A0A096MVZ8_PAPAN Loading...

Palmitoyltransferase

AlphaFold DB (Q8IUH5), UniProt , Accession A0A096MVZ8, Species PAPAN (Papio anubis, Olive baboon), Gene ZDHHC17, Length 632 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	27.8	Very low	230 Å²	230	162.6 Å²	162.6	100%	1.133	80%	0.8	S	S	*	*				0	128.3	0	-102.2	-179.8	176.3	0	0	106.9
2	Q	31.7	Very low	27.9	Very low	174 Å²	174	156.1 Å²	156.1	81%	0.813	79%	0.791	S	S	*	*			trans	65.6	141.5	161.6	-71.6	-177.6	-5.6	0	0	115.7
3	R	25.7	Very low	28	Very low	185 Å²	185	156.7 Å²	156.7	70%	0.698	80%	0.798	S	S	*	*			cis	178.4	168.9	-9.4	-139.1	169.5	173.6	-140.5	9.4	103.7
4	E	29.1	Very low	27.8	Very low	132 Å²	132	150.1 Å²	150.1	62%	0.617	79%	0.788	S	S	*	*			trans	76.7	139	149.1	-71.3	160.4	-158.7	0	0	117.2
5	E	26.8	Very low	28.2	Very low	170 Å²	170	148.7 Å²	148.7	79%	0.794	79%	0.792	S	S	*	*			cis	-179.4	146.9	-18.5	-121.4	170.2	-158.8	0	0	105.6
6	G	25.8	Very low	28.3	Very low	65 Å²	65	148.4 Å²	148.4	67%	0.67	79%	0.79	S	S	*	*			trans	73.8	112.4	143.1	0	0	0	0	0	120
7	F	29.4	Very low	28.2	Very low	201 Å²	201	151.2 Å²	151.2	88%	0.882	80%	0.798	S	S	*	*				161.6	98.8	105.2	-103.2	-97.1	0	0	0	108.1
8	N	24.9	Very low	28.4	Very low	129 Å²	129	154.6 Å²	154.6	69%	0.69	80%	0.8	S	S	*	*				85	122.9	78	-153.8	14.3	0	0	0	114.7
9	T	25.3	Very low	28.5	Very low	113 Å²	113	154.4 Å²	154.4	69%	0.693	80%	0.8	S	S	*	*			trans	73.5	131.4	165.8	77.2	0	0	0	0	116.5
10	K	28.6	Very low	28.4	Very low	197 Å²	197	153.7 Å²	153.7	86%	0.857	80%	0.803	S	S	*	*			cis	-146.9	141.3	23.9	-70.9	174	167.9	175.4	0	110.4
11	M	22.7	Very low	28.3	Very low	193 Å²	193	155.2 Å²	155.2	95%	0.951	81%	0.806	S	S	*	*			trans	-77.4	133.2	152	-67.6	-164.2	-168	0	0	108.4
12	A	29	Very low	27.9	Very low	84 Å²	84	148.9 Å²	148.9	69%	0.694	79%	0.79	S	S	*	*			trans	-170.8	111.1	144.7	0	0	0	0	0	108.6
13	D	29	Very low	27.8	Very low	164 Å²	164	144.1 Å²	144.1	88%	0.877	79%	0.788	S	S	*	*			trans	71.5	121	143.5	-52.9	-28.1	0	0	0	121.7
14	G	24.9	Very low	27.9	Very low	65 Å²	65	141.2 Å²	141.2	67%	0.67	80%	0.795	S	S	*	*			trans	-79	-164.2	165.1	0	0	0	0	0	112.7
15	P	34.1	Very low	28.1	Very low	129 Å²	129	140.6 Å²	140.6	84%	0.838	80%	0.799	S	S	*	*			trans	-93.7	129	-130.9	34.3	-32.6	0	0	0	113.5
16	D	29.6	Very low	28.2	Very low	144 Å²	144	137.5 Å²	137.5	77%	0.77	79%	0.794	S	S	*	*			trans	-89.9	116.3	161	-77.5	-30.2	0	0	0	109.4	Y18	D16-Y18 HydrophobicContact CB-CD2 4.4Å; D16-Y18 HydrophobicContact CB-CE2 4.42Å; D16-Y18 PolarHBondContact O-N 3.16Å; D16-Y18 VanDerWaalsContact O-N 3.17Å
17	E	25.9	Very low	28.4	Very low	195 Å²	195	142.4 Å²	142.4	91%	0.911	80%	0.804	S	S	*	*			trans	-56.7	107.4	162.8	-71.5	173.4	149.4	0	0	108.9
18	Y	32.6	Very low	28.4	Very low	213 Å²	213	139.3 Å²	139.3	84%	0.835	80%	0.796	S	S	*	*			trans	-94.9	112.1	166.7	-98.5	-92.3	0	0	0	109.4	D16 T20	D16-Y18 HydrophobicContact CB-CD2 4.4Å; D16-Y18 HydrophobicContact CB-CE2 4.42Å; D16-Y18 PolarHBondContact O-N 3.16Å; D16-Y18 VanDerWaalsContact O-N 3.17Å; Y18-T20 PolarHBondContact O-N 3.07Å
19	D	29.5	Very low	28.4	Very low	150 Å²	150	140.2 Å²	140.2	80%	0.802	80%	0.795	S	S	*	*			trans	-42.7	126.8	171.4	-91.2	-47.9	0	0	0	112.9	E21	D19-E21 VanDerWaalsContact C-N 3.28Å; D19-E21 PolarHBondContact O-N 3.34Å
20	T	27.6	Very low	28.7	Very low	140 Å²	140	138.7 Å²	138.7	86%	0.859	79%	0.788	S	S	*	*			trans	-72.7	76.6	167	43	0	0	0	0	110.6	Y18	Y18-T20 PolarHBondContact O-N 3.07Å
21	E	27.1	Very low	28.8	Very low	187 Å²	187	138.1 Å²	138.1	87%	0.874	79%	0.788	S	S	*	*			trans	-104.3	76.8	160.3	-75.9	-165.3	160.2	0	0	109.8	D19	D19-E21 VanDerWaalsContact C-N 3.28Å; D19-E21 PolarHBondContact O-N 3.34Å
22	A	27.3	Very low	29.1	Very low	96 Å²	96	136.3 Å²	136.3	79%	0.793	78%	0.777	S	S	*	*			trans	-128.3	59.3	168.7	0	0	0	0	0	109.9
23	G	29.8	Very low	29.2	Very low	74 Å²	74	138.5 Å²	138.5	76%	0.763	78%	0.776	S	S	*	*			trans	-103	67.5	165.6	0	0	0	0	0	110	V25	G23-V25 PolarHBondContact O-N 2.52Å
24	C	26	Very low	29	Very low	125 Å²	125	139.5 Å²	139.5	85%	0.845	77%	0.772	S	S	*	*			trans	-70.1	96.7	175.8	-72.5	0	0	0	0	110.4
25	V	34.2	Very low	29.3	Very low	119 Å²	119	142.1 Å²	142.1	72%	0.721	78%	0.778	S	S	*	*			trans	-89.2	120.6	151	-178.5	0	0	0	0	106.5	G23 L27	G23-V25 PolarHBondContact O-N 2.52Å; V25-L27 PolarHBondContact O-N 2.96Å; V25-L27 VanDerWaalsContact O-N 3.09Å
26	P	29.5	Very low	29.1	Very low	104 Å²	104	145.1 Å²	145.1	68%	0.675	78%	0.78	S	S	*	*			trans	-60.6	117.4	177.1	-20	31.2	0	0	0	110.1	L28	P26-L28 PolarHBondContact O-N 2.89Å
27	L	29.2	Very low	29	Very low	169 Å²	169	142.5 Å²	142.5	89%	0.885	77%	0.774	S	S	*	*			trans	-64.6	79.7	166.1	-76.2	161.6	0	0	0	108.8	V25 H29	V25-L27 PolarHBondContact O-N 2.96Å; V25-L27 VanDerWaalsContact O-N 3.09Å; L27-H29 PolarHBondContact O-N 2.98Å
28	L	28.9	Very low	29	Very low	135 Å²	135	141.9 Å²	141.9	71%	0.707	77%	0.77	S	S	*	*			trans	-71.9	109.3	165.6	-76.8	167.7	0	0	0	107.9	P26	P26-L28 PolarHBondContact O-N 2.89Å
29	H	25.6	Very low	28.7	Very low	148 Å²	148	141.9 Å²	141.9	69%	0.685	77%	0.77	S	S	*	*			trans	-60.5	142.5	-179.9	-121	-90.4	0	0	0	110.4	L27 E31 E32	L27-H29 PolarHBondContact O-N 2.98Å; H29-E31 PolarHBondContact O-N 3.07Å; H29-E32 PolarHBondContact O-N 3.18Å
30	P	32	Very low	28.6	Very low	81 Å²	81	142.1 Å²	142.1	53%	0.526	77%	0.771	S	S	.	*	G	3₁₀ helix	trans	-59.7	-11	-172.5	-25.5	33.3	0	0	0	117	E32	P30-E32 VanDerWaalsContact C-N 3.33Å; P30-E32 PolarHBondContact O-N 3.34Å
31	E	29.9	Very low	28.9	Very low	185 Å²	185	143.8 Å²	143.8	86%	0.864	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-82.7	-4.4	-176.4	-67.7	-167.6	163.2	0	0	114.3	H29	H29-E31 PolarHBondContact O-N 3.07Å
32	E	28.3	Very low	29	Very low	156 Å²	156	138.4 Å²	138.4	73%	0.729	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-92.6	7.7	174.4	-68.2	-169.5	165.7	0	0	114.5	H29 P30 K34	H29-E32 PolarHBondContact O-N 3.18Å; P30-E32 VanDerWaalsContact C-N 3.33Å; P30-E32 PolarHBondContact O-N 3.34Å; E32-K34 VanDerWaalsContact C-N 3.26Å; E32-K34 PolarHBondContact O-N 3.11Å
33	I	31.2	Very low	29	Very low	129 Å²	129	145.3 Å²	145.3	66%	0.662	77%	0.771	S	S	*	*			trans	-76	77.4	173.9	-51.5	172.6	0	0	0	109.5
34	K	25.8	Very low	28.9	Very low	185 Å²	185	145.3 Å²	145.3	80%	0.804	77%	0.772	S	S	*	*			trans	-84.6	121.6	160.6	-77.6	-174.9	-179.8	174.7	0	108.8	E32 Q36	E32-K34 VanDerWaalsContact C-N 3.26Å; E32-K34 PolarHBondContact O-N 3.11Å; K34-Q36 PolarHBondContact O-N 3.42Å
35	P	30.2	Very low	29.1	Very low	120 Å²	120	148 Å²	148	78%	0.779	77%	0.772	S	S	*	*			trans	-62.6	120.3	176.9	24.2	-31.4	0	0	0	109.3	S37	P35-S37 PolarHBondContact O-N 3.2Å; P35-S37 VanDerWaalsContact O-N 3.11Å
36	Q	30.9	Very low	29.2	Very low	192 Å²	192	148.6 Å²	148.6	90%	0.897	78%	0.778	S	S	*	*			trans	-61.6	114.2	175.5	-77.6	177.9	-14.3	0	0	109.1	K34 H38	K34-Q36 PolarHBondContact O-N 3.42Å; Q36-H38 PolarHBondContact O-N 3.08Å
37	S	26.5	Very low	29.8	Very low	90 Å²	90	151.7 Å²	151.7	63%	0.629	79%	0.788	S	S	*	*			trans	-68.6	124.9	173.6	54.5	0	0	0	0	109.6	P35 Y39	P35-S37 PolarHBondContact O-N 3.2Å; P35-S37 VanDerWaalsContact O-N 3.11Å; S37-Y39 PolarHBondContact O-N 3.14Å
38	H	26.3	Very low	30	Very low	182 Å²	182	146.8 Å²	146.8	84%	0.843	78%	0.779	S	S	*	*			trans	-51	110.6	167.7	-75.2	-80.4	0	0	0	110.2	Q36 N40	Q36-H38 PolarHBondContact O-N 3.08Å; H38-N40 VanDerWaalsContact C-N 3.34Å; H38-N40 PolarHBondContact O-N 3.27Å
39	Y	27.9	Very low	30.4	Very low	213 Å²	213	151.8 Å²	151.8	84%	0.835	79%	0.788	S	S	*	*			trans	-67.8	94	168.4	-90.1	-90.3	0	0	0	108.6	S37 H41	S37-Y39 PolarHBondContact O-N 3.14Å; Y39-H41 PolarHBondContact O-N 3.18Å
40	N	26	Very low	31.1	Very low	154 Å²	154	154 Å²	154	82%	0.824	80%	0.796	S	S	*	*			trans	-72.4	110.6	163.5	-97	-18.7	0	0	0	108.1	H38 G42	H38-N40 VanDerWaalsContact C-N 3.34Å; H38-N40 PolarHBondContact O-N 3.27Å; N40-G42 PolarHBondContact O-N 3.07Å; N40-G42 VanDerWaalsContact O-N 3.14Å
41	H	34.1	Very low	31.9	Very low	175 Å²	175	155.8 Å²	155.8	81%	0.81	81%	0.805	S	S	*	*			trans	-64.3	111.2	163.7	-83.1	-78.4	0	0	0	109	Y39	Y39-H41 PolarHBondContact O-N 3.18Å
42	G	29.2	Very low	33	Very low	75 Å²	75	154.2 Å²	154.2	77%	0.773	80%	0.798	S	S	*	*			trans	-64.5	134.5	172.3	0	0	0	0	0	111.3	N40	N40-G42 PolarHBondContact O-N 3.07Å; N40-G42 VanDerWaalsContact O-N 3.14Å
43	Y	27.3	Very low	34.6	Very low	240 Å²	240	153.9 Å²	153.9	94%	0.941	80%	0.799	S	S	*	*			trans	-70.7	139.6	171.2	-80.7	-101.8	0	0	0	111.4
44	G	28.2	Very low	36.9	Very low	75 Å²	75	151.4 Å²	151.4	77%	0.773	79%	0.788	S	S	*	*			trans	113.3	100.9	136.4	0	0	0	0	0	117.4
45	E	29.7	Very low	39.8	Very low	182 Å²	182	147.5 Å²	147.5	85%	0.85	78%	0.776	S	S	*	*			trans	-154.4	141	130.8	-118.8	-178.3	175	0	0	110	L47	E45-L47 PolarHBondContact O-N 3.48Å
46	P	37.1	Very low	42.7	Very low	130 Å²	130	145.2 Å²	145.2	84%	0.844	75%	0.752	S	S	*	*			trans	-90.5	98.5	-167.4	33.6	-27.6	0	0	0	110.8
47	L	40.6	Very low	45.6	Very low	169 Å²	169	139 Å²	139	89%	0.885	73%	0.73	S	S	*	*			trans	-84.5	118.4	175.2	-81.1	159.2	0	0	0	110.9	E45	E45-L47 PolarHBondContact O-N 3.48Å
48	G	34.6	Very low	48.8	Very low	67 Å²	67	140.1 Å²	140.1	69%	0.691	73%	0.733	S	S	*	*			trans	-49.9	138.1	174.2	0	0	0	0	0	111.9	K50	G48-K50 PolarHBondContact O-N 2.79Å
49	R	37	Very low	52.1	Low	239 Å²	239	133.7 Å²	133.7	90%	0.902	70%	0.701	S	S	*	*			trans	-61.7	77.7	-179.7	-171.5	-172.4	-68.3	166.3	-2.7	111.1	T51	R49-T51 HydrophobicContact CG-CG2 4.38Å
50	K	41.4	Very low	55.4	Low	195 Å²	195	128 Å²	128	85%	0.848	69%	0.685	S	S	*	*			trans	-90.2	108.8	148.8	-74.1	-175	174.8	179.3	0	105.2	G48 H52	G48-K50 PolarHBondContact O-N 2.79Å; K50-H52 PolarHBondContact O-N 2.84Å
51	T	48.6	Very low	58.8	Low	119 Å²	119	121 Å²	121	73%	0.73	65%	0.647	S	S	*	*			trans	-64.7	80.9	169.3	46	0	0	0	0	107.8	R49 I53	R49-T51 HydrophobicContact CG-CG2 4.38Å; T51-I53 VanDerWaalsContact C-N 3.31Å; T51-I53 PolarHBondContact O-N 3.46Å
52	H	53.3	Low	61.8	Low	151 Å²	151	113.9 Å²	113.9	70%	0.699	62%	0.617	S	S	*	*			trans	-65.9	101.6	161.3	-167.3	-95.3	0	0	0	104.8	K50 D54	K50-H52 PolarHBondContact O-N 2.84Å; H52-D54 VanDerWaalsContact C-N 3.25Å; H52-D54 IonicContact CE1-OD1 3.78Å; H52-D54 PolarHBondContact CE1-OD1 3.44Å; H52-D54 IonicContact CG-OD1 3.88Å; H52-D54 IonicContact ND1-OD1 3.86Å; H52-D54 PolarHBondContact ND1-OD1 3.32Å; H52-D54 PolarHBondContact O-N 2.94Å
53	I	61.6	Low	65	Low	150 Å²	150	114 Å²	114	77%	0.769	60%	0.595	S	S	*	*			trans	-68	99.6	165.3	-62.6	172.2	0	0	0	103.5	T51 D55	T51-I53 VanDerWaalsContact C-N 3.31Å; T51-I53 PolarHBondContact O-N 3.46Å; I53-D55 PolarHBondContact O-N 2.98Å; I53-D55 VanDerWaalsContact O-N 3.14Å
54	D	78.5	Confident	68.4	Low	77 Å²	77	102.5 Å²	102.5	41%	0.412	55%	0.551	S	S	.	*			trans	-60	117.6	172.2	-72.5	-23.5	0	0	0	107.9	H52 Y56	H52-D54 VanDerWaalsContact C-N 3.25Å; H52-D54 IonicContact CE1-OD1 3.78Å; H52-D54 PolarHBondContact CE1-OD1 3.44Å; H52-D54 IonicContact CG-OD1 3.88Å; H52-D54 IonicContact ND1-OD1 3.86Å; H52-D54 PolarHBondContact ND1-OD1 3.32Å; H52-D54 PolarHBondContact O-N 2.94Å; D54-Y56 HydrophobicContact CB-CD1 4.21Å; D54-Y56 HydrophobicContact CB-CE1 3.43Å; D54-Y56 VanDerWaalsContact CB-CE1 3.43Å; D54-Y56 HydrophobicContact CB-CE2 3.84Å; D54-Y56 WeakPolarHBondContact CB-OH 3.36Å; D54-Y56 WeakPolarHBondContact O-CD2 3.22Å; D54-Y56 WeakPolarHBondContact O-CE2 3.23Å; D54-Y56 PolarHBondContact O-N 3.13Å; D54-Y56 PolarHBondContact OD2-OH 3.33Å
55	D	88	Confident	71.7	Confident	103 Å²	103	99 Å²	99	55%	0.551	51%	0.514	S	S	*	.			trans	-76.7	102.5	175.6	-180	14.3	0	0	0	109.8	I53 S57	I53-D55 PolarHBondContact O-N 2.98Å; I53-D55 VanDerWaalsContact O-N 3.14Å; D55-S57 VanDerWaalsContact CG-OG 3.27Å; D55-S57 WeakPolarHBondContact OD1-CB 3.33Å; D55-S57 PolarHBondContact OD1-N 2.71Å; D55-S57 PolarHBondContact OD1-OG 2.79Å; D55-S57 PolarHBondContact OD2-OG 2.89Å
56	Y	91.1	Very high	74.9	Confident	72 Å²	72	92.6 Å²	92.6	28%	0.282	48%	0.484	S	S	.	.			trans	-91.8	3.2	175.6	-50	-63.2	0	0	0	112.9	D54 T58 W59 I69 R72	D54-Y56 HydrophobicContact CB-CD1 4.21Å; D54-Y56 HydrophobicContact CB-CE1 3.43Å; D54-Y56 VanDerWaalsContact CB-CE1 3.43Å; D54-Y56 HydrophobicContact CB-CE2 3.84Å; D54-Y56 WeakPolarHBondContact CB-OH 3.36Å; D54-Y56 WeakPolarHBondContact O-CD2 3.22Å; D54-Y56 WeakPolarHBondContact O-CE2 3.23Å; D54-Y56 PolarHBondContact O-N 3.13Å; D54-Y56 PolarHBondContact OD2-OH 3.33Å; Y56-T58 PolarHBondContact O-N 2.97Å; Y56-T58 VanDerWaalsContact O-N 3.16Å; Y56-W59 HydrophobicContact CD1-CD2 4.03Å; Y56-W59 AromaticContact CD1-CE2 3.85Å; Y56-W59 HydrophobicContact CD1-CE3 4.11Å; Y56-W59 AromaticContact CD1-CH2 3.9Å; Y56-W59 HydrophobicContact CD1-CH2 3.9Å; Y56-W59 AromaticContact CD1-CZ2 3.8Å; Y56-W59 HydrophobicContact CD1-CZ2 3.8Å; Y56-W59 HydrophobicContact CD1-CZ3 4.04Å; Y56-W59 AromaticContact CE1-CH2 3.93Å; Y56-W59 HydrophobicContact CE1-CH2 3.93Å; Y56-W59 HydrophobicContact CE1-CZ2 4.05Å; Y56-W59 HydrophobicContact CE1-CZ3 4.32Å; Y56-W59 WeakPolarHBondContact O-CB 3.38Å; Y56-W59 PolarHBondContact O-N 3.4Å; Y56-I69 HydrophobicContact CD1-CD1 4.08Å; Y56-I69 HydrophobicContact CD1-CG1 4.08Å; Y56-I69 HydrophobicContact CD2-CD1 4.05Å; Y56-I69 HydrophobicContact CD2-CG1 4.26Å; Y56-I69 HydrophobicContact CD2-CG2 3.53Å; Y56-I69 HydrophobicContact CE1-CD1 3.85Å; Y56-I69 HydrophobicContact CE1-CG1 4.35Å; Y56-I69 HydrophobicContact CE2-CD1 3.79Å; Y56-I69 HydrophobicContact CE2-CG1 4.49Å; Y56-I69 HydrophobicContact CE2-CG2 4.22Å; Y56-I69 HydrophobicContact CG-CD1 4.18Å; Y56-I69 HydrophobicContact CG-CG1 4.04Å; Y56-I69 HydrophobicContact CG-CG2 3.75Å; Y56-R72 PolarHBondContact O-NE 3.22Å
57	S	90.8	Very high	77.8	Confident	62 Å²	62	92.8 Å²	92.8	43%	0.434	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.6	-175.3	68.8	0	0	0	0	113.5	D55 R72	D55-S57 VanDerWaalsContact CG-OG 3.27Å; D55-S57 WeakPolarHBondContact OD1-CB 3.33Å; D55-S57 PolarHBondContact OD1-N 2.71Å; D55-S57 PolarHBondContact OD1-OG 2.79Å; D55-S57 PolarHBondContact OD2-OG 2.89Å; S57-R72 PolarHBondContact O-NH1 2.86Å; S57-R72 PolarHBondContact O-NH2 3.5Å
58	T	93.8	Very high	80.5	Confident	113 Å²	113	86 Å²	86	69%	0.693	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-8.6	178.3	57.9	0	0	0	0	113.7	Y56	Y56-T58 PolarHBondContact O-N 2.97Å; Y56-T58 VanDerWaalsContact O-N 3.16Å
59	W	96.3	Very high	83.5	Confident	47 Å²	47	84.2 Å²	84.2	18%	0.178	41%	0.414	C	S	.	.			trans	-77.3	136.1	-177.2	-67.7	22.7	0	0	0	109.9	Y56 K63 Y67 I69 R72	Y56-W59 HydrophobicContact CD1-CD2 4.03Å; Y56-W59 AromaticContact CD1-CE2 3.85Å; Y56-W59 HydrophobicContact CD1-CE3 4.11Å; Y56-W59 AromaticContact CD1-CH2 3.9Å; Y56-W59 HydrophobicContact CD1-CH2 3.9Å; Y56-W59 AromaticContact CD1-CZ2 3.8Å; Y56-W59 HydrophobicContact CD1-CZ2 3.8Å; Y56-W59 HydrophobicContact CD1-CZ3 4.04Å; Y56-W59 AromaticContact CE1-CH2 3.93Å; Y56-W59 HydrophobicContact CE1-CH2 3.93Å; Y56-W59 HydrophobicContact CE1-CZ2 4.05Å; Y56-W59 HydrophobicContact CE1-CZ3 4.32Å; Y56-W59 WeakPolarHBondContact O-CB 3.38Å; Y56-W59 PolarHBondContact O-N 3.4Å; W59-K63 HydrophobicContact CB-CD 4.36Å; W59-K63 HydrophobicContact CD2-CD 3.7Å; W59-K63 HydrophobicContact CD2-CG 4.08Å; W59-K63 HydrophobicContact CE3-CB 4.47Å; W59-K63 HydrophobicContact CE3-CD 3.85Å; W59-K63 HydrophobicContact CE3-CG 3.69Å; W59-K63 HydrophobicContact CG-CD 3.93Å; W59-K63 HydrophobicContact CZ3-CD 4.42Å; W59-K63 HydrophobicContact CZ3-CG 4.16Å; W59-Y67 HydrophobicContact CH2-CD1 4.18Å; W59-Y67 HydrophobicContact CH2-CD2 4.37Å; W59-Y67 HydrophobicContact CH2-CG 4.08Å; W59-Y67 HydrophobicContact CZ3-CD1 4.12Å; W59-Y67 AromaticContact CZ3-CD2 3.76Å; W59-Y67 HydrophobicContact CZ3-CD2 3.76Å; W59-Y67 HydrophobicContact CZ3-CE2 4.45Å; W59-Y67 AromaticContact CZ3-CG 3.57Å; W59-Y67 HydrophobicContact CZ3-CG 3.57Å; W59-I69 HydrophobicContact CE3-CG1 4.27Å; W59-I69 HydrophobicContact CZ3-CG1 4.16Å; W59-R72 PolarHBondContact O-NE 2.91Å; W59-R72 PolarHBondContact O-NH2 3.32Å; W59-R72 VanDerWaalsContact O-NH2 3.07Å
60	D	96.1	Very high	86.4	Confident	92 Å²	92	76.8 Å²	76.8	49%	0.492	39%	0.387	S	S	.	.			trans	-67.1	165.2	167.6	67.7	57.8	0	0	0	110.9	V62 K63 A64	D60-V62 VanDerWaalsContact C-N 3.3Å; D60-V62 PolarHBondContact O-N 3.37Å; D60-V62 WeakPolarHBondContact OD1-CA 3.39Å; D60-V62 PolarHBondContact OD1-N 3.36Å; D60-K63 PolarHBondContact OD1-N 2.91Å; D60-A64 VanDerWaalsContact O-CB 3.26Å; D60-A64 WeakPolarHBondContact O-CB 3.45Å; D60-A64 PolarHBondContact O-N 3.47Å
61	I	96.9	Very high	89	Confident	7 Å²	7	71.9 Å²	71.9	4%	0.036	37%	0.367	C	S	.	.	H	α-helix	trans	-67.3	-28.9	-174.3	-168.9	158.7	0	0	0	113.1	T65 L76 V77 Y81 L93	I61-T65 VanDerWaalsContact O-CB 3.22Å; I61-T65 WeakPolarHBondContact O-CB 3.36Å; I61-T65 PolarHBondContact O-N 3.31Å; I61-T65 PolarHBondContact O-OG1 3.05Å; I61-L76 HydrophobicContact CB-CB 4.49Å; I61-L76 HydrophobicContact CB-CD1 3.67Å; I61-L76 HydrophobicContact CD1-CB 3.99Å; I61-L76 HydrophobicContact CG1-CD1 4.34Å; I61-V77 HydrophobicContact CD1-CG2 3.61Å; I61-Y81 HydrophobicContact CD1-CD1 3.75Å; I61-Y81 HydrophobicContact CD1-CE1 4.23Å; I61-Y81 HydrophobicContact CD1-CG 3.95Å; I61-Y81 HydrophobicContact CG2-CD1 4.27Å; I61-Y81 HydrophobicContact CG2-CD2 3.9Å; I61-Y81 HydrophobicContact CG2-CE1 3.86Å; I61-Y81 HydrophobicContact CG2-CE2 3.45Å; I61-Y81 VanDerWaalsContact CG2-CE2 3.45Å; I61-Y81 HydrophobicContact CG2-CG 4.29Å; I61-Y81 VanDerWaalsContact CG2-CZ 3.43Å; I61-L93 HydrophobicContact CB-CD2 4.49Å; I61-L93 HydrophobicContact CD1-CD1 3.47Å; I61-L93 VanDerWaalsContact CD1-CD1 3.47Å; I61-L93 HydrophobicContact CG1-CD1 3.77Å; I61-L93 HydrophobicContact CG1-CD2 3.99Å; I61-L93 HydrophobicContact CG2-CD2 3.95Å
62	V	97.2	Very high	91.4	Very high	27 Å²	27	68.4 Å²	68.4	16%	0.164	34%	0.34	C	S	.	.	H	α-helix	trans	-71.1	-50	-179.8	173.5	0	0	0	0	109.3	D60 A64 T65 Q66 D87 L93 W96	D60-V62 VanDerWaalsContact C-N 3.3Å; D60-V62 PolarHBondContact O-N 3.37Å; D60-V62 WeakPolarHBondContact OD1-CA 3.39Å; D60-V62 PolarHBondContact OD1-N 3.36Å; V62-A64 PolarHBondContact O-N 2.89Å; V62-T65 WeakPolarHBondContact O-CB 3.47Å; V62-T65 PolarHBondContact O-N 3.42Å; V62-T65 VanDerWaalsContact O-N 3.14Å; V62-Q66 WeakPolarHBondContact O-CG 3.49Å; V62-Q66 PolarHBondContact O-N 3.12Å; V62-D87 HydrophobicContact CG2-CB 4.46Å; V62-L93 HydrophobicContact CG2-CD2 4.14Å; V62-W96 HydrophobicContact CG1-CD2 4.2Å; V62-W96 HydrophobicContact CG1-CG 4.12Å
63	K	97	Very high	93.5	Very high	76 Å²	76	61.2 Å²	61.2	33%	0.33	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-46.2	174.6	-171	-175.3	177.9	-172	0	110.9	W59 D60 T65 Q66 Y67	W59-K63 HydrophobicContact CB-CD 4.36Å; W59-K63 HydrophobicContact CD2-CD 3.7Å; W59-K63 HydrophobicContact CD2-CG 4.08Å; W59-K63 HydrophobicContact CE3-CB 4.47Å; W59-K63 HydrophobicContact CE3-CD 3.85Å; W59-K63 HydrophobicContact CE3-CG 3.69Å; W59-K63 HydrophobicContact CG-CD 3.93Å; W59-K63 HydrophobicContact CZ3-CD 4.42Å; W59-K63 HydrophobicContact CZ3-CG 4.16Å; D60-K63 PolarHBondContact OD1-N 2.91Å; K63-T65 PolarHBondContact O-N 3.47Å; K63-Q66 PolarHBondContact O-N 2.02Å; K63-Y67 HydrophobicContact CG-CD2 4.1Å; K63-Y67 HydrophobicContact CG-CE2 4.17Å; K63-Y67 VanDerWaalsContact O-CD2 3.29Å; K63-Y67 WeakPolarHBondContact O-CD2 3.17Å; K63-Y67 PolarHBondContact O-N 3.01Å; K63-Y67 VanDerWaalsContact O-N 3.14Å
64	A	98.1	Very high	95.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.2	-38.3	175.8	0	0	0	0	0	111.8	D60 V62 G68 I69 R72 C73	D60-A64 VanDerWaalsContact O-CB 3.26Å; D60-A64 WeakPolarHBondContact O-CB 3.45Å; D60-A64 PolarHBondContact O-N 3.47Å; V62-A64 PolarHBondContact O-N 2.89Å; A64-G68 PolarHBondContact O-N 3.48Å; A64-I69 HydrophobicContact CB-CB 4.3Å; A64-I69 PolarHBondContact O-N 3.49Å; A64-R72 HydrophobicContact CB-CB 4.23Å; A64-R72 HydrophobicContact CB-CG 3.78Å; A64-C73 VanDerWaalsContact C-SG 3.51Å; A64-C73 VanDerWaalsContact CB-SG 3.59Å
65	T	98.4	Very high	96.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.6	-52	176	-63.2	0	0	0	0	111.8	I61 V62 K63 Y67 G68 W96 A97 R102 L105 Y109	I61-T65 VanDerWaalsContact O-CB 3.22Å; I61-T65 WeakPolarHBondContact O-CB 3.36Å; I61-T65 PolarHBondContact O-N 3.31Å; I61-T65 PolarHBondContact O-OG1 3.05Å; V62-T65 WeakPolarHBondContact O-CB 3.47Å; V62-T65 PolarHBondContact O-N 3.42Å; V62-T65 VanDerWaalsContact O-N 3.14Å; K63-T65 PolarHBondContact O-N 3.47Å; T65-Y67 PolarHBondContact O-N 2.86Å; T65-G68 PolarHBondContact O-N 3.43Å; T65-W96 HydrophobicContact CG2-CB 3.78Å; T65-A97 HydrophobicContact CG2-CB 3.84Å; T65-R102 WeakPolarHBondContact O-CG 3.48Å; T65-L105 HydrophobicContact CG2-CD1 4.14Å; T65-Y109 HydrophobicContact CG2-CE2 3.85Å; T65-Y109 PolarHBondContact OG1-OH 3.18Å
66	Q	97.7	Very high	96.7	Very high	48 Å²	48	56.2 Å²	56.2	22%	0.224	27%	0.272	C	S	.	.	H	α-helix	trans	-55.1	-39	-179.2	-71.8	171.3	-14.5	0	0	111.7	V62 K63 W96 N100 R102	V62-Q66 WeakPolarHBondContact O-CG 3.49Å; V62-Q66 PolarHBondContact O-N 3.12Å; K63-Q66 PolarHBondContact O-N 2.02Å; Q66-W96 HydrophobicContact CG-CB 4.34Å; Q66-W96 HydrophobicContact CG-CD2 4.1Å; Q66-W96 HydrophobicContact CG-CE3 3.76Å; Q66-W96 HydrophobicContact CG-CG 4.39Å; Q66-W96 HydrophobicContact CG-CZ3 4.44Å; Q66-N100 WeakPolarHBondContact O-CB 3.47Å; Q66-R102 VanDerWaalsContact O-CZ 3.28Å; Q66-R102 PolarHBondContact O-NE 3.47Å; Q66-R102 PolarHBondContact O-NH2 3Å
67	Y	97.1	Very high	97	Very high	135 Å²	135	53.4 Å²	53.4	53%	0.529	26%	0.262	S	S	.	.	H	α-helix	trans	-88.6	-6.4	179.2	-74.7	-97.4	0	0	0	114.5	W59 K63 T65 R102	W59-Y67 HydrophobicContact CH2-CD1 4.18Å; W59-Y67 HydrophobicContact CH2-CD2 4.37Å; W59-Y67 HydrophobicContact CH2-CG 4.08Å; W59-Y67 HydrophobicContact CZ3-CD1 4.12Å; W59-Y67 AromaticContact CZ3-CD2 3.76Å; W59-Y67 HydrophobicContact CZ3-CD2 3.76Å; W59-Y67 HydrophobicContact CZ3-CE2 4.45Å; W59-Y67 AromaticContact CZ3-CG 3.57Å; W59-Y67 HydrophobicContact CZ3-CG 3.57Å; K63-Y67 HydrophobicContact CG-CD2 4.1Å; K63-Y67 HydrophobicContact CG-CE2 4.17Å; K63-Y67 VanDerWaalsContact O-CD2 3.29Å; K63-Y67 WeakPolarHBondContact O-CD2 3.17Å; K63-Y67 PolarHBondContact O-N 3.01Å; K63-Y67 VanDerWaalsContact O-N 3.14Å; T65-Y67 PolarHBondContact O-N 2.86Å; Y67-R102 VanDerWaalsContact C-CZ 3.48Å; Y67-R102 PolarHBondContact O-NH2 3.1Å
68	G	97.2	Very high	97.3	Very high	26 Å²	26	55.9 Å²	55.9	27%	0.268	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	26.7	175.8	0	0	0	0	0	114.7	A64 T65 Y70	A64-G68 PolarHBondContact O-N 3.48Å; T65-G68 PolarHBondContact O-N 3.43Å; G68-Y70 VanDerWaalsContact C-N 3.28Å; G68-Y70 PolarHBondContact O-N 3.28Å
69	I	97.5	Very high	97.5	Very high	30 Å²	30	54.7 Å²	54.7	15%	0.154	27%	0.268	C	S	.	.			trans	-77	80.6	179.3	-47.4	-53.2	0	0	0	109.2	Y56 W59 A64 E71 R72 C73	Y56-I69 HydrophobicContact CD1-CD1 4.08Å; Y56-I69 HydrophobicContact CD1-CG1 4.08Å; Y56-I69 HydrophobicContact CD2-CD1 4.05Å; Y56-I69 HydrophobicContact CD2-CG1 4.26Å; Y56-I69 HydrophobicContact CD2-CG2 3.53Å; Y56-I69 HydrophobicContact CE1-CD1 3.85Å; Y56-I69 HydrophobicContact CE1-CG1 4.35Å; Y56-I69 HydrophobicContact CE2-CD1 3.79Å; Y56-I69 HydrophobicContact CE2-CG1 4.49Å; Y56-I69 HydrophobicContact CE2-CG2 4.22Å; Y56-I69 HydrophobicContact CG-CD1 4.18Å; Y56-I69 HydrophobicContact CG-CG1 4.04Å; Y56-I69 HydrophobicContact CG-CG2 3.75Å; W59-I69 HydrophobicContact CE3-CG1 4.27Å; W59-I69 HydrophobicContact CZ3-CG1 4.16Å; A64-I69 HydrophobicContact CB-CB 4.3Å; A64-I69 PolarHBondContact O-N 3.49Å; I69-E71 PolarHBondContact O-N 2.99Å; I69-R72 HydrophobicContact CB-CB 4.14Å; I69-R72 HydrophobicContact CG2-CB 3.52Å; I69-R72 PolarHBondContact O-N 3.46Å; I69-C73 PolarHBondContact O-N 3.05Å; I69-C73 PolarHBondContact O-SG 3.47Å
70	Y	97.9	Very high	97.5	Very high	83 Å²	83	55.5 Å²	55.5	33%	0.325	29%	0.291	S	S	.	.	H	α-helix	trans	-54	-50.5	-170.8	-176.9	-89.2	0	0	0	113.3	G68 R72 C73 R74 D104 L105 Y108	G68-Y70 VanDerWaalsContact C-N 3.28Å; G68-Y70 PolarHBondContact O-N 3.28Å; Y70-R72 VanDerWaalsContact C-N 3.35Å; Y70-R72 PolarHBondContact O-N 3.3Å; Y70-C73 PolarHBondContact O-N 3.42Å; Y70-R74 HydrophobicContact CE1-CB 4.49Å; Y70-R74 WeakPolarHBondContact O-CB 3.31Å; Y70-R74 PolarHBondContact O-N 3.45Å; Y70-D104 HydrophobicContact CD2-CB 4.23Å; Y70-D104 HydrophobicContact CE2-CB 4.35Å; Y70-L105 HydrophobicContact CD2-CD2 3.82Å; Y70-L105 HydrophobicContact CD2-CG 4.38Å; Y70-L105 HydrophobicContact CG-CD2 4.46Å; Y70-Y108 HydrophobicContact CE2-CG 4.2Å
71	E	97.2	Very high	97.6	Very high	92 Å²	92	54.2 Å²	54.2	43%	0.43	28%	0.28	S	S	.	.	H	α-helix	trans	-61.5	-42.9	-177	-64.9	-63.9	126.8	0	0	111.6	I69 C73 R74 E75	I69-E71 PolarHBondContact O-N 2.99Å; E71-C73 PolarHBondContact O-N 3.1Å; E71-R74 VanDerWaalsContact CD-NH1 3.27Å; E71-R74 WeakPolarHBondContact O-CB 3.33Å; E71-R74 PolarHBondContact O-N 2.99Å; E71-R74 IonicContact OE1-CZ 3.36Å; E71-R74 IonicContact OE1-NH1 3.44Å; E71-R74 PolarHBondContact OE1-NH1 3.38Å; E71-R74 IonicContact OE2-CZ 2.8Å; E71-R74 IonicContact OE2-NH1 2.68Å; E71-R74 PolarHBondContact OE2-NH1 3.49Å; E71-R74 IonicContact OE2-NH2 3.45Å; E71-R74 PolarHBondContact OE2-NH2 2.83Å; E71-E75 VanDerWaalsContact O-CG 3.31Å; E71-E75 WeakPolarHBondContact O-CG 3.46Å; E71-E75 PolarHBondContact O-N 3.35Å
72	R	97.3	Very high	97.6	Very high	45 Å²	45	58 Å²	58	17%	0.17	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-42.6	176.5	179	57.1	-178.5	162.2	-0.6	112.3	Y56 S57 W59 A64 I69 Y70 R74 E75 L76	Y56-R72 PolarHBondContact O-NE 3.22Å; S57-R72 PolarHBondContact O-NH1 2.86Å; S57-R72 PolarHBondContact O-NH2 3.5Å; W59-R72 PolarHBondContact O-NE 2.91Å; W59-R72 PolarHBondContact O-NH2 3.32Å; W59-R72 VanDerWaalsContact O-NH2 3.07Å; A64-R72 HydrophobicContact CB-CB 4.23Å; A64-R72 HydrophobicContact CB-CG 3.78Å; I69-R72 HydrophobicContact CB-CB 4.14Å; I69-R72 HydrophobicContact CG2-CB 3.52Å; I69-R72 PolarHBondContact O-N 3.46Å; Y70-R72 VanDerWaalsContact C-N 3.35Å; Y70-R72 PolarHBondContact O-N 3.3Å; R72-R74 VanDerWaalsContact C-N 3.35Å; R72-E75 IonicContact NH1-OE2 3.31Å; R72-L76 HydrophobicContact CG-CD1 4.39Å; R72-L76 WeakPolarHBondContact O-CG 3.39Å; R72-L76 PolarHBondContact O-N 3.48Å; R72-L76 VanDerWaalsContact O-N 3.13Å
73	C	98.4	Very high	97.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-41.8	176	-61.9	0	0	0	0	111.1	A64 I69 Y70 E71 L76 V77 L105 Y109	A64-C73 VanDerWaalsContact C-SG 3.51Å; A64-C73 VanDerWaalsContact CB-SG 3.59Å; I69-C73 PolarHBondContact O-N 3.05Å; I69-C73 PolarHBondContact O-SG 3.47Å; Y70-C73 PolarHBondContact O-N 3.42Å; E71-C73 PolarHBondContact O-N 3.1Å; C73-L76 PolarHBondContact O-N 2.8Å; C73-V77 WeakPolarHBondContact O-CB 3.44Å; C73-V77 VanDerWaalsContact O-CG2 3.27Å; C73-V77 WeakPolarHBondContact O-CG2 3Å; C73-V77 PolarHBondContact O-N 3.35Å; C73-L105 HydrophobicContact CB-CD2 3.59Å; C73-Y109 HydrophobicContact CB-CE1 4.35Å; C73-Y109 VanDerWaalsContact CB-OH 3.27Å; C73-Y109 WeakPolarHBondContact CB-OH 3.37Å; C73-Y109 PolarHBondContact SG-OH 2.83Å; C73-Y109 VanDerWaalsContact SG-OH 3.34Å
74	R	98.2	Very high	97.6	Very high	88 Å²	88	59.6 Å²	59.6	33%	0.332	30%	0.301	S	S	.	.	H	α-helix	trans	-60.2	-51.7	175.9	-168.3	-175.5	77.4	-141.6	-7.2	110.7	Y70 E71 R72 L76 V77 E78 Y108	Y70-R74 HydrophobicContact CE1-CB 4.49Å; Y70-R74 WeakPolarHBondContact O-CB 3.31Å; Y70-R74 PolarHBondContact O-N 3.45Å; E71-R74 VanDerWaalsContact CD-NH1 3.27Å; E71-R74 WeakPolarHBondContact O-CB 3.33Å; E71-R74 PolarHBondContact O-N 2.99Å; E71-R74 IonicContact OE1-CZ 3.36Å; E71-R74 IonicContact OE1-NH1 3.44Å; E71-R74 PolarHBondContact OE1-NH1 3.38Å; E71-R74 IonicContact OE2-CZ 2.8Å; E71-R74 IonicContact OE2-NH1 2.68Å; E71-R74 PolarHBondContact OE2-NH1 3.49Å; E71-R74 IonicContact OE2-NH2 3.45Å; E71-R74 PolarHBondContact OE2-NH2 2.83Å; R72-R74 VanDerWaalsContact C-N 3.35Å; R74-L76 VanDerWaalsContact C-N 3.34Å; R74-L76 PolarHBondContact O-N 3.44Å; R74-V77 PolarHBondContact O-N 2.94Å; R74-E78 HydrophobicContact CG-CG 4.1Å; R74-E78 VanDerWaalsContact O-CG 3.26Å; R74-E78 WeakPolarHBondContact O-CG 3.49Å; R74-E78 PolarHBondContact O-N 3.23Å; R74-Y108 HydrophobicContact CB-CE1 4.35Å; R74-Y108 HydrophobicContact CG-CE1 4.43Å; R74-Y108 HydrophobicContact CG-CE2 3.99Å; R74-Y108 WeakPolarHBondContact CG-OH 3.38Å
75	E	97.8	Very high	97.5	Very high	100 Å²	100	64.5 Å²	64.5	47%	0.467	32%	0.324	S	S	.	.	H	α-helix	trans	-52.3	-48.8	177.6	-75.1	170.4	-172.9	0	0	112.6	E71 R72 E78 A79	E71-E75 VanDerWaalsContact O-CG 3.31Å; E71-E75 WeakPolarHBondContact O-CG 3.46Å; E71-E75 PolarHBondContact O-N 3.35Å; R72-E75 IonicContact NH1-OE2 3.31Å; E75-E78 PolarHBondContact O-N 2.75Å; E75-A79 VanDerWaalsContact O-CB 3.24Å; E75-A79 WeakPolarHBondContact O-CB 3.28Å; E75-A79 PolarHBondContact O-N 3.4Å
76	L	98.2	Very high	97.3	Very high	38 Å²	38	67 Å²	67	20%	0.199	34%	0.341	C	S	.	.	H	α-helix	trans	-67.1	-38.2	-178.8	-72.5	176.1	0	0	0	112.8	I61 R72 C73 R74 A79 G80 Y81	I61-L76 HydrophobicContact CB-CB 4.49Å; I61-L76 HydrophobicContact CB-CD1 3.67Å; I61-L76 HydrophobicContact CD1-CB 3.99Å; I61-L76 HydrophobicContact CG1-CD1 4.34Å; R72-L76 HydrophobicContact CG-CD1 4.39Å; R72-L76 WeakPolarHBondContact O-CG 3.39Å; R72-L76 PolarHBondContact O-N 3.48Å; R72-L76 VanDerWaalsContact O-N 3.13Å; C73-L76 PolarHBondContact O-N 2.8Å; R74-L76 VanDerWaalsContact C-N 3.34Å; R74-L76 PolarHBondContact O-N 3.44Å; L76-A79 PolarHBondContact O-N 2.92Å; L76-G80 PolarHBondContact O-N 3.35Å; L76-Y81 WeakPolarHBondContact O-CB 3.43Å; L76-Y81 PolarHBondContact O-N 2.97Å; L76-Y81 VanDerWaalsContact O-N 3.08Å
77	V	98.1	Very high	97.2	Very high	13 Å²	13	66.5 Å²	66.5	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-69.6	-43.5	176.8	171.4	0	0	0	0	111.4	I61 C73 R74 A79 G80 V83 Y108 Y109 K112	I61-V77 HydrophobicContact CD1-CG2 3.61Å; C73-V77 WeakPolarHBondContact O-CB 3.44Å; C73-V77 VanDerWaalsContact O-CG2 3.27Å; C73-V77 WeakPolarHBondContact O-CG2 3Å; C73-V77 PolarHBondContact O-N 3.35Å; R74-V77 PolarHBondContact O-N 2.94Å; V77-A79 PolarHBondContact O-N 3.33Å; V77-G80 PolarHBondContact O-N 3.16Å; V77-V83 HydrophobicContact CB-CG1 4.44Å; V77-V83 HydrophobicContact CG1-CG1 3.82Å; V77-V83 HydrophobicContact CG2-CG1 3.66Å; V77-Y108 HydrophobicContact CB-CE1 3.99Å; V77-Y108 HydrophobicContact CG1-CE1 4.09Å; V77-Y108 WeakPolarHBondContact CG1-OH 3.4Å; V77-Y108 HydrophobicContact CG2-CE1 4.09Å; V77-Y109 HydrophobicContact CG2-CE1 4.1Å; V77-K112 HydrophobicContact CG1-CB 4.29Å; V77-K112 HydrophobicContact CG1-CD 4.25Å; V77-K112 HydrophobicContact CG1-CG 3.95Å
78	E	97.7	Very high	97.1	Very high	114 Å²	114	69.6 Å²	69.6	53%	0.533	36%	0.356	S	S	.	.	H	α-helix	trans	-69.9	-22.9	176.3	-57.9	-66.9	-174	0	0	112.1	R74 E75 G80 Y108 K112	R74-E78 HydrophobicContact CG-CG 4.1Å; R74-E78 VanDerWaalsContact O-CG 3.26Å; R74-E78 WeakPolarHBondContact O-CG 3.49Å; R74-E78 PolarHBondContact O-N 3.23Å; E75-E78 PolarHBondContact O-N 2.75Å; E78-G80 PolarHBondContact O-N 3.3Å; E78-Y108 PolarHBondContact OE1-OH 3.45Å; E78-K112 VanDerWaalsContact OE1-CE 3.27Å; E78-K112 WeakPolarHBondContact OE1-CE 3.01Å; E78-K112 IonicContact OE1-NZ 3.06Å; E78-K112 PolarHBondContact OE1-NZ 2.91Å; E78-K112 IonicContact OE2-NZ 3.56Å; E78-K112 PolarHBondContact OE2-NZ 3.06Å
79	A	97.6	Very high	96.9	Very high	87 Å²	87	73.3 Å²	73.3	72%	0.719	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-0	168.8	0	0	0	0	0	113.7	E75 L76 V77	E75-A79 VanDerWaalsContact O-CB 3.24Å; E75-A79 WeakPolarHBondContact O-CB 3.28Å; E75-A79 PolarHBondContact O-N 3.4Å; L76-A79 PolarHBondContact O-N 2.92Å; V77-A79 PolarHBondContact O-N 3.33Å
80	G	96.6	Very high	96.8	Very high	64 Å²	64	75.6 Å²	75.6	66%	0.66	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.2	8.6	172.2	0	0	0	0	0	115.7	L76 V77 E78 D82	L76-G80 PolarHBondContact O-N 3.35Å; V77-G80 PolarHBondContact O-N 3.16Å; E78-G80 PolarHBondContact O-N 3.3Å; G80-D82 PolarHBondContact O-N 3.17Å
81	Y	97.4	Very high	96.8	Very high	66 Å²	66	71.9 Å²	71.9	26%	0.259	36%	0.364	S	S	.	.			trans	-66	121.9	172.6	-168.2	-78.2	0	0	0	110.6	I61 L76 V83 L93	I61-Y81 HydrophobicContact CD1-CD1 3.75Å; I61-Y81 HydrophobicContact CD1-CE1 4.23Å; I61-Y81 HydrophobicContact CD1-CG 3.95Å; I61-Y81 HydrophobicContact CG2-CD1 4.27Å; I61-Y81 HydrophobicContact CG2-CD2 3.9Å; I61-Y81 HydrophobicContact CG2-CE1 3.86Å; I61-Y81 HydrophobicContact CG2-CE2 3.45Å; I61-Y81 VanDerWaalsContact CG2-CE2 3.45Å; I61-Y81 HydrophobicContact CG2-CG 4.29Å; I61-Y81 VanDerWaalsContact CG2-CZ 3.43Å; L76-Y81 WeakPolarHBondContact O-CB 3.43Å; L76-Y81 PolarHBondContact O-N 2.97Å; L76-Y81 VanDerWaalsContact O-N 3.08Å; Y81-V83 PolarHBondContact O-N 3.34Å; Y81-L93 HydrophobicContact CD1-CD1 4Å; Y81-L93 HydrophobicContact CE1-CD1 3.7Å; Y81-L93 HydrophobicContact CE1-CG 4.18Å
82	D	97.7	Very high	96.8	Very high	85 Å²	85	67.9 Å²	67.9	46%	0.455	35%	0.346	S	S	.	.			trans	-75.3	114.1	176.4	-177.4	2.2	0	0	0	110.7	G80 R84 Q85	G80-D82 PolarHBondContact O-N 3.17Å; D82-R84 PolarHBondContact O-N 3.47Å; D82-R84 VanDerWaalsContact OD1-CB 3.32Å; D82-R84 WeakPolarHBondContact OD1-CB 3.18Å; D82-R84 WeakPolarHBondContact OD1-CG 3.45Å; D82-R84 PolarHBondContact OD1-N 3.18Å; D82-Q85 HydrophobicContact CB-CB 4.4Å; D82-Q85 VanDerWaalsContact O-CB 3.3Å; D82-Q85 WeakPolarHBondContact O-CB 3.46Å; D82-Q85 PolarHBondContact O-N 2.93Å
83	V	97.5	Very high	96.9	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.018	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.4	178.5	-63.1	0	0	0	0	113.9	V77 Y81 L93 Y109 K112 A114	V77-V83 HydrophobicContact CB-CG1 4.44Å; V77-V83 HydrophobicContact CG1-CG1 3.82Å; V77-V83 HydrophobicContact CG2-CG1 3.66Å; Y81-V83 PolarHBondContact O-N 3.34Å; V83-L93 HydrophobicContact CG1-CD1 4.42Å; V83-Y109 HydrophobicContact CB-CD1 4.48Å; V83-Y109 HydrophobicContact CG1-CD1 3.74Å; V83-Y109 HydrophobicContact CG1-CE1 4.35Å; V83-Y109 HydrophobicContact CG1-CG 4.43Å; V83-K112 HydrophobicContact CG1-CB 4.01Å; V83-K112 HydrophobicContact CG2-CB 3.98Å; V83-K112 WeakPolarHBondContact CG2-O 3.26Å; V83-A114 HydrophobicContact CG2-CB 4.13Å
84	R	96.8	Very high	96.9	Very high	134 Å²	134	65.8 Å²	65.8	51%	0.506	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-16.3	176	-60.1	175.3	172.9	-179.9	-1.6	113.1	D82 P86 G113	D82-R84 PolarHBondContact O-N 3.47Å; D82-R84 VanDerWaalsContact OD1-CB 3.32Å; D82-R84 WeakPolarHBondContact OD1-CB 3.18Å; D82-R84 WeakPolarHBondContact OD1-CG 3.45Å; D82-R84 PolarHBondContact OD1-N 3.18Å; R84-P86 WeakPolarHBondContact O-CD 3.19Å; R84-G113 PolarHBondContact NE-O 3.34Å; R84-G113 PolarHBondContact NH2-O 2.84Å
85	Q	95.3	Very high	96.9	Very high	104 Å²	104	61.6 Å²	61.6	49%	0.486	32%	0.323	S	S	.	.			trans	-66.2	121.2	-178	-174.8	174.5	-2.3	0	0	109.9	D82	D82-Q85 HydrophobicContact CB-CB 4.4Å; D82-Q85 VanDerWaalsContact O-CB 3.3Å; D82-Q85 WeakPolarHBondContact O-CB 3.46Å; D82-Q85 PolarHBondContact O-N 2.93Å
86	P	95.4	Very high	96.9	Very high	53 Å²	53	58.7 Å²	58.7	34%	0.344	31%	0.307	S	S	.	.			trans	-75.5	154.4	170.6	31.7	-33.2	0	0	0	110.7	R84 V91 T92	R84-P86 WeakPolarHBondContact O-CD 3.19Å; P86-V91 WeakPolarHBondContact CA-O 3.38Å; P86-T92 HydrophobicContact CB-CG2 4.27Å
