondContact N-O 3.23Å; L192-M197 HydrophobicContact CD1-CB 4.31Å; L192-M197 HydrophobicContact CD1-CG 3.85Å; L192-L200 HydrophobicContact CB-CD1 4.12Å; L192-L200 HydrophobicContact CD1-CD1 4.42Å; L192-L200 HydrophobicContact CD2-CD1 3.83Å; L192-L200 HydrophobicContact CG-CD1 4.34Å
193	D	92.6	Very high	94.7	Very high	33 Å²	33	35.6 Å²	35.6	18%	0.176	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-34.5	179.7	-80	-4.7	0	0	0	113.7	H92 T189 H190 A191 V448	H92-D193 IonicContact CD2-OD1 2.72Å; H92-D193 IonicContact CD2-OD2 2.7Å; H92-D193 PolarHBondContact CD2-OD2 3.34Å; H92-D193 VanDerWaalsContact CD2-OD2 3.24Å; H92-D193 IonicContact CE1-OD1 3.82Å; H92-D193 PolarHBondContact CE1-OD1 3.44Å; H92-D193 IonicContact CE1-OD2 3.87Å; H92-D193 IonicContact NE2-OD1 3.08Å; H92-D193 PolarHBondContact NE2-OD1 3.21Å; H92-D193 IonicContact NE2-OD2 2.64Å; H92-D193 PolarHBondContact NE2-OD2 3.37Å; T189-D193 PolarHBondContact O-N 3.13Å; H190-D193 PolarHBondContact O-N 3.35Å; A191-D193 PolarHBondContact O-N 2.9Å; D193-V448 HydrophobicContact CB-CG1 3.74Å
194	L	92.1	Very high	94.7	Very high	34 Å²	34	38.7 Å²	38.7	18%	0.178	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-3.6	176.1	-65.6	177.7	0	0	0	112.6	H190 A191 L192 W268 T272 A449	H190-L194 WeakPolarHBondContact O-CG 3.34Å; H190-L194 PolarHBondContact O-N 3.38Å; A191-L194 PolarHBondContact O-N 3.42Å; L192-L194 VanDerWaalsContact C-N 3.27Å; L192-L194 PolarHBondContact O-N 2.7Å; L194-W268 HydrophobicContact CB-CZ3 3.94Å; L194-W268 HydrophobicContact CD1-CE3 4Å; L194-W268 HydrophobicContact CD1-CH2 3.71Å; L194-W268 HydrophobicContact CD1-CZ3 3.34Å; L194-W268 HydrophobicContact CG-CZ3 4.2Å; L194-T272 HydrophobicContact CD1-CG2 4.02Å; L194-A449 HydrophobicContact CD1-CB 4.5Å; L194-A449 HydrophobicContact CD2-CB 3.84Å
195	G	92.3	Very high	94.7	Very high	55 Å²	55	43.2 Å²	43.2	57%	0.567	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	106.2	-2.5	173	0	0	0	0	0	115.4	A191 L192 M197	A191-G195 PolarHBondContact O-N 3.11Å; A191-G195 VanDerWaalsContact O-N 3.14Å; L192-G195 WeakPolarHBondContact O-CA 3.44Å; L192-G195 PolarHBondContact O-N 2.87Å; G195-M197 PolarHBondContact O-N 3.12Å
196	A	93.2	Very high	94.7	Very high	22 Å²	22	41.7 Å²	41.7	18%	0.182	22%	0.218	C	C	.	.			trans	-85.2	93.2	178.1	0	0	0	0	0	110.9	A191 L192 P199 M261 L262	A191-A196 CarbonylContact C-O 3.56Å; A191-A196 HydrophobicContact CB-CB 4.09Å; A191-A196 WeakPolarHBondContact O-CA 3.31Å; A191-A196 WeakPolarHBondContact O-CB 3.31Å; A191-A196 PolarHBondContact O-N 3.4Å; L192-A196 PolarHBondContact N-O 3.23Å; A196-P199 WeakPolarHBondContact O-CD 3.32Å; A196-M261 HydrophobicContact CB-CE 4.18Å; A196-L262 HydrophobicContact CB-CD2 4.18Å
197	M	93.6	Very high	94.8	Very high	122 Å²	122	42.6 Å²	42.6	60%	0.601	22%	0.221	S	C	*	.			trans	-80.1	-33.1	-174.3	-64.2	-174.1	-75.6	0	0	114.8	L192 G195 F201	L192-M197 HydrophobicContact CD1-CB 4.31Å; L192-M197 HydrophobicContact CD1-CG 3.85Å; G195-M197 PolarHBondContact O-N 3.12Å; M197-F201 WeakPolarHBondContact O-CD2 3.42Å
198	T	94.4	Very high	94.8	Very high	67 Å²	67	46.6 Å²	46.6	41%	0.411	24%	0.239	S	C	.	.	H	α-helix	trans	-65.9	-39.1	-170.5	51.5	0	0	0	0	115.4	L200 F201 W202 M261	T198-L200 PolarHBondContact O-N 3.47Å; T198-F201 PolarHBondContact O-N 3.31Å; T198-W202 PolarHBondContact O-N 3.43Å; T198-M261 WeakPolarHBondContact OG1-CE 3.44Å
199	P	94.8	Very high	94.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-28.8	-176.9	-22.6	36	0	0	0	113.3	A196 W202 L203 L258 M261 L262	A196-P199 WeakPolarHBondContact O-CD 3.32Å; P199-W202 PolarHBondContact O-N 2.85Å; P199-L203 PolarHBondContact O-N 3.08Å; P199-L258 HydrophobicContact CB-CD1 3.65Å; P199-L258 HydrophobicContact CG-CD1 4.47Å; P199-M261 HydrophobicContact CG-CE 3.4Å; P199-M261 VanDerWaalsContact CG-CE 3.4Å; P199-M261 HydrophobicContact CG-SD 3.89Å; P199-L262 HydrophobicContact CG-CD1 4.34Å; P199-L262 HydrophobicContact CG-CD2 4.44Å; P199-L262 HydrophobicContact CG-CG 4.4Å
200	L	94.1	Very high	95	Very high	19 Å²	19	48.9 Å²	48.9	10%	0.099	25%	0.248	C	C	.	.	H	α-helix	trans	-59.9	-47.1	177.3	-176.6	148.8	0	0	0	111.3	L192 T198 F204	L192-L200 HydrophobicContact CB-CD1 4.12Å; L192-L200 HydrophobicContact CD1-CD1 4.42Å; L192-L200 HydrophobicContact CD2-CD1 3.83Å; L192-L200 HydrophobicContact CG-CD1 4.34Å; T198-L200 PolarHBondContact O-N 3.47Å; L200-F204 HydrophobicContact CD1-CZ 4.33Å; L200-F204 HydrophobicContact CD2-CD2 3.97Å; L200-F204 HydrophobicContact CD2-CE2 4.06Å; L200-F204 HydrophobicContact CD2-CG 4.23Å; L200-F204 HydrophobicContact CD2-CZ 4.41Å; L200-F204 HydrophobicContact CG-CD1 4.25Å; L200-F204 HydrophobicContact CG-CD2 4.42Å; L200-F204 HydrophobicContact CG-CE1 4.11Å; L200-F204 HydrophobicContact CG-CE2 4.27Å; L200-F204 HydrophobicContact CG-CG 4.41Å; L200-F204 HydrophobicContact CG-CZ 4.11Å; L200-F204 WeakPolarHBondContact O-CB 3.33Å; L200-F204 VanDerWaalsContact O-CD1 3.31Å; L200-F204 WeakPolarHBondContact O-CD1 3.34Å; L200-F204 VanDerWaalsContact O-CG 3.31Å; L200-F204 WeakPolarHBondContact O-CG 3.28Å; L200-F204 PolarHBondContact O-N 3.48Å
201	F	96.1	Very high	95.1	Very high	141 Å²	141	49 Å²	49	62%	0.618	25%	0.248	S	C	*	.	H	α-helix	trans	-68.9	-37.2	-178.3	-63.5	-69.5	0	0	0	112.5	M197 T198 E205	M197-F201 WeakPolarHBondContact O-CD2 3.42Å; T198-F201 PolarHBondContact O-N 3.31Å; F201-E205 PolarHBondContact O-N 3.33Å
202	W	94.9	Very high	95.2	Very high	115 Å²	115	54 Å²	54	44%	0.436	27%	0.271	S	S	.	.	H	α-helix	trans	-65.5	-49.3	178.4	-61.9	-13.1	0	0	0	111.8	T198 P199 E205	T198-W202 PolarHBondContact O-N 3.43Å; P199-W202 PolarHBondContact O-N 2.85Å; W202-E205 WeakPolarHBondContact O-CB 3.37Å; W202-E205 PolarHBondContact O-N 2.84Å
203	L	95.9	Very high	95.2	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-80.2	-20.7	-177.3	-64.4	176.2	0	0	0	113.1	I184 T188 P199 E205 E206 R207 F251 L258	I184-L203 HydrophobicContact CG2-CB 3.59Å; I184-L203 HydrophobicContact CG2-CD1 4.36Å; T188-L203 HydrophobicContact CG2-CB 3.84Å; T188-L203 HydrophobicContact CG2-CD1 3.52Å; T188-L203 HydrophobicContact CG2-CG 4.2Å; P199-L203 PolarHBondContact O-N 3.08Å; L203-E205 VanDerWaalsContact C-N 3.26Å; L203-E205 PolarHBondContact O-N 3.49Å; L203-E206 PolarHBondContact O-N 3.16Å; L203-R207 WeakPolarHBondContact O-CB 3.46Å; L203-R207 PolarHBondContact O-N 3.48Å; L203-F251 HydrophobicContact CD2-CE2 4.38Å; L203-L258 HydrophobicContact CD1-CD1 3.66Å; L203-L258 HydrophobicContact CD1-CD2 3.7Å; L203-L258 HydrophobicContact CD1-CG 4.15Å; L203-L258 HydrophobicContact CG-CD1 4.47Å
204	F	96.5	Very high	95.4	Very high	66 Å²	66	49.7 Å²	49.7	29%	0.289	25%	0.248	S	C	.	.	H	α-helix	trans	-70.3	-25.5	172.5	-85.2	28.7	0	0	0	112.3	M185 T188 L200 R207 E208	M185-F204 HydrophobicContact CE-CE1 4.41Å; M185-F204 HydrophobicContact CE-CZ 3.83Å; M185-F204 HydrophobicContact SD-CE1 4.15Å; M185-F204 HydrophobicContact SD-CZ 3.71Å; T188-F204 WeakPolarHBondContact OG1-CE1 3.4Å; L200-F204 HydrophobicContact CD1-CZ 4.33Å; L200-F204 HydrophobicContact CD2-CD2 3.97Å; L200-F204 HydrophobicContact CD2-CE2 4.06Å; L200-F204 HydrophobicContact CD2-CG 4.23Å; L200-F204 HydrophobicContact CD2-CZ 4.41Å; L200-F204 HydrophobicContact CG-CD1 4.25Å; L200-F204 HydrophobicContact CG-CD2 4.42Å; L200-F204 HydrophobicContact CG-CE1 4.11Å; L200-F204 HydrophobicContact CG-CE2 4.27Å; L200-F204 HydrophobicContact CG-CG 4.41Å; L200-F204 HydrophobicContact CG-CZ 4.11Å; L200-F204 WeakPolarHBondContact O-CB 3.33Å; L200-F204 VanDerWaalsContact O-CD1 3.31Å; L200-F204 WeakPolarHBondContact O-CD1 3.34Å; L200-F204 VanDerWaalsContact O-CG 3.31Å; L200-F204 WeakPolarHBondContact O-CG 3.28Å; L200-F204 PolarHBondContact O-N 3.48Å; F204-R207 WeakPolarHBondContact O-CB 3.03Å; F204-R207 PolarHBondContact O-N 3.28Å; F204-E208 PolarHBondContact O-N 2.87Å
205	E	96.7	Very high	95.6	Very high	94 Å²	94	52.5 Å²	52.5	44%	0.439	26%	0.261	S	S	.	.	H	α-helix	trans	-62.3	-46.6	168.1	-167	-158.7	136.4	0	0	110.8	F201 W202 L203 R207 E208 K209	F201-E205 PolarHBondContact O-N 3.33Å; W202-E205 WeakPolarHBondContact O-CB 3.37Å; W202-E205 PolarHBondContact O-N 2.84Å; L203-E205 VanDerWaalsContact C-N 3.26Å; L203-E205 PolarHBondContact O-N 3.49Å; E205-R207 VanDerWaalsContact C-N 3.31Å; E205-R207 PolarHBondContact O-N 2.67Å; E205-E208 WeakPolarHBondContact O-CB 3.3Å; E205-E208 PolarHBondContact O-N 3.13Å; E205-K209 PolarHBondContact O-N 3.03Å; E205-K209 WeakPolarHBondContact OE1-CE 3.29Å; E205-K209 IonicContact OE1-NZ 3.73Å; E205-K209 PolarHBondContact OE1-NZ 3.41Å
206	E	95.7	Very high	95.8	Very high	3 Å²	3	54.4 Å²	54.4	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-67.3	-34.3	176.7	-57.7	-54.7	148.7	0	0	112	L203 E208 K209 M210 F247 F251 R254	L203-E206 PolarHBondContact O-N 3.16Å; E206-E208 VanDerWaalsContact C-N 3.3Å; E206-E208 PolarHBondContact O-N 3.47Å; E206-K209 VanDerWaalsContact CD-NZ 3.34Å; E206-K209 PolarHBondContact O-N 3.38Å; E206-K209 IonicContact OE1-NZ 3.11Å; E206-K209 PolarHBondContact OE1-NZ 3.09Å; E206-K209 WeakPolarHBondContact OE2-CD 3.33Å; E206-K209 IonicContact OE2-NZ 3.34Å; E206-K209 PolarHBondContact OE2-NZ 3.38Å; E206-M210 PolarHBondContact O-N 3.28Å; E206-M210 VanDerWaalsContact O-N 3.16Å; E206-F247 HydrophobicContact CB-CE2 4.14Å; E206-F247 HydrophobicContact CB-CZ 4.49Å; E206-F247 WeakPolarHBondContact OE2-CE2 3.4Å; E206-F251 HydrophobicContact CB-CD2 3.83Å; E206-F251 HydrophobicContact CB-CE2 3.75Å; E206-F251 HydrophobicContact CG-CD2 3.94Å; E206-F251 HydrophobicContact CG-CE2 4.11Å; E206-R254 HydrophobicContact CG-CB 4.38Å; E206-R254 HydrophobicContact CG-CG 3.99Å; E206-R254 IonicContact OE1-NE 3.44Å; E206-R254 PolarHBondContact OE1-NE 2.76Å
207	R	95.9	Very high	95.9	Very high	22 Å²	22	53.6 Å²	53.6	8%	0.083	24%	0.243	C	C	.	.	H	α-helix	trans	-61.9	-37.7	172.4	-171.4	160.6	-171.5	-85.7	-3.2	112.3	L181 L203 F204 E205 M210 F211	L181-R207 HydrophobicContact CD2-CB 4.46Å; L181-R207 HydrophobicContact CD2-CG 3.58Å; L203-R207 WeakPolarHBondContact O-CB 3.46Å; L203-R207 PolarHBondContact O-N 3.48Å; F204-R207 WeakPolarHBondContact O-CB 3.03Å; F204-R207 PolarHBondContact O-N 3.28Å; E205-R207 VanDerWaalsContact C-N 3.31Å; E205-R207 PolarHBondContact O-N 2.67Å; R207-M210 PolarHBondContact O-N 3.3Å; R207-F211 HydrophobicContact CG-CE2 4.26Å; R207-F211 PolarHBondContact O-N 3.2Å
208	E	97.3	Very high	95.9	Very high	87 Å²	87	49.5 Å²	49.5	41%	0.407	23%	0.227	S	C	.	.	H	α-helix	trans	-66.1	-42.1	177	-170.5	69	175.6	0	0	111.8	F204 E205 E206 M210 F211 E212 R221	F204-E208 PolarHBondContact O-N 2.87Å; E205-E208 WeakPolarHBondContact O-CB 3.3Å; E205-E208 PolarHBondContact O-N 3.13Å; E206-E208 VanDerWaalsContact C-N 3.3Å; E206-E208 PolarHBondContact O-N 3.47Å; E208-M210 VanDerWaalsContact C-N 3.27Å; E208-M210 PolarHBondContact O-N 2.93Å; E208-F211 WeakPolarHBondContact O-CA 3.36Å; E208-F211 WeakPolarHBondContact O-CB 3.44Å; E208-F211 PolarHBondContact O-N 3.42Å; E208-E212 PolarHBondContact O-N 2.99Å; E208-R221 IonicContact OE1-CZ 3.96Å; E208-R221 IonicContact OE1-NH1 3.24Å; E208-R221 PolarHBondContact OE1-NH1 3.19Å; E208-R221 IonicContact OE1-NH2 2.74Å; E208-R221 PolarHBondContact OE1-NH2 2.7Å; E208-R221 IonicContact OE2-CZ 2.73Å; E208-R221 IonicContact OE2-NH2 3.24Å; E208-R221 PolarHBondContact OE2-NH2 2.91Å
209	K	96.4	Very high	95.9	Very high	69 Å²	69	49.3 Å²	49.3	30%	0.3	24%	0.238	S	C	.	.	H	α-helix	trans	-59.5	-39.7	174.2	-63.4	171.3	-164.9	161.4	0	111.4	E205 E206 E212 F213 F247	E205-K209 PolarHBondContact O-N 3.03Å; E205-K209 WeakPolarHBondContact OE1-CE 3.29Å; E205-K209 IonicContact OE1-NZ 3.73Å; E205-K209 PolarHBondContact OE1-NZ 3.41Å; E206-K209 VanDerWaalsContact CD-NZ 3.34Å; E206-K209 PolarHBondContact O-N 3.38Å; E206-K209 IonicContact OE1-NZ 3.11Å; E206-K209 PolarHBondContact OE1-NZ 3.09Å; E206-K209 WeakPolarHBondContact OE2-CD 3.33Å; E206-K209 IonicContact OE2-NZ 3.34Å; E206-K209 PolarHBondContact OE2-NZ 3.38Å; K209-E212 VanDerWaalsContact O-CB 3.3Å; K209-E212 WeakPolarHBondContact O-CB 3.5Å; K209-E212 PolarHBondContact O-N 3.37Å; K209-F213 PolarHBondContact O-N 2.77Å; K209-F247 HydrophobicContact CB-CD2 4.2Å; K209-F247 HydrophobicContact CB-CE2 4.25Å; K209-F247 HydrophobicContact CD-CD2 4.38Å
210	M	96.3	Very high	95.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.3	-33.3	174	-71.8	-170	-78	0	0	113.1	I177 L180 L181 I184 E206 R207 E208 E212 F213 Y214 F247	I177-M210 HydrophobicContact CG2-CB 4.33Å; I177-M210 HydrophobicContact CG2-CG 4.18Å; I177-M210 HydrophobicContact CG2-SD 3.86Å; L180-M210 HydrophobicContact CB-CE 4.23Å; L180-M210 HydrophobicContact CB-SD 3.92Å; L180-M210 HydrophobicContact CD1-SD 4.46Å; L181-M210 HydrophobicContact CD1-CB 4.49Å; L181-M210 HydrophobicContact CD2-CB 3.65Å; L181-M210 HydrophobicContact CD2-CE 3.66Å; L181-M210 HydrophobicContact CD2-CG 4.46Å; L181-M210 HydrophobicContact CD2-SD 4.09Å; L181-M210 HydrophobicContact CG-CB 4.12Å; L181-M210 HydrophobicContact CG-CE 4Å; L181-M210 HydrophobicContact CG-SD 3.97Å; I184-M210 HydrophobicContact CD1-CE 3.35Å; E206-M210 PolarHBondContact O-N 3.28Å; E206-M210 VanDerWaalsContact O-N 3.16Å; R207-M210 PolarHBondContact O-N 3.3Å; E208-M210 VanDerWaalsContact C-N 3.27Å; E208-M210 PolarHBondContact O-N 2.93Å; M210-E212 VanDerWaalsContact C-N 3.3Å; M210-E212 PolarHBondContact O-N 3.34Å; M210-F213 HydrophobicContact CG-CD2 4.43Å; M210-F213 WeakPolarHBondContact O-CB 3.41Å; M210-F213 PolarHBondContact O-N 3.25Å; M210-Y214 VanDerWaalsContact O-CD1 3.29Å; M210-Y214 WeakPolarHBondContact O-CD1 3.48Å; M210-Y214 PolarHBondContact O-N 2.92Å; M210-F247 HydrophobicContact CE-CZ 4.13Å; M210-F247 HydrophobicContact CG-CE1 3.86Å; M210-F247 HydrophobicContact CG-CE2 4.11Å; M210-F247 HydrophobicContact CG-CZ 3.55Å; M210-F247 HydrophobicContact SD-CE1 3.98Å; M210-F247 HydrophobicContact SD-CZ 3.83Å
211	F	97.1	Very high	95.8	Very high	10 Å²	10	55.1 Å²	55.1	4%	0.044	27%	0.266	C	S	.	.	H	α-helix	trans	-66.9	-30.1	171.6	-73.9	-33.2	0	0	0	113.3	M144 L181 R207 E208 F213 Y214 E215 R221 M222	M144-F211 HydrophobicContact CE-CE1 4.12Å; L181-F211 HydrophobicContact CD1-CE1 4.49Å; L181-F211 HydrophobicContact CD2-CD1 4.45Å; L181-F211 HydrophobicContact CD2-CE1 4.33Å; R207-F211 HydrophobicContact CG-CE2 4.26Å; R207-F211 PolarHBondContact O-N 3.2Å; E208-F211 WeakPolarHBondContact O-CA 3.36Å; E208-F211 WeakPolarHBondContact O-CB 3.44Å; E208-F211 PolarHBondContact O-N 3.42Å; F211-F213 VanDerWaalsContact C-N 3.29Å; F211-F213 PolarHBondContact O-N 3.02Å; F211-Y214 WeakPolarHBondContact O-CB 3.45Å; F211-Y214 PolarHBondContact O-N 3.4Å; F211-E215 WeakPolarHBondContact O-CB 3.38Å; F211-E215 PolarHBondContact O-N 3.07Å; F211-R221 HydrophobicContact CB-CB 4.43Å; F211-R221 WeakPolarHBondContact CD1-O 3.45Å; F211-M222 HydrophobicContact CD1-CG 4.39Å; F211-M222 HydrophobicContact CE1-CG 3.68Å; F211-M222 HydrophobicContact CE2-CG 4.42Å; F211-M222 HydrophobicContact CZ-CG 3.65Å; F211-M222 HydrophobicContact CZ-SD 3.99Å
212	E	97.4	Very high	95.6	Very high	103 Å²	103	52.3 Å²	52.3	48%	0.481	26%	0.256	S	S	.	.	H	α-helix	trans	-62.1	-38.9	170.7	-165.9	-174.2	159	0	0	111.2	E208 K209 M210 Y214 E215 R216	E208-E212 PolarHBondContact O-N 2.99Å; K209-E212 VanDerWaalsContact O-CB 3.3Å; K209-E212 WeakPolarHBondContact O-CB 3.5Å; K209-E212 PolarHBondContact O-N 3.37Å; M210-E212 VanDerWaalsContact C-N 3.3Å; M210-E212 PolarHBondContact O-N 3.34Å; E212-Y214 VanDerWaalsContact C-N 3.3Å; E212-Y214 PolarHBondContact O-N 2.63Å; E212-E215 PolarHBondContact O-N 3.42Å; E212-R216 WeakPolarHBondContact O-CB 3.48Å; E212-R216 WeakPolarHBondContact O-CG 3.43Å; E212-R216 PolarHBondContact O-N 2.75Å
213	F	96.9	Very high	95.7	Very high	11 Å²	11	50.3 Å²	50.3	5%	0.048	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-38	173.5	-56.5	-31.4	0	0	0	112.3	K209 M210 F211 R216 V217 L240 D243 I244 F247	K209-F213 PolarHBondContact O-N 2.77Å; M210-F213 HydrophobicContact CG-CD2 4.43Å; M210-F213 WeakPolarHBondContact O-CB 3.41Å; M210-F213 PolarHBondContact O-N 3.25Å; F211-F213 VanDerWaalsContact C-N 3.29Å; F211-F213 PolarHBondContact O-N 3.02Å; F213-R216 PolarHBondContact O-N 3.1Å; F213-V217 WeakPolarHBondContact O-CG1 3.42Å; F213-V217 PolarHBondContact O-N 3.16Å; F213-V217 VanDerWaalsContact O-N 3.08Å; F213-L240 HydrophobicContact CB-CD1 4.36Å; F213-L240 HydrophobicContact CD1-CD1 3.68Å; F213-L240 HydrophobicContact CE1-CD1 4.39Å; F213-L240 HydrophobicContact CG-CD1 4.31Å; F213-D243 HydrophobicContact CE1-CB 3.97Å; F213-I244 HydrophobicContact CD1-CG1 4.31Å; F213-I244 HydrophobicContact CD2-CG1 4.02Å; F213-I244 HydrophobicContact CE1-CG1 4.28Å; F213-I244 HydrophobicContact CE2-CG1 3.99Å; F213-I244 HydrophobicContact CG-CG1 4.19Å; F213-I244 HydrophobicContact CZ-CG1 4.12Å; F213-F247 HydrophobicContact CE2-CB 3.94Å; F213-F247 HydrophobicContact CE2-CD1 4.11Å; F213-F247 HydrophobicContact CE2-CD2 4.43Å; F213-F247 AromaticContact CE2-CG 3.9Å; F213-F247 HydrophobicContact CE2-CG 3.9Å; F213-F247 HydrophobicContact CZ-CB 3.76Å; F213-F247 HydrophobicContact CZ-CG 4.17Å
214	Y	96.1	Very high	95.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.6	-41.3	178.2	-81.6	41.3	0	0	0	110.8	M144 M145 F174 I177 T178 L181 M210 F211 E212 V217 S218 A220	M144-Y214 HydrophobicContact CE-CD2 3.7Å; M144-Y214 HydrophobicContact CE-CE2 3.45Å; M144-Y214 VanDerWaalsContact CE-CE2 3.45Å; M145-Y214 HydrophobicContact CE-CD2 4.1Å; M145-Y214 HydrophobicContact CE-CE2 4.08Å; M145-Y214 HydrophobicContact CG-CE2 3.82Å; F174-Y214 HydrophobicContact CD1-CD1 4.41Å; F174-Y214 AromaticContact CD1-CE1 3.94Å; F174-Y214 HydrophobicContact CD1-CE1 3.94Å; F174-Y214 HydrophobicContact CE1-CD1 4.39Å; F174-Y214 HydrophobicContact CE1-CE1 4.34Å; I177-Y214 HydrophobicContact CG2-CE1 3.75Å; T178-Y214 WeakPolarHBondContact CA-OH 3.45Å; T178-Y214 WeakPolarHBondContact CB-OH 3.5Å; T178-Y214 PolarHBondContact N-OH 3.19Å; T178-Y214 PolarHBondContact OG1-OH 3.26Å; L181-Y214 HydrophobicContact CD1-CE1 3.83Å; L181-Y214 HydrophobicContact CD1-CE2 3.98Å; L181-Y214 VanDerWaalsContact CD1-CZ 3.5Å; L181-Y214 WeakPolarHBondContact CD1-OH 3.47Å; M210-Y214 VanDerWaalsContact O-CD1 3.29Å; M210-Y214 WeakPolarHBondContact O-CD1 3.48Å; M210-Y214 PolarHBondContact O-N 2.92Å; F211-Y214 WeakPolarHBondContact O-CB 3.45Å; F211-Y214 PolarHBondContact O-N 3.4Å; E212-Y214 VanDerWaalsContact C-N 3.3Å; E212-Y214 PolarHBondContact O-N 2.63Å; Y214-V217 WeakPolarHBondContact O-CG1 2.88Å; Y214-V217 PolarHBondContact O-N 3.23Å; Y214-S218 WeakPolarHBondContact O-CB 3.36Å; Y214-S218 PolarHBondContact O-N 3.39Å; Y214-S218 PolarHBondContact O-OG 3.32Å; Y214-A220 CarbonylContact C-O 3.59Å
215	E	96.1	Very high	95.5	Very high	94 Å²	94	48.7 Å²	48.7	44%	0.439	25%	0.25	S	S	.	.	H	α-helix	trans	-64.4	-43.4	175.5	-172.9	175	169.6	0	0	111.3	F211 E212 V217 G219 A220 R221	F211-E215 WeakPolarHBondContact O-CB 3.38Å; F211-E215 PolarHBondContact O-N 3.07Å; E212-E215 PolarHBondContact O-N 3.42Å; E215-V217 VanDerWaalsContact C-N 3.34Å; E215-V217 PolarHBondContact O-N 2.84Å; E215-G219 WeakPolarHBondContact O-CA 3.12Å; E215-G219 PolarHBondContact O-N 3.13Å; E215-A220 WeakPolarHBondContact CA-O 2.98Å; E215-A220 PolarHBondContact N-O 3.06Å; E215-R221 HydrophobicContact CB-CG 4.01Å; E215-R221 HydrophobicContact CG-CG 4.3Å; E215-R221 WeakPolarHBondContact OE2-CD 3.42Å; E215-R221 VanDerWaalsContact OE2-CG 3.28Å; E215-R221 WeakPolarHBondContact OE2-CG 3.21Å
216	R	95.7	Very high	95.5	Very high	94 Å²	94	44.4 Å²	44.4	36%	0.355	23%	0.23	S	C	.	.	H	α-helix	trans	-65.7	-35.1	178.6	-75.2	178.3	65.1	179.6	-8	113.1	E212 F213 P237 L240 D243	E212-R216 WeakPolarHBondContact O-CB 3.48Å; E212-R216 WeakPolarHBondContact O-CG 3.43Å; E212-R216 PolarHBondContact O-N 2.75Å; F213-R216 PolarHBondContact O-N 3.1Å; R216-P237 HydrophobicContact CB-CG 4.38Å; R216-L240 HydrophobicContact CB-CD1 4.38Å; R216-D243 IonicContact CZ-OD2 2.75Å; R216-D243 IonicContact NH1-OD2 2.63Å; R216-D243 PolarHBondContact NH1-OD2 2.89Å; R216-D243 IonicContact NH2-OD2 2.68Å; R216-D243 PolarHBondContact NH2-OD2 3.23Å
217	V	95.8	Very high	95.5	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.03	23%	0.229	C	C	.	.	H	α-helix	trans	-83.8	-34.7	-178.6	78	0	0	0	0	113.4	F174 F213 Y214 E215 Y226 L236 L240	F174-V217 HydrophobicContact CE1-CG1 3.99Å; F174-V217 HydrophobicContact CE2-CB 4.38Å; F174-V217 HydrophobicContact CE2-CG1 4.29Å; F174-V217 HydrophobicContact CE2-CG2 3.86Å; F174-V217 HydrophobicContact CZ-CB 3.78Å; F174-V217 HydrophobicContact CZ-CG1 3.67Å; F174-V217 HydrophobicContact CZ-CG2 3.76Å; F213-V217 WeakPolarHBondContact O-CG1 3.42Å; F213-V217 PolarHBondContact O-N 3.16Å; F213-V217 VanDerWaalsContact O-N 3.08Å; Y214-V217 WeakPolarHBondContact O-CG1 2.88Å; Y214-V217 PolarHBondContact O-N 3.23Å; E215-V217 VanDerWaalsContact C-N 3.34Å; E215-V217 PolarHBondContact O-N 2.84Å; V217-Y226 HydrophobicContact CG2-CD2 4.23Å; V217-Y226 HydrophobicContact CG2-CE1 4Å; V217-Y226 HydrophobicContact CG2-CE2 3.54Å; V217-Y226 WeakPolarHBondContact CG2-OH 3.29Å; V217-L236 HydrophobicContact CG2-CD2 3.92Å; V217-L240 HydrophobicContact CB-CD2 4.46Å
218	S	93.5	Very high	95.5	Very high	36 Å²	36	45.6 Å²	45.6	25%	0.252	23%	0.234	S	C	.	.	H	α-helix	trans	-118.1	-20.2	-171.3	72.7	0	0	0	0	114.8	Y214 A220 A224	Y214-S218 WeakPolarHBondContact O-CB 3.36Å; Y214-S218 PolarHBondContact O-N 3.39Å; Y214-S218 PolarHBondContact O-OG 3.32Å; S218-A220 VanDerWaalsContact C-N 3.3Å; S218-A220 PolarHBondContact OG-N 2.95Å; S218-A220 VanDerWaalsContact OG-N 3.13Å; S218-A220 PolarHBondContact OG-O 2.93Å; S218-A220 VanDerWaalsContact OG-O 3.06Å; S218-A224 WeakPolarHBondContact OG-CB 3.43Å
219	G	93.9	Very high	95.5	Very high	63 Å²	63	41.9 Å²	41.9	65%	0.649	22%	0.218	S	C	*	.	S	Bend	trans	84.6	-3.8	-169	0	0	0	0	0	114.3	E215	E215-G219 WeakPolarHBondContact O-CA 3.12Å; E215-G219 PolarHBondContact O-N 3.13Å
