A0A096NQK6_PAPAN Loading...

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

AlphaFold DB (A0A2K5ZLM0), UniProt , Accession A0A096NQK6, Species PAPAN (Papio anubis, Olive baboon), Gene NDUFS2, Length 463 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	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 2821.3 ms (Link to these results)

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