87	D	95.2	Very high	96.9	Very high	37 Å²	37	56.9 Å²	56.9	20%	0.198	30%	0.298	C	S	.	.			trans	-76.5	-172.1	169.2	68.2	20	0	0	0	112.3	V62 E89 N90 V91 W96	V62-D87 HydrophobicContact CG2-CB 4.46Å; D87-E89 PolarHBondContact O-N 3.14Å; D87-E89 WeakPolarHBondContact OD1-CA 3.38Å; D87-E89 PolarHBondContact OD1-N 3.35Å; D87-N90 PolarHBondContact O-N 3.36Å; D87-N90 VanDerWaalsContact O-N 3.09Å; D87-N90 PolarHBondContact OD1-N 3.43Å; D87-V91 VanDerWaalsContact CG-O 3.28Å; D87-V91 PolarHBondContact N-O 3.32Å; D87-V91 WeakPolarHBondContact OD1-CB 3.41Å; D87-V91 PolarHBondContact OD1-N 3.03Å; D87-W96 PolarHBondContact OD2-NE1 2.92Å
88	K	94.7	Very high	97	Very high	200 Å²	200	56.2 Å²	56.2	87%	0.87	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.8	-179.5	70.4	-177.9	-177.7	173.4	0	114.3
89	E	92.6	Very high	97	Very high	104 Å²	104	52.6 Å²	52.6	49%	0.486	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	13.8	179	-59.1	-176.8	158.3	0	0	111.1	D87 V91 G121	D87-E89 PolarHBondContact O-N 3.14Å; D87-E89 WeakPolarHBondContact OD1-CA 3.38Å; D87-E89 PolarHBondContact OD1-N 3.35Å; E89-V91 VanDerWaalsContact C-N 3.25Å; E89-V91 HydrophobicContact CB-CG2 4.04Å; E89-V91 PolarHBondContact O-N 3.01Å; E89-G121 WeakPolarHBondContact O-CA 3.45Å
90	N	95.9	Very high	97	Very high	78 Å²	78	51.2 Å²	51.2	42%	0.417	26%	0.259	S	S	.	.	S	Bend	trans	61.2	31	-174.1	-168.4	40.8	0	0	0	112.7	D87 G120 G121	D87-N90 PolarHBondContact O-N 3.36Å; D87-N90 VanDerWaalsContact O-N 3.09Å; D87-N90 PolarHBondContact OD1-N 3.43Å; N90-G120 CarbonylContact O-C 3.47Å; N90-G120 WeakPolarHBondContact O-CA 3.31Å; N90-G121 PolarHBondContact O-N 3Å
91	V	97.8	Very high	97.1	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.024	24%	0.241	C	C	.	.			trans	-108.3	125.9	-178.5	-176.8	0	0	0	0	109.9	P86 D87 E89 H95 W96 W130	P86-V91 WeakPolarHBondContact CA-O 3.38Å; D87-V91 VanDerWaalsContact CG-O 3.28Å; D87-V91 PolarHBondContact N-O 3.32Å; D87-V91 WeakPolarHBondContact OD1-CB 3.41Å; D87-V91 PolarHBondContact OD1-N 3.03Å; E89-V91 VanDerWaalsContact C-N 3.25Å; E89-V91 HydrophobicContact CB-CG2 4.04Å; E89-V91 PolarHBondContact O-N 3.01Å; V91-H95 HydrophobicContact CG1-CB 3.44Å; V91-H95 VanDerWaalsContact CG1-CB 3.44Å; V91-W96 HydrophobicContact CB-CZ2 4.38Å; V91-W96 HydrophobicContact CG1-CD2 4.08Å; V91-W96 HydrophobicContact CG1-CG 4.14Å; V91-W96 HydrophobicContact CG1-CZ2 4.14Å; V91-W130 HydrophobicContact CB-CH2 4.39Å; V91-W130 HydrophobicContact CG1-CH2 3.66Å; V91-W130 HydrophobicContact CG1-CZ2 4.33Å; V91-W130 HydrophobicContact CG1-CZ3 3.86Å; V91-W130 HydrophobicContact CG2-CH2 3.71Å; V91-W130 HydrophobicContact CG2-CZ2 4.07Å
92	T	97.7	Very high	97.1	Very high	8 Å²	8	51.8 Å²	51.8	5%	0.049	24%	0.244	C	C	.	.			trans	-85.2	162.7	177	69.2	0	0	0	0	112.5	P86 L94 H95 W96 Q118	P86-T92 HydrophobicContact CB-CG2 4.27Å; T92-L94 PolarHBondContact O-N 3Å; T92-L94 VanDerWaalsContact O-N 3.11Å; T92-H95 PolarHBondContact N-ND1 3.35Å; T92-H95 WeakPolarHBondContact O-CB 3.47Å; T92-H95 PolarHBondContact O-N 3.13Å; T92-H95 PolarHBondContact OG1-ND1 3.35Å; T92-W96 PolarHBondContact O-N 3.34Å; T92-Q118 HydrophobicContact CG2-CG 3.69Å
93	L	98.4	Very high	97.1	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-55.6	-31.1	174.8	-60.9	-177.2	0	0	0	113	I61 V62 Y81 V83 H95 W96 A97 Y109	I61-L93 HydrophobicContact CB-CD2 4.49Å; I61-L93 HydrophobicContact CD1-CD1 3.47Å; I61-L93 VanDerWaalsContact CD1-CD1 3.47Å; I61-L93 HydrophobicContact CG1-CD1 3.77Å; I61-L93 HydrophobicContact CG1-CD2 3.99Å; I61-L93 HydrophobicContact CG2-CD2 3.95Å; V62-L93 HydrophobicContact CG2-CD2 4.14Å; Y81-L93 HydrophobicContact CD1-CD1 4Å; Y81-L93 HydrophobicContact CE1-CD1 3.7Å; Y81-L93 HydrophobicContact CE1-CG 4.18Å; V83-L93 HydrophobicContact CG1-CD1 4.42Å; L93-H95 VanDerWaalsContact C-N 3.35Å; L93-W96 PolarHBondContact O-N 3.3Å; L93-A97 VanDerWaalsContact O-CB 3.3Å; L93-A97 WeakPolarHBondContact O-CB 3.07Å; L93-A97 PolarHBondContact O-N 3.1Å; L93-Y109 HydrophobicContact CB-CD2 3.83Å; L93-Y109 HydrophobicContact CB-CE2 3.59Å; L93-Y109 HydrophobicContact CB-CG 4.46Å; L93-Y109 HydrophobicContact CD1-CD1 4.5Å; L93-Y109 HydrophobicContact CD1-CE1 4Å; L93-Y109 HydrophobicContact CD1-CE2 4.29Å
94	L	98.4	Very high	97.2	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-66.3	-36.4	177.9	-164.4	63.2	0	0	0	112.1	T92 A98 V106 I110 A114 I115 P127	T92-L94 PolarHBondContact O-N 3Å; T92-L94 VanDerWaalsContact O-N 3.11Å; L94-A98 WeakPolarHBondContact O-CB 3.38Å; L94-A98 PolarHBondContact O-N 3.32Å; L94-V106 HydrophobicContact CD1-CB 4.21Å; L94-V106 HydrophobicContact CD1-CG1 3.97Å; L94-V106 HydrophobicContact CD1-CG2 4.02Å; L94-I110 HydrophobicContact CD1-CD1 4.19Å; L94-I110 HydrophobicContact CD1-CG1 3.94Å; L94-I110 HydrophobicContact CD2-CG1 4.25Å; L94-A114 HydrophobicContact CB-CB 4.45Å; L94-A114 HydrophobicContact CD2-CB 4.22Å; L94-I115 WeakPolarHBondContact CD2-O 3.22Å; L94-P127 HydrophobicContact CB-CG 4.08Å; L94-P127 HydrophobicContact CD2-CB 4.47Å; L94-P127 HydrophobicContact CD2-CG 3.92Å; L94-P127 HydrophobicContact CG-CB 4.09Å; L94-P127 HydrophobicContact CG-CG 3.82Å
95	H	98.6	Very high	97.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-49.1	173.5	-68.1	88	0	0	0	111.6	V91 T92 L93 A97 A98 I99 Q118 S125 P127 W130	V91-H95 HydrophobicContact CG1-CB 3.44Å; V91-H95 VanDerWaalsContact CG1-CB 3.44Å; T92-H95 PolarHBondContact N-ND1 3.35Å; T92-H95 WeakPolarHBondContact O-CB 3.47Å; T92-H95 PolarHBondContact O-N 3.13Å; T92-H95 PolarHBondContact OG1-ND1 3.35Å; L93-H95 VanDerWaalsContact C-N 3.35Å; H95-A97 VanDerWaalsContact C-N 3.3Å; H95-A97 PolarHBondContact O-N 3.49Å; H95-A98 PolarHBondContact O-N 3.45Å; H95-A98 VanDerWaalsContact O-N 3.16Å; H95-I99 WeakPolarHBondContact O-CG2 3.42Å; H95-I99 PolarHBondContact O-N 2.82Å; H95-Q118 PolarHBondContact CE1-O 3.48Å; H95-Q118 PolarHBondContact NE2-O 3.33Å; H95-Q118 VanDerWaalsContact NE2-O 3.14Å; H95-S125 PolarHBondContact NE2-O 3.22Å; H95-P127 WeakPolarHBondContact NE2-CD 3.47Å; H95-W130 HydrophobicContact CB-CD2 4.14Å; H95-W130 HydrophobicContact CB-CE3 3.86Å; H95-W130 HydrophobicContact CB-CZ3 4.16Å; H95-W130 AromaticContact CD2-CE2 3.98Å; H95-W130 AromaticContact CD2-NE1 3.89Å
96	W	98.2	Very high	97.4	Very high	38 Å²	38	42.7 Å²	42.7	14%	0.144	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-39.4	178.2	-72.9	120.3	0	0	0	112.3	V62 T65 Q66 D87 V91 T92 L93 I99 N100 W130	V62-W96 HydrophobicContact CG1-CD2 4.2Å; V62-W96 HydrophobicContact CG1-CG 4.12Å; T65-W96 HydrophobicContact CG2-CB 3.78Å; Q66-W96 HydrophobicContact CG-CB 4.34Å; Q66-W96 HydrophobicContact CG-CD2 4.1Å; Q66-W96 HydrophobicContact CG-CE3 3.76Å; Q66-W96 HydrophobicContact CG-CG 4.39Å; Q66-W96 HydrophobicContact CG-CZ3 4.44Å; D87-W96 PolarHBondContact OD2-NE1 2.92Å; V91-W96 HydrophobicContact CB-CZ2 4.38Å; V91-W96 HydrophobicContact CG1-CD2 4.08Å; V91-W96 HydrophobicContact CG1-CG 4.14Å; V91-W96 HydrophobicContact CG1-CZ2 4.14Å; T92-W96 PolarHBondContact O-N 3.34Å; L93-W96 PolarHBondContact O-N 3.3Å; W96-I99 HydrophobicContact CE3-CG2 4.24Å; W96-N100 WeakPolarHBondContact O-CB 3.41Å; W96-N100 PolarHBondContact O-N 3.5Å; W96-N100 PolarHBondContact O-ND2 3.04Å; W96-W130 HydrophobicContact CE3-CZ3 4.29Å; W96-W130 HydrophobicContact CZ3-CZ3 4.28Å
97	A	98.6	Very high	97.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.4	-41.3	175	0	0	0	0	0	111.7	T65 L93 H95 N101 R102 L105 V106 Y109	T65-A97 HydrophobicContact CG2-CB 3.84Å; L93-A97 VanDerWaalsContact O-CB 3.3Å; L93-A97 WeakPolarHBondContact O-CB 3.07Å; L93-A97 PolarHBondContact O-N 3.1Å; H95-A97 VanDerWaalsContact C-N 3.3Å; H95-A97 PolarHBondContact O-N 3.49Å; A97-N101 PolarHBondContact O-N 2.96Å; A97-R102 HydrophobicContact CB-CB 4.2Å; A97-R102 PolarHBondContact O-N 3.32Å; A97-L105 HydrophobicContact CB-CB 4.19Å; A97-V106 HydrophobicContact CB-CG2 3.59Å; A97-Y109 HydrophobicContact CB-CD2 4.29Å; A97-Y109 HydrophobicContact CB-CE2 4.24Å
98	A	98.7	Very high	97.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.5	-49.9	-178.9	0	0	0	0	0	112.9	L94 H95 N100 N101 P127 A131 M139 L143	L94-A98 WeakPolarHBondContact O-CB 3.38Å; L94-A98 PolarHBondContact O-N 3.32Å; H95-A98 PolarHBondContact O-N 3.45Å; H95-A98 VanDerWaalsContact O-N 3.16Å; A98-N100 PolarHBondContact O-N 2.94Å; A98-N101 PolarHBondContact O-N 3.21Å; A98-N101 VanDerWaalsContact O-N 3.12Å; A98-P127 HydrophobicContact CB-CB 3.82Å; A98-P127 WeakPolarHBondContact CB-O 3.24Å; A98-A131 HydrophobicContact CB-CB 4.35Å; A98-M139 HydrophobicContact CB-CG 4.18Å; A98-L143 HydrophobicContact CB-CD1 4.04Å
99	I	97.9	Very high	97.9	Very high	38 Å²	38	33 Å²	33	20%	0.195	16%	0.159	C	C	.	.	H	α-helix	trans	-65.9	-25.7	-179.3	-160.3	172.6	0	0	0	113.1	H95 W96 W130 Q134 H136	H95-I99 WeakPolarHBondContact O-CG2 3.42Å; H95-I99 PolarHBondContact O-N 2.82Å; W96-I99 HydrophobicContact CE3-CG2 4.24Å; I99-W130 HydrophobicContact CB-CB 4.13Å; I99-W130 HydrophobicContact CB-CD2 4.49Å; I99-W130 HydrophobicContact CB-CE3 3.7Å; I99-W130 HydrophobicContact CD1-CD2 4.16Å; I99-W130 HydrophobicContact CD1-CE3 3.56Å; I99-W130 HydrophobicContact CD1-CZ3 3.98Å; I99-W130 HydrophobicContact CG1-CB 4.47Å; I99-W130 HydrophobicContact CG1-CE3 4.15Å; I99-W130 HydrophobicContact CG2-CE3 3.78Å; I99-W130 HydrophobicContact CG2-CZ3 4.16Å; I99-Q134 HydrophobicContact CD1-CG 4.37Å; I99-Q134 HydrophobicContact CG1-CG 3.46Å; I99-Q134 VanDerWaalsContact CG1-CG 3.46Å; I99-H136 PolarHBondContact O-CD2 3.41Å; I99-H136 PolarHBondContact O-NE2 3.06Å; I99-H136 VanDerWaalsContact O-NE2 3.17Å
100	N	98.3	Very high	98.2	Very high	58 Å²	58	29.4 Å²	29.4	31%	0.31	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	12	176.8	-69.4	-78.7	0	0	0	113.3	Q66 W96 A98 R102	Q66-N100 WeakPolarHBondContact O-CB 3.47Å; W96-N100 WeakPolarHBondContact O-CB 3.41Å; W96-N100 PolarHBondContact O-N 3.5Å; W96-N100 PolarHBondContact O-ND2 3.04Å; A98-N100 PolarHBondContact O-N 2.94Å; N100-R102 VanDerWaalsContact C-N 3.29Å; N100-R102 HydrophobicContact CB-CG 3.97Å; N100-R102 WeakPolarHBondContact O-CD 3.35Å; N100-R102 PolarHBondContact O-N 3.19Å; N100-R102 PolarHBondContact O-NE 3.02Å
101	N	98	Very high	98.3	Very high	56 Å²	56	30 Å²	30	30%	0.299	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	36.5	179.7	-157.7	22.6	0	0	0	114.8	A97 A98 I103 H136 S138 M139	A97-N101 PolarHBondContact O-N 2.96Å; A98-N101 PolarHBondContact O-N 3.21Å; A98-N101 VanDerWaalsContact O-N 3.12Å; N101-I103 VanDerWaalsContact C-N 3.34Å; N101-I103 PolarHBondContact O-N 3.01Å; N101-H136 HydrophobicContact CB-CB 4.45Å; N101-S138 PolarHBondContact OD1-OG 2.88Å; N101-M139 VanDerWaalsContact C-CE 3.45Å
102	R	98.4	Very high	98.3	Very high	85 Å²	85	33.7 Å²	33.7	32%	0.321	17%	0.169	S	C	.	.			trans	-85.5	72.9	-179.7	-52.3	-54.3	-174.4	-173.2	-6	111.3	T65 Q66 Y67 A97 N100 D104 L105 V106	T65-R102 WeakPolarHBondContact O-CG 3.48Å; Q66-R102 VanDerWaalsContact O-CZ 3.28Å; Q66-R102 PolarHBondContact O-NE 3.47Å; Q66-R102 PolarHBondContact O-NH2 3Å; Y67-R102 VanDerWaalsContact C-CZ 3.48Å; Y67-R102 PolarHBondContact O-NH2 3.1Å; A97-R102 HydrophobicContact CB-CB 4.2Å; A97-R102 PolarHBondContact O-N 3.32Å; N100-R102 VanDerWaalsContact C-N 3.29Å; N100-R102 HydrophobicContact CB-CG 3.97Å; N100-R102 WeakPolarHBondContact O-CD 3.35Å; N100-R102 PolarHBondContact O-N 3.19Å; N100-R102 PolarHBondContact O-NE 3.02Å; R102-D104 VanDerWaalsContact C-N 3.32Å; R102-D104 PolarHBondContact O-N 3.36Å; R102-L105 HydrophobicContact CB-CB 4Å; R102-L105 HydrophobicContact CB-CD1 4.01Å; R102-L105 HydrophobicContact CB-CG 4.33Å; R102-L105 HydrophobicContact CG-CD1 4.39Å; R102-L105 PolarHBondContact O-N 3.44Å; R102-L105 VanDerWaalsContact O-N 3.15Å; R102-V106 PolarHBondContact O-N 2.89Å
103	I	97.9	Very high	98.3	Very high	37 Å²	37	34.4 Å²	34.4	19%	0.19	18%	0.178	C	C	.	.	H	α-helix	trans	-53.1	-45.7	-172	-63.5	-72.6	0	0	0	112.7	N101 V106 K107 M139 Q142	N101-I103 VanDerWaalsContact C-N 3.34Å; N101-I103 PolarHBondContact O-N 3.01Å; I103-V106 PolarHBondContact O-N 3.43Å; I103-K107 HydrophobicContact CG2-CD 4.5Å; I103-K107 WeakPolarHBondContact O-CG 3.35Å; I103-K107 PolarHBondContact O-N 3.28Å; I103-K107 VanDerWaalsContact O-N 3.09Å; I103-M139 HydrophobicContact CB-CE 4.49Å; I103-M139 HydrophobicContact CD1-CB 4.07Å; I103-M139 HydrophobicContact CD1-CE 3.55Å; I103-M139 HydrophobicContact CD1-SD 3.79Å; I103-M139 HydrophobicContact CG1-CE 4.02Å; I103-Q142 HydrophobicContact CD1-CB 4.17Å; I103-Q142 HydrophobicContact CG2-CG 4.43Å
104	D	98.3	Very high	98.3	Very high	95 Å²	95	34.8 Å²	34.8	51%	0.508	18%	0.181	S	C	.	.	H	α-helix	trans	-72.8	-31.3	-176.3	-61	-38.1	0	0	0	112.8	Y70 R102 K107 Y108	Y70-D104 HydrophobicContact CD2-CB 4.23Å; Y70-D104 HydrophobicContact CE2-CB 4.35Å; R102-D104 VanDerWaalsContact C-N 3.32Å; R102-D104 PolarHBondContact O-N 3.36Å; D104-K107 PolarHBondContact O-N 3.29Å; D104-K107 IonicContact OD1-NZ 3.23Å; D104-K107 PolarHBondContact OD1-NZ 3.3Å; D104-Y108 WeakPolarHBondContact O-CB 3.43Å; D104-Y108 PolarHBondContact O-N 3.32Å
105	L	98.7	Very high	98.3	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-67.9	-39.6	170.8	-75	-179.5	0	0	0	111.9	T65 Y70 C73 A97 R102 K107 Y108 Y109	T65-L105 HydrophobicContact CG2-CD1 4.14Å; Y70-L105 HydrophobicContact CD2-CD2 3.82Å; Y70-L105 HydrophobicContact CD2-CG 4.38Å; Y70-L105 HydrophobicContact CG-CD2 4.46Å; C73-L105 HydrophobicContact CB-CD2 3.59Å; A97-L105 HydrophobicContact CB-CB 4.19Å; R102-L105 HydrophobicContact CB-CB 4Å; R102-L105 HydrophobicContact CB-CD1 4.01Å; R102-L105 HydrophobicContact CB-CG 4.33Å; R102-L105 HydrophobicContact CG-CD1 4.39Å; R102-L105 PolarHBondContact O-N 3.44Å; R102-L105 VanDerWaalsContact O-N 3.15Å; L105-K107 PolarHBondContact O-N 3.12Å; L105-Y108 PolarHBondContact O-N 2.81Å; L105-Y109 HydrophobicContact CB-CD2 4.36Å; L105-Y109 HydrophobicContact CB-CE2 3.99Å; L105-Y109 HydrophobicContact CD2-CE1 4.41Å; L105-Y109 HydrophobicContact CD2-CE2 4.44Å; L105-Y109 WeakPolarHBondContact O-CB 3.4Å; L105-Y109 WeakPolarHBondContact O-CD2 3.4Å; L105-Y109 VanDerWaalsContact O-CG 3.25Å; L105-Y109 PolarHBondContact O-N 2.68Å
106	V	98.6	Very high	98.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.6	-47.9	174.1	164.5	0	0	0	0	111	L94 A97 R102 I103 Y108 I110 M139 L143	L94-V106 HydrophobicContact CD1-CB 4.21Å; L94-V106 HydrophobicContact CD1-CG1 3.97Å; L94-V106 HydrophobicContact CD1-CG2 4.02Å; A97-V106 HydrophobicContact CB-CG2 3.59Å; R102-V106 PolarHBondContact O-N 2.89Å; I103-V106 PolarHBondContact O-N 3.43Å; V106-Y108 VanDerWaalsContact C-N 3.33Å; V106-Y108 PolarHBondContact O-N 2.85Å; V106-I110 HydrophobicContact CG1-CD1 3.75Å; V106-I110 WeakPolarHBondContact O-CB 3.45Å; V106-I110 VanDerWaalsContact O-CG1 3.26Å; V106-I110 WeakPolarHBondContact O-CG1 3.42Å; V106-I110 PolarHBondContact O-N 3.31Å; V106-M139 HydrophobicContact CB-CE 4.31Å; V106-M139 HydrophobicContact CB-SD 4.07Å; V106-M139 HydrophobicContact CG1-SD 4.11Å; V106-M139 HydrophobicContact CG2-CE 3.6Å; V106-M139 HydrophobicContact CG2-SD 3.55Å; V106-M139 VanDerWaalsContact CG2-SD 3.55Å; V106-L143 HydrophobicContact CG1-CD2 3.81Å; V106-L143 HydrophobicContact CG1-CG 4.49Å
107	K	98.4	Very high	98.3	Very high	73 Å²	73	39.8 Å²	39.8	32%	0.317	21%	0.211	S	C	.	.	H	α-helix	trans	-58.3	-45.7	175.6	-63.3	171.9	-171.1	156.1	0	111.4	I103 D104 L105 S111 Y146	I103-K107 HydrophobicContact CG2-CD 4.5Å; I103-K107 WeakPolarHBondContact O-CG 3.35Å; I103-K107 PolarHBondContact O-N 3.28Å; I103-K107 VanDerWaalsContact O-N 3.09Å; D104-K107 PolarHBondContact O-N 3.29Å; D104-K107 IonicContact OD1-NZ 3.23Å; D104-K107 PolarHBondContact OD1-NZ 3.3Å; L105-K107 PolarHBondContact O-N 3.12Å; K107-S111 WeakPolarHBondContact O-CB 3.47Å; K107-S111 PolarHBondContact O-N 3.35Å; K107-Y146 HydrophobicContact CB-CE2 4.49Å; K107-Y146 HydrophobicContact CG-CE2 4.03Å; K107-Y146 WeakPolarHBondContact CG-OH 3.42Å
108	Y	98.6	Very high	98.3	Very high	14 Å²	14	43 Å²	43	6%	0.055	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-50.2	-179.5	176.3	-111.1	0	0	0	112.3	Y70 R74 V77 E78 D104 L105 V106 I110 S111 K112	Y70-Y108 HydrophobicContact CE2-CG 4.2Å; R74-Y108 HydrophobicContact CB-CE1 4.35Å; R74-Y108 HydrophobicContact CG-CE1 4.43Å; R74-Y108 HydrophobicContact CG-CE2 3.99Å; R74-Y108 WeakPolarHBondContact CG-OH 3.38Å; V77-Y108 HydrophobicContact CB-CE1 3.99Å; V77-Y108 HydrophobicContact CG1-CE1 4.09Å; V77-Y108 WeakPolarHBondContact CG1-OH 3.4Å; V77-Y108 HydrophobicContact CG2-CE1 4.09Å; E78-Y108 PolarHBondContact OE1-OH 3.45Å; D104-Y108 WeakPolarHBondContact O-CB 3.43Å; D104-Y108 PolarHBondContact O-N 3.32Å; L105-Y108 PolarHBondContact O-N 2.81Å; V106-Y108 VanDerWaalsContact C-N 3.33Å; V106-Y108 PolarHBondContact O-N 2.85Å; Y108-I110 VanDerWaalsContact C-N 3.34Å; Y108-I110 PolarHBondContact O-N 3.39Å; Y108-S111 WeakPolarHBondContact O-CA 3.41Å; Y108-S111 WeakPolarHBondContact O-CB 3.29Å; Y108-S111 PolarHBondContact O-N 2.73Å; Y108-S111 VanDerWaalsContact O-N 3.07Å; Y108-S111 PolarHBondContact O-OG 3.24Å; Y108-K112 HydrophobicContact CD2-CG 4.35Å; Y108-K112 HydrophobicContact CE1-CG 4.28Å; Y108-K112 HydrophobicContact CE2-CD 4.3Å; Y108-K112 VanDerWaalsContact CE2-CE 3.41Å; Y108-K112 HydrophobicContact CE2-CG 3.88Å; Y108-K112 WeakPolarHBondContact O-CG 3.48Å; Y108-K112 PolarHBondContact O-N 3.48Å; Y108-K112 WeakPolarHBondContact OH-CE 3.28Å
109	Y	98.7	Very high	98.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.9	-39	180	-64.2	-29.2	0	0	0	112.6	T65 C73 V77 V83 L93 A97 L105 S111 K112 G113 A114	T65-Y109 HydrophobicContact CG2-CE2 3.85Å; T65-Y109 PolarHBondContact OG1-OH 3.18Å; C73-Y109 HydrophobicContact CB-CE1 4.35Å; C73-Y109 VanDerWaalsContact CB-OH 3.27Å; C73-Y109 WeakPolarHBondContact CB-OH 3.37Å; C73-Y109 PolarHBondContact SG-OH 2.83Å; C73-Y109 VanDerWaalsContact SG-OH 3.34Å; V77-Y109 HydrophobicContact CG2-CE1 4.1Å; V83-Y109 HydrophobicContact CB-CD1 4.48Å; V83-Y109 HydrophobicContact CG1-CD1 3.74Å; V83-Y109 HydrophobicContact CG1-CE1 4.35Å; V83-Y109 HydrophobicContact CG1-CG 4.43Å; L93-Y109 HydrophobicContact CB-CD2 3.83Å; L93-Y109 HydrophobicContact CB-CE2 3.59Å; L93-Y109 HydrophobicContact CB-CG 4.46Å; L93-Y109 HydrophobicContact CD1-CD1 4.5Å; L93-Y109 HydrophobicContact CD1-CE1 4Å; L93-Y109 HydrophobicContact CD1-CE2 4.29Å; A97-Y109 HydrophobicContact CB-CD2 4.29Å; A97-Y109 HydrophobicContact CB-CE2 4.24Å; L105-Y109 HydrophobicContact CB-CD2 4.36Å; L105-Y109 HydrophobicContact CB-CE2 3.99Å; L105-Y109 HydrophobicContact CD2-CE1 4.41Å; L105-Y109 HydrophobicContact CD2-CE2 4.44Å; L105-Y109 WeakPolarHBondContact O-CB 3.4Å; L105-Y109 WeakPolarHBondContact O-CD2 3.4Å; L105-Y109 VanDerWaalsContact O-CG 3.25Å; L105-Y109 PolarHBondContact O-N 2.68Å; Y109-S111 VanDerWaalsContact C-N 3.34Å; Y109-S111 PolarHBondContact O-N 3.14Å; Y109-K112 CarbonylContact O-C 3.6Å; Y109-K112 PolarHBondContact O-N 3.49Å; Y109-K112 VanDerWaalsContact O-N 3.12Å; Y109-G113 PolarHBondContact O-N 3.19Å; Y109-A114 VanDerWaalsContact O-CB 3.23Å; Y109-A114 WeakPolarHBondContact O-CB 3.41Å; Y109-A114 PolarHBondContact O-N 3.4Å
110	I	98.5	Very high	98.1	Very high	29 Å²	29	43.9 Å²	43.9	15%	0.149	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-41.1	173.2	-67.4	169.4	0	0	0	110.5	L94 V106 Y108 K112 G113 V116 Y146	L94-I110 HydrophobicContact CD1-CD1 4.19Å; L94-I110 HydrophobicContact CD1-CG1 3.94Å; L94-I110 HydrophobicContact CD2-CG1 4.25Å; V106-I110 HydrophobicContact CG1-CD1 3.75Å; V106-I110 WeakPolarHBondContact O-CB 3.45Å; V106-I110 VanDerWaalsContact O-CG1 3.26Å; V106-I110 WeakPolarHBondContact O-CG1 3.42Å; V106-I110 PolarHBondContact O-N 3.31Å; Y108-I110 VanDerWaalsContact C-N 3.34Å; Y108-I110 PolarHBondContact O-N 3.39Å; I110-K112 PolarHBondContact O-N 2.86Å; I110-G113 PolarHBondContact O-N 3Å; I110-V116 HydrophobicContact CD1-CG2 4.04Å; I110-V116 HydrophobicContact CG1-CG2 4.18Å; I110-V116 HydrophobicContact CG2-CG2 4.45Å; I110-Y146 HydrophobicContact CD1-CD1 4.3Å; I110-Y146 HydrophobicContact CD1-CD2 3.33Å; I110-Y146 HydrophobicContact CD1-CE2 3.88Å; I110-Y146 HydrophobicContact CD1-CG 3.57Å; I110-Y146 HydrophobicContact CG2-CD1 3.8Å; I110-Y146 HydrophobicContact CG2-CE1 4.09Å; I110-Y146 HydrophobicContact CG2-CG 4.13Å
111	S	98.1	Very high	98	Very high	89 Å²	89	41.7 Å²	41.7	62%	0.622	22%	0.222	S	C	*	.	H	α-helix	trans	-63.4	-23.5	174.8	81.3	0	0	0	0	113.7	K107 Y108 Y109	K107-S111 WeakPolarHBondContact O-CB 3.47Å; K107-S111 PolarHBondContact O-N 3.35Å; Y108-S111 WeakPolarHBondContact O-CA 3.41Å; Y108-S111 WeakPolarHBondContact O-CB 3.29Å; Y108-S111 PolarHBondContact O-N 2.73Å; Y108-S111 VanDerWaalsContact O-N 3.07Å; Y108-S111 PolarHBondContact O-OG 3.24Å; Y109-S111 VanDerWaalsContact C-N 3.34Å; Y109-S111 PolarHBondContact O-N 3.14Å
112	K	98.2	Very high	97.7	Very high	82 Å²	82	47 Å²	47	36%	0.357	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	8.4	174.5	-63.6	-66.6	-176.7	170.3	0	113.1	V77 E78 V83 Y108 Y109 I110	V77-K112 HydrophobicContact CG1-CB 4.29Å; V77-K112 HydrophobicContact CG1-CD 4.25Å; V77-K112 HydrophobicContact CG1-CG 3.95Å; E78-K112 VanDerWaalsContact OE1-CE 3.27Å; E78-K112 WeakPolarHBondContact OE1-CE 3.01Å; E78-K112 IonicContact OE1-NZ 3.06Å; E78-K112 PolarHBondContact OE1-NZ 2.91Å; E78-K112 IonicContact OE2-NZ 3.56Å; E78-K112 PolarHBondContact OE2-NZ 3.06Å; V83-K112 HydrophobicContact CG1-CB 4.01Å; V83-K112 HydrophobicContact CG2-CB 3.98Å; V83-K112 WeakPolarHBondContact CG2-O 3.26Å; Y108-K112 HydrophobicContact CD2-CG 4.35Å; Y108-K112 HydrophobicContact CE1-CG 4.28Å; Y108-K112 HydrophobicContact CE2-CD 4.3Å; Y108-K112 VanDerWaalsContact CE2-CE 3.41Å; Y108-K112 HydrophobicContact CE2-CG 3.88Å; Y108-K112 WeakPolarHBondContact O-CG 3.48Å; Y108-K112 PolarHBondContact O-N 3.48Å; Y108-K112 WeakPolarHBondContact OH-CE 3.28Å; Y109-K112 CarbonylContact O-C 3.6Å; Y109-K112 PolarHBondContact O-N 3.49Å; Y109-K112 VanDerWaalsContact O-N 3.12Å; I110-K112 PolarHBondContact O-N 2.86Å
113	G	97.6	Very high	97.5	Very high	23 Å²	23	46 Å²	46	24%	0.237	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	15.1	170.7	0	0	0	0	0	115.5	R84 Y109 I110	R84-G113 PolarHBondContact NE-O 3.34Å; R84-G113 PolarHBondContact NH2-O 2.84Å; Y109-G113 PolarHBondContact O-N 3.19Å; I110-G113 PolarHBondContact O-N 3Å
114	A	98.3	Very high	97.4	Very high	9 Å²	9	47.9 Å²	47.9	7%	0.074	26%	0.261	C	S	.	.			trans	-56.5	137.6	171.2	0	0	0	0	0	111.1	V83 L94 Y109 V116	V83-A114 HydrophobicContact CG2-CB 4.13Å; L94-A114 HydrophobicContact CB-CB 4.45Å; L94-A114 HydrophobicContact CD2-CB 4.22Å; Y109-A114 VanDerWaalsContact O-CB 3.23Å; Y109-A114 WeakPolarHBondContact O-CB 3.41Å; Y109-A114 PolarHBondContact O-N 3.4Å; A114-V116 PolarHBondContact O-N 2.92Å
115	I	98.3	Very high	97.4	Very high	80 Å²	80	43.4 Å²	43.4	41%	0.41	24%	0.237	S	C	.	.			trans	-81.6	118.8	179	-61.2	168.1	0	0	0	108.2	L94 D117 Q118	L94-I115 WeakPolarHBondContact CD2-O 3.22Å; I115-D117 PolarHBondContact O-N 3.19Å; I115-Q118 HydrophobicContact CB-CB 4.09Å; I115-Q118 HydrophobicContact CG2-CB 4.18Å; I115-Q118 WeakPolarHBondContact O-CB 3.16Å; I115-Q118 PolarHBondContact O-N 3.28Å
116	V	98.5	Very high	97.4	Very high	22 Å²	22	43.2 Å²	43.2	13%	0.133	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-44.9	-171.2	177.7	0	0	0	0	112.4	I110 A114 P127 A148	I110-V116 HydrophobicContact CD1-CG2 4.04Å; I110-V116 HydrophobicContact CG1-CG2 4.18Å; I110-V116 HydrophobicContact CG2-CG2 4.45Å; A114-V116 PolarHBondContact O-N 2.92Å; V116-P127 VanDerWaalsContact O-CD 3.29Å; V116-P127 WeakPolarHBondContact O-CD 3.28Å; V116-P127 WeakPolarHBondContact O-CG 3.44Å; V116-A148 HydrophobicContact CG1-CB 3.48Å; V116-A148 VanDerWaalsContact CG1-CB 3.48Å
117	D	98.5	Very high	97.4	Very high	43 Å²	43	43.2 Å²	43.2	23%	0.23	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	29.5	-179.6	-67.5	-39.7	0	0	0	112.7	I115 L119 T126 A148 D149 L152	I115-D117 PolarHBondContact O-N 3.19Å; D117-L119 PolarHBondContact O-N 3.1Å; D117-T126 HydrophobicContact CB-CG2 4.21Å; D117-A148 WeakPolarHBondContact OD1-CA 3.37Å; D117-D149 PolarHBondContact OD1-N 3.35Å; D117-D149 PolarHBondContact OD2-N 2.9Å; D117-L152 HydrophobicContact CB-CD1 3.66Å
118	Q	97.9	Very high	97.4	Very high	67 Å²	67	39.8 Å²	39.8	31%	0.313	22%	0.221	S	C	.	.			trans	-59.2	126.9	173.1	-177.1	59.2	57.2	0	0	109.4	T92 H95 I115 P127	T92-Q118 HydrophobicContact CG2-CG 3.69Å; H95-Q118 PolarHBondContact CE1-O 3.48Å; H95-Q118 PolarHBondContact NE2-O 3.33Å; H95-Q118 VanDerWaalsContact NE2-O 3.14Å; I115-Q118 HydrophobicContact CB-CB 4.09Å; I115-Q118 HydrophobicContact CG2-CB 4.18Å; I115-Q118 WeakPolarHBondContact O-CB 3.16Å; I115-Q118 PolarHBondContact O-N 3.28Å; Q118-P127 WeakPolarHBondContact O-CD 3.3Å
119	L	97.4	Very high	97.4	Very high	57 Å²	57	39.1 Å²	39.1	30%	0.298	22%	0.218	S	C	.	.			trans	-80.5	138.2	172.8	-53.6	175.4	0	0	0	109.8	D117 N124 S125 T126	D117-L119 PolarHBondContact O-N 3.1Å; L119-N124 WeakPolarHBondContact CB-OD1 3.42Å; L119-S125 CarbonylContact C-O 3.6Å; L119-S125 WeakPolarHBondContact CA-O 3.39Å; L119-T126 HydrophobicContact CD2-CG2 3.63Å
120	G	95.8	Very high	97.4	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-156.8	168.1	-178.9	0	0	0	0	0	114.6	N90 S125	N90-G120 CarbonylContact O-C 3.47Å; N90-G120 WeakPolarHBondContact O-CA 3.31Å; G120-S125 PolarHBondContact N-O 2.99Å; G120-S125 PolarHBondContact O-N 2.96Å
121	G	94.4	Very high	97.4	Very high	12 Å²	12	39.6 Å²	39.6	12%	0.124	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	178.6	-176	0	0	0	0	0	114.4	E89 N90 L123 N124	E89-G121 WeakPolarHBondContact O-CA 3.45Å; N90-G121 PolarHBondContact O-N 3Å; G121-L123 PolarHBondContact O-N 3.48Å; G121-N124 PolarHBondContact O-N 2.95Å
122	D	93.4	Very high	97.4	Very high	166 Å²	166	35.3 Å²	35.3	89%	0.888	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.4	-178.9	-64.9	-25.2	0	0	0	113.4	N124	D122-N124 VanDerWaalsContact C-N 3.31Å
123	L	93.2	Very high	97.4	Very high	64 Å²	64	33.5 Å²	33.5	34%	0.335	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	13	178	-60	-175.6	0	0	0	112.9	G121 S125 D154 G155 E156	G121-L123 PolarHBondContact O-N 3.48Å; L123-S125 WeakPolarHBondContact CB-OG 3.09Å; L123-S125 PolarHBondContact O-N 3.42Å; L123-S125 PolarHBondContact O-OG 2.93Å; L123-D154 WeakPolarHBondContact O-CB 3.29Å; L123-G155 WeakPolarHBondContact O-CA 3.44Å; L123-G155 PolarHBondContact O-N 3.22Å; L123-E156 HydrophobicContact CD2-CG 3.87Å
124	N	96.2	Very high	97.4	Very high	78 Å²	78	37 Å²	37	42%	0.417	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	41	49	178.1	-165.9	43	0	0	0	112.8	L119 G121 D122	L119-N124 WeakPolarHBondContact CB-OD1 3.42Å; G121-N124 PolarHBondContact O-N 2.95Å; D122-N124 VanDerWaalsContact C-N 3.31Å
125	S	97.8	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-106.4	156.2	-165.3	-72.6	0	0	0	0	110.8	H95 L119 G120 L123 D154	H95-S125 PolarHBondContact NE2-O 3.22Å; L119-S125 CarbonylContact C-O 3.6Å; L119-S125 WeakPolarHBondContact CA-O 3.39Å; G120-S125 PolarHBondContact N-O 2.99Å; G120-S125 PolarHBondContact O-N 2.96Å; L123-S125 WeakPolarHBondContact CB-OG 3.09Å; L123-S125 PolarHBondContact O-N 3.42Å; L123-S125 PolarHBondContact O-OG 2.93Å; S125-D154 WeakPolarHBondContact OG-CB 3.32Å
126	T	98.6	Very high	97.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.			trans	-84	164.4	171.9	64.6	0	0	0	0	111.2	D117 L119 L128 H129 W130 L152	D117-T126 HydrophobicContact CB-CG2 4.21Å; L119-T126 HydrophobicContact CD2-CG2 3.63Å; T126-L128 PolarHBondContact O-N 3.49Å; T126-L128 PolarHBondContact OG1-N 3.01Å; T126-H129 PolarHBondContact N-ND1 2.91Å; T126-H129 WeakPolarHBondContact O-CB 3.36Å; T126-H129 PolarHBondContact O-N 3.38Å; T126-H129 VanDerWaalsContact O-N 3.1Å; T126-H129 PolarHBondContact OG1-N 3.15Å; T126-H129 VanDerWaalsContact OG1-N 3.15Å; T126-H129 PolarHBondContact OG1-ND1 2.87Å; T126-W130 VanDerWaalsContact O-CD1 3.31Å; T126-W130 PolarHBondContact O-N 3.41Å; T126-L152 HydrophobicContact CG2-CB 4.42Å; T126-L152 HydrophobicContact CG2-CD1 3.78Å
127	P	98.7	Very high	97.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-55.2	-31.1	167.6	-26.5	35.5	0	0	0	113.1	L94 H95 A98 V116 Q118 W130 A131 L143	L94-P127 HydrophobicContact CB-CG 4.08Å; L94-P127 HydrophobicContact CD2-CB 4.47Å; L94-P127 HydrophobicContact CD2-CG 3.92Å; L94-P127 HydrophobicContact CG-CB 4.09Å; L94-P127 HydrophobicContact CG-CG 3.82Å; H95-P127 WeakPolarHBondContact NE2-CD 3.47Å; A98-P127 HydrophobicContact CB-CB 3.82Å; A98-P127 WeakPolarHBondContact CB-O 3.24Å; V116-P127 VanDerWaalsContact O-CD 3.29Å; V116-P127 WeakPolarHBondContact O-CD 3.28Å; V116-P127 WeakPolarHBondContact O-CG 3.44Å; Q118-P127 WeakPolarHBondContact O-CD 3.3Å; P127-W130 PolarHBondContact O-N 3.14Å; P127-A131 PolarHBondContact O-N 3.31Å; P127-L143 HydrophobicContact CB-CD1 4.18Å; P127-L143 HydrophobicContact CB-CD2 4.39Å
128	L	98.8	Very high	97.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68.7	-39.5	176.8	-173.4	65.1	0	0	0	112.1	T126 W130 A131 T132 V140 L143 M144 A148 P150 C160	T126-L128 PolarHBondContact O-N 3.49Å; T126-L128 PolarHBondContact OG1-N 3.01Å; L128-W130 VanDerWaalsContact C-N 3.33Å; L128-W130 PolarHBondContact O-N 3.32Å; L128-A131 PolarHBondContact O-N 3.45Å; L128-T132 VanDerWaalsContact O-CB 3.28Å; L128-T132 WeakPolarHBondContact O-CB 3.45Å; L128-T132 PolarHBondContact O-N 3.36Å; L128-T132 PolarHBondContact O-OG1 3.33Å; L128-V140 HydrophobicContact CD1-CB 4.15Å; L128-V140 HydrophobicContact CD1-CG1 4Å; L128-V140 HydrophobicContact CD1-CG2 4.12Å; L128-L143 HydrophobicContact CB-CD1 4.29Å; L128-L143 HydrophobicContact CD1-CB 3.95Å; L128-L143 HydrophobicContact CD1-CD1 4.19Å; L128-M144 HydrophobicContact CD1-CG 4.16Å; L128-M144 HydrophobicContact CD2-CG 4.07Å; L128-A148 HydrophobicContact CB-CB 4.2Å; L128-A148 HydrophobicContact CD2-CB 3.85Å; L128-A148 HydrophobicContact CG-CB 4.44Å; L128-P150 HydrophobicContact CD2-CB 3.87Å; L128-C160 VanDerWaalsContact CG-SG 3.59Å
129	H	98.8	Very high	97.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-45.1	170.8	-69.5	137.3	0	0	0	111.2	T126 T132 R133 L152 C160 L163	T126-H129 PolarHBondContact N-ND1 2.91Å; T126-H129 WeakPolarHBondContact O-CB 3.36Å; T126-H129 PolarHBondContact O-N 3.38Å; T126-H129 VanDerWaalsContact O-N 3.1Å; T126-H129 PolarHBondContact OG1-N 3.15Å; T126-H129 VanDerWaalsContact OG1-N 3.15Å; T126-H129 PolarHBondContact OG1-ND1 2.87Å; H129-T132 PolarHBondContact O-N 3.41Å; H129-R133 WeakPolarHBondContact O-CG 3.39Å; H129-R133 PolarHBondContact O-N 3.19Å; H129-L152 PolarHBondContact CE1-O 3.47Å; H129-L152 PolarHBondContact NE2-O 3.46Å; H129-C160 PolarHBondContact CD2-SG 3.43Å; H129-L163 HydrophobicContact CB-CD1 3.92Å
130	W	98.4	Very high	97.2	Very high	39 Å²	39	30.9 Å²	30.9	15%	0.148	17%	0.166	C	C	.	.	H	α-helix	trans	-63.1	-46.6	180	-76.5	43.1	0	0	0	111.9	V91 H95 W96 I99 T126 P127 L128 T132 R133 Q134	V91-W130 HydrophobicContact CB-CH2 4.39Å; V91-W130 HydrophobicContact CG1-CH2 3.66Å; V91-W130 HydrophobicContact CG1-CZ2 4.33Å; V91-W130 HydrophobicContact CG1-CZ3 3.86Å; V91-W130 HydrophobicContact CG2-CH2 3.71Å; V91-W130 HydrophobicContact CG2-CZ2 4.07Å; H95-W130 HydrophobicContact CB-CD2 4.14Å; H95-W130 HydrophobicContact CB-CE3 3.86Å; H95-W130 HydrophobicContact CB-CZ3 4.16Å; H95-W130 AromaticContact CD2-CE2 3.98Å; H95-W130 AromaticContact CD2-NE1 3.89Å; W96-W130 HydrophobicContact CE3-CZ3 4.29Å; W96-W130 HydrophobicContact CZ3-CZ3 4.28Å; I99-W130 HydrophobicContact CB-CB 4.13Å; I99-W130 HydrophobicContact CB-CD2 4.49Å; I99-W130 HydrophobicContact CB-CE3 3.7Å; I99-W130 HydrophobicContact CD1-CD2 4.16Å; I99-W130 HydrophobicContact CD1-CE3 3.56Å; I99-W130 HydrophobicContact CD1-CZ3 3.98Å; I99-W130 HydrophobicContact CG1-CB 4.47Å; I99-W130 HydrophobicContact CG1-CE3 4.15Å; I99-W130 HydrophobicContact CG2-CE3 3.78Å; I99-W130 HydrophobicContact CG2-CZ3 4.16Å; T126-W130 VanDerWaalsContact O-CD1 3.31Å; T126-W130 PolarHBondContact O-N 3.41Å; P127-W130 PolarHBondContact O-N 3.14Å; L128-W130 VanDerWaalsContact C-N 3.33Å; L128-W130 PolarHBondContact O-N 3.32Å; W130-T132 VanDerWaalsContact C-N 3.29Å; W130-T132 PolarHBondContact O-N 2.87Å; W130-R133 PolarHBondContact O-N 2.8Å; W130-Q134 PolarHBondContact O-N 3.41Å
131	A	98.7	Very high	97.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.3	-37.6	174.3	0	0	0	0	0	112.5	A98 P127 L128 Q134 G135 H136 M139 V140 L143	A98-A131 HydrophobicContact CB-CB 4.35Å; P127-A131 PolarHBondContact O-N 3.31Å; L128-A131 PolarHBondContact O-N 3.45Å; A131-Q134 PolarHBondContact O-N 3.48Å; A131-G135 PolarHBondContact O-N 3.31Å; A131-H136 PolarHBondContact O-N 3.45Å; A131-H136 VanDerWaalsContact O-N 3.07Å; A131-M139 HydrophobicContact CB-CB 3.98Å; A131-M139 HydrophobicContact CB-CG 3.63Å; A131-V140 HydrophobicContact CB-CG2 4.12Å; A131-L143 HydrophobicContact CB-CD1 4.13Å
132	T	98.7	Very high	97.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.7	-44.7	179.5	-62.7	0	0	0	0	111.9	L128 H129 W130 Q134 G135 C160 L163 A164 H169 I172	L128-T132 VanDerWaalsContact O-CB 3.28Å; L128-T132 WeakPolarHBondContact O-CB 3.45Å; L128-T132 PolarHBondContact O-N 3.36Å; L128-T132 PolarHBondContact O-OG1 3.33Å; H129-T132 PolarHBondContact O-N 3.41Å; W130-T132 VanDerWaalsContact C-N 3.29Å; W130-T132 PolarHBondContact O-N 2.87Å; T132-Q134 PolarHBondContact O-N 2.72Å; T132-G135 PolarHBondContact O-N 3.06Å; T132-C160 HydrophobicContact CG2-CB 4.34Å; T132-C160 WeakPolarHBondContact CG2-O 3.39Å; T132-L163 HydrophobicContact CG2-CB 3.9Å; T132-A164 HydrophobicContact CG2-CB 3.86Å; T132-H169 PolarHBondContact O-CD2 3.14Å; T132-I172 HydrophobicContact CG2-CG2 4.13Å
133	R	97.5	Very high	97.7	Very high	43 Å²	43	24.4 Å²	24.4	16%	0.162	13%	0.128	C	C	.	.	H	α-helix	trans	-58.2	-35.2	176.7	-71.6	177.6	179.8	-94.7	3.8	112.1	H129 W130 D154 E156 L163 F167 H169	H129-R133 WeakPolarHBondContact O-CG 3.39Å; H129-R133 PolarHBondContact O-N 3.19Å; W130-R133 PolarHBondContact O-N 2.8Å; R133-D154 IonicContact CZ-OD2 3.44Å; R133-D154 IonicContact NE-OD2 3.21Å; R133-D154 IonicContact NH2-OD2 2.71Å; R133-D154 PolarHBondContact NH2-OD2 3.38Å; R133-E156 IonicContact CZ-OE2 3.56Å; R133-E156 IonicContact NH1-OE2 2.86Å; R133-E156 PolarHBondContact NH1-OE2 3.47Å; R133-E156 IonicContact NH2-OE2 2.74Å; R133-E156 PolarHBondContact NH2-OE2 2.88Å; R133-L163 HydrophobicContact CG-CD1 4.02Å; R133-L163 HydrophobicContact CG-CD2 4.47Å; R133-L163 VanDerWaalsContact CZ-CD2 3.47Å; R133-L163 VanDerWaalsContact NH2-CD2 3.34Å; R133-F167 HydrophobicContact CB-CE2 4.43Å; R133-F167 HydrophobicContact CG-CD2 4.32Å; R133-F167 HydrophobicContact CG-CE2 3.91Å; R133-H169 PolarHBondContact O-NE2 3.39Å
134	Q	97.6	Very high	98	Very high	98 Å²	98	23 Å²	23	46%	0.458	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.2	178.1	-60.4	-58.5	-20.2	0	0	114.8	I99 W130 A131 T132 H136	I99-Q134 HydrophobicContact CD1-CG 4.37Å; I99-Q134 HydrophobicContact CG1-CG 3.46Å; I99-Q134 VanDerWaalsContact CG1-CG 3.46Å; W130-Q134 PolarHBondContact O-N 3.41Å; A131-Q134 PolarHBondContact O-N 3.48Å; T132-Q134 PolarHBondContact O-N 2.72Å; Q134-H136 VanDerWaalsContact C-N 3.29Å; Q134-H136 PolarHBondContact O-N 2.93Å; Q134-H136 PolarHBondContact O-ND1 3.49Å