220	A	94.3	Very high	95.2	Very high	32 Å²	32	38.7 Å²	38.7	26%	0.264	20%	0.204	S	C	.	.			trans	-122.7	142.8	177.5	0	0	0	0	0	111.1	Y214 E215 S218 H223	Y214-A220 CarbonylContact C-O 3.59Å; E215-A220 WeakPolarHBondContact CA-O 2.98Å; E215-A220 PolarHBondContact N-O 3.06Å; S218-A220 VanDerWaalsContact C-N 3.3Å; S218-A220 PolarHBondContact OG-N 2.95Å; S218-A220 VanDerWaalsContact OG-N 3.13Å; S218-A220 PolarHBondContact OG-O 2.93Å; S218-A220 VanDerWaalsContact OG-O 3.06Å; A220-H223 VanDerWaalsContact CB-O 3.22Å; A220-H223 WeakPolarHBondContact CB-O 3.36Å
221	R	93.3	Very high	95.1	Very high	109 Å²	109	38.7 Å²	38.7	41%	0.411	21%	0.205	S	C	.	.	S	Bend	trans	-75.4	-33	-178.1	-71.7	179.2	52.5	169.1	-6.7	114.1	E208 F211 E215	E208-R221 IonicContact OE1-CZ 3.96Å; E208-R221 IonicContact OE1-NH1 3.24Å; E208-R221 PolarHBondContact OE1-NH1 3.19Å; E208-R221 IonicContact OE1-NH2 2.74Å; E208-R221 PolarHBondContact OE1-NH2 2.7Å; E208-R221 IonicContact OE2-CZ 2.73Å; E208-R221 IonicContact OE2-NH2 3.24Å; E208-R221 PolarHBondContact OE2-NH2 2.91Å; F211-R221 HydrophobicContact CB-CB 4.43Å; F211-R221 WeakPolarHBondContact CD1-O 3.45Å; E215-R221 HydrophobicContact CB-CG 4.01Å; E215-R221 HydrophobicContact CG-CG 4.3Å; E215-R221 WeakPolarHBondContact OE2-CD 3.42Å; E215-R221 VanDerWaalsContact OE2-CG 3.28Å; E215-R221 WeakPolarHBondContact OE2-CG 3.21Å
222	M	92	Very high	95	Very high	83 Å²	83	38.3 Å²	38.3	41%	0.409	20%	0.203	S	C	.	.	S	Bend	trans	-121.2	-74.4	-179.8	-69	-170.3	-68.1	0	0	112.6	M144 F211 A224	M144-M222 HydrophobicContact CE-CB 4.12Å; M144-M222 HydrophobicContact CE-CG 4.43Å; M144-M222 VanDerWaalsContact CE-O 3.27Å; M144-M222 WeakPolarHBondContact CE-O 3.46Å; M144-M222 WeakPolarHBondContact CG-O 3.31Å; F211-M222 HydrophobicContact CD1-CG 4.39Å; F211-M222 HydrophobicContact CE1-CG 3.68Å; F211-M222 HydrophobicContact CE2-CG 4.42Å; F211-M222 HydrophobicContact CZ-CG 3.65Å; F211-M222 HydrophobicContact CZ-SD 3.99Å; M222-A224 PolarHBondContact O-N 3.28Å; M222-A224 VanDerWaalsContact O-N 3.11Å
223	H	96.4	Very high	94.8	Very high	72 Å²	72	35.4 Å²	35.4	33%	0.333	19%	0.19	S	C	.	.			trans	-78.4	98.6	-177.2	-56	-54.2	0	0	0	110.3	D137 A220	D137-H223 HydrophobicContact CB-CB 4.28Å; D137-H223 PolarHBondContact O-CE1 2.93Å; D137-H223 VanDerWaalsContact O-CE1 3.31Å; D137-H223 PolarHBondContact O-ND1 3.49Å; A220-H223 VanDerWaalsContact CB-O 3.22Å; A220-H223 WeakPolarHBondContact CB-O 3.36Å
224	A	93	Very high	94.7	Very high	12 Å²	12	40 Å²	40	10%	0.099	21%	0.211	C	C	.	.			trans	-91.4	-27.5	-166.4	0	0	0	0	0	114.3	M145 S218 M222 Y226	M145-A224 HydrophobicContact CE-CB 3.29Å; M145-A224 HydrophobicContact SD-CB 4.01Å; S218-A224 WeakPolarHBondContact OG-CB 3.43Å; M222-A224 PolarHBondContact O-N 3.28Å; M222-A224 VanDerWaalsContact O-N 3.11Å; A224-Y226 PolarHBondContact O-N 3.34Å; A224-Y226 VanDerWaalsContact O-N 3.16Å
225	A	95.6	Very high	94.6	Very high	24 Å²	24	43.2 Å²	43.2	20%	0.198	23%	0.228	C	C	.	.			trans	47.3	37.6	-171.3	0	0	0	0	0	112.9	D137 E148 R228	D137-A225 PolarHBondContact OD2-N 2.96Å; E148-A225 WeakPolarHBondContact OE1-CA 3.47Å; E148-A225 PolarHBondContact OE1-N 2.82Å; A225-R228 PolarHBondContact O-NE 3.4Å; A225-R228 VanDerWaalsContact O-NE 3.07Å; A225-R228 PolarHBondContact O-NH2 3.3Å
226	Y	96.4	Very high	94.5	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.012	21%	0.212	C	C	.	.			trans	-96.5	-49.2	-163.7	178.7	-108.9	0	0	0	112.5	M145 E148 I170 F174 V217 A224 R228 V232 H233 Q234	M145-Y226 HydrophobicContact CE-CD1 4.01Å; M145-Y226 HydrophobicContact CE-CG 4.15Å; M145-Y226 HydrophobicContact SD-CD1 4.16Å; M145-Y226 HydrophobicContact SD-CG 4.48Å; E148-Y226 PolarHBondContact OE1-N 3.09Å; E148-Y226 PolarHBondContact OE2-N 3.29Å; I170-Y226 HydrophobicContact CG2-CE1 3.93Å; F174-Y226 HydrophobicContact CD2-CE1 4.08Å; F174-Y226 HydrophobicContact CE2-CE1 4.05Å; V217-Y226 HydrophobicContact CG2-CD2 4.23Å; V217-Y226 HydrophobicContact CG2-CE1 4Å; V217-Y226 HydrophobicContact CG2-CE2 3.54Å; V217-Y226 WeakPolarHBondContact CG2-OH 3.29Å; A224-Y226 PolarHBondContact O-N 3.34Å; A224-Y226 VanDerWaalsContact O-N 3.16Å; Y226-R228 PolarHBondContact O-N 3.37Å; Y226-V232 HydrophobicContact CE1-CB 3.93Å; Y226-V232 HydrophobicContact CE1-CG1 3.98Å; Y226-V232 HydrophobicContact CE2-CB 4.49Å; Y226-H233 HydrophobicContact CD2-CB 4.42Å; Y226-H233 WeakPolarHBondContact O-CB 3.46Å; Y226-H233 PolarHBondContact O-N 3.35Å; Y226-Q234 HydrophobicContact CE2-CB 4.4Å; Y226-Q234 WeakPolarHBondContact CE2-O 3.39Å; Y226-Q234 VanDerWaalsContact CZ-O 3.22Å; Y226-Q234 PolarHBondContact OH-O 3.21Å
227	I	96.8	Very high	94.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	120	172.2	-61.5	174.9	0	0	0	107.5	L133 M145 E148 Q149 S152 R171 V232	L133-I227 WeakPolarHBondContact CD1-O 3.46Å; M145-I227 HydrophobicContact CB-CD1 3.89Å; M145-I227 WeakPolarHBondContact O-CD1 3.45Å; M145-I227 HydrophobicContact SD-CD1 4.33Å; M145-I227 HydrophobicContact SD-CG1 4.23Å; E148-I227 HydrophobicContact CB-CB 3.81Å; E148-I227 HydrophobicContact CB-CG2 4.34Å; E148-I227 WeakPolarHBondContact OE2-CA 3.49Å; E148-I227 WeakPolarHBondContact OE2-CB 3.49Å; E148-I227 PolarHBondContact OE2-N 3.16Å; Q149-I227 HydrophobicContact CB-CD1 4.16Å; Q149-I227 HydrophobicContact CB-CG2 4.47Å; S152-I227 VanDerWaalsContact OG-CG2 3.31Å; S152-I227 WeakPolarHBondContact OG-CG2 3.27Å; R171-I227 HydrophobicContact CB-CD1 4.43Å; R171-I227 HydrophobicContact CG-CD1 4.02Å; R171-I227 HydrophobicContact CG-CG1 4.11Å; R171-I227 HydrophobicContact CG-CG2 4.18Å; I227-V232 HydrophobicContact CG1-CG1 4.5Å
228	R	96	Very high	94.5	Very high	50 Å²	50	45.4 Å²	45.4	19%	0.189	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	154.7	-177.6	-58.9	-163.8	177.6	-175.2	3.2	110.2	L133 R171 A225 Y226 G230 G231 H233	L133-R228 HydrophobicContact CD2-CB 4.42Å; L133-R228 HydrophobicContact CD2-CG 3.74Å; R171-R228 PolarHBondContact NH2-O 3.04Å; A225-R228 PolarHBondContact O-NE 3.4Å; A225-R228 VanDerWaalsContact O-NE 3.07Å; A225-R228 PolarHBondContact O-NH2 3.3Å; Y226-R228 PolarHBondContact O-N 3.37Å; R228-G230 PolarHBondContact O-N 3.4Å; R228-G230 VanDerWaalsContact O-N 3.12Å; R228-G231 PolarHBondContact N-O 3.46Å; R228-G231 VanDerWaalsContact N-O 3.17Å; R228-G231 CarbonylContact O-C 3.57Å; R228-G231 PolarHBondContact O-N 3.46Å; R228-H233 HydrophobicContact CG-CB 4.3Å; R228-H233 PolarHBondContact NH1-ND1 3.49Å
229	P	96.1	Very high	94.5	Very high	9 Å²	9	45.3 Å²	45.3	6%	0.058	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	121	168	-24.2	34.8	0	0	0	110.3	Y151 V155 Y389	Y151-P229 HydrophobicContact CE1-CG 4.27Å; V155-P229 HydrophobicContact CB-CB 3.9Å; V155-P229 HydrophobicContact CB-CG 3.93Å; V155-P229 HydrophobicContact CG1-CB 3.65Å; V155-P229 HydrophobicContact CG1-CG 3.97Å; V155-P229 HydrophobicContact CG2-CG 4.19Å; P229-Y389 WeakPolarHBondContact CB-OH 3.13Å; P229-Y389 WeakPolarHBondContact CG-OH 3.38Å
230	G	91.3	Very high	94.6	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.021	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.6	3.9	-175.5	0	0	0	0	0	115.9	E156 R228 V358	E156-G230 WeakPolarHBondContact OE1-CA 3.31Å; E156-G230 PolarHBondContact OE1-N 3.47Å; R228-G230 PolarHBondContact O-N 3.4Å; R228-G230 VanDerWaalsContact O-N 3.12Å; G230-V358 PolarHBondContact O-N 3.35Å
231	G	93.9	Very high	94.6	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.6	-132.6	174	0	0	0	0	0	113.8	E156 R171 R228	E156-G231 PolarHBondContact OE1-N 3.38Å; R171-G231 PolarHBondContact NE-O 3.18Å; R171-G231 PolarHBondContact NH2-O 2.85Å; R228-G231 PolarHBondContact N-O 3.46Å; R228-G231 VanDerWaalsContact N-O 3.17Å; R228-G231 CarbonylContact O-C 3.57Å; R228-G231 PolarHBondContact O-N 3.46Å
232	V	95.5	Very high	94.8	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	153.8	173.2	-60.6	0	0	0	0	110.7	A167 I170 R171 Y226 I227 I356 K357	A167-V232 HydrophobicContact CB-CG1 4.49Å; A167-V232 HydrophobicContact CB-CG2 4.38Å; I170-V232 HydrophobicContact CB-CG1 4.5Å; I170-V232 HydrophobicContact CD1-CG2 4.33Å; I170-V232 HydrophobicContact CG2-CG1 4.08Å; I170-V232 HydrophobicContact CG2-CG2 4.49Å; R171-V232 HydrophobicContact CG-CG1 3.96Å; Y226-V232 HydrophobicContact CE1-CB 3.93Å; Y226-V232 HydrophobicContact CE1-CG1 3.98Å; Y226-V232 HydrophobicContact CE2-CB 4.49Å; I227-V232 HydrophobicContact CG1-CG1 4.5Å; V232-I356 HydrophobicContact CG2-CB 3.62Å; V232-I356 HydrophobicContact CG2-CG2 4.03Å; V232-I356 PolarHBondContact N-O 3.37Å; V232-K357 WeakPolarHBondContact O-CE 3.5Å; V232-K357 WeakPolarHBondContact O-CG 3.5Å
233	H	93.3	Very high	95	Very high	42 Å²	42	42.7 Å²	42.7	19%	0.194	23%	0.232	C	C	.	.	S	Bend	trans	-71	-43.7	-171.5	-179	55.3	0	0	0	113.8	Y226 R228 K357	Y226-H233 HydrophobicContact CD2-CB 4.42Å; Y226-H233 WeakPolarHBondContact O-CB 3.46Å; Y226-H233 PolarHBondContact O-N 3.35Å; R228-H233 HydrophobicContact CG-CB 4.3Å; R228-H233 PolarHBondContact NH1-ND1 3.49Å; H233-K357 WeakPolarHBondContact O-CE 3.39Å; H233-K357 PolarHBondContact O-NZ 3.47Å
234	Q	93.1	Very high	95	Very high	109 Å²	109	39.4 Å²	39.4	51%	0.509	22%	0.217	S	C	.	.	S	Bend	trans	-136.8	154.8	-179.4	-73.3	177.9	26.1	0	0	109.2	Y226	Y226-Q234 HydrophobicContact CE2-CB 4.4Å; Y226-Q234 WeakPolarHBondContact CE2-O 3.39Å; Y226-Q234 VanDerWaalsContact CZ-O 3.22Å; Y226-Q234 PolarHBondContact OH-O 3.21Å
235	D	95.1	Very high	95.2	Very high	66 Å²	66	44 Å²	44	35%	0.353	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-76.5	165.2	175	-157.3	-3.5	0	0	0	110.7	R166 I356	R166-D235 IonicContact CZ-OD1 3.2Å; R166-D235 IonicContact CZ-OD2 2.84Å; R166-D235 IonicContact NE-OD1 3.14Å; R166-D235 PolarHBondContact NE-OD1 3.24Å; R166-D235 VanDerWaalsContact NE-OD1 3.14Å; R166-D235 IonicContact NE-OD2 3.19Å; R166-D235 PolarHBondContact NE-OD2 2.74Å; R166-D235 IonicContact NH2-OD1 2.85Å; R166-D235 PolarHBondContact NH2-OD1 3.02Å; R166-D235 IonicContact NH2-OD2 3.28Å; R166-D235 PolarHBondContact NH2-OD2 3.04Å; D235-I356 HydrophobicContact CB-CG1 4.15Å; D235-I356 HydrophobicContact CB-CG2 3.97Å
236	L	94.6	Very high	95.2	Very high	17 Å²	17	47.3 Å²	47.3	9%	0.089	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-60.7	136.9	173.9	-56.8	179.4	0	0	0	110.4	I170 F174 V217 L240 M241	I170-L236 HydrophobicContact CD1-CG 4.13Å; I170-L236 HydrophobicContact CG1-CD1 4.25Å; I170-L236 HydrophobicContact CG1-CG 4.28Å; I170-L236 HydrophobicContact CG2-CD2 4.2Å; F174-L236 HydrophobicContact CE2-CD2 3.49Å; F174-L236 VanDerWaalsContact CE2-CD2 3.49Å; F174-L236 HydrophobicContact CZ-CD2 3.93Å; V217-L236 HydrophobicContact CG2-CD2 3.92Å; L236-L240 HydrophobicContact CD2-CD2 4.16Å; L236-M241 HydrophobicContact CD1-CG 4.17Å; L236-M241 HydrophobicContact CD1-SD 4.47Å
237	P	95.7	Very high	95.2	Very high	49 Å²	49	47.9 Å²	47.9	32%	0.318	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-66.4	151.4	170.1	27.9	-32.8	0	0	0	110.8	R216 G239 L240	R216-P237 HydrophobicContact CB-CG 4.38Å; P237-G239 PolarHBondContact O-N 3.23Å; P237-L240 HydrophobicContact CG-CB 4.1Å; P237-L240 HydrophobicContact CG-CD2 4.06Å; P237-L240 WeakPolarHBondContact O-CB 3.49Å; P237-L240 PolarHBondContact O-N 2.88Å
238	L	94.7	Very high	95.1	Very high	173 Å²	173	48.3 Å²	48.3	91%	0.906	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	137.4	178.1	-60.6	176.6	0	0	0	110.7	L240	L238-L240 VanDerWaalsContact C-N 3.35Å; L238-L240 PolarHBondContact O-N 3.18Å
239	G	93.9	Very high	94.9	Very high	35 Å²	35	50.2 Å²	50.2	36%	0.361	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	-12.9	-179.9	0	0	0	0	0	115.8	P237 M241 D242 D243	P237-G239 PolarHBondContact O-N 3.23Å; G239-M241 VanDerWaalsContact C-N 3.29Å; G239-M241 PolarHBondContact O-N 2.84Å; G239-D242 PolarHBondContact O-N 3.2Å; G239-D243 PolarHBondContact O-N 3.31Å
240	L	95.9	Very high	94.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-32.1	-177.2	-176.8	64	0	0	0	113.5	F174 F213 R216 V217 L236 P237 L238 D242 D243 I244	F174-L240 HydrophobicContact CZ-CD2 4.43Å; F213-L240 HydrophobicContact CB-CD1 4.36Å; F213-L240 HydrophobicContact CD1-CD1 3.68Å; F213-L240 HydrophobicContact CE1-CD1 4.39Å; F213-L240 HydrophobicContact CG-CD1 4.31Å; R216-L240 HydrophobicContact CB-CD1 4.38Å; V217-L240 HydrophobicContact CB-CD2 4.46Å; L236-L240 HydrophobicContact CD2-CD2 4.16Å; P237-L240 HydrophobicContact CG-CB 4.1Å; P237-L240 HydrophobicContact CG-CD2 4.06Å; P237-L240 WeakPolarHBondContact O-CB 3.49Å; P237-L240 PolarHBondContact O-N 2.88Å; L238-L240 VanDerWaalsContact C-N 3.35Å; L238-L240 PolarHBondContact O-N 3.18Å; L240-D242 VanDerWaalsContact C-N 3.31Å; L240-D242 PolarHBondContact O-N 2.85Å; L240-D243 PolarHBondContact O-N 2.76Å; L240-I244 HydrophobicContact CD1-CD1 4.47Å; L240-I244 HydrophobicContact CD1-CG1 4.47Å; L240-I244 HydrophobicContact CD2-CD1 4.47Å; L240-I244 HydrophobicContact CG-CD1 3.97Å; L240-I244 HydrophobicContact CG-CG1 4.4Å; L240-I244 VanDerWaalsContact O-CG1 3.31Å; L240-I244 WeakPolarHBondContact O-CG1 3.3Å; L240-I244 PolarHBondContact O-N 3.04Å
241	M	95.1	Very high	95.1	Very high	56 Å²	56	54.4 Å²	54.4	28%	0.276	28%	0.28	S	S	.	.	H	α-helix	trans	-65.4	-36.3	180	-67.8	179.1	67.3	0	0	112.3	L236 G239 Y245 L348 M351	L236-M241 HydrophobicContact CD1-CG 4.17Å; L236-M241 HydrophobicContact CD1-SD 4.47Å; G239-M241 VanDerWaalsContact C-N 3.29Å; G239-M241 PolarHBondContact O-N 2.84Å; M241-Y245 WeakPolarHBondContact O-CB 3.48Å; M241-Y245 PolarHBondContact O-N 3.28Å; M241-L348 HydrophobicContact CB-CD2 4.05Å; M241-L348 HydrophobicContact CE-CD2 4.04Å; M241-L348 HydrophobicContact CG-CD2 4.18Å; M241-M351 HydrophobicContact CE-CB 3.7Å; M241-M351 HydrophobicContact CE-CG 3.93Å; M241-M351 HydrophobicContact SD-CG 4.37Å
242	D	96.1	Very high	95	Very high	113 Å²	113	56.7 Å²	56.7	60%	0.604	30%	0.296	S	S	*	.	H	α-helix	trans	-68.7	-40	178.3	-58.9	-38.1	0	0	0	110.5	G239 L240 Y245 E246	G239-D242 PolarHBondContact O-N 3.2Å; L240-D242 VanDerWaalsContact C-N 3.31Å; L240-D242 PolarHBondContact O-N 2.85Å; D242-Y245 WeakPolarHBondContact O-CB 3.46Å; D242-Y245 PolarHBondContact O-N 2.95Å; D242-E246 PolarHBondContact O-N 3.04Å
243	D	96.7	Very high	95	Very high	63 Å²	63	61.8 Å²	61.8	34%	0.337	32%	0.323	S	S	.	.	H	α-helix	trans	-65.8	-41.4	177.4	-59.4	-39.9	0	0	0	112	F213 R216 G239 L240 Y245 E246 F247	F213-D243 HydrophobicContact CE1-CB 3.97Å; R216-D243 IonicContact CZ-OD2 2.75Å; R216-D243 IonicContact NH1-OD2 2.63Å; R216-D243 PolarHBondContact NH1-OD2 2.89Å; R216-D243 IonicContact NH2-OD2 2.68Å; R216-D243 PolarHBondContact NH2-OD2 3.23Å; G239-D243 PolarHBondContact O-N 3.31Å; L240-D243 PolarHBondContact O-N 2.76Å; D243-Y245 VanDerWaalsContact C-N 3.27Å; D243-Y245 PolarHBondContact O-N 2.85Å; D243-E246 PolarHBondContact O-N 3.32Å; D243-F247 WeakPolarHBondContact O-CB 3.33Å; D243-F247 PolarHBondContact O-N 2.83Å
244	I	96.6	Very high	95.1	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-63.9	-37	174.1	-64.7	168.2	0	0	0	110.4	L173 I177 F213 L240 F247 S248 I344 L348	L173-I244 HydrophobicContact CD2-CD1 4.31Å; I177-I244 HydrophobicContact CD1-CD1 4.21Å; I177-I244 HydrophobicContact CD1-CG2 4.46Å; F213-I244 HydrophobicContact CD1-CG1 4.31Å; F213-I244 HydrophobicContact CD2-CG1 4.02Å; F213-I244 HydrophobicContact CE1-CG1 4.28Å; F213-I244 HydrophobicContact CE2-CG1 3.99Å; F213-I244 HydrophobicContact CG-CG1 4.19Å; F213-I244 HydrophobicContact CZ-CG1 4.12Å; L240-I244 HydrophobicContact CD1-CD1 4.47Å; L240-I244 HydrophobicContact CD1-CG1 4.47Å; L240-I244 HydrophobicContact CD2-CD1 4.47Å; L240-I244 HydrophobicContact CG-CD1 3.97Å; L240-I244 HydrophobicContact CG-CG1 4.4Å; L240-I244 VanDerWaalsContact O-CG1 3.31Å; L240-I244 WeakPolarHBondContact O-CG1 3.3Å; L240-I244 PolarHBondContact O-N 3.04Å; I244-F247 PolarHBondContact O-N 3.36Å; I244-S248 WeakPolarHBondContact O-CB 3.49Å; I244-S248 PolarHBondContact O-N 3.04Å; I244-I344 HydrophobicContact CG2-CG2 3.84Å; I244-L348 HydrophobicContact CG2-CD1 4.08Å; I244-L348 HydrophobicContact CG2-CD2 4.43Å
245	Y	96.8	Very high	95.1	Very high	110 Å²	110	58.2 Å²	58.2	43%	0.431	30%	0.303	S	S	.	.	H	α-helix	trans	-65	-46.8	176.6	-179.2	-123.8	0	0	0	111.9	M241 D242 D243 F247 S248 K249 L348	M241-Y245 WeakPolarHBondContact O-CB 3.48Å; M241-Y245 PolarHBondContact O-N 3.28Å; D242-Y245 WeakPolarHBondContact O-CB 3.46Å; D242-Y245 PolarHBondContact O-N 2.95Å; D243-Y245 VanDerWaalsContact C-N 3.27Å; D243-Y245 PolarHBondContact O-N 2.85Å; Y245-F247 VanDerWaalsContact C-N 3.32Å; Y245-F247 PolarHBondContact O-N 2.89Å; Y245-S248 PolarHBondContact O-N 2.65Å; Y245-S248 VanDerWaalsContact O-N 3.16Å; Y245-S248 PolarHBondContact O-OG 3.41Å; Y245-K249 HydrophobicContact CE1-CD 4.43Å; Y245-K249 PolarHBondContact O-N 3.09Å; Y245-K249 VanDerWaalsContact O-N 3.17Å; Y245-K249 WeakPolarHBondContact OH-CE 3.11Å; Y245-L348 HydrophobicContact CD2-CD1 4.45Å
246	E	96	Very high	95.2	Very high	92 Å²	92	58 Å²	58	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-61.8	-39.5	175.2	-71.2	-55.9	144.3	0	0	112.3	D242 D243 K249 N250	D242-E246 PolarHBondContact O-N 3.04Å; D243-E246 PolarHBondContact O-N 3.32Å; E246-K249 PolarHBondContact O-N 3.18Å; E246-K249 IonicContact OE1-NZ 3.24Å; E246-K249 PolarHBondContact OE1-NZ 3.48Å; E246-K249 IonicContact OE2-NZ 3.63Å; E246-N250 PolarHBondContact O-N 3Å; E246-N250 PolarHBondContact O-ND2 3.05Å; E246-N250 VanDerWaalsContact O-ND2 3.12Å
247	F	96.4	Very high	95.1	Very high	16 Å²	16	60.6 Å²	60.6	7%	0.07	31%	0.313	C	S	.	.	H	α-helix	trans	-59.5	-47.7	171.6	173.5	-97	0	0	0	111.7	E206 K209 M210 F213 D243 I244 Y245 K249 N250 F251	E206-F247 HydrophobicContact CB-CE2 4.14Å; E206-F247 HydrophobicContact CB-CZ 4.49Å; E206-F247 WeakPolarHBondContact OE2-CE2 3.4Å; K209-F247 HydrophobicContact CB-CD2 4.2Å; K209-F247 HydrophobicContact CB-CE2 4.25Å; K209-F247 HydrophobicContact CD-CD2 4.38Å; M210-F247 HydrophobicContact CE-CZ 4.13Å; M210-F247 HydrophobicContact CG-CE1 3.86Å; M210-F247 HydrophobicContact CG-CE2 4.11Å; M210-F247 HydrophobicContact CG-CZ 3.55Å; M210-F247 HydrophobicContact SD-CE1 3.98Å; M210-F247 HydrophobicContact SD-CZ 3.83Å; F213-F247 HydrophobicContact CE2-CB 3.94Å; F213-F247 HydrophobicContact CE2-CD1 4.11Å; F213-F247 HydrophobicContact CE2-CD2 4.43Å; F213-F247 AromaticContact CE2-CG 3.9Å; F213-F247 HydrophobicContact CE2-CG 3.9Å; F213-F247 HydrophobicContact CZ-CB 3.76Å; F213-F247 HydrophobicContact CZ-CG 4.17Å; D243-F247 WeakPolarHBondContact O-CB 3.33Å; D243-F247 PolarHBondContact O-N 2.83Å; I244-F247 PolarHBondContact O-N 3.36Å; Y245-F247 VanDerWaalsContact C-N 3.32Å; Y245-F247 PolarHBondContact O-N 2.89Å; F247-K249 VanDerWaalsContact C-N 3.28Å; F247-K249 PolarHBondContact O-N 3.46Å; F247-N250 PolarHBondContact O-N 3.21Å; F247-N250 VanDerWaalsContact O-N 3.16Å; F247-F251 HydrophobicContact CD1-CB 4.43Å; F247-F251 HydrophobicContact CE1-CB 4.03Å; F247-F251 HydrophobicContact CE1-CD2 4.24Å; F247-F251 HydrophobicContact CE1-CG 4.03Å; F247-F251 HydrophobicContact CE2-CB 4.38Å; F247-F251 HydrophobicContact CE2-CD2 4.02Å; F247-F251 HydrophobicContact CE2-CG 4.44Å; F247-F251 HydrophobicContact CZ-CB 4Å; F247-F251 AromaticContact CZ-CD2 3.52Å; F247-F251 HydrophobicContact CZ-CD2 3.52Å; F247-F251 HydrophobicContact CZ-CE2 4.18Å; F247-F251 AromaticContact CZ-CG 3.78Å; F247-F251 HydrophobicContact CZ-CG 3.78Å; F247-F251 VanDerWaalsContact O-CB 3.29Å; F247-F251 WeakPolarHBondContact O-CB 3.36Å; F247-F251 PolarHBondContact O-N 2.94Å
248	S	94.4	Very high	95.1	Very high	9 Å²	9	58.3 Å²	58.3	6%	0.063	30%	0.299	C	S	.	.	H	α-helix	trans	-60.2	-35.7	-177.2	73.2	0	0	0	0	113.3	I244 Y245	I244-S248 WeakPolarHBondContact O-CB 3.49Å; I244-S248 PolarHBondContact O-N 3.04Å; Y245-S248 PolarHBondContact O-N 2.65Å; Y245-S248 VanDerWaalsContact O-N 3.16Å; Y245-S248 PolarHBondContact O-OG 3.41Å
249	K	92.5	Very high	95.1	Very high	90 Å²	90	51.8 Å²	51.8	39%	0.391	26%	0.263	S	S	.	.	H	α-helix	trans	-64.6	-47.7	175.3	-68	176.4	-168.4	162.4	0	111.8	Y245 E246 F247	Y245-K249 HydrophobicContact CE1-CD 4.43Å; Y245-K249 PolarHBondContact O-N 3.09Å; Y245-K249 VanDerWaalsContact O-N 3.17Å; Y245-K249 WeakPolarHBondContact OH-CE 3.11Å; E246-K249 PolarHBondContact O-N 3.18Å; E246-K249 IonicContact OE1-NZ 3.24Å; E246-K249 PolarHBondContact OE1-NZ 3.48Å; E246-K249 IonicContact OE2-NZ 3.63Å; F247-K249 VanDerWaalsContact C-N 3.28Å; F247-K249 PolarHBondContact O-N 3.46Å
250	N	94.7	Very high	95.1	Very high	98 Å²	98	57.8 Å²	57.8	52%	0.524	28%	0.282	S	S	.	.	H	α-helix	trans	-75	-33.7	-175.3	-65.7	-34.6	0	0	0	112	E246 F247 S252 L253 R254	E246-N250 PolarHBondContact O-N 3Å; E246-N250 PolarHBondContact O-ND2 3.05Å; E246-N250 VanDerWaalsContact O-ND2 3.12Å; F247-N250 PolarHBondContact O-N 3.21Å; F247-N250 VanDerWaalsContact O-N 3.16Å; N250-S252 VanDerWaalsContact C-N 3.29Å; N250-S252 PolarHBondContact O-N 3Å; N250-L253 WeakPolarHBondContact O-CB 3.49Å; N250-L253 PolarHBondContact O-N 2.99Å; N250-R254 PolarHBondContact O-N 3.27Å
251	F	95.4	Very high	95	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-66.3	-29.8	-176.4	-170.1	-103.8	0	0	0	112.8	L180 I184 L203 E206 F247 L253 R254 L255 L341	L180-F251 HydrophobicContact CD1-CD1 4.47Å; L180-F251 HydrophobicContact CD1-CE1 4.32Å; L180-F251 HydrophobicContact CD2-CE1 3.95Å; I184-F251 HydrophobicContact CD1-CE2 3.62Å; I184-F251 HydrophobicContact CD1-CZ 3.47Å; I184-F251 VanDerWaalsContact CD1-CZ 3.47Å; I184-F251 HydrophobicContact CG1-CE2 4.46Å; I184-F251 HydrophobicContact CG1-CZ 3.96Å; L203-F251 HydrophobicContact CD2-CE2 4.38Å; E206-F251 HydrophobicContact CB-CD2 3.83Å; E206-F251 HydrophobicContact CB-CE2 3.75Å; E206-F251 HydrophobicContact CG-CD2 3.94Å; E206-F251 HydrophobicContact CG-CE2 4.11Å; F247-F251 HydrophobicContact CD1-CB 4.43Å; F247-F251 HydrophobicContact CE1-CB 4.03Å; F247-F251 HydrophobicContact CE1-CD2 4.24Å; F247-F251 HydrophobicContact CE1-CG 4.03Å; F247-F251 HydrophobicContact CE2-CB 4.38Å; F247-F251 HydrophobicContact CE2-CD2 4.02Å; F247-F251 HydrophobicContact CE2-CG 4.44Å; F247-F251 HydrophobicContact CZ-CB 4Å; F247-F251 AromaticContact CZ-CD2 3.52Å; F247-F251 HydrophobicContact CZ-CD2 3.52Å; F247-F251 HydrophobicContact CZ-CE2 4.18Å; F247-F251 AromaticContact CZ-CG 3.78Å; F247-F251 HydrophobicContact CZ-CG 3.78Å; F247-F251 VanDerWaalsContact O-CB 3.29Å; F247-F251 WeakPolarHBondContact O-CB 3.36Å; F247-F251 PolarHBondContact O-N 2.94Å; F251-L253 VanDerWaalsContact C-N 3.3Å; F251-L253 PolarHBondContact O-N 2.82Å; F251-R254 WeakPolarHBondContact O-CB 3.32Å; F251-R254 PolarHBondContact O-N 3.48Å; F251-L255 HydrophobicContact CD1-CD1 3.99Å; F251-L255 HydrophobicContact CD1-CG 4Å; F251-L255 HydrophobicContact CE1-CD1 3.67Å; F251-L255 HydrophobicContact CE1-CD2 3.68Å; F251-L255 HydrophobicContact CE1-CG 3.59Å; F251-L255 HydrophobicContact CZ-CD2 3.74Å; F251-L255 HydrophobicContact CZ-CG 4.06Å; F251-L255 PolarHBondContact O-N 2.75Å; F251-L341 HydrophobicContact CB-CD2 4.33Å; F251-L341 HydrophobicContact CD1-CD1 3.82Å; F251-L341 HydrophobicContact CD1-CD2 3.74Å; F251-L341 HydrophobicContact CD1-CG 4.04Å; F251-L341 HydrophobicContact CG-CD2 4.46Å