135	G	96.5	Very high	98.1	Very high	22 Å²	22	24.3 Å²	24.3	23%	0.227	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	18.5	179.1	0	0	0	0	0	114.4	A131 T132 L137 H169	A131-G135 PolarHBondContact O-N 3.31Å; T132-G135 PolarHBondContact O-N 3.06Å; G135-L137 VanDerWaalsContact C-N 3.34Å; G135-L137 PolarHBondContact O-N 3.44Å; G135-H169 WeakPolarHBondContact CA-CE1 3.36Å; G135-H169 VanDerWaalsContact CA-CG 3.47Å; G135-H169 VanDerWaalsContact CA-ND1 3.33Å; G135-H169 WeakPolarHBondContact CA-ND1 3.41Å; G135-H169 WeakPolarHBondContact CA-NE2 3.22Å; G135-H169 PolarHBondContact N-CE1 2.89Å; G135-H169 PolarHBondContact N-NE2 3.02Å
136	H	97.5	Very high	98.1	Very high	48 Å²	48	28.5 Å²	28.5	22%	0.222	14%	0.138	C	C	.	.			trans	-80.3	75.7	-177.2	-64.2	-22.7	0	0	0	111.9	I99 N101 A131 Q134 S138 M139 V140	I99-H136 PolarHBondContact O-CD2 3.41Å; I99-H136 PolarHBondContact O-NE2 3.06Å; I99-H136 VanDerWaalsContact O-NE2 3.17Å; N101-H136 HydrophobicContact CB-CB 4.45Å; A131-H136 PolarHBondContact O-N 3.45Å; A131-H136 VanDerWaalsContact O-N 3.07Å; Q134-H136 VanDerWaalsContact C-N 3.29Å; Q134-H136 PolarHBondContact O-N 2.93Å; Q134-H136 PolarHBondContact O-ND1 3.49Å; H136-S138 VanDerWaalsContact C-N 3.26Å; H136-S138 PolarHBondContact O-N 3.32Å; H136-M139 HydrophobicContact CB-CB 3.84Å; H136-M139 WeakPolarHBondContact O-CB 3.33Å; H136-M139 PolarHBondContact O-N 3.49Å; H136-V140 PolarHBondContact O-N 2.88Å
137	L	96.7	Very high	98.1	Very high	23 Å²	23	31.1 Å²	31.1	12%	0.12	17%	0.165	C	C	.	.	H	α-helix	trans	-51.5	-43.1	179.8	177.8	66.9	0	0	0	112.9	G135 M139 V140 V141 I172 Y175 A428 L433	G135-L137 VanDerWaalsContact C-N 3.34Å; G135-L137 PolarHBondContact O-N 3.44Å; L137-M139 VanDerWaalsContact C-N 3.27Å; L137-M139 PolarHBondContact O-N 3.27Å; L137-V140 PolarHBondContact O-N 2.95Å; L137-V141 HydrophobicContact CD1-CG2 4.23Å; L137-V141 HydrophobicContact CG-CG2 4.36Å; L137-V141 WeakPolarHBondContact O-CB 3.45Å; L137-V141 VanDerWaalsContact O-CG2 3.27Å; L137-V141 WeakPolarHBondContact O-CG2 3.4Å; L137-V141 PolarHBondContact O-N 3.46Å; L137-I172 HydrophobicContact CB-CG1 4.15Å; L137-I172 HydrophobicContact CD1-CG1 3.98Å; L137-Y175 HydrophobicContact CD1-CD1 4.38Å; L137-Y175 HydrophobicContact CD1-CG 4.21Å; L137-A428 HydrophobicContact CD1-CB 4.32Å; L137-A428 HydrophobicContact CD2-CB 4.17Å; L137-L433 HydrophobicContact CD2-CB 4.07Å; L137-L433 HydrophobicContact CD2-CD2 4.03Å
138	S	96.9	Very high	98.1	Very high	56 Å²	56	31.4 Å²	31.4	39%	0.392	17%	0.168	S	C	.	.	H	α-helix	trans	-59	-38.8	178	50.5	0	0	0	0	112.6	N101 H136 Q142	N101-S138 PolarHBondContact OD1-OG 2.88Å; H136-S138 VanDerWaalsContact C-N 3.26Å; H136-S138 PolarHBondContact O-N 3.32Å; S138-Q142 WeakPolarHBondContact O-CB 3.42Å; S138-Q142 PolarHBondContact O-N 2.84Å; S138-Q142 VanDerWaalsContact O-N 3.07Å
139	M	98.5	Very high	98	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-73.8	-42.9	177.7	-174	59.1	75.4	0	0	111.5	A98 N101 I103 V106 A131 H136 L137 V141 Q142 L143	A98-M139 HydrophobicContact CB-CG 4.18Å; N101-M139 VanDerWaalsContact C-CE 3.45Å; I103-M139 HydrophobicContact CB-CE 4.49Å; I103-M139 HydrophobicContact CD1-CB 4.07Å; I103-M139 HydrophobicContact CD1-CE 3.55Å; I103-M139 HydrophobicContact CD1-SD 3.79Å; I103-M139 HydrophobicContact CG1-CE 4.02Å; V106-M139 HydrophobicContact CB-CE 4.31Å; V106-M139 HydrophobicContact CB-SD 4.07Å; V106-M139 HydrophobicContact CG1-SD 4.11Å; V106-M139 HydrophobicContact CG2-CE 3.6Å; V106-M139 HydrophobicContact CG2-SD 3.55Å; V106-M139 VanDerWaalsContact CG2-SD 3.55Å; A131-M139 HydrophobicContact CB-CB 3.98Å; A131-M139 HydrophobicContact CB-CG 3.63Å; H136-M139 HydrophobicContact CB-CB 3.84Å; H136-M139 WeakPolarHBondContact O-CB 3.33Å; H136-M139 PolarHBondContact O-N 3.49Å; L137-M139 VanDerWaalsContact C-N 3.27Å; L137-M139 PolarHBondContact O-N 3.27Å; M139-V141 VanDerWaalsContact C-N 3.3Å; M139-V141 PolarHBondContact O-N 2.88Å; M139-Q142 PolarHBondContact O-N 3.1Å; M139-Q142 VanDerWaalsContact O-N 3.1Å; M139-L143 HydrophobicContact CG-CD1 3.91Å; M139-L143 HydrophobicContact CG-CG 4.31Å; M139-L143 WeakPolarHBondContact O-CB 3.47Å; M139-L143 WeakPolarHBondContact O-CG 3.41Å; M139-L143 PolarHBondContact O-N 2.87Å; M139-L143 HydrophobicContact SD-CD1 4.32Å; M139-L143 HydrophobicContact SD-CG 4.17Å
140	V	98.7	Very high	98	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-54.9	-48.4	173.6	167	0	0	0	0	110.7	L128 A131 H136 L137 Q142 M144 I172 Y175	L128-V140 HydrophobicContact CD1-CB 4.15Å; L128-V140 HydrophobicContact CD1-CG1 4Å; L128-V140 HydrophobicContact CD1-CG2 4.12Å; A131-V140 HydrophobicContact CB-CG2 4.12Å; H136-V140 PolarHBondContact O-N 2.88Å; L137-V140 PolarHBondContact O-N 2.95Å; V140-Q142 PolarHBondContact O-N 2.75Å; V140-M144 HydrophobicContact CG1-SD 4.17Å; V140-M144 WeakPolarHBondContact O-CB 3.26Å; V140-M144 WeakPolarHBondContact O-CG 3.12Å; V140-M144 PolarHBondContact O-N 2.74Å; V140-I172 HydrophobicContact CG1-CG2 4.25Å; V140-I172 HydrophobicContact CG2-CD1 3.95Å; V140-I172 HydrophobicContact CG2-CG1 4.38Å; V140-I172 HydrophobicContact CG2-CG2 4.42Å; V140-Y175 HydrophobicContact CG1-CD1 4.05Å; V140-Y175 HydrophobicContact CG1-CE1 4.22Å
141	V	98.2	Very high	98	Very high	6 Å²	6	35.2 Å²	35.2	4%	0.036	20%	0.195	C	C	.	.	H	α-helix	trans	-56.6	-49.3	174.6	166	0	0	0	0	111	L137 M139 M144 K145 Y175 A428 E429	L137-V141 HydrophobicContact CD1-CG2 4.23Å; L137-V141 HydrophobicContact CG-CG2 4.36Å; L137-V141 WeakPolarHBondContact O-CB 3.45Å; L137-V141 VanDerWaalsContact O-CG2 3.27Å; L137-V141 WeakPolarHBondContact O-CG2 3.4Å; L137-V141 PolarHBondContact O-N 3.46Å; M139-V141 VanDerWaalsContact C-N 3.3Å; M139-V141 PolarHBondContact O-N 2.88Å; V141-M144 PolarHBondContact O-N 3.39Å; V141-K145 HydrophobicContact CG1-CD 4.17Å; V141-K145 WeakPolarHBondContact O-CG 3.48Å; V141-K145 PolarHBondContact O-N 2.92Å; V141-Y175 HydrophobicContact CB-CE1 4.46Å; V141-Y175 HydrophobicContact CG2-CD1 4.24Å; V141-Y175 HydrophobicContact CG2-CD2 4.38Å; V141-Y175 HydrophobicContact CG2-CE1 3.79Å; V141-Y175 HydrophobicContact CG2-CE2 3.95Å; V141-Y175 HydrophobicContact CG2-CG 4.5Å; V141-A428 HydrophobicContact CG2-CB 4.1Å; V141-E429 HydrophobicContact CG1-CB 4.41Å; V141-E429 HydrophobicContact CG1-CG 3.89Å
142	Q	98.1	Very high	98	Very high	36 Å²	36	38 Å²	38	17%	0.168	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-45	-176.1	-171.5	64.3	47.1	0	0	112.2	I103 S138 M139 V140 K145 Y146	I103-Q142 HydrophobicContact CD1-CB 4.17Å; I103-Q142 HydrophobicContact CG2-CG 4.43Å; S138-Q142 WeakPolarHBondContact O-CB 3.42Å; S138-Q142 PolarHBondContact O-N 2.84Å; S138-Q142 VanDerWaalsContact O-N 3.07Å; M139-Q142 PolarHBondContact O-N 3.1Å; M139-Q142 VanDerWaalsContact O-N 3.1Å; V140-Q142 PolarHBondContact O-N 2.75Å; Q142-K145 WeakPolarHBondContact O-CB 3.42Å; Q142-K145 PolarHBondContact O-N 3.49Å; Q142-Y146 HydrophobicContact CG-CD2 4.16Å; Q142-Y146 HydrophobicContact CG-CE2 3.93Å; Q142-Y146 WeakPolarHBondContact O-CD2 3.34Å; Q142-Y146 PolarHBondContact O-N 2.89Å
143	L	98.7	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-43.9	177.9	-73.5	170.1	0	0	0	111.4	A98 V106 P127 L128 A131 M139 K145 Y146 G147 A148	A98-L143 HydrophobicContact CB-CD1 4.04Å; V106-L143 HydrophobicContact CG1-CD2 3.81Å; V106-L143 HydrophobicContact CG1-CG 4.49Å; P127-L143 HydrophobicContact CB-CD1 4.18Å; P127-L143 HydrophobicContact CB-CD2 4.39Å; L128-L143 HydrophobicContact CB-CD1 4.29Å; L128-L143 HydrophobicContact CD1-CB 3.95Å; L128-L143 HydrophobicContact CD1-CD1 4.19Å; A131-L143 HydrophobicContact CB-CD1 4.13Å; M139-L143 HydrophobicContact CG-CD1 3.91Å; M139-L143 HydrophobicContact CG-CG 4.31Å; M139-L143 WeakPolarHBondContact O-CB 3.47Å; M139-L143 WeakPolarHBondContact O-CG 3.41Å; M139-L143 PolarHBondContact O-N 2.87Å; M139-L143 HydrophobicContact SD-CD1 4.32Å; M139-L143 HydrophobicContact SD-CG 4.17Å; L143-K145 VanDerWaalsContact C-N 3.31Å; L143-K145 PolarHBondContact O-N 3.34Å; L143-Y146 CarbonylContact O-C 3.33Å; L143-Y146 WeakPolarHBondContact O-CA 3.34Å; L143-Y146 WeakPolarHBondContact O-CB 3.5Å; L143-Y146 PolarHBondContact O-N 2.87Å; L143-G147 PolarHBondContact O-N 3.48Å; L143-A148 VanDerWaalsContact C-CB 3.5Å; L143-A148 HydrophobicContact CB-CB 3.93Å; L143-A148 VanDerWaalsContact O-CB 3.27Å; L143-A148 WeakPolarHBondContact O-CB 3.48Å; L143-A148 PolarHBondContact O-N 3.06Å
144	M	98.6	Very high	97.9	Very high	35 Å²	35	40.2 Å²	40.2	17%	0.172	22%	0.224	C	C	.	.	H	α-helix	trans	-65.1	-32.1	175	-71	-175.9	70	0	0	112.7	L128 V140 V141 Y146 G147 P150 Y175 L176 K179	L128-M144 HydrophobicContact CD1-CG 4.16Å; L128-M144 HydrophobicContact CD2-CG 4.07Å; V140-M144 HydrophobicContact CG1-SD 4.17Å; V140-M144 WeakPolarHBondContact O-CB 3.26Å; V140-M144 WeakPolarHBondContact O-CG 3.12Å; V140-M144 PolarHBondContact O-N 2.74Å; V141-M144 PolarHBondContact O-N 3.39Å; M144-Y146 PolarHBondContact O-N 2.76Å; M144-G147 PolarHBondContact O-N 2.78Å; M144-P150 HydrophobicContact CE-CB 4.45Å; M144-P150 HydrophobicContact CE-CG 3.79Å; M144-P150 HydrophobicContact SD-CB 4.49Å; M144-P150 HydrophobicContact SD-CG 4.44Å; M144-Y175 HydrophobicContact CE-CE1 4.41Å; M144-Y175 HydrophobicContact SD-CD1 4.14Å; M144-Y175 HydrophobicContact SD-CE1 3.54Å; M144-Y175 VanDerWaalsContact SD-CE1 3.54Å; M144-L176 HydrophobicContact CE-CD2 4.3Å; M144-L176 HydrophobicContact SD-CD2 3.7Å; M144-K179 HydrophobicContact CE-CB 3.86Å; M144-K179 HydrophobicContact CE-CG 3.96Å
145	K	97.7	Very high	97.9	Very high	104 Å²	104	38 Å²	38	45%	0.452	23%	0.227	S	C	.	.	H	α-helix	trans	-64	-26.7	170.6	-78.3	179.6	177.7	-174.8	0	112.6	V141 Q142 L143 G147 E429	V141-K145 HydrophobicContact CG1-CD 4.17Å; V141-K145 WeakPolarHBondContact O-CG 3.48Å; V141-K145 PolarHBondContact O-N 2.92Å; Q142-K145 WeakPolarHBondContact O-CB 3.42Å; Q142-K145 PolarHBondContact O-N 3.49Å; L143-K145 VanDerWaalsContact C-N 3.31Å; L143-K145 PolarHBondContact O-N 3.34Å; K145-G147 VanDerWaalsContact C-N 3.3Å; K145-E429 VanDerWaalsContact CE-CD 3.42Å; K145-E429 WeakPolarHBondContact CE-OE2 3.37Å; K145-E429 IonicContact NZ-OE2 3.85Å; K145-E429 PolarHBondContact NZ-OE2 3.37Å; K145-E429 VanDerWaalsContact NZ-OE2 3.11Å
146	Y	98.2	Very high	97.9	Very high	88 Å²	88	41.1 Å²	41.1	35%	0.345	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	9.3	172	-72.9	-62	0	0	0	113.7	K107 I110 Q142 L143 M144	K107-Y146 HydrophobicContact CB-CE2 4.49Å; K107-Y146 HydrophobicContact CG-CE2 4.03Å; K107-Y146 WeakPolarHBondContact CG-OH 3.42Å; I110-Y146 HydrophobicContact CD1-CD1 4.3Å; I110-Y146 HydrophobicContact CD1-CD2 3.33Å; I110-Y146 HydrophobicContact CD1-CE2 3.88Å; I110-Y146 HydrophobicContact CD1-CG 3.57Å; I110-Y146 HydrophobicContact CG2-CD1 3.8Å; I110-Y146 HydrophobicContact CG2-CE1 4.09Å; I110-Y146 HydrophobicContact CG2-CG 4.13Å; Q142-Y146 HydrophobicContact CG-CD2 4.16Å; Q142-Y146 HydrophobicContact CG-CE2 3.93Å; Q142-Y146 WeakPolarHBondContact O-CD2 3.34Å; Q142-Y146 PolarHBondContact O-N 2.89Å; L143-Y146 CarbonylContact O-C 3.33Å; L143-Y146 WeakPolarHBondContact O-CA 3.34Å; L143-Y146 WeakPolarHBondContact O-CB 3.5Å; L143-Y146 PolarHBondContact O-N 2.87Å; M144-Y146 PolarHBondContact O-N 2.76Å
147	G	97.9	Very high	97.9	Very high	55 Å²	55	38.8 Å²	38.8	57%	0.567	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.8	12.9	174.3	0	0	0	0	0	115.3	L143 M144 K145 D149	L143-G147 PolarHBondContact O-N 3.48Å; M144-G147 PolarHBondContact O-N 2.78Å; K145-G147 VanDerWaalsContact C-N 3.3Å; G147-D149 PolarHBondContact O-N 3.26Å
148	A	98.6	Very high	97.9	Very high	6 Å²	6	37.8 Å²	37.8	5%	0.05	22%	0.22	C	C	.	.			trans	-57.4	129.2	173.6	0	0	0	0	0	111	V116 D117 L128 L143 P150	V116-A148 HydrophobicContact CG1-CB 3.48Å; V116-A148 VanDerWaalsContact CG1-CB 3.48Å; D117-A148 WeakPolarHBondContact OD1-CA 3.37Å; L128-A148 HydrophobicContact CB-CB 4.2Å; L128-A148 HydrophobicContact CD2-CB 3.85Å; L128-A148 HydrophobicContact CG-CB 4.44Å; L143-A148 VanDerWaalsContact C-CB 3.5Å; L143-A148 HydrophobicContact CB-CB 3.93Å; L143-A148 VanDerWaalsContact O-CB 3.27Å; L143-A148 WeakPolarHBondContact O-CB 3.48Å; L143-A148 PolarHBondContact O-N 3.06Å; A148-P150 VanDerWaalsContact O-CD 3.25Å; A148-P150 WeakPolarHBondContact O-CD 3.43Å
149	D	98.5	Very high	98	Very high	60 Å²	60	35.1 Å²	35.1	32%	0.321	20%	0.201	S	C	.	.			trans	-87.2	108.5	179	-176.6	-0.9	0	0	0	111.4	D117 G147 S151 L152	D117-D149 PolarHBondContact OD1-N 3.35Å; D117-D149 PolarHBondContact OD2-N 2.9Å; G147-D149 PolarHBondContact O-N 3.26Å; D149-S151 VanDerWaalsContact CG-OG 3.24Å; D149-S151 PolarHBondContact O-N 3.39Å; D149-S151 VanDerWaalsContact OD1-CB 3.3Å; D149-S151 WeakPolarHBondContact OD1-CB 3.48Å; D149-S151 PolarHBondContact OD1-N 3.44Å; D149-S151 PolarHBondContact OD1-OG 2.92Å; D149-S151 PolarHBondContact OD2-OG 3.39Å; D149-S151 VanDerWaalsContact OD2-OG 3.12Å; D149-L152 HydrophobicContact CB-CD1 4.09Å; D149-L152 HydrophobicContact CB-CG 3.96Å
150	P	98.4	Very high	98	Very high	9 Å²	9	35.1 Å²	35.1	6%	0.058	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-9.4	178.8	32.1	-38.9	0	0	0	114.5	L128 M144 A148 C160 L176 Q181	L128-P150 HydrophobicContact CD2-CB 3.87Å; M144-P150 HydrophobicContact CE-CB 4.45Å; M144-P150 HydrophobicContact CE-CG 3.79Å; M144-P150 HydrophobicContact SD-CB 4.49Å; M144-P150 HydrophobicContact SD-CG 4.44Å; A148-P150 VanDerWaalsContact O-CD 3.25Å; A148-P150 WeakPolarHBondContact O-CD 3.43Å; P150-C160 HydrophobicContact CB-CB 4.12Å; P150-C160 PolarHBondContact O-N 2.84Å; P150-L176 HydrophobicContact CB-CD2 3.63Å; P150-L176 HydrophobicContact CG-CD2 4.27Å; P150-Q181 HydrophobicContact CB-CG 4.34Å; P150-Q181 HydrophobicContact CG-CG 3.98Å
151	S	98	Very high	98	Very high	50 Å²	50	35.1 Å²	35.1	35%	0.35	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-12.6	-178.1	75.7	0	0	0	0	113.8	D149	D149-S151 VanDerWaalsContact CG-OG 3.24Å; D149-S151 PolarHBondContact O-N 3.39Å; D149-S151 VanDerWaalsContact OD1-CB 3.3Å; D149-S151 WeakPolarHBondContact OD1-CB 3.48Å; D149-S151 PolarHBondContact OD1-N 3.44Å; D149-S151 PolarHBondContact OD1-OG 2.92Å; D149-S151 PolarHBondContact OD2-OG 3.39Å; D149-S151 VanDerWaalsContact OD2-OG 3.12Å
152	L	98.1	Very high	98	Very high	58 Å²	58	34.9 Å²	34.9	30%	0.304	20%	0.2	S	C	.	.			trans	-57.1	147.2	171.4	-63.9	176.2	0	0	0	110	D117 T126 H129 D149 S159	D117-L152 HydrophobicContact CB-CD1 3.66Å; T126-L152 HydrophobicContact CG2-CB 4.42Å; T126-L152 HydrophobicContact CG2-CD1 3.78Å; H129-L152 PolarHBondContact CE1-O 3.47Å; H129-L152 PolarHBondContact NE2-O 3.46Å; D149-L152 HydrophobicContact CB-CD1 4.09Å; D149-L152 HydrophobicContact CB-CG 3.96Å; L152-S159 VanDerWaalsContact O-CA 3.24Å; L152-S159 WeakPolarHBondContact O-CA 3.31Å; L152-S159 VanDerWaalsContact O-CB 3.25Å; L152-S159 WeakPolarHBondContact O-CB 3.22Å
153	I	97.6	Very high	98	Very high	86 Å²	86	33.2 Å²	33.2	44%	0.441	19%	0.192	S	C	.	.			trans	-106.2	141.7	178.4	56.7	173.6	0	0	0	110	C158	I153-C158 WeakPolarHBondContact CA-O 3.11Å
154	D	97.8	Very high	98	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.027	19%	0.192	C	C	.	.			trans	-82.7	-177.4	170.2	66.8	16.7	0	0	0	112.5	L123 S125 R133 E156 G157 C158	L123-D154 WeakPolarHBondContact O-CB 3.29Å; S125-D154 WeakPolarHBondContact OG-CB 3.32Å; R133-D154 IonicContact CZ-OD2 3.44Å; R133-D154 IonicContact NE-OD2 3.21Å; R133-D154 IonicContact NH2-OD2 2.71Å; R133-D154 PolarHBondContact NH2-OD2 3.38Å; D154-E156 PolarHBondContact O-N 2.9Å; D154-E156 WeakPolarHBondContact OD1-CA 3.45Å; D154-E156 WeakPolarHBondContact OD1-CB 3.21Å; D154-E156 PolarHBondContact OD1-N 3.5Å; D154-G157 WeakPolarHBondContact O-CA 3.28Å; D154-G157 PolarHBondContact O-N 3.12Å; D154-G157 PolarHBondContact OD1-N 3.45Å; D154-C158 PolarHBondContact N-O 2.85Å; D154-C158 PolarHBondContact OD1-N 3.43Å
155	G	97	Very high	97.9	Very high	50 Å²	50	31.5 Å²	31.5	52%	0.515	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-11.9	178.4	0	0	0	0	0	114.6	L123 G157	L123-G155 WeakPolarHBondContact O-CA 3.44Å; L123-G155 PolarHBondContact O-N 3.22Å; G155-G157 VanDerWaalsContact C-N 3.28Å
156	E	95.5	Very high	97.8	Very high	88 Å²	88	27.2 Å²	27.2	41%	0.411	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	1.4	167.8	-55.7	-170.3	125.4	0	0	111.6	L123 R133 D154 C158	L123-E156 HydrophobicContact CD2-CG 3.87Å; R133-E156 IonicContact CZ-OE2 3.56Å; R133-E156 IonicContact NH1-OE2 2.86Å; R133-E156 PolarHBondContact NH1-OE2 3.47Å; R133-E156 IonicContact NH2-OE2 2.74Å; R133-E156 PolarHBondContact NH2-OE2 2.88Å; D154-E156 PolarHBondContact O-N 2.9Å; D154-E156 WeakPolarHBondContact OD1-CA 3.45Å; D154-E156 WeakPolarHBondContact OD1-CB 3.21Å; D154-E156 PolarHBondContact OD1-N 3.5Å; E156-C158 VanDerWaalsContact C-N 3.32Å
157	G	97.3	Very high	97.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	80.3	9.6	-178	0	0	0	0	0	114	D154 G155 D187 Q188	D154-G157 WeakPolarHBondContact O-CA 3.28Å; D154-G157 PolarHBondContact O-N 3.12Å; D154-G157 PolarHBondContact OD1-N 3.45Å; G155-G157 VanDerWaalsContact C-N 3.28Å; G157-D187 VanDerWaalsContact O-CB 3.28Å; G157-D187 WeakPolarHBondContact O-CB 3.15Å; G157-Q188 PolarHBondContact O-N 3.36Å
158	C	98.2	Very high	97.6	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.014	15%	0.149	C	C	.	.			trans	-98.5	132.8	-172.9	-72.8	0	0	0	0	111.8	I153 D154 E156 H162 L163	I153-C158 WeakPolarHBondContact CA-O 3.11Å; D154-C158 PolarHBondContact N-O 2.85Å; D154-C158 PolarHBondContact OD1-N 3.43Å; E156-C158 VanDerWaalsContact C-N 3.32Å; C158-H162 HydrophobicContact CB-CB 4.1Å; C158-L163 HydrophobicContact CB-CD2 3.67Å; C158-L163 HydrophobicContact CB-CG 4.05Å
159	S	98.4	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.156	C	C	.	.			trans	-87.7	172.2	164.7	75.4	0	0	0	0	112.4	L152 I161 H162 L163 M185	L152-S159 VanDerWaalsContact O-CA 3.24Å; L152-S159 WeakPolarHBondContact O-CA 3.31Å; L152-S159 VanDerWaalsContact O-CB 3.25Å; L152-S159 WeakPolarHBondContact O-CB 3.22Å; S159-I161 VanDerWaalsContact C-N 3.27Å; S159-I161 PolarHBondContact O-N 3.06Å; S159-I161 VanDerWaalsContact O-N 3.16Å; S159-H162 PolarHBondContact N-ND1 2.93Å; S159-H162 WeakPolarHBondContact O-CB 3.38Å; S159-H162 PolarHBondContact O-N 3.01Å; S159-H162 PolarHBondContact OG-CE1 3.2Å; S159-H162 VanDerWaalsContact OG-CE1 3.24Å; S159-H162 PolarHBondContact OG-ND1 3.4Å; S159-L163 PolarHBondContact O-N 3.45Å; S159-L163 VanDerWaalsContact O-N 3.15Å; S159-M185 PolarHBondContact OG-SD 3.37Å
160	C	98.7	Very high	97.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.7	-34.7	-174.2	-70.6	0	0	0	0	113.9	L128 H129 T132 P150 H162 L163 A164 L176	L128-C160 VanDerWaalsContact CG-SG 3.59Å; H129-C160 PolarHBondContact CD2-SG 3.43Å; T132-C160 HydrophobicContact CG2-CB 4.34Å; T132-C160 WeakPolarHBondContact CG2-O 3.39Å; P150-C160 HydrophobicContact CB-CB 4.12Å; P150-C160 PolarHBondContact O-N 2.84Å; C160-H162 VanDerWaalsContact C-N 3.34Å; C160-H162 PolarHBondContact O-N 2.94Å; C160-L163 PolarHBondContact O-N 3.08Å; C160-A164 VanDerWaalsContact O-CB 3.29Å; C160-A164 WeakPolarHBondContact O-CB 3.38Å; C160-A164 PolarHBondContact O-N 3.31Å; C160-L176 HydrophobicContact CB-CD1 3.81Å
161	I	98.4	Very high	96.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67.9	-35	178.9	-167.1	172.5	0	0	0	112	S159 A165 L176 I177 Q181 M185 P193	S159-I161 VanDerWaalsContact C-N 3.27Å; S159-I161 PolarHBondContact O-N 3.06Å; S159-I161 VanDerWaalsContact O-N 3.16Å; I161-A165 WeakPolarHBondContact O-CB 3.41Å; I161-A165 PolarHBondContact O-N 3.16Å; I161-L176 HydrophobicContact CB-CD1 4.08Å; I161-I177 HydrophobicContact CD1-CD1 4.31Å; I161-I177 HydrophobicContact CD1-CG1 3.7Å; I161-Q181 HydrophobicContact CD1-CB 4.24Å; I161-M185 HydrophobicContact CG2-CB 4.33Å; I161-M185 HydrophobicContact CG2-SD 4.06Å; I161-P193 HydrophobicContact CB-CG 4.4Å; I161-P193 HydrophobicContact CD1-CG 4.01Å; I161-P193 HydrophobicContact CG1-CB 4.27Å; I161-P193 HydrophobicContact CG1-CG 3.8Å; I161-P193 HydrophobicContact CG2-CG 3.94Å
162	H	98.5	Very high	96.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-66.8	-48	174.7	-54.7	101.7	0	0	0	110.8	C158 S159 C160 A164 A165 Q166 M185 D187 M191 W196	C158-H162 HydrophobicContact CB-CB 4.1Å; S159-H162 PolarHBondContact N-ND1 2.93Å; S159-H162 WeakPolarHBondContact O-CB 3.38Å; S159-H162 PolarHBondContact O-N 3.01Å; S159-H162 PolarHBondContact OG-CE1 3.2Å; S159-H162 VanDerWaalsContact OG-CE1 3.24Å; S159-H162 PolarHBondContact OG-ND1 3.4Å; C160-H162 VanDerWaalsContact C-N 3.34Å; C160-H162 PolarHBondContact O-N 2.94Å; H162-A164 PolarHBondContact O-N 3.18Å; H162-A165 PolarHBondContact O-N 3.03Å; H162-Q166 WeakPolarHBondContact O-CB 3.48Å; H162-Q166 PolarHBondContact O-N 3.21Å; H162-M185 PolarHBondContact NE2-O 2.73Å; H162-D187 PolarHBondContact CE1-N 3.28Å; H162-D187 PolarHBondContact NE2-N 3.23Å; H162-D187 VanDerWaalsContact NE2-N 3.16Å; H162-M191 PolarHBondContact CD2-O 3.41Å; H162-M191 PolarHBondContact NE2-O 3.46Å; H162-W196 AromaticContact CD2-CD1 3.98Å
163	L	98.2	Very high	96.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.5	-46.9	177.3	-60.5	178.9	0	0	0	111.3	H129 T132 R133 C158 S159 C160 A165 Q166 F167	H129-L163 HydrophobicContact CB-CD1 3.92Å; T132-L163 HydrophobicContact CG2-CB 3.9Å; R133-L163 HydrophobicContact CG-CD1 4.02Å; R133-L163 HydrophobicContact CG-CD2 4.47Å; R133-L163 VanDerWaalsContact CZ-CD2 3.47Å; R133-L163 VanDerWaalsContact NH2-CD2 3.34Å; C158-L163 HydrophobicContact CB-CD2 3.67Å; C158-L163 HydrophobicContact CB-CG 4.05Å; S159-L163 PolarHBondContact O-N 3.45Å; S159-L163 VanDerWaalsContact O-N 3.15Å; C160-L163 PolarHBondContact O-N 3.08Å; L163-A165 VanDerWaalsContact C-N 3.29Å; L163-A165 PolarHBondContact O-N 3.38Å; L163-Q166 PolarHBondContact O-N 2.92Å; L163-F167 HydrophobicContact CD2-CE2 4.39Å; L163-F167 VanDerWaalsContact O-CD2 3.26Å; L163-F167 WeakPolarHBondContact O-CD2 3.44Å; L163-F167 PolarHBondContact O-N 3.29Å
164	A	97.5	Very high	96.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.6	-40.8	178.3	0	0	0	0	0	111.9	T132 C160 H162 G168 H169 I172 V173 L176	T132-A164 HydrophobicContact CG2-CB 3.86Å; C160-A164 VanDerWaalsContact O-CB 3.29Å; C160-A164 WeakPolarHBondContact O-CB 3.38Å; C160-A164 PolarHBondContact O-N 3.31Å; H162-A164 PolarHBondContact O-N 3.18Å; A164-G168 PolarHBondContact O-N 2.94Å; A164-G168 VanDerWaalsContact O-N 3.17Å; A164-H169 HydrophobicContact CB-CB 4.46Å; A164-H169 PolarHBondContact O-N 2.79Å; A164-I172 HydrophobicContact CB-CB 3.99Å; A164-I172 HydrophobicContact CB-CG2 3.68Å; A164-V173 HydrophobicContact CB-CG2 3.58Å; A164-L176 HydrophobicContact CB-CD1 4.45Å
165	A	97.5	Very high	96.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-71.3	-40.2	176.2	0	0	0	0	0	112.7	I161 H162 L163 G168 V173 P193 W196 A197 T201	I161-A165 WeakPolarHBondContact O-CB 3.41Å; I161-A165 PolarHBondContact O-N 3.16Å; H162-A165 PolarHBondContact O-N 3.03Å; L163-A165 VanDerWaalsContact C-N 3.29Å; L163-A165 PolarHBondContact O-N 3.38Å; A165-G168 PolarHBondContact O-N 2.89Å; A165-V173 HydrophobicContact CB-CG2 4.26Å; A165-P193 HydrophobicContact CB-CB 3.83Å; A165-P193 WeakPolarHBondContact CB-O 3.5Å; A165-W196 HydrophobicContact CB-CB 4.49Å; A165-A197 HydrophobicContact CB-CB 4.42Å; A165-T201 WeakPolarHBondContact O-CG2 3.35Å
166	Q	96.5	Very high	96.5	Very high	13 Å²	13	15.1 Å²	15.1	6%	0.061	8%	0.081	C	C	.	.	H	α-helix	trans	-62.7	-41.4	179.3	-171.5	-171.3	52.9	0	0	112.2	H162 L163 W196 R200 T201	H162-Q166 WeakPolarHBondContact O-CB 3.48Å; H162-Q166 PolarHBondContact O-N 3.21Å; L163-Q166 PolarHBondContact O-N 2.92Å; Q166-W196 HydrophobicContact CB-CB 4.21Å; Q166-W196 HydrophobicContact CB-CD2 4.34Å; Q166-W196 HydrophobicContact CB-CE3 4.28Å; Q166-W196 HydrophobicContact CB-CG 4.37Å; Q166-W196 HydrophobicContact CG-CD2 4.19Å; Q166-W196 HydrophobicContact CG-CE3 3.68Å; Q166-W196 HydrophobicContact CG-CZ3 4.14Å; Q166-W196 VanDerWaalsContact NE2-CH2 3.31Å; Q166-R200 HydrophobicContact CG-CB 4.1Å; Q166-R200 HydrophobicContact CG-CG 3.91Å; Q166-R200 WeakPolarHBondContact O-CB 3.49Å; Q166-T201 WeakPolarHBondContact O-CG2 3.27Å
167	F	96	Very high	96.5	Very high	86 Å²	86	11.3 Å²	11.3	38%	0.377	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	1.8	-179.3	-69.4	-77.2	0	0	0	113.7	R133 L163 H169	R133-F167 HydrophobicContact CB-CE2 4.43Å; R133-F167 HydrophobicContact CG-CD2 4.32Å; R133-F167 HydrophobicContact CG-CE2 3.91Å; L163-F167 HydrophobicContact CD2-CE2 4.39Å; L163-F167 VanDerWaalsContact O-CD2 3.26Å; L163-F167 WeakPolarHBondContact O-CD2 3.44Å; L163-F167 PolarHBondContact O-N 3.29Å; F167-H169 WeakPolarHBondContact CB-NE2 3.36Å; F167-H169 PolarHBondContact O-N 3.45Å
168	G	94.5	Very high	96.4	Very high	19 Å²	19	12 Å²	12	20%	0.196	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	17.8	175.3	0	0	0	0	0	115.3	A164 A165 T170	A164-G168 PolarHBondContact O-N 2.94Å; A164-G168 VanDerWaalsContact O-N 3.17Å; A165-G168 PolarHBondContact O-N 2.89Å; G168-T170 PolarHBondContact O-N 3.43Å; G168-T170 PolarHBondContact O-OG1 2.88Å
169	H	94.7	Very high	96.4	Very high	44 Å²	44	16.1 Å²	16.1	20%	0.204	9%	0.087	C	C	.	.			trans	-77.7	69.6	179.4	-60.5	-49	0	0	0	111.6	T132 R133 G135 A164 F167 S171 I172 V173	T132-H169 PolarHBondContact O-CD2 3.14Å; R133-H169 PolarHBondContact O-NE2 3.39Å; G135-H169 WeakPolarHBondContact CA-CE1 3.36Å; G135-H169 VanDerWaalsContact CA-CG 3.47Å; G135-H169 VanDerWaalsContact CA-ND1 3.33Å; G135-H169 WeakPolarHBondContact CA-ND1 3.41Å; G135-H169 WeakPolarHBondContact CA-NE2 3.22Å; G135-H169 PolarHBondContact N-CE1 2.89Å; G135-H169 PolarHBondContact N-NE2 3.02Å; A164-H169 HydrophobicContact CB-CB 4.46Å; A164-H169 PolarHBondContact O-N 2.79Å; F167-H169 WeakPolarHBondContact CB-NE2 3.36Å; F167-H169 PolarHBondContact O-N 3.45Å; H169-S171 VanDerWaalsContact C-N 3.26Å; H169-S171 PolarHBondContact O-N 2.97Å; H169-S171 VanDerWaalsContact O-N 3.15Å; H169-I172 HydrophobicContact CB-CB 4.22Å; H169-I172 HydrophobicContact CB-CD1 3.97Å; H169-I172 HydrophobicContact CB-CG1 4.31Å; H169-I172 PolarHBondContact O-N 3.38Å; H169-V173 PolarHBondContact O-N 3.37Å; H169-V173 VanDerWaalsContact O-N 3.1Å
170	T	93	Very high	96.3	Very high	20 Å²	20	19.1 Å²	19.1	12%	0.123	12%	0.118	C	C	.	.	H	α-helix	trans	-53.6	-37.7	-173.1	-54.3	0	0	0	0	113.7	G168 I172 V173 A174 D205 P206 L209	G168-T170 PolarHBondContact O-N 3.43Å; G168-T170 PolarHBondContact O-OG1 2.88Å; T170-I172 VanDerWaalsContact C-N 3.33Å; T170-I172 PolarHBondContact O-N 2.93Å; T170-V173 PolarHBondContact O-N 2.83Å; T170-A174 WeakPolarHBondContact O-CB 3.37Å; T170-A174 PolarHBondContact O-N 2.97Å; T170-D205 HydrophobicContact CG2-CB 4.08Å; T170-D205 WeakPolarHBondContact OG1-CB 3.43Å; T170-P206 WeakPolarHBondContact OG1-CD 3.25Å; T170-L209 HydrophobicContact CG2-CB 3.99Å; T170-L209 HydrophobicContact CG2-CD2 3.63Å; T170-L209 HydrophobicContact CG2-CG 4.31Å; T170-L209 VanDerWaalsContact O-CD2 3.27Å; T170-L209 WeakPolarHBondContact O-CD2 3.15Å
171	S	93	Very high	96.2	Very high	42 Å²	42	20.6 Å²	20.6	29%	0.294	13%	0.125	S	C	.	.	H	α-helix	trans	-67.4	-33.8	179.8	59.2	0	0	0	0	112.7	H169 Y175	H169-S171 VanDerWaalsContact C-N 3.26Å; H169-S171 PolarHBondContact O-N 2.97Å; H169-S171 VanDerWaalsContact O-N 3.15Å; S171-Y175 WeakPolarHBondContact O-CB 3.29Å; S171-Y175 PolarHBondContact O-N 2.97Å
172	I	95.9	Very high	96.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-71.9	-44.6	173.7	-63.3	174.1	0	0	0	110.1	T132 L137 V140 A164 H169 T170 A174 Y175 L176	T132-I172 HydrophobicContact CG2-CG2 4.13Å; L137-I172 HydrophobicContact CB-CG1 4.15Å; L137-I172 HydrophobicContact CD1-CG1 3.98Å; V140-I172 HydrophobicContact CG1-CG2 4.25Å; V140-I172 HydrophobicContact CG2-CD1 3.95Å; V140-I172 HydrophobicContact CG2-CG1 4.38Å; V140-I172 HydrophobicContact CG2-CG2 4.42Å; A164-I172 HydrophobicContact CB-CB 3.99Å; A164-I172 HydrophobicContact CB-CG2 3.68Å; H169-I172 HydrophobicContact CB-CB 4.22Å; H169-I172 HydrophobicContact CB-CD1 3.97Å; H169-I172 HydrophobicContact CB-CG1 4.31Å; H169-I172 PolarHBondContact O-N 3.38Å; T170-I172 VanDerWaalsContact C-N 3.33Å; T170-I172 PolarHBondContact O-N 2.93Å; I172-A174 VanDerWaalsContact C-N 3.27Å; I172-A174 PolarHBondContact O-N 3.31Å; I172-Y175 PolarHBondContact O-N 3.41Å; I172-Y175 VanDerWaalsContact O-N 3.15Å; I172-L176 HydrophobicContact CG2-CD1 3.74Å; I172-L176 HydrophobicContact CG2-CG 4.02Å; I172-L176 WeakPolarHBondContact O-CB 3.32Å; I172-L176 VanDerWaalsContact O-CG 3.32Å; I172-L176 WeakPolarHBondContact O-CG 3.35Å; I172-L176 PolarHBondContact O-N 2.76Å
173	V	95.6	Very high	96	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-53.6	-47.4	173.7	177.4	0	0	0	0	110.5	A164 A165 H169 T170 Y175 L176 I177 L209 L210	A164-V173 HydrophobicContact CB-CG2 3.58Å; A165-V173 HydrophobicContact CB-CG2 4.26Å; H169-V173 PolarHBondContact O-N 3.37Å; H169-V173 VanDerWaalsContact O-N 3.1Å; T170-V173 PolarHBondContact O-N 2.83Å; V173-Y175 PolarHBondContact O-N 3.26Å; V173-L176 PolarHBondContact O-N 3.32Å; V173-I177 HydrophobicContact CG1-CD1 3.75Å; V173-I177 WeakPolarHBondContact O-CG1 3.29Å; V173-I177 PolarHBondContact O-N 3.31Å; V173-I177 VanDerWaalsContact O-N 3.1Å; V173-L209 HydrophobicContact CB-CD2 3.89Å; V173-L209 HydrophobicContact CG1-CD2 3.77Å; V173-L210 HydrophobicContact CG1-CD2 3.82Å; V173-L210 HydrophobicContact CG1-CG 4.22Å
174	A	94.3	Very high	96	Very high	2 Å²	2	27 Å²	27	2%	0.017	16%	0.159	C	C	.	.	H	α-helix	trans	-60	-47.3	178.7	0	0	0	0	0	111.7	T170 I172 A178 L209 I424	T170-A174 WeakPolarHBondContact O-CB 3.37Å; T170-A174 PolarHBondContact O-N 2.97Å; I172-A174 VanDerWaalsContact C-N 3.27Å; I172-A174 PolarHBondContact O-N 3.31Å; A174-A178 VanDerWaalsContact O-CB 3.24Å; A174-A178 WeakPolarHBondContact O-CB 3.46Å; A174-A178 PolarHBondContact O-N 3.12Å; A174-L209 HydrophobicContact CB-CD1 4.21Å; A174-L209 HydrophobicContact CB-CD2 3.65Å; A174-I424 HydrophobicContact CB-CD1 4.36Å; A174-I424 HydrophobicContact CB-CG2 3.89Å
175	Y	96.2	Very high	96	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-64.4	-44.5	-178.9	179.1	-110.8	0	0	0	112.4	L137 V140 V141 M144 S171 I172 V173 A178 K179 A428 E429	L137-Y175 HydrophobicContact CD1-CD1 4.38Å; L137-Y175 HydrophobicContact CD1-CG 4.21Å; V140-Y175 HydrophobicContact CG1-CD1 4.05Å; V140-Y175 HydrophobicContact CG1-CE1 4.22Å; V141-Y175 HydrophobicContact CB-CE1 4.46Å; V141-Y175 HydrophobicContact CG2-CD1 4.24Å; V141-Y175 HydrophobicContact CG2-CD2 4.38Å; V141-Y175 HydrophobicContact CG2-CE1 3.79Å; V141-Y175 HydrophobicContact CG2-CE2 3.95Å; V141-Y175 HydrophobicContact CG2-CG 4.5Å; M144-Y175 HydrophobicContact CE-CE1 4.41Å; M144-Y175 HydrophobicContact SD-CD1 4.14Å; M144-Y175 HydrophobicContact SD-CE1 3.54Å; M144-Y175 VanDerWaalsContact SD-CE1 3.54Å; S171-Y175 WeakPolarHBondContact O-CB 3.29Å; S171-Y175 PolarHBondContact O-N 2.97Å; I172-Y175 PolarHBondContact O-N 3.41Å; I172-Y175 VanDerWaalsContact O-N 3.15Å; V173-Y175 PolarHBondContact O-N 3.26Å; Y175-A178 CarbonylContact O-C 3.49Å; Y175-A178 PolarHBondContact O-N 2.8Å; Y175-K179 HydrophobicContact CD1-CG 4.47Å; Y175-K179 HydrophobicContact CD2-CG 4.29Å; Y175-K179 HydrophobicContact CE1-CG 4.1Å; Y175-K179 HydrophobicContact CE2-CD 4.33Å; Y175-K179 VanDerWaalsContact CE2-CE 3.49Å; Y175-K179 HydrophobicContact CE2-CG 3.9Å; Y175-K179 VanDerWaalsContact CZ-CE 3.41Å; Y175-K179 WeakPolarHBondContact O-CB 3.09Å; Y175-K179 WeakPolarHBondContact O-CG 3.28Å; Y175-K179 PolarHBondContact O-N 3.16Å; Y175-K179 WeakPolarHBondContact OH-CE 3.36Å; Y175-A428 HydrophobicContact CD2-CB 3.39Å; Y175-A428 HydrophobicContact CE2-CB 3.91Å; Y175-A428 HydrophobicContact CG-CB 4.06Å; Y175-E429 HydrophobicContact CE2-CG 4.16Å
176	L	98.1	Very high	96.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-46.9	178.8	-70.1	176.8	0	0	0	111.9	M144 P150 C160 I161 A164 I172 V173 A178 K179 G180 Q181	M144-L176 HydrophobicContact CE-CD2 4.3Å; M144-L176 HydrophobicContact SD-CD2 3.7Å; P150-L176 HydrophobicContact CB-CD2 3.63Å; P150-L176 HydrophobicContact CG-CD2 4.27Å; C160-L176 HydrophobicContact CB-CD1 3.81Å; I161-L176 HydrophobicContact CB-CD1 4.08Å; A164-L176 HydrophobicContact CB-CD1 4.45Å; I172-L176 HydrophobicContact CG2-CD1 3.74Å; I172-L176 HydrophobicContact CG2-CG 4.02Å; I172-L176 WeakPolarHBondContact O-CB 3.32Å; I172-L176 VanDerWaalsContact O-CG 3.32Å; I172-L176 WeakPolarHBondContact O-CG 3.35Å; I172-L176 PolarHBondContact O-N 2.76Å; V173-L176 PolarHBondContact O-N 3.32Å; L176-A178 VanDerWaalsContact C-N 3.32Å; L176-A178 PolarHBondContact O-N 3.34Å; L176-K179 CarbonylContact O-C 3.43Å; L176-K179 PolarHBondContact O-N 3.08Å; L176-K179 VanDerWaalsContact O-N 3.15Å; L176-G180 PolarHBondContact O-N 2.79Å; L176-Q181 HydrophobicContact CB-CB 4.27Å; L176-Q181 HydrophobicContact CB-CG 4.01Å; L176-Q181 HydrophobicContact CD2-CG 4.42Å; L176-Q181 WeakPolarHBondContact O-CB 3.19Å; L176-Q181 WeakPolarHBondContact O-CG 3.29Å; L176-Q181 PolarHBondContact O-N 3.28Å
177	I	96.7	Very high	96.1	Very high	8 Å²	8	33 Å²	33	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-42.4	175.2	-65.4	167.6	0	0	0	110.5	I161 V173 K179 G180 V183 L210 F213	I161-I177 HydrophobicContact CD1-CD1 4.31Å; I161-I177 HydrophobicContact CD1-CG1 3.7Å; V173-I177 HydrophobicContact CG1-CD1 3.75Å; V173-I177 WeakPolarHBondContact O-CG1 3.29Å; V173-I177 PolarHBondContact O-N 3.31Å; V173-I177 VanDerWaalsContact O-N 3.1Å; I177-K179 PolarHBondContact O-N 3.46Å; I177-G180 PolarHBondContact O-N 3.09Å; I177-V183 HydrophobicContact CD1-CB 4.44Å; I177-V183 HydrophobicContact CD1-CG2 3.92Å; I177-L210 HydrophobicContact CD1-CD2 3.93Å; I177-F213 HydrophobicContact CB-CE2 4.44Å; I177-F213 HydrophobicContact CD1-CD2 3.83Å; I177-F213 HydrophobicContact CD1-CE2 4.25Å; I177-F213 HydrophobicContact CD1-CG 4.34Å; I177-F213 HydrophobicContact CG2-CB 4.41Å; I177-F213 HydrophobicContact CG2-CD1 3.7Å; I177-F213 HydrophobicContact CG2-CD2 4.04Å; I177-F213 HydrophobicContact CG2-CE1 3.8Å; I177-F213 HydrophobicContact CG2-CE2 4.12Å; I177-F213 HydrophobicContact CG2-CG 3.81Å; I177-F213 HydrophobicContact CG2-CZ 3.99Å
178	A	95.4	Very high	96.2	Very high	15 Å²	15	34.3 Å²	34.3	12%	0.124	20%	0.197	C	C	.	.	H	α-helix	trans	-67.2	-24.4	178.1	0	0	0	0	0	113.2	A174 Y175 L176 G180 K421 I424 V425	A174-A178 VanDerWaalsContact O-CB 3.24Å; A174-A178 WeakPolarHBondContact O-CB 3.46Å; A174-A178 PolarHBondContact O-N 3.12Å; Y175-A178 CarbonylContact O-C 3.49Å; Y175-A178 PolarHBondContact O-N 2.8Å; L176-A178 VanDerWaalsContact C-N 3.32Å; L176-A178 PolarHBondContact O-N 3.34Å; A178-G180 VanDerWaalsContact C-N 3.31Å; A178-K421 HydrophobicContact CB-CB 4.08Å; A178-K421 HydrophobicContact CB-CG 4.33Å; A178-I424 HydrophobicContact CB-CB 3.95Å; A178-I424 HydrophobicContact CB-CD1 4.46Å; A178-I424 HydrophobicContact CB-CG2 3.82Å; A178-V425 HydrophobicContact CB-CG2 3.79Å
179	K	97	Very high	96.3	Very high	88 Å²	88	35.4 Å²	35.4	38%	0.383	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	4.8	170.2	-73.2	-65.7	-167.3	-179	0	113.9	M144 Y175 L176 I177 V425 E429	M144-K179 HydrophobicContact CE-CB 3.86Å; M144-K179 HydrophobicContact CE-CG 3.96Å; Y175-K179 HydrophobicContact CD1-CG 4.47Å; Y175-K179 HydrophobicContact CD2-CG 4.29Å; Y175-K179 HydrophobicContact CE1-CG 4.1Å; Y175-K179 HydrophobicContact CE2-CD 4.33Å; Y175-K179 VanDerWaalsContact CE2-CE 3.49Å; Y175-K179 HydrophobicContact CE2-CG 3.9Å; Y175-K179 VanDerWaalsContact CZ-CE 3.41Å; Y175-K179 WeakPolarHBondContact O-CB 3.09Å; Y175-K179 WeakPolarHBondContact O-CG 3.28Å; Y175-K179 PolarHBondContact O-N 3.16Å; Y175-K179 WeakPolarHBondContact OH-CE 3.36Å; L176-K179 CarbonylContact O-C 3.43Å; L176-K179 PolarHBondContact O-N 3.08Å; L176-K179 VanDerWaalsContact O-N 3.15Å; I177-K179 PolarHBondContact O-N 3.46Å; K179-V425 HydrophobicContact CD-CG2 4.22Å; K179-V425 HydrophobicContact CG-CG2 4.46Å; K179-E429 WeakPolarHBondContact CE-OE1 3.35Å; K179-E429 IonicContact NZ-OE1 2.64Å; K179-E429 PolarHBondContact NZ-OE1 3.14Å
180	G	95.9	Very high	96.4	Very high	63 Å²	63	33.6 Å²	33.6	65%	0.649	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.4	10.3	170.9	0	0	0	0	0	115.5	L176 I177 A178	L176-G180 PolarHBondContact O-N 2.79Å; I177-G180 PolarHBondContact O-N 3.09Å; A178-G180 VanDerWaalsContact C-N 3.31Å
181	Q	97.2	Very high	96.7	Very high	30 Å²	30	33.1 Å²	33.1	14%	0.14	19%	0.188	C	C	.	.			trans	-65	136.1	168.3	-65.4	-62.6	-74.5	0	0	110.2	P150 I161 L176 V183 M185	P150-Q181 HydrophobicContact CB-CG 4.34Å; P150-Q181 HydrophobicContact CG-CG 3.98Å; I161-Q181 HydrophobicContact CD1-CB 4.24Å; L176-Q181 HydrophobicContact CB-CB 4.27Å; L176-Q181 HydrophobicContact CB-CG 4.01Å; L176-Q181 HydrophobicContact CD2-CG 4.42Å; L176-Q181 WeakPolarHBondContact O-CB 3.19Å; L176-Q181 WeakPolarHBondContact O-CG 3.29Å; L176-Q181 PolarHBondContact O-N 3.28Å; Q181-V183 PolarHBondContact O-N 2.69Å; Q181-M185 VanDerWaalsContact OE1-CE 3.31Å
182	D	97.2	Very high	96.9	Very high	90 Å²	90	31.1 Å²	31.1	48%	0.481	17%	0.174	S	C	.	.			trans	-65.1	129.4	176.7	-176.1	6.9	0	0	0	110.3	D184 M185	D182-D184 PolarHBondContact O-N 3.23Å; D182-D184 PolarHBondContact OD1-N 3.27Å; D182-M185 HydrophobicContact CB-CB 4.2Å; D182-M185 WeakPolarHBondContact O-CB 3.17Å; D182-M185 PolarHBondContact O-N 3.4Å
183	V	96.3	Very high	97	Very high	16 Å²	16	31.1 Å²	31.1	10%	0.097	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-25.7	179.2	70.4	0	0	0	0	111.9	I177 Q181 L210 F213 V215	I177-V183 HydrophobicContact CD1-CB 4.44Å; I177-V183 HydrophobicContact CD1-CG2 3.92Å; Q181-V183 PolarHBondContact O-N 2.69Å; V183-L210 HydrophobicContact CG2-CD2 3.67Å; V183-F213 HydrophobicContact CG2-CB 4.14Å; V183-V215 HydrophobicContact CG1-CB 4.3Å; V183-V215 HydrophobicContact CG1-CG2 4.44Å; V183-V215 HydrophobicContact CG2-CB 3.86Å; V183-V215 HydrophobicContact CG2-CG2 3.95Å
184	D	98.2	Very high	97.2	Very high	29 Å²	29	31.1 Å²	31.1	16%	0.155	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	11.7	177.9	-75.9	-38.2	0	0	0	112.6	D182 M186 V215 S216 L219	D182-D184 PolarHBondContact O-N 3.23Å; D182-D184 PolarHBondContact OD1-N 3.27Å; D184-M186 PolarHBondContact O-N 2.99Å; D184-V215 WeakPolarHBondContact OD1-CG2 3.48Å; D184-S216 WeakPolarHBondContact OD1-CB 3.29Å; D184-S216 PolarHBondContact OD1-N 2.89Å; D184-S216 WeakPolarHBondContact OD2-CB 3.48Å; D184-S216 PolarHBondContact OD2-N 3.28Å; D184-S216 VanDerWaalsContact OD2-N 3.1Å; D184-S216 PolarHBondContact OD2-OG 3.22Å; D184-L219 HydrophobicContact CB-CD1 3.95Å
185	M	97.6	Very high	97.3	Very high	40 Å²	40	31.1 Å²	31.1	20%	0.197	17%	0.173	C	C	.	.			trans	-49.2	135.9	175.8	-171.9	178.7	-72.3	0	0	109.8	S159 I161 H162 Q181 D182 T192 P193	S159-M185 PolarHBondContact OG-SD 3.37Å; I161-M185 HydrophobicContact CG2-CB 4.33Å; I161-M185 HydrophobicContact CG2-SD 4.06Å; H162-M185 PolarHBondContact NE2-O 2.73Å; Q181-M185 VanDerWaalsContact OE1-CE 3.31Å; D182-M185 HydrophobicContact CB-CB 4.2Å; D182-M185 WeakPolarHBondContact O-CB 3.17Å; D182-M185 PolarHBondContact O-N 3.4Å; M185-T192 WeakPolarHBondContact O-CA 3.45Å; M185-P193 WeakPolarHBondContact O-CD 3.46Å
186	M	98	Very high	97.4	Very high	91 Å²	91	32.4 Å²	32.4	45%	0.448	18%	0.179	S	C	.	.			trans	-105.6	136.9	176.7	-72.9	-175.7	178.3	0	0	109.9	D184 T192 L219	D184-M186 PolarHBondContact O-N 2.99Å; M186-T192 HydrophobicContact CE-CG2 4.26Å; M186-T192 HydrophobicContact CG-CG2 4.06Å; M186-L219 HydrophobicContact CE-CB 4.25Å; M186-L219 HydrophobicContact CE-CD1 4.03Å; M186-L219 HydrophobicContact CE-CD2 4.28Å; M186-L219 HydrophobicContact CE-CG 4.42Å
187	D	98.2	Very high	97.3	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.053	18%	0.179	C	C	.	.			trans	-75.7	-178.5	169.6	77	4.2	0	0	0	111.3	G157 H162 N189 G190 M191 W196	G157-D187 VanDerWaalsContact O-CB 3.28Å; G157-D187 WeakPolarHBondContact O-CB 3.15Å; H162-D187 PolarHBondContact CE1-N 3.28Å; H162-D187 PolarHBondContact NE2-N 3.23Å; H162-D187 VanDerWaalsContact NE2-N 3.16Å; D187-N189 PolarHBondContact O-N 2.88Å; D187-N189 VanDerWaalsContact O-N 3.1Å; D187-N189 VanDerWaalsContact OD1-C 3.27Å; D187-N189 VanDerWaalsContact OD1-CA 3.23Å; D187-N189 WeakPolarHBondContact OD1-CA 3.03Å; D187-N189 VanDerWaalsContact OD1-CB 3.31Å; D187-N189 WeakPolarHBondContact OD1-CB 3.37Å; D187-N189 PolarHBondContact OD1-N 3.25Å; D187-G190 PolarHBondContact O-N 3.3Å; D187-G190 PolarHBondContact OD1-N 2.91Å; D187-M191 PolarHBondContact N-O 3.49Å; D187-M191 WeakPolarHBondContact OD1-CB 3.47Å; D187-M191 PolarHBondContact OD1-N 3.3Å; D187-M191 WeakPolarHBondContact OD2-CB 3.49Å; D187-W196 PolarHBondContact OD2-NE1 2.83Å
188	Q	97.5	Very high	97.4	Very high	113 Å²	113	32 Å²	32	53%	0.528	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.9	179.1	-165.9	174.3	1.2	0	0	113.8	G157	G157-Q188 PolarHBondContact O-N 3.36Å
189	N	95.8	Very high	97.4	Very high	42 Å²	42	35.8 Å²	35.8	23%	0.225	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	3.2	177	-54.3	-51.3	0	0	0	112.7	D187 M191 K222 Y223	D187-N189 PolarHBondContact O-N 2.88Å; D187-N189 VanDerWaalsContact O-N 3.1Å; D187-N189 VanDerWaalsContact OD1-C 3.27Å; D187-N189 VanDerWaalsContact OD1-CA 3.23Å; D187-N189 WeakPolarHBondContact OD1-CA 3.03Å; D187-N189 VanDerWaalsContact OD1-CB 3.31Å; D187-N189 WeakPolarHBondContact OD1-CB 3.37Å; D187-N189 PolarHBondContact OD1-N 3.25Å; N189-M191 HydrophobicContact CB-CG 4.24Å; N189-M191 PolarHBondContact O-N 3.25Å; N189-K222 WeakPolarHBondContact O-CB 3.46Å; N189-K222 PolarHBondContact O-N 3.35Å; N189-K222 VanDerWaalsContact O-N 3.1Å; N189-Y223 HydrophobicContact CB-CD2 4.33Å; N189-Y223 HydrophobicContact CB-CE2 3.98Å
190	G	97.8	Very high	97.3	Very high	6 Å²	6	37.3 Å²	37.3	6%	0.062	19%	0.191	C	C	.	.	S	Bend	trans	72.2	11.4	-175.1	0	0	0	0	0	113.8	D187 D221	D187-G190 PolarHBondContact O-N 3.3Å; D187-G190 PolarHBondContact OD1-N 2.91Å; G190-D221 WeakPolarHBondContact O-CA 3.24Å
191	M	98.2	Very high	97	Very high	9 Å²	9	34.7 Å²	34.7	4%	0.044	16%	0.163	C	C	.	.			trans	-80.6	132.3	179.3	-67.6	-79.6	-74.1	0	0	109.8	H162 D187 N189 M195 W196 D221 W231	H162-M191 PolarHBondContact CD2-O 3.41Å; H162-M191 PolarHBondContact NE2-O 3.46Å; D187-M191 PolarHBondContact N-O 3.49Å; D187-M191 WeakPolarHBondContact OD1-CB 3.47Å; D187-M191 PolarHBondContact OD1-N 3.3Å; D187-M191 WeakPolarHBondContact OD2-CB 3.49Å; N189-M191 HydrophobicContact CB-CG 4.24Å; N189-M191 PolarHBondContact O-N 3.25Å; M191-M195 HydrophobicContact CB-SD 4.42Å; M191-M195 HydrophobicContact CE-CB 3.61Å; M191-M195 HydrophobicContact SD-CB 3.91Å; M191-M195 HydrophobicContact SD-SD 3.86Å; M191-W196 HydrophobicContact CE-CD2 4.18Å; M191-W196 HydrophobicContact CE-CE3 4.37Å; M191-W196 HydrophobicContact CE-CG 4.5Å; M191-D221 HydrophobicContact CG-CB 4.22Å; M191-D221 HydrophobicContact SD-CB 3.66Å; M191-W231 HydrophobicContact CE-CD2 4.15Å; M191-W231 HydrophobicContact CE-CG 4.4Å; M191-W231 HydrophobicContact CE-CZ2 4.16Å; M191-W231 VanDerWaalsContact SD-CE2 3.58Å; M191-W231 HydrophobicContact SD-CZ2 3.72Å; M191-W231 PolarHBondContact SD-NE1 3.34Å; M191-W231 VanDerWaalsContact SD-NE1 3.36Å
192	T	98.3	Very high	96.2	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	18%	0.184	C	C	.	.			trans	-87.6	161.6	172.7	70.1	0	0	0	0	111.2	M185 M186 L194 M195 W196 L219	M185-T192 WeakPolarHBondContact O-CA 3.45Å; M186-T192 HydrophobicContact CE-CG2 4.26Å; M186-T192 HydrophobicContact CG-CG2 4.06Å; T192-L194 PolarHBondContact O-N 3.47Å; T192-L194 VanDerWaalsContact O-N 3.15Å; T192-L194 PolarHBondContact OG1-N 2.9Å; T192-M195 HydrophobicContact CG2-CE 4.05Å; T192-M195 HydrophobicContact CG2-SD 4.35Å; T192-M195 PolarHBondContact N-SD 3.23Å; T192-M195 VanDerWaalsContact N-SD 3.39Å; T192-M195 WeakPolarHBondContact O-CB 3.4Å; T192-M195 PolarHBondContact O-N 3.12Å; T192-M195 WeakPolarHBondContact OG1-CG 3.27Å; T192-M195 PolarHBondContact OG1-N 3.06Å; T192-W196 PolarHBondContact O-N 3.06Å; T192-L219 HydrophobicContact CG2-CB 4.29Å; T192-L219 HydrophobicContact CG2-CD1 3.86Å
193	P	98.2	Very high	95.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-51.5	-36	170.9	-30.4	35.9	0	0	0	113.2	I161 A165 M185 W196 A197 L210	I161-P193 HydrophobicContact CB-CG 4.4Å; I161-P193 HydrophobicContact CD1-CG 4.01Å; I161-P193 HydrophobicContact CG1-CB 4.27Å; I161-P193 HydrophobicContact CG1-CG 3.8Å; I161-P193 HydrophobicContact CG2-CG 3.94Å; A165-P193 HydrophobicContact CB-CB 3.83Å; A165-P193 WeakPolarHBondContact CB-O 3.5Å; M185-P193 WeakPolarHBondContact O-CD 3.46Å; P193-W196 PolarHBondContact O-N 3.37Å; P193-A197 WeakPolarHBondContact O-CB 3.24Å; P193-A197 PolarHBondContact O-N 2.94Å; P193-L210 HydrophobicContact CB-CD1 4.04Å; P193-L210 HydrophobicContact CB-CD2 3.96Å
194	L	98.3	Very high	94.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.3	-38.8	177.8	-175.2	66.4	0	0	0	112.3	T192 A198 T207 L210 L211 V215 A228 L244	T192-L194 PolarHBondContact O-N 3.47Å; T192-L194 VanDerWaalsContact O-N 3.15Å; T192-L194 PolarHBondContact OG1-N 2.9Å; L194-A198 VanDerWaalsContact O-CB 3.25Å; L194-A198 WeakPolarHBondContact O-CB 3.48Å; L194-A198 PolarHBondContact O-N 3.2Å; L194-T207 HydrophobicContact CD1-CG2 4.01Å; L194-L210 HydrophobicContact CB-CD1 4.28Å; L194-L210 HydrophobicContact CD1-CB 4.19Å; L194-L210 HydrophobicContact CD1-CD1 4.3Å; L194-L211 HydrophobicContact CD1-CD2 4.35Å; L194-L211 HydrophobicContact CD1-CG 4.45Å; L194-L211 HydrophobicContact CD2-CD2 4.42Å; L194-V215 HydrophobicContact CB-CG2 4.1Å; L194-V215 HydrophobicContact CD2-CG1 3.88Å; L194-V215 HydrophobicContact CD2-CG2 4.21Å; L194-A228 HydrophobicContact CD2-CB 3.94Å; L194-A228 HydrophobicContact CG-CB 3.77Å; L194-L244 HydrophobicContact CD1-CD2 4.11Å; L194-L244 HydrophobicContact CD2-CD2 3.99Å; L194-L244 HydrophobicContact CG-CD2 4.23Å
195	M	98.4	Very high	94	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-66	-43.8	175.3	-63.5	168.5	-174	0	0	111.1	M191 T192 A198 Y199 L219 G220 D221 A228	M191-M195 HydrophobicContact CB-SD 4.42Å; M191-M195 HydrophobicContact CE-CB 3.61Å; M191-M195 HydrophobicContact SD-CB 3.91Å; M191-M195 HydrophobicContact SD-SD 3.86Å; T192-M195 HydrophobicContact CG2-CE 4.05Å; T192-M195 HydrophobicContact CG2-SD 4.35Å; T192-M195 PolarHBondContact N-SD 3.23Å; T192-M195 VanDerWaalsContact N-SD 3.39Å; T192-M195 WeakPolarHBondContact O-CB 3.4Å; T192-M195 PolarHBondContact O-N 3.12Å; T192-M195 WeakPolarHBondContact OG1-CG 3.27Å; T192-M195 PolarHBondContact OG1-N 3.06Å; M195-A198 PolarHBondContact O-N 2.83Å; M195-Y199 WeakPolarHBondContact O-CB 3.43Å; M195-Y199 PolarHBondContact O-N 3.11Å; M195-L219 HydrophobicContact CE-CB 3.94Å; M195-L219 WeakPolarHBondContact CE-O 3.22Å; M195-G220 VanDerWaalsContact CE-C 3.44Å; M195-D221 HydrophobicContact SD-CB 4.02Å; M195-A228 HydrophobicContact CG-CB 4.26Å
196	W	97.6	Very high	93.7	Very high	29 Å²	29	37.6 Å²	37.6	11%	0.11	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-47	175.4	-82.5	119.1	0	0	0	112.3	H162 A165 Q166 D187 M191 T192 P193 A198 Y199 R200	H162-W196 AromaticContact CD2-CD1 3.98Å; A165-W196 HydrophobicContact CB-CB 4.49Å; Q166-W196 HydrophobicContact CB-CB 4.21Å; Q166-W196 HydrophobicContact CB-CD2 4.34Å; Q166-W196 HydrophobicContact CB-CE3 4.28Å; Q166-W196 HydrophobicContact CB-CG 4.37Å; Q166-W196 HydrophobicContact CG-CD2 4.19Å; Q166-W196 HydrophobicContact CG-CE3 3.68Å; Q166-W196 HydrophobicContact CG-CZ3 4.14Å; Q166-W196 VanDerWaalsContact NE2-CH2 3.31Å; D187-W196 PolarHBondContact OD2-NE1 2.83Å; M191-W196 HydrophobicContact CE-CD2 4.18Å; M191-W196 HydrophobicContact CE-CE3 4.37Å; M191-W196 HydrophobicContact CE-CG 4.5Å; T192-W196 PolarHBondContact O-N 3.06Å; P193-W196 PolarHBondContact O-N 3.37Å; W196-A198 VanDerWaalsContact C-N 3.33Å; W196-A198 PolarHBondContact O-N 3.49Å; W196-Y199 HydrophobicContact CE3-CD1 4.45Å; W196-Y199 HydrophobicContact CZ3-CD1 4.21Å; W196-Y199 PolarHBondContact O-N 3.42Å; W196-R200 HydrophobicContact CE3-CG 3.74Å; W196-R200 HydrophobicContact CZ3-CG 3.99Å; W196-R200 WeakPolarHBondContact O-CB 3.4Å; W196-R200 PolarHBondContact O-N 2.92Å
197	A	96.8	Very high	93.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-43.8	175.7	0	0	0	0	0	111.5	A165 P193 Y199 T201 P206 L210	A165-A197 HydrophobicContact CB-CB 4.42Å; P193-A197 WeakPolarHBondContact O-CB 3.24Å; P193-A197 PolarHBondContact O-N 2.94Å; A197-Y199 PolarHBondContact O-N 3.01Å; A197-T201 WeakPolarHBondContact O-CB 3.38Å; A197-T201 PolarHBondContact O-N 3.35Å; A197-T201 VanDerWaalsContact O-N 3.08Å; A197-T201 PolarHBondContact O-OG1 3.25Å; A197-P206 HydrophobicContact CB-CB 4.22Å; A197-P206 HydrophobicContact CB-CG 4.38Å; A197-L210 HydrophobicContact CB-CD1 4.11Å
198	A	97.5	Very high	93.2	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.2	-39.3	178.9	0	0	0	0	0	113.5	L194 M195 W196 A228 W231 A232 N237 V240 L244	L194-A198 VanDerWaalsContact O-CB 3.25Å; L194-A198 WeakPolarHBondContact O-CB 3.48Å; L194-A198 PolarHBondContact O-N 3.2Å; M195-A198 PolarHBondContact O-N 2.83Å; W196-A198 VanDerWaalsContact C-N 3.33Å; W196-A198 PolarHBondContact O-N 3.49Å; A198-A228 HydrophobicContact CB-CB 4.24Å; A198-A228 WeakPolarHBondContact CB-O 3.28Å; A198-W231 HydrophobicContact CB-CB 4.49Å; A198-A232 HydrophobicContact CB-CB 4.15Å; A198-N237 PolarHBondContact O-ND2 3.4Å; A198-V240 HydrophobicContact CB-CG1 3.84Å; A198-L244 HydrophobicContact CB-CD1 4.47Å
199	Y	96.5	Very high	92.9	Very high	93 Å²	93	31.7 Å²	31.7	37%	0.365	15%	0.148	S	C	.	.	H	α-helix	trans	-78.3	-43.6	-178.1	-176.4	-138.5	0	0	0	113.1	M195 W196 A197 W231 A235	M195-Y199 WeakPolarHBondContact O-CB 3.43Å; M195-Y199 PolarHBondContact O-N 3.11Å; W196-Y199 HydrophobicContact CE3-CD1 4.45Å; W196-Y199 HydrophobicContact CZ3-CD1 4.21Å; W196-Y199 PolarHBondContact O-N 3.42Å; A197-Y199 PolarHBondContact O-N 3.01Å; Y199-W231 HydrophobicContact CD1-CE3 4.26Å; Y199-W231 HydrophobicContact CD1-CZ3 4.45Å; Y199-W231 AromaticContact CD2-CE3 3.77Å; Y199-W231 HydrophobicContact CD2-CE3 3.77Å; Y199-W231 HydrophobicContact CD2-CZ3 4.34Å; Y199-W231 HydrophobicContact CE1-CZ3 4.43Å; Y199-W231 HydrophobicContact CE2-CE3 4.17Å; Y199-W231 HydrophobicContact CE2-CZ3 4.33Å; Y199-W231 AromaticContact CG-CE3 3.85Å; Y199-W231 HydrophobicContact CG-CE3 3.85Å; Y199-W231 HydrophobicContact CG-CZ3 4.44Å; Y199-A235 HydrophobicContact CD2-CB 4.13Å; Y199-A235 VanDerWaalsContact O-CB 3.31Å; Y199-A235 WeakPolarHBondContact O-CB 3.4Å
200	R	94.9	Very high	92.9	Very high	120 Å²	120	29.7 Å²	29.7	45%	0.453	14%	0.137	S	C	.	.	H	α-helix	trans	-108.8	-17.5	-164.3	-60.9	-62.4	-60.6	-76.3	-1.5	114.6	Q166 W196	Q166-R200 HydrophobicContact CG-CB 4.1Å; Q166-R200 HydrophobicContact CG-CG 3.91Å; Q166-R200 WeakPolarHBondContact O-CB 3.49Å; W196-R200 HydrophobicContact CE3-CG 3.74Å; W196-R200 HydrophobicContact CZ3-CG 3.99Å; W196-R200 WeakPolarHBondContact O-CB 3.4Å; W196-R200 PolarHBondContact O-N 2.92Å
201	T	88.8	Confident	92.8	Very high	8 Å²	8	31.1 Å²	31.1	5%	0.049	14%	0.143	C	C	.	.			trans	-112	120.7	-176.1	75.1	0	0	0	0	112.1	A165 Q166 A197 S203 P206 N237	A165-T201 WeakPolarHBondContact O-CG2 3.35Å; Q166-T201 WeakPolarHBondContact O-CG2 3.27Å; A197-T201 WeakPolarHBondContact O-CB 3.38Å; A197-T201 PolarHBondContact O-N 3.35Å; A197-T201 VanDerWaalsContact O-N 3.08Å; A197-T201 PolarHBondContact O-OG1 3.25Å; T201-S203 VanDerWaalsContact C-N 3.28Å; T201-P206 HydrophobicContact CG2-CG 4.24Å; T201-P206 WeakPolarHBondContact OG1-CG 3.29Å; T201-N237 PolarHBondContact O-ND2 3.39Å
202	H	80.5	Confident	92.4	Very high	125 Å²	125	32.9 Å²	32.9	58%	0.579	15%	0.154	S	C	*	.			trans	-83.2	-9.4	170.3	-62.4	-65.3	0	0	0	112.4
203	S	79.4	Confident	92	Very high	50 Å²	50	34 Å²	34	35%	0.35	16%	0.159	S	C	.	.			trans	-73.2	137.8	171.6	59.1	0	0	0	0	111	T201 D205 P206	T201-S203 VanDerWaalsContact C-N 3.28Å; S203-D205 VanDerWaalsContact C-N 3.3Å; S203-D205 PolarHBondContact O-N 3.2Å; S203-P206 WeakPolarHBondContact OG-CD 3.4Å
204	V	79.5	Confident	91.4	Very high	35 Å²	35	41 Å²	41	21%	0.212	20%	0.196	C	C	.	.	H	α-helix	trans	-73.2	-25.6	-178.3	-171.8	0	0	0	0	112.6	R208 T239 L243	V204-R208 VanDerWaalsContact O-CB 3.25Å; V204-R208 WeakPolarHBondContact O-CB 3.42Å; V204-R208 PolarHBondContact O-N 3.22Å; V204-T239 HydrophobicContact CB-CG2 4.41Å; V204-T239 HydrophobicContact CG1-CG2 4.25Å; V204-T239 HydrophobicContact CG2-CG2 3.32Å; V204-L243 HydrophobicContact CG1-CD1 3.44Å; V204-L243 VanDerWaalsContact CG1-CD1 3.44Å; V204-L243 HydrophobicContact CG1-CG 4.3Å
205	D	86.5	Confident	91.2	Very high	56 Å²	56	41.4 Å²	41.4	30%	0.299	20%	0.199	S	C	.	.	H	α-helix	trans	-67.8	-46.8	-165.3	-67.6	-37	0	0	0	115.8	T170 S203 R208 L209	T170-D205 HydrophobicContact CG2-CB 4.08Å; T170-D205 WeakPolarHBondContact OG1-CB 3.43Å; S203-D205 VanDerWaalsContact C-N 3.3Å; S203-D205 PolarHBondContact O-N 3.2Å; D205-R208 PolarHBondContact O-N 2.85Å; D205-L209 VanDerWaalsContact O-CB 3.25Å; D205-L209 WeakPolarHBondContact O-CB 3.5Å; D205-L209 PolarHBondContact O-N 3.22Å
206	P	91.1	Very high	91.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-45.6	178.3	24.7	-33.9	0	0	0	111.6	T170 A197 T201 S203 R208 L209 L210	T170-P206 WeakPolarHBondContact OG1-CD 3.25Å; A197-P206 HydrophobicContact CB-CB 4.22Å; A197-P206 HydrophobicContact CB-CG 4.38Å; T201-P206 HydrophobicContact CG2-CG 4.24Å; T201-P206 WeakPolarHBondContact OG1-CG 3.29Å; S203-P206 WeakPolarHBondContact OG-CD 3.4Å; P206-R208 PolarHBondContact O-N 2.81Å; P206-L209 PolarHBondContact O-N 2.88Å; P206-L210 VanDerWaalsContact O-CG 3.27Å; P206-L210 WeakPolarHBondContact O-CG 3.16Å; P206-L210 PolarHBondContact O-N 3.3Å
207	T	94.5	Very high	91.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.7	-50.2	175.4	-58.8	0	0	0	0	111.3	L194 L209 L210 L211 V240 L243	L194-T207 HydrophobicContact CD1-CG2 4.01Å; T207-L209 VanDerWaalsContact C-N 3.31Å; T207-L209 PolarHBondContact O-N 2.89Å; T207-L210 PolarHBondContact O-N 3.42Å; T207-L211 HydrophobicContact CG2-CD1 4.01Å; T207-L211 HydrophobicContact CG2-CG 4.44Å; T207-L211 WeakPolarHBondContact O-CB 3.46Å; T207-L211 VanDerWaalsContact O-CG 3.25Å; T207-L211 WeakPolarHBondContact O-CG 3.27Å; T207-L211 PolarHBondContact O-N 2.93Å; T207-V240 HydrophobicContact CG2-CB 4.48Å; T207-V240 HydrophobicContact CG2-CG1 3.8Å; T207-V240 HydrophobicContact CG2-CG2 4.18Å; T207-V240 WeakPolarHBondContact OG1-CG2 3.43Å; T207-L243 HydrophobicContact CG2-CB 4.4Å; T207-L243 HydrophobicContact CG2-CD1 4.01Å
208	R	91.7	Very high	91.3	Very high	89 Å²	89	47.2 Å²	47.2	34%	0.336	24%	0.237	S	C	.	.	H	α-helix	trans	-61	-40.9	179.7	-176.7	-178.4	-61.5	-144.2	-4.5	112.1	V204 D205 P206 L211 T212 L243	V204-R208 VanDerWaalsContact O-CB 3.25Å; V204-R208 WeakPolarHBondContact O-CB 3.42Å; V204-R208 PolarHBondContact O-N 3.22Å; D205-R208 PolarHBondContact O-N 2.85Å; P206-R208 PolarHBondContact O-N 2.81Å; R208-L211 PolarHBondContact O-N 3.37Å; R208-T212 PolarHBondContact O-N 2.8Å; R208-T212 PolarHBondContact O-OG1 3.13Å; R208-L243 HydrophobicContact CB-CD1 4.16Å
209	L	91.9	Very high	91.3	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-61.4	-49.8	177.1	-179.9	74.3	0	0	0	110.9	T170 V173 A174 D205 P206 T207 L211 T212 F213 L443	T170-L209 HydrophobicContact CG2-CB 3.99Å; T170-L209 HydrophobicContact CG2-CD2 3.63Å; T170-L209 HydrophobicContact CG2-CG 4.31Å; T170-L209 VanDerWaalsContact O-CD2 3.27Å; T170-L209 WeakPolarHBondContact O-CD2 3.15Å; V173-L209 HydrophobicContact CB-CD2 3.89Å; V173-L209 HydrophobicContact CG1-CD2 3.77Å; A174-L209 HydrophobicContact CB-CD1 4.21Å; A174-L209 HydrophobicContact CB-CD2 3.65Å; D205-L209 VanDerWaalsContact O-CB 3.25Å; D205-L209 WeakPolarHBondContact O-CB 3.5Å; D205-L209 PolarHBondContact O-N 3.22Å; P206-L209 PolarHBondContact O-N 2.88Å; T207-L209 VanDerWaalsContact C-N 3.31Å; T207-L209 PolarHBondContact O-N 2.89Å; L209-L211 VanDerWaalsContact C-N 3.34Å; L209-L211 PolarHBondContact O-N 2.86Å; L209-T212 WeakPolarHBondContact O-CA 3.46Å; L209-T212 VanDerWaalsContact O-CB 3.3Å; L209-T212 WeakPolarHBondContact O-CB 3.49Å; L209-T212 PolarHBondContact O-N 3.35Å; L209-F213 HydrophobicContact CD1-CD2 4.3Å; L209-F213 HydrophobicContact CD1-CE2 3.82Å; L209-F213 HydrophobicContact CG-CD2 4.23Å; L209-F213 HydrophobicContact CG-CE2 4.1Å; L209-F213 WeakPolarHBondContact O-CD2 3.05Å; L209-F213 PolarHBondContact O-N 2.92Å; L209-L443 HydrophobicContact CD1-CD2 3.44Å; L209-L443 VanDerWaalsContact CD1-CD2 3.44Å
210	L	95.4	Very high	91.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.7	-45.5	178	-70	165.9	0	0	0	111.4	V173 I177 V183 P193 L194 A197 P206 T207 T212 F213 V215	V173-L210 HydrophobicContact CG1-CD2 3.82Å; V173-L210 HydrophobicContact CG1-CG 4.22Å; I177-L210 HydrophobicContact CD1-CD2 3.93Å; V183-L210 HydrophobicContact CG2-CD2 3.67Å; P193-L210 HydrophobicContact CB-CD1 4.04Å; P193-L210 HydrophobicContact CB-CD2 3.96Å; L194-L210 HydrophobicContact CB-CD1 4.28Å; L194-L210 HydrophobicContact CD1-CB 4.19Å; L194-L210 HydrophobicContact CD1-CD1 4.3Å; A197-L210 HydrophobicContact CB-CD1 4.11Å; P206-L210 VanDerWaalsContact O-CG 3.27Å; P206-L210 WeakPolarHBondContact O-CG 3.16Å; P206-L210 PolarHBondContact O-N 3.3Å; T207-L210 PolarHBondContact O-N 3.42Å; L210-T212 PolarHBondContact O-N 3.03Å; L210-F213 PolarHBondContact O-N 3.36Å; L210-V215 HydrophobicContact CB-CG1 4.36Å; L210-V215 WeakPolarHBondContact O-CB 3.47Å; L210-V215 VanDerWaalsContact O-CG1 3.32Å; L210-V215 WeakPolarHBondContact O-CG1 3.28Å
211	L	94.1	Very high	91.5	Very high	37 Å²	37	40.8 Å²	40.8	19%	0.194	22%	0.223	C	C	.	.	H	α-helix	trans	-59.5	-28.8	174.5	-68.2	176	0	0	0	113	L194 T207 R208 L209 F213 V215 V217 L243 L244 A247	L194-L211 HydrophobicContact CD1-CD2 4.35Å; L194-L211 HydrophobicContact CD1-CG 4.45Å; L194-L211 HydrophobicContact CD2-CD2 4.42Å; T207-L211 HydrophobicContact CG2-CD1 4.01Å; T207-L211 HydrophobicContact CG2-CG 4.44Å; T207-L211 WeakPolarHBondContact O-CB 3.46Å; T207-L211 VanDerWaalsContact O-CG 3.25Å; T207-L211 WeakPolarHBondContact O-CG 3.27Å; T207-L211 PolarHBondContact O-N 2.93Å; R208-L211 PolarHBondContact O-N 3.37Å; L209-L211 VanDerWaalsContact C-N 3.34Å; L209-L211 PolarHBondContact O-N 2.86Å; L211-F213 VanDerWaalsContact C-N 3.31Å; L211-V215 HydrophobicContact CD2-CG1 3.88Å; L211-V217 HydrophobicContact CD2-CG2 3.75Å; L211-L243 HydrophobicContact CD1-CB 3.88Å; L211-L244 HydrophobicContact CD2-CD2 4.43Å; L211-A247 HydrophobicContact CD1-CB 3.95Å; L211-A247 HydrophobicContact CD2-CB 3.49Å; L211-A247 VanDerWaalsContact CD2-CB 3.49Å; L211-A247 HydrophobicContact CG-CB 4.23Å
212	T	90.5	Very high	91.9	Very high	45 Å²	45	46 Å²	46	28%	0.276	25%	0.245	S	C	.	.	H	α-helix	trans	-74.8	-21.4	176.9	-54.3	0	0	0	0	112.5	R208 L209 L210 T441 L443	R208-T212 PolarHBondContact O-N 2.8Å; R208-T212 PolarHBondContact O-OG1 3.13Å; L209-T212 WeakPolarHBondContact O-CA 3.46Å; L209-T212 VanDerWaalsContact O-CB 3.3Å; L209-T212 WeakPolarHBondContact O-CB 3.49Å; L209-T212 PolarHBondContact O-N 3.35Å; L210-T212 PolarHBondContact O-N 3.03Å; T212-T441 WeakPolarHBondContact CG2-O 3.47Å; T212-L443 HydrophobicContact CG2-CD1 3.61Å; T212-L443 HydrophobicContact CG2-CD2 4.36Å; T212-L443 HydrophobicContact CG2-CG 3.77Å
213	F	91.1	Very high	92.6	Very high	24 Å²	24	45.5 Å²	45.5	11%	0.105	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	22.7	178	-79	-70.4	0	0	0	113.9	I177 V183 L209 L210 L211 V215 K421 I424 L443	I177-F213 HydrophobicContact CB-CE2 4.44Å; I177-F213 HydrophobicContact CD1-CD2 3.83Å; I177-F213 HydrophobicContact CD1-CE2 4.25Å; I177-F213 HydrophobicContact CD1-CG 4.34Å; I177-F213 HydrophobicContact CG2-CB 4.41Å; I177-F213 HydrophobicContact CG2-CD1 3.7Å; I177-F213 HydrophobicContact CG2-CD2 4.04Å; I177-F213 HydrophobicContact CG2-CE1 3.8Å; I177-F213 HydrophobicContact CG2-CE2 4.12Å; I177-F213 HydrophobicContact CG2-CG 3.81Å; I177-F213 HydrophobicContact CG2-CZ 3.99Å; V183-F213 HydrophobicContact CG2-CB 4.14Å; L209-F213 HydrophobicContact CD1-CD2 4.3Å; L209-F213 HydrophobicContact CD1-CE2 3.82Å; L209-F213 HydrophobicContact CG-CD2 4.23Å; L209-F213 HydrophobicContact CG-CE2 4.1Å; L209-F213 WeakPolarHBondContact O-CD2 3.05Å; L209-F213 PolarHBondContact O-N 2.92Å; L210-F213 PolarHBondContact O-N 3.36Å; L211-F213 VanDerWaalsContact C-N 3.31Å; F213-V215 VanDerWaalsContact C-N 3.28Å; F213-V215 PolarHBondContact O-N 2.86Å; F213-K421 HydrophobicContact CE1-CG 4.39Å; F213-I424 HydrophobicContact CE2-CD1 4.4Å; F213-I424 HydrophobicContact CZ-CD1 3.69Å; F213-L443 HydrophobicContact CD1-CD1 4.21Å; F213-L443 HydrophobicContact CD2-CD1 4.22Å; F213-L443 HydrophobicContact CE1-CD1 3.72Å; F213-L443 HydrophobicContact CE2-CD1 3.74Å; F213-L443 HydrophobicContact CE2-CD2 4.29Å; F213-L443 HydrophobicContact CG-CD1 4.45Å; F213-L443 HydrophobicContact CZ-CD1 3.47Å; F213-L443 VanDerWaalsContact CZ-CD1 3.47Å; F213-L443 HydrophobicContact CZ-CD2 4.49Å
214	N	85	Confident	93.4	Very high	147 Å²	147	47.1 Å²	47.1	79%	0.786	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	37.4	176.3	-163.6	55.9	0	0	0	114.3
215	V	94.5	Very high	94.3	Very high	9 Å²	9	50.9 Å²	50.9	6%	0.055	25%	0.254	C	S	.	.			trans	-59.9	146.9	174.7	68.5	0	0	0	0	112.3	V183 D184 L194 L210 L211 F213 V217	V183-V215 HydrophobicContact CG1-CB 4.3Å; V183-V215 HydrophobicContact CG1-CG2 4.44Å; V183-V215 HydrophobicContact CG2-CB 3.86Å; V183-V215 HydrophobicContact CG2-CG2 3.95Å; D184-V215 WeakPolarHBondContact OD1-CG2 3.48Å; L194-V215 HydrophobicContact CB-CG2 4.1Å; L194-V215 HydrophobicContact CD2-CG1 3.88Å; L194-V215 HydrophobicContact CD2-CG2 4.21Å; L210-V215 HydrophobicContact CB-CG1 4.36Å; L210-V215 WeakPolarHBondContact O-CB 3.47Å; L210-V215 VanDerWaalsContact O-CG1 3.32Å; L210-V215 WeakPolarHBondContact O-CG1 3.28Å; L211-V215 HydrophobicContact CD2-CG1 3.88Å; F213-V215 VanDerWaalsContact C-N 3.28Å; F213-V215 PolarHBondContact O-N 2.86Å; V215-V217 HydrophobicContact CG1-CG2 4.48Å; V215-V217 PolarHBondContact O-N 2.72Å; V215-V217 VanDerWaalsContact O-N 3.07Å
216	S	97.9	Very high	94.9	Very high	55 Å²	55	48.6 Å²	48.6	39%	0.385	24%	0.242	S	C	.	.			trans	-77.1	94.3	176.7	-61.6	0	0	0	0	111.2	D184 N218 L219	D184-S216 WeakPolarHBondContact OD1-CB 3.29Å; D184-S216 PolarHBondContact OD1-N 2.89Å; D184-S216 WeakPolarHBondContact OD2-CB 3.48Å; D184-S216 PolarHBondContact OD2-N 3.28Å; D184-S216 VanDerWaalsContact OD2-N 3.1Å; D184-S216 PolarHBondContact OD2-OG 3.22Å; S216-N218 PolarHBondContact O-N 2.98Å; S216-N218 VanDerWaalsContact O-N 3.1Å; S216-L219 PolarHBondContact O-N 3.12Å
217	V	97.6	Very high	95.2	Very high	17 Å²	17	48.8 Å²	48.8	10%	0.103	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26	-173	-175.3	0	0	0	0	114.5	L211 V215 L244 A247 A249	L211-V217 HydrophobicContact CD2-CG2 3.75Å; V215-V217 HydrophobicContact CG1-CG2 4.48Å; V215-V217 PolarHBondContact O-N 2.72Å; V215-V217 VanDerWaalsContact O-N 3.07Å; V217-L244 HydrophobicContact CG1-CD2 3.97Å; V217-A247 HydrophobicContact CG2-CB 4.11Å; V217-A249 HydrophobicContact CG1-CB 3.65Å
218	N	97.8	Very high	95.4	Very high	80 Å²	80	48.9 Å²	48.9	43%	0.428	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	10.9	-170.1	-63.7	-50.4	0	0	0	114.6	S216 A249 N250	S216-N218 PolarHBondContact O-N 2.98Å; S216-N218 VanDerWaalsContact O-N 3.1Å; N218-A249 WeakPolarHBondContact OD1-CA 3.38Å; N218-N250 WeakPolarHBondContact OD1-CB 3.4Å; N218-N250 PolarHBondContact OD1-N 3.11Å
219	L	98	Very high	95.7	Very high	52 Å²	52	44.6 Å²	44.6	27%	0.272	23%	0.228	S	C	.	.			trans	-59.8	148.3	169	-65.5	175.1	0	0	0	109.6	D184 M186 T192 M195 S216 T227	D184-L219 HydrophobicContact CB-CD1 3.95Å; M186-L219 HydrophobicContact CE-CB 4.25Å; M186-L219 HydrophobicContact CE-CD1 4.03Å; M186-L219 HydrophobicContact CE-CD2 4.28Å; M186-L219 HydrophobicContact CE-CG 4.42Å; T192-L219 HydrophobicContact CG2-CB 4.29Å; T192-L219 HydrophobicContact CG2-CD1 3.86Å; M195-L219 HydrophobicContact CE-CB 3.94Å; M195-L219 WeakPolarHBondContact CE-O 3.22Å; S216-L219 PolarHBondContact O-N 3.12Å; L219-T227 VanDerWaalsContact O-CA 3.27Å; L219-T227 WeakPolarHBondContact O-CA 3.34Å; L219-T227 WeakPolarHBondContact O-CB 3.4Å
220	G	97.5	Very high	96	Very high	23 Å²	23	44.6 Å²	44.6	24%	0.237	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-117.1	144.8	175.4	0	0	0	0	0	110.5	M195 N226	M195-G220 VanDerWaalsContact CE-C 3.44Å; G220-N226 WeakPolarHBondContact CA-O 3.44Å
221	D	97.9	Very high	96.1	Very high	3 Å²	3	46 Å²	46	2%	0.016	23%	0.233	C	C	.	.			trans	-64.5	168.5	178.1	77.5	89	0	0	0	112.5	G190 M191 M195 Y223 H224 K225 N226	G190-D221 WeakPolarHBondContact O-CA 3.24Å; M191-D221 HydrophobicContact CG-CB 4.22Å; M191-D221 HydrophobicContact SD-CB 3.66Å; M195-D221 HydrophobicContact SD-CB 4.02Å; D221-Y223 PolarHBondContact OD1-N 2.91Å; D221-H224 IonicContact OD1-CD2 3.84Å; D221-H224 PolarHBondContact OD1-N 3.41Å; D221-H224 WeakPolarHBondContact OD2-CB 3.3Å; D221-K225 WeakPolarHBondContact O-CA 3.43Å; D221-K225 PolarHBondContact O-N 3.04Å; D221-K225 PolarHBondContact OD2-N 3.33Å; D221-N226 PolarHBondContact N-O 3.44Å; D221-N226 WeakPolarHBondContact OD2-CA 3.38Å; D221-N226 VanDerWaalsContact OD2-CB 3.22Å; D221-N226 WeakPolarHBondContact OD2-CB 3.38Å; D221-N226 PolarHBondContact OD2-N 3.12Å
222	K	97.4	Very high	96.2	Very high	117 Å²	117	44.2 Å²	44.2	51%	0.509	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-43.4	-173.3	-174.4	179	176.3	-173.3	0	112.9	N189	N189-K222 WeakPolarHBondContact O-CB 3.46Å; N189-K222 PolarHBondContact O-N 3.35Å; N189-K222 VanDerWaalsContact O-N 3.1Å
223	Y	95.7	Very high	96.6	Very high	115 Å²	115	42.1 Å²	42.1	45%	0.451	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-41.7	-165.3	-61.5	-66	0	0	0	112.9	N189 D221	N189-Y223 HydrophobicContact CB-CD2 4.33Å; N189-Y223 HydrophobicContact CB-CE2 3.98Å; D221-Y223 PolarHBondContact OD1-N 2.91Å
224	H	96.3	Very high	96.8	Very high	85 Å²	85	43.4 Å²	43.4	39%	0.394	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-16	-177.7	-54.4	-55.4	0	0	0	112.6	D221 N226 W231 N255 I256	D221-H224 IonicContact OD1-CD2 3.84Å; D221-H224 PolarHBondContact OD1-N 3.41Å; D221-H224 WeakPolarHBondContact OD2-CB 3.3Å; H224-N226 HydrophobicContact CB-CB 4.21Å; H224-N226 WeakPolarHBondContact CB-ND2 3.01Å; H224-N226 PolarHBondContact O-N 3.01Å; H224-W231 AromaticContact CD2-CH2 3.92Å; H224-W231 AromaticContact CD2-CZ2 3.94Å; H224-N255 VanDerWaalsContact O-CB 3.28Å; H224-N255 WeakPolarHBondContact O-CB 3.39Å; H224-I256 WeakPolarHBondContact O-CG2 3.48Å; H224-I256 PolarHBondContact O-N 3.08Å
225	K	97.8	Very high	97.3	Very high	113 Å²	113	37.7 Å²	37.7	49%	0.491	19%	0.192	S	C	.	.			trans	55.7	24.4	-168.3	-57	-69.9	176.8	-170.6	0	112.2	D221 I256	D221-K225 WeakPolarHBondContact O-CA 3.43Å; D221-K225 PolarHBondContact O-N 3.04Å; D221-K225 PolarHBondContact OD2-N 3.33Å; K225-I256 HydrophobicContact CG-CB 4.43Å
226	N	98.4	Very high	97.3	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.043	20%	0.204	C	C	.	.			trans	-72.9	128.5	174.1	-75.9	-29.6	0	0	0	109	G220 D221 H224 H230 W231 N255	G220-N226 WeakPolarHBondContact CA-O 3.44Å; D221-N226 PolarHBondContact N-O 3.44Å; D221-N226 WeakPolarHBondContact OD2-CA 3.38Å; D221-N226 VanDerWaalsContact OD2-CB 3.22Å; D221-N226 WeakPolarHBondContact OD2-CB 3.38Å; D221-N226 PolarHBondContact OD2-N 3.12Å; H224-N226 HydrophobicContact CB-CB 4.21Å; H224-N226 WeakPolarHBondContact CB-ND2 3.01Å; H224-N226 PolarHBondContact O-N 3.01Å; N226-H230 HydrophobicContact CB-CB 3.68Å; N226-W231 HydrophobicContact CB-CD2 4.37Å; N226-W231 HydrophobicContact CB-CG 4.46Å; N226-W231 HydrophobicContact CB-CZ2 4.16Å; N226-N255 WeakPolarHBondContact OD1-CB 3.15Å; N226-N255 PolarHBondContact OD1-ND2 3.15Å; N226-N255 VanDerWaalsContact OD1-ND2 3.11Å
227	T	98.4	Very high	97.1	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.031	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-78.2	169.3	169.2	69.9	0	0	0	0	111.3	L219 L229 H230 W231 A253	L219-T227 VanDerWaalsContact O-CA 3.27Å; L219-T227 WeakPolarHBondContact O-CA 3.34Å; L219-T227 WeakPolarHBondContact O-CB 3.4Å; T227-L229 PolarHBondContact O-N 3.43Å; T227-L229 VanDerWaalsContact O-N 3.09Å; T227-L229 PolarHBondContact OG1-N 2.85Å; T227-H230 PolarHBondContact N-ND1 3.17Å; T227-H230 VanDerWaalsContact N-ND1 3.18Å; T227-H230 WeakPolarHBondContact O-CB 3.31Å; T227-H230 PolarHBondContact O-N 3.33Å; T227-H230 PolarHBondContact OG1-ND1 3.38Å; T227-W231 VanDerWaalsContact O-CD1 3.24Å; T227-W231 PolarHBondContact O-N 2.92Å; T227-W231 VanDerWaalsContact O-N 3.13Å; T227-A253 HydrophobicContact CG2-CB 4.01Å
228	A	98.1	Very high	96.9	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-53.5	-31.3	173	0	0	0	0	0	112.8	L194 M195 A198 W231 A232 L244	L194-A228 HydrophobicContact CD2-CB 3.94Å; L194-A228 HydrophobicContact CG-CB 3.77Å; M195-A228 HydrophobicContact CG-CB 4.26Å; A198-A228 HydrophobicContact CB-CB 4.24Å; A198-A228 WeakPolarHBondContact CB-O 3.28Å; A228-W231 PolarHBondContact O-N 2.88Å; A228-A232 WeakPolarHBondContact O-CB 3.31Å; A228-A232 PolarHBondContact O-N 2.81Å; A228-L244 HydrophobicContact CB-CD1 4.07Å; A228-L244 HydrophobicContact CB-CD2 4.1Å
229	L	98.2	Very high	96.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-69.3	-38.8	176.3	-174	62.8	0	0	0	112.5	T227 A232 V233 I241 L244 L245 A249 V251 A261 L277	T227-L229 PolarHBondContact O-N 3.43Å; T227-L229 VanDerWaalsContact O-N 3.09Å; T227-L229 PolarHBondContact OG1-N 2.85Å; L229-A232 PolarHBondContact O-N 3.01Å; L229-V233 WeakPolarHBondContact O-CG2 3.38Å; L229-V233 PolarHBondContact O-N 2.97Å; L229-I241 HydrophobicContact CD1-CG1 4.39Å; L229-I241 HydrophobicContact CD1-CG2 4.21Å; L229-L244 HydrophobicContact CB-CD1 4.31Å; L229-L244 HydrophobicContact CD1-CB 4.25Å; L229-L244 HydrophobicContact CD1-CD1 4.29Å; L229-L245 HydrophobicContact CD1-CD2 4.32Å; L229-L245 HydrophobicContact CD1-CG 4.49Å; L229-L245 HydrophobicContact CD2-CD2 4.04Å; L229-A249 HydrophobicContact CB-CB 4.25Å; L229-A249 HydrophobicContact CD2-CB 4.02Å; L229-V251 HydrophobicContact CD2-CG2 4.21Å; L229-A261 HydrophobicContact CB-CB 4.42Å; L229-A261 HydrophobicContact CD2-CB 3.85Å; L229-A261 HydrophobicContact CG-CB 3.69Å; L229-L277 HydrophobicContact CD1-CD2 4.1Å; L229-L277 HydrophobicContact CD2-CD2 4.02Å; L229-L277 HydrophobicContact CG-CD2 4.34Å