252	S	93.6	Very high	95	Very high	49 Å²	49	57.6 Å²	57.6	34%	0.343	28%	0.281	S	S	.	.	H	α-helix	trans	-57.9	-43.5	173.5	-169.5	0	0	0	0	111.9	N250 R254 L255 D256	N250-S252 VanDerWaalsContact C-N 3.29Å; N250-S252 PolarHBondContact O-N 3Å; S252-R254 VanDerWaalsContact C-N 3.32Å; S252-R254 PolarHBondContact O-N 3.35Å; S252-L255 PolarHBondContact O-N 2.76Å; S252-D256 PolarHBondContact O-N 2.73Å; S252-D256 VanDerWaalsContact O-N 3.16Å
253	L	95.5	Very high	95	Very high	108 Å²	108	53.1 Å²	53.1	57%	0.565	26%	0.258	S	S	*	.	H	α-helix	trans	-64.3	-38.9	178.1	-177.1	65.7	0	0	0	111.5	N250 F251 L255 D256 E257	N250-L253 WeakPolarHBondContact O-CB 3.49Å; N250-L253 PolarHBondContact O-N 2.99Å; F251-L253 VanDerWaalsContact C-N 3.3Å; F251-L253 PolarHBondContact O-N 2.82Å; L253-L255 VanDerWaalsContact C-N 3.32Å; L253-L255 PolarHBondContact O-N 2.84Å; L253-D256 PolarHBondContact O-N 2.89Å; L253-E257 WeakPolarHBondContact O-CG 3.31Å; L253-E257 PolarHBondContact O-N 3.06Å
254	R	94.2	Very high	94.9	Very high	76 Å²	76	55.9 Å²	55.9	29%	0.287	27%	0.273	S	S	.	.	H	α-helix	trans	-64.6	-35.3	176.8	-64.9	-58.3	-161.5	-174.1	1.8	112.9	E206 N250 F251 S252 E257 L258	E206-R254 HydrophobicContact CG-CB 4.38Å; E206-R254 HydrophobicContact CG-CG 3.99Å; E206-R254 IonicContact OE1-NE 3.44Å; E206-R254 PolarHBondContact OE1-NE 2.76Å; N250-R254 PolarHBondContact O-N 3.27Å; F251-R254 WeakPolarHBondContact O-CB 3.32Å; F251-R254 PolarHBondContact O-N 3.48Å; S252-R254 VanDerWaalsContact C-N 3.32Å; S252-R254 PolarHBondContact O-N 3.35Å; R254-E257 WeakPolarHBondContact CD-OE2 3.3Å; R254-E257 IonicContact CZ-OE2 3.73Å; R254-E257 IonicContact NH1-OE1 3.61Å; R254-E257 IonicContact NH1-OE2 2.91Å; R254-E257 PolarHBondContact NH1-OE2 2.83Å; R254-L258 PolarHBondContact O-N 3.43Å; R254-L258 VanDerWaalsContact O-N 3.09Å
255	L	94	Very high	94.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-67	-38.3	173.6	-70.5	-179.5	0	0	0	111.8	F251 S252 L253 L258 E259 M337 R338 L341	F251-L255 HydrophobicContact CD1-CD1 3.99Å; F251-L255 HydrophobicContact CD1-CG 4Å; F251-L255 HydrophobicContact CE1-CD1 3.67Å; F251-L255 HydrophobicContact CE1-CD2 3.68Å; F251-L255 HydrophobicContact CE1-CG 3.59Å; F251-L255 HydrophobicContact CZ-CD2 3.74Å; F251-L255 HydrophobicContact CZ-CG 4.06Å; F251-L255 PolarHBondContact O-N 2.75Å; S252-L255 PolarHBondContact O-N 2.76Å; L253-L255 VanDerWaalsContact C-N 3.32Å; L253-L255 PolarHBondContact O-N 2.84Å; L255-L258 WeakPolarHBondContact O-CB 3.25Å; L255-L258 PolarHBondContact O-N 3.1Å; L255-E259 PolarHBondContact O-N 3.32Å; L255-M337 HydrophobicContact CD1-CB 3.93Å; L255-M337 HydrophobicContact CD2-CB 4.17Å; L255-M337 HydrophobicContact CD2-CE 3.6Å; L255-M337 HydrophobicContact CD2-SD 3.77Å; L255-R338 HydrophobicContact CD1-CG 4.15Å; L255-L341 HydrophobicContact CD1-CD1 3.81Å
256	D	95.6	Very high	94.9	Very high	63 Å²	63	62.6 Å²	62.6	34%	0.337	30%	0.301	S	S	.	.	H	α-helix	trans	-67.5	-40.8	177.4	-62	-25.3	0	0	0	111.1	S252 L253 L258 E259 E260 R338	S252-D256 PolarHBondContact O-N 2.73Å; S252-D256 VanDerWaalsContact O-N 3.16Å; L253-D256 PolarHBondContact O-N 2.89Å; D256-L258 VanDerWaalsContact C-N 3.31Å; D256-L258 PolarHBondContact O-N 3.14Å; D256-E259 PolarHBondContact O-N 3.09Å; D256-E260 WeakPolarHBondContact O-CB 3.47Å; D256-E260 PolarHBondContact O-N 3.22Å; D256-R338 IonicContact OD1-CZ 3.31Å; D256-R338 IonicContact OD1-NE 3.37Å; D256-R338 IonicContact OD1-NH2 2.9Å; D256-R338 PolarHBondContact OD1-NH2 3.37Å
257	E	94.4	Very high	94.9	Very high	70 Å²	70	63.6 Å²	63.6	33%	0.327	31%	0.308	S	S	.	.	H	α-helix	trans	-59.5	-39.5	172.4	-70.8	175.2	174.1	0	0	112.3	L253 R254 M261	L253-E257 WeakPolarHBondContact O-CG 3.31Å; L253-E257 PolarHBondContact O-N 3.06Å; R254-E257 WeakPolarHBondContact CD-OE2 3.3Å; R254-E257 IonicContact CZ-OE2 3.73Å; R254-E257 IonicContact NH1-OE1 3.61Å; R254-E257 IonicContact NH1-OE2 2.91Å; R254-E257 PolarHBondContact NH1-OE2 2.83Å; E257-M261 PolarHBondContact O-N 3.06Å
258	L	94.4	Very high	94.9	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-64	-48.6	175.1	176.3	74.7	0	0	0	111.6	V187 P199 L203 R254 L255 D256 E260 M261 L262 M337	V187-L258 HydrophobicContact CG1-CD2 4.2Å; P199-L258 HydrophobicContact CB-CD1 3.65Å; P199-L258 HydrophobicContact CG-CD1 4.47Å; L203-L258 HydrophobicContact CD1-CD1 3.66Å; L203-L258 HydrophobicContact CD1-CD2 3.7Å; L203-L258 HydrophobicContact CD1-CG 4.15Å; L203-L258 HydrophobicContact CG-CD1 4.47Å; R254-L258 PolarHBondContact O-N 3.43Å; R254-L258 VanDerWaalsContact O-N 3.09Å; L255-L258 WeakPolarHBondContact O-CB 3.25Å; L255-L258 PolarHBondContact O-N 3.1Å; D256-L258 VanDerWaalsContact C-N 3.31Å; D256-L258 PolarHBondContact O-N 3.14Å; L258-E260 VanDerWaalsContact C-N 3.33Å; L258-M261 PolarHBondContact O-N 3.34Å; L258-L262 HydrophobicContact CD1-CD1 3.76Å; L258-L262 HydrophobicContact CG-CD1 4.36Å; L258-L262 PolarHBondContact O-N 3.49Å; L258-M337 HydrophobicContact CD2-CE 4.18Å
259	E	94.7	Very high	95	Very high	35 Å²	35	67.8 Å²	67.8	16%	0.164	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-41.5	179.6	-80.5	-170.6	178.5	0	0	111.6	L255 D256 M261 L262 T263 V334 R338	L255-E259 PolarHBondContact O-N 3.32Å; D256-E259 PolarHBondContact O-N 3.09Å; E259-M261 PolarHBondContact O-N 3.03Å; E259-L262 PolarHBondContact O-N 2.94Å; E259-T263 WeakPolarHBondContact CA-OG1 3.28Å; E259-T263 WeakPolarHBondContact O-CB 3.44Å; E259-T263 PolarHBondContact O-N 2.73Å; E259-T263 PolarHBondContact O-OG1 3.06Å; E259-T263 VanDerWaalsContact O-OG1 3.1Å; E259-V334 HydrophobicContact CG-CG1 3.65Å; E259-V334 WeakPolarHBondContact OE1-CG1 3.37Å; E259-R338 IonicContact OE1-CZ 3.21Å; E259-R338 IonicContact OE1-NE 3.85Å; E259-R338 IonicContact OE1-NH1 3.84Å; E259-R338 PolarHBondContact OE1-NH1 3.28Å; E259-R338 IonicContact OE1-NH2 2.79Å; E259-R338 PolarHBondContact OE1-NH2 2.9Å; E259-R338 IonicContact OE2-CZ 2.64Å; E259-R338 IonicContact OE2-NH1 3.19Å; E259-R338 PolarHBondContact OE2-NH1 3.48Å; E259-R338 IonicContact OE2-NH2 3.42Å; E259-R338 PolarHBondContact OE2-NH2 2.89Å
260	E	94.6	Very high	95.1	Very high	162 Å²	162	69.6 Å²	69.6	76%	0.757	34%	0.337	S	S	*	.	H	α-helix	trans	-62	-35.8	179.3	-174.6	150	-172.3	0	0	111.7	D256 L258	D256-E260 WeakPolarHBondContact O-CB 3.47Å; D256-E260 PolarHBondContact O-N 3.22Å; L258-E260 VanDerWaalsContact C-N 3.33Å
261	M	93.4	Very high	95.1	Very high	51 Å²	51	68.3 Å²	68.3	25%	0.251	32%	0.324	S	S	.	.	H	α-helix	trans	-74.2	-43.5	178	-170.2	-75.6	-153.7	0	0	113.3	A196 T198 P199 E257 L258 E259 N265	A196-M261 HydrophobicContact CB-CE 4.18Å; T198-M261 WeakPolarHBondContact OG1-CE 3.44Å; P199-M261 HydrophobicContact CG-CE 3.4Å; P199-M261 VanDerWaalsContact CG-CE 3.4Å; P199-M261 HydrophobicContact CG-SD 3.89Å; E257-M261 PolarHBondContact O-N 3.06Å; L258-M261 PolarHBondContact O-N 3.34Å; E259-M261 PolarHBondContact O-N 3.03Å; M261-N265 WeakPolarHBondContact O-CB 3.18Å
262	L	95	Very high	95.1	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-100.3	-49.2	-171	-71	175.8	0	0	0	113.5	V187 A191 A196 P199 L258 E259 N264 N265 W268 Y330	V187-L262 HydrophobicContact CG1-CD1 4.34Å; A191-L262 HydrophobicContact CB-CD1 4.22Å; A191-L262 HydrophobicContact CB-CD2 4.43Å; A196-L262 HydrophobicContact CB-CD2 4.18Å; P199-L262 HydrophobicContact CG-CD1 4.34Å; P199-L262 HydrophobicContact CG-CD2 4.44Å; P199-L262 HydrophobicContact CG-CG 4.4Å; L258-L262 HydrophobicContact CD1-CD1 3.76Å; L258-L262 HydrophobicContact CG-CD1 4.36Å; L258-L262 PolarHBondContact O-N 3.49Å; E259-L262 PolarHBondContact O-N 2.94Å; L262-N264 PolarHBondContact O-N 2.82Å; L262-N265 WeakPolarHBondContact O-CB 3.41Å; L262-N265 PolarHBondContact O-N 2.99Å; L262-N265 VanDerWaalsContact O-N 3.15Å; L262-W268 HydrophobicContact CD2-CD2 4.08Å; L262-W268 HydrophobicContact CD2-CE3 3.97Å; L262-W268 HydrophobicContact CD2-CG 4.48Å; L262-W268 HydrophobicContact CD2-CZ3 4.33Å; L262-W268 WeakPolarHBondContact O-CB 3.3Å; L262-W268 VanDerWaalsContact O-CD1 3.23Å; L262-Y330 WeakPolarHBondContact CB-OH 3.28Å; L262-Y330 HydrophobicContact CD1-CE2 4.18Å
263	T	96.2	Very high	95.2	Very high	18 Å²	18	67.6 Å²	67.6	11%	0.11	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-46.1	-165.3	-55.3	0	0	0	0	113	E259 Y327 Y330 L331	E259-T263 WeakPolarHBondContact CA-OG1 3.28Å; E259-T263 WeakPolarHBondContact O-CB 3.44Å; E259-T263 PolarHBondContact O-N 2.73Å; E259-T263 PolarHBondContact O-OG1 3.06Å; E259-T263 VanDerWaalsContact O-OG1 3.1Å; T263-Y327 WeakPolarHBondContact CG2-OH 3.39Å; T263-Y327 PolarHBondContact O-OH 2.88Å; T263-Y330 PolarHBondContact OG1-OH 2.86Å; T263-L331 HydrophobicContact CG2-CD2 3.83Å
264	N	95.2	Very high	95.2	Very high	122 Å²	122	66.8 Å²	66.8	65%	0.652	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-2.4	-177.8	-71.6	-35.2	0	0	0	113.5	L262 R266	L262-N264 PolarHBondContact O-N 2.82Å; N264-R266 PolarHBondContact O-N 3.07Å
265	N	96.4	Very high	95.2	Very high	56 Å²	56	63.6 Å²	63.6	30%	0.299	30%	0.301	S	S	.	.			trans	-70.2	124.9	-178.2	-176	-9.7	0	0	0	111	M261 L262 I267 W268 R269	M261-N265 WeakPolarHBondContact O-CB 3.18Å; L262-N265 WeakPolarHBondContact O-CB 3.41Å; L262-N265 PolarHBondContact O-N 2.99Å; L262-N265 VanDerWaalsContact O-N 3.15Å; N265-I267 PolarHBondContact O-N 3.35Å; N265-I267 PolarHBondContact OD1-N 2.93Å; N265-W268 HydrophobicContact CB-CB 4.01Å; N265-W268 PolarHBondContact O-N 3.36Å; N265-R269 WeakPolarHBondContact O-CG 3.33Å; N265-R269 PolarHBondContact O-N 3.49Å
266	R	96.4	Very high	95.2	Very high	197 Å²	197	63.6 Å²	63.6	74%	0.743	30%	0.301	S	S	*	.	H	α-helix	trans	-57.1	-37.3	178.7	80.1	175.6	81.3	171.3	4.1	112.5	N264 N270	N264-R266 PolarHBondContact O-N 3.07Å; R266-N270 WeakPolarHBondContact O-CB 3.48Å; R266-N270 PolarHBondContact O-N 3.35Å; R266-N270 PolarHBondContact O-ND2 3.43Å; R266-N270 PolarHBondContact O-OD1 3.13Å
267	I	95.8	Very high	95.2	Very high	112 Å²	112	63.9 Å²	63.9	57%	0.574	31%	0.305	S	S	*	.	H	α-helix	trans	-70.4	-45.9	-175.7	-59.6	173.9	0	0	0	108.7	N265 R269 N270 R271	N265-I267 PolarHBondContact O-N 3.35Å; N265-I267 PolarHBondContact OD1-N 2.93Å; I267-R269 PolarHBondContact O-N 3.31Å; I267-N270 PolarHBondContact O-N 2.92Å; I267-R271 HydrophobicContact CG2-CG 4.47Å; I267-R271 WeakPolarHBondContact O-CB 3.37Å; I267-R271 WeakPolarHBondContact O-CG 3.46Å; I267-R271 PolarHBondContact O-N 3.12Å; I267-R271 VanDerWaalsContact O-N 3.09Å
268	W	96.2	Very high	95.2	Very high	9 Å²	9	60.9 Å²	60.9	3%	0.034	29%	0.291	C	S	.	.	H	α-helix	trans	-57.8	-49.4	176.3	-174.7	-111.7	0	0	0	111.6	H190 A191 L194 L262 N265 N270 R271 T272 Y330	H190-W268 AromaticContact CD2-CH2 3.4Å; H190-W268 WeakPolarHBondContact CD2-CH2 3.31Å; H190-W268 AromaticContact CD2-CZ2 3.69Å; H190-W268 AromaticContact NE2-CH2 3.79Å; H190-W268 AromaticContact NE2-CZ2 4Å; A191-W268 HydrophobicContact CB-CH2 4.18Å; A191-W268 HydrophobicContact CB-CZ3 4.2Å; L194-W268 HydrophobicContact CB-CZ3 3.94Å; L194-W268 HydrophobicContact CD1-CE3 4Å; L194-W268 HydrophobicContact CD1-CH2 3.71Å; L194-W268 HydrophobicContact CD1-CZ3 3.34Å; L194-W268 HydrophobicContact CG-CZ3 4.2Å; L262-W268 HydrophobicContact CD2-CD2 4.08Å; L262-W268 HydrophobicContact CD2-CE3 3.97Å; L262-W268 HydrophobicContact CD2-CG 4.48Å; L262-W268 HydrophobicContact CD2-CZ3 4.33Å; L262-W268 WeakPolarHBondContact O-CB 3.3Å; L262-W268 VanDerWaalsContact O-CD1 3.23Å; N265-W268 HydrophobicContact CB-CB 4.01Å; N265-W268 PolarHBondContact O-N 3.36Å; W268-N270 PolarHBondContact O-N 2.8Å; W268-R271 CarbonylContact O-C 3.37Å; W268-R271 PolarHBondContact O-N 3.39Å; W268-R271 VanDerWaalsContact O-N 3.09Å; W268-T272 HydrophobicContact CD2-CG2 4.23Å; W268-T272 HydrophobicContact CZ2-CG2 4.15Å; W268-T272 WeakPolarHBondContact O-CG2 3.49Å; W268-T272 PolarHBondContact O-N 3.17Å; W268-T272 VanDerWaalsContact O-N 3.16Å; W268-T272 PolarHBondContact O-OG1 3Å; W268-Y330 AromaticContact CZ2-CD2 3.95Å; W268-Y330 HydrophobicContact CZ2-CD2 3.95Å; W268-Y330 HydrophobicContact CZ2-CE2 4.28Å; W268-Y330 HydrophobicContact CZ2-CG 4.24Å; W268-Y330 AromaticContact NE1-CD1 3.65Å; W268-Y330 AromaticContact NE1-CE1 3.74Å; W268-Y330 AromaticContact NE1-CG 3.9Å
269	R	96.2	Very high	95.3	Very high	104 Å²	104	64 Å²	64	39%	0.392	31%	0.311	S	S	.	.	H	α-helix	trans	-59.7	-46.9	178.1	-71.4	-176.9	72.7	160	6.3	112.2	N265 I267 R271 T272 I273 Y327	N265-R269 WeakPolarHBondContact O-CG 3.33Å; N265-R269 PolarHBondContact O-N 3.49Å; I267-R269 PolarHBondContact O-N 3.31Å; R269-R271 PolarHBondContact O-N 3.34Å; R269-T272 PolarHBondContact O-N 3.06Å; R269-I273 HydrophobicContact CB-CD1 3.7Å; R269-I273 HydrophobicContact CB-CG1 4.35Å; R269-I273 HydrophobicContact CG-CD1 4.11Å; R269-I273 VanDerWaalsContact O-CB 3.24Å; R269-I273 WeakPolarHBondContact O-CB 3.33Å; R269-I273 VanDerWaalsContact O-CG1 3.28Å; R269-I273 WeakPolarHBondContact O-CG1 3.23Å; R269-I273 PolarHBondContact O-N 3.04Å; R269-Y327 HydrophobicContact CG-CD2 4.45Å; R269-Y327 HydrophobicContact CG-CE2 3.83Å
270	N	95.6	Very high	95.3	Very high	129 Å²	129	64.3 Å²	64.3	69%	0.69	32%	0.319	S	S	*	.	H	α-helix	trans	-63.1	-24.3	177.1	-72.4	-8	0	0	0	113.4	R266 I267 W268	R266-N270 WeakPolarHBondContact O-CB 3.48Å; R266-N270 PolarHBondContact O-N 3.35Å; R266-N270 PolarHBondContact O-ND2 3.43Å; R266-N270 PolarHBondContact O-OD1 3.13Å; I267-N270 PolarHBondContact O-N 2.92Å; W268-N270 PolarHBondContact O-N 2.8Å
271	R	95.4	Very high	95.3	Very high	70 Å²	70	63.8 Å²	63.8	26%	0.264	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	2.7	-179.1	-65.4	-66.7	-65.9	142.7	8.3	113.7	I267 W268 R269 I275 A445 D446	I267-R271 HydrophobicContact CG2-CG 4.47Å; I267-R271 WeakPolarHBondContact O-CB 3.37Å; I267-R271 WeakPolarHBondContact O-CG 3.46Å; I267-R271 PolarHBondContact O-N 3.12Å; I267-R271 VanDerWaalsContact O-N 3.09Å; W268-R271 CarbonylContact O-C 3.37Å; W268-R271 PolarHBondContact O-N 3.39Å; W268-R271 VanDerWaalsContact O-N 3.09Å; R269-R271 PolarHBondContact O-N 3.34Å; R271-I275 VanDerWaalsContact C-CD1 3.46Å; R271-I275 WeakPolarHBondContact O-CD1 3.17Å; R271-A445 PolarHBondContact NH2-O 3.27Å; R271-D446 IonicContact CZ-OD1 2.71Å; R271-D446 IonicContact NH1-OD1 3.09Å; R271-D446 PolarHBondContact NH1-OD1 2.89Å
272	T	95.3	Very high	95.3	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.4	-31.8	-175.6	52.6	0	0	0	0	113.5	L194 W268 R269 C326 Y327	L194-T272 HydrophobicContact CD1-CG2 4.02Å; W268-T272 HydrophobicContact CD2-CG2 4.23Å; W268-T272 HydrophobicContact CZ2-CG2 4.15Å; W268-T272 WeakPolarHBondContact O-CG2 3.49Å; W268-T272 PolarHBondContact O-N 3.17Å; W268-T272 VanDerWaalsContact O-N 3.16Å; W268-T272 PolarHBondContact O-OG1 3Å; R269-T272 PolarHBondContact O-N 3.06Å; T272-C326 HydrophobicContact CG2-CB 4.45Å; T272-C326 WeakPolarHBondContact O-CB 3.17Å; T272-C326 PolarHBondContact O-N 3.41Å; T272-Y327 PolarHBondContact O-N 3.07Å; T272-Y327 WeakPolarHBondContact OG1-CD2 3.36Å
273	I	95.3	Very high	95.2	Very high	35 Å²	35	63.9 Å²	63.9	18%	0.179	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	137.4	174.5	-63.8	176.7	0	0	0	109.1	R269 I275 R323 Y327	R269-I273 HydrophobicContact CB-CD1 3.7Å; R269-I273 HydrophobicContact CB-CG1 4.35Å; R269-I273 HydrophobicContact CG-CD1 4.11Å; R269-I273 VanDerWaalsContact O-CB 3.24Å; R269-I273 WeakPolarHBondContact O-CB 3.33Å; R269-I273 VanDerWaalsContact O-CG1 3.28Å; R269-I273 WeakPolarHBondContact O-CG1 3.23Å; R269-I273 PolarHBondContact O-N 3.04Å; I273-I275 PolarHBondContact O-N 3.49Å; I273-R323 VanDerWaalsContact CG2-NH1 3.31Å; I273-Y327 HydrophobicContact CG1-CD1 4.25Å; I273-Y327 HydrophobicContact CG1-CD2 4.44Å; I273-Y327 HydrophobicContact CG1-CG 3.95Å
274	D	94.8	Very high	95.2	Very high	91 Å²	91	68 Å²	68	49%	0.487	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	14.1	-179.2	-68.4	-53.5	0	0	0	115.4	R323 H442	D274-R323 IonicContact OD1-CZ 3.23Å; D274-R323 IonicContact OD1-NH2 3.91Å; D274-R323 PolarHBondContact OD1-NH2 3.12Å; D274-R323 IonicContact OD2-CZ 2.85Å; D274-R323 IonicContact OD2-NH2 3.92Å; D274-R323 PolarHBondContact OD2-NH2 3.09Å; D274-H442 PolarHBondContact O-CE1 2.83Å
275	I	95.4	Very high	95.2	Very high	9 Å²	9	68.7 Å²	68.7	5%	0.046	34%	0.341	C	S	.	.	S	Bend	trans	-101.1	132.5	174.7	-55.1	-170	0	0	0	110.2	R271 I273 V277 C326 D446 A449 I450	R271-I275 VanDerWaalsContact C-CD1 3.46Å; R271-I275 WeakPolarHBondContact O-CD1 3.17Å; I273-I275 PolarHBondContact O-N 3.49Å; I275-V277 VanDerWaalsContact C-N 3.33Å; I275-V277 PolarHBondContact O-N 3.14Å; I275-C326 PolarHBondContact O-N 3.12Å; I275-C326 PolarHBondContact O-SG 3.42Å; I275-D446 HydrophobicContact CD1-CB 4.13Å; I275-D446 HydrophobicContact CG2-CB 3.9Å; I275-A449 HydrophobicContact CG2-CB 4.36Å; I275-I450 HydrophobicContact CG2-CD1 4.04Å; I275-I450 HydrophobicContact CG2-CG1 3.73Å
276	G	93.4	Very high	95.1	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	34%	0.344	C	S	.	.	S	Bend	trans	64.1	34.2	171.9	0	0	0	0	0	113.7	V278 R329 H442	G276-V278 WeakPolarHBondContact O-CG2 3.36Å; G276-V278 PolarHBondContact O-N 3.4Å; G276-R329 PolarHBondContact O-NH2 3.44Å; G276-H442 PolarHBondContact N-NE2 2.82Å
277	V	95.6	Very high	95.1	Very high	68 Å²	68	62.7 Å²	62.7	41%	0.412	33%	0.326	S	S	.	.			trans	-57.1	128.2	-177.4	177.7	0	0	0	0	110.9	I275 D325	I275-V277 VanDerWaalsContact C-N 3.33Å; I275-V277 PolarHBondContact O-N 3.14Å; V277-D325 HydrophobicContact CG2-CB 4.36Å
278	V	95.1	Very high	95.1	Very high	8 Å²	8	58 Å²	58	5%	0.048	30%	0.301	C	S	.	.			trans	-121.2	122.5	177.5	-177.8	0	0	0	0	109.6	G276 E282 A283 F288 S296 G324 M438	G276-V278 WeakPolarHBondContact O-CG2 3.36Å; G276-V278 PolarHBondContact O-N 3.4Å; V278-E282 HydrophobicContact CG1-CB 4.41Å; V278-A283 HydrophobicContact CG1-CB 3.76Å; V278-F288 HydrophobicContact CG1-CD2 4.07Å; V278-F288 HydrophobicContact CG1-CE2 3.85Å; V278-F288 HydrophobicContact CG2-CE2 4.04Å; V278-S296 WeakPolarHBondContact O-CB 3.47Å; V278-S296 PolarHBondContact O-OG 3.18Å; V278-G324 PolarHBondContact N-O 3.28Å; V278-M438 HydrophobicContact CG2-CG 3.67Å; V278-M438 HydrophobicContact CG2-SD 3.73Å
279	T	95.1	Very high	95	Very high	67 Å²	67	57.6 Å²	57.6	41%	0.411	30%	0.299	S	S	.	.			trans	-73.8	152.6	173.2	63.1	0	0	0	0	111.3	E281 E282 A283	T279-E281 VanDerWaalsContact C-N 3.3Å; T279-E281 PolarHBondContact O-N 3.15Å; T279-E282 PolarHBondContact O-N 3.35Å; T279-E282 WeakPolarHBondContact OG1-CB 3.39Å; T279-E282 WeakPolarHBondContact OG1-CG 3.46Å; T279-E282 PolarHBondContact OG1-N 3.32Å; T279-E282 PolarHBondContact OG1-OE2 3.49Å; T279-A283 PolarHBondContact O-N 3.26Å
280	A	94.5	Very high	94.9	Very high	41 Å²	41	52.7 Å²	52.7	34%	0.339	28%	0.281	S	S	.	.	H	α-helix	trans	-56.9	-41.3	-179.8	0	0	0	0	0	113	A283 L284 I298	A280-A283 PolarHBondContact O-N 3.23Å; A280-L284 WeakPolarHBondContact O-CG 3.34Å; A280-L284 PolarHBondContact O-N 3.26Å; A280-I298 HydrophobicContact CB-CD1 3.94Å; A280-I298 HydrophobicContact CB-CG1 3.9Å
281	E	94.9	Very high	94.9	Very high	152 Å²	152	46.6 Å²	46.6	71%	0.71	25%	0.249	S	C	*	.	H	α-helix	trans	-64.4	-42.5	178.5	-64.4	-179.8	-178	0	0	112	T279 L284 N285	T279-E281 VanDerWaalsContact C-N 3.3Å; T279-E281 PolarHBondContact O-N 3.15Å; E281-L284 PolarHBondContact O-N 2.97Å; E281-N285 WeakPolarHBondContact O-CB 3.48Å; E281-N285 VanDerWaalsContact O-CG 3.26Å; E281-N285 PolarHBondContact O-N 3.11Å; E281-N285 PolarHBondContact O-ND2 3.31Å; E281-N285 VanDerWaalsContact O-ND2 3.12Å
282	E	93	Very high	94.9	Very high	54 Å²	54	43.3 Å²	43.3	25%	0.252	24%	0.236	S	C	.	.	H	α-helix	trans	-67.7	-39.9	177.8	-69.4	168.1	159.3	0	0	111.5	V278 T279 L284 N285 Y286 K437	V278-E282 HydrophobicContact CG1-CB 4.41Å; T279-E282 PolarHBondContact O-N 3.35Å; T279-E282 WeakPolarHBondContact OG1-CB 3.39Å; T279-E282 WeakPolarHBondContact OG1-CG 3.46Å; T279-E282 PolarHBondContact OG1-N 3.32Å; T279-E282 PolarHBondContact OG1-OE2 3.49Å; E282-L284 VanDerWaalsContact C-N 3.29Å; E282-L284 PolarHBondContact O-N 3.39Å; E282-N285 PolarHBondContact O-N 3.06Å; E282-Y286 WeakPolarHBondContact O-CB 3.2Å; E282-Y286 VanDerWaalsContact O-CD2 3.28Å; E282-Y286 WeakPolarHBondContact O-CD2 3.34Å; E282-Y286 PolarHBondContact O-N 3.28Å; E282-K437 WeakPolarHBondContact OE1-CE 3.38Å; E282-K437 IonicContact OE1-NZ 2.78Å; E282-K437 PolarHBondContact OE1-NZ 2.88Å
283	A	94.3	Very high	94.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.5	-42.3	177.6	0	0	0	0	0	111.6	V278 T279 A280 G287 F288 L293	V278-A283 HydrophobicContact CG1-CB 3.76Å; T279-A283 PolarHBondContact O-N 3.26Å; A280-A283 PolarHBondContact O-N 3.23Å; A283-G287 PolarHBondContact O-N 2.64Å; A283-F288 HydrophobicContact CB-CB 4.42Å; A283-F288 HydrophobicContact CB-CD2 4.08Å; A283-F288 WeakPolarHBondContact O-CB 3.29Å; A283-F288 PolarHBondContact O-N 3.49Å; A283-L293 HydrophobicContact CB-CD2 3.74Å