230	H	98.5	Very high	96.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-47.8	173.4	-67.6	83	0	0	0	110.4	N226 T227 A232 V233 L234 A253 E259 A261 L264	N226-H230 HydrophobicContact CB-CB 3.68Å; T227-H230 PolarHBondContact N-ND1 3.17Å; T227-H230 VanDerWaalsContact N-ND1 3.18Å; T227-H230 WeakPolarHBondContact O-CB 3.31Å; T227-H230 PolarHBondContact O-N 3.33Å; T227-H230 PolarHBondContact OG1-ND1 3.38Å; H230-A232 PolarHBondContact O-N 3.36Å; H230-V233 PolarHBondContact O-N 2.87Å; H230-L234 WeakPolarHBondContact O-CG 3.29Å; H230-L234 PolarHBondContact O-N 3.28Å; H230-A253 PolarHBondContact CE1-O 3.02Å; H230-A253 PolarHBondContact NE2-O 3.31Å; H230-A253 VanDerWaalsContact NE2-O 3.15Å; H230-E259 PolarHBondContact NE2-O 2.8Å; H230-E259 VanDerWaalsContact NE2-O 3.12Å; H230-A261 PolarHBondContact NE2-N 3.2Å; H230-L264 HydrophobicContact CB-CD1 4.08Å
231	W	97.7	Very high	96.4	Very high	30 Å²	30	33.8 Å²	33.8	11%	0.114	17%	0.172	C	C	.	.	H	α-helix	trans	-61.2	-41.3	177.7	-72.6	116.1	0	0	0	113	M191 A198 Y199 H224 N226 T227 A228 V233 L234 A235	M191-W231 HydrophobicContact CE-CD2 4.15Å; M191-W231 HydrophobicContact CE-CG 4.4Å; M191-W231 HydrophobicContact CE-CZ2 4.16Å; M191-W231 VanDerWaalsContact SD-CE2 3.58Å; M191-W231 HydrophobicContact SD-CZ2 3.72Å; M191-W231 PolarHBondContact SD-NE1 3.34Å; M191-W231 VanDerWaalsContact SD-NE1 3.36Å; A198-W231 HydrophobicContact CB-CB 4.49Å; Y199-W231 HydrophobicContact CD1-CE3 4.26Å; Y199-W231 HydrophobicContact CD1-CZ3 4.45Å; Y199-W231 AromaticContact CD2-CE3 3.77Å; Y199-W231 HydrophobicContact CD2-CE3 3.77Å; Y199-W231 HydrophobicContact CD2-CZ3 4.34Å; Y199-W231 HydrophobicContact CE1-CZ3 4.43Å; Y199-W231 HydrophobicContact CE2-CE3 4.17Å; Y199-W231 HydrophobicContact CE2-CZ3 4.33Å; Y199-W231 AromaticContact CG-CE3 3.85Å; Y199-W231 HydrophobicContact CG-CE3 3.85Å; Y199-W231 HydrophobicContact CG-CZ3 4.44Å; H224-W231 AromaticContact CD2-CH2 3.92Å; H224-W231 AromaticContact CD2-CZ2 3.94Å; N226-W231 HydrophobicContact CB-CD2 4.37Å; N226-W231 HydrophobicContact CB-CG 4.46Å; N226-W231 HydrophobicContact CB-CZ2 4.16Å; T227-W231 VanDerWaalsContact O-CD1 3.24Å; T227-W231 PolarHBondContact O-N 2.92Å; T227-W231 VanDerWaalsContact O-N 3.13Å; A228-W231 PolarHBondContact O-N 2.88Å; W231-V233 VanDerWaalsContact C-N 3.33Å; W231-V233 PolarHBondContact O-N 3.17Å; W231-L234 HydrophobicContact CE3-CD1 3.93Å; W231-L234 HydrophobicContact CZ3-CD1 4.13Å; W231-L234 PolarHBondContact O-N 3.42Å; W231-A235 WeakPolarHBondContact O-CB 2.82Å; W231-A235 PolarHBondContact O-N 3.36Å
232	A	97	Very high	96.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.5	-40.3	174.7	0	0	0	0	0	112.1	A198 A228 L229 H230 A235 G236 N237 V240 I241 L244	A198-A232 HydrophobicContact CB-CB 4.15Å; A228-A232 WeakPolarHBondContact O-CB 3.31Å; A228-A232 PolarHBondContact O-N 2.81Å; L229-A232 PolarHBondContact O-N 3.01Å; H230-A232 PolarHBondContact O-N 3.36Å; A232-A235 PolarHBondContact O-N 3.21Å; A232-G236 PolarHBondContact O-N 3.44Å; A232-G236 VanDerWaalsContact O-N 3.1Å; A232-N237 PolarHBondContact O-N 2.74Å; A232-V240 HydrophobicContact CB-CB 4.46Å; A232-V240 HydrophobicContact CB-CG1 4Å; A232-I241 HydrophobicContact CB-CG1 3.73Å; A232-L244 HydrophobicContact CB-CD1 4Å
233	V	97.6	Very high	96	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67.5	-43.1	175.8	169.6	0	0	0	0	111.7	L229 H230 W231 A235 G236 I241 A261 L264 A265 M273 L277	L229-V233 WeakPolarHBondContact O-CG2 3.38Å; L229-V233 PolarHBondContact O-N 2.97Å; H230-V233 PolarHBondContact O-N 2.87Å; W231-V233 VanDerWaalsContact C-N 3.33Å; W231-V233 PolarHBondContact O-N 3.17Å; V233-A235 VanDerWaalsContact C-N 3.29Å; V233-A235 PolarHBondContact O-N 2.68Å; V233-G236 PolarHBondContact O-N 2.91Å; V233-I241 HydrophobicContact CG2-CD1 3.84Å; V233-I241 HydrophobicContact CG2-CG1 4.27Å; V233-A261 HydrophobicContact CG2-CB 4.18Å; V233-L264 HydrophobicContact CG1-CB 3.84Å; V233-A265 HydrophobicContact CG1-CB 3.95Å; V233-M273 HydrophobicContact CB-SD 4.33Å; V233-M273 HydrophobicContact CG1-CE 4.05Å; V233-M273 HydrophobicContact CG1-SD 4.1Å; V233-M273 HydrophobicContact CG2-SD 4.28Å; V233-L277 HydrophobicContact CG2-CD1 3.97Å
234	L	96.2	Very high	96	Very high	52 Å²	52	25.2 Å²	25.2	27%	0.272	14%	0.143	S	C	.	.	H	α-helix	trans	-60.8	-39.6	176.6	-71.4	170.1	0	0	0	111.6	H230 W231 G236 L264	H230-L234 WeakPolarHBondContact O-CG 3.29Å; H230-L234 PolarHBondContact O-N 3.28Å; W231-L234 HydrophobicContact CE3-CD1 3.93Å; W231-L234 HydrophobicContact CZ3-CD1 4.13Å; W231-L234 PolarHBondContact O-N 3.42Å; L234-G236 VanDerWaalsContact C-N 3.28Å; L234-G236 PolarHBondContact O-N 2.94Å; L234-L264 HydrophobicContact CD1-CD1 4.41Å; L234-L264 HydrophobicContact CD2-CD1 4.13Å; L234-L264 HydrophobicContact CD2-CD2 4.46Å; L234-L264 HydrophobicContact CG-CD1 4.07Å
235	A	95.2	Very high	95.9	Very high	27 Å²	27	22.6 Å²	22.6	22%	0.223	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-10.9	174.5	0	0	0	0	0	114.3	Y199 W231 A232 V233 N237	Y199-A235 HydrophobicContact CD2-CB 4.13Å; Y199-A235 VanDerWaalsContact O-CB 3.31Å; Y199-A235 WeakPolarHBondContact O-CB 3.4Å; W231-A235 WeakPolarHBondContact O-CB 2.82Å; W231-A235 PolarHBondContact O-N 3.36Å; A232-A235 PolarHBondContact O-N 3.21Å; V233-A235 VanDerWaalsContact C-N 3.29Å; V233-A235 PolarHBondContact O-N 2.68Å; A235-N237 HydrophobicContact CB-CB 4.16Å; A235-N237 PolarHBondContact O-N 2.73Å
236	G	94.6	Very high	95.5	Very high	30 Å²	30	24.8 Å²	24.8	31%	0.309	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	25.9	-171.9	0	0	0	0	0	113.5	A232 V233 L234 T238	A232-G236 PolarHBondContact O-N 3.44Å; A232-G236 VanDerWaalsContact O-N 3.1Å; V233-G236 PolarHBondContact O-N 2.91Å; L234-G236 VanDerWaalsContact C-N 3.28Å; L234-G236 PolarHBondContact O-N 2.94Å; G236-T238 PolarHBondContact O-N 3.17Å
237	N	93.7	Very high	95.2	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.027	16%	0.158	C	C	.	.			trans	-83.8	77.6	-172.4	-167.6	-10.2	0	0	0	111.8	A198 T201 A232 A235 T239 V240 I241	A198-N237 PolarHBondContact O-ND2 3.4Å; T201-N237 PolarHBondContact O-ND2 3.39Å; A232-N237 PolarHBondContact O-N 2.74Å; A235-N237 HydrophobicContact CB-CB 4.16Å; A235-N237 PolarHBondContact O-N 2.73Å; N237-T239 VanDerWaalsContact C-N 3.26Å; N237-T239 PolarHBondContact O-N 3.14Å; N237-V240 HydrophobicContact CB-CB 4.34Å; N237-V240 WeakPolarHBondContact ND2-CG2 3.43Å; N237-V240 PolarHBondContact O-N 3.17Å; N237-V240 PolarHBondContact OD1-N 2.91Å; N237-I241 WeakPolarHBondContact O-CG1 3.32Å; N237-I241 PolarHBondContact O-N 2.95Å
238	T	92.9	Very high	94.9	Very high	54 Å²	54	27.6 Å²	27.6	33%	0.331	17%	0.171	S	C	.	.	H	α-helix	trans	-54.3	-39.5	-175	57	0	0	0	0	113.4	G236 I241 S242 W272	G236-T238 PolarHBondContact O-N 3.17Å; T238-I241 WeakPolarHBondContact O-CB 3.29Å; T238-I241 PolarHBondContact O-N 2.87Å; T238-S242 PolarHBondContact O-N 3.49Å; T238-S242 PolarHBondContact O-OG 3.35Å; T238-W272 HydrophobicContact CG2-CD2 3.98Å; T238-W272 HydrophobicContact CG2-CE3 3.39Å; T238-W272 HydrophobicContact CG2-CH2 4.16Å; T238-W272 HydrophobicContact CG2-CZ3 3.53Å; T238-W272 VanDerWaalsContact O-CH2 3.25Å; T238-W272 WeakPolarHBondContact O-CH2 3.31Å
239	T	91.9	Very high	94.8	Very high	64 Å²	64	27.6 Å²	27.6	39%	0.393	17%	0.171	S	C	.	.	H	α-helix	trans	-69.3	-40.4	-177.9	-46.2	0	0	0	0	112.4	V204 N237 S242 L243	V204-T239 HydrophobicContact CB-CG2 4.41Å; V204-T239 HydrophobicContact CG1-CG2 4.25Å; V204-T239 HydrophobicContact CG2-CG2 3.32Å; N237-T239 VanDerWaalsContact C-N 3.26Å; N237-T239 PolarHBondContact O-N 3.14Å; T239-S242 PolarHBondContact O-N 3.15Å; T239-L243 PolarHBondContact O-N 3.5Å
240	V	95	Very high	94.6	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-70.4	-35.2	175.6	170	0	0	0	0	111.4	A198 T207 A232 N237 S242 L243 L244	A198-V240 HydrophobicContact CB-CG1 3.84Å; T207-V240 HydrophobicContact CG2-CB 4.48Å; T207-V240 HydrophobicContact CG2-CG1 3.8Å; T207-V240 HydrophobicContact CG2-CG2 4.18Å; T207-V240 WeakPolarHBondContact OG1-CG2 3.43Å; A232-V240 HydrophobicContact CB-CB 4.46Å; A232-V240 HydrophobicContact CB-CG1 4Å; N237-V240 HydrophobicContact CB-CB 4.34Å; N237-V240 WeakPolarHBondContact ND2-CG2 3.43Å; N237-V240 PolarHBondContact O-N 3.17Å; N237-V240 PolarHBondContact OD1-N 2.91Å; V240-S242 VanDerWaalsContact C-N 3.34Å; V240-S242 PolarHBondContact O-N 3.4Å; V240-L243 PolarHBondContact O-N 2.89Å; V240-L244 HydrophobicContact CG1-CD1 3.63Å; V240-L244 HydrophobicContact CG1-CG 3.89Å; V240-L244 WeakPolarHBondContact O-CB 3.49Å; V240-L244 VanDerWaalsContact O-CG 3.31Å; V240-L244 WeakPolarHBondContact O-CG 3.35Å; V240-L244 PolarHBondContact O-N 3.29Å
241	I	95.7	Very high	94.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-54.7	-50.5	173.2	-69	166.8	0	0	0	110.3	L229 A232 V233 N237 T238 L243 L244 L245 W272 M273 L277	L229-I241 HydrophobicContact CD1-CG1 4.39Å; L229-I241 HydrophobicContact CD1-CG2 4.21Å; A232-I241 HydrophobicContact CB-CG1 3.73Å; V233-I241 HydrophobicContact CG2-CD1 3.84Å; V233-I241 HydrophobicContact CG2-CG1 4.27Å; N237-I241 WeakPolarHBondContact O-CG1 3.32Å; N237-I241 PolarHBondContact O-N 2.95Å; T238-I241 WeakPolarHBondContact O-CB 3.29Å; T238-I241 PolarHBondContact O-N 2.87Å; I241-L243 PolarHBondContact O-N 3.33Å; I241-L244 PolarHBondContact O-N 3.22Å; I241-L245 HydrophobicContact CG2-CD1 3.77Å; I241-L245 HydrophobicContact CG2-CG 4.34Å; I241-L245 VanDerWaalsContact O-CG 3.23Å; I241-L245 WeakPolarHBondContact O-CG 3.16Å; I241-L245 PolarHBondContact O-N 3.16Å; I241-W272 HydrophobicContact CB-CZ3 4.4Å; I241-W272 HydrophobicContact CD1-CZ3 4.38Å; I241-W272 HydrophobicContact CG2-CZ3 4.31Å; I241-M273 HydrophobicContact CD1-CG 3.77Å; I241-M273 HydrophobicContact CD1-SD 3.41Å; I241-M273 WeakPolarHBondContact CD1-SD 3.37Å; I241-L277 HydrophobicContact CG2-CD2 4.3Å
242	S	93.3	Very high	94.1	Very high	38 Å²	38	30.6 Å²	30.6	27%	0.266	19%	0.189	S	C	.	.	H	α-helix	trans	-57.8	-46.2	177.9	-62.1	0	0	0	0	112.5	T238 T239 V240 L244 L245 E246	T238-S242 PolarHBondContact O-N 3.49Å; T238-S242 PolarHBondContact O-OG 3.35Å; T239-S242 PolarHBondContact O-N 3.15Å; V240-S242 VanDerWaalsContact C-N 3.34Å; V240-S242 PolarHBondContact O-N 3.4Å; S242-L244 PolarHBondContact O-N 2.99Å; S242-L245 PolarHBondContact O-N 2.92Å; S242-E246 WeakPolarHBondContact O-CB 3.27Å; S242-E246 WeakPolarHBondContact O-CG 3.38Å; S242-E246 PolarHBondContact O-N 3.41Å
243	L	92.8	Very high	94.1	Very high	18 Å²	18	31.4 Å²	31.4	9%	0.094	20%	0.197	C	C	.	.	H	α-helix	trans	-62.2	-43	178.3	-74.7	-177.3	0	0	0	113.2	V204 T207 R208 L211 T239 V240 I241 L245 E246 A247	V204-L243 HydrophobicContact CG1-CD1 3.44Å; V204-L243 VanDerWaalsContact CG1-CD1 3.44Å; V204-L243 HydrophobicContact CG1-CG 4.3Å; T207-L243 HydrophobicContact CG2-CB 4.4Å; T207-L243 HydrophobicContact CG2-CD1 4.01Å; R208-L243 HydrophobicContact CB-CD1 4.16Å; L211-L243 HydrophobicContact CD1-CB 3.88Å; T239-L243 PolarHBondContact O-N 3.5Å; V240-L243 PolarHBondContact O-N 2.89Å; I241-L243 PolarHBondContact O-N 3.33Å; L243-L245 VanDerWaalsContact C-N 3.34Å; L243-E246 PolarHBondContact O-N 3.01Å; L243-A247 WeakPolarHBondContact O-CB 3.5Å; L243-A247 PolarHBondContact O-N 3.49Å
244	L	96	Very high	94	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.4	-40.2	179.4	-71.3	173.5	0	0	0	111	L194 A198 L211 V217 A228 L229 A232 V240 I241 S242 A247 G248 A249	L194-L244 HydrophobicContact CD1-CD2 4.11Å; L194-L244 HydrophobicContact CD2-CD2 3.99Å; L194-L244 HydrophobicContact CG-CD2 4.23Å; A198-L244 HydrophobicContact CB-CD1 4.47Å; L211-L244 HydrophobicContact CD2-CD2 4.43Å; V217-L244 HydrophobicContact CG1-CD2 3.97Å; A228-L244 HydrophobicContact CB-CD1 4.07Å; A228-L244 HydrophobicContact CB-CD2 4.1Å; L229-L244 HydrophobicContact CB-CD1 4.31Å; L229-L244 HydrophobicContact CD1-CB 4.25Å; L229-L244 HydrophobicContact CD1-CD1 4.29Å; A232-L244 HydrophobicContact CB-CD1 4Å; V240-L244 HydrophobicContact CG1-CD1 3.63Å; V240-L244 HydrophobicContact CG1-CG 3.89Å; V240-L244 WeakPolarHBondContact O-CB 3.49Å; V240-L244 VanDerWaalsContact O-CG 3.31Å; V240-L244 WeakPolarHBondContact O-CG 3.35Å; V240-L244 PolarHBondContact O-N 3.29Å; I241-L244 PolarHBondContact O-N 3.22Å; S242-L244 PolarHBondContact O-N 2.99Å; L244-A247 CarbonylContact O-C 3.41Å; L244-A247 PolarHBondContact O-N 3.37Å; L244-G248 PolarHBondContact O-N 2.65Å; L244-G248 VanDerWaalsContact O-N 3.14Å; L244-A249 HydrophobicContact CB-CB 3.94Å; L244-A249 WeakPolarHBondContact O-CB 3.43Å; L244-A249 PolarHBondContact O-N 2.92Å
245	L	94	Very high	94.1	Very high	29 Å²	29	36.1 Å²	36.1	15%	0.152	22%	0.217	C	C	.	.	H	α-helix	trans	-65.7	-42.3	175.9	-65.3	173.1	0	0	0	111.7	L229 I241 S242 L243 A247 G248 V251 L277 A280	L229-L245 HydrophobicContact CD1-CD2 4.32Å; L229-L245 HydrophobicContact CD1-CG 4.49Å; L229-L245 HydrophobicContact CD2-CD2 4.04Å; I241-L245 HydrophobicContact CG2-CD1 3.77Å; I241-L245 HydrophobicContact CG2-CG 4.34Å; I241-L245 VanDerWaalsContact O-CG 3.23Å; I241-L245 WeakPolarHBondContact O-CG 3.16Å; I241-L245 PolarHBondContact O-N 3.16Å; S242-L245 PolarHBondContact O-N 2.92Å; L243-L245 VanDerWaalsContact C-N 3.34Å; L245-A247 VanDerWaalsContact C-N 3.26Å; L245-A247 PolarHBondContact O-N 3.2Å; L245-G248 PolarHBondContact O-N 3.42Å; L245-V251 HydrophobicContact CD2-CG2 3.5Å; L245-L277 HydrophobicContact CD1-CD2 4.21Å; L245-L277 HydrophobicContact CD2-CD2 4.08Å; L245-A280 HydrophobicContact CB-CB 4.28Å; L245-A280 HydrophobicContact CD1-CB 3.84Å; L245-A280 HydrophobicContact CD2-CB 3.72Å; L245-A280 HydrophobicContact CG-CB 4.14Å
246	E	90	Very high	94.2	Very high	159 Å²	159	40.2 Å²	40.2	74%	0.743	24%	0.235	S	C	*	.	H	α-helix	trans	-60.7	-35.7	172.5	-74.3	173.7	-171.6	0	0	112.1	S242 L243 G248	S242-E246 WeakPolarHBondContact O-CB 3.27Å; S242-E246 WeakPolarHBondContact O-CG 3.38Å; S242-E246 PolarHBondContact O-N 3.41Å; L243-E246 PolarHBondContact O-N 3.01Å; E246-G248 PolarHBondContact O-N 3.39Å
247	A	92.6	Very high	94.3	Very high	42 Å²	42	46.3 Å²	46.3	35%	0.347	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	5.9	174.5	0	0	0	0	0	114.2	L211 V217 L243 L244 L245	L211-A247 HydrophobicContact CD1-CB 3.95Å; L211-A247 HydrophobicContact CD2-CB 3.49Å; L211-A247 VanDerWaalsContact CD2-CB 3.49Å; L211-A247 HydrophobicContact CG-CB 4.23Å; V217-A247 HydrophobicContact CG2-CB 4.11Å; L243-A247 WeakPolarHBondContact O-CB 3.5Å; L243-A247 PolarHBondContact O-N 3.49Å; L244-A247 CarbonylContact O-C 3.41Å; L244-A247 PolarHBondContact O-N 3.37Å; L245-A247 VanDerWaalsContact C-N 3.26Å; L245-A247 PolarHBondContact O-N 3.2Å
248	G	92.2	Very high	94.5	Very high	31 Å²	31	47.8 Å²	47.8	32%	0.32	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	18.1	172	0	0	0	0	0	115.7	L244 L245 E246 N250 K284	L244-G248 PolarHBondContact O-N 2.65Å; L244-G248 VanDerWaalsContact O-N 3.14Å; L245-G248 PolarHBondContact O-N 3.42Å; E246-G248 PolarHBondContact O-N 3.39Å; G248-N250 PolarHBondContact O-N 3.01Å; G248-K284 PolarHBondContact O-NZ 3.07Å
249	A	95.5	Very high	94.7	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.008	26%	0.261	C	S	.	.			trans	-48.9	139.9	174.4	0	0	0	0	0	112.5	V217 N218 L229 L244 V251 K284	V217-A249 HydrophobicContact CG1-CB 3.65Å; N218-A249 WeakPolarHBondContact OD1-CA 3.38Å; L229-A249 HydrophobicContact CB-CB 4.25Å; L229-A249 HydrophobicContact CD2-CB 4.02Å; L244-A249 HydrophobicContact CB-CB 3.94Å; L244-A249 WeakPolarHBondContact O-CB 3.43Å; L244-A249 PolarHBondContact O-N 2.92Å; A249-V251 PolarHBondContact O-N 3.07Å; A249-K284 PolarHBondContact O-NZ 2.9Å
250	N	94.2	Very high	94.9	Very high	49 Å²	49	44.2 Å²	44.2	26%	0.262	25%	0.245	S	C	.	.			trans	-82.4	108	179.2	-175.1	8.4	0	0	0	110	N218 G248 D252 A253	N218-N250 WeakPolarHBondContact OD1-CB 3.4Å; N218-N250 PolarHBondContact OD1-N 3.11Å; G248-N250 PolarHBondContact O-N 3.01Å; N250-D252 PolarHBondContact O-N 3.03Å; N250-D252 PolarHBondContact OD1-N 2.62Å; N250-A253 HydrophobicContact CB-CB 4.02Å; N250-A253 PolarHBondContact ND2-N 3.1Å; N250-A253 PolarHBondContact O-N 3.44Å; N250-A253 PolarHBondContact OD1-N 3.04Å
251	V	93.8	Very high	95	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.018	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-28.9	177.3	-178.7	0	0	0	0	111.6	L229 L245 A249 S260 L262 L277 A280 R281	L229-V251 HydrophobicContact CD2-CG2 4.21Å; L245-V251 HydrophobicContact CD2-CG2 3.5Å; A249-V251 PolarHBondContact O-N 3.07Å; V251-S260 WeakPolarHBondContact O-CB 3.13Å; V251-L262 HydrophobicContact CG1-CB 4.14Å; V251-L277 HydrophobicContact CG1-CB 4.09Å; V251-L277 HydrophobicContact CG1-CD2 4.2Å; V251-L277 HydrophobicContact CG2-CD2 4.25Å; V251-A280 HydrophobicContact CG2-CB 4.26Å; V251-R281 HydrophobicContact CB-CB 4.49Å; V251-R281 HydrophobicContact CG1-CB 4.36Å
252	D	92.8	Very high	95	Very high	40 Å²	40	44.4 Å²	44.4	21%	0.214	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	3.5	-176.1	-66.6	-34.5	0	0	0	112.9	N250 Q254 R281	N250-D252 PolarHBondContact O-N 3.03Å; N250-D252 PolarHBondContact OD1-N 2.62Å; D252-Q254 PolarHBondContact O-N 3.19Å; D252-R281 WeakPolarHBondContact OD1-CD 3.31Å; D252-R281 IonicContact OD1-CZ 3.94Å; D252-R281 VanDerWaalsContact OD1-CZ 3.31Å; D252-R281 IonicContact OD1-NE 2.66Å; D252-R281 PolarHBondContact OD1-NE 2.97Å; D252-R281 IonicContact OD1-NH2 3.63Å; D252-R281 IonicContact OD2-CZ 3.64Å; D252-R281 IonicContact OD2-NE 2.9Å; D252-R281 PolarHBondContact OD2-NE 3.07Å; D252-R281 IonicContact OD2-NH2 2.84Å
253	A	95.5	Very high	95.2	Very high	18 Å²	18	45.2 Å²	45.2	15%	0.149	25%	0.248	C	C	.	.			trans	-59.7	130.8	170.9	0	0	0	0	0	108.8	T227 H230 N250 S260	T227-A253 HydrophobicContact CG2-CB 4.01Å; H230-A253 PolarHBondContact CE1-O 3.02Å; H230-A253 PolarHBondContact NE2-O 3.31Å; H230-A253 VanDerWaalsContact NE2-O 3.15Å; N250-A253 HydrophobicContact CB-CB 4.02Å; N250-A253 PolarHBondContact ND2-N 3.1Å; N250-A253 PolarHBondContact O-N 3.44Å; N250-A253 PolarHBondContact OD1-N 3.04Å; A253-S260 WeakPolarHBondContact O-CA 3.29Å
254	Q	97	Very high	95.4	Very high	137 Å²	137	44.8 Å²	44.8	64%	0.64	25%	0.245	S	C	*	.	B	Isolated β-bridge	trans	-101.2	135	-179.9	-69	178.5	-9.9	0	0	110.1	D252	D252-Q254 PolarHBondContact O-N 3.19Å
255	N	97.6	Very high	95.5	Very high	13 Å²	13	44.8 Å²	44.8	7%	0.07	25%	0.245	C	C	.	.			trans	-76.5	-176.8	169.1	78.4	4.1	0	0	0	110.8	H224 N226 K257 G258 E259	H224-N255 VanDerWaalsContact O-CB 3.28Å; H224-N255 WeakPolarHBondContact O-CB 3.39Å; N226-N255 WeakPolarHBondContact OD1-CB 3.15Å; N226-N255 PolarHBondContact OD1-ND2 3.15Å; N226-N255 VanDerWaalsContact OD1-ND2 3.11Å; N255-K257 PolarHBondContact O-N 3.06Å; N255-K257 VanDerWaalsContact O-N 3.15Å; N255-K257 WeakPolarHBondContact OD1-CA 3.38Å; N255-K257 WeakPolarHBondContact OD1-CB 3.35Å; N255-K257 PolarHBondContact OD1-N 3.03Å; N255-G258 PolarHBondContact O-N 2.93Å; N255-G258 PolarHBondContact OD1-N 3.42Å; N255-E259 PolarHBondContact N-O 2.91Å; N255-E259 PolarHBondContact ND2-OE2 3.2Å; N255-E259 WeakPolarHBondContact OD1-CB 3.5Å; N255-E259 PolarHBondContact OD1-N 2.94Å; N255-E259 PolarHBondContact OD1-O 3.41Å
256	I	97.6	Very high	95.6	Very high	114 Å²	114	48 Å²	48	59%	0.585	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.9	-178.3	-162.4	162.2	0	0	0	113.8	H224 K225 G258	H224-I256 WeakPolarHBondContact O-CG2 3.48Å; H224-I256 PolarHBondContact O-N 3.08Å; K225-I256 HydrophobicContact CG-CB 4.43Å; I256-G258 VanDerWaalsContact C-N 3.28Å
257	K	96.6	Very high	95.8	Very high	157 Å²	157	46 Å²	46	68%	0.683	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	2.8	176.2	-60.8	-176.7	-179.5	179.6	0	112.7	N255 E259	N255-K257 PolarHBondContact O-N 3.06Å; N255-K257 VanDerWaalsContact O-N 3.15Å; N255-K257 WeakPolarHBondContact OD1-CA 3.38Å; N255-K257 WeakPolarHBondContact OD1-CB 3.35Å; N255-K257 PolarHBondContact OD1-N 3.03Å; K257-E259 HydrophobicContact CB-CG 3.91Å; K257-E259 WeakPolarHBondContact CD-OE2 3.46Å; K257-E259 PolarHBondContact O-N 3.45Å
258	G	97.1	Very high	95.9	Very high	37 Å²	37	50.1 Å²	50.1	38%	0.381	26%	0.255	S	S	.	.	S	Bend	trans	74.3	13.1	-174.1	0	0	0	0	0	113.5	N255 I256	N255-G258 PolarHBondContact O-N 2.93Å; N255-G258 PolarHBondContact OD1-N 3.42Å; I256-G258 VanDerWaalsContact C-N 3.28Å
259	E	97.8	Very high	96	Very high	35 Å²	35	57.1 Å²	57.1	16%	0.164	28%	0.277	C	S	.	.			trans	-92.6	132.4	-177.5	-56.9	170	134.6	0	0	109.8	H230 N255 K257 D263 L264 Q267	H230-E259 PolarHBondContact NE2-O 2.8Å; H230-E259 VanDerWaalsContact NE2-O 3.12Å; N255-E259 PolarHBondContact N-O 2.91Å; N255-E259 PolarHBondContact ND2-OE2 3.2Å; N255-E259 WeakPolarHBondContact OD1-CB 3.5Å; N255-E259 PolarHBondContact OD1-N 2.94Å; N255-E259 PolarHBondContact OD1-O 3.41Å; K257-E259 HydrophobicContact CB-CG 3.91Å; K257-E259 WeakPolarHBondContact CD-OE2 3.46Å; K257-E259 PolarHBondContact O-N 3.45Å; E259-D263 HydrophobicContact CB-CB 4.36Å; E259-L264 HydrophobicContact CB-CD2 4.24Å; E259-L264 HydrophobicContact CB-CG 4.43Å; E259-Q267 PolarHBondContact OE1-NE2 2.93Å
260	S	96.8	Very high	95.8	Very high	8 Å²	8	59.6 Å²	59.6	6%	0.056	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-85.5	166.7	168	71.4	0	0	0	0	111.9	V251 A253 L262 D263 L264	V251-S260 WeakPolarHBondContact O-CB 3.13Å; A253-S260 WeakPolarHBondContact O-CA 3.29Å; S260-L262 PolarHBondContact O-N 3.07Å; S260-L262 PolarHBondContact OG-N 3Å; S260-D263 WeakPolarHBondContact CB-OD2 3.38Å; S260-D263 PolarHBondContact N-OD2 3.02Å; S260-D263 PolarHBondContact O-N 2.89Å; S260-D263 PolarHBondContact OG-N 3.14Å; S260-D263 PolarHBondContact OG-OD2 2.89Å; S260-L264 PolarHBondContact O-N 3.43Å
261	A	96.8	Very high	95.8	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-56.7	-32.3	171.8	0	0	0	0	0	112.3	L229 H230 V233 A265	L229-A261 HydrophobicContact CB-CB 4.42Å; L229-A261 HydrophobicContact CD2-CB 3.85Å; L229-A261 HydrophobicContact CG-CB 3.69Å; H230-A261 PolarHBondContact NE2-N 3.2Å; V233-A261 HydrophobicContact CG2-CB 4.18Å; A261-A265 WeakPolarHBondContact O-CB 3.39Å; A261-A265 PolarHBondContact O-N 3.23Å
262	L	95.8	Very high	95.9	Very high	3 Å²	3	66 Å²	66	2%	0.016	32%	0.32	C	S	.	.	H	α-helix	trans	-69.6	-37.8	174.5	176.1	59.7	0	0	0	112.2	V251 S260 A265 K266 I274 L277 Q278	V251-L262 HydrophobicContact CG1-CB 4.14Å; S260-L262 PolarHBondContact O-N 3.07Å; S260-L262 PolarHBondContact OG-N 3Å; L262-A265 PolarHBondContact O-N 2.99Å; L262-K266 WeakPolarHBondContact O-CG 3.29Å; L262-K266 PolarHBondContact O-N 2.9Å; L262-I274 HydrophobicContact CD1-CG2 4.21Å; L262-L277 HydrophobicContact CB-CB 4.4Å; L262-L277 HydrophobicContact CB-CD1 4.43Å; L262-L277 HydrophobicContact CD1-CB 4Å; L262-Q278 HydrophobicContact CD1-CG 3.94Å; L262-Q278 HydrophobicContact CD2-CG 4Å
263	D	96.7	Very high	96.1	Very high	56 Å²	56	64.1 Å²	64.1	30%	0.299	31%	0.31	S	S	.	.	H	α-helix	trans	-66.8	-42.9	177.7	-59	-46	0	0	0	110.8	E259 S260 A265 K266 Q267	E259-D263 HydrophobicContact CB-CB 4.36Å; S260-D263 WeakPolarHBondContact CB-OD2 3.38Å; S260-D263 PolarHBondContact N-OD2 3.02Å; S260-D263 PolarHBondContact O-N 2.89Å; S260-D263 PolarHBondContact OG-N 3.14Å; S260-D263 PolarHBondContact OG-OD2 2.89Å; D263-A265 VanDerWaalsContact C-N 3.32Å; D263-A265 PolarHBondContact O-N 3.15Å; D263-K266 WeakPolarHBondContact O-CB 3.09Å; D263-K266 PolarHBondContact O-N 3.23Å; D263-K266 IonicContact OD1-NZ 3.85Å; D263-Q267 WeakPolarHBondContact O-CG 3.38Å; D263-Q267 PolarHBondContact O-N 3.48Å
264	L	97.1	Very high	96	Very high	8 Å²	8	64.6 Å²	64.6	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-59.1	-42.1	172.1	-64.4	-179.4	0	0	0	112	H230 V233 L234 E259 S260 K266 Q267 R268	H230-L264 HydrophobicContact CB-CD1 4.08Å; V233-L264 HydrophobicContact CG1-CB 3.84Å; L234-L264 HydrophobicContact CD1-CD1 4.41Å; L234-L264 HydrophobicContact CD2-CD1 4.13Å; L234-L264 HydrophobicContact CD2-CD2 4.46Å; L234-L264 HydrophobicContact CG-CD1 4.07Å; E259-L264 HydrophobicContact CB-CD2 4.24Å; E259-L264 HydrophobicContact CB-CG 4.43Å; S260-L264 PolarHBondContact O-N 3.43Å; L264-K266 VanDerWaalsContact C-N 3.33Å; L264-K266 PolarHBondContact O-N 3.47Å; L264-Q267 PolarHBondContact O-N 2.8Å; L264-R268 WeakPolarHBondContact O-CG 3.5Å; L264-R268 PolarHBondContact O-N 3.23Å; L264-R268 VanDerWaalsContact O-N 3.09Å
265	A	97	Very high	95.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-38.4	177	0	0	0	0	0	112.4	V233 A261 L262 D263 R268 K269 N270 M273 I274 L277	V233-A265 HydrophobicContact CG1-CB 3.95Å; A261-A265 WeakPolarHBondContact O-CB 3.39Å; A261-A265 PolarHBondContact O-N 3.23Å; L262-A265 PolarHBondContact O-N 2.99Å; D263-A265 VanDerWaalsContact C-N 3.32Å; D263-A265 PolarHBondContact O-N 3.15Å; A265-R268 PolarHBondContact O-N 3.29Å; A265-K269 PolarHBondContact O-N 3.41Å; A265-N270 PolarHBondContact O-N 2.95Å; A265-M273 HydrophobicContact CB-CB 3.85Å; A265-I274 HydrophobicContact CB-CG1 4.06Å; A265-L277 HydrophobicContact CB-CD1 3.73Å
266	K	96.4	Very high	95.5	Very high	97 Å²	97	63.6 Å²	63.6	42%	0.422	31%	0.307	S	S	.	.	H	α-helix	trans	-66.4	-44.2	174.9	-72.7	172.4	-176.1	165.7	0	112.3	L262 D263 L264 R268 K269 I274	L262-K266 WeakPolarHBondContact O-CG 3.29Å; L262-K266 PolarHBondContact O-N 2.9Å; D263-K266 WeakPolarHBondContact O-CB 3.09Å; D263-K266 PolarHBondContact O-N 3.23Å; D263-K266 IonicContact OD1-NZ 3.85Å; L264-K266 VanDerWaalsContact C-N 3.33Å; L264-K266 PolarHBondContact O-N 3.47Å; K266-R268 VanDerWaalsContact C-N 3.25Å; K266-R268 PolarHBondContact O-N 3.23Å; K266-K269 WeakPolarHBondContact O-CA 3.33Å; K266-K269 PolarHBondContact O-N 3.35Å; K266-I274 HydrophobicContact CG-CD1 4.15Å; K266-I274 HydrophobicContact CG-CG1 4.07Å
267	Q	95.3	Very high	95.3	Very high	117 Å²	117	58.2 Å²	58.2	55%	0.547	28%	0.28	S	S	.	.	H	α-helix	trans	-59.2	-39.6	176.9	-69.9	174.3	16.5	0	0	111.5	E259 D263 L264 K269	E259-Q267 PolarHBondContact OE1-NE2 2.93Å; D263-Q267 WeakPolarHBondContact O-CG 3.38Å; D263-Q267 PolarHBondContact O-N 3.48Å; L264-Q267 PolarHBondContact O-N 2.8Å; Q267-K269 PolarHBondContact O-N 2.89Å
268	R	95	Very high	95	Very high	128 Å²	128	54.1 Å²	54.1	48%	0.483	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-3.6	175.3	-63	-178.2	77.6	77.9	-2.4	114	L264 A265 K266 N270	L264-R268 WeakPolarHBondContact O-CG 3.5Å; L264-R268 PolarHBondContact O-N 3.23Å; L264-R268 VanDerWaalsContact O-N 3.09Å; A265-R268 PolarHBondContact O-N 3.29Å; K266-R268 VanDerWaalsContact C-N 3.25Å; K266-R268 PolarHBondContact O-N 3.23Å; R268-N270 PolarHBondContact O-N 3.28Å; R268-N270 VanDerWaalsContact O-N 3.12Å
269	K	93.2	Very high	94.5	Very high	179 Å²	179	57.7 Å²	57.7	78%	0.778	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	30.7	179.8	-57.1	179.1	-177.4	176.2	0	114.1	A265 K266 Q267 V271	A265-K269 PolarHBondContact O-N 3.41Å; K266-K269 WeakPolarHBondContact O-CA 3.33Å; K266-K269 PolarHBondContact O-N 3.35Å; Q267-K269 PolarHBondContact O-N 2.89Å; K269-V271 PolarHBondContact O-N 3.11Å
270	N	92.7	Very high	94	Very high	53 Å²	53	57.1 Å²	57.1	28%	0.283	27%	0.271	S	S	.	.			trans	-88	100.4	178.4	-173.1	-45.1	0	0	0	110.2	A265 R268 W272 M273 I274	A265-N270 PolarHBondContact O-N 2.95Å; R268-N270 PolarHBondContact O-N 3.28Å; R268-N270 VanDerWaalsContact O-N 3.12Å; N270-W272 VanDerWaalsContact C-N 3.26Å; N270-W272 PolarHBondContact O-N 3.44Å; N270-W272 WeakPolarHBondContact OD1-CB 3.4Å; N270-W272 PolarHBondContact OD1-N 3.09Å; N270-W272 VanDerWaalsContact OD1-N 3.14Å; N270-M273 HydrophobicContact CB-CB 4.24Å; N270-M273 HydrophobicContact CB-CE 3.38Å; N270-M273 HydrophobicContact CB-CG 4.22Å; N270-M273 PolarHBondContact O-N 3Å; N270-M273 PolarHBondContact OD1-N 2.77Å; N270-M273 VanDerWaalsContact OD1-N 3.12Å; N270-I274 WeakPolarHBondContact O-CD1 3.48Å; N270-I274 VanDerWaalsContact O-CG1 3.27Å; N270-I274 WeakPolarHBondContact O-CG1 3.49Å; N270-I274 PolarHBondContact O-N 3.2Å
271	V	94.2	Very high	93.5	Very high	95 Å²	95	60.6 Å²	60.6	58%	0.576	28%	0.283	S	S	*	.	H	α-helix	trans	-55.9	-39.8	-176.6	-179.7	0	0	0	0	112.4	K269 I274 N275	K269-V271 PolarHBondContact O-N 3.11Å; V271-I274 PolarHBondContact O-N 2.88Å; V271-N275 WeakPolarHBondContact O-CB 3.41Å; V271-N275 PolarHBondContact O-N 3.22Å; V271-N275 PolarHBondContact O-ND2 2.91Å
272	W	95.1	Very high	92.7	Very high	90 Å²	90	65.4 Å²	65.4	34%	0.341	31%	0.305	S	S	.	.	H	α-helix	trans	-63.3	-48.4	-179.5	-177.6	95.6	0	0	0	111.3	T238 I241 N270 N275 H276	T238-W272 HydrophobicContact CG2-CD2 3.98Å; T238-W272 HydrophobicContact CG2-CE3 3.39Å; T238-W272 HydrophobicContact CG2-CH2 4.16Å; T238-W272 HydrophobicContact CG2-CZ3 3.53Å; T238-W272 VanDerWaalsContact O-CH2 3.25Å; T238-W272 WeakPolarHBondContact O-CH2 3.31Å; I241-W272 HydrophobicContact CB-CZ3 4.4Å; I241-W272 HydrophobicContact CD1-CZ3 4.38Å; I241-W272 HydrophobicContact CG2-CZ3 4.31Å; N270-W272 VanDerWaalsContact C-N 3.26Å; N270-W272 PolarHBondContact O-N 3.44Å; N270-W272 WeakPolarHBondContact OD1-CB 3.4Å; N270-W272 PolarHBondContact OD1-N 3.09Å; N270-W272 VanDerWaalsContact OD1-N 3.14Å; W272-N275 PolarHBondContact O-N 3.11Å; W272-H276 AromaticContact CD1-CE1 3.64Å; W272-H276 AromaticContact CD1-ND1 3.89Å; W272-H276 AromaticContact CD2-CE1 3.96Å; W272-H276 AromaticContact CD2-ND1 3.68Å; W272-H276 AromaticContact CE2-CD2 3.96Å; W272-H276 AromaticContact CE2-CE1 3.28Å; W272-H276 AromaticContact CE2-CG 3.87Å; W272-H276 AromaticContact CE2-ND1 3.42Å; W272-H276 AromaticContact CE2-NE2 3.59Å; W272-H276 AromaticContact CG-ND1 3.96Å; W272-H276 HydrophobicContact CH2-CB 4.4Å; W272-H276 AromaticContact CH2-CD2 3.93Å; W272-H276 AromaticContact CH2-CG 3.95Å; W272-H276 AromaticContact CZ2-CD2 3.53Å; W272-H276 AromaticContact CZ2-CE1 3.64Å; W272-H276 AromaticContact CZ2-CG 3.75Å; W272-H276 AromaticContact CZ2-ND1 3.79Å; W272-H276 AromaticContact CZ2-NE2 3.44Å; W272-H276 WeakPolarHBondContact CZ2-NE2 3.35Å; W272-H276 HydrophobicContact CZ3-CB 4.42Å; W272-H276 AromaticContact NE1-CE1 3.08Å; W272-H276 PolarHBondContact NE1-CE1 2.89Å; W272-H276 AromaticContact NE1-ND1 3.59Å; W272-H276 AromaticContact NE1-NE2 3.63Å; W272-H276 PolarHBondContact O-N 2.87Å; W272-H276 PolarHBondContact O-ND1 3.03Å
273	M	96.1	Very high	91.7	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-63.9	-43.2	179.6	-67	-164.8	-67.4	0	0	111.1	V233 I241 A265 N270 N275 H276 L277	V233-M273 HydrophobicContact CB-SD 4.33Å; V233-M273 HydrophobicContact CG1-CE 4.05Å; V233-M273 HydrophobicContact CG1-SD 4.1Å; V233-M273 HydrophobicContact CG2-SD 4.28Å; I241-M273 HydrophobicContact CD1-CG 3.77Å; I241-M273 HydrophobicContact CD1-SD 3.41Å; I241-M273 WeakPolarHBondContact CD1-SD 3.37Å; A265-M273 HydrophobicContact CB-CB 3.85Å; N270-M273 HydrophobicContact CB-CB 4.24Å; N270-M273 HydrophobicContact CB-CE 3.38Å; N270-M273 HydrophobicContact CB-CG 4.22Å; N270-M273 PolarHBondContact O-N 3Å; N270-M273 PolarHBondContact OD1-N 2.77Å; N270-M273 VanDerWaalsContact OD1-N 3.12Å; M273-N275 PolarHBondContact O-N 3.47Å; M273-H276 PolarHBondContact O-N 3.29Å; M273-L277 VanDerWaalsContact O-CB 3.29Å; M273-L277 WeakPolarHBondContact O-CB 3.38Å; M273-L277 WeakPolarHBondContact O-CD1 3.03Å; M273-L277 WeakPolarHBondContact O-CG 3.49Å; M273-L277 PolarHBondContact O-N 3.11Å
274	I	94.8	Very high	90.6	Very high	29 Å²	29	71.1 Å²	71.1	15%	0.149	34%	0.343	C	S	.	.	H	α-helix	trans	-58.1	-51.3	178.1	-65.7	163.7	0	0	0	110.3	L262 A265 K266 N270 V271 L277 Q278	L262-I274 HydrophobicContact CD1-CG2 4.21Å; A265-I274 HydrophobicContact CB-CG1 4.06Å; K266-I274 HydrophobicContact CG-CD1 4.15Å; K266-I274 HydrophobicContact CG-CG1 4.07Å; N270-I274 WeakPolarHBondContact O-CD1 3.48Å; N270-I274 VanDerWaalsContact O-CG1 3.27Å; N270-I274 WeakPolarHBondContact O-CG1 3.49Å; N270-I274 PolarHBondContact O-N 3.2Å; V271-I274 PolarHBondContact O-N 2.88Å; I274-L277 PolarHBondContact O-N 2.8Å; I274-Q278 HydrophobicContact CG2-CG 4.47Å; I274-Q278 WeakPolarHBondContact O-CB 3.31Å; I274-Q278 VanDerWaalsContact O-CG 3.25Å; I274-Q278 WeakPolarHBondContact O-CG 3.43Å; I274-Q278 PolarHBondContact O-N 3.12Å
275	N	91.7	Very high	89.1	Confident	71 Å²	71	73.3 Å²	73.3	38%	0.38	37%	0.368	S	S	.	.	H	α-helix	trans	-62.5	-47.2	-178.1	-69	-11.6	0	0	0	111.5	V271 W272 M273 L277 Q278 E279	V271-N275 WeakPolarHBondContact O-CB 3.41Å; V271-N275 PolarHBondContact O-N 3.22Å; V271-N275 PolarHBondContact O-ND2 2.91Å; W272-N275 PolarHBondContact O-N 3.11Å; M273-N275 PolarHBondContact O-N 3.47Å; N275-L277 PolarHBondContact O-N 3.42Å; N275-Q278 PolarHBondContact O-N 2.87Å; N275-E279 WeakPolarHBondContact O-CB 3.26Å; N275-E279 VanDerWaalsContact O-CG 3.27Å; N275-E279 WeakPolarHBondContact O-CG 3.47Å; N275-E279 PolarHBondContact O-N 3.43Å
276	H	91.7	Very high	87.5	Confident	58 Å²	58	79.7 Å²	79.7	27%	0.269	39%	0.393	S	S	.	.	H	α-helix	trans	-65.7	-39.5	-178.7	-79.1	67.6	0	0	0	112.8	W272 M273 E279 A280	W272-H276 AromaticContact CD1-CE1 3.64Å; W272-H276 AromaticContact CD1-ND1 3.89Å; W272-H276 AromaticContact CD2-CE1 3.96Å; W272-H276 AromaticContact CD2-ND1 3.68Å; W272-H276 AromaticContact CE2-CD2 3.96Å; W272-H276 AromaticContact CE2-CE1 3.28Å; W272-H276 AromaticContact CE2-CG 3.87Å; W272-H276 AromaticContact CE2-ND1 3.42Å; W272-H276 AromaticContact CE2-NE2 3.59Å; W272-H276 AromaticContact CG-ND1 3.96Å; W272-H276 HydrophobicContact CH2-CB 4.4Å; W272-H276 AromaticContact CH2-CD2 3.93Å; W272-H276 AromaticContact CH2-CG 3.95Å; W272-H276 AromaticContact CZ2-CD2 3.53Å; W272-H276 AromaticContact CZ2-CE1 3.64Å; W272-H276 AromaticContact CZ2-CG 3.75Å; W272-H276 AromaticContact CZ2-ND1 3.79Å; W272-H276 AromaticContact CZ2-NE2 3.44Å; W272-H276 WeakPolarHBondContact CZ2-NE2 3.35Å; W272-H276 HydrophobicContact CZ3-CB 4.42Å; W272-H276 AromaticContact NE1-CE1 3.08Å; W272-H276 PolarHBondContact NE1-CE1 2.89Å; W272-H276 AromaticContact NE1-ND1 3.59Å; W272-H276 AromaticContact NE1-NE2 3.63Å; W272-H276 PolarHBondContact O-N 2.87Å; W272-H276 PolarHBondContact O-ND1 3.03Å; M273-H276 PolarHBondContact O-N 3.29Å; H276-E279 PolarHBondContact O-N 3.1Å; H276-A280 WeakPolarHBondContact O-CB 3.38Å; H276-A280 PolarHBondContact O-N 3.17Å