284	L	95.1	Very high	94.9	Very high	104 Å²	104	42 Å²	42	55%	0.545	23%	0.23	S	C	.	.	H	α-helix	trans	-68.8	-46.5	175.8	-68.4	174.5	0	0	0	112.4	A280 E281 E282 Y286 G287 L293 I298	A280-L284 WeakPolarHBondContact O-CG 3.34Å; A280-L284 PolarHBondContact O-N 3.26Å; E281-L284 PolarHBondContact O-N 2.97Å; E282-L284 VanDerWaalsContact C-N 3.29Å; E282-L284 PolarHBondContact O-N 3.39Å; L284-Y286 VanDerWaalsContact C-N 3.31Å; L284-Y286 PolarHBondContact O-N 2.9Å; L284-G287 PolarHBondContact O-N 3.44Å; L284-L293 HydrophobicContact CD2-CD2 4.16Å; L284-I298 HydrophobicContact CD1-CD1 4.12Å; L284-I298 HydrophobicContact CD2-CD1 3.96Å; L284-I298 HydrophobicContact CG-CD1 3.73Å
285	N	96.4	Very high	94.8	Very high	136 Å²	136	37.7 Å²	37.7	73%	0.727	21%	0.207	S	C	*	.	H	α-helix	trans	-64.3	-34.9	-177.7	-75	-31.3	0	0	0	113	E281 E282 G287	E281-N285 WeakPolarHBondContact O-CB 3.48Å; E281-N285 VanDerWaalsContact O-CG 3.26Å; E281-N285 PolarHBondContact O-N 3.11Å; E281-N285 PolarHBondContact O-ND2 3.31Å; E281-N285 VanDerWaalsContact O-ND2 3.12Å; E282-N285 PolarHBondContact O-N 3.06Å; N285-G287 PolarHBondContact O-N 3.07Å
286	Y	94.4	Very high	94.7	Very high	93 Å²	93	37.9 Å²	37.9	37%	0.365	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-3.2	176.7	-80.8	-110	0	0	0	112.9	E282 L284 F288 K437	E282-Y286 WeakPolarHBondContact O-CB 3.2Å; E282-Y286 VanDerWaalsContact O-CD2 3.28Å; E282-Y286 WeakPolarHBondContact O-CD2 3.34Å; E282-Y286 PolarHBondContact O-N 3.28Å; L284-Y286 VanDerWaalsContact C-N 3.31Å; L284-Y286 PolarHBondContact O-N 2.9Å; Y286-F288 VanDerWaalsContact C-N 3.32Å; Y286-K437 HydrophobicContact CE1-CB 4.18Å; Y286-K437 HydrophobicContact CE1-CD 4.34Å; Y286-K437 HydrophobicContact CE2-CD 3.72Å; Y286-K437 WeakPolarHBondContact OH-CD 3.24Å
287	G	94.9	Very high	94.6	Very high	35 Å²	35	39.5 Å²	39.5	36%	0.361	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	30.7	-179.6	0	0	0	0	0	113.2	A283 L284 N285 A430	A283-G287 PolarHBondContact O-N 2.64Å; L284-G287 PolarHBondContact O-N 3.44Å; N285-G287 PolarHBondContact O-N 3.07Å; G287-A430 WeakPolarHBondContact O-CB 3.43Å
288	F	95.6	Very high	94.6	Very high	12 Å²	12	38 Å²	38	5%	0.053	22%	0.215	C	C	.	.			trans	-63.3	155.8	171.9	-68	-11	0	0	0	110.4	V278 A283 Y286 M292 L293 A430 H431 M438	V278-F288 HydrophobicContact CG1-CD2 4.07Å; V278-F288 HydrophobicContact CG1-CE2 3.85Å; V278-F288 HydrophobicContact CG2-CE2 4.04Å; A283-F288 HydrophobicContact CB-CB 4.42Å; A283-F288 HydrophobicContact CB-CD2 4.08Å; A283-F288 WeakPolarHBondContact O-CB 3.29Å; A283-F288 PolarHBondContact O-N 3.49Å; Y286-F288 VanDerWaalsContact C-N 3.32Å; F288-M292 HydrophobicContact CB-CB 4.02Å; F288-M292 HydrophobicContact CD2-CB 4.23Å; F288-M292 HydrophobicContact CD2-CE 3.98Å; F288-M292 HydrophobicContact CE2-CE 3.82Å; F288-M292 HydrophobicContact CG-CB 4.29Å; F288-M292 HydrophobicContact CZ-CE 4.37Å; F288-L293 HydrophobicContact CB-CD2 4.15Å; F288-L293 HydrophobicContact CB-CG 4.45Å; F288-L293 VanDerWaalsContact O-CD1 3.28Å; F288-L293 WeakPolarHBondContact O-CD1 3.46Å; F288-L293 WeakPolarHBondContact O-CD2 3.36Å; F288-L293 VanDerWaalsContact O-CG 3.3Å; F288-L293 WeakPolarHBondContact O-CG 3.14Å; F288-A430 WeakPolarHBondContact CE1-O 3.43Å; F288-H431 AromaticContact CD1-CD2 3.85Å; F288-M438 HydrophobicContact CE2-CE 4.34Å; F288-M438 HydrophobicContact CE2-SD 4.23Å; F288-M438 HydrophobicContact CZ-CE 3.75Å; F288-M438 HydrophobicContact CZ-SD 4.22Å
289	S	94.9	Very high	94.6	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.007	25%	0.248	C	C	.	.			trans	-148.1	164.6	178.9	60.8	0	0	0	0	110.9	E406 H431	S289-E406 PolarHBondContact OG-N 3.49Å; S289-H431 PolarHBondContact O-NE2 2.92Å; S289-H431 VanDerWaalsContact O-NE2 3.09Å
290	G	94.6	Very high	94.6	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.01	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	-136.7	178.3	0	0	0	0	0	114.1	M292 L293 R294 E401 G405	G290-M292 PolarHBondContact O-N 3.26Å; G290-M292 VanDerWaalsContact O-N 3.14Å; G290-L293 PolarHBondContact O-N 2.94Å; G290-R294 PolarHBondContact O-N 3.42Å; G290-R294 VanDerWaalsContact O-N 3.1Å; G290-E401 WeakPolarHBondContact CA-OE1 3.38Å; G290-G405 VanDerWaalsContact CA-CA 3.46Å
291	V	95.5	Very high	94.6	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-56.5	-31.9	-178.3	-173.7	0	0	0	0	111.9	L293 R294 G295 R329 C332 R333	V291-L293 PolarHBondContact O-N 3.21Å; V291-R294 PolarHBondContact O-N 2.68Å; V291-G295 PolarHBondContact O-N 3.3Å; V291-R329 HydrophobicContact CG1-CB 4.11Å; V291-R329 HydrophobicContact CG1-CG 4.19Å; V291-C332 HydrophobicContact CG1-CB 3.98Å; V291-R333 HydrophobicContact CG1-CG 4.09Å; V291-R333 HydrophobicContact CG2-CG 4.2Å
292	M	94.1	Very high	94.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-65.2	-36.7	177.5	-65.4	-66.4	-62.5	0	0	112.7	F288 G290 S296 R329 M438 Q454	F288-M292 HydrophobicContact CB-CB 4.02Å; F288-M292 HydrophobicContact CD2-CB 4.23Å; F288-M292 HydrophobicContact CD2-CE 3.98Å; F288-M292 HydrophobicContact CE2-CE 3.82Å; F288-M292 HydrophobicContact CG-CB 4.29Å; F288-M292 HydrophobicContact CZ-CE 4.37Å; G290-M292 PolarHBondContact O-N 3.26Å; G290-M292 VanDerWaalsContact O-N 3.14Å; M292-S296 PolarHBondContact O-OG 3.38Å; M292-R329 WeakPolarHBondContact SD-CD 3.42Å; M292-R329 PolarHBondContact SD-NH1 3.19Å; M292-M438 HydrophobicContact CE-CE 4.21Å; M292-M438 HydrophobicContact CE-SD 3.6Å; M292-Q454 HydrophobicContact CE-CG 4.19Å; M292-Q454 HydrophobicContact SD-CG 4.1Å
293	L	95	Very high	94.7	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.042	19%	0.186	C	C	.	.	H	α-helix	trans	-75.2	-44.2	174.3	-70.6	179.1	0	0	0	111.4	A283 L284 F288 G290 V291 G295 S296 I298 W300	A283-L293 HydrophobicContact CB-CD2 3.74Å; L284-L293 HydrophobicContact CD2-CD2 4.16Å; F288-L293 HydrophobicContact CB-CD2 4.15Å; F288-L293 HydrophobicContact CB-CG 4.45Å; F288-L293 VanDerWaalsContact O-CD1 3.28Å; F288-L293 WeakPolarHBondContact O-CD1 3.46Å; F288-L293 WeakPolarHBondContact O-CD2 3.36Å; F288-L293 VanDerWaalsContact O-CG 3.3Å; F288-L293 WeakPolarHBondContact O-CG 3.14Å; G290-L293 PolarHBondContact O-N 2.94Å; V291-L293 PolarHBondContact O-N 3.21Å; L293-G295 VanDerWaalsContact C-N 3.33Å; L293-G295 PolarHBondContact O-N 3.41Å; L293-S296 PolarHBondContact O-N 3.41Å; L293-I298 HydrophobicContact CB-CB 4.47Å; L293-I298 HydrophobicContact CD2-CD1 3.94Å; L293-I298 PolarHBondContact O-N 3.28Å; L293-W300 HydrophobicContact CD1-CG 4.46Å
294	R	95.4	Very high	94.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.8	-40.6	-179	-70.2	-169.9	-75	-85	6.7	111.8	G290 V291 S296 G297 W300 V318 P319 G321 E336 E401	G290-R294 PolarHBondContact O-N 3.42Å; G290-R294 VanDerWaalsContact O-N 3.1Å; V291-R294 PolarHBondContact O-N 2.68Å; R294-S296 PolarHBondContact O-N 2.63Å; R294-G297 PolarHBondContact O-N 2.87Å; R294-G297 VanDerWaalsContact O-N 3.09Å; R294-W300 PolarHBondContact NH1-O 3.37Å; R294-V318 HydrophobicContact CG-CG1 4.47Å; R294-P319 WeakPolarHBondContact CD-O 3.31Å; R294-G321 PolarHBondContact O-N 2.95Å; R294-E336 IonicContact CZ-OE1 3.95Å; R294-E336 IonicContact NE-OE1 2.66Å; R294-E336 PolarHBondContact NE-OE1 3.06Å; R294-E336 VanDerWaalsContact NH2-CD 3.32Å; R294-E336 IonicContact NH2-OE1 2.82Å; R294-E336 PolarHBondContact NH2-OE1 3.45Å; R294-E336 IonicContact NH2-OE2 3.53Å; R294-E336 PolarHBondContact NH2-OE2 3.19Å; R294-E401 IonicContact CZ-OE1 2.76Å; R294-E401 IonicContact NH1-OE1 3.82Å; R294-E401 PolarHBondContact NH1-OE1 2.86Å; R294-E401 IonicContact NH2-OE1 2.63Å; R294-E401 PolarHBondContact NH2-OE1 2.77Å
295	G	92.8	Very high	94.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-34.2	175.8	0	0	0	0	0	113.1	V291 L293 G297 G321 G324	V291-G295 PolarHBondContact O-N 3.3Å; L293-G295 VanDerWaalsContact C-N 3.33Å; L293-G295 PolarHBondContact O-N 3.41Å; G295-G297 VanDerWaalsContact C-N 3.27Å; G295-G297 PolarHBondContact O-N 2.93Å; G295-G321 CarbonylContact O-C 3.53Å; G295-G321 WeakPolarHBondContact O-CA 3.26Å; G295-G324 WeakPolarHBondContact O-CA 3.47Å; G295-G324 PolarHBondContact O-N 3.46Å
296	S	93.9	Very high	94.5	Very high	14 Å²	14	37.3 Å²	37.3	10%	0.098	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	6.3	177.8	-64	0	0	0	0	114.4	V278 M292 L293 R294	V278-S296 WeakPolarHBondContact O-CB 3.47Å; V278-S296 PolarHBondContact O-OG 3.18Å; M292-S296 PolarHBondContact O-OG 3.38Å; L293-S296 PolarHBondContact O-N 3.41Å; R294-S296 PolarHBondContact O-N 2.63Å
297	G	92.4	Very high	94.5	Very high	34 Å²	34	36 Å²	36	35%	0.351	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	5.9	175.4	0	0	0	0	0	115.7	R294 G295 G321	R294-G297 PolarHBondContact O-N 2.87Å; R294-G297 VanDerWaalsContact O-N 3.09Å; G295-G297 VanDerWaalsContact C-N 3.27Å; G295-G297 PolarHBondContact O-N 2.93Å; G297-G321 VanDerWaalsContact CA-O 3.29Å; G297-G321 WeakPolarHBondContact CA-O 3.44Å
298	I	95.2	Very high	94.5	Very high	35 Å²	35	35.5 Å²	35.5	18%	0.179	18%	0.182	C	C	.	.			trans	-85.1	124.7	178.6	-60.4	169.1	0	0	0	109.7	A280 L284 L293 W300	A280-I298 HydrophobicContact CB-CD1 3.94Å; A280-I298 HydrophobicContact CB-CG1 3.9Å; L284-I298 HydrophobicContact CD1-CD1 4.12Å; L284-I298 HydrophobicContact CD2-CD1 3.96Å; L284-I298 HydrophobicContact CG-CD1 3.73Å; L293-I298 HydrophobicContact CB-CB 4.47Å; L293-I298 HydrophobicContact CD2-CD1 3.94Å; L293-I298 PolarHBondContact O-N 3.28Å; I298-W300 VanDerWaalsContact C-N 3.33Å; I298-W300 HydrophobicContact CG2-CB 4Å; I298-W300 PolarHBondContact O-N 3.01Å
299	Q	95	Very high	94.3	Very high	158 Å²	158	36.2 Å²	36.2	74%	0.738	19%	0.186	S	C	*	.			trans	-80	77	178.5	-55.2	-169.7	-11.4	0	0	111	I320	Q299-I320 HydrophobicContact CB-CD1 4.46Å; Q299-I320 HydrophobicContact CG-CD1 3.64Å; Q299-I320 HydrophobicContact CG-CG1 4.39Å
300	W	94.4	Very high	94.3	Very high	95 Å²	95	36.3 Å²	36.3	36%	0.36	19%	0.187	S	C	.	.			trans	-134.5	122	-178.1	-170.3	-99	0	0	0	112.5	L293 R294 I298 L302 T305	L293-W300 HydrophobicContact CD1-CG 4.46Å; R294-W300 PolarHBondContact NH1-O 3.37Å; I298-W300 VanDerWaalsContact C-N 3.33Å; I298-W300 HydrophobicContact CG2-CB 4Å; I298-W300 PolarHBondContact O-N 3.01Å; W300-L302 HydrophobicContact CZ2-CD2 4.05Å; W300-T305 HydrophobicContact CE3-CG2 4.2Å; W300-T305 HydrophobicContact CZ3-CG2 4.19Å
301	D	95.3	Very high	94.3	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.027	19%	0.187	C	C	.	.			trans	-150	127.4	170.6	-173.7	-19.4	0	0	0	108.2	R303 K304 T305 V318 E401	D301-R303 PolarHBondContact O-N 3.46Å; D301-R303 WeakPolarHBondContact OD1-CB 3.32Å; D301-R303 PolarHBondContact OD1-N 2.94Å; D301-R303 IonicContact OD1-NE 2.85Å; D301-R303 PolarHBondContact OD1-NE 3.05Å; D301-R303 IonicContact OD2-CZ 3.75Å; D301-R303 IonicContact OD2-NE 3.43Å; D301-R303 PolarHBondContact OD2-NE 3.47Å; D301-R303 IonicContact OD2-NH2 3.09Å; D301-R303 PolarHBondContact OD2-NH2 3.42Å; D301-K304 PolarHBondContact O-N 3.37Å; D301-T305 PolarHBondContact O-N 3.42Å; D301-T305 PolarHBondContact O-OG1 3.37Å; D301-V318 HydrophobicContact CB-CG1 4.14Å; D301-V318 HydrophobicContact CB-CG2 4.02Å; D301-V318 WeakPolarHBondContact OD2-CG2 3.38Å; D301-E401 WeakPolarHBondContact OD1-CG 3.42Å
302	L	95.2	Very high	94.3	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-64.8	-30.2	179.7	-66.6	173.1	0	0	0	112.3	W300 K304 Q306 A399 E401 E406	W300-L302 HydrophobicContact CZ2-CD2 4.05Å; L302-K304 PolarHBondContact O-N 2.76Å; L302-Q306 HydrophobicContact CD2-CB 4.46Å; L302-Q306 CarbonylContact O-C 3.57Å; L302-Q306 WeakPolarHBondContact O-CA 3.45Å; L302-Q306 PolarHBondContact O-N 3.22Å; L302-A399 HydrophobicContact CD1-CB 4.11Å; L302-E401 HydrophobicContact CB-CB 4.15Å; L302-E401 PolarHBondContact N-OE2 2.93Å; L302-E406 HydrophobicContact CD1-CB 4.08Å; L302-E406 HydrophobicContact CD1-CG 3.77Å
303	R	94.7	Very high	94.3	Very high	6 Å²	6	45.9 Å²	45.9	2%	0.023	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-25.9	179.7	-64.6	174.9	-66.1	171.4	3	113	E176 R179 D301 Y308 Y311 F316 E401	E176-R303 IonicContact OE1-CZ 3.82Å; E176-R303 IonicContact OE1-NH1 2.9Å; E176-R303 PolarHBondContact OE1-NH1 3.38Å; E176-R303 IonicContact OE2-NH1 3.19Å; R179-R303 VanDerWaalsContact CZ-NH1 3.3Å; D301-R303 PolarHBondContact O-N 3.46Å; D301-R303 WeakPolarHBondContact OD1-CB 3.32Å; D301-R303 PolarHBondContact OD1-N 2.94Å; D301-R303 IonicContact OD1-NE 2.85Å; D301-R303 PolarHBondContact OD1-NE 3.05Å; D301-R303 IonicContact OD2-CZ 3.75Å; D301-R303 IonicContact OD2-NE 3.43Å; D301-R303 PolarHBondContact OD2-NE 3.47Å; D301-R303 IonicContact OD2-NH2 3.09Å; D301-R303 PolarHBondContact OD2-NH2 3.42Å; R303-Y308 HydrophobicContact CG-CE1 4.21Å; R303-Y311 HydrophobicContact CB-CD1 4.14Å; R303-Y311 HydrophobicContact CB-CG 4.1Å; R303-Y311 HydrophobicContact CG-CD1 4.06Å; R303-Y311 HydrophobicContact CG-CD2 4.21Å; R303-Y311 HydrophobicContact CG-CE1 4.15Å; R303-Y311 HydrophobicContact CG-CE2 4.33Å; R303-Y311 HydrophobicContact CG-CG 4.1Å; R303-F316 HydrophobicContact CB-CZ 3.76Å; R303-E401 HydrophobicContact CG-CB 3.86Å
304	K	93.4	Very high	94.3	Very high	93 Å²	93	45.6 Å²	45.6	40%	0.404	23%	0.233	S	C	.	.	H	α-helix	trans	-96.5	-43.6	176.5	-68	-61	-164.1	-174.9	0	112.7	D301 L302 F316 V318	D301-K304 PolarHBondContact O-N 3.37Å; L302-K304 PolarHBondContact O-N 2.76Å; K304-F316 HydrophobicContact CD-CE1 3.93Å; K304-F316 HydrophobicContact CD-CE2 4.18Å; K304-F316 HydrophobicContact CD-CZ 3.63Å; K304-F316 VanDerWaalsContact CE-CE1 3.49Å; K304-F316 WeakPolarHBondContact CE-O 3.33Å; K304-F316 HydrophobicContact CG-CE2 4.14Å; K304-F316 HydrophobicContact CG-CZ 3.85Å; K304-F316 PolarHBondContact NZ-O 3.25Å; K304-V318 HydrophobicContact CG-CG2 3.99Å
305	T	94.5	Very high	94.3	Very high	66 Å²	66	50.3 Å²	50.3	41%	0.405	26%	0.258	S	S	.	.	H	α-helix	trans	-80.8	-39.6	-173.3	54.5	0	0	0	0	112.9	W300 D301	W300-T305 HydrophobicContact CE3-CG2 4.2Å; W300-T305 HydrophobicContact CZ3-CG2 4.19Å; D301-T305 PolarHBondContact O-N 3.42Å; D301-T305 PolarHBondContact O-OG1 3.37Å
306	Q	94.1	Very high	94.5	Very high	123 Å²	123	50.5 Å²	50.5	58%	0.575	26%	0.259	S	S	*	.	S	Bend	trans	-132.4	67.4	-179.6	-62.9	-175.8	13.9	0	0	109.3	L302 Y308	L302-Q306 HydrophobicContact CD2-CB 4.46Å; L302-Q306 CarbonylContact O-C 3.57Å; L302-Q306 WeakPolarHBondContact O-CA 3.45Å; L302-Q306 PolarHBondContact O-N 3.22Å; Q306-Y308 PolarHBondContact O-N 2.75Å
307	P	94.4	Very high	94.6	Very high	67 Å²	67	54.5 Å²	54.5	44%	0.435	28%	0.279	S	S	.	.			trans	-59.9	137.1	-173.3	25.2	-33.9	0	0	0	111.1	D312	P307-D312 HydrophobicContact CB-CB 4.17Å; P307-D312 HydrophobicContact CG-CB 4.39Å
308	Y	94	Very high	94.8	Very high	24 Å²	24	54.7 Å²	54.7	9%	0.094	27%	0.274	C	S	.	.			trans	-118.5	160.8	171.6	52.1	-87	0	0	0	109.5	L153 R303 Q306 V310 Y311 I400 E401	L153-Y308 HydrophobicContact CD1-CD2 3.71Å; L153-Y308 HydrophobicContact CD1-CE2 4.46Å; L153-Y308 HydrophobicContact CD1-CG 4.04Å; R303-Y308 HydrophobicContact CG-CE1 4.21Å; Q306-Y308 PolarHBondContact O-N 2.75Å; Y308-V310 PolarHBondContact O-N 2.59Å; Y308-V310 VanDerWaalsContact O-N 3.08Å; Y308-Y311 AromaticContact CD2-CD2 3.95Å; Y308-Y311 HydrophobicContact CD2-CD2 3.95Å; Y308-Y311 AromaticContact CD2-CE2 3.93Å; Y308-Y311 HydrophobicContact CD2-CE2 3.93Å; Y308-Y311 AromaticContact CE2-CD2 3.77Å; Y308-Y311 HydrophobicContact CE2-CD2 3.77Å; Y308-Y311 AromaticContact CE2-CE2 3.36Å; Y308-Y311 HydrophobicContact CE2-CE2 3.36Å; Y308-Y311 HydrophobicContact CG-CD2 4.43Å; Y308-Y311 AromaticContact CZ-CE2 3.75Å; Y308-Y311 WeakPolarHBondContact O-CD2 3.45Å; Y308-Y311 PolarHBondContact O-N 2.84Å; Y308-I400 HydrophobicContact CD1-CG2 4.38Å; Y308-I400 HydrophobicContact CD2-CG2 4.21Å; Y308-I400 HydrophobicContact CE1-CB 4.01Å; Y308-I400 HydrophobicContact CE1-CG2 4.14Å; Y308-I400 HydrophobicContact CE2-CB 4.14Å; Y308-I400 HydrophobicContact CE2-CG2 3.91Å; Y308-I400 HydrophobicContact CG-CG2 4.43Å; Y308-E401 PolarHBondContact OH-N 3Å; Y308-E401 VanDerWaalsContact OH-N 3.17Å
309	D	92.3	Very high	94.9	Very high	27 Å²	27	53.5 Å²	53.5	14%	0.144	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	-111.8	-173.1	-65.2	-44.5	0	0	0	112.2	Q149 Q168 R171 V172	Q149-D309 PolarHBondContact NE2-OD2 2.86Å; Q168-D309 HydrophobicContact CB-CB 4.08Å; Q168-D309 HydrophobicContact CG-CB 4.34Å; R171-D309 IonicContact NH1-OD1 2.89Å; V172-D309 HydrophobicContact CG2-CB 3.93Å
310	V	94.9	Very high	94.9	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.018	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	26.1	-176.4	-77.1	0	0	0	0	113.3	Q168 W169 V172 Y308 D312 Q313	Q168-V310 HydrophobicContact CB-CG1 4.09Å; Q168-V310 HydrophobicContact CB-CG2 4.02Å; W169-V310 HydrophobicContact CD2-CG2 3.85Å; W169-V310 HydrophobicContact CE3-CG2 4.2Å; W169-V310 HydrophobicContact CG-CG2 4.03Å; W169-V310 HydrophobicContact CZ2-CB 4.45Å; V172-V310 HydrophobicContact CB-CG2 4.25Å; V172-V310 HydrophobicContact CG2-CG2 3.65Å; Y308-V310 PolarHBondContact O-N 2.59Å; Y308-V310 VanDerWaalsContact O-N 3.08Å; V310-D312 VanDerWaalsContact C-OD1 3.31Å; V310-D312 WeakPolarHBondContact CA-OD1 3.39Å; V310-D312 PolarHBondContact O-N 2.88Å; V310-Q313 PolarHBondContact O-N 2.99Å
311	Y	94.4	Very high	94.9	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.016	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-65.4	-17	175.1	-79.4	-72.3	0	0	0	113.7	V172 E176 R303 Y308 Q313 V314 F316	V172-Y311 HydrophobicContact CG1-CD1 4.23Å; V172-Y311 HydrophobicContact CG1-CE1 3.8Å; V172-Y311 HydrophobicContact CG1-CE2 4.45Å; V172-Y311 HydrophobicContact CG2-CD2 4.09Å; V172-Y311 HydrophobicContact CG2-CE2 3.84Å; E176-Y311 HydrophobicContact CG-CE1 4.34Å; E176-Y311 VanDerWaalsContact OE1-CE1 3.31Å; E176-Y311 WeakPolarHBondContact OE1-CE1 3.38Å; E176-Y311 PolarHBondContact OE1-OH 2.64Å; R303-Y311 HydrophobicContact CB-CD1 4.14Å; R303-Y311 HydrophobicContact CB-CG 4.1Å; R303-Y311 HydrophobicContact CG-CD1 4.06Å; R303-Y311 HydrophobicContact CG-CD2 4.21Å; R303-Y311 HydrophobicContact CG-CE1 4.15Å; R303-Y311 HydrophobicContact CG-CE2 4.33Å; R303-Y311 HydrophobicContact CG-CG 4.1Å; Y308-Y311 AromaticContact CD2-CD2 3.95Å; Y308-Y311 HydrophobicContact CD2-CD2 3.95Å; Y308-Y311 AromaticContact CD2-CE2 3.93Å; Y308-Y311 HydrophobicContact CD2-CE2 3.93Å; Y308-Y311 AromaticContact CE2-CD2 3.77Å; Y308-Y311 HydrophobicContact CE2-CD2 3.77Å; Y308-Y311 AromaticContact CE2-CE2 3.36Å; Y308-Y311 HydrophobicContact CE2-CE2 3.36Å; Y308-Y311 HydrophobicContact CG-CD2 4.43Å; Y308-Y311 AromaticContact CZ-CE2 3.75Å; Y308-Y311 WeakPolarHBondContact O-CD2 3.45Å; Y308-Y311 PolarHBondContact O-N 2.84Å; Y311-Q313 VanDerWaalsContact C-N 3.34Å; Y311-V314 HydrophobicContact CD1-CG2 4.21Å; Y311-V314 WeakPolarHBondContact O-CG2 3.44Å; Y311-F316 HydrophobicContact CD1-CE1 4.43Å
312	D	94.8	Very high	94.7	Very high	104 Å²	104	50.3 Å²	50.3	56%	0.556	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-73.4	-21.5	175.2	62.1	-26.3	0	0	0	113.7	P307 V310	P307-D312 HydrophobicContact CB-CB 4.17Å; P307-D312 HydrophobicContact CG-CB 4.39Å; V310-D312 VanDerWaalsContact C-OD1 3.31Å; V310-D312 WeakPolarHBondContact CA-OD1 3.39Å; V310-D312 PolarHBondContact O-N 2.88Å
313	Q	94.1	Very high	94.6	Very high	95 Å²	95	56 Å²	56	44%	0.444	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-99.5	-0.6	-176.7	-66.5	172	34.5	0	0	113.9	W169 V310 Y311 K350	W169-Q313 HydrophobicContact CH2-CB 4.18Å; W169-Q313 HydrophobicContact CZ2-CB 4.22Å; V310-Q313 PolarHBondContact O-N 2.99Å; Y311-Q313 VanDerWaalsContact C-N 3.34Å; Q313-K350 PolarHBondContact O-NZ 3.12Å
314	V	95	Very high	94.5	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.012	29%	0.293	C	S	.	.	S	Bend	trans	-111.7	137.5	-179.6	-66.6	0	0	0	0	111.5	W169 Y311 F316 I343	W169-V314 HydrophobicContact CH2-CG1 4.12Å; W169-V314 HydrophobicContact CZ3-CG1 3.82Å; Y311-V314 HydrophobicContact CD1-CG2 4.21Å; Y311-V314 WeakPolarHBondContact O-CG2 3.44Å; V314-F316 HydrophobicContact CG2-CD1 4.08Å; V314-F316 HydrophobicContact CG2-CE1 4.21Å; V314-I343 HydrophobicContact CB-CG2 4.35Å; V314-I343 HydrophobicContact CG1-CG2 4.31Å; V314-I343 HydrophobicContact CG2-CG2 4.24Å
315	D	96.1	Very high	94.5	Very high	99 Å²	99	51.2 Å²	51.2	53%	0.529	27%	0.274	S	S	.	.			trans	-98.4	111.1	-176.3	-62.3	-39.4	0	0	0	109.7	R342 Q346	D315-R342 PolarHBondContact O-NE 3.14Å; D315-Q346 PolarHBondContact O-NE2 3.43Å
316	F	96.9	Very high	94.6	Very high	5 Å²	5	48.1 Å²	48.1	2%	0.022	25%	0.254	C	S	.	.			trans	-148.7	157.3	176.6	70.6	-83	0	0	0	110.3	R303 K304 Y311 V314 V318 I343	R303-F316 HydrophobicContact CB-CZ 3.76Å; K304-F316 HydrophobicContact CD-CE1 3.93Å; K304-F316 HydrophobicContact CD-CE2 4.18Å; K304-F316 HydrophobicContact CD-CZ 3.63Å; K304-F316 VanDerWaalsContact CE-CE1 3.49Å; K304-F316 WeakPolarHBondContact CE-O 3.33Å; K304-F316 HydrophobicContact CG-CE2 4.14Å; K304-F316 HydrophobicContact CG-CZ 3.85Å; K304-F316 PolarHBondContact NZ-O 3.25Å; Y311-F316 HydrophobicContact CD1-CE1 4.43Å; V314-F316 HydrophobicContact CG2-CD1 4.08Å; V314-F316 HydrophobicContact CG2-CE1 4.21Å; F316-V318 HydrophobicContact CD2-CG2 4.3Å; F316-V318 HydrophobicContact CE2-CG2 3.82Å; F316-I343 HydrophobicContact CB-CD1 3.96Å; F316-I343 HydrophobicContact CB-CG1 3.81Å; F316-I343 HydrophobicContact CD1-CD1 3.88Å; F316-I343 HydrophobicContact CD1-CG1 4.1Å; F316-I343 HydrophobicContact CD2-CD1 4.22Å; F316-I343 HydrophobicContact CE1-CD1 4.42Å; F316-I343 HydrophobicContact CG-CD1 3.77Å; F316-I343 HydrophobicContact CG-CG1 4.07Å
317	D	96.4	Very high	94.7	Very high	97 Å²	97	43.3 Å²	43.3	52%	0.519	23%	0.231	S	C	.	.			trans	-107.5	153	178.4	-53.9	-54.4	0	0	0	109.6	Q339 R342	D317-Q339 VanDerWaalsContact N-OE1 3.11Å; D317-Q339 VanDerWaalsContact O-CG 3.27Å; D317-Q339 WeakPolarHBondContact O-CG 3.39Å; D317-R342 IonicContact OD2-NH1 2.87Å; D317-R342 PolarHBondContact OD2-NH1 2.72Å
318	V	96.4	Very high	94.8	Very high	39 Å²	39	41 Å²	41	24%	0.236	22%	0.216	C	C	.	.			trans	-109	123.4	-179.5	178.6	0	0	0	0	108.5	R294 D301 K304 F316	R294-V318 HydrophobicContact CG-CG1 4.47Å; D301-V318 HydrophobicContact CB-CG1 4.14Å; D301-V318 HydrophobicContact CB-CG2 4.02Å; D301-V318 WeakPolarHBondContact OD2-CG2 3.38Å; K304-V318 HydrophobicContact CG-CG2 3.99Å; F316-V318 HydrophobicContact CD2-CG2 4.3Å; F316-V318 HydrophobicContact CE2-CG2 3.82Å