277	L	93.9	Very high	85.8	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-67.8	-40.1	176.4	-69.6	169.1	0	0	0	111.4	L229 V233 I241 L245 V251 L262 A265 M273 I274 N275 A280 R281	L229-L277 HydrophobicContact CD1-CD2 4.1Å; L229-L277 HydrophobicContact CD2-CD2 4.02Å; L229-L277 HydrophobicContact CG-CD2 4.34Å; V233-L277 HydrophobicContact CG2-CD1 3.97Å; I241-L277 HydrophobicContact CG2-CD2 4.3Å; L245-L277 HydrophobicContact CD1-CD2 4.21Å; L245-L277 HydrophobicContact CD2-CD2 4.08Å; V251-L277 HydrophobicContact CG1-CB 4.09Å; V251-L277 HydrophobicContact CG1-CD2 4.2Å; V251-L277 HydrophobicContact CG2-CD2 4.25Å; L262-L277 HydrophobicContact CB-CB 4.4Å; L262-L277 HydrophobicContact CB-CD1 4.43Å; L262-L277 HydrophobicContact CD1-CB 4Å; A265-L277 HydrophobicContact CB-CD1 3.73Å; M273-L277 VanDerWaalsContact O-CB 3.29Å; M273-L277 WeakPolarHBondContact O-CB 3.38Å; M273-L277 WeakPolarHBondContact O-CD1 3.03Å; M273-L277 WeakPolarHBondContact O-CG 3.49Å; M273-L277 PolarHBondContact O-N 3.11Å; I274-L277 PolarHBondContact O-N 2.8Å; N275-L277 PolarHBondContact O-N 3.42Å; L277-A280 PolarHBondContact O-N 2.85Å; L277-R281 WeakPolarHBondContact O-CB 3.32Å; L277-R281 PolarHBondContact O-N 3.23Å
278	Q	90.7	Very high	84.3	Confident	72 Å²	72	79.8 Å²	79.8	34%	0.336	40%	0.401	S	S	.	.	H	α-helix	trans	-64	-43.9	174.4	-75.6	177.1	-34.3	0	0	112	L262 I274 N275 A280 R281 Q282	L262-Q278 HydrophobicContact CD1-CG 3.94Å; L262-Q278 HydrophobicContact CD2-CG 4Å; I274-Q278 HydrophobicContact CG2-CG 4.47Å; I274-Q278 WeakPolarHBondContact O-CB 3.31Å; I274-Q278 VanDerWaalsContact O-CG 3.25Å; I274-Q278 WeakPolarHBondContact O-CG 3.43Å; I274-Q278 PolarHBondContact O-N 3.12Å; N275-Q278 PolarHBondContact O-N 2.87Å; Q278-A280 PolarHBondContact O-N 3.09Å; Q278-R281 PolarHBondContact O-N 2.86Å; Q278-Q282 WeakPolarHBondContact O-CB 3.29Å; Q278-Q282 VanDerWaalsContact O-CG 3.3Å; Q278-Q282 WeakPolarHBondContact O-CG 3.18Å; Q278-Q282 PolarHBondContact O-N 2.78Å
279	E	85.6	Confident	83	Confident	111 Å²	111	75.5 Å²	75.5	52%	0.519	39%	0.39	S	S	.	.	H	α-helix	trans	-59.7	-45	175.5	-75.8	172.2	-169.4	0	0	111.5	N275 H276 R281 Q282 A283	N275-E279 WeakPolarHBondContact O-CB 3.26Å; N275-E279 VanDerWaalsContact O-CG 3.27Å; N275-E279 WeakPolarHBondContact O-CG 3.47Å; N275-E279 PolarHBondContact O-N 3.43Å; H276-E279 PolarHBondContact O-N 3.1Å; E279-R281 PolarHBondContact O-N 3.05Å; E279-Q282 PolarHBondContact O-N 3.07Å; E279-A283 WeakPolarHBondContact O-CB 3.17Å; E279-A283 PolarHBondContact O-N 2.79Å
280	A	87.3	Confident	82.2	Confident	23 Å²	23	70.2 Å²	70.2	19%	0.19	38%	0.376	C	S	.	.	H	α-helix	trans	-66.4	-37	177.5	0	0	0	0	0	113	L245 V251 H276 L277 Q278 A283 K284	L245-A280 HydrophobicContact CB-CB 4.28Å; L245-A280 HydrophobicContact CD1-CB 3.84Å; L245-A280 HydrophobicContact CD2-CB 3.72Å; L245-A280 HydrophobicContact CG-CB 4.14Å; V251-A280 HydrophobicContact CG2-CB 4.26Å; H276-A280 WeakPolarHBondContact O-CB 3.38Å; H276-A280 PolarHBondContact O-N 3.17Å; L277-A280 PolarHBondContact O-N 2.85Å; Q278-A280 PolarHBondContact O-N 3.09Å; A280-A283 PolarHBondContact O-N 3.33Å; A280-K284 PolarHBondContact O-N 3.36Å
281	R	86.2	Confident	81.6	Confident	82 Å²	82	75.3 Å²	75.3	31%	0.309	40%	0.396	S	S	.	.	H	α-helix	trans	-64.7	-43.7	173.6	-171.7	-179.9	-177.5	-156.2	-1.8	111.7	V251 D252 L277 Q278 E279 A283 K284 Y286	V251-R281 HydrophobicContact CB-CB 4.49Å; V251-R281 HydrophobicContact CG1-CB 4.36Å; D252-R281 WeakPolarHBondContact OD1-CD 3.31Å; D252-R281 IonicContact OD1-CZ 3.94Å; D252-R281 VanDerWaalsContact OD1-CZ 3.31Å; D252-R281 IonicContact OD1-NE 2.66Å; D252-R281 PolarHBondContact OD1-NE 2.97Å; D252-R281 IonicContact OD1-NH2 3.63Å; D252-R281 IonicContact OD2-CZ 3.64Å; D252-R281 IonicContact OD2-NE 2.9Å; D252-R281 PolarHBondContact OD2-NE 3.07Å; D252-R281 IonicContact OD2-NH2 2.84Å; L277-R281 WeakPolarHBondContact O-CB 3.32Å; L277-R281 PolarHBondContact O-N 3.23Å; Q278-R281 PolarHBondContact O-N 2.86Å; E279-R281 PolarHBondContact O-N 3.05Å; R281-A283 PolarHBondContact O-N 2.86Å; R281-K284 PolarHBondContact O-N 3.33Å; R281-Y286 HydrophobicContact CG-CD2 4.06Å
282	Q	79.7	Confident	80.7	Confident	100 Å²	100	76 Å²	76	47%	0.467	40%	0.396	S	S	.	.	H	α-helix	trans	-61.5	-42.2	175.4	-77.2	171.5	11.5	0	0	112.1	Q278 E279 K284 G285 D287	Q278-Q282 WeakPolarHBondContact O-CB 3.29Å; Q278-Q282 VanDerWaalsContact O-CG 3.3Å; Q278-Q282 WeakPolarHBondContact O-CG 3.18Å; Q278-Q282 PolarHBondContact O-N 2.78Å; E279-Q282 PolarHBondContact O-N 3.07Å; Q282-K284 PolarHBondContact O-N 2.91Å; Q282-G285 PolarHBondContact O-N 3.39Å; Q282-D287 HydrophobicContact CG-CB 4.35Å; Q282-D287 WeakPolarHBondContact CG-OD2 3.42Å
283	A	75.1	Confident	79.7	Confident	84 Å²	84	79.8 Å²	79.8	69%	0.694	41%	0.41	S	S	*	.	H	α-helix	trans	-61.2	-26.6	179.5	0	0	0	0	0	113.3	E279 A280 R281 G285	E279-A283 WeakPolarHBondContact O-CB 3.17Å; E279-A283 PolarHBondContact O-N 2.79Å; A280-A283 PolarHBondContact O-N 3.33Å; R281-A283 PolarHBondContact O-N 2.86Å; A283-G285 VanDerWaalsContact C-N 3.34Å
284	K	73.6	Confident	78.8	Confident	96 Å²	96	85 Å²	85	42%	0.417	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-4.1	175.4	-72.7	-177.1	172.7	-179.8	0	114.1	G248 A249 A280 R281 Q282 Y286	G248-K284 PolarHBondContact O-NZ 3.07Å; A249-K284 PolarHBondContact O-NZ 2.9Å; A280-K284 PolarHBondContact O-N 3.36Å; R281-K284 PolarHBondContact O-N 3.33Å; Q282-K284 PolarHBondContact O-N 2.91Å; K284-Y286 HydrophobicContact CB-CD2 3.73Å; K284-Y286 HydrophobicContact CB-CE2 3.55Å; K284-Y286 HydrophobicContact CD-CE2 3.96Å; K284-Y286 HydrophobicContact CG-CE2 4.4Å
285	G	65.9	Low	78.1	Confident	54 Å²	54	85.6 Å²	85.6	56%	0.557	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	18	174.6	0	0	0	0	0	115.5	Q282 A283 D287	Q282-G285 PolarHBondContact O-N 3.39Å; A283-G285 VanDerWaalsContact C-N 3.34Å; G285-D287 VanDerWaalsContact C-N 3.32Å
286	Y	62.6	Low	77.5	Confident	134 Å²	134	85.8 Å²	85.8	53%	0.525	43%	0.433	S	S	.	.			trans	-72	-26.1	176.3	-67.3	-67.1	0	0	0	113.3	R281 K284	R281-Y286 HydrophobicContact CG-CD2 4.06Å; K284-Y286 HydrophobicContact CB-CD2 3.73Å; K284-Y286 HydrophobicContact CB-CE2 3.55Å; K284-Y286 HydrophobicContact CD-CE2 3.96Å; K284-Y286 HydrophobicContact CG-CE2 4.4Å
287	D	62	Low	76.7	Confident	64 Å²	64	86.2 Å²	86.2	34%	0.342	45%	0.447	S	S	.	.	S	Bend	trans	-89.3	156.4	171.1	-68.5	-26	0	0	0	110	Q282 G285 P289	Q282-D287 HydrophobicContact CG-CB 4.35Å; Q282-D287 WeakPolarHBondContact CG-OD2 3.42Å; G285-D287 VanDerWaalsContact C-N 3.32Å; D287-P289 WeakPolarHBondContact O-CD 3.31Å
288	N	64.2	Low	76.1	Confident	151 Å²	151	89.8 Å²	89.8	81%	0.807	47%	0.466	S	S	*	.			trans	-99	76.9	173.5	-145.1	2.5	0	0	0	109.4
289	P	67.6	Low	75.7	Confident	39 Å²	39	94 Å²	94	25%	0.253	48%	0.483	S	S	.	.			trans	-65.9	149.7	-177.9	23.6	-32.1	0	0	0	111.1	D287 R293 K294	D287-P289 WeakPolarHBondContact O-CD 3.31Å; P289-R293 HydrophobicContact CB-CB 3.66Å; P289-K294 HydrophobicContact CB-CG 4.3Å; P289-K294 HydrophobicContact CG-CD 4.49Å; P289-K294 HydrophobicContact CG-CG 3.62Å
290	S	75.9	Confident	75.6	Confident	67 Å²	67	94 Å²	94	47%	0.469	48%	0.483	S	S	.	.			trans	-55.1	154.8	168.8	63.7	0	0	0	0	111.1	L292 R293 K294	S290-L292 VanDerWaalsContact C-N 3.29Å; S290-L292 PolarHBondContact O-N 3.42Å; S290-R293 WeakPolarHBondContact O-CA 3.35Å; S290-R293 WeakPolarHBondContact O-CB 3.29Å; S290-R293 PolarHBondContact O-N 2.65Å; S290-R293 WeakPolarHBondContact OG-CG 3.32Å; S290-K294 PolarHBondContact O-N 2.86Å
291	F	79.5	Confident	75.7	Confident	160 Å²	160	96 Å²	96	70%	0.702	49%	0.487	S	S	*	.	H	α-helix	trans	-50.5	-45.6	-177.6	177.8	-101.2	0	0	0	113.2	R293 K294 L295	F291-R293 VanDerWaalsContact C-N 3.32Å; F291-R293 PolarHBondContact O-N 2.89Å; F291-K294 WeakPolarHBondContact O-CB 3.5Å; F291-K294 PolarHBondContact O-N 2.71Å; F291-L295 PolarHBondContact O-N 3.09Å
292	L	75.7	Confident	75.8	Confident	111 Å²	111	94 Å²	94	58%	0.581	48%	0.48	S	S	*	.	H	α-helix	trans	-62.6	-36.4	176.3	-73.9	172	0	0	0	112.9	S290 L295 K296	S290-L292 VanDerWaalsContact C-N 3.29Å; S290-L292 PolarHBondContact O-N 3.42Å; L292-L295 PolarHBondContact O-N 2.93Å; L292-K296 WeakPolarHBondContact O-CB 3.07Å; L292-K296 VanDerWaalsContact O-CG 3.28Å; L292-K296 WeakPolarHBondContact O-CG 3.34Å; L292-K296 PolarHBondContact O-N 3.38Å
293	R	74.6	Confident	76.2	Confident	169 Å²	169	94 Å²	94	64%	0.638	48%	0.48	S	S	*	.	H	α-helix	trans	-69.6	-38.7	176.1	-76.9	-176.4	-175	177.6	2.5	111.5	P289 S290 F291 L295 K296 A297	P289-R293 HydrophobicContact CB-CB 3.66Å; S290-R293 WeakPolarHBondContact O-CA 3.35Å; S290-R293 WeakPolarHBondContact O-CB 3.29Å; S290-R293 PolarHBondContact O-N 2.65Å; S290-R293 WeakPolarHBondContact OG-CG 3.32Å; F291-R293 VanDerWaalsContact C-N 3.32Å; F291-R293 PolarHBondContact O-N 2.89Å; R293-L295 VanDerWaalsContact C-N 3.32Å; R293-L295 PolarHBondContact O-N 3.39Å; R293-K296 PolarHBondContact O-N 3.4Å; R293-A297 WeakPolarHBondContact O-CB 3.38Å; R293-A297 PolarHBondContact O-N 2.89Å
294	K	76.7	Confident	76.9	Confident	110 Å²	110	96 Å²	96	48%	0.478	47%	0.473	S	S	.	.	H	α-helix	trans	-56.4	-49.1	171.3	-74	-173.2	177.4	178.3	0	110.9	P289 S290 F291 K296 A297 D298	P289-K294 HydrophobicContact CB-CG 4.3Å; P289-K294 HydrophobicContact CG-CD 4.49Å; P289-K294 HydrophobicContact CG-CG 3.62Å; S290-K294 PolarHBondContact O-N 2.86Å; F291-K294 WeakPolarHBondContact O-CB 3.5Å; F291-K294 PolarHBondContact O-N 2.71Å; K294-K296 VanDerWaalsContact C-N 3.33Å; K294-K296 PolarHBondContact O-N 3.41Å; K294-A297 PolarHBondContact O-N 3.11Å; K294-A297 VanDerWaalsContact O-N 3.14Å; K294-D298 PolarHBondContact O-N 2.87Å; K294-D298 VanDerWaalsContact O-N 3.08Å
295	L	81.1	Confident	77.7	Confident	42 Å²	42	92.6 Å²	92.6	22%	0.22	46%	0.46	C	S	.	.	H	α-helix	trans	-63.2	-37.8	-179.8	-162.3	69.7	0	0	0	112.8	F291 L292 R293 F301 F349	F291-L295 PolarHBondContact O-N 3.09Å; L292-L295 PolarHBondContact O-N 2.93Å; R293-L295 VanDerWaalsContact C-N 3.32Å; R293-L295 PolarHBondContact O-N 3.39Å; L295-F301 HydrophobicContact CD1-CB 4.36Å; L295-F301 HydrophobicContact CD1-CD1 3.5Å; L295-F301 VanDerWaalsContact CD1-CD1 3.5Å; L295-F301 HydrophobicContact CD1-CD2 3.57Å; L295-F301 HydrophobicContact CD1-CE1 3.55Å; L295-F301 HydrophobicContact CD1-CE2 3.62Å; L295-F301 HydrophobicContact CD1-CG 3.5Å; L295-F301 VanDerWaalsContact CD1-CG 3.5Å; L295-F301 HydrophobicContact CD1-CZ 3.61Å; L295-F301 HydrophobicContact CD2-CD1 4.16Å; L295-F301 HydrophobicContact CD2-CE1 3.45Å; L295-F301 VanDerWaalsContact CD2-CE1 3.45Å; L295-F301 HydrophobicContact CD2-CE2 4.4Å; L295-F301 HydrophobicContact CD2-CZ 3.6Å; L295-F301 HydrophobicContact CG-CD1 3.39Å; L295-F301 HydrophobicContact CG-CD2 4.36Å; L295-F301 HydrophobicContact CG-CE1 3.23Å; L295-F301 HydrophobicContact CG-CE2 4.24Å; L295-F301 HydrophobicContact CG-CG 3.97Å; L295-F301 HydrophobicContact CG-CZ 3.69Å; L295-F301 WeakPolarHBondContact O-CD1 3.32Å; L295-F349 HydrophobicContact CD2-CE1 4.4Å; L295-F349 HydrophobicContact CD2-CZ 4.45Å; L295-F349 HydrophobicContact CG-CE1 4.37Å
296	K	78.2	Confident	78.9	Confident	74 Å²	74	90.3 Å²	90.3	32%	0.322	44%	0.435	S	S	.	.	H	α-helix	trans	-73.4	-24.7	174.6	-73.8	-176.1	-178.4	-157.6	0	113.9	L292 R293 K294 R302 S348 F349	L292-K296 WeakPolarHBondContact O-CB 3.07Å; L292-K296 VanDerWaalsContact O-CG 3.28Å; L292-K296 WeakPolarHBondContact O-CG 3.34Å; L292-K296 PolarHBondContact O-N 3.38Å; R293-K296 PolarHBondContact O-N 3.4Å; K294-K296 VanDerWaalsContact C-N 3.33Å; K294-K296 PolarHBondContact O-N 3.41Å; K296-R302 WeakPolarHBondContact O-CD 3.35Å; K296-S348 WeakPolarHBondContact CG-O 3.29Å; K296-S348 PolarHBondContact NZ-OG 3.24Å; K296-F349 HydrophobicContact CG-CD1 4.21Å; K296-F349 HydrophobicContact CG-CE1 3.78Å; K296-F349 HydrophobicContact CG-CZ 4.24Å
297	A	74	Confident	80.3	Confident	67 Å²	67	86.6 Å²	86.6	55%	0.554	42%	0.424	S	S	*	.	H	α-helix	trans	-83.7	-25.8	178.2	0	0	0	0	0	112.3	R293 K294 K299	R293-A297 WeakPolarHBondContact O-CB 3.38Å; R293-A297 PolarHBondContact O-N 2.89Å; K294-A297 PolarHBondContact O-N 3.11Å; K294-A297 VanDerWaalsContact O-N 3.14Å; A297-K299 PolarHBondContact O-N 3.48Å; A297-K299 VanDerWaalsContact O-N 3.17Å
298	D	81.8	Confident	81.8	Confident	75 Å²	75	85 Å²	85	40%	0.401	42%	0.424	S	S	.	.			trans	-68.1	109.2	178.4	-177.5	-16.3	0	0	0	111.7	K294 E300 F301 R302	K294-D298 PolarHBondContact O-N 2.87Å; K294-D298 VanDerWaalsContact O-N 3.08Å; D298-E300 VanDerWaalsContact C-N 3.33Å; D298-E300 PolarHBondContact O-N 2.8Å; D298-E300 WeakPolarHBondContact OD1-CA 3.37Å; D298-E300 WeakPolarHBondContact OD1-CB 3.49Å; D298-E300 PolarHBondContact OD1-N 3.27Å; D298-F301 HydrophobicContact CB-CB 3.85Å; D298-F301 PolarHBondContact O-N 2.91Å; D298-F301 PolarHBondContact OD1-N 3.39Å; D298-R302 WeakPolarHBondContact O-CG 3.41Å; D298-R302 PolarHBondContact O-N 2.86Å
299	K	81.8	Confident	83.2	Confident	161 Å²	161	78.6 Å²	78.6	70%	0.7	39%	0.389	S	S	*	.	H	α-helix	trans	-61.1	-38.9	179.3	-66.7	-176	-179.9	-179.6	0	112.6	A297 Q303	A297-K299 PolarHBondContact O-N 3.48Å; A297-K299 VanDerWaalsContact O-N 3.17Å; K299-Q303 WeakPolarHBondContact O-CB 3.25Å; K299-Q303 PolarHBondContact O-N 2.78Å
300	E	85.2	Confident	84.5	Confident	112 Å²	112	77.1 Å²	77.1	52%	0.523	38%	0.38	S	S	.	.	H	α-helix	trans	-70.1	-43.6	-179	-169.9	-170.9	153.7	0	0	110.5	D298 Q303 K304	D298-E300 VanDerWaalsContact C-N 3.33Å; D298-E300 PolarHBondContact O-N 2.8Å; D298-E300 WeakPolarHBondContact OD1-CA 3.37Å; D298-E300 WeakPolarHBondContact OD1-CB 3.49Å; D298-E300 PolarHBondContact OD1-N 3.27Å; E300-Q303 WeakPolarHBondContact O-CB 3.49Å; E300-Q303 PolarHBondContact O-N 2.97Å; E300-K304 WeakPolarHBondContact O-CG 3.22Å; E300-K304 PolarHBondContact O-N 3.45Å; E300-K304 WeakPolarHBondContact OE1-CE 3.34Å; E300-K304 IonicContact OE1-NZ 3.48Å; E300-K304 PolarHBondContact OE1-NZ 2.68Å
301	F	88	Confident	85.5	Confident	63 Å²	63	76.5 Å²	76.5	28%	0.276	37%	0.369	S	S	.	.	H	α-helix	trans	-60.9	-46.7	175.5	-176.8	-94.8	0	0	0	111.6	L295 D298 Q303 K304 V305 F349	L295-F301 HydrophobicContact CD1-CB 4.36Å; L295-F301 HydrophobicContact CD1-CD1 3.5Å; L295-F301 VanDerWaalsContact CD1-CD1 3.5Å; L295-F301 HydrophobicContact CD1-CD2 3.57Å; L295-F301 HydrophobicContact CD1-CE1 3.55Å; L295-F301 HydrophobicContact CD1-CE2 3.62Å; L295-F301 HydrophobicContact CD1-CG 3.5Å; L295-F301 VanDerWaalsContact CD1-CG 3.5Å; L295-F301 HydrophobicContact CD1-CZ 3.61Å; L295-F301 HydrophobicContact CD2-CD1 4.16Å; L295-F301 HydrophobicContact CD2-CE1 3.45Å; L295-F301 VanDerWaalsContact CD2-CE1 3.45Å; L295-F301 HydrophobicContact CD2-CE2 4.4Å; L295-F301 HydrophobicContact CD2-CZ 3.6Å; L295-F301 HydrophobicContact CG-CD1 3.39Å; L295-F301 HydrophobicContact CG-CD2 4.36Å; L295-F301 HydrophobicContact CG-CE1 3.23Å; L295-F301 HydrophobicContact CG-CE2 4.24Å; L295-F301 HydrophobicContact CG-CG 3.97Å; L295-F301 HydrophobicContact CG-CZ 3.69Å; L295-F301 WeakPolarHBondContact O-CD1 3.32Å; D298-F301 HydrophobicContact CB-CB 3.85Å; D298-F301 PolarHBondContact O-N 2.91Å; D298-F301 PolarHBondContact OD1-N 3.39Å; F301-Q303 VanDerWaalsContact C-N 3.29Å; F301-Q303 PolarHBondContact O-N 3.23Å; F301-K304 WeakPolarHBondContact O-CB 3.4Å; F301-K304 PolarHBondContact O-N 2.9Å; F301-K304 VanDerWaalsContact O-N 3.16Å; F301-V305 HydrophobicContact CD1-CG2 3.91Å; F301-V305 HydrophobicContact CE1-CG2 3.33Å; F301-V305 HydrophobicContact CE2-CG2 4.31Å; F301-V305 HydrophobicContact CZ-CG2 3.57Å; F301-V305 WeakPolarHBondContact O-CG2 3.33Å; F301-V305 PolarHBondContact O-N 2.65Å; F301-F349 HydrophobicContact CD1-CD1 4.32Å; F301-F349 HydrophobicContact CD1-CE1 4.12Å; F301-F349 HydrophobicContact CE1-CD1 4.17Å; F301-F349 AromaticContact CE1-CE1 3.71Å; F301-F349 HydrophobicContact CE1-CE1 3.71Å; F301-F349 HydrophobicContact CE1-CZ 4.32Å
302	R	88.1	Confident	86.3	Confident	41 Å²	41	74.1 Å²	74.1	16%	0.155	36%	0.363	C	S	.	.	H	α-helix	trans	-57.9	-42.8	175.8	-66.9	168.4	83	179.5	3.9	111.8	K296 D298 K304 V305 M306 F349 D351 M354	K296-R302 WeakPolarHBondContact O-CD 3.35Å; D298-R302 WeakPolarHBondContact O-CG 3.41Å; D298-R302 PolarHBondContact O-N 2.86Å; R302-K304 VanDerWaalsContact C-N 3.35Å; R302-K304 PolarHBondContact O-N 3.39Å; R302-V305 PolarHBondContact O-N 2.98Å; R302-M306 WeakPolarHBondContact O-CB 3.47Å; R302-M306 WeakPolarHBondContact O-CG 3.21Å; R302-M306 PolarHBondContact O-N 3.27Å; R302-F349 HydrophobicContact CG-CD1 4.25Å; R302-F349 PolarHBondContact NE-O 2.89Å; R302-D351 IonicContact CZ-OD2 2.88Å; R302-D351 IonicContact NH1-OD2 2.71Å; R302-D351 PolarHBondContact NH1-OD2 2.9Å; R302-D351 IonicContact NH2-OD2 3.45Å; R302-D351 PolarHBondContact NH2-OD2 3.41Å; R302-M354 HydrophobicContact CB-CE 3.5Å
303	Q	87.8	Confident	87.3	Confident	99 Å²	99	70.7 Å²	70.7	46%	0.463	35%	0.347	S	S	.	.	H	α-helix	trans	-60.7	-43.6	176.9	-172.8	178.7	5.8	0	0	111.5	K299 E300 F301 M306 L307 M354 A357	K299-Q303 WeakPolarHBondContact O-CB 3.25Å; K299-Q303 PolarHBondContact O-N 2.78Å; E300-Q303 WeakPolarHBondContact O-CB 3.49Å; E300-Q303 PolarHBondContact O-N 2.97Å; F301-Q303 VanDerWaalsContact C-N 3.29Å; F301-Q303 PolarHBondContact O-N 3.23Å; Q303-M306 PolarHBondContact O-N 3.44Å; Q303-L307 VanDerWaalsContact O-CB 3.3Å; Q303-L307 WeakPolarHBondContact O-CB 3.5Å; Q303-L307 PolarHBondContact O-N 2.99Å; Q303-M354 HydrophobicContact CB-SD 3.99Å; Q303-A357 HydrophobicContact CG-CB 4.13Å
304	K	90.3	Very high	88.3	Confident	126 Å²	126	63.3 Å²	63.3	55%	0.548	32%	0.32	S	S	.	.	H	α-helix	trans	-61.9	-43.9	175.3	-71.5	172.4	-176	165.4	0	111.9	E300 F301 R302 L307 G308	E300-K304 WeakPolarHBondContact O-CG 3.22Å; E300-K304 PolarHBondContact O-N 3.45Å; E300-K304 WeakPolarHBondContact OE1-CE 3.34Å; E300-K304 IonicContact OE1-NZ 3.48Å; E300-K304 PolarHBondContact OE1-NZ 2.68Å; F301-K304 WeakPolarHBondContact O-CB 3.4Å; F301-K304 PolarHBondContact O-N 2.9Å; F301-K304 VanDerWaalsContact O-N 3.16Å; R302-K304 VanDerWaalsContact C-N 3.35Å; R302-K304 PolarHBondContact O-N 3.39Å; K304-L307 PolarHBondContact O-N 3.26Å; K304-G308 PolarHBondContact O-N 3.36Å
305	V	91.2	Very high	89.3	Confident	25 Å²	25	62.4 Å²	62.4	15%	0.152	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-46.5	176.3	173.2	0	0	0	0	111	F301 R302 L307 G308 T309 L345 F349	F301-V305 HydrophobicContact CD1-CG2 3.91Å; F301-V305 HydrophobicContact CE1-CG2 3.33Å; F301-V305 HydrophobicContact CE2-CG2 4.31Å; F301-V305 HydrophobicContact CZ-CG2 3.57Å; F301-V305 WeakPolarHBondContact O-CG2 3.33Å; F301-V305 PolarHBondContact O-N 2.65Å; R302-V305 PolarHBondContact O-N 2.98Å; V305-L307 VanDerWaalsContact C-N 3.3Å; V305-L307 PolarHBondContact O-N 3.44Å; V305-G308 PolarHBondContact O-N 3.41Å; V305-T309 WeakPolarHBondContact O-CB 3.34Å; V305-T309 PolarHBondContact O-N 3.39Å; V305-T309 PolarHBondContact O-OG1 3.28Å; V305-L345 HydrophobicContact CG1-CD2 4.37Å; V305-F349 HydrophobicContact CB-CB 4.48Å; V305-F349 HydrophobicContact CG1-CB 4.06Å; V305-F349 HydrophobicContact CG1-CD2 4.2Å; V305-F349 HydrophobicContact CG1-CG 4.13Å
306	M	91.1	Very high	90	Very high	6 Å²	6	63 Å²	63	3%	0.03	32%	0.317	C	S	.	.	H	α-helix	trans	-60.9	-39.7	176.7	-73.9	177.1	75.9	0	0	112.2	R302 Q303 P310 F350 M354 A357 L358	R302-M306 WeakPolarHBondContact O-CB 3.47Å; R302-M306 WeakPolarHBondContact O-CG 3.21Å; R302-M306 PolarHBondContact O-N 3.27Å; Q303-M306 PolarHBondContact O-N 3.44Å; M306-P310 WeakPolarHBondContact O-CD 3.22Å; M306-F350 HydrophobicContact CB-CD1 4.44Å; M306-F350 HydrophobicContact CB-CE1 4.43Å; M306-F350 HydrophobicContact CE-CB 4.23Å; M306-F350 HydrophobicContact CE-CG 4.4Å; M306-F350 HydrophobicContact CG-CB 4.35Å; M306-F350 HydrophobicContact CG-CD1 3.39Å; M306-F350 HydrophobicContact CG-CE1 3.81Å; M306-F350 HydrophobicContact CG-CG 3.91Å; M306-F350 HydrophobicContact SD-CB 4.36Å; M306-F350 HydrophobicContact SD-CD1 4.45Å; M306-M354 HydrophobicContact CE-CB 4.23Å; M306-M354 HydrophobicContact SD-CB 4.14Å; M306-M354 HydrophobicContact SD-CE 3.29Å; M306-M354 WeakPolarHBondContact SD-CE 3.45Å; M306-M354 HydrophobicContact SD-SD 4.29Å; M306-A357 HydrophobicContact CB-CB 4.08Å; M306-A357 HydrophobicContact CE-CB 4.16Å; M306-A357 HydrophobicContact SD-CB 4.34Å; M306-L358 HydrophobicContact CE-CB 4.01Å
307	L	91.4	Very high	90.9	Very high	56 Å²	56	61.2 Å²	61.2	29%	0.293	31%	0.312	S	S	.	.	H	α-helix	trans	-71.6	-38.8	179.1	-169.8	73.1	0	0	0	112.2	Q303 K304 V305 F311 L360 G361 L364	Q303-L307 VanDerWaalsContact O-CB 3.3Å; Q303-L307 WeakPolarHBondContact O-CB 3.5Å; Q303-L307 PolarHBondContact O-N 2.99Å; K304-L307 PolarHBondContact O-N 3.26Å; V305-L307 VanDerWaalsContact C-N 3.3Å; V305-L307 PolarHBondContact O-N 3.44Å; L307-F311 WeakPolarHBondContact O-CD2 3.44Å; L307-L360 HydrophobicContact CD1-CB 4.4Å; L307-L360 HydrophobicContact CD1-CD2 4.32Å; L307-L360 HydrophobicContact CD1-CG 4.12Å; L307-G361 VanDerWaalsContact CD1-CA 3.5Å; L307-L364 HydrophobicContact CD1-CD1 4.15Å
308	G	93.6	Very high	91.9	Very high	32 Å²	32	58 Å²	58	33%	0.33	29%	0.285	S	S	.	.	H	α-helix	trans	-83	-30.4	-176.3	0	0	0	0	0	114.7	K304 V305 F311	K304-G308 PolarHBondContact O-N 3.36Å; V305-G308 PolarHBondContact O-N 3.41Å; G308-F311 WeakPolarHBondContact O-CB 3.08Å; G308-F311 PolarHBondContact O-N 3.16Å
309	T	94.1	Very high	92.5	Very high	15 Å²	15	58.6 Å²	58.6	9%	0.092	28%	0.284	C	S	.	.	H	α-helix	trans	-54.8	-45.1	-176.4	-61.6	0	0	0	0	112.9	V305 F311 L312 V313 L345 F350	V305-T309 WeakPolarHBondContact O-CB 3.34Å; V305-T309 PolarHBondContact O-N 3.39Å; V305-T309 PolarHBondContact O-OG1 3.28Å; T309-F311 VanDerWaalsContact C-N 3.26Å; T309-F311 PolarHBondContact O-N 3.36Å; T309-L312 PolarHBondContact O-N 2.74Å; T309-V313 HydrophobicContact CG2-CG2 3.83Å; T309-V313 WeakPolarHBondContact O-CG2 3.47Å; T309-V313 PolarHBondContact O-N 2.87Å; T309-L345 HydrophobicContact CG2-CD1 3.93Å; T309-F350 HydrophobicContact CG2-CZ 4.06Å
310	P	94.9	Very high	93.2	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.058	25%	0.252	C	S	.	.	H	α-helix	trans	-58.4	-31.8	177.9	-27.3	37.2	0	0	0	114.6	M306 V313 I314 L358 I362 A365	M306-P310 WeakPolarHBondContact O-CD 3.22Å; P310-V313 PolarHBondContact O-N 2.95Å; P310-I314 HydrophobicContact CB-CD1 4.5Å; P310-I314 WeakPolarHBondContact O-CB 3.5Å; P310-I314 WeakPolarHBondContact O-CD1 3.38Å; P310-I314 VanDerWaalsContact O-CG1 3.31Å; P310-I314 WeakPolarHBondContact O-CG1 3.44Å; P310-I314 PolarHBondContact O-N 3.47Å; P310-L358 HydrophobicContact CG-CD1 3.82Å; P310-I362 HydrophobicContact CB-CG1 4Å; P310-I362 HydrophobicContact CG-CG1 3.85Å; P310-A365 HydrophobicContact CB-CB 3.77Å
311	F	97	Very high	93.6	Very high	53 Å²	53	46.9 Å²	46.9	23%	0.232	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-47.1	177.1	-73.7	-105.3	0	0	0	111.3	L307 G308 T309 W315 L364 A365 F368 W369	L307-F311 WeakPolarHBondContact O-CD2 3.44Å; G308-F311 WeakPolarHBondContact O-CB 3.08Å; G308-F311 PolarHBondContact O-N 3.16Å; T309-F311 VanDerWaalsContact C-N 3.26Å; T309-F311 PolarHBondContact O-N 3.36Å; F311-W315 WeakPolarHBondContact O-CB 3.16Å; F311-W315 PolarHBondContact O-N 2.99Å; F311-L364 HydrophobicContact CE2-CB 4.05Å; F311-L364 HydrophobicContact CZ-CB 3.76Å; F311-A365 HydrophobicContact CB-CB 4.26Å; F311-A365 HydrophobicContact CD1-CB 4.14Å; F311-A365 HydrophobicContact CD2-CB 3.6Å; F311-A365 HydrophobicContact CE1-CB 4.44Å; F311-A365 HydrophobicContact CE2-CB 3.91Å; F311-A365 HydrophobicContact CG-CB 3.72Å; F311-A365 HydrophobicContact CZ-CB 4.33Å; F311-F368 HydrophobicContact CD1-CB 4.01Å; F311-F368 AromaticContact CD1-CD1 3.79Å; F311-F368 HydrophobicContact CD1-CD1 3.79Å; F311-F368 HydrophobicContact CD1-CE1 4.46Å; F311-F368 AromaticContact CD1-CG 3.89Å; F311-F368 HydrophobicContact CD1-CG 3.89Å; F311-F368 HydrophobicContact CE1-CB 3.48Å; F311-F368 VanDerWaalsContact CE1-CB 3.48Å; F311-F368 HydrophobicContact CE1-CD1 4.04Å; F311-F368 HydrophobicContact CE1-CD2 4.19Å; F311-F368 AromaticContact CE1-CG 3.64Å; F311-F368 HydrophobicContact CE1-CG 3.64Å; F311-F368 HydrophobicContact CZ-CB 4.43Å; F311-W369 PolarHBondContact O-NE1 2.99Å
312	L	96.4	Very high	93.8	Very high	110 Å²	110	47.6 Å²	47.6	58%	0.576	24%	0.243	S	C	*	.	H	α-helix	trans	-71.2	-41.4	179.1	-65.9	177.8	0	0	0	111.9	T309 W315 L316	T309-L312 PolarHBondContact O-N 2.74Å; L312-W315 PolarHBondContact O-N 3.45Å; L312-L316 WeakPolarHBondContact O-CB 3.34Å; L312-L316 VanDerWaalsContact O-CG 3.29Å; L312-L316 WeakPolarHBondContact O-CG 3.41Å; L312-L316 PolarHBondContact O-N 3.47Å
313	V	96.4	Very high	94.1	Very high	39 Å²	39	47.7 Å²	47.7	24%	0.236	25%	0.246	C	C	.	.	H	α-helix	trans	-66.4	-46.5	-176.8	173.8	0	0	0	0	111.7	T309 P310 W315 L316 V317 V338 V342	T309-V313 HydrophobicContact CG2-CG2 3.83Å; T309-V313 WeakPolarHBondContact O-CG2 3.47Å; T309-V313 PolarHBondContact O-N 2.87Å; P310-V313 PolarHBondContact O-N 2.95Å; V313-W315 VanDerWaalsContact C-N 3.26Å; V313-W315 PolarHBondContact O-N 2.86Å; V313-L316 PolarHBondContact O-N 2.9Å; V313-V317 HydrophobicContact CG1-CG2 4.41Å; V313-V317 VanDerWaalsContact O-CG2 3.31Å; V313-V317 WeakPolarHBondContact O-CG2 3.29Å; V313-V317 PolarHBondContact O-N 3.44Å; V313-V338 HydrophobicContact CG1-CG1 4.49Å; V313-V342 HydrophobicContact CG1-CG2 4.38Å; V313-V342 HydrophobicContact CG2-CG2 3.49Å; V313-V342 VanDerWaalsContact CG2-CG2 3.49Å
314	I	95.8	Very high	94.3	Very high	15 Å²	15	50.5 Å²	50.5	8%	0.077	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-40.4	179	-71.8	163.3	0	0	0	110.7	P310 G318 A365 T366 W369 W533	P310-I314 HydrophobicContact CB-CD1 4.5Å; P310-I314 WeakPolarHBondContact O-CB 3.5Å; P310-I314 WeakPolarHBondContact O-CD1 3.38Å; P310-I314 VanDerWaalsContact O-CG1 3.31Å; P310-I314 WeakPolarHBondContact O-CG1 3.44Å; P310-I314 PolarHBondContact O-N 3.47Å; I314-G318 PolarHBondContact O-N 3.48Å; I314-A365 HydrophobicContact CD1-CB 3.7Å; I314-T366 HydrophobicContact CD1-CG2 3.48Å; I314-T366 VanDerWaalsContact CD1-CG2 3.48Å; I314-W369 HydrophobicContact CG2-CG 4.26Å; I314-W533 PolarHBondContact O-NE1 3.44Å
315	W	96.8	Very high	94.3	Very high	90 Å²	90	47.1 Å²	47.1	34%	0.341	25%	0.252	S	S	.	.	H	α-helix	trans	-65.7	-52.1	175.4	175	70.2	0	0	0	112.5	F311 L312 V313 V317 G318 F319 W369	F311-W315 WeakPolarHBondContact O-CB 3.16Å; F311-W315 PolarHBondContact O-N 2.99Å; L312-W315 PolarHBondContact O-N 3.45Å; V313-W315 VanDerWaalsContact C-N 3.26Å; V313-W315 PolarHBondContact O-N 2.86Å; W315-V317 VanDerWaalsContact C-N 3.26Å; W315-V317 PolarHBondContact O-N 3.45Å; W315-G318 PolarHBondContact O-N 3.38Å; W315-F319 HydrophobicContact CH2-CG 4.49Å; W315-F319 HydrophobicContact CZ2-CB 4.34Å; W315-F319 HydrophobicContact CZ2-CD1 4.46Å; W315-F319 AromaticContact CZ2-CD2 4Å; W315-F319 HydrophobicContact CZ2-CD2 4Å; W315-F319 HydrophobicContact CZ2-CE2 4.44Å; W315-F319 HydrophobicContact CZ2-CG 4.01Å; W315-F319 VanDerWaalsContact O-CB 3.27Å; W315-F319 WeakPolarHBondContact O-CB 3.3Å; W315-F319 PolarHBondContact O-N 3.27Å; W315-W369 HydrophobicContact CB-CD2 4.46Å; W315-W369 HydrophobicContact CB-CH2 3.96Å; W315-W369 HydrophobicContact CB-CZ2 3.4Å; W315-W369 AromaticContact CD1-CH2 3.45Å; W315-W369 VanDerWaalsContact CD1-CH2 3.45Å; W315-W369 AromaticContact CD1-CZ2 3.85Å; W315-W369 AromaticContact CD1-CZ3 3.79Å; W315-W369 AromaticContact CG-CH2 3.76Å; W315-W369 HydrophobicContact CG-CH2 3.76Å; W315-W369 AromaticContact CG-CZ2 3.71Å; W315-W369 HydrophobicContact CG-CZ2 3.71Å; W315-W369 HydrophobicContact CG-CZ3 4.45Å
316	L	97.2	Very high	94.2	Very high	56 Å²	56	53 Å²	53	29%	0.293	28%	0.283	S	S	.	.	H	α-helix	trans	-56.6	-41.2	-179.7	-78.8	169	0	0	0	111.7	L312 V313 F319 I320 V338	L312-L316 WeakPolarHBondContact O-CB 3.34Å; L312-L316 VanDerWaalsContact O-CG 3.29Å; L312-L316 WeakPolarHBondContact O-CG 3.41Å; L312-L316 PolarHBondContact O-N 3.47Å; V313-L316 PolarHBondContact O-N 2.9Å; L316-F319 PolarHBondContact O-N 3.16Å; L316-I320 WeakPolarHBondContact O-CB 3.4Å; L316-I320 WeakPolarHBondContact O-CD1 3.46Å; L316-I320 WeakPolarHBondContact O-CG1 3.25Å; L316-I320 PolarHBondContact O-N 2.81Å; L316-V338 HydrophobicContact CB-CG2 4.14Å; L316-V338 HydrophobicContact CD1-CG2 4.18Å
317	V	95.9	Very high	94.3	Very high	35 Å²	35	55 Å²	55	21%	0.212	30%	0.297	C	S	.	.	H	α-helix	trans	-60.7	-50.2	178.3	168.8	0	0	0	0	111	V313 W315 A321 Y335 W533	V313-V317 HydrophobicContact CG1-CG2 4.41Å; V313-V317 VanDerWaalsContact O-CG2 3.31Å; V313-V317 WeakPolarHBondContact O-CG2 3.29Å; V313-V317 PolarHBondContact O-N 3.44Å; W315-V317 VanDerWaalsContact C-N 3.26Å; W315-V317 PolarHBondContact O-N 3.45Å; V317-A321 PolarHBondContact O-N 3.23Å; V317-Y335 HydrophobicContact CG1-CE1 4.31Å; V317-Y335 PolarHBondContact O-OH 3.49Å; V317-W533 HydrophobicContact CB-CZ2 4.26Å; V317-W533 HydrophobicContact CG1-CD2 4.09Å; V317-W533 HydrophobicContact CG1-CE3 4.34Å; V317-W533 HydrophobicContact CG1-CH2 4.14Å; V317-W533 HydrophobicContact CG1-CZ2 3.84Å; V317-W533 HydrophobicContact CG1-CZ3 4.38Å
318	G	95	Very high	94.2	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-68.4	-39.4	178.9	0	0	0	0	0	112.9	I314 W315 A321 D322	I314-G318 PolarHBondContact O-N 3.48Å; W315-G318 PolarHBondContact O-N 3.38Å; G318-A321 WeakPolarHBondContact O-CB 3.2Å; G318-A321 PolarHBondContact O-N 3.37Å; G318-D322 WeakPolarHBondContact O-CB 3.33Å; G318-D322 PolarHBondContact O-N 3.12Å; G318-D322 VanDerWaalsContact O-N 3.09Å
319	F	95.1	Very high	94.3	Very high	87 Å²	87	67.2 Å²	67.2	38%	0.382	34%	0.338	S	S	.	.	H	α-helix	trans	-62.8	-46.3	178.1	179.2	-100.3	0	0	0	112.2	W315 L316 A321 D322 L323	W315-F319 HydrophobicContact CH2-CG 4.49Å; W315-F319 HydrophobicContact CZ2-CB 4.34Å; W315-F319 HydrophobicContact CZ2-CD1 4.46Å; W315-F319 AromaticContact CZ2-CD2 4Å; W315-F319 HydrophobicContact CZ2-CD2 4Å; W315-F319 HydrophobicContact CZ2-CE2 4.44Å; W315-F319 HydrophobicContact CZ2-CG 4.01Å; W315-F319 VanDerWaalsContact O-CB 3.27Å; W315-F319 WeakPolarHBondContact O-CB 3.3Å; W315-F319 PolarHBondContact O-N 3.27Å; L316-F319 PolarHBondContact O-N 3.16Å; F319-A321 PolarHBondContact O-N 3.2Å; F319-D322 PolarHBondContact O-N 3.16Å; F319-D322 VanDerWaalsContact O-N 3.12Å; F319-L323 HydrophobicContact CD1-CD1 4.43Å; F319-L323 HydrophobicContact CD1-CG 4.41Å; F319-L323 HydrophobicContact CE1-CD1 4.11Å; F319-L323 HydrophobicContact CE1-CD2 3.84Å; F319-L323 HydrophobicContact CE1-CG 4.1Å; F319-L323 HydrophobicContact CE2-CD2 4.43Å; F319-L323 HydrophobicContact CZ-CD2 3.75Å; F319-L323 HydrophobicContact CZ-CG 4.42Å; F319-L323 WeakPolarHBondContact O-CG 3.21Å; F319-L323 PolarHBondContact O-N 2.92Å; F319-L323 VanDerWaalsContact O-N 3.08Å
320	I	96.3	Very high	94.4	Very high	5 Å²	5	70.4 Å²	70.4	3%	0.026	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-38.4	177.1	-68.4	164.5	0	0	0	110.8	L316 D322 K331 M334 Y335 V338	L316-I320 WeakPolarHBondContact O-CB 3.4Å; L316-I320 WeakPolarHBondContact O-CD1 3.46Å; L316-I320 WeakPolarHBondContact O-CG1 3.25Å; L316-I320 PolarHBondContact O-N 2.81Å; I320-D322 VanDerWaalsContact C-N 3.31Å; I320-D322 PolarHBondContact O-N 2.9Å; I320-K331 HydrophobicContact CG2-CB 4.28Å; I320-K331 HydrophobicContact CG2-CG 4.39Å; I320-K331 WeakPolarHBondContact O-CE 3.46Å; I320-M334 HydrophobicContact CD1-CB 3.89Å; I320-M334 HydrophobicContact CG1-CB 4.2Å; I320-M334 HydrophobicContact CG1-CE 4.09Å; I320-M334 HydrophobicContact CG2-CB 4.08Å; I320-M334 HydrophobicContact CG2-SD 4.44Å; I320-Y335 HydrophobicContact CB-CD1 4.48Å; I320-Y335 HydrophobicContact CB-CE1 3.88Å; I320-Y335 HydrophobicContact CD1-CD1 4.06Å; I320-Y335 HydrophobicContact CD1-CE1 4.2Å; I320-Y335 HydrophobicContact CG2-CD1 4.21Å; I320-Y335 HydrophobicContact CG2-CD2 4.05Å; I320-Y335 HydrophobicContact CG2-CE1 3.81Å; I320-Y335 HydrophobicContact CG2-CE2 3.62Å; I320-Y335 HydrophobicContact CG2-CG 4.32Å; I320-Y335 VanDerWaalsContact CG2-CZ 3.49Å; I320-V338 HydrophobicContact CD1-CG2 3.66Å
321	A	93.3	Very high	94.4	Very high	23 Å²	23	71.4 Å²	71.4	19%	0.19	36%	0.357	C	S	.	.	H	α-helix	trans	-62.1	-42.1	176.7	0	0	0	0	0	111.4	V317 G318 F319 K331 Y335 P529	V317-A321 PolarHBondContact O-N 3.23Å; G318-A321 WeakPolarHBondContact O-CB 3.2Å; G318-A321 PolarHBondContact O-N 3.37Å; F319-A321 PolarHBondContact O-N 3.2Å; A321-K331 PolarHBondContact O-NZ 3.38Å; A321-Y335 WeakPolarHBondContact CA-OH 3.5Å; A321-Y335 WeakPolarHBondContact CB-OH 3.21Å; A321-Y335 PolarHBondContact N-OH 2.78Å; A321-P529 HydrophobicContact CB-CB 3.56Å; A321-P529 WeakPolarHBondContact O-CG 3.41Å
322	D	92.7	Very high	94.3	Very high	78 Å²	78	70.8 Å²	70.8	42%	0.417	37%	0.366	S	S	.	.	H	α-helix	trans	-78	-14.3	-175.7	-146.4	60.1	0	0	0	114.3	G318 F319 I320 N324 P529 W530	G318-D322 WeakPolarHBondContact O-CB 3.33Å; G318-D322 PolarHBondContact O-N 3.12Å; G318-D322 VanDerWaalsContact O-N 3.09Å; F319-D322 PolarHBondContact O-N 3.16Å; F319-D322 VanDerWaalsContact O-N 3.12Å; I320-D322 VanDerWaalsContact C-N 3.31Å; I320-D322 PolarHBondContact O-N 2.9Å; D322-N324 PolarHBondContact O-N 3.24Å; D322-P529 WeakPolarHBondContact OD1-CD 3.39Å; D322-W530 PolarHBondContact OD1-N 3.06Å
323	L	94	Very high	94.4	Very high	42 Å²	42	71.3 Å²	71.3	22%	0.22	37%	0.368	C	S	.	.	S	Bend	trans	-59.7	131.2	176	-74.8	172.6	0	0	0	111.6	F319 I325 K331 M334	F319-L323 HydrophobicContact CD1-CD1 4.43Å; F319-L323 HydrophobicContact CD1-CG 4.41Å; F319-L323 HydrophobicContact CE1-CD1 4.11Å; F319-L323 HydrophobicContact CE1-CD2 3.84Å; F319-L323 HydrophobicContact CE1-CG 4.1Å; F319-L323 HydrophobicContact CE2-CD2 4.43Å; F319-L323 HydrophobicContact CZ-CD2 3.75Å; F319-L323 HydrophobicContact CZ-CG 4.42Å; F319-L323 WeakPolarHBondContact O-CG 3.21Å; F319-L323 PolarHBondContact O-N 2.92Å; F319-L323 VanDerWaalsContact O-N 3.08Å; L323-I325 HydrophobicContact CB-CD1 4.07Å; L323-I325 HydrophobicContact CB-CG1 4.2Å; L323-I325 HydrophobicContact CD1-CD1 4.05Å; L323-I325 PolarHBondContact O-N 2.79Å; L323-K331 WeakPolarHBondContact O-CE 3.33Å; L323-K331 PolarHBondContact O-NZ 2.55Å; L323-M334 HydrophobicContact CD1-CE 3.56Å; L323-M334 HydrophobicContact CD1-SD 3.94Å
324	N	90.9	Very high	94.4	Very high	158 Å²	158	72.7 Å²	72.7	85%	0.845	37%	0.373	S	S	*	.			trans	-75.5	64.1	174.9	-167.4	26.5	0	0	0	111.6	D322	D322-N324 PolarHBondContact O-N 3.24Å
325	I	91.6	Very high	94.5	Very high	55 Å²	55	75.9 Å²	75.9	28%	0.282	39%	0.385	S	S	.	.			trans	-123.2	115.1	177.9	-61.3	171.6	0	0	0	107.6	L323 S327 I330 K331	L323-I325 HydrophobicContact CB-CD1 4.07Å; L323-I325 HydrophobicContact CB-CG1 4.2Å; L323-I325 HydrophobicContact CD1-CD1 4.05Å; L323-I325 PolarHBondContact O-N 2.79Å; I325-S327 PolarHBondContact O-N 3.03Å; I325-I330 HydrophobicContact CD1-CG2 4.38Å; I325-I330 HydrophobicContact CG2-CB 4.16Å; I325-I330 HydrophobicContact CG2-CD1 4.31Å; I325-I330 HydrophobicContact CG2-CG2 4.27Å; I325-K331 VanDerWaalsContact O-CE 3.28Å; I325-K331 WeakPolarHBondContact O-CE 3.48Å
326	D	88.1	Confident	94.5	Very high	150 Å²	150	73.3 Å²	73.3	80%	0.802	39%	0.386	S	S	*	.			trans	-68.9	-24.4	-179.5	-61.5	-42.7	0	0	0	113	W328	D326-W328 PolarHBondContact O-N 3.1Å; D326-W328 VanDerWaalsContact O-N 3.16Å
327	S	93.1	Very high	94.5	Very high	47 Å²	47	72.3 Å²	72.3	33%	0.329	39%	0.39	S	S	.	.			trans	-77.6	102.6	-178.7	-176.9	0	0	0	0	112.2	I325 L329 I330 K331	I325-S327 PolarHBondContact O-N 3.03Å; S327-L329 PolarHBondContact O-N 3.37Å; S327-I330 PolarHBondContact O-N 3.35Å; S327-I330 VanDerWaalsContact O-N 3.11Å; S327-I330 PolarHBondContact OG-N 2.97Å; S327-K331 PolarHBondContact O-N 2.82Å