319	P	96.3	Very high	94.9	Very high	9 Å²	9	40 Å²	40	6%	0.058	21%	0.211	C	C	.	.			trans	-74.7	143.6	179.8	32	-35.2	0	0	0	111.2	R294 C332 E335 E336	R294-P319 WeakPolarHBondContact CD-O 3.31Å; P319-C332 HydrophobicContact CB-CB 4.48Å; P319-C332 HydrophobicContact CG-CB 4.25Å; P319-C332 WeakPolarHBondContact CG-O 3.08Å; P319-E335 HydrophobicContact CB-CB 3.78Å; P319-E335 WeakPolarHBondContact CB-OE2 3.4Å; P319-E335 HydrophobicContact CG-CB 4.04Å; P319-E336 HydrophobicContact CG-CG 3.72Å
320	I	95.8	Very high	95.2	Very high	74 Å²	74	38.9 Å²	38.9	38%	0.379	21%	0.205	S	C	.	.			trans	-130.7	127.9	-177.3	-59.3	154.8	0	0	0	108.2	Q299	Q299-I320 HydrophobicContact CB-CD1 4.46Å; Q299-I320 HydrophobicContact CG-CD1 3.64Å; Q299-I320 HydrophobicContact CG-CG1 4.39Å
321	G	93.4	Very high	95.3	Very high	8 Å²	8	40.8 Å²	40.8	8%	0.082	22%	0.215	C	C	.	.			trans	-79.1	166.1	174.2	0	0	0	0	0	112.3	R294 G295 G297	R294-G321 PolarHBondContact O-N 2.95Å; G295-G321 CarbonylContact O-C 3.53Å; G295-G321 WeakPolarHBondContact O-CA 3.26Å; G297-G321 VanDerWaalsContact CA-O 3.29Å; G297-G321 WeakPolarHBondContact CA-O 3.44Å
322	S	92.6	Very high	95.4	Very high	110 Å²	110	40.8 Å²	40.8	77%	0.769	22%	0.216	S	C	*	.	S	Bend	trans	-112.7	-40.1	-176	-64.1	0	0	0	0	112.8	D328	S322-D328 PolarHBondContact N-OD2 2.68Å
323	R	91.4	Very high	95.5	Very high	120 Å²	120	36.4 Å²	36.4	45%	0.453	19%	0.191	S	C	.	.	S	Bend	trans	-104.6	-21.5	-171	-63.4	175.4	69.5	-178.6	4.4	113.3	I273 D274 D328	I273-R323 VanDerWaalsContact CG2-NH1 3.31Å; D274-R323 IonicContact OD1-CZ 3.23Å; D274-R323 IonicContact OD1-NH2 3.91Å; D274-R323 PolarHBondContact OD1-NH2 3.12Å; D274-R323 IonicContact OD2-CZ 2.85Å; D274-R323 IonicContact OD2-NH2 3.92Å; D274-R323 PolarHBondContact OD2-NH2 3.09Å; R323-D328 PolarHBondContact N-OD2 2.92Å
324	G	92.6	Very high	95.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.17	C	C	.	.			trans	77.2	18.2	-176.5	0	0	0	0	0	114.6	V278 G295 R329	V278-G324 PolarHBondContact N-O 3.28Å; G295-G324 WeakPolarHBondContact O-CA 3.47Å; G295-G324 PolarHBondContact O-N 3.46Å; G324-R329 PolarHBondContact O-NH2 3.33Å
325	D	94.9	Very high	95.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-84.1	177.1	177.2	63.3	5.8	0	0	0	112.3	V277 Y327 D328 R329	V277-D325 HydrophobicContact CG2-CB 4.36Å; D325-Y327 PolarHBondContact O-N 3.4Å; D325-Y327 PolarHBondContact OD1-N 3.45Å; D325-D328 VanDerWaalsContact OD1-CB 3.29Å; D325-D328 WeakPolarHBondContact OD1-CB 3.49Å; D325-D328 VanDerWaalsContact OD1-CG 3.23Å; D325-D328 PolarHBondContact OD1-N 3.48Å; D325-R329 PolarHBondContact O-N 2.75Å; D325-R329 PolarHBondContact O-NE 3.18Å
326	C	95.7	Very high	95.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-31.3	175.6	-63.9	0	0	0	0	112.1	T272 I275 R329 Y330 T453	T272-C326 HydrophobicContact CG2-CB 4.45Å; T272-C326 WeakPolarHBondContact O-CB 3.17Å; T272-C326 PolarHBondContact O-N 3.41Å; I275-C326 PolarHBondContact O-N 3.12Å; I275-C326 PolarHBondContact O-SG 3.42Å; C326-R329 PolarHBondContact O-N 3.16Å; C326-Y330 PolarHBondContact O-N 3.15Å; C326-T453 HydrophobicContact CB-CG2 4.31Å; C326-T453 VanDerWaalsContact SG-CG2 3.53Å
327	Y	97	Very high	95.8	Very high	22 Å²	22	31 Å²	31	9%	0.086	16%	0.163	C	C	.	.	H	α-helix	trans	-70.6	-45.5	-177.4	-174.2	-105	0	0	0	112.2	T263 R269 T272 I273 D325 R329 Y330 L331	T263-Y327 WeakPolarHBondContact CG2-OH 3.39Å; T263-Y327 PolarHBondContact O-OH 2.88Å; R269-Y327 HydrophobicContact CG-CD2 4.45Å; R269-Y327 HydrophobicContact CG-CE2 3.83Å; T272-Y327 PolarHBondContact O-N 3.07Å; T272-Y327 WeakPolarHBondContact OG1-CD2 3.36Å; I273-Y327 HydrophobicContact CG1-CD1 4.25Å; I273-Y327 HydrophobicContact CG1-CD2 4.44Å; I273-Y327 HydrophobicContact CG1-CG 3.95Å; D325-Y327 PolarHBondContact O-N 3.4Å; D325-Y327 PolarHBondContact OD1-N 3.45Å; Y327-R329 VanDerWaalsContact C-N 3.26Å; Y327-R329 PolarHBondContact O-N 3.47Å; Y327-Y330 HydrophobicContact CD2-CD1 4.35Å; Y327-Y330 HydrophobicContact CE2-CD1 4.34Å; Y327-Y330 WeakPolarHBondContact O-CA 3.27Å; Y327-Y330 WeakPolarHBondContact O-CB 3.22Å; Y327-Y330 PolarHBondContact O-N 3.03Å; Y327-L331 HydrophobicContact CD1-CD1 3.95Å; Y327-L331 HydrophobicContact CD1-CG 4.37Å; Y327-L331 HydrophobicContact CE1-CD1 3.55Å; Y327-L331 HydrophobicContact CE1-CG 4.1Å; Y327-L331 PolarHBondContact O-N 3.47Å
328	D	96.1	Very high	95.8	Very high	20 Å²	20	30.5 Å²	30.5	11%	0.107	15%	0.154	C	C	.	.	H	α-helix	trans	-60.9	-38.5	174.8	-76.2	-4.5	0	0	0	111.2	S322 R323 D325 Y330 L331 C332	S322-D328 PolarHBondContact N-OD2 2.68Å; R323-D328 PolarHBondContact N-OD2 2.92Å; D325-D328 VanDerWaalsContact OD1-CB 3.29Å; D325-D328 WeakPolarHBondContact OD1-CB 3.49Å; D325-D328 VanDerWaalsContact OD1-CG 3.23Å; D325-D328 PolarHBondContact OD1-N 3.48Å; D328-Y330 VanDerWaalsContact C-N 3.34Å; D328-L331 PolarHBondContact O-N 3.19Å; D328-C332 WeakPolarHBondContact O-CB 3.41Å; D328-C332 PolarHBondContact O-N 3.36Å; D328-C332 PolarHBondContact O-SG 3.2Å
329	R	96.8	Very high	95.8	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	15%	0.151	C	C	.	.	H	α-helix	trans	-66.1	-34.6	174.1	-75.8	177.9	-100.7	179.3	-17	112.9	G276 V291 M292 G324 D325 C326 Y327 R333 T453	G276-R329 PolarHBondContact O-NH2 3.44Å; V291-R329 HydrophobicContact CG1-CB 4.11Å; V291-R329 HydrophobicContact CG1-CG 4.19Å; M292-R329 WeakPolarHBondContact SD-CD 3.42Å; M292-R329 PolarHBondContact SD-NH1 3.19Å; G324-R329 PolarHBondContact O-NH2 3.33Å; D325-R329 PolarHBondContact O-N 2.75Å; D325-R329 PolarHBondContact O-NE 3.18Å; C326-R329 PolarHBondContact O-N 3.16Å; Y327-R329 VanDerWaalsContact C-N 3.26Å; Y327-R329 PolarHBondContact O-N 3.47Å; R329-R333 WeakPolarHBondContact O-CG 3.03Å; R329-R333 PolarHBondContact O-N 2.7Å; R329-T453 VanDerWaalsContact NH1-CG2 3.27Å
330	Y	97.1	Very high	95.9	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.016	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-49.7	172.1	159.8	-100.4	0	0	0	110.6	V187 L262 T263 W268 C326 Y327 D328 C332 R333 V334	V187-Y330 HydrophobicContact CG1-CD2 4.06Å; V187-Y330 HydrophobicContact CG1-CE2 3.64Å; V187-Y330 HydrophobicContact CG2-CD2 4.3Å; V187-Y330 HydrophobicContact CG2-CE2 4.49Å; L262-Y330 WeakPolarHBondContact CB-OH 3.28Å; L262-Y330 HydrophobicContact CD1-CE2 4.18Å; T263-Y330 PolarHBondContact OG1-OH 2.86Å; W268-Y330 AromaticContact CZ2-CD2 3.95Å; W268-Y330 HydrophobicContact CZ2-CD2 3.95Å; W268-Y330 HydrophobicContact CZ2-CE2 4.28Å; W268-Y330 HydrophobicContact CZ2-CG 4.24Å; W268-Y330 AromaticContact NE1-CD1 3.65Å; W268-Y330 AromaticContact NE1-CE1 3.74Å; W268-Y330 AromaticContact NE1-CG 3.9Å; C326-Y330 PolarHBondContact O-N 3.15Å; Y327-Y330 HydrophobicContact CD2-CD1 4.35Å; Y327-Y330 HydrophobicContact CE2-CD1 4.34Å; Y327-Y330 WeakPolarHBondContact O-CA 3.27Å; Y327-Y330 WeakPolarHBondContact O-CB 3.22Å; Y327-Y330 PolarHBondContact O-N 3.03Å; D328-Y330 VanDerWaalsContact C-N 3.34Å; Y330-C332 VanDerWaalsContact C-N 3.34Å; Y330-C332 PolarHBondContact O-N 3.47Å; Y330-R333 PolarHBondContact O-N 3.16Å; Y330-R333 VanDerWaalsContact O-N 3.12Å; Y330-V334 HydrophobicContact CD2-CG2 4.18Å; Y330-V334 HydrophobicContact CE1-CG2 4.37Å; Y330-V334 HydrophobicContact CE2-CG2 3.68Å; Y330-V334 WeakPolarHBondContact O-CG2 3.28Å; Y330-V334 PolarHBondContact O-N 3.12Å; Y330-V334 VanDerWaalsContact O-N 3.09Å
331	L	96.9	Very high	95.9	Very high	44 Å²	44	27.2 Å²	27.2	23%	0.23	13%	0.134	C	C	.	.	H	α-helix	trans	-59.3	-43.4	177.3	-67.9	179.1	0	0	0	112	T263 Y327 D328 R333 V334 E335	T263-L331 HydrophobicContact CG2-CD2 3.83Å; Y327-L331 HydrophobicContact CD1-CD1 3.95Å; Y327-L331 HydrophobicContact CD1-CG 4.37Å; Y327-L331 HydrophobicContact CE1-CD1 3.55Å; Y327-L331 HydrophobicContact CE1-CG 4.1Å; Y327-L331 PolarHBondContact O-N 3.47Å; D328-L331 PolarHBondContact O-N 3.19Å; L331-R333 VanDerWaalsContact C-N 3.28Å; L331-R333 PolarHBondContact O-N 3.09Å; L331-V334 PolarHBondContact O-N 3.06Å; L331-V334 VanDerWaalsContact O-N 3.13Å; L331-E335 PolarHBondContact O-N 2.97Å
332	C	96.6	Very high	96.1	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.027	15%	0.148	C	C	.	.	H	α-helix	trans	-56.6	-41.8	175.7	-70.2	0	0	0	0	112	V291 P319 D328 Y330 E336	V291-C332 HydrophobicContact CG1-CB 3.98Å; P319-C332 HydrophobicContact CB-CB 4.48Å; P319-C332 HydrophobicContact CG-CB 4.25Å; P319-C332 WeakPolarHBondContact CG-O 3.08Å; D328-C332 WeakPolarHBondContact O-CB 3.41Å; D328-C332 PolarHBondContact O-N 3.36Å; D328-C332 PolarHBondContact O-SG 3.2Å; Y330-C332 VanDerWaalsContact C-N 3.34Å; Y330-C332 PolarHBondContact O-N 3.47Å; C332-E336 WeakPolarHBondContact O-CB 3.42Å; C332-E336 VanDerWaalsContact O-CG 3.32Å; C332-E336 WeakPolarHBondContact O-CG 3.42Å; C332-E336 PolarHBondContact O-N 3.22Å
333	R	97.2	Very high	96.3	Very high	11 Å²	11	26.5 Å²	26.5	4%	0.042	11%	0.112	C	C	.	.	H	α-helix	trans	-66.6	-40.2	177.4	-72.9	-178	175.8	97.4	-1.5	112.3	V187 V291 R329 Y330 L331 E336 M337 T453	V187-R333 HydrophobicContact CG2-CB 4.05Å; V291-R333 HydrophobicContact CG1-CG 4.09Å; V291-R333 HydrophobicContact CG2-CG 4.2Å; R329-R333 WeakPolarHBondContact O-CG 3.03Å; R329-R333 PolarHBondContact O-N 2.7Å; Y330-R333 PolarHBondContact O-N 3.16Å; Y330-R333 VanDerWaalsContact O-N 3.12Å; L331-R333 VanDerWaalsContact C-N 3.28Å; L331-R333 PolarHBondContact O-N 3.09Å; R333-E336 PolarHBondContact O-N 2.8Å; R333-M337 WeakPolarHBondContact O-CG 3.33Å; R333-M337 PolarHBondContact O-N 3.12Å; R333-T453 PolarHBondContact NH1-O 3.35Å; R333-T453 PolarHBondContact NH2-O 3.41Å
334	V	96.7	Very high	96.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-68.4	-42.5	179.4	-176.8	0	0	0	0	111.1	E259 Y330 L331 M337 R338	E259-V334 HydrophobicContact CG-CG1 3.65Å; E259-V334 WeakPolarHBondContact OE1-CG1 3.37Å; Y330-V334 HydrophobicContact CD2-CG2 4.18Å; Y330-V334 HydrophobicContact CE1-CG2 4.37Å; Y330-V334 HydrophobicContact CE2-CG2 3.68Å; Y330-V334 WeakPolarHBondContact O-CG2 3.28Å; Y330-V334 PolarHBondContact O-N 3.12Å; Y330-V334 VanDerWaalsContact O-N 3.09Å; L331-V334 PolarHBondContact O-N 3.06Å; L331-V334 VanDerWaalsContact O-N 3.13Å; V334-M337 HydrophobicContact CB-CE 4.21Å; V334-M337 HydrophobicContact CG1-CE 4.23Å; V334-M337 HydrophobicContact CG2-CE 4.02Å; V334-M337 WeakPolarHBondContact O-CB 3.44Å; V334-M337 PolarHBondContact O-N 3.31Å; V334-R338 PolarHBondContact O-N 3.04Å
335	E	97.3	Very high	96.8	Very high	87 Å²	87	23 Å²	23	41%	0.407	10%	0.104	S	C	.	.	H	α-helix	trans	-65.9	-37.9	173.7	-70.9	-176.4	-174.9	0	0	112	P319 L331 M337 R338 Q339	P319-E335 HydrophobicContact CB-CB 3.78Å; P319-E335 WeakPolarHBondContact CB-OE2 3.4Å; P319-E335 HydrophobicContact CG-CB 4.04Å; L331-E335 PolarHBondContact O-N 2.97Å; E335-M337 VanDerWaalsContact C-N 3.28Å; E335-M337 PolarHBondContact O-N 3.37Å; E335-R338 WeakPolarHBondContact O-CB 3.46Å; E335-R338 PolarHBondContact O-N 3.24Å; E335-R338 VanDerWaalsContact O-N 3.11Å; E335-Q339 WeakPolarHBondContact O-CG 3.12Å; E335-Q339 PolarHBondContact O-N 3.36Å
336	E	97.2	Very high	96.8	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.009	11%	0.11	C	C	.	.	H	α-helix	trans	-59.4	-38.1	171.9	-82.7	178.3	-143.1	0	0	111.7	R179 H183 R294 P319 C332 R333 R338 Q339 S340	R179-E336 IonicContact NH1-OE2 3.58Å; H183-E336 IonicContact CE1-OE2 2.72Å; H183-E336 PolarHBondContact CE1-OE2 2.76Å; H183-E336 IonicContact NE2-OE2 2.72Å; H183-E336 PolarHBondContact NE2-OE2 3.08Å; H183-E336 VanDerWaalsContact NE2-OE2 3.08Å; R294-E336 IonicContact CZ-OE1 3.95Å; R294-E336 IonicContact NE-OE1 2.66Å; R294-E336 PolarHBondContact NE-OE1 3.06Å; R294-E336 VanDerWaalsContact NH2-CD 3.32Å; R294-E336 IonicContact NH2-OE1 2.82Å; R294-E336 PolarHBondContact NH2-OE1 3.45Å; R294-E336 IonicContact NH2-OE2 3.53Å; R294-E336 PolarHBondContact NH2-OE2 3.19Å; P319-E336 HydrophobicContact CG-CG 3.72Å; C332-E336 WeakPolarHBondContact O-CB 3.42Å; C332-E336 VanDerWaalsContact O-CG 3.32Å; C332-E336 WeakPolarHBondContact O-CG 3.42Å; C332-E336 PolarHBondContact O-N 3.22Å; R333-E336 PolarHBondContact O-N 2.8Å; E336-R338 PolarHBondContact O-N 2.98Å; E336-Q339 PolarHBondContact O-N 3.39Å; E336-S340 WeakPolarHBondContact O-CB 3.44Å; E336-S340 PolarHBondContact O-N 2.92Å; E336-S340 PolarHBondContact O-OG 3.19Å; E336-S340 VanDerWaalsContact O-OG 3.12Å
337	M	96.9	Very high	96.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.1	-41.3	173.7	-69.1	-172.6	-70.5	0	0	112.2	L180 H183 I184 L255 L258 R333 V334 E335 S340 L341	L180-M337 HydrophobicContact CD2-CB 3.73Å; L180-M337 HydrophobicContact CD2-CG 3.93Å; L180-M337 WeakPolarHBondContact CD2-O 3.17Å; H183-M337 HydrophobicContact CB-CG 3.55Å; H183-M337 HydrophobicContact CB-SD 3.81Å; I184-M337 HydrophobicContact CG1-SD 3.95Å; L255-M337 HydrophobicContact CD1-CB 3.93Å; L255-M337 HydrophobicContact CD2-CB 4.17Å; L255-M337 HydrophobicContact CD2-CE 3.6Å; L255-M337 HydrophobicContact CD2-SD 3.77Å; L258-M337 HydrophobicContact CD2-CE 4.18Å; R333-M337 WeakPolarHBondContact O-CG 3.33Å; R333-M337 PolarHBondContact O-N 3.12Å; V334-M337 HydrophobicContact CB-CE 4.21Å; V334-M337 HydrophobicContact CG1-CE 4.23Å; V334-M337 HydrophobicContact CG2-CE 4.02Å; V334-M337 WeakPolarHBondContact O-CB 3.44Å; V334-M337 PolarHBondContact O-N 3.31Å; E335-M337 VanDerWaalsContact C-N 3.28Å; E335-M337 PolarHBondContact O-N 3.37Å; M337-S340 PolarHBondContact O-N 3.13Å; M337-L341 PolarHBondContact O-N 3.12Å; M337-L341 VanDerWaalsContact O-N 3.09Å
338	R	96.9	Very high	96.7	Very high	86 Å²	86	24.3 Å²	24.3	33%	0.325	11%	0.111	S	C	.	.	H	α-helix	trans	-63.9	-40.3	174.8	-71.4	-175	167.9	143	-0.6	112	L255 D256 E259 V334 E335 E336 L341 R342	L255-R338 HydrophobicContact CD1-CG 4.15Å; D256-R338 IonicContact OD1-CZ 3.31Å; D256-R338 IonicContact OD1-NE 3.37Å; D256-R338 IonicContact OD1-NH2 2.9Å; D256-R338 PolarHBondContact OD1-NH2 3.37Å; E259-R338 IonicContact OE1-CZ 3.21Å; E259-R338 IonicContact OE1-NE 3.85Å; E259-R338 IonicContact OE1-NH1 3.84Å; E259-R338 PolarHBondContact OE1-NH1 3.28Å; E259-R338 IonicContact OE1-NH2 2.79Å; E259-R338 PolarHBondContact OE1-NH2 2.9Å; E259-R338 IonicContact OE2-CZ 2.64Å; E259-R338 IonicContact OE2-NH1 3.19Å; E259-R338 PolarHBondContact OE2-NH1 3.48Å; E259-R338 IonicContact OE2-NH2 3.42Å; E259-R338 PolarHBondContact OE2-NH2 2.89Å; V334-R338 PolarHBondContact O-N 3.04Å; E335-R338 WeakPolarHBondContact O-CB 3.46Å; E335-R338 PolarHBondContact O-N 3.24Å; E335-R338 VanDerWaalsContact O-N 3.11Å; E336-R338 PolarHBondContact O-N 2.98Å; R338-L341 WeakPolarHBondContact O-CB 3.47Å; R338-L341 PolarHBondContact O-N 3.49Å; R338-R342 PolarHBondContact O-N 3.02Å; R338-R342 VanDerWaalsContact O-N 3.1Å
339	Q	96.8	Very high	96.7	Very high	38 Å²	38	29.9 Å²	29.9	18%	0.178	14%	0.141	C	C	.	.	H	α-helix	trans	-70.4	-36.1	178	-62.4	-66.4	-19.1	0	0	111.7	D317 E335 E336 L341 R342 I343	D317-Q339 VanDerWaalsContact N-OE1 3.11Å; D317-Q339 VanDerWaalsContact O-CG 3.27Å; D317-Q339 WeakPolarHBondContact O-CG 3.39Å; E335-Q339 WeakPolarHBondContact O-CG 3.12Å; E335-Q339 PolarHBondContact O-N 3.36Å; E336-Q339 PolarHBondContact O-N 3.39Å; Q339-L341 VanDerWaalsContact C-N 3.35Å; Q339-L341 PolarHBondContact O-N 2.84Å; Q339-R342 WeakPolarHBondContact O-CB 3.48Å; Q339-R342 PolarHBondContact O-N 3.33Å; Q339-R342 VanDerWaalsContact O-N 3.15Å; Q339-I343 WeakPolarHBondContact O-CG1 2.88Å; Q339-I343 PolarHBondContact O-N 2.72Å
340	S	97.4	Very high	96.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	16%	0.162	C	C	.	.	H	α-helix	trans	-59.9	-42.8	171.3	-68.9	0	0	0	0	112	E176 R179 E336 M337 R342 I343 I344	E176-S340 WeakPolarHBondContact OE2-CA 3.35Å; E176-S340 VanDerWaalsContact OE2-CB 3.27Å; E176-S340 WeakPolarHBondContact OE2-CB 3.24Å; E176-S340 PolarHBondContact OE2-OG 3.46Å; R179-S340 WeakPolarHBondContact CD-OG 3.42Å; E336-S340 WeakPolarHBondContact O-CB 3.44Å; E336-S340 PolarHBondContact O-N 2.92Å; E336-S340 PolarHBondContact O-OG 3.19Å; E336-S340 VanDerWaalsContact O-OG 3.12Å; M337-S340 PolarHBondContact O-N 3.13Å; S340-R342 VanDerWaalsContact C-N 3.32Å; S340-R342 PolarHBondContact O-N 3.31Å; S340-I343 PolarHBondContact O-N 2.91Å; S340-I344 VanDerWaalsContact O-CG1 3.27Å; S340-I344 WeakPolarHBondContact O-CG1 3.46Å; S340-I344 PolarHBondContact O-N 3.2Å
341	L	96.4	Very high	96.5	Very high	14 Å²	14	35.7 Å²	35.7	7%	0.073	17%	0.167	C	C	.	.	H	α-helix	trans	-59.9	-42.6	172.9	-71.4	172.7	0	0	0	112.1	L180 F251 L255 M337 R338 Q339 I343 I344 T345	L180-L341 HydrophobicContact CD1-CD2 3.94Å; L180-L341 HydrophobicContact CD1-CG 4.44Å; F251-L341 HydrophobicContact CB-CD2 4.33Å; F251-L341 HydrophobicContact CD1-CD1 3.82Å; F251-L341 HydrophobicContact CD1-CD2 3.74Å; F251-L341 HydrophobicContact CD1-CG 4.04Å; F251-L341 HydrophobicContact CG-CD2 4.46Å; L255-L341 HydrophobicContact CD1-CD1 3.81Å; M337-L341 PolarHBondContact O-N 3.12Å; M337-L341 VanDerWaalsContact O-N 3.09Å; R338-L341 WeakPolarHBondContact O-CB 3.47Å; R338-L341 PolarHBondContact O-N 3.49Å; Q339-L341 VanDerWaalsContact C-N 3.35Å; Q339-L341 PolarHBondContact O-N 2.84Å; L341-I343 VanDerWaalsContact C-N 3.32Å; L341-I343 PolarHBondContact O-N 2.73Å; L341-I344 PolarHBondContact O-N 3.34Å; L341-T345 WeakPolarHBondContact O-CG2 3.36Å; L341-T345 PolarHBondContact O-N 2.63Å; L341-T345 PolarHBondContact O-OG1 3.44Å
342	R	97.3	Very high	96.4	Very high	102 Å²	102	35 Å²	35	39%	0.385	17%	0.166	S	C	.	.	H	α-helix	trans	-60.3	-42.2	175.9	-173.2	178.3	179.2	-174.5	-2.3	111.5	D315 D317 R338 Q339 S340 T345 Q346	D315-R342 PolarHBondContact O-NE 3.14Å; D317-R342 IonicContact OD2-NH1 2.87Å; D317-R342 PolarHBondContact OD2-NH1 2.72Å; R338-R342 PolarHBondContact O-N 3.02Å; R338-R342 VanDerWaalsContact O-N 3.1Å; Q339-R342 WeakPolarHBondContact O-CB 3.48Å; Q339-R342 PolarHBondContact O-N 3.33Å; Q339-R342 VanDerWaalsContact O-N 3.15Å; S340-R342 VanDerWaalsContact C-N 3.32Å; S340-R342 PolarHBondContact O-N 3.31Å; R342-T345 PolarHBondContact O-OG1 3.48Å; R342-Q346 WeakPolarHBondContact O-CG 3.22Å; R342-Q346 PolarHBondContact O-N 3.07Å
343	I	97.4	Very high	96.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.8	-45.7	175.8	-61.9	162.8	0	0	0	110.6	V172 E176 V314 F316 Q339 S340 L341 T345 Q346 C347	V172-I343 HydrophobicContact CG1-CG2 4.08Å; E176-I343 HydrophobicContact CG-CB 4.02Å; E176-I343 HydrophobicContact CG-CD1 4.03Å; E176-I343 HydrophobicContact CG-CG2 3.74Å; V314-I343 HydrophobicContact CB-CG2 4.35Å; V314-I343 HydrophobicContact CG1-CG2 4.31Å; V314-I343 HydrophobicContact CG2-CG2 4.24Å; F316-I343 HydrophobicContact CB-CD1 3.96Å; F316-I343 HydrophobicContact CB-CG1 3.81Å; F316-I343 HydrophobicContact CD1-CD1 3.88Å; F316-I343 HydrophobicContact CD1-CG1 4.1Å; F316-I343 HydrophobicContact CD2-CD1 4.22Å; F316-I343 HydrophobicContact CE1-CD1 4.42Å; F316-I343 HydrophobicContact CG-CD1 3.77Å; F316-I343 HydrophobicContact CG-CG1 4.07Å; Q339-I343 WeakPolarHBondContact O-CG1 2.88Å; Q339-I343 PolarHBondContact O-N 2.72Å; S340-I343 PolarHBondContact O-N 2.91Å; L341-I343 VanDerWaalsContact C-N 3.32Å; L341-I343 PolarHBondContact O-N 2.73Å; I343-T345 PolarHBondContact O-N 3.38Å; I343-Q346 PolarHBondContact O-N 3.03Å; I343-Q346 VanDerWaalsContact O-N 3.13Å; I343-C347 WeakPolarHBondContact O-CB 3.45Å; I343-C347 PolarHBondContact O-N 2.9Å; I343-C347 PolarHBondContact O-SG 2.74Å
344	I	97	Very high	96	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.015	23%	0.225	C	C	.	.	H	α-helix	trans	-55.8	-48.9	178.5	-71.6	164.8	0	0	0	110.9	L173 E176 I177 L180 I244 S340 L341 Q346 C347 L348	L173-I344 HydrophobicContact CD1-CB 4.3Å; L173-I344 HydrophobicContact CD1-CG1 4.21Å; L173-I344 HydrophobicContact CD1-CG2 3.89Å; E176-I344 HydrophobicContact CB-CD1 4.35Å; E176-I344 HydrophobicContact CB-CG1 3.98Å; I177-I344 HydrophobicContact CG1-CD1 3.86Å; I177-I344 HydrophobicContact CG1-CG1 4.37Å; L180-I344 HydrophobicContact CD1-CD1 3.6Å; L180-I344 HydrophobicContact CG-CD1 4.44Å; I244-I344 HydrophobicContact CG2-CG2 3.84Å; S340-I344 VanDerWaalsContact O-CG1 3.27Å; S340-I344 WeakPolarHBondContact O-CG1 3.46Å; S340-I344 PolarHBondContact O-N 3.2Å; L341-I344 PolarHBondContact O-N 3.34Å; I344-Q346 VanDerWaalsContact C-N 3.31Å; I344-Q346 PolarHBondContact O-N 3.19Å; I344-C347 PolarHBondContact O-N 3.31Å; I344-L348 HydrophobicContact CG2-CD1 4.19Å; I344-L348 WeakPolarHBondContact O-CG 3.11Å; I344-L348 PolarHBondContact O-N 3.43Å
345	T	96.5	Very high	95.9	Very high	44 Å²	44	46.6 Å²	46.6	27%	0.27	24%	0.244	S	C	.	.	H	α-helix	trans	-61.3	-38.4	178.5	58.9	0	0	0	0	112.7	L341 R342 I343 N349	L341-T345 WeakPolarHBondContact O-CG2 3.36Å; L341-T345 PolarHBondContact O-N 2.63Å; L341-T345 PolarHBondContact O-OG1 3.44Å; R342-T345 PolarHBondContact O-OG1 3.48Å; I343-T345 PolarHBondContact O-N 3.38Å; T345-N349 PolarHBondContact O-N 3.07Å; T345-N349 PolarHBondContact O-ND2 3.42Å; T345-N349 VanDerWaalsContact O-ND2 3.1Å
346	Q	96.3	Very high	95.8	Very high	29 Å²	29	43.6 Å²	43.6	14%	0.136	23%	0.23	C	C	.	.	H	α-helix	trans	-69	-41	175.5	-69.5	175.1	24.5	0	0	112.3	D315 R342 I343 I344 L348 N349 K350	D315-Q346 PolarHBondContact O-NE2 3.43Å; R342-Q346 WeakPolarHBondContact O-CG 3.22Å; R342-Q346 PolarHBondContact O-N 3.07Å; I343-Q346 PolarHBondContact O-N 3.03Å; I343-Q346 VanDerWaalsContact O-N 3.13Å; I344-Q346 VanDerWaalsContact C-N 3.31Å; I344-Q346 PolarHBondContact O-N 3.19Å; Q346-L348 VanDerWaalsContact C-N 3.33Å; Q346-L348 PolarHBondContact O-N 3.22Å; Q346-N349 PolarHBondContact O-N 2.95Å; Q346-K350 WeakPolarHBondContact O-CB 3.21Å; Q346-K350 WeakPolarHBondContact O-CG 3.4Å; Q346-K350 PolarHBondContact O-N 2.62Å
347	C	95.9	Very high	95.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.3	-40.2	176.6	-70.2	0	0	0	0	111.7	W169 L173 I343 I344 K350 M351	W169-C347 HydrophobicContact CE3-CB 4.15Å; W169-C347 HydrophobicContact CZ3-CB 4.39Å; L173-C347 HydrophobicContact CB-CB 4.38Å; L173-C347 HydrophobicContact CD1-CB 4.09Å; I343-C347 WeakPolarHBondContact O-CB 3.45Å; I343-C347 PolarHBondContact O-N 2.9Å; I343-C347 PolarHBondContact O-SG 2.74Å; I344-C347 PolarHBondContact O-N 3.31Å; C347-K350 PolarHBondContact O-N 3.04Å; C347-M351 WeakPolarHBondContact O-CB 3.49Å; C347-M351 PolarHBondContact O-N 3.46Å; C347-M351 VanDerWaalsContact O-N 3.09Å
348	L	95.2	Very high	95.6	Very high	20 Å²	20	46.5 Å²	46.5	11%	0.105	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-42.6	175.6	-68.3	174	0	0	0	111.7	L173 M241 I244 Y245 I344 Q346	L173-L348 HydrophobicContact CD1-CD2 4.37Å; L173-L348 HydrophobicContact CD1-CG 4.46Å; L173-L348 HydrophobicContact CD2-CD2 4.35Å; M241-L348 HydrophobicContact CB-CD2 4.05Å; M241-L348 HydrophobicContact CE-CD2 4.04Å; M241-L348 HydrophobicContact CG-CD2 4.18Å; I244-L348 HydrophobicContact CG2-CD1 4.08Å; I244-L348 HydrophobicContact CG2-CD2 4.43Å; Y245-L348 HydrophobicContact CD2-CD1 4.45Å; I344-L348 HydrophobicContact CG2-CD1 4.19Å; I344-L348 WeakPolarHBondContact O-CG 3.11Å; I344-L348 PolarHBondContact O-N 3.43Å; Q346-L348 VanDerWaalsContact C-N 3.33Å; Q346-L348 PolarHBondContact O-N 3.22Å
349	N	96.1	Very high	95.3	Very high	137 Å²	137	49.5 Å²	49.5	73%	0.733	27%	0.267	S	S	*	.	H	α-helix	trans	-72.3	-32.6	180	-71.3	-33.1	0	0	0	113.7	T345 Q346	T345-N349 PolarHBondContact O-N 3.07Å; T345-N349 PolarHBondContact O-ND2 3.42Å; T345-N349 VanDerWaalsContact O-ND2 3.1Å; Q346-N349 PolarHBondContact O-N 2.95Å
350	K	95	Very high	95.1	Very high	101 Å²	101	50.6 Å²	50.6	44%	0.439	27%	0.274	S	S	.	.	H	α-helix	trans	-99.2	7	-176.1	-66.2	-178.7	179.8	177.3	0	113.7	W169 Q313 Q346 C347 P352	W169-K350 HydrophobicContact CH2-CB 3.72Å; W169-K350 HydrophobicContact CH2-CD 3.82Å; W169-K350 HydrophobicContact CH2-CG 4.44Å; W169-K350 HydrophobicContact CZ2-CB 4.15Å; W169-K350 HydrophobicContact CZ3-CB 3.96Å; W169-K350 HydrophobicContact CZ3-CD 4.47Å; Q313-K350 PolarHBondContact O-NZ 3.12Å; Q346-K350 WeakPolarHBondContact O-CB 3.21Å; Q346-K350 WeakPolarHBondContact O-CG 3.4Å; Q346-K350 PolarHBondContact O-N 2.62Å; C347-K350 PolarHBondContact O-N 3.04Å; K350-P352 VanDerWaalsContact O-CD 3.22Å; K350-P352 WeakPolarHBondContact O-CD 3.42Å
351	M	92.9	Very high	94.9	Very high	26 Å²	26	52 Å²	52	13%	0.128	29%	0.286	C	S	.	.			trans	-62.9	115.6	-174.2	-173.7	64.2	71.9	0	0	111.8	W169 I170 L173 M241 C347	W169-M351 HydrophobicContact CB-CE 4.13Å; W169-M351 HydrophobicContact CB-SD 3.62Å; I170-M351 HydrophobicContact CG1-CE 4.2Å; I170-M351 HydrophobicContact CG1-SD 4.2Å; L173-M351 HydrophobicContact CD2-CE 4.07Å; M241-M351 HydrophobicContact CE-CB 3.7Å; M241-M351 HydrophobicContact CE-CG 3.93Å; M241-M351 HydrophobicContact SD-CG 4.37Å; C347-M351 WeakPolarHBondContact O-CB 3.49Å; C347-M351 PolarHBondContact O-N 3.46Å; C347-M351 VanDerWaalsContact O-N 3.09Å
352	P	94.6	Very high	94.7	Very high	31 Å²	31	57.9 Å²	57.9	20%	0.201	31%	0.311	C	S	.	.			trans	-79.6	147.7	178.8	31.6	-33.4	0	0	0	111.7	P165 R166 W169 K350	P165-P352 HydrophobicContact CB-CG 4.45Å; R166-P352 HydrophobicContact CB-CG 4.43Å; R166-P352 WeakPolarHBondContact CG-O 3.28Å; R166-P352 PolarHBondContact NH1-O 2.81Å; W169-P352 VanDerWaalsContact CD1-CG 3.45Å; W169-P352 HydrophobicContact CG-CG 4.24Å; K350-P352 VanDerWaalsContact O-CD 3.22Å; K350-P352 WeakPolarHBondContact O-CD 3.42Å
353	P	94.3	Very high	94.5	Very high	122 Å²	122	53.6 Å²	53.6	79%	0.792	30%	0.296	S	S	*	.			trans	-68.8	153.9	161	32.1	-33.9	0	0	0	109.7
354	G	92.8	Very high	94.3	Very high	50 Å²	50	54.1 Å²	54.1	52%	0.515	30%	0.3	S	S	.	.	S	Bend	trans	154.1	-170.9	177.2	0	0	0	0	0	113.7	R166	R166-G354 WeakPolarHBondContact CD-O 3.4Å
355	E	93.9	Very high	94.2	Very high	86 Å²	86	55.1 Å²	55.1	40%	0.402	31%	0.307	S	S	.	.			trans	-82.4	153.8	176.6	-57.7	-148.1	124.6	0	0	112.4	P164 K367	P164-E355 WeakPolarHBondContact CB-O 3.5Å; P164-E355 WeakPolarHBondContact CG-O 3.4Å; E355-K367 IonicContact OE1-NZ 2.83Å; E355-K367 PolarHBondContact OE1-NZ 3.42Å
356	I	94.7	Very high	94	Very high	23 Å²	23	53.8 Å²	53.8	12%	0.118	30%	0.299	C	S	.	.	S	Bend	trans	-104.6	-9.6	-175.3	49.5	66.8	0	0	0	114.3	R166 A167 I170 V232 D235	R166-I356 HydrophobicContact CG-CG2 4.2Å; A167-I356 VanDerWaalsContact CB-O 3.31Å; A167-I356 WeakPolarHBondContact CB-O 3.12Å; I170-I356 HydrophobicContact CD1-CG2 3.87Å; V232-I356 HydrophobicContact CG2-CB 3.62Å; V232-I356 HydrophobicContact CG2-CG2 4.03Å; V232-I356 PolarHBondContact N-O 3.37Å; D235-I356 HydrophobicContact CB-CG1 4.15Å; D235-I356 HydrophobicContact CB-CG2 3.97Å
357	K	94.3	Very high	93.9	Very high	41 Å²	41	58.3 Å²	58.3	18%	0.178	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-125.7	153.9	177.3	-77.9	164.9	-170.4	170.9	0	108.9	P164 V232 H233	P164-K357 WeakPolarHBondContact CG-O 3.36Å; V232-K357 WeakPolarHBondContact O-CE 3.5Å; V232-K357 WeakPolarHBondContact O-CG 3.5Å; H233-K357 WeakPolarHBondContact O-CE 3.39Å; H233-K357 PolarHBondContact O-NZ 3.47Å
358	V	95	Very high	93.8	Very high	23 Å²	23	67.2 Å²	67.2	14%	0.139	35%	0.351	C	S	.	.			trans	-60	138.8	168.4	69.5	0	0	0	0	110	G230 D360 V363 S364	G230-V358 PolarHBondContact O-N 3.35Å; V358-D360 HydrophobicContact CG1-CB 4.41Å; V358-D360 HydrophobicContact CG2-CB 4.42Å; V358-D360 PolarHBondContact O-N 3.05Å; V358-V363 HydrophobicContact CG1-CB 4.43Å; V358-S364 PolarHBondContact O-OG 3.45Å
359	D	92.3	Very high	93.8	Very high	148 Å²	148	69.9 Å²	69.9	79%	0.791	38%	0.376	S	S	*	.	S	Bend	trans	-72.6	20.8	-179.9	-163	20.2	0	0	0	113.2
360	D	92.3	Very high	93.6	Very high	62 Å²	62	68 Å²	68	33%	0.332	36%	0.363	S	S	.	.			trans	-107.7	102.2	173.4	-172.8	-1.4	0	0	0	109.9	V358 K362 V363 S364	V358-D360 HydrophobicContact CG1-CB 4.41Å; V358-D360 HydrophobicContact CG2-CB 4.42Å; V358-D360 PolarHBondContact O-N 3.05Å; D360-K362 PolarHBondContact O-N 3.19Å; D360-K362 VanDerWaalsContact O-N 3.11Å; D360-K362 VanDerWaalsContact OD1-CB 3.24Å; D360-K362 WeakPolarHBondContact OD1-CB 3.29Å; D360-K362 WeakPolarHBondContact OD1-CG 3.42Å; D360-K362 PolarHBondContact OD1-N 3.21Å; D360-V363 PolarHBondContact O-N 3.2Å; D360-S364 PolarHBondContact O-N 2.9Å
361	A	92.7	Very high	93.5	Very high	31 Å²	31	64.3 Å²	64.3	26%	0.256	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-7.6	178.2	0	0	0	0	0	113.7	S364 H380 L384	A361-S364 CarbonylContact C-O 3.19Å; A361-S364 WeakPolarHBondContact CA-O 3.31Å; A361-H380 HydrophobicContact CB-CB 4.47Å; A361-L384 WeakPolarHBondContact O-CD1 3.42Å
362	K	93.1	Very high	93.6	Very high	137 Å²	137	70.9 Å²	70.9	60%	0.596	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-17.6	172.6	-60.5	179	-177.6	179	0	113.1	D360 L384	D360-K362 PolarHBondContact O-N 3.19Å; D360-K362 VanDerWaalsContact O-N 3.11Å; D360-K362 VanDerWaalsContact OD1-CB 3.24Å; D360-K362 WeakPolarHBondContact OD1-CB 3.29Å; D360-K362 WeakPolarHBondContact OD1-CG 3.42Å; D360-K362 PolarHBondContact OD1-N 3.21Å; K362-L384 VanDerWaalsContact O-CD2 3.31Å; K362-L384 WeakPolarHBondContact O-CD2 3.48Å
363	V	92.4	Very high	93.6	Very high	12 Å²	12	75.2 Å²	75.2	7%	0.073	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-53.1	176.6	-178.3	0	0	0	0	110	L159 I161 V358 D360 Y389	L159-V363 HydrophobicContact CD1-CG1 3.88Å; L159-V363 HydrophobicContact CD1-CG2 4.34Å; I161-V363 HydrophobicContact CD1-CB 4.44Å; I161-V363 HydrophobicContact CD1-CG1 3.78Å; I161-V363 HydrophobicContact CD1-CG2 4.38Å; V358-V363 HydrophobicContact CG1-CB 4.43Å; D360-V363 PolarHBondContact O-N 3.2Å; V363-Y389 HydrophobicContact CG1-CD1 4.49Å
364	S	93.6	Very high	93.7	Very high	11 Å²	11	70.8 Å²	70.8	8%	0.077	37%	0.374	C	S	.	.	S	Bend	trans	-93.5	140	-178.5	87.6	0	0	0	0	110.6	V358 D360 A361	V358-S364 PolarHBondContact O-OG 3.45Å; D360-S364 PolarHBondContact O-N 2.9Å; A361-S364 CarbonylContact C-O 3.19Å; A361-S364 WeakPolarHBondContact CA-O 3.31Å
365	P	93.8	Very high	93.8	Very high	24 Å²	24	74.3 Å²	74.3	16%	0.156	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-71.7	137.7	178.3	28	-33.2	0	0	0	110.5	L384 Y385	P365-L384 HydrophobicContact CB-CD1 4.29Å; P365-Y385 HydrophobicContact CB-CE2 4Å
366	P	93.8	Very high	93.8	Very high	16 Å²	16	76.2 Å²	76.2	10%	0.104	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-65.5	163.6	-179	26	-33.6	0	0	0	112.3	M371 S377 H381	P366-M371 HydrophobicContact CG-CB 4.49Å; P366-S377 WeakPolarHBondContact CG-O 3.41Å; P366-H381 HydrophobicContact CG-CB 4.26Å
367	K	93.9	Very high	93.8	Very high	124 Å²	124	75.4 Å²	75.4	54%	0.539	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-64.6	145.1	178	-66.8	171.7	-171.6	159.1	0	109.6	E355 A369 E370 M371	E355-K367 IonicContact OE1-NZ 2.83Å; E355-K367 PolarHBondContact OE1-NZ 3.42Å; K367-A369 VanDerWaalsContact C-N 3.25Å; K367-A369 PolarHBondContact O-N 3.23Å; K367-E370 PolarHBondContact O-N 3.45Å; K367-E370 VanDerWaalsContact O-N 3.15Å; K367-M371 PolarHBondContact O-N 3.3Å
368	R	92.7	Very high	93.9	Very high	186 Å²	186	77.2 Å²	77.2	70%	0.702	40%	0.395	S	S	*	.	H	α-helix	trans	-62.8	-29.9	-175.7	-63.6	-167.5	85.6	132	3.6	113.7	M371 K372	R368-M371 HydrophobicContact CB-CE 4.47Å; R368-K372 WeakPolarHBondContact O-CG 3.42Å; R368-K372 PolarHBondContact O-N 2.92Å
369	A	94.7	Very high	93.9	Very high	76 Å²	76	80.2 Å²	80.2	63%	0.628	41%	0.409	S	S	*	.	H	α-helix	trans	-66.9	-44	176.5	0	0	0	0	0	111.4	K367 K372 T373	K367-A369 VanDerWaalsContact C-N 3.25Å; K367-A369 PolarHBondContact O-N 3.23Å; A369-K372 PolarHBondContact O-N 3.36Å; A369-T373 PolarHBondContact O-OG1 3.29Å
370	E	93.1	Very high	94.1	Very high	99 Å²	99	75.9 Å²	75.9	46%	0.463	38%	0.384	S	S	.	.	H	α-helix	trans	-71.8	-38.4	180	-167.4	-175.9	179.4	0	0	112.3	K367 K372 T373 S374 S377	K367-E370 PolarHBondContact O-N 3.45Å; K367-E370 VanDerWaalsContact O-N 3.15Å; E370-K372 PolarHBondContact O-N 3.46Å; E370-T373 WeakPolarHBondContact CA-OG1 3.21Å; E370-T373 PolarHBondContact O-N 3.15Å; E370-T373 VanDerWaalsContact O-N 3.1Å; E370-T373 PolarHBondContact O-OG1 3.4Å; E370-T373 VanDerWaalsContact O-OG1 3.1Å; E370-S374 PolarHBondContact O-N 3.49Å; E370-S374 PolarHBondContact O-OG 3.09Å; E370-S377 WeakPolarHBondContact CG-OG 3.31Å; E370-S377 PolarHBondContact OE1-OG 3.12Å
371	M	93.4	Very high	94.3	Very high	22 Å²	22	75.5 Å²	75.5	11%	0.108	38%	0.38	C	S	.	.	H	α-helix	trans	-59.9	-29.9	174.6	173.2	-92	-71.9	0	0	113.3	P366 K367 R368 L378 H381	P366-M371 HydrophobicContact CG-CB 4.49Å; K367-M371 PolarHBondContact O-N 3.3Å; R368-M371 HydrophobicContact CB-CE 4.47Å; M371-L378 HydrophobicContact CG-CD1 4.01Å; M371-L378 HydrophobicContact SD-CD1 3.93Å; M371-H381 HydrophobicContact CG-CB 4Å
372	K	94.4	Very high	94.5	Very high	165 Å²	165	80.5 Å²	80.5	72%	0.717	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-13.5	178.2	-71.5	177.9	179.3	-174.1	0	113.7	R368 A369 E370	R368-K372 WeakPolarHBondContact O-CG 3.42Å; R368-K372 PolarHBondContact O-N 2.92Å; A369-K372 PolarHBondContact O-N 3.36Å; E370-K372 PolarHBondContact O-N 3.46Å
373	T	94.5	Very high	94.6	Very high	122 Å²	122	79 Å²	79	75%	0.748	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-42.7	-172.3	41.3	0	0	0	0	112.4	A369 E370	A369-T373 PolarHBondContact O-OG1 3.29Å; E370-T373 WeakPolarHBondContact CA-OG1 3.21Å; E370-T373 PolarHBondContact O-N 3.15Å; E370-T373 VanDerWaalsContact O-N 3.1Å; E370-T373 PolarHBondContact O-OG1 3.4Å; E370-T373 VanDerWaalsContact O-OG1 3.1Å
374	S	96	Very high	94.8	Very high	29 Å²	29	79.2 Å²	79.2	20%	0.203	39%	0.39	C	S	.	.			trans	-95.6	141.3	179.8	64.2	0	0	0	0	112.1	E370 S377 L378	E370-S374 PolarHBondContact O-N 3.49Å; E370-S374 PolarHBondContact O-OG 3.09Å; S374-S377 WeakPolarHBondContact OG-CB 3.46Å; S374-S377 PolarHBondContact OG-OG 3.25Å; S374-L378 PolarHBondContact O-N 3.35Å
375	M	94.9	Very high	94.9	Very high	123 Å²	123	83.7 Å²	83.7	61%	0.606	41%	0.406	S	S	*	.	H	α-helix	trans	-73.1	-40.3	179.7	-175.3	61.9	-175.4	0	0	111.2	S377 L378 I379	M375-S377 PolarHBondContact O-N 3.05Å; M375-L378 PolarHBondContact O-N 3.28Å; M375-I379 HydrophobicContact CE-CD1 4.15Å; M375-I379 HydrophobicContact CE-CG1 4.19Å; M375-I379 HydrophobicContact CG-CD1 4.16Å; M375-I379 WeakPolarHBondContact O-CG1 3.5Å; M375-I379 PolarHBondContact O-N 3.16Å
376	E	94.7	Very high	94.9	Very high	127 Å²	127	86.6 Å²	86.6	59%	0.593	42%	0.423	S	S	*	.	H	α-helix	trans	-60.5	-46.1	179.5	-64	84.3	175.5	0	0	111.3	L378 I379 H380	E376-L378 VanDerWaalsContact C-N 3.27Å; E376-L378 PolarHBondContact O-N 2.62Å; E376-I379 PolarHBondContact O-N 2.95Å; E376-H380 PolarHBondContact O-CD2 2.91Å; E376-H380 PolarHBondContact O-N 3.39Å
377	S	94.1	Very high	95	Very high	6 Å²	6	89.3 Å²	89.3	4%	0.042	44%	0.435	C	S	.	.	H	α-helix	trans	-62.7	-35.4	178	-67.7	0	0	0	0	112.5	P366 E370 S374 M375 H381	P366-S377 WeakPolarHBondContact CG-O 3.41Å; E370-S377 WeakPolarHBondContact CG-OG 3.31Å; E370-S377 PolarHBondContact OE1-OG 3.12Å; S374-S377 WeakPolarHBondContact OG-CB 3.46Å; S374-S377 PolarHBondContact OG-OG 3.25Å; M375-S377 PolarHBondContact O-N 3.05Å; S377-H381 WeakPolarHBondContact O-CB 3.31Å; S377-H381 PolarHBondContact O-N 3.24Å
378	L	96.3	Very high	95	Very high	79 Å²	79	83.9 Å²	83.9	41%	0.414	41%	0.414	S	S	.	.	H	α-helix	trans	-67.2	-41.4	176.1	-174	62.2	0	0	0	111.5	M371 S374 M375 E376 H381 F382	M371-L378 HydrophobicContact CG-CD1 4.01Å; M371-L378 HydrophobicContact SD-CD1 3.93Å; S374-L378 PolarHBondContact O-N 3.35Å; M375-L378 PolarHBondContact O-N 3.28Å; E376-L378 VanDerWaalsContact C-N 3.27Å; E376-L378 PolarHBondContact O-N 2.62Å; L378-H381 PolarHBondContact O-N 3.17Å; L378-F382 WeakPolarHBondContact O-CB 3.17Å; L378-F382 PolarHBondContact O-N 3.26Å
379	I	96.2	Very high	95.2	Very high	86 Å²	86	75.8 Å²	75.8	44%	0.441	38%	0.383	S	S	.	.	H	α-helix	trans	-61.4	-49.7	175.1	-66.1	166.2	0	0	0	110.3	M375 E376 F382 K383	M375-I379 HydrophobicContact CE-CD1 4.15Å; M375-I379 HydrophobicContact CE-CG1 4.19Å; M375-I379 HydrophobicContact CG-CD1 4.16Å; M375-I379 WeakPolarHBondContact O-CG1 3.5Å; M375-I379 PolarHBondContact O-N 3.16Å; E376-I379 PolarHBondContact O-N 2.95Å; I379-F382 PolarHBondContact O-N 2.83Å; I379-K383 PolarHBondContact O-N 3.5Å
380	H	95.7	Very high	95.2	Very high	57 Å²	57	77 Å²	77	26%	0.264	38%	0.376	S	S	.	.	H	α-helix	trans	-60.7	-46.7	178.8	-74.1	-54.5	0	0	0	111.9	A361 E376 F382 K383 L384	A361-H380 HydrophobicContact CB-CB 4.47Å; E376-H380 PolarHBondContact O-CD2 2.91Å; E376-H380 PolarHBondContact O-N 3.39Å; H380-F382 PolarHBondContact O-N 3Å; H380-K383 PolarHBondContact O-N 3.45Å; H380-L384 VanDerWaalsContact O-CB 3.29Å; H380-L384 WeakPolarHBondContact O-CB 3.36Å; H380-L384 VanDerWaalsContact O-CG 3.3Å; H380-L384 WeakPolarHBondContact O-CG 3.39Å; H380-L384 PolarHBondContact O-N 3.29Å
381	H	96.4	Very high	95.4	Very high	53 Å²	53	72.3 Å²	72.3	25%	0.245	35%	0.354	C	S	.	.	H	α-helix	trans	-57.2	-47.7	175.1	178.5	-80.4	0	0	0	111.6	P366 M371 S377 L378 Y385	P366-H381 HydrophobicContact CG-CB 4.26Å; M371-H381 HydrophobicContact CG-CB 4Å; S377-H381 WeakPolarHBondContact O-CB 3.31Å; S377-H381 PolarHBondContact O-N 3.24Å; L378-H381 PolarHBondContact O-N 3.17Å; H381-Y385 AromaticContact CD2-CD2 3.88Å; H381-Y385 AromaticContact CD2-CE2 3.61Å; H381-Y385 AromaticContact CE1-CD2 3.74Å; H381-Y385 AromaticContact NE2-CD2 3.65Å; H381-Y385 AromaticContact NE2-CE2 3.45Å; H381-Y385 WeakPolarHBondContact NE2-CE2 2.91Å; H381-Y385 VanDerWaalsContact O-CD2 3.29Å; H381-Y385 WeakPolarHBondContact O-CD2 3.42Å; H381-Y385 PolarHBondContact O-N 3.45Å
382	F	96.9	Very high	95.5	Very high	136 Å²	136	74.1 Å²	74.1	60%	0.596	37%	0.367	S	S	*	.	H	α-helix	trans	-61.5	-47.1	179.9	-175.8	-94.7	0	0	0	112	L378 I379 H380 T386	L378-F382 WeakPolarHBondContact O-CB 3.17Å; L378-F382 PolarHBondContact O-N 3.26Å; I379-F382 PolarHBondContact O-N 2.83Å; H380-F382 PolarHBondContact O-N 3Å; F382-T386 HydrophobicContact CE1-CG2 4.27Å; F382-T386 HydrophobicContact CE2-CG2 4.28Å; F382-T386 HydrophobicContact CZ-CG2 4.12Å; F382-T386 WeakPolarHBondContact O-CB 3.3Å; F382-T386 WeakPolarHBondContact O-CG2 3.45Å; F382-T386 PolarHBondContact O-N 3.14Å; F382-T386 PolarHBondContact O-OG1 3.31Å
383	K	96.2	Very high	95.7	Very high	105 Å²	105	70.9 Å²	70.9	46%	0.457	36%	0.363	S	S	.	.	H	α-helix	trans	-66.6	-42.5	-179.8	-75	-66.8	-124.6	164.5	0	112.9	I379 H380 Y385 T386 E387 G388	I379-K383 PolarHBondContact O-N 3.5Å; H380-K383 PolarHBondContact O-N 3.45Å; K383-Y385 VanDerWaalsContact C-N 3.34Å; K383-Y385 PolarHBondContact O-N 2.96Å; K383-T386 PolarHBondContact O-N 3.3Å; K383-T386 PolarHBondContact O-OG1 3.04Å; K383-E387 IonicContact NZ-OE2 3.79Å; K383-E387 PolarHBondContact NZ-OE2 3.1Å; K383-E387 PolarHBondContact O-N 3.46Å; K383-G388 PolarHBondContact O-N 3.34Å; K383-G388 VanDerWaalsContact O-N 3.13Å
384	L	95.1	Very high	95.7	Very high	17 Å²	17	66.5 Å²	66.5	9%	0.089	34%	0.342	C	S	.	.	H	α-helix	trans	-61.1	-38.7	179.4	-81	176.4	0	0	0	113.3	A361 K362 P365 H380 G388 Y389	A361-L384 WeakPolarHBondContact O-CD1 3.42Å; K362-L384 VanDerWaalsContact O-CD2 3.31Å; K362-L384 WeakPolarHBondContact O-CD2 3.48Å; P365-L384 HydrophobicContact CB-CD1 4.29Å; H380-L384 VanDerWaalsContact O-CB 3.29Å; H380-L384 WeakPolarHBondContact O-CB 3.36Å; H380-L384 VanDerWaalsContact O-CG 3.3Å; H380-L384 WeakPolarHBondContact O-CG 3.39Å; H380-L384 PolarHBondContact O-N 3.29Å; L384-G388 VanDerWaalsContact O-CA 3.31Å; L384-G388 WeakPolarHBondContact O-CA 3.45Å; L384-G388 PolarHBondContact O-N 3.35Å; L384-Y389 HydrophobicContact CD2-CD1 3.92Å; L384-Y389 HydrophobicContact CD2-CG 4.48Å
385	Y	95.9	Very high	95.8	Very high	106 Å²	106	68 Å²	68	42%	0.416	36%	0.357	S	S	.	.	H	α-helix	trans	-88.6	-14.8	-178.2	-75.5	-70.8	0	0	0	114.3	L130 P365 H381 K383	L130-Y385 HydrophobicContact CD2-CD1 4.19Å; L130-Y385 HydrophobicContact CD2-CE1 3.89Å; P365-Y385 HydrophobicContact CB-CE2 4Å; H381-Y385 AromaticContact CD2-CD2 3.88Å; H381-Y385 AromaticContact CD2-CE2 3.61Å; H381-Y385 AromaticContact CE1-CD2 3.74Å; H381-Y385 AromaticContact NE2-CD2 3.65Å; H381-Y385 AromaticContact NE2-CE2 3.45Å; H381-Y385 WeakPolarHBondContact NE2-CE2 2.91Å; H381-Y385 VanDerWaalsContact O-CD2 3.29Å; H381-Y385 WeakPolarHBondContact O-CD2 3.42Å; H381-Y385 PolarHBondContact O-N 3.45Å; K383-Y385 VanDerWaalsContact C-N 3.34Å; K383-Y385 PolarHBondContact O-N 2.96Å
386	T	94.8	Very high	95.9	Very high	84 Å²	84	62.7 Å²	62.7	52%	0.515	33%	0.331	S	S	.	.	H	α-helix	trans	-98.4	-58.1	177.3	52.3	0	0	0	0	112	F382 K383	F382-T386 HydrophobicContact CE1-CG2 4.27Å; F382-T386 HydrophobicContact CE2-CG2 4.28Å; F382-T386 HydrophobicContact CZ-CG2 4.12Å; F382-T386 WeakPolarHBondContact O-CB 3.3Å; F382-T386 WeakPolarHBondContact O-CG2 3.45Å; F382-T386 PolarHBondContact O-N 3.14Å; F382-T386 PolarHBondContact O-OG1 3.31Å; K383-T386 PolarHBondContact O-N 3.3Å; K383-T386 PolarHBondContact O-OG1 3.04Å
387	E	95	Very high	96.1	Very high	74 Å²	74	61.4 Å²	61.4	35%	0.346	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-38.3	-177.7	-173.3	177.5	172	0	0	112.3	K383 Q390 S417	K383-E387 IonicContact NZ-OE2 3.79Å; K383-E387 PolarHBondContact NZ-OE2 3.1Å; K383-E387 PolarHBondContact O-N 3.46Å; E387-Q390 PolarHBondContact OE1-NE2 3.31Å; E387-S417 VanDerWaalsContact O-CB 3.23Å; E387-S417 WeakPolarHBondContact O-CB 3.45Å; E387-S417 PolarHBondContact O-OG 3.11Å
388	G	94.8	Very high	96.2	Very high	9 Å²	9	61.6 Å²	61.6	9%	0.093	32%	0.323	C	S	.	.			trans	86.2	163.9	-167.8	0	0	0	0	0	112.5	K383 L384	K383-G388 PolarHBondContact O-N 3.34Å; K383-G388 VanDerWaalsContact O-N 3.13Å; L384-G388 VanDerWaalsContact O-CA 3.31Å; L384-G388 WeakPolarHBondContact O-CA 3.45Å; L384-G388 PolarHBondContact O-N 3.35Å
389	Y	95.4	Very high	96.2	Very high	17 Å²	17	59 Å²	59	7%	0.067	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-74.4	139.1	172.2	50.8	-99	0	0	0	110.3	Y129 V155 L159 P229 V363 L384 V391 S417	Y129-Y389 VanDerWaalsContact CB-OH 3.31Å; Y129-Y389 WeakPolarHBondContact CB-OH 3.26Å; Y129-Y389 HydrophobicContact CD2-CD2 4.49Å; Y129-Y389 HydrophobicContact CD2-CE2 4.06Å; Y129-Y389 AromaticContact CG-CE2 3.98Å; Y129-Y389 HydrophobicContact CG-CE2 3.98Å; V155-Y389 HydrophobicContact CG1-CE2 3.94Å; L159-Y389 HydrophobicContact CD1-CD2 4.16Å; L159-Y389 HydrophobicContact CD1-CE2 4.06Å; P229-Y389 WeakPolarHBondContact CB-OH 3.13Å; P229-Y389 WeakPolarHBondContact CG-OH 3.38Å; V363-Y389 HydrophobicContact CG1-CD1 4.49Å; L384-Y389 HydrophobicContact CD2-CD1 3.92Å; L384-Y389 HydrophobicContact CD2-CG 4.48Å; Y389-V391 HydrophobicContact CD2-CG2 3.86Å; Y389-V391 HydrophobicContact CE2-CG2 3.86Å; Y389-S417 WeakPolarHBondContact O-CA 3.34Å; Y389-S417 WeakPolarHBondContact O-CB 3.26Å
390	Q	95.8	Very high	96.3	Very high	100 Å²	100	54.9 Å²	54.9	47%	0.467	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-78.1	135.8	172.4	-58.4	83.2	3	0	0	109.6	E387	E387-Q390 PolarHBondContact OE1-NE2 3.31Å
391	V	96.4	Very high	96.3	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-103.8	136.3	176.1	176.6	0	0	0	0	108.3	Y129 V155 L158 L159 Y389 S413 G415 S416	Y129-V391 HydrophobicContact CD1-CG2 4.32Å; Y129-V391 HydrophobicContact CD2-CB 4.46Å; Y129-V391 HydrophobicContact CD2-CG2 3.55Å; Y129-V391 HydrophobicContact CE1-CG2 4.03Å; Y129-V391 HydrophobicContact CE2-CB 3.66Å; Y129-V391 HydrophobicContact CE2-CG2 3.22Å; Y129-V391 HydrophobicContact CG-CG2 4.11Å; Y129-V391 VanDerWaalsContact CZ-CG2 3.48Å; V155-V391 HydrophobicContact CG1-CG2 4.4Å; L158-V391 HydrophobicContact CB-CG1 3.58Å; L158-V391 HydrophobicContact CD1-CG1 3.99Å; L158-V391 HydrophobicContact CG-CG1 4.42Å; L159-V391 HydrophobicContact CD2-CB 4.4Å; L159-V391 HydrophobicContact CD2-CG1 4.47Å; L159-V391 HydrophobicContact CD2-CG2 4Å; L159-V391 HydrophobicContact CG-CG2 4.22Å; Y389-V391 HydrophobicContact CD2-CG2 3.86Å; Y389-V391 HydrophobicContact CE2-CG2 3.86Å; V391-S413 PolarHBondContact O-OG 3.4Å; V391-G415 CarbonylContact O-C 3.47Å; V391-G415 WeakPolarHBondContact O-CA 3.39Å; V391-S416 PolarHBondContact N-O 2.99Å
392	P	96.8	Very high	96.3	Very high	60 Å²	60	49.8 Å²	49.8	39%	0.39	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-54.8	144.2	177	-27.2	34.6	0	0	0	112.6	G394 S413	P392-G394 PolarHBondContact O-N 3.08Å; P392-S413 WeakPolarHBondContact O-CB 3.48Å; P392-S413 PolarHBondContact O-OG 3.41Å