328	W	90.7	Very high	94.6	Very high	215 Å²	215	71.5 Å²	71.5	81%	0.814	39%	0.385	S	S	*	.	H	α-helix	trans	-58.1	-28.8	169.6	-75.4	87.9	0	0	0	113.2	D326 K331 G332	D326-W328 PolarHBondContact O-N 3.1Å; D326-W328 VanDerWaalsContact O-N 3.16Å; W328-K331 PolarHBondContact O-N 3.43Å; W328-G332 PolarHBondContact O-N 3.48Å
329	L	95	Very high	94.7	Very high	130 Å²	130	79.5 Å²	79.5	68%	0.681	42%	0.415	S	S	*	.	H	α-helix	trans	-63.6	-44.6	175	-179.1	63	0	0	0	110.9	S327 G332 L333	S327-L329 PolarHBondContact O-N 3.37Å; L329-G332 PolarHBondContact O-N 3.31Å; L329-L333 WeakPolarHBondContact O-CG 3.18Å; L329-L333 PolarHBondContact O-N 3.41Å
330	I	95.5	Very high	94.8	Very high	81 Å²	81	77.7 Å²	77.7	42%	0.415	42%	0.416	S	S	.	.	H	α-helix	trans	-64.8	-47.5	177.8	-64.5	175.7	0	0	0	110.2	I325 S327 G332 L333 M334	I325-I330 HydrophobicContact CD1-CG2 4.38Å; I325-I330 HydrophobicContact CG2-CB 4.16Å; I325-I330 HydrophobicContact CG2-CD1 4.31Å; I325-I330 HydrophobicContact CG2-CG2 4.27Å; S327-I330 PolarHBondContact O-N 3.35Å; S327-I330 VanDerWaalsContact O-N 3.11Å; S327-I330 PolarHBondContact OG-N 2.97Å; I330-G332 VanDerWaalsContact C-N 3.27Å; I330-G332 PolarHBondContact O-N 2.74Å; I330-L333 PolarHBondContact O-N 2.85Å; I330-L333 VanDerWaalsContact O-N 3.15Å; I330-M334 HydrophobicContact CG2-SD 4.28Å; I330-M334 WeakPolarHBondContact O-CG 3.39Å; I330-M334 PolarHBondContact O-N 2.94Å
331	K	95	Very high	94.7	Very high	30 Å²	30	81.3 Å²	81.3	13%	0.13	44%	0.438	C	S	.	.	H	α-helix	trans	-56.6	-42.9	174.6	-70.5	-172.5	175.2	-175.3	0	111.4	I320 A321 L323 I325 S327 W328 L333 M334 Y335	I320-K331 HydrophobicContact CG2-CB 4.28Å; I320-K331 HydrophobicContact CG2-CG 4.39Å; I320-K331 WeakPolarHBondContact O-CE 3.46Å; A321-K331 PolarHBondContact O-NZ 3.38Å; L323-K331 WeakPolarHBondContact O-CE 3.33Å; L323-K331 PolarHBondContact O-NZ 2.55Å; I325-K331 VanDerWaalsContact O-CE 3.28Å; I325-K331 WeakPolarHBondContact O-CE 3.48Å; S327-K331 PolarHBondContact O-N 2.82Å; W328-K331 PolarHBondContact O-N 3.43Å; K331-L333 PolarHBondContact O-N 2.71Å; K331-M334 WeakPolarHBondContact O-CB 3.43Å; K331-M334 PolarHBondContact O-N 3.03Å; K331-Y335 HydrophobicContact CB-CE2 4.38Å; K331-Y335 WeakPolarHBondContact O-CD2 2.99Å; K331-Y335 PolarHBondContact O-N 3.17Å
332	G	96	Very high	94.7	Very high	40 Å²	40	82.1 Å²	82.1	41%	0.412	44%	0.441	S	S	.	.	H	α-helix	trans	-58.7	-44.3	175.1	0	0	0	0	0	113.4	W328 L329 I330 M334 Y335 G336	W328-G332 PolarHBondContact O-N 3.48Å; L329-G332 PolarHBondContact O-N 3.31Å; I330-G332 VanDerWaalsContact C-N 3.27Å; I330-G332 PolarHBondContact O-N 2.74Å; G332-M334 VanDerWaalsContact C-N 3.35Å; G332-M334 PolarHBondContact O-N 3.49Å; G332-Y335 PolarHBondContact O-N 2.89Å; G332-G336 PolarHBondContact O-N 3.06Å
333	L	97.6	Very high	94.7	Very high	121 Å²	121	81.7 Å²	81.7	63%	0.634	44%	0.437	S	S	*	.	H	α-helix	trans	-63.2	-39.9	174.9	-69.7	174.5	0	0	0	112	L329 I330 K331 G336 G337	L329-L333 WeakPolarHBondContact O-CG 3.18Å; L329-L333 PolarHBondContact O-N 3.41Å; I330-L333 PolarHBondContact O-N 2.85Å; I330-L333 VanDerWaalsContact O-N 3.15Å; K331-L333 PolarHBondContact O-N 2.71Å; L333-G336 PolarHBondContact O-N 3.35Å; L333-G337 PolarHBondContact O-N 3.43Å
334	M	97.2	Very high	94.6	Very high	69 Å²	69	85.7 Å²	85.7	34%	0.34	45%	0.452	S	S	.	.	H	α-helix	trans	-64.3	-45.7	176.3	-64	176.4	80.6	0	0	111.6	I320 L323 I330 K331 G332 G336 G337 V338	I320-M334 HydrophobicContact CD1-CB 3.89Å; I320-M334 HydrophobicContact CG1-CB 4.2Å; I320-M334 HydrophobicContact CG1-CE 4.09Å; I320-M334 HydrophobicContact CG2-CB 4.08Å; I320-M334 HydrophobicContact CG2-SD 4.44Å; L323-M334 HydrophobicContact CD1-CE 3.56Å; L323-M334 HydrophobicContact CD1-SD 3.94Å; I330-M334 HydrophobicContact CG2-SD 4.28Å; I330-M334 WeakPolarHBondContact O-CG 3.39Å; I330-M334 PolarHBondContact O-N 2.94Å; K331-M334 WeakPolarHBondContact O-CB 3.43Å; K331-M334 PolarHBondContact O-N 3.03Å; G332-M334 VanDerWaalsContact C-N 3.35Å; G332-M334 PolarHBondContact O-N 3.49Å; M334-G336 VanDerWaalsContact C-N 3.31Å; M334-G336 PolarHBondContact O-N 3.42Å; M334-G337 WeakPolarHBondContact O-CA 3.48Å; M334-G337 PolarHBondContact O-N 3Å; M334-G337 VanDerWaalsContact O-N 3.11Å; M334-V338 WeakPolarHBondContact O-CG2 3.32Å; M334-V338 PolarHBondContact O-N 2.97Å
335	Y	97.1	Very high	94.5	Very high	81 Å²	81	79.9 Å²	79.9	32%	0.318	42%	0.421	S	S	.	.	H	α-helix	trans	-61	-39.8	173.3	-72.9	-57.8	0	0	0	112.2	V317 I320 A321 K331 G332 G337 V338 W339	V317-Y335 HydrophobicContact CG1-CE1 4.31Å; V317-Y335 PolarHBondContact O-OH 3.49Å; I320-Y335 HydrophobicContact CB-CD1 4.48Å; I320-Y335 HydrophobicContact CB-CE1 3.88Å; I320-Y335 HydrophobicContact CD1-CD1 4.06Å; I320-Y335 HydrophobicContact CD1-CE1 4.2Å; I320-Y335 HydrophobicContact CG2-CD1 4.21Å; I320-Y335 HydrophobicContact CG2-CD2 4.05Å; I320-Y335 HydrophobicContact CG2-CE1 3.81Å; I320-Y335 HydrophobicContact CG2-CE2 3.62Å; I320-Y335 HydrophobicContact CG2-CG 4.32Å; I320-Y335 VanDerWaalsContact CG2-CZ 3.49Å; A321-Y335 WeakPolarHBondContact CA-OH 3.5Å; A321-Y335 WeakPolarHBondContact CB-OH 3.21Å; A321-Y335 PolarHBondContact N-OH 2.78Å; K331-Y335 HydrophobicContact CB-CE2 4.38Å; K331-Y335 WeakPolarHBondContact O-CD2 2.99Å; K331-Y335 PolarHBondContact O-N 3.17Å; G332-Y335 PolarHBondContact O-N 2.89Å; Y335-G337 VanDerWaalsContact C-N 3.3Å; Y335-G337 PolarHBondContact O-N 2.97Å; Y335-V338 PolarHBondContact O-N 2.71Å; Y335-W339 WeakPolarHBondContact O-CB 3.39Å; Y335-W339 PolarHBondContact O-N 3.15Å
336	G	97.6	Very high	94.4	Very high	36 Å²	36	79.4 Å²	79.4	37%	0.371	42%	0.423	S	S	.	.	H	α-helix	trans	-57.8	-41.5	171.8	0	0	0	0	0	112.4	G332 L333 M334 W339 A340	G332-G336 PolarHBondContact O-N 3.06Å; L333-G336 PolarHBondContact O-N 3.35Å; M334-G336 VanDerWaalsContact C-N 3.31Å; M334-G336 PolarHBondContact O-N 3.42Å; G336-W339 PolarHBondContact O-N 3.44Å; G336-A340 WeakPolarHBondContact O-CB 3.41Å; G336-A340 PolarHBondContact O-N 3.35Å
337	G	97.8	Very high	94.3	Very high	35 Å²	35	80.7 Å²	80.7	36%	0.361	42%	0.421	S	S	.	.	H	α-helix	trans	-64.5	-43.2	174.6	0	0	0	0	0	113.5	L333 M334 Y335 A340 T341	L333-G337 PolarHBondContact O-N 3.43Å; M334-G337 WeakPolarHBondContact O-CA 3.48Å; M334-G337 PolarHBondContact O-N 3Å; M334-G337 VanDerWaalsContact O-N 3.11Å; Y335-G337 VanDerWaalsContact C-N 3.3Å; Y335-G337 PolarHBondContact O-N 2.97Å; G337-A340 PolarHBondContact O-N 3.21Å; G337-T341 WeakPolarHBondContact O-CB 3.49Å; G337-T341 PolarHBondContact O-N 2.72Å; G337-T341 PolarHBondContact O-OG1 3.1Å
338	V	97.1	Very high	93.9	Very high	19 Å²	19	79.1 Å²	79.1	12%	0.115	41%	0.41	C	S	.	.	H	α-helix	trans	-61.1	-48.2	173.5	176.4	0	0	0	0	110.2	V313 L316 I320 M334 Y335 A340 T341 V342	V313-V338 HydrophobicContact CG1-CG1 4.49Å; L316-V338 HydrophobicContact CB-CG2 4.14Å; L316-V338 HydrophobicContact CD1-CG2 4.18Å; I320-V338 HydrophobicContact CD1-CG2 3.66Å; M334-V338 WeakPolarHBondContact O-CG2 3.32Å; M334-V338 PolarHBondContact O-N 2.97Å; Y335-V338 PolarHBondContact O-N 2.71Å; V338-A340 PolarHBondContact O-N 2.96Å; V338-T341 WeakPolarHBondContact O-CB 3.42Å; V338-T341 PolarHBondContact O-N 2.88Å; V338-V342 HydrophobicContact CG1-CG2 4.43Å; V338-V342 WeakPolarHBondContact O-CG2 3.45Å; V338-V342 PolarHBondContact O-N 3.12Å
339	W	96.6	Very high	93.6	Very high	168 Å²	168	69.7 Å²	69.7	64%	0.636	38%	0.375	S	S	*	.	H	α-helix	trans	-59.2	-46.8	178	175.6	88	0	0	0	112	Y335 G336 T341 V342 Q343	Y335-W339 WeakPolarHBondContact O-CB 3.39Å; Y335-W339 PolarHBondContact O-N 3.15Å; G336-W339 PolarHBondContact O-N 3.44Å; W339-T341 VanDerWaalsContact C-N 3.3Å; W339-T341 PolarHBondContact O-N 2.82Å; W339-V342 PolarHBondContact O-N 3.09Å; W339-Q343 HydrophobicContact CD2-CG 3.96Å; W339-Q343 HydrophobicContact CE3-CG 4.33Å; W339-Q343 HydrophobicContact CH2-CG 4.14Å; W339-Q343 HydrophobicContact CZ2-CG 3.74Å; W339-Q343 HydrophobicContact CZ3-CG 4.41Å; W339-Q343 WeakPolarHBondContact O-CB 3.45Å; W339-Q343 WeakPolarHBondContact O-CG 3.44Å; W339-Q343 PolarHBondContact O-N 2.78Å
340	A	97.1	Very high	93	Very high	49 Å²	49	65.1 Å²	65.1	41%	0.405	35%	0.35	S	S	.	.	H	α-helix	trans	-61.1	-40	177.4	0	0	0	0	0	111.8	G336 G337 V338 Q343 F344	G336-A340 WeakPolarHBondContact O-CB 3.41Å; G336-A340 PolarHBondContact O-N 3.35Å; G337-A340 PolarHBondContact O-N 3.21Å; V338-A340 PolarHBondContact O-N 2.96Å; A340-Q343 PolarHBondContact O-N 3.22Å; A340-F344 WeakPolarHBondContact O-CB 3.49Å; A340-F344 PolarHBondContact O-N 3.3Å
341	T	94	Very high	91.9	Very high	80 Å²	80	63.2 Å²	63.2	49%	0.491	34%	0.34	S	S	.	.	H	α-helix	trans	-64.4	-45.3	175.7	-56.7	0	0	0	0	111.2	G337 V338 W339 Q343 F344 L345	G337-T341 WeakPolarHBondContact O-CB 3.49Å; G337-T341 PolarHBondContact O-N 2.72Å; G337-T341 PolarHBondContact O-OG1 3.1Å; V338-T341 WeakPolarHBondContact O-CB 3.42Å; V338-T341 PolarHBondContact O-N 2.88Å; W339-T341 VanDerWaalsContact C-N 3.3Å; W339-T341 PolarHBondContact O-N 2.82Å; T341-Q343 PolarHBondContact O-N 3.28Å; T341-F344 PolarHBondContact O-N 3.26Å; T341-L345 HydrophobicContact CG2-CD1 4.19Å; T341-L345 HydrophobicContact CG2-CG 4.47Å; T341-L345 WeakPolarHBondContact O-CB 3.42Å; T341-L345 WeakPolarHBondContact O-CG 3.32Å; T341-L345 PolarHBondContact O-N 2.82Å
342	V	93.3	Very high	90.5	Very high	40 Å²	40	69.7 Å²	69.7	24%	0.242	37%	0.371	C	S	.	.	H	α-helix	trans	-62.6	-41.5	176	172	0	0	0	0	111.2	V313 V338 W339 L345 S346	V313-V342 HydrophobicContact CG1-CG2 4.38Å; V313-V342 HydrophobicContact CG2-CG2 3.49Å; V313-V342 VanDerWaalsContact CG2-CG2 3.49Å; V338-V342 HydrophobicContact CG1-CG2 4.43Å; V338-V342 WeakPolarHBondContact O-CG2 3.45Å; V338-V342 PolarHBondContact O-N 3.12Å; W339-V342 PolarHBondContact O-N 3.09Å; V342-L345 PolarHBondContact O-N 3.2Å; V342-S346 WeakPolarHBondContact O-CB 3.47Å; V342-S346 PolarHBondContact O-N 3.14Å
343	Q	92.9	Very high	89	Confident	70 Å²	70	71.7 Å²	71.7	33%	0.327	38%	0.378	S	S	.	.	H	α-helix	trans	-63	-42.6	175.5	-73.2	-62.3	-35	0	0	111.8	W339 A340 T341 S346 K347	W339-Q343 HydrophobicContact CD2-CG 3.96Å; W339-Q343 HydrophobicContact CE3-CG 4.33Å; W339-Q343 HydrophobicContact CH2-CG 4.14Å; W339-Q343 HydrophobicContact CZ2-CG 3.74Å; W339-Q343 HydrophobicContact CZ3-CG 4.41Å; W339-Q343 WeakPolarHBondContact O-CB 3.45Å; W339-Q343 WeakPolarHBondContact O-CG 3.44Å; W339-Q343 PolarHBondContact O-N 2.78Å; A340-Q343 PolarHBondContact O-N 3.22Å; T341-Q343 PolarHBondContact O-N 3.28Å; Q343-S346 PolarHBondContact O-N 3.34Å; Q343-K347 WeakPolarHBondContact O-CB 3.47Å; Q343-K347 WeakPolarHBondContact O-CG 3.26Å; Q343-K347 PolarHBondContact O-N 3.42Å
344	F	91.8	Very high	87.6	Confident	125 Å²	125	67.4 Å²	67.4	55%	0.548	36%	0.355	S	S	.	.	H	α-helix	trans	-61.9	-47.3	174.9	172.3	-97	0	0	0	111.8	A340 T341 S348	A340-F344 WeakPolarHBondContact O-CB 3.49Å; A340-F344 PolarHBondContact O-N 3.3Å; T341-F344 PolarHBondContact O-N 3.26Å; F344-S348 WeakPolarHBondContact O-CB 3.23Å; F344-S348 PolarHBondContact O-N 3.5Å; F344-S348 PolarHBondContact O-OG 2.95Å
345	L	89.6	Confident	86.1	Confident	37 Å²	37	70.3 Å²	70.3	19%	0.194	37%	0.368	C	S	.	.	H	α-helix	trans	-64	-43.2	177.6	-70.9	175.5	0	0	0	111.4	V305 T309 T341 V342 S348 F349 F350	V305-L345 HydrophobicContact CG1-CD2 4.37Å; T309-L345 HydrophobicContact CG2-CD1 3.93Å; T341-L345 HydrophobicContact CG2-CD1 4.19Å; T341-L345 HydrophobicContact CG2-CG 4.47Å; T341-L345 WeakPolarHBondContact O-CB 3.42Å; T341-L345 WeakPolarHBondContact O-CG 3.32Å; T341-L345 PolarHBondContact O-N 2.82Å; V342-L345 PolarHBondContact O-N 3.2Å; L345-S348 PolarHBondContact O-N 3.37Å; L345-F349 HydrophobicContact CD2-CD2 3.87Å; L345-F349 HydrophobicContact CD2-CE2 3.98Å; L345-F349 PolarHBondContact O-N 2.87Å; L345-F350 HydrophobicContact CB-CE1 4.42Å
346	S	89.1	Confident	85	Confident	45 Å²	45	68 Å²	68	32%	0.315	36%	0.363	S	S	.	.	H	α-helix	trans	-60.8	-48.3	178.2	-172.2	0	0	0	0	111.4	V342 Q343 S348 F350	V342-S346 WeakPolarHBondContact O-CB 3.47Å; V342-S346 PolarHBondContact O-N 3.14Å; Q343-S346 PolarHBondContact O-N 3.34Å; S346-S348 VanDerWaalsContact C-N 3.29Å; S346-S348 PolarHBondContact O-N 3Å; S346-F350 WeakPolarHBondContact O-CB 2.99Å; S346-F350 PolarHBondContact O-N 3.08Å; S346-F350 VanDerWaalsContact O-N 3.16Å
347	K	86.4	Confident	84.5	Confident	177 Å²	177	66.3 Å²	66.3	77%	0.77	35%	0.346	S	S	*	.	H	α-helix	trans	-69.2	-28.2	177.7	-70.4	179.7	-179.2	-178.3	0	113.1	Q343	Q343-K347 WeakPolarHBondContact O-CB 3.47Å; Q343-K347 WeakPolarHBondContact O-CG 3.26Å; Q343-K347 PolarHBondContact O-N 3.42Å
348	S	84.6	Confident	84.1	Confident	14 Å²	14	67.2 Å²	67.2	10%	0.098	34%	0.342	C	S	.	.	H	α-helix	trans	-88	-36.4	-174.6	-72.3	0	0	0	0	113.9	K296 F344 L345 S346	K296-S348 WeakPolarHBondContact CG-O 3.29Å; K296-S348 PolarHBondContact NZ-OG 3.24Å; F344-S348 WeakPolarHBondContact O-CB 3.23Å; F344-S348 PolarHBondContact O-N 3.5Å; F344-S348 PolarHBondContact O-OG 2.95Å; L345-S348 PolarHBondContact O-N 3.37Å; S346-S348 VanDerWaalsContact C-N 3.29Å; S346-S348 PolarHBondContact O-N 3Å
349	F	83.9	Confident	83.7	Confident	16 Å²	16	67.8 Å²	67.8	7%	0.07	35%	0.346	C	S	.	.	H	α-helix	trans	-128.6	-26.8	-167.2	-62.1	-77	0	0	0	113.7	L295 K296 F301 R302 V305 L345 D351	L295-F349 HydrophobicContact CD2-CE1 4.4Å; L295-F349 HydrophobicContact CD2-CZ 4.45Å; L295-F349 HydrophobicContact CG-CE1 4.37Å; K296-F349 HydrophobicContact CG-CD1 4.21Å; K296-F349 HydrophobicContact CG-CE1 3.78Å; K296-F349 HydrophobicContact CG-CZ 4.24Å; F301-F349 HydrophobicContact CD1-CD1 4.32Å; F301-F349 HydrophobicContact CD1-CE1 4.12Å; F301-F349 HydrophobicContact CE1-CD1 4.17Å; F301-F349 AromaticContact CE1-CE1 3.71Å; F301-F349 HydrophobicContact CE1-CE1 3.71Å; F301-F349 HydrophobicContact CE1-CZ 4.32Å; R302-F349 HydrophobicContact CG-CD1 4.25Å; R302-F349 PolarHBondContact NE-O 2.89Å; V305-F349 HydrophobicContact CB-CB 4.48Å; V305-F349 HydrophobicContact CG1-CB 4.06Å; V305-F349 HydrophobicContact CG1-CD2 4.2Å; V305-F349 HydrophobicContact CG1-CG 4.13Å; L345-F349 HydrophobicContact CD2-CD2 3.87Å; L345-F349 HydrophobicContact CD2-CE2 3.98Å; L345-F349 PolarHBondContact O-N 2.87Å; F349-D351 PolarHBondContact O-N 3.14Å
350	F	82.5	Confident	83.4	Confident	35 Å²	35	60.9 Å²	60.9	15%	0.154	32%	0.322	C	S	.	.			trans	-77.5	115.6	-172.2	-66	12.8	0	0	0	109.4	M306 T309 L345 S346 L358	M306-F350 HydrophobicContact CB-CD1 4.44Å; M306-F350 HydrophobicContact CB-CE1 4.43Å; M306-F350 HydrophobicContact CE-CB 4.23Å; M306-F350 HydrophobicContact CE-CG 4.4Å; M306-F350 HydrophobicContact CG-CB 4.35Å; M306-F350 HydrophobicContact CG-CD1 3.39Å; M306-F350 HydrophobicContact CG-CE1 3.81Å; M306-F350 HydrophobicContact CG-CG 3.91Å; M306-F350 HydrophobicContact SD-CB 4.36Å; M306-F350 HydrophobicContact SD-CD1 4.45Å; T309-F350 HydrophobicContact CG2-CZ 4.06Å; L345-F350 HydrophobicContact CB-CE1 4.42Å; S346-F350 WeakPolarHBondContact O-CB 2.99Å; S346-F350 PolarHBondContact O-N 3.08Å; S346-F350 VanDerWaalsContact O-N 3.16Å; F350-L358 HydrophobicContact CD2-CD2 4.16Å; F350-L358 HydrophobicContact CE2-CD1 4.01Å; F350-L358 HydrophobicContact CE2-CD2 4.06Å; F350-L358 HydrophobicContact CZ-CD1 4.36Å
351	D	73.4	Confident	83.2	Confident	40 Å²	40	58.5 Å²	58.5	21%	0.214	30%	0.303	C	S	.	.			trans	-94.3	129.2	174.1	-151.8	-46.8	0	0	0	110	R302 F349 S353 M354	R302-D351 IonicContact CZ-OD2 2.88Å; R302-D351 IonicContact NH1-OD2 2.71Å; R302-D351 PolarHBondContact NH1-OD2 2.9Å; R302-D351 IonicContact NH2-OD2 3.45Å; R302-D351 PolarHBondContact NH2-OD2 3.41Å; F349-D351 PolarHBondContact O-N 3.14Å; D351-S353 PolarHBondContact O-N 3.29Å; D351-S353 VanDerWaalsContact OD1-CB 3.32Å; D351-S353 WeakPolarHBondContact OD1-CB 3.48Å; D351-S353 PolarHBondContact OD1-N 2.95Å; D351-S353 PolarHBondContact OD1-OG 3.46Å; D351-S353 PolarHBondContact OD2-OG 3.45Å; D351-M354 HydrophobicContact CB-CB 4.26Å; D351-M354 HydrophobicContact CB-CE 3.46Å; D351-M354 VanDerWaalsContact CB-CE 3.46Å; D351-M354 HydrophobicContact CB-CG 4.02Å; D351-M354 PolarHBondContact O-N 3.04Å; D351-M354 VanDerWaalsContact O-N 3.16Å
352	H	64.8	Low	83.1	Confident	167 Å²	167	57.5 Å²	57.5	77%	0.773	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-28	170.3	-70.8	-61.3	0	0	0	112.1	M354 H355	H352-M354 PolarHBondContact O-N 2.97Å; H352-H355 PolarHBondContact O-CD2 3.4Å; H352-H355 PolarHBondContact O-CE1 3.19Å; H352-H355 VanDerWaalsContact O-CG 3.3Å; H352-H355 PolarHBondContact O-ND1 2.88Å; H352-H355 VanDerWaalsContact O-ND1 3.1Å; H352-H355 PolarHBondContact O-NE2 3.11Å
353	S	64.5	Low	82.9	Confident	81 Å²	81	56 Å²	56	57%	0.566	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-22.7	175.6	66.8	0	0	0	0	113.2	D351 H355	D351-S353 PolarHBondContact O-N 3.29Å; D351-S353 VanDerWaalsContact OD1-CB 3.32Å; D351-S353 WeakPolarHBondContact OD1-CB 3.48Å; D351-S353 PolarHBondContact OD1-N 2.95Å; D351-S353 PolarHBondContact OD1-OG 3.46Å; D351-S353 PolarHBondContact OD2-OG 3.45Å; S353-H355 PolarHBondContact O-N 3.24Å; S353-H355 VanDerWaalsContact O-N 3.12Å
354	M	69	Low	82.9	Confident	32 Å²	32	55.2 Å²	55.2	16%	0.158	28%	0.281	C	S	.	.			trans	-88.5	52.3	176.4	-66.4	-168.2	-75.5	0	0	111.9	R302 Q303 M306 D351 H352 S356 A357	R302-M354 HydrophobicContact CB-CE 3.5Å; Q303-M354 HydrophobicContact CB-SD 3.99Å; M306-M354 HydrophobicContact CE-CB 4.23Å; M306-M354 HydrophobicContact SD-CB 4.14Å; M306-M354 HydrophobicContact SD-CE 3.29Å; M306-M354 WeakPolarHBondContact SD-CE 3.45Å; M306-M354 HydrophobicContact SD-SD 4.29Å; D351-M354 HydrophobicContact CB-CB 4.26Å; D351-M354 HydrophobicContact CB-CE 3.46Å; D351-M354 VanDerWaalsContact CB-CE 3.46Å; D351-M354 HydrophobicContact CB-CG 4.02Å; D351-M354 PolarHBondContact O-N 3.04Å; D351-M354 VanDerWaalsContact O-N 3.16Å; H352-M354 PolarHBondContact O-N 2.97Å; M354-S356 PolarHBondContact O-N 2.88Å; M354-A357 HydrophobicContact CB-CB 4.4Å; M354-A357 PolarHBondContact O-N 3.31Å; M354-A357 VanDerWaalsContact O-N 3.11Å
355	H	65.8	Low	83.1	Confident	130 Å²	130	49.2 Å²	49.2	60%	0.602	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-23.3	-173.1	-68.7	-72.7	0	0	0	115.7	H352 S353	H352-H355 PolarHBondContact O-CD2 3.4Å; H352-H355 PolarHBondContact O-CE1 3.19Å; H352-H355 VanDerWaalsContact O-CG 3.3Å; H352-H355 PolarHBondContact O-ND1 2.88Å; H352-H355 VanDerWaalsContact O-ND1 3.1Å; H352-H355 PolarHBondContact O-NE2 3.11Å; S353-H355 PolarHBondContact O-N 3.24Å; S353-H355 VanDerWaalsContact O-N 3.12Å
356	S	73.8	Confident	83.4	Confident	31 Å²	31	47.7 Å²	47.7	22%	0.217	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-22.3	-176.8	55.1	0	0	0	0	115	M354 L360	M354-S356 PolarHBondContact O-N 2.88Å; S356-L360 WeakPolarHBondContact O-CB 3.42Å; S356-L360 PolarHBondContact O-N 2.89Å
357	A	86.5	Confident	83.6	Confident	2 Å²	2	46 Å²	46	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-70.3	-47.4	-166.9	0	0	0	0	0	113.1	Q303 M306 M354 G361	Q303-A357 HydrophobicContact CG-CB 4.13Å; M306-A357 HydrophobicContact CB-CB 4.08Å; M306-A357 HydrophobicContact CE-CB 4.16Å; M306-A357 HydrophobicContact SD-CB 4.34Å; M354-A357 HydrophobicContact CB-CB 4.4Å; M354-A357 PolarHBondContact O-N 3.31Å; M354-A357 VanDerWaalsContact O-N 3.11Å; A357-G361 PolarHBondContact O-N 3Å
358	L	88.3	Confident	84.1	Confident	53 Å²	53	42 Å²	42	28%	0.277	22%	0.217	S	C	.	.	H	α-helix	trans	-69.7	-48.1	-176.8	178.2	65.6	0	0	0	112.8	M306 P310 F350 L360 G361 I362	M306-L358 HydrophobicContact CE-CB 4.01Å; P310-L358 HydrophobicContact CG-CD1 3.82Å; F350-L358 HydrophobicContact CD2-CD2 4.16Å; F350-L358 HydrophobicContact CE2-CD1 4.01Å; F350-L358 HydrophobicContact CE2-CD2 4.06Å; F350-L358 HydrophobicContact CZ-CD1 4.36Å; L358-L360 VanDerWaalsContact C-N 3.33Å; L358-L360 PolarHBondContact O-N 3.33Å; L358-G361 PolarHBondContact O-N 2.98Å; L358-G361 VanDerWaalsContact O-N 3.14Å; L358-I362 HydrophobicContact CD1-CD1 4.23Å; L358-I362 HydrophobicContact CD1-CG1 4.27Å; L358-I362 HydrophobicContact CG-CD1 4.07Å; L358-I362 WeakPolarHBondContact O-CG1 3.34Å; L358-I362 PolarHBondContact O-N 3.31Å
359	P	89.5	Confident	84.7	Confident	31 Å²	31	43.2 Å²	43.2	20%	0.201	22%	0.219	C	C	.	.	H	α-helix	trans	-57.3	-44.5	174.3	-26.3	36.1	0	0	0	112.7	G361 I362 Y363 P468 W469	P359-G361 VanDerWaalsContact C-N 3.32Å; P359-G361 PolarHBondContact O-N 3.36Å; P359-I362 PolarHBondContact O-N 3.45Å; P359-Y363 WeakPolarHBondContact O-CB 3.44Å; P359-Y363 PolarHBondContact O-N 3.49Å; P359-P468 HydrophobicContact CB-CB 3.94Å; P359-P468 HydrophobicContact CG-CB 3.99Å; P359-W469 HydrophobicContact CB-CD2 4Å; P359-W469 HydrophobicContact CB-CE3 3.8Å; P359-W469 HydrophobicContact CB-CH2 4.08Å; P359-W469 HydrophobicContact CB-CZ2 4.24Å; P359-W469 HydrophobicContact CB-CZ3 3.85Å; P359-W469 WeakPolarHBondContact O-CZ3 3.47Å
360	L	90.1	Very high	85.3	Confident	23 Å²	23	42.6 Å²	42.6	12%	0.12	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-41.8	175.1	-177.7	63.3	0	0	0	111.9	L307 S356 L358 Y363 L364 F402 W469	L307-L360 HydrophobicContact CD1-CB 4.4Å; L307-L360 HydrophobicContact CD1-CD2 4.32Å; L307-L360 HydrophobicContact CD1-CG 4.12Å; S356-L360 WeakPolarHBondContact O-CB 3.42Å; S356-L360 PolarHBondContact O-N 2.89Å; L358-L360 VanDerWaalsContact C-N 3.33Å; L358-L360 PolarHBondContact O-N 3.33Å; L360-Y363 HydrophobicContact CD1-CD1 4.08Å; L360-Y363 PolarHBondContact O-N 3.19Å; L360-L364 HydrophobicContact CD1-CD1 4.45Å; L360-L364 HydrophobicContact CD1-CG 4.41Å; L360-L364 HydrophobicContact CG-CD1 4.27Å; L360-L364 WeakPolarHBondContact O-CG 3.36Å; L360-L364 PolarHBondContact O-N 3.49Å; L360-F402 HydrophobicContact CD1-CE2 4.3Å; L360-F402 HydrophobicContact CD1-CZ 4.02Å; L360-W469 VanDerWaalsContact CD1-O 3.29Å; L360-W469 WeakPolarHBondContact CD1-O 3.31Å
361	G	92.6	Very high	86	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-46.7	176	0	0	0	0	0	112.9	L307 A357 L358 P359 Y363 L364 A365	L307-G361 VanDerWaalsContact CD1-CA 3.5Å; A357-G361 PolarHBondContact O-N 3Å; L358-G361 PolarHBondContact O-N 2.98Å; L358-G361 VanDerWaalsContact O-N 3.14Å; P359-G361 VanDerWaalsContact C-N 3.32Å; P359-G361 PolarHBondContact O-N 3.36Å; G361-Y363 VanDerWaalsContact C-N 3.32Å; G361-Y363 PolarHBondContact O-N 3.06Å; G361-L364 PolarHBondContact O-N 2.95Å; G361-A365 WeakPolarHBondContact O-CB 3.24Å; G361-A365 PolarHBondContact O-N 3.31Å
362	I	92	Very high	87.1	Confident	59 Å²	59	42.9 Å²	42.9	30%	0.303	22%	0.217	S	C	.	.	H	α-helix	trans	-58	-48.1	175.9	-68.1	166.3	0	0	0	110	P310 L358 P359 A365 T366 W469	P310-I362 HydrophobicContact CB-CG1 4Å; P310-I362 HydrophobicContact CG-CG1 3.85Å; L358-I362 HydrophobicContact CD1-CD1 4.23Å; L358-I362 HydrophobicContact CD1-CG1 4.27Å; L358-I362 HydrophobicContact CG-CD1 4.07Å; L358-I362 WeakPolarHBondContact O-CG1 3.34Å; L358-I362 PolarHBondContact O-N 3.31Å; P359-I362 PolarHBondContact O-N 3.45Å; I362-A365 PolarHBondContact O-N 3.13Å; I362-T366 HydrophobicContact CG2-CG2 4.36Å; I362-T366 WeakPolarHBondContact O-CG2 3.18Å; I362-T366 PolarHBondContact O-N 3.44Å; I362-T366 PolarHBondContact O-OG1 2.89Å; I362-W469 HydrophobicContact CB-CZ3 4.46Å; I362-W469 HydrophobicContact CG2-CZ3 4.48Å
363	Y	89.3	Confident	88.6	Confident	8 Å²	8	34.9 Å²	34.9	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-60.1	-47.1	177.9	155.7	-92.1	0	0	0	113.3	P359 L360 G361 A365 T366 K367 F402 Y485 L489	P359-Y363 WeakPolarHBondContact O-CB 3.44Å; P359-Y363 PolarHBondContact O-N 3.49Å; L360-Y363 HydrophobicContact CD1-CD1 4.08Å; L360-Y363 PolarHBondContact O-N 3.19Å; G361-Y363 VanDerWaalsContact C-N 3.32Å; G361-Y363 PolarHBondContact O-N 3.06Å; Y363-A365 VanDerWaalsContact C-N 3.33Å; Y363-T366 PolarHBondContact O-OG1 2.76Å; Y363-T366 VanDerWaalsContact O-OG1 3.12Å; Y363-K367 HydrophobicContact CD1-CD 4.49Å; Y363-K367 HydrophobicContact CD2-CD 3.77Å; Y363-K367 HydrophobicContact CE1-CD 4.05Å; Y363-K367 HydrophobicContact CE2-CD 3.3Å; Y363-K367 HydrophobicContact CG-CD 4.35Å; Y363-K367 VanDerWaalsContact CZ-CD 3.41Å; Y363-K367 VanDerWaalsContact CZ-CE 3.43Å; Y363-K367 WeakPolarHBondContact O-CB 3.14Å; Y363-K367 WeakPolarHBondContact O-CD 3.45Å; Y363-K367 VanDerWaalsContact O-CG 3.27Å; Y363-K367 WeakPolarHBondContact O-CG 3.31Å; Y363-K367 PolarHBondContact O-N 2.92Å; Y363-K367 PolarHBondContact OH-NZ 3.32Å; Y363-F402 HydrophobicContact CD1-CE2 4.2Å; Y363-F402 HydrophobicContact CD1-CZ 4.47Å; Y363-F402 AromaticContact CE1-CD2 3.83Å; Y363-F402 HydrophobicContact CE1-CD2 3.83Å; Y363-F402 HydrophobicContact CE1-CE1 4.32Å; Y363-F402 AromaticContact CE1-CE2 3.28Å; Y363-F402 HydrophobicContact CE1-CE2 3.28Å; Y363-F402 AromaticContact CE1-CZ 3.58Å; Y363-F402 HydrophobicContact CE1-CZ 3.58Å; Y363-F402 AromaticContact CZ-CD2 3.62Å; Y363-F402 AromaticContact CZ-CE2 3.58Å; Y363-F402 WeakPolarHBondContact OH-CD2 3.32Å; Y363-F402 WeakPolarHBondContact OH-CE2 3.38Å; Y363-F402 VanDerWaalsContact OH-CG 3.31Å; Y363-F402 WeakPolarHBondContact OH-CG 3.43Å; Y363-Y485 VanDerWaalsContact CD2-OH 3.29Å; Y363-Y485 WeakPolarHBondContact CD2-OH 3.35Å; Y363-Y485 AromaticContact CE2-CE2 3.57Å; Y363-Y485 HydrophobicContact CE2-CE2 3.57Å; Y363-Y485 AromaticContact CE2-CZ 3.61Å; Y363-Y485 WeakPolarHBondContact CE2-OH 3.41Å; Y363-Y485 AromaticContact CZ-CE2 3.74Å; Y363-Y485 VanDerWaalsContact OH-CE2 3.31Å; Y363-Y485 WeakPolarHBondContact OH-CE2 3.49Å; Y363-L489 HydrophobicContact CE2-CD2 4.32Å
364	L	93.2	Very high	90.2	Very high	53 Å²	53	31.2 Å²	31.2	28%	0.277	15%	0.154	S	C	.	.	H	α-helix	trans	-66.7	-39.1	179.8	-73.1	177.8	0	0	0	110.8	L307 F311 L360 G361 F368 F402	L307-L364 HydrophobicContact CD1-CD1 4.15Å; F311-L364 HydrophobicContact CE2-CB 4.05Å; F311-L364 HydrophobicContact CZ-CB 3.76Å; L360-L364 HydrophobicContact CD1-CD1 4.45Å; L360-L364 HydrophobicContact CD1-CG 4.41Å; L360-L364 HydrophobicContact CG-CD1 4.27Å; L360-L364 WeakPolarHBondContact O-CG 3.36Å; L360-L364 PolarHBondContact O-N 3.49Å; G361-L364 PolarHBondContact O-N 2.95Å; L364-F368 VanDerWaalsContact O-CB 3.28Å; L364-F368 WeakPolarHBondContact O-CB 3.49Å; L364-F368 PolarHBondContact O-N 3.47Å; L364-F402 HydrophobicContact CD2-CE1 4.4Å; L364-F402 HydrophobicContact CD2-CZ 4.31Å
365	A	96.7	Very high	91.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-48.9	179.2	0	0	0	0	0	112.9	P310 F311 I314 G361 I362 Y363 K367 F368 W369	P310-A365 HydrophobicContact CB-CB 3.77Å; F311-A365 HydrophobicContact CB-CB 4.26Å; F311-A365 HydrophobicContact CD1-CB 4.14Å; F311-A365 HydrophobicContact CD2-CB 3.6Å; F311-A365 HydrophobicContact CE1-CB 4.44Å; F311-A365 HydrophobicContact CE2-CB 3.91Å; F311-A365 HydrophobicContact CG-CB 3.72Å; F311-A365 HydrophobicContact CZ-CB 4.33Å; I314-A365 HydrophobicContact CD1-CB 3.7Å; G361-A365 WeakPolarHBondContact O-CB 3.24Å; G361-A365 PolarHBondContact O-N 3.31Å; I362-A365 PolarHBondContact O-N 3.13Å; Y363-A365 VanDerWaalsContact C-N 3.33Å; A365-K367 PolarHBondContact O-N 2.76Å; A365-F368 PolarHBondContact O-N 3.35Å; A365-W369 PolarHBondContact O-N 3.04Å
366	T	94.9	Very high	92.9	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.025	17%	0.171	C	C	.	.	H	α-helix	trans	-59.3	-41.3	179.5	53.1	0	0	0	0	110.7	I314 I362 Y363 W369 M370	I314-T366 HydrophobicContact CD1-CG2 3.48Å; I314-T366 VanDerWaalsContact CD1-CG2 3.48Å; I362-T366 HydrophobicContact CG2-CG2 4.36Å; I362-T366 WeakPolarHBondContact O-CG2 3.18Å; I362-T366 PolarHBondContact O-N 3.44Å; I362-T366 PolarHBondContact O-OG1 2.89Å; Y363-T366 PolarHBondContact O-OG1 2.76Å; Y363-T366 VanDerWaalsContact O-OG1 3.12Å; T366-W369 PolarHBondContact O-N 3.01Å; T366-M370 VanDerWaalsContact O-CG 3.24Å; T366-M370 WeakPolarHBondContact O-CG 3.42Å; T366-M370 PolarHBondContact O-N 3.22Å
367	K	93.2	Very high	93.9	Very high	9 Å²	9	37.9 Å²	37.9	4%	0.039	18%	0.175	C	C	.	.	H	α-helix	trans	-68.2	-44.4	177.4	-72.9	174.9	162.1	-148.1	0	113.7	Y363 A365 W369 M370 Y371	Y363-K367 HydrophobicContact CD1-CD 4.49Å; Y363-K367 HydrophobicContact CD2-CD 3.77Å; Y363-K367 HydrophobicContact CE1-CD 4.05Å; Y363-K367 HydrophobicContact CE2-CD 3.3Å; Y363-K367 HydrophobicContact CG-CD 4.35Å; Y363-K367 VanDerWaalsContact CZ-CD 3.41Å; Y363-K367 VanDerWaalsContact CZ-CE 3.43Å; Y363-K367 WeakPolarHBondContact O-CB 3.14Å; Y363-K367 WeakPolarHBondContact O-CD 3.45Å; Y363-K367 VanDerWaalsContact O-CG 3.27Å; Y363-K367 WeakPolarHBondContact O-CG 3.31Å; Y363-K367 PolarHBondContact O-N 2.92Å; Y363-K367 PolarHBondContact OH-NZ 3.32Å; A365-K367 PolarHBondContact O-N 2.76Å; K367-W369 PolarHBondContact O-N 2.74Å; K367-M370 WeakPolarHBondContact O-CB 3.2Å; K367-M370 PolarHBondContact O-N 2.7Å; K367-M370 VanDerWaalsContact O-N 3.14Å; K367-Y371 WeakPolarHBondContact O-CD2 3.33Å; K367-Y371 PolarHBondContact O-N 3.45Å
368	F	96.9	Very high	94.3	Very high	95 Å²	95	37.9 Å²	37.9	42%	0.417	18%	0.175	S	C	.	.	H	α-helix	trans	-53	-49.8	174.5	172.5	-95.3	0	0	0	109.9	F311 L364 A365 M370 Y371 V372	F311-F368 HydrophobicContact CD1-CB 4.01Å; F311-F368 AromaticContact CD1-CD1 3.79Å; F311-F368 HydrophobicContact CD1-CD1 3.79Å; F311-F368 HydrophobicContact CD1-CE1 4.46Å; F311-F368 AromaticContact CD1-CG 3.89Å; F311-F368 HydrophobicContact CD1-CG 3.89Å; F311-F368 HydrophobicContact CE1-CB 3.48Å; F311-F368 VanDerWaalsContact CE1-CB 3.48Å; F311-F368 HydrophobicContact CE1-CD1 4.04Å; F311-F368 HydrophobicContact CE1-CD2 4.19Å; F311-F368 AromaticContact CE1-CG 3.64Å; F311-F368 HydrophobicContact CE1-CG 3.64Å; F311-F368 HydrophobicContact CZ-CB 4.43Å; L364-F368 VanDerWaalsContact O-CB 3.28Å; L364-F368 WeakPolarHBondContact O-CB 3.49Å; L364-F368 PolarHBondContact O-N 3.47Å; A365-F368 PolarHBondContact O-N 3.35Å; F368-M370 PolarHBondContact O-N 2.87Å; F368-Y371 PolarHBondContact O-N 2.99Å; F368-V372 HydrophobicContact CD1-CG2 4.23Å; F368-V372 HydrophobicContact CE1-CG2 3.81Å; F368-V372 HydrophobicContact CE2-CG2 4.2Å; F368-V372 HydrophobicContact CZ-CG2 3.79Å; F368-V372 WeakPolarHBondContact O-CG2 3.19Å; F368-V372 PolarHBondContact O-N 2.95Å
369	W	97.4	Very high	94.6	Very high	39 Å²	39	39 Å²	39	15%	0.148	18%	0.175	C	C	.	.	H	α-helix	trans	-68.6	-30.5	178	-69.1	118.9	0	0	0	113.8	F311 I314 W315 A365 T366 K367 V372 T373 W530 M534	F311-W369 PolarHBondContact O-NE1 2.99Å; I314-W369 HydrophobicContact CG2-CG 4.26Å; W315-W369 HydrophobicContact CB-CD2 4.46Å; W315-W369 HydrophobicContact CB-CH2 3.96Å; W315-W369 HydrophobicContact CB-CZ2 3.4Å; W315-W369 AromaticContact CD1-CH2 3.45Å; W315-W369 VanDerWaalsContact CD1-CH2 3.45Å; W315-W369 AromaticContact CD1-CZ2 3.85Å; W315-W369 AromaticContact CD1-CZ3 3.79Å; W315-W369 AromaticContact CG-CH2 3.76Å; W315-W369 HydrophobicContact CG-CH2 3.76Å; W315-W369 AromaticContact CG-CZ2 3.71Å; W315-W369 HydrophobicContact CG-CZ2 3.71Å; W315-W369 HydrophobicContact CG-CZ3 4.45Å; A365-W369 PolarHBondContact O-N 3.04Å; T366-W369 PolarHBondContact O-N 3.01Å; K367-W369 PolarHBondContact O-N 2.74Å; W369-V372 HydrophobicContact CE3-CB 4.05Å; W369-V372 HydrophobicContact CE3-CG1 3.96Å; W369-V372 HydrophobicContact CE3-CG2 4.31Å; W369-V372 HydrophobicContact CZ3-CB 4.44Å; W369-V372 HydrophobicContact CZ3-CG1 3.96Å; W369-V372 HydrophobicContact CZ3-CG2 4.5Å; W369-T373 WeakPolarHBondContact O-CB 3.45Å; W369-T373 PolarHBondContact O-N 3.44Å; W369-T373 PolarHBondContact O-OG1 3.48Å; W369-W530 HydrophobicContact CB-CH2 4.19Å; W369-W530 HydrophobicContact CB-CZ2 4.27Å; W369-W530 HydrophobicContact CD2-CH2 4.01Å; W369-W530 HydrophobicContact CD2-CZ2 4.44Å; W369-W530 AromaticContact CE3-CH2 3.88Å; W369-W530 HydrophobicContact CE3-CH2 3.88Å; W369-W530 AromaticContact CE3-CZ2 3.99Å; W369-W530 HydrophobicContact CE3-CZ2 3.99Å; W369-W530 HydrophobicContact CG-CH2 4.14Å; W369-M534 HydrophobicContact CB-CE 4.17Å; W369-M534 HydrophobicContact CB-SD 4.23Å
370	M	96.2	Very high	94.8	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-62.3	-44	169.8	-73	173.7	177	0	0	111.9	T366 K367 F368 T373 W374 M492 M496 M534 S538	T366-M370 VanDerWaalsContact O-CG 3.24Å; T366-M370 WeakPolarHBondContact O-CG 3.42Å; T366-M370 PolarHBondContact O-N 3.22Å; K367-M370 WeakPolarHBondContact O-CB 3.2Å; K367-M370 PolarHBondContact O-N 2.7Å; K367-M370 VanDerWaalsContact O-N 3.14Å; F368-M370 PolarHBondContact O-N 2.87Å; M370-T373 PolarHBondContact O-N 3.24Å; M370-W374 WeakPolarHBondContact O-CB 3.07Å; M370-W374 PolarHBondContact O-N 2.97Å; M370-M492 HydrophobicContact CB-CE 4.26Å; M370-M496 HydrophobicContact CB-CG 4.45Å; M370-M496 HydrophobicContact CB-SD 3.91Å; M370-M496 HydrophobicContact CE-CG 4.4Å; M370-M496 HydrophobicContact CG-CG 3.9Å; M370-M496 HydrophobicContact CG-SD 3.93Å; M370-M496 HydrophobicContact SD-CG 4.33Å; M370-M534 HydrophobicContact CB-CE 4.16Å; M370-M534 HydrophobicContact CG-CE 3.46Å; M370-M534 VanDerWaalsContact CG-CE 3.46Å; M370-S538 WeakPolarHBondContact CE-OG 3.38Å
371	Y	97	Very high	94.9	Very high	50 Å²	50	46.6 Å²	46.6	20%	0.196	21%	0.214	C	C	.	.	H	α-helix	trans	-68.5	-42.8	177.6	-79.9	-68.4	0	0	0	112.7	K367 F368 T373 W374 F375 F391 S395 F399 M492	K367-Y371 WeakPolarHBondContact O-CD2 3.33Å; K367-Y371 PolarHBondContact O-N 3.45Å; F368-Y371 PolarHBondContact O-N 2.99Å; Y371-T373 VanDerWaalsContact C-N 3.29Å; Y371-T373 PolarHBondContact O-N 3.31Å; Y371-W374 PolarHBondContact O-N 3.21Å; Y371-F375 PolarHBondContact O-N 3Å; Y371-F391 HydrophobicContact CD1-CE1 4.22Å; Y371-F391 AromaticContact CD1-CZ 3.77Å; Y371-F391 HydrophobicContact CD1-CZ 3.77Å; Y371-F391 HydrophobicContact CE1-CE1 4Å; Y371-F391 HydrophobicContact CE1-CE2 4.47Å; Y371-F391 AromaticContact CE1-CZ 3.58Å; Y371-F391 HydrophobicContact CE1-CZ 3.58Å; Y371-S395 VanDerWaalsContact CE1-OG 3.28Å; Y371-S395 WeakPolarHBondContact CE1-OG 3.37Å; Y371-S395 WeakPolarHBondContact OH-CB 3.2Å; Y371-S395 PolarHBondContact OH-OG 3.31Å; Y371-F399 HydrophobicContact CD2-CE2 4.46Å; Y371-F399 HydrophobicContact CD2-CZ 4.22Å; Y371-F399 HydrophobicContact CE1-CE2 4.41Å; Y371-F399 AromaticContact CE2-CE2 3.54Å; Y371-F399 HydrophobicContact CE2-CE2 3.54Å; Y371-F399 AromaticContact CE2-CZ 3.51Å; Y371-F399 HydrophobicContact CE2-CZ 3.51Å; Y371-F399 AromaticContact CZ-CE2 3.51Å; Y371-F399 VanDerWaalsContact OH-CE2 3.29Å; Y371-F399 WeakPolarHBondContact OH-CE2 3.27Å; Y371-M492 HydrophobicContact CD1-CE 3.95Å; Y371-M492 HydrophobicContact CD2-CE 4.2Å; Y371-M492 HydrophobicContact CE1-CE 3.57Å; Y371-M492 HydrophobicContact CE1-SD 4.19Å; Y371-M492 HydrophobicContact CE2-CE 3.83Å; Y371-M492 HydrophobicContact CG-CE 4.24Å; Y371-M492 VanDerWaalsContact CZ-CE 3.49Å
372	V	97.4	Very high	94.9	Very high	31 Å²	31	47.6 Å²	47.6	19%	0.188	22%	0.219	C	C	.	.	H	α-helix	trans	-58.3	-46.8	172.6	171.5	0	0	0	0	109.5	F368 W369 W374 F375 F376 W377	F368-V372 HydrophobicContact CD1-CG2 4.23Å; F368-V372 HydrophobicContact CE1-CG2 3.81Å; F368-V372 HydrophobicContact CE2-CG2 4.2Å; F368-V372 HydrophobicContact CZ-CG2 3.79Å; F368-V372 WeakPolarHBondContact O-CG2 3.19Å; F368-V372 PolarHBondContact O-N 2.95Å; W369-V372 HydrophobicContact CE3-CB 4.05Å; W369-V372 HydrophobicContact CE3-CG1 3.96Å; W369-V372 HydrophobicContact CE3-CG2 4.31Å; W369-V372 HydrophobicContact CZ3-CB 4.44Å; W369-V372 HydrophobicContact CZ3-CG1 3.96Å; W369-V372 HydrophobicContact CZ3-CG2 4.5Å; V372-W374 PolarHBondContact O-N 3.05Å; V372-F375 PolarHBondContact O-N 3.24Å; V372-F376 HydrophobicContact CG1-CD2 3.76Å; V372-F376 HydrophobicContact CG1-CE2 4.1Å; V372-F376 VanDerWaalsContact O-CD2 3.31Å; V372-F376 WeakPolarHBondContact O-CD2 3.36Å; V372-F376 PolarHBondContact O-N 3.41Å; V372-W377 HydrophobicContact CG1-CZ3 4.39Å