393	P	96.9	Very high	96.3	Very high	97 Å²	97	43.3 Å²	43.3	63%	0.63	24%	0.239	S	C	*	.	S	Bend	trans	-63.3	130.6	177.6	27.1	-33.3	0	0	0	110.2	S413	P393-S413 WeakPolarHBondContact CA-O 3.49Å
394	G	96.3	Very high	96.2	Very high	30 Å²	30	38.4 Å²	38.4	31%	0.309	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	169.7	166	-175.2	0	0	0	0	0	113	P392 V412 S413	P392-G394 PolarHBondContact O-N 3.08Å; G394-V412 WeakPolarHBondContact O-CA 3.2Å; G394-S413 PolarHBondContact N-O 3.45Å; G394-S413 PolarHBondContact O-N 3.03Å
395	A	97.1	Very high	96.2	Very high	61 Å²	61	37.6 Å²	37.6	50%	0.504	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.7	173.8	0	0	0	0	0	109.6	Y410 L411 V412	A395-Y410 HydrophobicContact CB-CE2 4.25Å; A395-L411 CarbonylContact C-O 3.06Å; A395-L411 VanDerWaalsContact CA-O 3.32Å; A395-L411 WeakPolarHBondContact CA-O 3.13Å; A395-V412 HydrophobicContact CB-CG2 4.21Å
396	T	97.5	Very high	96.2	Very high	12 Å²	12	34.7 Å²	34.7	7%	0.074	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.4	176.8	-172.5	0	0	0	0	110.5	A154 K157 L158 Y410 L411	A154-T396 HydrophobicContact CB-CG2 4.45Å; K157-T396 VanDerWaalsContact CD-OG1 3.29Å; K157-T396 WeakPolarHBondContact CD-OG1 3.49Å; L158-T396 HydrophobicContact CD1-CG2 3.82Å; L158-T396 HydrophobicContact CD2-CG2 3.84Å; L158-T396 HydrophobicContact CG-CG2 3.55Å; T396-Y410 CarbonylContact O-C 3Å; T396-Y410 VanDerWaalsContact O-CA 3.3Å; T396-Y410 WeakPolarHBondContact O-CA 3.45Å; T396-Y410 VanDerWaalsContact O-CD2 3.31Å; T396-Y410 WeakPolarHBondContact O-CD2 3.44Å; T396-L411 HydrophobicContact CG2-CB 3.96Å; T396-L411 PolarHBondContact N-O 2.84Å; T396-L411 PolarHBondContact O-N 2.93Å
397	Y	97.9	Very high	96.3	Very high	100 Å²	100	30.7 Å²	30.7	39%	0.392	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.7	162.4	-176.7	-109.6	0	0	0	107.8	A399 K425	Y397-A399 HydrophobicContact CE1-CB 4.1Å; Y397-K425 HydrophobicContact CE2-CB 4.34Å
398	T	97.3	Very high	96.4	Very high	10 Å²	10	27.1 Å²	27.1	6%	0.061	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.9	172.9	50.6	0	0	0	0	108.7	A154 K157 G408 V409	A154-T398 WeakPolarHBondContact CA-OG1 3.38Å; A154-T398 HydrophobicContact CB-CG2 4.44Å; A154-T398 WeakPolarHBondContact CB-OG1 3.31Å; A154-T398 PolarHBondContact N-OG1 3.07Å; K157-T398 HydrophobicContact CB-CG2 4.23Å; K157-T398 HydrophobicContact CD-CG2 3.66Å; T398-G408 CarbonylContact O-C 3.54Å; T398-G408 WeakPolarHBondContact O-CA 3.2Å; T398-V409 PolarHBondContact N-O 2.7Å; T398-V409 VanDerWaalsContact N-O 3.09Å; T398-V409 PolarHBondContact O-N 3.3Å
399	A	97	Very high	96.5	Very high	24 Å²	24	26.7 Å²	26.7	20%	0.198	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	148.5	175	0	0	0	0	0	110.2	L302 Y397 E406 F407	L302-A399 HydrophobicContact CD1-CB 4.11Å; Y397-A399 HydrophobicContact CE1-CB 4.1Å; A399-E406 HydrophobicContact CB-CG 3.66Å; A399-F407 VanDerWaalsContact CA-O 3.31Å; A399-F407 WeakPolarHBondContact CA-O 3.45Å
400	I	97.1	Very high	96.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	162	172.6	62.4	161	0	0	0	109.2	C146 A150 L153 Y308 A402 E406 F407	C146-I400 HydrophobicContact CB-CD1 4.1Å; C146-I400 WeakPolarHBondContact O-CD1 3.05Å; A150-I400 HydrophobicContact CB-CD1 3.66Å; A150-I400 HydrophobicContact CB-CG1 3.68Å; A150-I400 HydrophobicContact CB-CG2 4.32Å; L153-I400 HydrophobicContact CD1-CG2 3.67Å; Y308-I400 HydrophobicContact CD1-CG2 4.38Å; Y308-I400 HydrophobicContact CD2-CG2 4.21Å; Y308-I400 HydrophobicContact CE1-CB 4.01Å; Y308-I400 HydrophobicContact CE1-CG2 4.14Å; Y308-I400 HydrophobicContact CE2-CB 4.14Å; Y308-I400 HydrophobicContact CE2-CG2 3.91Å; Y308-I400 HydrophobicContact CG-CG2 4.43Å; I400-A402 PolarHBondContact O-N 3.16Å; I400-A402 VanDerWaalsContact O-N 3.14Å; I400-E406 WeakPolarHBondContact O-CA 3.19Å; I400-F407 HydrophobicContact CG1-CB 4.34Å; I400-F407 PolarHBondContact N-O 2.87Å; I400-F407 PolarHBondContact O-N 2.93Å
401	E	96.9	Very high	96.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	87.3	168.8	-163.8	70.5	-167.7	0	0	108.8	R179 G290 R294 D301 L302 R303 Y308	R179-E401 PolarHBondContact NH2-O 3.46Å; G290-E401 WeakPolarHBondContact CA-OE1 3.38Å; R294-E401 IonicContact CZ-OE1 2.76Å; R294-E401 IonicContact NH1-OE1 3.82Å; R294-E401 PolarHBondContact NH1-OE1 2.86Å; R294-E401 IonicContact NH2-OE1 2.63Å; R294-E401 PolarHBondContact NH2-OE1 2.77Å; D301-E401 WeakPolarHBondContact OD1-CG 3.42Å; L302-E401 HydrophobicContact CB-CB 4.15Å; L302-E401 PolarHBondContact N-OE2 2.93Å; R303-E401 HydrophobicContact CG-CB 3.86Å; Y308-E401 PolarHBondContact OH-N 3Å; Y308-E401 VanDerWaalsContact OH-N 3.17Å
402	A	95.8	Very high	96.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.008	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	161.4	165.4	0	0	0	0	0	109.7	I400 K404 G405 F407	I400-A402 PolarHBondContact O-N 3.16Å; I400-A402 VanDerWaalsContact O-N 3.14Å; A402-K404 PolarHBondContact O-N 3.03Å; A402-K404 VanDerWaalsContact O-N 3.17Å; A402-G405 WeakPolarHBondContact CA-O 3.48Å; A402-G405 WeakPolarHBondContact CB-O 3.42Å; A402-G405 PolarHBondContact N-O 3.33Å; A402-G405 PolarHBondContact O-N 3.49Å; A402-F407 HydrophobicContact CB-CB 3.65Å
403	P	95.9	Very high	96.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.8	-179.8	-22.5	34.6	0	0	0	113.3	R179 N182 H183	R179-P403 HydrophobicContact CB-CG 4.03Å; R179-P403 HydrophobicContact CG-CB 4.06Å; R179-P403 HydrophobicContact CG-CG 4.08Å; N182-P403 HydrophobicContact CB-CB 3.65Å; N182-P403 HydrophobicContact CB-CG 3.82Å; H183-P403 PolarHBondContact CE1-O 3.33Å
404	K	94.8	Very high	96.7	Very high	3 Å²	3	24.3 Å²	24.3	1%	0.013	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-25.7	173.5	-63.1	-174.6	-175.2	-60.8	0	113	D140 A402 P427 H431 D455 V457 E460	D140-K404 WeakPolarHBondContact OD1-CE 3.47Å; D140-K404 VanDerWaalsContact OD2-CD 3.22Å; D140-K404 WeakPolarHBondContact OD2-CD 3.21Å; D140-K404 WeakPolarHBondContact OD2-CE 3.48Å; A402-K404 PolarHBondContact O-N 3.03Å; A402-K404 VanDerWaalsContact O-N 3.17Å; K404-P427 HydrophobicContact CB-CB 4.35Å; K404-P427 HydrophobicContact CB-CG 3.63Å; K404-H431 PolarHBondContact O-CE1 3.31Å; K404-H431 VanDerWaalsContact O-CE1 3.32Å; K404-D455 WeakPolarHBondContact CD-O 3.47Å; K404-D455 WeakPolarHBondContact CG-OD2 3.44Å; K404-D455 PolarHBondContact NZ-O 3.2Å; K404-D455 IonicContact NZ-OD1 3.69Å; K404-D455 PolarHBondContact NZ-OD1 3.46Å; K404-D455 IonicContact NZ-OD2 2.62Å; K404-D455 PolarHBondContact NZ-OD2 3.48Å; K404-V457 VanDerWaalsContact CE-CG2 3.47Å; K404-E460 WeakPolarHBondContact CD-OE1 3.49Å
405	G	95	Very high	96.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.9	-151.2	-179.7	0	0	0	0	0	112.6	G290 A402 F407	G290-G405 VanDerWaalsContact CA-CA 3.46Å; A402-G405 WeakPolarHBondContact CA-O 3.48Å; A402-G405 WeakPolarHBondContact CB-O 3.42Å; A402-G405 PolarHBondContact N-O 3.33Å; A402-G405 PolarHBondContact O-N 3.49Å; G405-F407 PolarHBondContact O-N 3.06Å
406	E	96.4	Very high	96.5	Very high	44 Å²	44	22.9 Å²	22.9	21%	0.206	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	104.2	-176.4	174.1	-173.9	-155.9	0	0	109.8	S289 L302 A399 I400 K425	S289-E406 PolarHBondContact OG-N 3.49Å; L302-E406 HydrophobicContact CD1-CB 4.08Å; L302-E406 HydrophobicContact CD1-CG 3.77Å; A399-E406 HydrophobicContact CB-CG 3.66Å; I400-E406 WeakPolarHBondContact O-CA 3.19Å; E406-K425 HydrophobicContact CG-CD 4.48Å; E406-K425 WeakPolarHBondContact O-CD 3.42Å; E406-K425 PolarHBondContact O-NZ 2.96Å; E406-K425 IonicContact OE2-NZ 2.71Å; E406-K425 PolarHBondContact OE2-NZ 3.42Å
407	F	97.2	Very high	96.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	114.9	172.3	-177.1	-92.6	0	0	0	109	F136 L139 N147 A150 A399 I400 A402 G405 V409 I424	F136-F407 HydrophobicContact CD1-CE1 4.45Å; F136-F407 HydrophobicContact CD1-CZ 4.34Å; L139-F407 HydrophobicContact CD1-CZ 4.24Å; N147-F407 HydrophobicContact CB-CE1 4.32Å; N147-F407 HydrophobicContact CB-CZ 4.33Å; A150-F407 HydrophobicContact CB-CD1 3.43Å; A150-F407 VanDerWaalsContact CB-CD1 3.43Å; A150-F407 HydrophobicContact CB-CE1 3.65Å; A399-F407 VanDerWaalsContact CA-O 3.31Å; A399-F407 WeakPolarHBondContact CA-O 3.45Å; I400-F407 HydrophobicContact CG1-CB 4.34Å; I400-F407 PolarHBondContact N-O 2.87Å; I400-F407 PolarHBondContact O-N 2.93Å; A402-F407 HydrophobicContact CB-CB 3.65Å; G405-F407 PolarHBondContact O-N 3.06Å; F407-V409 HydrophobicContact CD1-CG2 4.38Å; F407-V409 HydrophobicContact CE1-CG2 3.77Å; F407-I424 HydrophobicContact CD2-CG2 4.42Å; F407-I424 HydrophobicContact CE1-CG2 4.5Å; F407-I424 HydrophobicContact CE2-CG2 3.49Å; F407-I424 VanDerWaalsContact CE2-CG2 3.49Å; F407-I424 HydrophobicContact CZ-CG2 3.54Å
408	G	96.5	Very high	96.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.5	-175	0	0	0	0	0	112.7	T398 K425	T398-G408 CarbonylContact O-C 3.54Å; T398-G408 WeakPolarHBondContact O-CA 3.2Å; G408-K425 PolarHBondContact N-O 3.17Å; G408-K425 PolarHBondContact O-N 3.32Å
409	V	97.5	Very high	96.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.8	171.8	-168.8	0	0	0	0	108.6	F136 A150 A154 T398 F407 L411	F136-V409 HydrophobicContact CD1-CG2 4.46Å; F136-V409 HydrophobicContact CE1-CG1 3.97Å; F136-V409 HydrophobicContact CE1-CG2 3.84Å; F136-V409 HydrophobicContact CZ-CG1 4.12Å; A150-V409 HydrophobicContact CB-CG2 4.06Å; A154-V409 HydrophobicContact CB-CB 4.31Å; T398-V409 PolarHBondContact N-O 2.7Å; T398-V409 VanDerWaalsContact N-O 3.09Å; T398-V409 PolarHBondContact O-N 3.3Å; F407-V409 HydrophobicContact CD1-CG2 4.38Å; F407-V409 HydrophobicContact CE1-CG2 3.77Å; V409-L411 HydrophobicContact CG1-CD1 4.47Å; V409-L411 HydrophobicContact CG1-CD2 4.16Å; V409-L411 HydrophobicContact CG1-CG 3.83Å
410	Y	98.1	Very high	96.3	Very high	98 Å²	98	30.1 Å²	30.1	38%	0.384	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	106.1	170	-178.3	-110.9	0	0	0	108.9	A395 T396 V412 C422 K423	A395-Y410 HydrophobicContact CB-CE2 4.25Å; T396-Y410 CarbonylContact O-C 3Å; T396-Y410 VanDerWaalsContact O-CA 3.3Å; T396-Y410 WeakPolarHBondContact O-CA 3.45Å; T396-Y410 VanDerWaalsContact O-CD2 3.31Å; T396-Y410 WeakPolarHBondContact O-CD2 3.44Å; Y410-V412 HydrophobicContact CD1-CG2 4.26Å; Y410-V412 HydrophobicContact CE1-CG2 3.56Å; Y410-C422 WeakPolarHBondContact O-CA 3.31Å; Y410-K423 HydrophobicContact CD1-CB 4.31Å; Y410-K423 PolarHBondContact N-O 2.83Å; Y410-K423 PolarHBondContact O-N 2.79Å
411	L	97.4	Very high	96.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.3	178.9	-75.2	178.1	0	0	0	110.5	Y151 A154 V155 L158 A395 T396 V409 P419 C422	Y151-L411 HydrophobicContact CD2-CD1 4.13Å; Y151-L411 HydrophobicContact CE2-CD1 3.96Å; Y151-L411 HydrophobicContact CE2-CD2 4.22Å; A154-L411 HydrophobicContact CB-CD1 3.5Å; A154-L411 VanDerWaalsContact CB-CD1 3.5Å; A154-L411 HydrophobicContact CB-CG 4.2Å; V155-L411 HydrophobicContact CG2-CD1 3.71Å; L158-L411 HydrophobicContact CD1-CB 4.08Å; A395-L411 CarbonylContact C-O 3.06Å; A395-L411 VanDerWaalsContact CA-O 3.32Å; A395-L411 WeakPolarHBondContact CA-O 3.13Å; T396-L411 HydrophobicContact CG2-CB 3.96Å; T396-L411 PolarHBondContact N-O 2.84Å; T396-L411 PolarHBondContact O-N 2.93Å; V409-L411 HydrophobicContact CG1-CD1 4.47Å; V409-L411 HydrophobicContact CG1-CD2 4.16Å; V409-L411 HydrophobicContact CG1-CG 3.83Å; L411-P419 HydrophobicContact CD2-CB 4.39Å; L411-C422 HydrophobicContact CD2-CB 3.62Å; L411-C422 VanDerWaalsContact CD2-SG 3.54Å
412	V	97.8	Very high	96.3	Very high	32 Å²	32	33.6 Å²	33.6	19%	0.194	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.8	168.9	-174.7	0	0	0	0	108	G394 A395 Y410 Y420 R421	G394-V412 WeakPolarHBondContact O-CA 3.2Å; A395-V412 HydrophobicContact CB-CG2 4.21Å; Y410-V412 HydrophobicContact CD1-CG2 4.26Å; Y410-V412 HydrophobicContact CE1-CG2 3.56Å; V412-Y420 HydrophobicContact CG1-CD1 4.12Å; V412-Y420 WeakPolarHBondContact O-CB 3.33Å; V412-Y420 PolarHBondContact O-N 3.15Å; V412-R421 HydrophobicContact CB-CB 4Å; V412-R421 HydrophobicContact CG2-CB 4.14Å; V412-R421 PolarHBondContact N-O 3.32Å; V412-R421 PolarHBondContact O-N 3.03Å
413	S	96.8	Very high	96.3	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.6	173.2	-174.4	0	0	0	0	110.2	Y129 V391 P392 P393 G394 G415	Y129-S413 VanDerWaalsContact OH-CB 3.25Å; Y129-S413 WeakPolarHBondContact OH-CB 3.24Å; Y129-S413 PolarHBondContact OH-OG 3.08Å; Y129-S413 VanDerWaalsContact OH-OG 3.04Å; V391-S413 PolarHBondContact O-OG 3.4Å; P392-S413 WeakPolarHBondContact O-CB 3.48Å; P392-S413 PolarHBondContact O-OG 3.41Å; P393-S413 WeakPolarHBondContact CA-O 3.49Å; G394-S413 PolarHBondContact N-O 3.45Å; G394-S413 PolarHBondContact O-N 3.03Å; S413-G415 PolarHBondContact OG-N 3.05Å
414	D	94.6	Very high	96.4	Very high	88 Å²	88	37.5 Å²	37.5	47%	0.471	18%	0.175	S	C	.	.			trans	-97.5	6.2	174.6	62.5	-10.8	0	0	0	112.9	S416 Y420	D414-S416 WeakPolarHBondContact OD1-CB 3.15Å; D414-S416 PolarHBondContact OD1-N 2.64Å; D414-S416 PolarHBondContact OD1-OG 3.35Å; D414-Y420 HydrophobicContact CB-CD2 4.35Å; D414-Y420 HydrophobicContact CB-CG 4.49Å
415	G	93.6	Very high	96.4	Very high	29 Å²	29	39.9 Å²	39.9	30%	0.299	19%	0.186	S	C	.	.	S	Bend	trans	94.8	-4.5	-173.5	0	0	0	0	0	114	V391 S413	V391-G415 CarbonylContact O-C 3.47Å; V391-G415 WeakPolarHBondContact O-CA 3.39Å; S413-G415 PolarHBondContact OG-N 3.05Å
416	S	95.3	Very high	96.4	Very high	33 Å²	33	40 Å²	40	23%	0.231	19%	0.187	C	C	.	.	S	Bend	trans	-89.4	179.5	179.3	80.2	0	0	0	0	112.7	V391 D414 R418	V391-S416 PolarHBondContact N-O 2.99Å; D414-S416 WeakPolarHBondContact OD1-CB 3.15Å; D414-S416 PolarHBondContact OD1-N 2.64Å; D414-S416 PolarHBondContact OD1-OG 3.35Å; S416-R418 PolarHBondContact O-N 3.31Å; S416-R418 PolarHBondContact OG-N 2.95Å; S416-R418 PolarHBondContact OG-O 2.85Å; S416-R418 VanDerWaalsContact OG-O 3.06Å
417	S	95.8	Very high	96.4	Very high	17 Å²	17	38 Å²	38	12%	0.119	18%	0.177	C	C	.	.	S	Bend	trans	-82.9	4	173.9	64.8	0	0	0	0	114	T128 Y129 E387 Y389	T128-S417 WeakPolarHBondContact CA-O 3.4Å; T128-S417 WeakPolarHBondContact CB-O 3.46Å; Y129-S417 WeakPolarHBondContact CD2-O 3.49Å; Y129-S417 PolarHBondContact N-O 2.86Å; E387-S417 VanDerWaalsContact O-CB 3.23Å; E387-S417 WeakPolarHBondContact O-CB 3.45Å; E387-S417 PolarHBondContact O-OG 3.11Å; Y389-S417 WeakPolarHBondContact O-CA 3.34Å; Y389-S417 WeakPolarHBondContact O-CB 3.26Å
418	R	96.4	Very high	96.2	Very high	129 Å²	129	38 Å²	38	49%	0.487	18%	0.177	S	C	.	.	S	Bend	trans	-119.7	139.1	178.4	-63.4	-179.2	-71.3	-178	-1.3	109.5	K127 T128 S416 Y420	K127-R418 WeakPolarHBondContact O-CG 3.45Å; T128-R418 HydrophobicContact CG2-CG 4.23Å; S416-R418 PolarHBondContact O-N 3.31Å; S416-R418 PolarHBondContact OG-N 2.95Å; S416-R418 PolarHBondContact OG-O 2.85Å; S416-R418 VanDerWaalsContact OG-O 3.06Å; R418-Y420 PolarHBondContact O-N 2.86Å
419	P	96.8	Very high	96.2	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	126.9	173.8	28.6	-30.1	0	0	0	109.5	I124 K127 Y129 L411	I124-P419 HydrophobicContact CG2-CB 4.43Å; I124-P419 HydrophobicContact CG2-CG 3.52Å; K127-P419 WeakPolarHBondContact O-CD 3.4Å; Y129-P419 HydrophobicContact CD1-CB 4.43Å; Y129-P419 HydrophobicContact CE1-CB 3.8Å; Y129-P419 HydrophobicContact CE1-CG 4.38Å; L411-P419 HydrophobicContact CD2-CB 4.39Å
420	Y	97	Very high	96.1	Very high	151 Å²	151	43.5 Å²	43.5	59%	0.592	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	-42.2	176.6	179	-96.4	0	0	0	111.3	V412 D414 R418	V412-Y420 HydrophobicContact CG1-CD1 4.12Å; V412-Y420 WeakPolarHBondContact O-CB 3.33Å; V412-Y420 PolarHBondContact O-N 3.15Å; D414-Y420 HydrophobicContact CB-CD2 4.35Å; D414-Y420 HydrophobicContact CB-CG 4.49Å; R418-Y420 PolarHBondContact O-N 2.86Å
421	R	96.3	Very high	96	Very high	74 Å²	74	39 Å²	39	28%	0.279	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	138.6	174.8	-172.2	69.7	-175	114.8	14.7	109.9	E121 E125 V412	E121-R421 IonicContact OE2-CZ 2.91Å; E121-R421 IonicContact OE2-NH1 3.78Å; E121-R421 IonicContact OE2-NH2 3.17Å; E121-R421 PolarHBondContact OE2-NH2 3.17Å; E125-R421 VanDerWaalsContact OE1-CD 3.3Å; E125-R421 WeakPolarHBondContact OE1-CD 3.28Å; E125-R421 IonicContact OE1-CZ 3.12Å; E125-R421 IonicContact OE1-NE 3.55Å; E125-R421 IonicContact OE1-NH1 3.19Å; E125-R421 PolarHBondContact OE1-NH1 3.38Å; V412-R421 HydrophobicContact CB-CB 4Å; V412-R421 HydrophobicContact CG2-CB 4.14Å; V412-R421 PolarHBondContact N-O 3.32Å; V412-R421 PolarHBondContact O-N 3.03Å
422	C	96.5	Very high	95.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	111.2	171.3	179	0	0	0	0	109	E121 I124 Y410 L411	E121-C422 WeakPolarHBondContact CG-O 3.47Å; I124-C422 HydrophobicContact CB-CB 4.49Å; I124-C422 HydrophobicContact CG2-CB 3.69Å; Y410-C422 WeakPolarHBondContact O-CA 3.31Å; L411-C422 HydrophobicContact CD2-CB 3.62Å; L411-C422 VanDerWaalsContact CD2-SG 3.54Å
423	K	97.2	Very high	95.7	Very high	82 Å²	82	40.8 Å²	40.8	36%	0.357	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.1	172	180	81.9	-162.4	84.3	0	108.9	E121 Y410	E121-K423 WeakPolarHBondContact OE1-CD 3.28Å; E121-K423 IonicContact OE1-NZ 2.73Å; E121-K423 PolarHBondContact OE1-NZ 2.9Å; E121-K423 IonicContact OE2-NZ 3.46Å; Y410-K423 HydrophobicContact CD1-CB 4.31Å; Y410-K423 PolarHBondContact N-O 2.83Å; Y410-K423 PolarHBondContact O-N 2.79Å
424	I	96.7	Very high	95.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.3	175.1	-62.6	135.2	0	0	0	109.3	E121 F136 L139 F407 R463	E121-I424 HydrophobicContact CG-CD1 4.11Å; E121-I424 PolarHBondContact OE1-N 3.4Å; F136-I424 HydrophobicContact CE1-CD1 4.21Å; F136-I424 HydrophobicContact CE1-CG1 3.86Å; L139-I424 HydrophobicContact CD1-CD1 3.42Å; L139-I424 VanDerWaalsContact CD1-CD1 3.42Å; L139-I424 HydrophobicContact CD1-CG1 4.03Å; L139-I424 HydrophobicContact CD1-CG2 4.22Å; L139-I424 HydrophobicContact CD2-CD1 4.43Å; F407-I424 HydrophobicContact CD2-CG2 4.42Å; F407-I424 HydrophobicContact CE1-CG2 4.5Å; F407-I424 HydrophobicContact CE2-CG2 3.49Å; F407-I424 VanDerWaalsContact CE2-CG2 3.49Å; F407-I424 HydrophobicContact CZ-CG2 3.54Å; I424-R463 PolarHBondContact O-NH1 3.2Å
425	K	96.3	Very high	95.5	Very high	53 Å²	53	36.4 Å²	36.4	23%	0.23	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	97.7	169	-175.4	-97.8	-175.7	179.8	0	107.7	Y397 E406 G408	Y397-K425 HydrophobicContact CE2-CB 4.34Å; E406-K425 HydrophobicContact CG-CD 4.48Å; E406-K425 WeakPolarHBondContact O-CD 3.42Å; E406-K425 PolarHBondContact O-NZ 2.96Å; E406-K425 IonicContact OE2-NZ 2.71Å; E406-K425 PolarHBondContact OE2-NZ 3.42Å; G408-K425 PolarHBondContact N-O 3.17Å; G408-K425 PolarHBondContact O-N 3.32Å
426	A	94.9	Very high	95.6	Very high	3 Å²	3	36.7 Å²	36.7	3%	0.025	18%	0.176	C	C	.	.			trans	-87.2	132.3	176.4	0	0	0	0	0	110.3	F429 E460 R463	A426-F429 HydrophobicContact CB-CB 4.43Å; A426-F429 PolarHBondContact O-N 3.4Å; A426-E460 HydrophobicContact CB-CB 3.88Å; A426-E460 HydrophobicContact CB-CG 4.22Å; A426-E460 WeakPolarHBondContact CB-O 3.46Å; A426-R463 VanDerWaalsContact N-NH1 3.16Å
427	P	95.1	Very high	95.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.3	-44	176.3	23.9	-33.2	0	0	0	112.1	K404 F429 A430 H431 E460	K404-P427 HydrophobicContact CB-CB 4.35Å; K404-P427 HydrophobicContact CB-CG 3.63Å; P427-F429 PolarHBondContact O-N 3.42Å; P427-F429 VanDerWaalsContact O-N 3.12Å; P427-A430 PolarHBondContact O-N 3.25Å; P427-H431 VanDerWaalsContact O-CG 3.29Å; P427-H431 PolarHBondContact O-N 2.71Å; P427-H431 VanDerWaalsContact O-N 3.09Å; P427-E460 WeakPolarHBondContact CD-OE2 3.03Å
428	G	93.9	Very high	95.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-24.6	-177.5	0	0	0	0	0	114.4	L432 E460	G428-L432 VanDerWaalsContact O-CB 3.26Å; G428-L432 WeakPolarHBondContact O-CB 3.05Å; G428-L432 PolarHBondContact O-N 2.9Å; G428-E460 VanDerWaalsContact CA-OE1 3.26Å; G428-E460 WeakPolarHBondContact CA-OE1 3.44Å; G428-E460 PolarHBondContact N-OE1 3.09Å
429	F	95.8	Very high	95.3	Very high	99 Å²	99	32.3 Å²	32.3	43%	0.434	15%	0.154	S	C	.	.	H	α-helix	trans	-68.5	-42.5	175.1	-176.9	-94.9	0	0	0	112.3	I113 A426 P427 A433 V461	I113-F429 HydrophobicContact CD1-CD2 4.09Å; I113-F429 HydrophobicContact CD1-CE2 3.71Å; A426-F429 HydrophobicContact CB-CB 4.43Å; A426-F429 PolarHBondContact O-N 3.4Å; P427-F429 PolarHBondContact O-N 3.42Å; P427-F429 VanDerWaalsContact O-N 3.12Å; F429-A433 PolarHBondContact O-N 2.9Å; F429-A433 VanDerWaalsContact O-N 3.14Å; F429-V461 HydrophobicContact CD2-CG1 4.06Å
430	A	95.8	Very high	95.2	Very high	18 Å²	18	37.2 Å²	37.2	15%	0.149	18%	0.175	C	C	.	.	H	α-helix	trans	-70.2	-39.9	176.2	0	0	0	0	0	110.8	G287 F288 P427 L432 A433 G434	G287-A430 WeakPolarHBondContact O-CB 3.43Å; F288-A430 WeakPolarHBondContact CE1-O 3.43Å; P427-A430 PolarHBondContact O-N 3.25Å; A430-L432 PolarHBondContact O-N 3.34Å; A430-A433 WeakPolarHBondContact O-CB 3.35Å; A430-A433 PolarHBondContact O-N 3.5Å; A430-G434 PolarHBondContact O-N 2.89Å
431	H	95.4	Very high	95	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	17%	0.17	C	C	.	.	H	α-helix	trans	-58.9	-47.8	175.7	-57.4	162.8	0	0	0	111.8	F288 S289 K404 P427 A433 G434 L435 Q454	F288-H431 AromaticContact CD1-CD2 3.85Å; S289-H431 PolarHBondContact O-NE2 2.92Å; S289-H431 VanDerWaalsContact O-NE2 3.09Å; K404-H431 PolarHBondContact O-CE1 3.31Å; K404-H431 VanDerWaalsContact O-CE1 3.32Å; P427-H431 VanDerWaalsContact O-CG 3.29Å; P427-H431 PolarHBondContact O-N 2.71Å; P427-H431 VanDerWaalsContact O-N 3.09Å; H431-A433 VanDerWaalsContact C-N 3.32Å; H431-A433 PolarHBondContact O-N 2.96Å; H431-G434 WeakPolarHBondContact O-CA 3.47Å; H431-G434 PolarHBondContact O-N 2.84Å; H431-L435 PolarHBondContact O-N 2.85Å; H431-Q454 VanDerWaalsContact C-OE1 3.27Å; H431-Q454 HydrophobicContact CB-CB 4.31Å; H431-Q454 HydrophobicContact CB-CG 4.22Å; H431-Q454 PolarHBondContact O-OE1 3.49Å
432	L	94.6	Very high	94.9	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-67.4	-31.4	-179.6	-169	68.7	0	0	0	112.8	L95 P111 I113 G428 A430 G434 L435 I456 F458 V461	L95-L432 HydrophobicContact CD1-CD2 4.4Å; P111-L432 HydrophobicContact CB-CD1 4.23Å; P111-L432 HydrophobicContact CB-CD2 4.36Å; P111-L432 HydrophobicContact CB-CG 4.17Å; P111-L432 HydrophobicContact CG-CG 4.26Å; I113-L432 HydrophobicContact CG2-CD2 3.33Å; G428-L432 VanDerWaalsContact O-CB 3.26Å; G428-L432 WeakPolarHBondContact O-CB 3.05Å; G428-L432 PolarHBondContact O-N 2.9Å; A430-L432 PolarHBondContact O-N 3.34Å; L432-G434 PolarHBondContact O-N 2.91Å; L432-L435 HydrophobicContact CD1-CB 4.32Å; L432-L435 HydrophobicContact CD1-CD2 3.84Å; L432-L435 WeakPolarHBondContact O-CB 3.38Å; L432-L435 PolarHBondContact O-N 3.03Å; L432-I456 HydrophobicContact CD1-CD1 3.85Å; L432-F458 HydrophobicContact CD2-CE1 4.46Å; L432-V461 HydrophobicContact CD2-CG1 4.01Å
433	A	94.4	Very high	94.8	Very high	66 Å²	66	34.8 Å²	34.8	55%	0.545	19%	0.187	S	C	.	.	H	α-helix	trans	-61.8	-28.8	171.4	0	0	0	0	0	112.2	F429 A430 H431	F429-A433 PolarHBondContact O-N 2.9Å; F429-A433 VanDerWaalsContact O-N 3.14Å; A430-A433 WeakPolarHBondContact O-CB 3.35Å; A430-A433 PolarHBondContact O-N 3.5Å; H431-A433 VanDerWaalsContact C-N 3.32Å; H431-A433 PolarHBondContact O-N 2.96Å
434	G	93.5	Very high	94.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.01	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.3	174.2	0	0	0	0	0	115.2	A430 H431 L432 D436 K437 M438	A430-G434 PolarHBondContact O-N 2.89Å; H431-G434 WeakPolarHBondContact O-CA 3.47Å; H431-G434 PolarHBondContact O-N 2.84Å; L432-G434 PolarHBondContact O-N 2.91Å; G434-D436 VanDerWaalsContact C-N 3.34Å; G434-D436 PolarHBondContact O-N 2.79Å; G434-K437 PolarHBondContact O-N 3.19Å; G434-K437 VanDerWaalsContact O-N 3.1Å; G434-M438 WeakPolarHBondContact O-CE 3.43Å; G434-M438 PolarHBondContact O-N 3.41Å
435	L	94.6	Very high	94.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.6	-42.2	-176.4	-177.4	68.2	0	0	0	112.6	L97 P111 H431 L432 K437 M438 S439 I450 I451	L97-L435 HydrophobicContact CD2-CD2 3.77Å; P111-L435 HydrophobicContact CB-CD2 4.29Å; P111-L435 HydrophobicContact CG-CD2 4.44Å; H431-L435 PolarHBondContact O-N 2.85Å; L432-L435 HydrophobicContact CD1-CB 4.32Å; L432-L435 HydrophobicContact CD1-CD2 3.84Å; L432-L435 WeakPolarHBondContact O-CB 3.38Å; L432-L435 PolarHBondContact O-N 3.03Å; L435-K437 VanDerWaalsContact C-N 3.26Å; L435-K437 PolarHBondContact O-N 3.02Å; L435-M438 PolarHBondContact O-N 3.18Å; L435-S439 WeakPolarHBondContact O-CB 3.43Å; L435-S439 PolarHBondContact O-N 3.08Å; L435-S439 PolarHBondContact O-OG 3.1Å; L435-I450 HydrophobicContact CD1-CG2 3.67Å; L435-I451 HydrophobicContact CD1-CG1 4.08Å
436	D	94.7	Very high	94.4	Very high	36 Å²	36	34.2 Å²	34.2	19%	0.193	20%	0.196	C	C	.	.	H	α-helix	trans	-59.4	-39.1	177.8	-179.4	50.8	0	0	0	111.5	K108 C109 G434 S439 K440	K108-D436 WeakPolarHBondContact CA-OD1 3.28Å; C109-D436 PolarHBondContact N-OD1 3Å; C109-D436 WeakPolarHBondContact O-CB 2.94Å; G434-D436 VanDerWaalsContact C-N 3.34Å; G434-D436 PolarHBondContact O-N 2.79Å; D436-S439 PolarHBondContact O-OG 3.15Å; D436-K440 VanDerWaalsContact CG-CE 3.46Å; D436-K440 WeakPolarHBondContact O-CD 3.48Å; D436-K440 WeakPolarHBondContact O-CG 3.41Å; D436-K440 PolarHBondContact O-N 3.26Å; D436-K440 WeakPolarHBondContact OD1-CE 3.13Å; D436-K440 IonicContact OD1-NZ 3.43Å; D436-K440 WeakPolarHBondContact OD2-CE 3.27Å; D436-K440 IonicContact OD2-NZ 3.47Å; D436-K440 PolarHBondContact OD2-NZ 2.71Å
437	K	94.1	Very high	94.3	Very high	79 Å²	79	34.2 Å²	34.2	34%	0.343	20%	0.196	S	C	.	.	H	α-helix	trans	-72.4	-42.9	178.8	-174.8	150.6	-177.1	172.8	0	112	E282 Y286 G434 L435 S439	E282-K437 WeakPolarHBondContact OE1-CE 3.38Å; E282-K437 IonicContact OE1-NZ 2.78Å; E282-K437 PolarHBondContact OE1-NZ 2.88Å; Y286-K437 HydrophobicContact CE1-CB 4.18Å; Y286-K437 HydrophobicContact CE1-CD 4.34Å; Y286-K437 HydrophobicContact CE2-CD 3.72Å; Y286-K437 WeakPolarHBondContact OH-CD 3.24Å; G434-K437 PolarHBondContact O-N 3.19Å; G434-K437 VanDerWaalsContact O-N 3.1Å; L435-K437 VanDerWaalsContact C-N 3.26Å; L435-K437 PolarHBondContact O-N 3.02Å; K437-S439 VanDerWaalsContact C-N 3.32Å; K437-S439 PolarHBondContact O-N 3.42Å
438	M	94.4	Very high	94.2	Very high	7 Å²	7	35.3 Å²	35.3	3%	0.034	20%	0.202	C	C	.	.	H	α-helix	trans	-69.7	-26.8	179.6	-73	-177.4	-76	0	0	113.6	V278 F288 M292 G434 L435 H442 I450 Q454	V278-M438 HydrophobicContact CG2-CG 3.67Å; V278-M438 HydrophobicContact CG2-SD 3.73Å; F288-M438 HydrophobicContact CE2-CE 4.34Å; F288-M438 HydrophobicContact CE2-SD 4.23Å; F288-M438 HydrophobicContact CZ-CE 3.75Å; F288-M438 HydrophobicContact CZ-SD 4.22Å; M292-M438 HydrophobicContact CE-CE 4.21Å; M292-M438 HydrophobicContact CE-SD 3.6Å; G434-M438 WeakPolarHBondContact O-CE 3.43Å; G434-M438 PolarHBondContact O-N 3.41Å; L435-M438 PolarHBondContact O-N 3.18Å; M438-H442 PolarHBondContact O-CD2 3.36Å; M438-I450 HydrophobicContact CB-CG2 3.8Å; M438-I450 HydrophobicContact CE-CG2 4.48Å; M438-I450 VanDerWaalsContact O-CD1 3.24Å; M438-I450 WeakPolarHBondContact O-CD1 3.44Å; M438-I450 HydrophobicContact SD-CG2 4.35Å; M438-Q454 VanDerWaalsContact CE-CD 3.43Å; M438-Q454 HydrophobicContact CE-CG 4.13Å
439	S	94.4	Very high	94.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-92.9	-14.1	-177.3	56.7	0	0	0	0	114.2	C109 L435 D436 K437 G441 H442	C109-S439 WeakPolarHBondContact CB-OG 3.39Å; L435-S439 WeakPolarHBondContact O-CB 3.43Å; L435-S439 PolarHBondContact O-N 3.08Å; L435-S439 PolarHBondContact O-OG 3.1Å; D436-S439 PolarHBondContact O-OG 3.15Å; K437-S439 VanDerWaalsContact C-N 3.32Å; K437-S439 PolarHBondContact O-N 3.42Å; S439-G441 PolarHBondContact O-N 2.96Å; S439-H442 WeakPolarHBondContact O-CB 3.44Å; S439-H442 PolarHBondContact O-N 3.02Å; S439-H442 VanDerWaalsContact O-N 3.11Å
440	K	93.7	Very high	94.3	Very high	104 Å²	104	30.6 Å²	30.6	45%	0.452	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	126.2	179.5	-91.5	165.9	-169.7	169	0	111.9	R107 D436 H442	R107-K440 WeakPolarHBondContact O-CG 3.47Å; D436-K440 VanDerWaalsContact CG-CE 3.46Å; D436-K440 WeakPolarHBondContact O-CD 3.48Å; D436-K440 WeakPolarHBondContact O-CG 3.41Å; D436-K440 PolarHBondContact O-N 3.26Å; D436-K440 WeakPolarHBondContact OD1-CE 3.13Å; D436-K440 IonicContact OD1-NZ 3.43Å; D436-K440 WeakPolarHBondContact OD2-CE 3.27Å; D436-K440 IonicContact OD2-NZ 3.47Å; D436-K440 PolarHBondContact OD2-NZ 2.71Å; K440-H442 PolarHBondContact O-N 2.86Å
441	G	91.8	Very high	94.2	Very high	47 Å²	47	30 Å²	30	49%	0.485	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	11.2	179.1	0	0	0	0	0	114	M105 V106 S439	M105-G441 WeakPolarHBondContact CE-O 3.34Å; V106-G441 PolarHBondContact O-N 2.95Å; S439-G441 PolarHBondContact O-N 2.96Å
442	H	95.3	Very high	94	Very high	37 Å²	37	30 Å²	30	17%	0.171	18%	0.177	C	C	.	.	S	Bend	trans	-102.7	167	170	-70	-72.5	0	0	0	111.6	V106 D274 G276 M438 S439 K440 D446	V106-H442 WeakPolarHBondContact CG2-O 3.4Å; V106-H442 PolarHBondContact N-O 2.91Å; D274-H442 PolarHBondContact O-CE1 2.83Å; G276-H442 PolarHBondContact N-NE2 2.82Å; M438-H442 PolarHBondContact O-CD2 3.36Å; S439-H442 WeakPolarHBondContact O-CB 3.44Å; S439-H442 PolarHBondContact O-N 3.02Å; S439-H442 VanDerWaalsContact O-N 3.11Å; K440-H442 PolarHBondContact O-N 2.86Å; H442-D446 HydrophobicContact CB-CB 3.91Å
443	M	94.9	Very high	94	Very high	91 Å²	91	29.9 Å²	29.9	45%	0.448	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-81.8	161.8	176.1	-57	179.7	-149.6	0	0	111	E104 M105 A445 D446 V447	E104-M443 WeakPolarHBondContact O-CA 3.48Å; M105-M443 HydrophobicContact SD-CG 4.07Å; M443-A445 PolarHBondContact O-N 3.38Å; M443-D446 PolarHBondContact N-OD2 2.85Å; M443-D446 VanDerWaalsContact N-OD2 3.16Å; M443-D446 WeakPolarHBondContact O-CB 3.1Å; M443-D446 PolarHBondContact O-N 3.03Å; M443-V447 PolarHBondContact O-N 3.29Å
444	L	92.3	Very high	93.9	Very high	61 Å²	61	26.7 Å²	26.7	32%	0.319	15%	0.15	S	C	.	.	H	α-helix	trans	-53	-39.9	175.9	179.9	64.1	0	0	0	113.1	M99 E104 D446 V447	M99-L444 HydrophobicContact CE-CD1 3.25Å; M99-L444 HydrophobicContact SD-CD1 3.73Å; E104-L444 PolarHBondContact O-N 3.33Å; L444-D446 PolarHBondContact O-N 3.08Å; L444-V447 WeakPolarHBondContact O-CB 3.39Å; L444-V447 PolarHBondContact O-N 2.94Å
445	A	93	Very high	93.8	Very high	48 Å²	48	27.1 Å²	27.1	40%	0.397	15%	0.152	S	C	.	.	H	α-helix	trans	-67.1	-24	179.5	0	0	0	0	0	112.9	R271 M443	R271-A445 PolarHBondContact NH2-O 3.27Å; M443-A445 PolarHBondContact O-N 3.38Å
446	D	95.1	Very high	93.6	Very high	14 Å²	14	27.8 Å²	27.8	8%	0.075	16%	0.156	C	C	.	.	H	α-helix	trans	-84	-26.4	-178.9	-56.3	-23.5	0	0	0	110.9	R271 I275 H442 M443 L444 V448 A449 I450	R271-D446 IonicContact CZ-OD1 2.71Å; R271-D446 IonicContact NH1-OD1 3.09Å; R271-D446 PolarHBondContact NH1-OD1 2.89Å; I275-D446 HydrophobicContact CD1-CB 4.13Å; I275-D446 HydrophobicContact CG2-CB 3.9Å; H442-D446 HydrophobicContact CB-CB 3.91Å; M443-D446 PolarHBondContact N-OD2 2.85Å; M443-D446 VanDerWaalsContact N-OD2 3.16Å; M443-D446 WeakPolarHBondContact O-CB 3.1Å; M443-D446 PolarHBondContact O-N 3.03Å; L444-D446 PolarHBondContact O-N 3.08Å; D446-V448 PolarHBondContact O-N 2.9Å; D446-A449 WeakPolarHBondContact O-CA 3.47Å; D446-A449 VanDerWaalsContact O-CB 3.31Å; D446-A449 WeakPolarHBondContact O-CB 3.41Å; D446-A449 PolarHBondContact O-N 2.88Å; D446-I450 VanDerWaalsContact O-CG1 3.28Å; D446-I450 WeakPolarHBondContact O-CG1 3.42Å; D446-I450 PolarHBondContact O-N 3.45Å
447	V	94	Very high	93.5	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.018	15%	0.148	C	C	.	.	H	α-helix	trans	-56.9	-39.8	171.6	-176.8	0	0	0	0	110.8	L97 M99 V106 M443 L444 A449 I450 I451	L97-V447 HydrophobicContact CD1-CG1 4.35Å; M99-V447 HydrophobicContact SD-CG1 4.2Å; M99-V447 HydrophobicContact SD-CG2 4.18Å; V106-V447 HydrophobicContact CG2-CG2 3.71Å; M443-V447 PolarHBondContact O-N 3.29Å; L444-V447 WeakPolarHBondContact O-CB 3.39Å; L444-V447 PolarHBondContact O-N 2.94Å; V447-A449 VanDerWaalsContact C-N 3.34Å; V447-A449 PolarHBondContact O-N 3.34Å; V447-I450 PolarHBondContact O-N 3.08Å; V447-I451 HydrophobicContact CG1-CD1 4Å; V447-I451 HydrophobicContact CG1-CG1 4.48Å; V447-I451 VanDerWaalsContact O-CG1 3.28Å; V447-I451 WeakPolarHBondContact O-CG1 3.39Å; V447-I451 PolarHBondContact O-N 2.88Å
448	V	93.7	Very high	93.3	Very high	23 Å²	23	22.7 Å²	22.7	14%	0.139	13%	0.132	C	C	.	.	H	α-helix	trans	-61.9	-42.6	175	173.8	0	0	0	0	111.2	A90 D193 D446 I450 I451 G452	A90-V448 HydrophobicContact CB-CB 4.41Å; A90-V448 HydrophobicContact CB-CG1 3.69Å; A90-V448 HydrophobicContact CB-CG2 3.92Å; D193-V448 HydrophobicContact CB-CG1 3.74Å; D446-V448 PolarHBondContact O-N 2.9Å; V448-I450 VanDerWaalsContact C-N 3.32Å; V448-I450 PolarHBondContact O-N 2.88Å; V448-I451 PolarHBondContact O-N 2.89Å; V448-G452 PolarHBondContact O-N 3.03Å
449	A	95.1	Very high	93.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.4	-41.2	175.1	0	0	0	0	0	111.7	H190 L194 I275 D446 V447 G452 T453	H190-A449 PolarHBondContact CE1-O 3.32Å; L194-A449 HydrophobicContact CD1-CB 4.5Å; L194-A449 HydrophobicContact CD2-CB 3.84Å; I275-A449 HydrophobicContact CG2-CB 4.36Å; D446-A449 WeakPolarHBondContact O-CA 3.47Å; D446-A449 VanDerWaalsContact O-CB 3.31Å; D446-A449 WeakPolarHBondContact O-CB 3.41Å; D446-A449 PolarHBondContact O-N 2.88Å; V447-A449 VanDerWaalsContact C-N 3.34Å; V447-A449 PolarHBondContact O-N 3.34Å; A449-G452 PolarHBondContact O-N 3.34Å; A449-T453 PolarHBondContact O-N 3.01Å
450	I	95.4	Very high	93	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.2	-37.4	179.9	-67.5	162.1	0	0	0	111.5	I275 L435 M438 D446 V447 V448 T453 Q454	I275-I450 HydrophobicContact CG2-CD1 4.04Å; I275-I450 HydrophobicContact CG2-CG1 3.73Å; L435-I450 HydrophobicContact CD1-CG2 3.67Å; M438-I450 HydrophobicContact CB-CG2 3.8Å; M438-I450 HydrophobicContact CE-CG2 4.48Å; M438-I450 VanDerWaalsContact O-CD1 3.24Å; M438-I450 WeakPolarHBondContact O-CD1 3.44Å; M438-I450 HydrophobicContact SD-CG2 4.35Å; D446-I450 VanDerWaalsContact O-CG1 3.28Å; D446-I450 WeakPolarHBondContact O-CG1 3.42Å; D446-I450 PolarHBondContact O-N 3.45Å; V447-I450 PolarHBondContact O-N 3.08Å; V448-I450 VanDerWaalsContact C-N 3.32Å; V448-I450 PolarHBondContact O-N 2.88Å; I450-T453 VanDerWaalsContact O-CG2 3.31Å; I450-T453 WeakPolarHBondContact O-CG2 3.37Å; I450-Q454 VanDerWaalsContact CG2-NE2 3.25Å; I450-Q454 WeakPolarHBondContact O-CG 3.45Å; I450-Q454 PolarHBondContact O-N 3.39Å; I450-Q454 PolarHBondContact O-NE2 3.11Å
451	I	93.7	Very high	92.9	Very high	5 Å²	5	18 Å²	18	3%	0.026	11%	0.114	C	C	.	.	H	α-helix	trans	-66.6	-48.8	175.1	-68.8	163.8	0	0	0	109.9	L95 L97 L435 V447 V448 T453 Q454 I456	L95-I451 HydrophobicContact CD2-CD1 4.4Å; L97-I451 HydrophobicContact CD1-CD1 3.64Å; L435-I451 HydrophobicContact CD1-CG1 4.08Å; V447-I451 HydrophobicContact CG1-CD1 4Å; V447-I451 HydrophobicContact CG1-CG1 4.48Å; V447-I451 VanDerWaalsContact O-CG1 3.28Å; V447-I451 WeakPolarHBondContact O-CG1 3.39Å; V447-I451 PolarHBondContact O-N 2.88Å; V448-I451 PolarHBondContact O-N 2.89Å; I451-T453 PolarHBondContact O-N 3.23Å; I451-Q454 PolarHBondContact O-N 3.42Å; I451-I456 HydrophobicContact CG2-CD1 4.08Å
452	G	92.4	Very high	92.7	Very high	4 Å²	4	16.1 Å²	16.1	4%	0.041	9%	0.093	C	C	.	.	H	α-helix	trans	-62.7	-39.2	-179.8	0	0	0	0	0	113.1	V448 A449 Q454 D455	V448-G452 PolarHBondContact O-N 3.03Å; A449-G452 PolarHBondContact O-N 3.34Å; G452-Q454 VanDerWaalsContact C-N 3.26Å; G452-Q454 PolarHBondContact O-N 3.24Å; G452-D455 PolarHBondContact O-N 3.41Å; G452-D455 VanDerWaalsContact O-N 3.16Å
453	T	94.2	Very high	92.1	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.006	9%	0.09	C	C	.	.	H	α-helix	trans	-70.8	-18.4	179.3	-162.9	0	0	0	0	113.8	C326 R329 R333 A449 I450 I451 D455	C326-T453 HydrophobicContact CB-CG2 4.31Å; C326-T453 VanDerWaalsContact SG-CG2 3.53Å; R329-T453 VanDerWaalsContact NH1-CG2 3.27Å; R333-T453 PolarHBondContact NH1-O 3.35Å; R333-T453 PolarHBondContact NH2-O 3.41Å; A449-T453 PolarHBondContact O-N 3.01Å; I450-T453 VanDerWaalsContact O-CG2 3.31Å; I450-T453 WeakPolarHBondContact O-CG2 3.37Å; I451-T453 PolarHBondContact O-N 3.23Å; T453-D455 VanDerWaalsContact C-N 3.3Å
454	Q	92.4	Very high	91.9	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-81.2	-13.8	175	-74	168.2	48.9	0	0	112.4	M292 H431 M438 I450 I451 G452 I456	M292-Q454 HydrophobicContact CE-CG 4.19Å; M292-Q454 HydrophobicContact SD-CG 4.1Å; H431-Q454 VanDerWaalsContact C-OE1 3.27Å; H431-Q454 HydrophobicContact CB-CB 4.31Å; H431-Q454 HydrophobicContact CB-CG 4.22Å; H431-Q454 PolarHBondContact O-OE1 3.49Å; M438-Q454 VanDerWaalsContact CE-CD 3.43Å; M438-Q454 HydrophobicContact CE-CG 4.13Å; I450-Q454 VanDerWaalsContact CG2-NE2 3.25Å; I450-Q454 WeakPolarHBondContact O-CG 3.45Å; I450-Q454 PolarHBondContact O-N 3.39Å; I450-Q454 PolarHBondContact O-NE2 3.11Å; I451-Q454 PolarHBondContact O-N 3.42Å; G452-Q454 VanDerWaalsContact C-N 3.26Å; G452-Q454 PolarHBondContact O-N 3.24Å; Q454-I456 HydrophobicContact CB-CD1 3.89Å; Q454-I456 HydrophobicContact CB-CG1 3.76Å
455	D	91	Very high	91.9	Very high	9 Å²	9	9.4 Å²	9.4	5%	0.048	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	61.1	-178	-176.4	26.4	0	0	0	112.2	N182 A186 K404 G452 T453	N182-D455 PolarHBondContact OD1-OD2 2.84Å; A186-D455 HydrophobicContact CB-CB 3.87Å; A186-D455 WeakPolarHBondContact CB-OD1 3.23Å; K404-D455 WeakPolarHBondContact CD-O 3.47Å; K404-D455 WeakPolarHBondContact CG-OD2 3.44Å; K404-D455 PolarHBondContact NZ-O 3.2Å; K404-D455 IonicContact NZ-OD1 3.69Å; K404-D455 PolarHBondContact NZ-OD1 3.46Å; K404-D455 IonicContact NZ-OD2 2.62Å; K404-D455 PolarHBondContact NZ-OD2 3.48Å; G452-D455 PolarHBondContact O-N 3.41Å; G452-D455 VanDerWaalsContact O-N 3.16Å; T453-D455 VanDerWaalsContact C-N 3.3Å
456	I	89.5	Confident	91.9	Very high	14 Å²	14	7.2 Å²	7.2	7%	0.072	4%	0.04	C	C	.	.			trans	-85.8	128.4	-173.7	-60.8	154.8	0	0	0	110.7	L432 I451 Q454 F458 V461	L432-I456 HydrophobicContact CD1-CD1 3.85Å; I451-I456 HydrophobicContact CG2-CD1 4.08Å; Q454-I456 HydrophobicContact CB-CD1 3.89Å; Q454-I456 HydrophobicContact CB-CG1 3.76Å; I456-F458 HydrophobicContact CG2-CD1 4.25Å; I456-F458 HydrophobicContact CG2-CE1 3.77Å; I456-F458 HydrophobicContact CG2-CE2 4.07Å; I456-F458 HydrophobicContact CG2-CZ 3.66Å; I456-V461 HydrophobicContact CG2-CG2 3.94Å
457	V	92.6	Very high	91.7	Very high	6 Å²	6	6.8 Å²	6.8	4%	0.036	4%	0.038	C	C	.	.			trans	-118.1	115.4	168.2	168.5	0	0	0	0	108.7	Y141 V142 K404 G459 E460 V461	Y141-V457 HydrophobicContact CD1-CG1 3.61Å; Y141-V457 HydrophobicContact CD2-CG1 4.42Å; Y141-V457 HydrophobicContact CE1-CG1 3.24Å; Y141-V457 HydrophobicContact CE2-CG1 4.09Å; Y141-V457 HydrophobicContact CG-CG1 4.2Å; Y141-V457 VanDerWaalsContact CZ-CG1 3.49Å; V142-V457 HydrophobicContact CG2-CG2 3.87Å; K404-V457 VanDerWaalsContact CE-CG2 3.47Å; V457-G459 PolarHBondContact O-N 2.89Å; V457-G459 VanDerWaalsContact O-N 3.12Å; V457-E460 HydrophobicContact CB-CG 4.4Å; V457-E460 WeakPolarHBondContact O-CG 3.26Å; V457-E460 PolarHBondContact O-N 2.72Å; V457-E460 VanDerWaalsContact O-N 3.15Å; V457-V461 PolarHBondContact O-N 3.09Å
458	F	91.2	Very high	91.5	Very high	3 Å²	3	7.1 Å²	7.1	1%	0.013	4%	0.039	C	C	.	.	H	α-helix	trans	-66.2	-19.7	-172.1	-67	-76.2	0	0	0	114.3	A91 L95 L116 L432 I456 E460 V461 D462	A91-F458 WeakPolarHBondContact O-CE2 3.5Å; L95-F458 HydrophobicContact CB-CE1 3.82Å; L95-F458 HydrophobicContact CB-CE2 4.24Å; L95-F458 HydrophobicContact CB-CZ 3.56Å; L95-F458 HydrophobicContact CD1-CE1 3.7Å; L95-F458 HydrophobicContact CD1-CZ 4.14Å; L95-F458 HydrophobicContact CD2-CE1 4.35Å; L95-F458 HydrophobicContact CD2-CZ 3.96Å; L95-F458 HydrophobicContact CG-CE1 4.14Å; L95-F458 HydrophobicContact CG-CZ 4.08Å; L116-F458 HydrophobicContact CD2-CB 4.24Å; L432-F458 HydrophobicContact CD2-CE1 4.46Å; I456-F458 HydrophobicContact CG2-CD1 4.25Å; I456-F458 HydrophobicContact CG2-CE1 3.77Å; I456-F458 HydrophobicContact CG2-CE2 4.07Å; I456-F458 HydrophobicContact CG2-CZ 3.66Å; F458-E460 VanDerWaalsContact C-N 3.28Å; F458-E460 PolarHBondContact O-N 3.11Å; F458-V461 PolarHBondContact O-N 3.13Å; F458-D462 WeakPolarHBondContact O-CB 3.41Å; F458-D462 PolarHBondContact O-N 3.48Å
459	G	89.6	Confident	91.4	Very high	7 Å²	7	6 Å²	6	7%	0.072	3%	0.033	C	C	.	.	H	α-helix	trans	-63.7	-31.6	175.2	0	0	0	0	0	113.5	L139 V457	L139-G459 CarbonylContact O-C 3.57Å; L139-G459 WeakPolarHBondContact O-CA 3.44Å; V457-G459 PolarHBondContact O-N 2.89Å; V457-G459 VanDerWaalsContact O-N 3.12Å
460	E	91.4	Very high	91.1	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-87.9	-25.5	173.9	63.3	153.8	-155.5	0	0	113	L139 D140 K404 A426 P427 G428 V457 F458 R463	L139-E460 HydrophobicContact CB-CB 4.49Å; L139-E460 PolarHBondContact O-N 2.77Å; D140-E460 HydrophobicContact CB-CB 4.24Å; D140-E460 HydrophobicContact CB-CG 4.38Å; K404-E460 WeakPolarHBondContact CD-OE1 3.49Å; A426-E460 HydrophobicContact CB-CB 3.88Å; A426-E460 HydrophobicContact CB-CG 4.22Å; A426-E460 WeakPolarHBondContact CB-O 3.46Å; P427-E460 WeakPolarHBondContact CD-OE2 3.03Å; G428-E460 VanDerWaalsContact CA-OE1 3.26Å; G428-E460 WeakPolarHBondContact CA-OE1 3.44Å; G428-E460 PolarHBondContact N-OE1 3.09Å; V457-E460 HydrophobicContact CB-CG 4.4Å; V457-E460 WeakPolarHBondContact O-CG 3.26Å; V457-E460 PolarHBondContact O-N 2.72Å; V457-E460 VanDerWaalsContact O-N 3.15Å; F458-E460 VanDerWaalsContact C-N 3.28Å; F458-E460 PolarHBondContact O-N 3.11Å; E460-R463 WeakPolarHBondContact O-CD 3.33Å; E460-R463 WeakPolarHBondContact O-CG 3.49Å; E460-R463 VanDerWaalsContact O-CZ 3.25Å; E460-R463 PolarHBondContact O-NE 2.97Å
461	V	92.8	Very high	90.8	Very high	3 Å²	3	6.9 Å²	6.9	2%	0.018	4%	0.038	C	C	.	.	H	α-helix	trans	-69.3	-51	176.4	178.8	0	0	0	0	109.5	I113 F429 L432 I456 V457 F458 R463	I113-V461 HydrophobicContact CB-CG1 4.41Å; I113-V461 HydrophobicContact CD1-CG1 3.85Å; I113-V461 HydrophobicContact CG2-CG1 4.16Å; F429-V461 HydrophobicContact CD2-CG1 4.06Å; L432-V461 HydrophobicContact CD2-CG1 4.01Å; I456-V461 HydrophobicContact CG2-CG2 3.94Å; V457-V461 PolarHBondContact O-N 3.09Å; F458-V461 PolarHBondContact O-N 3.13Å; V461-R463 PolarHBondContact O-N 3.26Å; V461-R463 PolarHBondContact O-NE 3.43Å; V461-R463 PolarHBondContact O-NH2 3.45Å
462	D	87.2	Confident	90.5	Very high	9 Å²	9	7.1 Å²	7.1	5%	0.048	4%	0.039	C	C	.	.			trans	-96.5	82.3	-176	-68.4	-15	0	0	0	111.2	I113 G114 L115 L116 H117 F458	I113-D462 WeakPolarHBondContact CB-OD1 3.45Å; G114-D462 VanDerWaalsContact CA-CG 3.45Å; G114-D462 WeakPolarHBondContact CA-OD1 3.12Å; G114-D462 VanDerWaalsContact CA-OD2 3.24Å; G114-D462 WeakPolarHBondContact CA-OD2 3.33Å; G114-D462 PolarHBondContact N-OD1 3.48Å; G114-D462 PolarHBondContact N-OD2 2.97Å; L115-D462 PolarHBondContact N-OD2 3.35Å; L116-D462 HydrophobicContact CB-CB 4.17Å; L116-D462 PolarHBondContact N-OD2 2.88Å; H117-D462 HydrophobicContact CB-CB 4.23Å; F458-D462 WeakPolarHBondContact O-CB 3.41Å; F458-D462 PolarHBondContact O-N 3.48Å
463	R	82.3	Confident	90.4	Very high	28 Å²	28	7.4 Å²	7.4	11%	0.106	4%	0.039	C	C	.	.			trans	-91.7	0	-176.9	-73.5	146.2	-71	-178.2	-7.7	112.9	H117 G119 T120 E121 L139 I424 A426 E460 V461	H117-R463 PolarHBondContact CE1-O 2.82Å; H117-R463 VanDerWaalsContact ND1-C 3.27Å; H117-R463 PolarHBondContact ND1-O 3.37Å; G119-R463 PolarHBondContact N-OXT 3.13Å; T120-R463 WeakPolarHBondContact CB-OXT 3.47Å; T120-R463 PolarHBondContact N-OXT 2.96Å; T120-R463 VanDerWaalsContact OG1-C 3.32Å; T120-R463 PolarHBondContact OG1-OXT 3.27Å; E121-R463 HydrophobicContact CG-CB 4.43Å; L139-R463 HydrophobicContact CD2-CG 4.01Å; I424-R463 PolarHBondContact O-NH1 3.2Å; A426-R463 VanDerWaalsContact N-NH1 3.16Å; E460-R463 WeakPolarHBondContact O-CD 3.33Å; E460-R463 WeakPolarHBondContact O-CG 3.49Å; E460-R463 VanDerWaalsContact O-CZ 3.25Å; E460-R463 PolarHBondContact O-NE 2.97Å; V461-R463 PolarHBondContact O-N 3.26Å; V461-R463 PolarHBondContact O-NE 3.43Å; V461-R463 PolarHBondContact O-NH2 3.45Å

Retrieved 463 of 463 residues in 1836.7 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).