373	T	97.1	Very high	95	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-46.8	178.2	-59.4	0	0	0	0	111.5	W369 M370 Y371 F375 F376 W377 F378 M496 W530 M531 M534	W369-T373 WeakPolarHBondContact O-CB 3.45Å; W369-T373 PolarHBondContact O-N 3.44Å; W369-T373 PolarHBondContact O-OG1 3.48Å; M370-T373 PolarHBondContact O-N 3.24Å; Y371-T373 VanDerWaalsContact C-N 3.29Å; Y371-T373 PolarHBondContact O-N 3.31Å; T373-F375 VanDerWaalsContact C-N 3.31Å; T373-F375 PolarHBondContact O-N 2.91Å; T373-F376 PolarHBondContact O-N 3.39Å; T373-W377 HydrophobicContact CG2-CB 4.34Å; T373-W377 HydrophobicContact CG2-CD2 4.42Å; T373-W377 HydrophobicContact CG2-CE3 4.17Å; T373-W377 WeakPolarHBondContact O-CB 3.29Å; T373-W377 PolarHBondContact O-N 3.4Å; T373-F378 HydrophobicContact CG2-CE1 4.42Å; T373-F378 HydrophobicContact CG2-CE2 4.13Å; T373-F378 HydrophobicContact CG2-CZ 3.86Å; T373-M496 HydrophobicContact CG2-CE 3.51Å; T373-W530 PolarHBondContact OG1-NE1 2.95Å; T373-M531 HydrophobicContact CG2-CE 3.26Å; T373-M531 HydrophobicContact CG2-SD 3.83Å; T373-M534 HydrophobicContact CG2-CG 4.46Å
374	W	97.3	Very high	95.1	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.015	25%	0.248	C	C	.	.	I	π-helix	trans	-56.6	-45.9	178	-169	-81.6	0	0	0	112.5	M370 Y371 V372 F378 W379 I387 H388 F391 W495	M370-W374 WeakPolarHBondContact O-CB 3.07Å; M370-W374 PolarHBondContact O-N 2.97Å; Y371-W374 PolarHBondContact O-N 3.21Å; V372-W374 PolarHBondContact O-N 3.05Å; W374-F378 HydrophobicContact CB-CD2 4.33Å; W374-F378 AromaticContact CD2-CD2 3.98Å; W374-F378 HydrophobicContact CD2-CD2 3.98Å; W374-F378 AromaticContact CE3-CD2 3.57Å; W374-F378 HydrophobicContact CE3-CD2 3.57Å; W374-F378 HydrophobicContact CE3-CE2 4.08Å; W374-F378 HydrophobicContact CG-CD2 4.33Å; W374-F378 HydrophobicContact CZ3-CD2 4.09Å; W374-F378 WeakPolarHBondContact O-CB 3.38Å; W374-F378 PolarHBondContact O-N 2.96Å; W374-W379 PolarHBondContact O-N 3.03Å; W374-W379 VanDerWaalsContact O-N 3.16Å; W374-I387 HydrophobicContact CH2-CG2 4Å; W374-I387 HydrophobicContact CZ2-CG2 3.8Å; W374-H388 AromaticContact CE2-ND1 3.9Å; W374-H388 AromaticContact CZ2-ND1 3.92Å; W374-H388 AromaticContact NE1-CE1 3.81Å; W374-H388 AromaticContact NE1-ND1 3.35Å; W374-H388 PolarHBondContact NE1-ND1 3.29Å; W374-F391 HydrophobicContact CB-CZ 4.03Å; W374-F391 AromaticContact CD1-CD1 3.92Å; W374-F391 AromaticContact CD1-CE1 3.45Å; W374-F391 VanDerWaalsContact CD1-CE1 3.45Å; W374-F391 AromaticContact CD1-CZ 3.71Å; W374-F391 HydrophobicContact CD2-CD1 4.17Å; W374-F391 AromaticContact CD2-CD2 3.79Å; W374-F391 HydrophobicContact CD2-CD2 3.79Å; W374-F391 AromaticContact CD2-CE1 3.86Å; W374-F391 HydrophobicContact CD2-CE1 3.86Å; W374-F391 AromaticContact CD2-CE2 3.42Å; W374-F391 HydrophobicContact CD2-CE2 3.42Å; W374-F391 VanDerWaalsContact CD2-CE2 3.42Å; W374-F391 HydrophobicContact CD2-CG 4.13Å; W374-F391 AromaticContact CD2-CZ 3.45Å; W374-F391 HydrophobicContact CD2-CZ 3.45Å; W374-F391 VanDerWaalsContact CD2-CZ 3.45Å; W374-F391 AromaticContact CE2-CD1 3.55Å; W374-F391 AromaticContact CE2-CD2 3.56Å; W374-F391 AromaticContact CE2-CE1 3.7Å; W374-F391 AromaticContact CE2-CE2 3.68Å; W374-F391 AromaticContact CE2-CG 3.47Å; W374-F391 VanDerWaalsContact CE2-CG 3.47Å; W374-F391 AromaticContact CE2-CZ 3.75Å; W374-F391 AromaticContact CE3-CD2 3.9Å; W374-F391 HydrophobicContact CE3-CD2 3.9Å; W374-F391 AromaticContact CE3-CE2 3.51Å; W374-F391 HydrophobicContact CE3-CE2 3.51Å; W374-F391 AromaticContact CE3-CZ 3.99Å; W374-F391 HydrophobicContact CE3-CZ 3.99Å; W374-F391 HydrophobicContact CG-CD1 4.37Å; W374-F391 AromaticContact CG-CE1 3.71Å; W374-F391 HydrophobicContact CG-CE1 3.71Å; W374-F391 AromaticContact CG-CE2 3.95Å; W374-F391 HydrophobicContact CG-CE2 3.95Å; W374-F391 AromaticContact CG-CZ 3.44Å; W374-F391 HydrophobicContact CG-CZ 3.44Å; W374-F391 VanDerWaalsContact CG-CZ 3.44Å; W374-F391 HydrophobicContact CH2-CB 4.21Å; W374-F391 AromaticContact CH2-CD2 3.6Å; W374-F391 HydrophobicContact CH2-CD2 3.6Å; W374-F391 HydrophobicContact CH2-CE2 4.12Å; W374-F391 AromaticContact CH2-CG 4Å; W374-F391 HydrophobicContact CH2-CG 4Å; W374-F391 HydrophobicContact CZ2-CB 3.59Å; W374-F391 AromaticContact CZ2-CD1 3.93Å; W374-F391 HydrophobicContact CZ2-CD1 3.93Å; W374-F391 AromaticContact CZ2-CD2 3.45Å; W374-F391 HydrophobicContact CZ2-CD2 3.45Å; W374-F391 VanDerWaalsContact CZ2-CD2 3.45Å; W374-F391 HydrophobicContact CZ2-CE1 4.46Å; W374-F391 HydrophobicContact CZ2-CE2 4.01Å; W374-F391 AromaticContact CZ2-CG 3.37Å; W374-F391 HydrophobicContact CZ2-CG 3.37Å; W374-F391 HydrophobicContact CZ2-CZ 4.48Å; W374-F391 AromaticContact CZ3-CD2 3.83Å; W374-F391 HydrophobicContact CZ3-CD2 3.83Å; W374-F391 AromaticContact CZ3-CE2 3.9Å; W374-F391 HydrophobicContact CZ3-CE2 3.9Å; W374-F391 AromaticContact NE1-CD1 3.38Å; W374-F391 AromaticContact NE1-CE1 3.42Å; W374-F391 AromaticContact NE1-CG 3.81Å; W374-F391 AromaticContact NE1-CZ 3.86Å; W374-W495 HydrophobicContact CH2-CB 3.86Å; W374-W495 HydrophobicContact CH2-CD2 4.35Å; W374-W495 AromaticContact CH2-CE3 3.99Å; W374-W495 HydrophobicContact CH2-CE3 3.99Å; W374-W495 HydrophobicContact CH2-CG 4.35Å; W374-W495 HydrophobicContact CZ3-CB 3.74Å; W374-W495 WeakPolarHBondContact CZ3-O 3.33Å
375	F	95.8	Very high	95.1	Very high	115 Å²	115	56.1 Å²	56.1	50%	0.504	26%	0.261	S	S	.	.	I	π-helix	trans	-71.5	-39.7	-176.8	-173	-100	0	0	0	113.2	Y371 V372 T373 W379	Y371-F375 PolarHBondContact O-N 3Å; V372-F375 PolarHBondContact O-N 3.24Å; T373-F375 VanDerWaalsContact C-N 3.31Å; T373-F375 PolarHBondContact O-N 2.91Å; F375-W379 HydrophobicContact CD2-CD2 4.19Å; F375-W379 HydrophobicContact CD2-CE3 4.21Å; F375-W379 HydrophobicContact CD2-CG 4.47Å; F375-W379 HydrophobicContact CE2-CD2 4.43Å; F375-W379 WeakPolarHBondContact O-CB 3.42Å
376	F	95.2	Very high	95	Very high	139 Å²	139	63.1 Å²	63.1	61%	0.61	29%	0.292	S	S	*	.	I	π-helix	trans	-92	-28.1	-174.6	-73.9	-74.9	0	0	0	114.3	V372 T373	V372-F376 HydrophobicContact CG1-CD2 3.76Å; V372-F376 HydrophobicContact CG1-CE2 4.1Å; V372-F376 VanDerWaalsContact O-CD2 3.31Å; V372-F376 WeakPolarHBondContact O-CD2 3.36Å; V372-F376 PolarHBondContact O-N 3.41Å; T373-F376 PolarHBondContact O-N 3.39Å
377	W	95	Very high	95.1	Very high	78 Å²	78	63.7 Å²	63.7	30%	0.295	29%	0.294	S	S	.	.	I	π-helix	trans	-108	-25.5	-175.9	-74	-100.6	0	0	0	114.3	V372 T373 Y503 W530 M531	V372-W377 HydrophobicContact CG1-CZ3 4.39Å; T373-W377 HydrophobicContact CG2-CB 4.34Å; T373-W377 HydrophobicContact CG2-CD2 4.42Å; T373-W377 HydrophobicContact CG2-CE3 4.17Å; T373-W377 WeakPolarHBondContact O-CB 3.29Å; T373-W377 PolarHBondContact O-N 3.4Å; W377-Y503 HydrophobicContact CB-CD2 4.29Å; W377-Y503 HydrophobicContact CB-CE2 4.31Å; W377-Y503 AromaticContact CD1-CE2 3.67Å; W377-Y503 HydrophobicContact CG-CE2 4.41Å; W377-W530 AromaticContact CE2-CD1 3.65Å; W377-W530 AromaticContact CH2-CD1 3.84Å; W377-W530 AromaticContact CH2-NE1 3.64Å; W377-W530 AromaticContact CZ2-CD1 3.48Å; W377-W530 VanDerWaalsContact CZ2-CD1 3.48Å; W377-W530 HydrophobicContact CZ2-CG 4.37Å; W377-W530 AromaticContact CZ2-NE1 3.8Å; W377-W530 AromaticContact CZ3-NE1 3.83Å; W377-M531 HydrophobicContact CB-CE 4.24Å; W377-M531 HydrophobicContact CB-SD 4.34Å; W377-M531 HydrophobicContact CD2-CE 4Å; W377-M531 HydrophobicContact CG-CE 3.77Å; W377-M531 HydrophobicContact CG-SD 4.39Å
378	F	95.8	Very high	95.2	Very high	3 Å²	3	63.3 Å²	63.3	1%	0.013	29%	0.293	C	S	.	.	I	π-helix	trans	-111.7	-19.8	-174.1	-52.1	-27.6	0	0	0	113.7	T373 W374 N380 D381 L382 M496 G499 Y503 M531	T373-F378 HydrophobicContact CG2-CE1 4.42Å; T373-F378 HydrophobicContact CG2-CE2 4.13Å; T373-F378 HydrophobicContact CG2-CZ 3.86Å; W374-F378 HydrophobicContact CB-CD2 4.33Å; W374-F378 AromaticContact CD2-CD2 3.98Å; W374-F378 HydrophobicContact CD2-CD2 3.98Å; W374-F378 AromaticContact CE3-CD2 3.57Å; W374-F378 HydrophobicContact CE3-CD2 3.57Å; W374-F378 HydrophobicContact CE3-CE2 4.08Å; W374-F378 HydrophobicContact CG-CD2 4.33Å; W374-F378 HydrophobicContact CZ3-CD2 4.09Å; W374-F378 WeakPolarHBondContact O-CB 3.38Å; W374-F378 PolarHBondContact O-N 2.96Å; F378-N380 VanDerWaalsContact C-N 3.34Å; F378-N380 PolarHBondContact O-N 3.49Å; F378-D381 PolarHBondContact O-N 3.46Å; F378-L382 HydrophobicContact CB-CD1 3.8Å; F378-L382 HydrophobicContact CB-CG 4.32Å; F378-L382 HydrophobicContact CG-CD1 4.45Å; F378-L382 WeakPolarHBondContact O-CG 3.32Å; F378-L382 PolarHBondContact O-N 3.34Å; F378-M496 HydrophobicContact CE2-CE 3.47Å; F378-M496 VanDerWaalsContact CE2-CE 3.47Å; F378-M496 HydrophobicContact CE2-SD 3.96Å; F378-M496 HydrophobicContact CZ-CE 3.61Å; F378-G499 WeakPolarHBondContact CE1-O 3.35Å; F378-Y503 HydrophobicContact CD1-CD2 4.42Å; F378-Y503 HydrophobicContact CE1-CD2 4.33Å; F378-Y503 HydrophobicContact CE1-CG 4.34Å; F378-M531 HydrophobicContact CE1-SD 3.51Å; F378-M531 VanDerWaalsContact CE1-SD 3.51Å; F378-M531 HydrophobicContact CZ-SD 3.67Å
379	W	94	Very high	95.2	Very high	77 Å²	77	63.1 Å²	63.1	29%	0.292	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-34.1	-168.3	-167.7	-91.7	0	0	0	114.6	W374 F375 F384 H388 L392	W374-W379 PolarHBondContact O-N 3.03Å; W374-W379 VanDerWaalsContact O-N 3.16Å; F375-W379 HydrophobicContact CD2-CD2 4.19Å; F375-W379 HydrophobicContact CD2-CE3 4.21Å; F375-W379 HydrophobicContact CD2-CG 4.47Å; F375-W379 HydrophobicContact CE2-CD2 4.43Å; F375-W379 WeakPolarHBondContact O-CB 3.42Å; W379-F384 HydrophobicContact CH2-CE2 4.38Å; W379-F384 HydrophobicContact CZ2-CD2 4.49Å; W379-F384 HydrophobicContact CZ2-CE2 4.17Å; W379-H388 HydrophobicContact CZ3-CB 4.37Å; W379-H388 PolarHBondContact O-NE2 2.93Å; W379-H388 VanDerWaalsContact O-NE2 3.1Å; W379-L392 HydrophobicContact CH2-CD1 4.33Å
380	N	93.3	Very high	95.2	Very high	144 Å²	144	63.5 Å²	63.5	77%	0.77	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-20.4	-177.9	-65.4	-31.5	0	0	0	113	F378	F378-N380 VanDerWaalsContact C-N 3.34Å; F378-N380 PolarHBondContact O-N 3.49Å
381	D	92.5	Very high	95.2	Very high	68 Å²	68	63.6 Å²	63.6	36%	0.364	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-26.2	-171.8	-63.8	-31.8	0	0	0	113.1	F378 L506 H507	F378-D381 PolarHBondContact O-N 3.46Å; D381-L506 HydrophobicContact CB-CD1 3.73Å; D381-H507 IonicContact OD1-CE1 3.11Å; D381-H507 IonicContact OD1-NE2 2.71Å; D381-H507 IonicContact OD2-CD2 2.97Å; D381-H507 IonicContact OD2-CE1 3.15Å; D381-H507 IonicContact OD2-NE2 2.65Å; D381-H507 PolarHBondContact OD2-NE2 3.5Å
382	L	93.5	Very high	95.2	Very high	21 Å²	21	64.8 Å²	64.8	11%	0.11	31%	0.312	C	S	.	.	S	Bend	trans	-99.1	150	-172.5	-60.1	-175.3	0	0	0	112.2	F378 F384 I387 H388 Y498	F378-L382 HydrophobicContact CB-CD1 3.8Å; F378-L382 HydrophobicContact CB-CG 4.32Å; F378-L382 HydrophobicContact CG-CD1 4.45Å; F378-L382 WeakPolarHBondContact O-CG 3.32Å; F378-L382 PolarHBondContact O-N 3.34Å; L382-F384 PolarHBondContact O-N 3.07Å; L382-I387 HydrophobicContact CB-CB 4.4Å; L382-I387 HydrophobicContact CB-CD1 3.85Å; L382-I387 HydrophobicContact CB-CG2 4.2Å; L382-I387 HydrophobicContact CD1-CG2 3.94Å; L382-I387 HydrophobicContact CD2-CD1 4.17Å; L382-I387 HydrophobicContact CG-CD1 4.4Å; L382-H388 PolarHBondContact O-NE2 2.97Å; L382-Y498 HydrophobicContact CD1-CE1 4.35Å
383	N	93	Very high	95.3	Very high	82 Å²	82	66.1 Å²	66.1	44%	0.439	33%	0.327	S	S	.	.			trans	-68	124	-179.6	-174.7	-74.2	0	0	0	111.9	L385 F386 I387 H388	N383-L385 PolarHBondContact O-N 3.32Å; N383-L385 PolarHBondContact OD1-N 3.47Å; N383-F386 VanDerWaalsContact OD1-CD2 3.23Å; N383-F386 WeakPolarHBondContact OD1-CD2 3.45Å; N383-F386 PolarHBondContact OD1-N 2.96Å; N383-F386 VanDerWaalsContact OD1-N 3.07Å; N383-I387 HydrophobicContact CB-CD1 4.36Å; N383-I387 VanDerWaalsContact O-CB 3.31Å; N383-I387 WeakPolarHBondContact O-CB 3.34Å; N383-I387 PolarHBondContact O-N 2.94Å; N383-H388 PolarHBondContact O-N 3.48Å
384	F	92.5	Very high	95.3	Very high	114 Å²	114	66.8 Å²	66.8	50%	0.5	33%	0.33	S	S	.	.	I	π-helix	trans	-59	-50.4	-178	-175.8	-90.6	0	0	0	114.1	W379 L382 H388 L389	W379-F384 HydrophobicContact CH2-CE2 4.38Å; W379-F384 HydrophobicContact CZ2-CD2 4.49Å; W379-F384 HydrophobicContact CZ2-CE2 4.17Å; L382-F384 PolarHBondContact O-N 3.07Å; F384-H388 HydrophobicContact CD2-CB 3.87Å; F384-H388 AromaticContact CD2-CD2 3.95Å; F384-H388 HydrophobicContact CE2-CB 4.26Å; F384-H388 HydrophobicContact CG-CB 4.37Å; F384-H388 WeakPolarHBondContact O-CB 3.32Å; F384-H388 PolarHBondContact O-N 3.47Å; F384-H388 VanDerWaalsContact O-N 3.13Å; F384-L389 PolarHBondContact O-N 3.15Å
385	L	93.4	Very high	95.3	Very high	103 Å²	103	67 Å²	67	54%	0.539	33%	0.332	S	S	.	.	I	π-helix	trans	-67.6	-42.1	-173.3	-178.8	63.4	0	0	0	111.9	N383 P390	N383-L385 PolarHBondContact O-N 3.32Å; N383-L385 PolarHBondContact OD1-N 3.47Å; L385-P390 WeakPolarHBondContact O-CD 3.28Å
386	F	94.3	Very high	95.5	Very high	148 Å²	148	66.6 Å²	66.6	65%	0.649	34%	0.339	S	S	*	.	I	π-helix	trans	-91.2	-20.7	-172.7	-62.8	-67.7	0	0	0	114.1	N383 P390	N383-F386 VanDerWaalsContact OD1-CD2 3.23Å; N383-F386 WeakPolarHBondContact OD1-CD2 3.45Å; N383-F386 PolarHBondContact OD1-N 2.96Å; N383-F386 VanDerWaalsContact OD1-N 3.07Å; F386-P390 WeakPolarHBondContact O-CG 3.28Å
387	I	95.9	Very high	95.6	Very high	15 Å²	15	61 Å²	61	8%	0.077	32%	0.319	C	S	.	.	I	π-helix	trans	-119.9	-56.3	-175.3	-61.6	160.2	0	0	0	111	W374 L382 N383 F391 W495 Y498	W374-I387 HydrophobicContact CH2-CG2 4Å; W374-I387 HydrophobicContact CZ2-CG2 3.8Å; L382-I387 HydrophobicContact CB-CB 4.4Å; L382-I387 HydrophobicContact CB-CD1 3.85Å; L382-I387 HydrophobicContact CB-CG2 4.2Å; L382-I387 HydrophobicContact CD1-CG2 3.94Å; L382-I387 HydrophobicContact CD2-CD1 4.17Å; L382-I387 HydrophobicContact CG-CD1 4.4Å; N383-I387 HydrophobicContact CB-CD1 4.36Å; N383-I387 VanDerWaalsContact O-CB 3.31Å; N383-I387 WeakPolarHBondContact O-CB 3.34Å; N383-I387 PolarHBondContact O-N 2.94Å; I387-F391 WeakPolarHBondContact O-CB 3.43Å; I387-F391 PolarHBondContact O-N 3.36Å; I387-W495 HydrophobicContact CB-CZ3 4.48Å; I387-W495 HydrophobicContact CG2-CE3 4.29Å; I387-W495 HydrophobicContact CG2-CZ3 3.94Å; I387-Y498 HydrophobicContact CD1-CE1 3.76Å; I387-Y498 WeakPolarHBondContact CD1-OH 3.35Å; I387-Y498 HydrophobicContact CG1-CE1 4.06Å; I387-Y498 HydrophobicContact CG2-CE1 4.19Å
388	H	95.5	Very high	95.8	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.009	31%	0.305	C	S	.	.	I	π-helix	trans	-68	-41.3	-175.2	-62.3	-35.8	0	0	0	113.1	W374 W379 L382 N383 F384 F391 L392	W374-H388 AromaticContact CE2-ND1 3.9Å; W374-H388 AromaticContact CZ2-ND1 3.92Å; W374-H388 AromaticContact NE1-CE1 3.81Å; W374-H388 AromaticContact NE1-ND1 3.35Å; W374-H388 PolarHBondContact NE1-ND1 3.29Å; W379-H388 HydrophobicContact CZ3-CB 4.37Å; W379-H388 PolarHBondContact O-NE2 2.93Å; W379-H388 VanDerWaalsContact O-NE2 3.1Å; L382-H388 PolarHBondContact O-NE2 2.97Å; N383-H388 PolarHBondContact O-N 3.48Å; F384-H388 HydrophobicContact CD2-CB 3.87Å; F384-H388 AromaticContact CD2-CD2 3.95Å; F384-H388 HydrophobicContact CE2-CB 4.26Å; F384-H388 HydrophobicContact CG-CB 4.37Å; F384-H388 WeakPolarHBondContact O-CB 3.32Å; F384-H388 PolarHBondContact O-N 3.47Å; F384-H388 VanDerWaalsContact O-N 3.13Å; H388-F391 PolarHBondContact O-N 3.5Å; H388-L392 WeakPolarHBondContact O-CB 3.04Å; H388-L392 WeakPolarHBondContact O-CG 3.31Å; H388-L392 PolarHBondContact O-N 3.4Å
389	L	96.4	Very high	95.9	Very high	91 Å²	91	62.3 Å²	62.3	48%	0.476	33%	0.327	S	S	.	.	H	α-helix	trans	-64.7	-48.2	180	-176.5	146.5	0	0	0	112.4	F384 F391 L392 A393	F384-L389 PolarHBondContact O-N 3.15Å; L389-F391 PolarHBondContact O-N 3.39Å; L389-L392 PolarHBondContact O-N 3.33Å; L389-A393 WeakPolarHBondContact O-CB 3.24Å; L389-A393 PolarHBondContact O-N 2.96Å
390	P	97.5	Very high	96.1	Very high	46 Å²	46	64.7 Å²	64.7	30%	0.299	34%	0.337	S	S	.	.	H	α-helix	trans	-62.3	-38.1	171.5	-27.8	37.9	0	0	0	114.1	L385 F386 A393 N394 W495	L385-P390 WeakPolarHBondContact O-CD 3.28Å; F386-P390 WeakPolarHBondContact O-CG 3.28Å; P390-A393 PolarHBondContact O-N 3.48Å; P390-N394 WeakPolarHBondContact O-CB 3.44Å; P390-N394 PolarHBondContact O-N 2.89Å; P390-W495 HydrophobicContact CB-CH2 4.1Å; P390-W495 HydrophobicContact CB-CZ2 3.68Å
391	F	97.3	Very high	96.3	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-59.3	-50.6	173.8	168.4	-95.7	0	0	0	111.3	Y371 W374 I387 H388 L389 A393 N394 S395 M492 W495	Y371-F391 HydrophobicContact CD1-CE1 4.22Å; Y371-F391 AromaticContact CD1-CZ 3.77Å; Y371-F391 HydrophobicContact CD1-CZ 3.77Å; Y371-F391 HydrophobicContact CE1-CE1 4Å; Y371-F391 HydrophobicContact CE1-CE2 4.47Å; Y371-F391 AromaticContact CE1-CZ 3.58Å; Y371-F391 HydrophobicContact CE1-CZ 3.58Å; W374-F391 HydrophobicContact CB-CZ 4.03Å; W374-F391 AromaticContact CD1-CD1 3.92Å; W374-F391 AromaticContact CD1-CE1 3.45Å; W374-F391 VanDerWaalsContact CD1-CE1 3.45Å; W374-F391 AromaticContact CD1-CZ 3.71Å; W374-F391 HydrophobicContact CD2-CD1 4.17Å; W374-F391 AromaticContact CD2-CD2 3.79Å; W374-F391 HydrophobicContact CD2-CD2 3.79Å; W374-F391 AromaticContact CD2-CE1 3.86Å; W374-F391 HydrophobicContact CD2-CE1 3.86Å; W374-F391 AromaticContact CD2-CE2 3.42Å; W374-F391 HydrophobicContact CD2-CE2 3.42Å; W374-F391 VanDerWaalsContact CD2-CE2 3.42Å; W374-F391 HydrophobicContact CD2-CG 4.13Å; W374-F391 AromaticContact CD2-CZ 3.45Å; W374-F391 HydrophobicContact CD2-CZ 3.45Å; W374-F391 VanDerWaalsContact CD2-CZ 3.45Å; W374-F391 AromaticContact CE2-CD1 3.55Å; W374-F391 AromaticContact CE2-CD2 3.56Å; W374-F391 AromaticContact CE2-CE1 3.7Å; W374-F391 AromaticContact CE2-CE2 3.68Å; W374-F391 AromaticContact CE2-CG 3.47Å; W374-F391 VanDerWaalsContact CE2-CG 3.47Å; W374-F391 AromaticContact CE2-CZ 3.75Å; W374-F391 AromaticContact CE3-CD2 3.9Å; W374-F391 HydrophobicContact CE3-CD2 3.9Å; W374-F391 AromaticContact CE3-CE2 3.51Å; W374-F391 HydrophobicContact CE3-CE2 3.51Å; W374-F391 AromaticContact CE3-CZ 3.99Å; W374-F391 HydrophobicContact CE3-CZ 3.99Å; W374-F391 HydrophobicContact CG-CD1 4.37Å; W374-F391 AromaticContact CG-CE1 3.71Å; W374-F391 HydrophobicContact CG-CE1 3.71Å; W374-F391 AromaticContact CG-CE2 3.95Å; W374-F391 HydrophobicContact CG-CE2 3.95Å; W374-F391 AromaticContact CG-CZ 3.44Å; W374-F391 HydrophobicContact CG-CZ 3.44Å; W374-F391 VanDerWaalsContact CG-CZ 3.44Å; W374-F391 HydrophobicContact CH2-CB 4.21Å; W374-F391 AromaticContact CH2-CD2 3.6Å; W374-F391 HydrophobicContact CH2-CD2 3.6Å; W374-F391 HydrophobicContact CH2-CE2 4.12Å; W374-F391 AromaticContact CH2-CG 4Å; W374-F391 HydrophobicContact CH2-CG 4Å; W374-F391 HydrophobicContact CZ2-CB 3.59Å; W374-F391 AromaticContact CZ2-CD1 3.93Å; W374-F391 HydrophobicContact CZ2-CD1 3.93Å; W374-F391 AromaticContact CZ2-CD2 3.45Å; W374-F391 HydrophobicContact CZ2-CD2 3.45Å; W374-F391 VanDerWaalsContact CZ2-CD2 3.45Å; W374-F391 HydrophobicContact CZ2-CE1 4.46Å; W374-F391 HydrophobicContact CZ2-CE2 4.01Å; W374-F391 AromaticContact CZ2-CG 3.37Å; W374-F391 HydrophobicContact CZ2-CG 3.37Å; W374-F391 HydrophobicContact CZ2-CZ 4.48Å; W374-F391 AromaticContact CZ3-CD2 3.83Å; W374-F391 HydrophobicContact CZ3-CD2 3.83Å; W374-F391 AromaticContact CZ3-CE2 3.9Å; W374-F391 HydrophobicContact CZ3-CE2 3.9Å; W374-F391 AromaticContact NE1-CD1 3.38Å; W374-F391 AromaticContact NE1-CE1 3.42Å; W374-F391 AromaticContact NE1-CG 3.81Å; W374-F391 AromaticContact NE1-CZ 3.86Å; I387-F391 WeakPolarHBondContact O-CB 3.43Å; I387-F391 PolarHBondContact O-N 3.36Å; H388-F391 PolarHBondContact O-N 3.5Å; L389-F391 PolarHBondContact O-N 3.39Å; F391-A393 VanDerWaalsContact C-N 3.35Å; F391-A393 PolarHBondContact O-N 3.3Å; F391-N394 CarbonylContact O-C 3.56Å; F391-N394 WeakPolarHBondContact O-CB 3.46Å; F391-N394 PolarHBondContact O-N 2.89Å; F391-S395 PolarHBondContact O-N 3.44Å; F391-S395 PolarHBondContact O-OG 3.47Å; F391-M492 HydrophobicContact CD2-SD 4.13Å; F391-M492 HydrophobicContact CE2-CE 3.47Å; F391-M492 VanDerWaalsContact CE2-CE 3.47Å; F391-M492 HydrophobicContact CE2-SD 3.39Å; F391-M492 WeakPolarHBondContact CE2-SD 3.41Å; F391-M492 HydrophobicContact CZ-CE 3.68Å; F391-M492 HydrophobicContact CZ-SD 4Å; F391-W495 HydrophobicContact CB-CD2 4.41Å; F391-W495 HydrophobicContact CD2-CB 3.85Å; F391-W495 AromaticContact CD2-CG 3.93Å; F391-W495 HydrophobicContact CD2-CG 3.93Å; F391-W495 HydrophobicContact CE2-CB 4.38Å
392	L	97	Very high	96.5	Very high	75 Å²	75	56 Å²	56	39%	0.393	29%	0.29	S	S	.	.	H	α-helix	trans	-62.1	-41.4	178.9	-71.6	170.9	0	0	0	111.7	W379 H388 L389 N394 S395 V396	W379-L392 HydrophobicContact CH2-CD1 4.33Å; H388-L392 WeakPolarHBondContact O-CB 3.04Å; H388-L392 WeakPolarHBondContact O-CG 3.31Å; H388-L392 PolarHBondContact O-N 3.4Å; L389-L392 PolarHBondContact O-N 3.33Å; L392-N394 PolarHBondContact O-N 3.4Å; L392-S395 WeakPolarHBondContact O-CB 3.29Å; L392-S395 PolarHBondContact O-N 3.49Å; L392-V396 WeakPolarHBondContact O-CG2 3.3Å; L392-V396 PolarHBondContact O-N 2.87Å
393	A	98.1	Very high	96.7	Very high	60 Å²	60	56.1 Å²	56.1	50%	0.496	30%	0.296	S	S	.	.	H	α-helix	trans	-60.4	-45	174.7	0	0	0	0	0	111.6	L389 P390 F391 V396 A397	L389-A393 WeakPolarHBondContact O-CB 3.24Å; L389-A393 PolarHBondContact O-N 2.96Å; P390-A393 PolarHBondContact O-N 3.48Å; F391-A393 VanDerWaalsContact C-N 3.35Å; F391-A393 PolarHBondContact O-N 3.3Å; A393-V396 PolarHBondContact O-N 2.95Å; A393-A397 PolarHBondContact O-N 3.45Å; A393-A397 VanDerWaalsContact O-N 3.1Å
394	N	98.5	Very high	97	Very high	13 Å²	13	55.6 Å²	55.6	7%	0.07	29%	0.29	C	S	.	.	H	α-helix	trans	-61.7	-41.4	173.5	177.2	75.9	0	0	0	112	P390 F391 L392 A397 L398 F488 F491 M492	P390-N394 WeakPolarHBondContact O-CB 3.44Å; P390-N394 PolarHBondContact O-N 2.89Å; F391-N394 CarbonylContact O-C 3.56Å; F391-N394 WeakPolarHBondContact O-CB 3.46Å; F391-N394 PolarHBondContact O-N 2.89Å; L392-N394 PolarHBondContact O-N 3.4Å; N394-A397 PolarHBondContact O-N 3.1Å; N394-L398 VanDerWaalsContact O-CB 3.3Å; N394-L398 WeakPolarHBondContact O-CB 3.35Å; N394-L398 PolarHBondContact O-N 3.22Å; N394-F488 PolarHBondContact ND2-O 3.3Å; N394-F488 WeakPolarHBondContact OD1-CD1 3.4Å; N394-F488 PolarHBondContact OD1-O 3Å; N394-F491 VanDerWaalsContact OD1-CB 3.24Å; N394-F491 WeakPolarHBondContact OD1-CB 3.35Å; N394-M492 WeakPolarHBondContact ND2-CA 3.43Å; N394-M492 PolarHBondContact ND2-N 3.36Å
395	S	97.9	Very high	97.2	Very high	8 Å²	8	50.2 Å²	50.2	6%	0.056	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-45.5	177.6	-64.1	0	0	0	0	112.4	Y371 F391 L392 A397 L398 F399	Y371-S395 VanDerWaalsContact CE1-OG 3.28Å; Y371-S395 WeakPolarHBondContact CE1-OG 3.37Å; Y371-S395 WeakPolarHBondContact OH-CB 3.2Å; Y371-S395 PolarHBondContact OH-OG 3.31Å; F391-S395 PolarHBondContact O-N 3.44Å; F391-S395 PolarHBondContact O-OG 3.47Å; L392-S395 WeakPolarHBondContact O-CB 3.29Å; L392-S395 PolarHBondContact O-N 3.49Å; S395-A397 VanDerWaalsContact C-N 3.35Å; S395-A397 PolarHBondContact O-N 3.41Å; S395-L398 PolarHBondContact O-N 3.49Å; S395-F399 WeakPolarHBondContact O-CD2 3.25Å; S395-F399 PolarHBondContact O-N 2.97Å
396	V	98.3	Very high	97.3	Very high	107 Å²	107	50.9 Å²	50.9	65%	0.648	26%	0.261	S	S	*	.	H	α-helix	trans	-60	-46.7	175.4	171.9	0	0	0	0	110.4	L392 A393 L398 F399 Y400	L392-V396 WeakPolarHBondContact O-CG2 3.3Å; L392-V396 PolarHBondContact O-N 2.87Å; A393-V396 PolarHBondContact O-N 2.95Å; V396-L398 PolarHBondContact O-N 3.07Å; V396-F399 PolarHBondContact O-N 3.35Å; V396-Y400 WeakPolarHBondContact O-CB 3.45Å; V396-Y400 PolarHBondContact O-N 3.28Å
397	A	98.6	Very high	97.4	Very high	23 Å²	23	51.3 Å²	51.3	19%	0.19	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-41	177.6	0	0	0	0	0	112.3	A393 N394 S395 N401 F488	A393-A397 PolarHBondContact O-N 3.45Å; A393-A397 VanDerWaalsContact O-N 3.1Å; N394-A397 PolarHBondContact O-N 3.1Å; S395-A397 VanDerWaalsContact C-N 3.35Å; S395-A397 PolarHBondContact O-N 3.41Å; A397-N401 WeakPolarHBondContact O-CB 3.43Å; A397-N401 PolarHBondContact O-N 3.48Å; A397-N401 PolarHBondContact O-ND2 3.48Å; A397-F488 HydrophobicContact CB-CD1 3.77Å; A397-F488 HydrophobicContact CB-CD2 3.77Å; A397-F488 HydrophobicContact CB-CE1 3.72Å; A397-F488 HydrophobicContact CB-CE2 3.76Å; A397-F488 HydrophobicContact CB-CG 3.8Å; A397-F488 HydrophobicContact CB-CZ 3.73Å
398	L	98.2	Very high	97.4	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-51.5	175.9	173.6	55.9	0	0	0	111.6	N394 S395 V396 N401 F402 Y485 F488 L489 M492	N394-L398 VanDerWaalsContact O-CB 3.3Å; N394-L398 WeakPolarHBondContact O-CB 3.35Å; N394-L398 PolarHBondContact O-N 3.22Å; S395-L398 PolarHBondContact O-N 3.49Å; V396-L398 PolarHBondContact O-N 3.07Å; L398-N401 PolarHBondContact O-N 2.87Å; L398-F402 WeakPolarHBondContact O-CB 3.33Å; L398-F402 PolarHBondContact O-N 2.88Å; L398-Y485 HydrophobicContact CD1-CD2 3.76Å; L398-Y485 HydrophobicContact CD1-CE2 4.14Å; L398-F488 HydrophobicContact CB-CB 3.89Å; L398-F488 HydrophobicContact CD1-CB 4.35Å; L398-L489 HydrophobicContact CD1-CB 3.87Å; L398-M492 HydrophobicContact CD2-CB 3.76Å; L398-M492 HydrophobicContact CD2-CG 3.89Å
399	F	97.3	Very high	97.5	Very high	106 Å²	106	54.7 Å²	54.7	47%	0.465	28%	0.283	S	S	.	.	H	α-helix	trans	-66.5	-37.3	-179.4	-80	-66	0	0	0	112.5	Y371 S395 V396 G403	Y371-F399 HydrophobicContact CD2-CE2 4.46Å; Y371-F399 HydrophobicContact CD2-CZ 4.22Å; Y371-F399 HydrophobicContact CE1-CE2 4.41Å; Y371-F399 AromaticContact CE2-CE2 3.54Å; Y371-F399 HydrophobicContact CE2-CE2 3.54Å; Y371-F399 AromaticContact CE2-CZ 3.51Å; Y371-F399 HydrophobicContact CE2-CZ 3.51Å; Y371-F399 AromaticContact CZ-CE2 3.51Å; Y371-F399 VanDerWaalsContact OH-CE2 3.29Å; Y371-F399 WeakPolarHBondContact OH-CE2 3.27Å; S395-F399 WeakPolarHBondContact O-CD2 3.25Å; S395-F399 PolarHBondContact O-N 2.97Å; V396-F399 PolarHBondContact O-N 3.35Å; F399-G403 PolarHBondContact O-N 3.2Å
400	Y	98.4	Very high	97.6	Very high	128 Å²	128	50.5 Å²	50.5	50%	0.502	26%	0.262	S	S	.	.	H	α-helix	trans	-58.9	-52.2	173.2	172.4	-101.7	0	0	0	111.4	V396 G403 K404 Y481	V396-Y400 WeakPolarHBondContact O-CB 3.45Å; V396-Y400 PolarHBondContact O-N 3.28Å; Y400-G403 PolarHBondContact O-N 3Å; Y400-K404 HydrophobicContact CD2-CG 4.28Å; Y400-K404 HydrophobicContact CE1-CG 4.32Å; Y400-K404 HydrophobicContact CE2-CD 4.28Å; Y400-K404 HydrophobicContact CE2-CG 3.9Å; Y400-K404 WeakPolarHBondContact O-CB 3.25Å; Y400-K404 VanDerWaalsContact O-CG 3.3Å; Y400-K404 WeakPolarHBondContact O-CG 3.06Å; Y400-K404 PolarHBondContact O-N 3.15Å; Y400-Y481 HydrophobicContact CE1-CD1 4.33Å; Y400-Y481 HydrophobicContact CE1-CE1 4.14Å
401	N	98.5	Very high	97.6	Very high	16 Å²	16	48.7 Å²	48.7	9%	0.086	25%	0.251	C	S	.	.	H	α-helix	trans	-66.9	-39.4	-178.9	-78.9	-75	0	0	0	112.6	A397 L398 S405 F488	A397-N401 WeakPolarHBondContact O-CB 3.43Å; A397-N401 PolarHBondContact O-N 3.48Å; A397-N401 PolarHBondContact O-ND2 3.48Å; L398-N401 PolarHBondContact O-N 2.87Å; N401-S405 WeakPolarHBondContact O-CB 3.2Å; N401-S405 PolarHBondContact O-N 3.43Å; N401-S405 PolarHBondContact O-OG 3.45Å; N401-F488 WeakPolarHBondContact ND2-CD2 3.43Å; N401-F488 WeakPolarHBondContact ND2-CE2 3.49Å
402	F	97.1	Very high	97.6	Very high	14 Å²	14	50.1 Å²	50.1	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-50.9	173.1	174.2	-102.4	0	0	0	111.3	L360 Y363 L364 L398 K404 S405 W406 Y485	L360-F402 HydrophobicContact CD1-CE2 4.3Å; L360-F402 HydrophobicContact CD1-CZ 4.02Å; Y363-F402 HydrophobicContact CD1-CE2 4.2Å; Y363-F402 HydrophobicContact CD1-CZ 4.47Å; Y363-F402 AromaticContact CE1-CD2 3.83Å; Y363-F402 HydrophobicContact CE1-CD2 3.83Å; Y363-F402 HydrophobicContact CE1-CE1 4.32Å; Y363-F402 AromaticContact CE1-CE2 3.28Å; Y363-F402 HydrophobicContact CE1-CE2 3.28Å; Y363-F402 AromaticContact CE1-CZ 3.58Å; Y363-F402 HydrophobicContact CE1-CZ 3.58Å; Y363-F402 AromaticContact CZ-CD2 3.62Å; Y363-F402 AromaticContact CZ-CE2 3.58Å; Y363-F402 WeakPolarHBondContact OH-CD2 3.32Å; Y363-F402 WeakPolarHBondContact OH-CE2 3.38Å; Y363-F402 VanDerWaalsContact OH-CG 3.31Å; Y363-F402 WeakPolarHBondContact OH-CG 3.43Å; L364-F402 HydrophobicContact CD2-CE1 4.4Å; L364-F402 HydrophobicContact CD2-CZ 4.31Å; L398-F402 WeakPolarHBondContact O-CB 3.33Å; L398-F402 PolarHBondContact O-N 2.88Å; F402-K404 VanDerWaalsContact C-N 3.31Å; F402-K404 PolarHBondContact O-N 3.2Å; F402-S405 PolarHBondContact O-N 3.21Å; F402-S405 VanDerWaalsContact O-N 3.13Å; F402-W406 AromaticContact CE1-CE3 3.97Å; F402-W406 HydrophobicContact CE1-CE3 3.97Å; F402-W406 WeakPolarHBondContact O-CB 3.42Å; F402-W406 PolarHBondContact O-N 3.19Å; F402-Y485 HydrophobicContact CB-CD2 3.85Å; F402-Y485 HydrophobicContact CB-CE2 4.32Å; F402-Y485 HydrophobicContact CD2-CD2 4.08Å; F402-Y485 AromaticContact CD2-CE2 3.85Å; F402-Y485 HydrophobicContact CD2-CE2 3.85Å; F402-Y485 HydrophobicContact CG-CD2 4.46Å
403	G	97.1	Very high	97.6	Very high	23 Å²	23	47.4 Å²	47.4	24%	0.237	24%	0.244	C	C	.	.	H	α-helix	trans	-60.1	-40.4	-179.8	0	0	0	0	0	112.5	F399 Y400 W406 K407	F399-G403 PolarHBondContact O-N 3.2Å; Y400-G403 PolarHBondContact O-N 3Å; G403-W406 PolarHBondContact O-N 3.08Å; G403-K407 WeakPolarHBondContact O-CB 3.44Å; G403-K407 PolarHBondContact O-N 3.04Å
404	K	98.3	Very high	97.4	Very high	71 Å²	71	51.6 Å²	51.6	31%	0.309	25%	0.251	S	S	.	.	H	α-helix	trans	-68	-39.5	174.7	-69	-71	-74.5	176.1	0	112.1	Y400 F402 W406 S408 Y481	Y400-K404 HydrophobicContact CD2-CG 4.28Å; Y400-K404 HydrophobicContact CE1-CG 4.32Å; Y400-K404 HydrophobicContact CE2-CD 4.28Å; Y400-K404 HydrophobicContact CE2-CG 3.9Å; Y400-K404 WeakPolarHBondContact O-CB 3.25Å; Y400-K404 VanDerWaalsContact O-CG 3.3Å; Y400-K404 WeakPolarHBondContact O-CG 3.06Å; Y400-K404 PolarHBondContact O-N 3.15Å; F402-K404 VanDerWaalsContact C-N 3.31Å; F402-K404 PolarHBondContact O-N 3.2Å; K404-W406 VanDerWaalsContact C-N 3.33Å; K404-S408 WeakPolarHBondContact O-CB 3.24Å; K404-S408 PolarHBondContact O-N 3.46Å; K404-S408 PolarHBondContact O-OG 3.45Å; K404-Y481 HydrophobicContact CB-CD1 3.63Å; K404-Y481 HydrophobicContact CB-CD2 3.72Å; K404-Y481 HydrophobicContact CB-CE1 4.12Å; K404-Y481 HydrophobicContact CB-CE2 4.21Å; K404-Y481 HydrophobicContact CB-CG 3.42Å; K404-Y481 VanDerWaalsContact CB-CG 3.42Å; K404-Y481 WeakPolarHBondContact CE-OH 3.47Å; K404-Y481 HydrophobicContact CG-CD1 4.02Å; K404-Y481 HydrophobicContact CG-CE1 4.09Å; K404-Y481 HydrophobicContact CG-CG 4.29Å
405	S	97.6	Very high	97.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-40.4	175.3	-55	0	0	0	0	111.7	N401 F402 V470 N472 N478 Y481 F482	N401-S405 WeakPolarHBondContact O-CB 3.2Å; N401-S405 PolarHBondContact O-N 3.43Å; N401-S405 PolarHBondContact O-OG 3.45Å; F402-S405 PolarHBondContact O-N 3.21Å; F402-S405 VanDerWaalsContact O-N 3.13Å; S405-V470 WeakPolarHBondContact O-CG1 3.4Å; S405-N472 PolarHBondContact O-ND2 3.37Å; S405-N478 PolarHBondContact O-ND2 3.46Å; S405-N478 VanDerWaalsContact O-ND2 3.1Å; S405-Y481 WeakPolarHBondContact OG-CB 3.21Å; S405-Y481 PolarHBondContact OG-O 3.14Å; S405-F482 VanDerWaalsContact OG-CA 3.29Å; S405-F482 WeakPolarHBondContact OG-CA 3.49Å; S405-F482 PolarHBondContact OG-N 3.26Å
406	W	94.8	Very high	96.8	Very high	117 Å²	117	55.6 Å²	55.6	44%	0.443	28%	0.279	S	S	.	.	H	α-helix	trans	-71.2	-49.6	-179	174.8	28.8	0	0	0	113	F402 G403 K404 V470 N472	F402-W406 AromaticContact CE1-CE3 3.97Å; F402-W406 HydrophobicContact CE1-CE3 3.97Å; F402-W406 WeakPolarHBondContact O-CB 3.42Å; F402-W406 PolarHBondContact O-N 3.19Å; G403-W406 PolarHBondContact O-N 3.08Å; K404-W406 VanDerWaalsContact C-N 3.33Å; W406-V470 VanDerWaalsContact CA-CG1 3.5Å; W406-V470 HydrophobicContact CB-CG1 4.02Å; W406-V470 VanDerWaalsContact N-CG1 3.35Å; W406-N472 PolarHBondContact O-ND2 3Å; W406-N472 VanDerWaalsContact O-ND2 3.07Å
407	K	96.1	Very high	96.4	Very high	158 Å²	158	56.1 Å²	56.1	69%	0.687	27%	0.274	S	S	*	.	H	α-helix	trans	-100.9	-16.2	-168.3	-65.8	-172.5	175.4	-177.8	0	115.3	G403	G403-K407 WeakPolarHBondContact O-CB 3.44Å; G403-K407 PolarHBondContact O-N 3.04Å
408	S	97	Very high	96.2	Very high	23 Å²	23	62.5 Å²	62.5	16%	0.161	30%	0.3	C	S	.	.	S	Bend	trans	-74.9	153.6	-178.8	-51.9	0	0	0	0	111.4	K404 P410 N472	K404-S408 WeakPolarHBondContact O-CB 3.24Å; K404-S408 PolarHBondContact O-N 3.46Å; K404-S408 PolarHBondContact O-OG 3.45Å; S408-P410 WeakPolarHBondContact O-CD 3.4Å; S408-N472 PolarHBondContact O-ND2 3.42Å
409	D	97.9	Very high	96	Very high	64 Å²	64	67.1 Å²	67.1	34%	0.342	32%	0.322	S	S	.	.			trans	-61.7	119.5	169.8	-168.5	-26.7	0	0	0	109	G411 I412 K414 G477	D409-G411 PolarHBondContact O-N 3.26Å; D409-G411 PolarHBondContact OD1-N 3.09Å; D409-I412 WeakPolarHBondContact OD1-CB 3.46Å; D409-I412 WeakPolarHBondContact OD1-CG1 3.32Å; D409-I412 PolarHBondContact OD1-N 3.3Å; D409-K414 WeakPolarHBondContact OD2-CE 3.49Å; D409-K414 IonicContact OD2-NZ 2.89Å; D409-K414 PolarHBondContact OD2-NZ 3.06Å; D409-G477 CarbonylContact O-C 3.42Å; D409-G477 WeakPolarHBondContact O-CA 3.25Å
410	P	97.9	Very high	95.8	Very high	4 Å²	4	64.7 Å²	64.7	3%	0.026	31%	0.311	C	S	.	.			trans	-73.4	-1.5	179.6	32	-37.6	0	0	0	113.3	S408 I412 I460 C473 G475 A476 G477	S408-P410 WeakPolarHBondContact O-CD 3.4Å; P410-I412 HydrophobicContact CG-CD1 4.46Å; P410-I412 HydrophobicContact CG-CG1 4.05Å; P410-I460 HydrophobicContact CB-CG2 4.1Å; P410-I460 HydrophobicContact CG-CD1 4.02Å; P410-I460 HydrophobicContact CG-CG2 4.32Å; P410-C473 HydrophobicContact CB-CB 3.84Å; P410-C473 WeakPolarHBondContact CB-O 3.23Å; P410-C473 HydrophobicContact CG-CB 3.88Å; P410-G475 CarbonylContact O-C 3.58Å; P410-G475 VanDerWaalsContact O-CA 3.26Å; P410-G475 WeakPolarHBondContact O-CA 3.25Å; P410-A476 PolarHBondContact O-N 2.88Å; P410-A476 VanDerWaalsContact O-N 3.08Å; P410-G477 PolarHBondContact O-N 3Å
411	G	97.4	Very high	95.6	Very high	8 Å²	8	61.8 Å²	61.8	8%	0.082	30%	0.301	C	S	.	.			trans	108.2	41.5	-173.1	0	0	0	0	0	111.7	D409 I413 I460 A461	D409-G411 PolarHBondContact O-N 3.26Å; D409-G411 PolarHBondContact OD1-N 3.09Å; G411-I413 PolarHBondContact O-N 3.18Å; G411-I460 CarbonylContact O-C 3.47Å; G411-I460 WeakPolarHBondContact O-CA 3.49Å; G411-A461 WeakPolarHBondContact O-CB 3.39Å; G411-A461 PolarHBondContact O-N 2.96Å
412	I	97.8	Very high	95.4	Very high	33 Å²	33	68 Å²	68	17%	0.169	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-63.1	124.1	178	-65.9	165.5	0	0	0	109	D409 P410 K414 R458 I460	D409-I412 WeakPolarHBondContact OD1-CB 3.46Å; D409-I412 WeakPolarHBondContact OD1-CG1 3.32Å; D409-I412 PolarHBondContact OD1-N 3.3Å; P410-I412 HydrophobicContact CG-CD1 4.46Å; P410-I412 HydrophobicContact CG-CG1 4.05Å; I412-K414 HydrophobicContact CG2-CG 4.09Å; I412-K414 PolarHBondContact O-N 3.41Å; I412-R458 HydrophobicContact CG2-CB 4.4Å; I412-I460 HydrophobicContact CG1-CD1 3.68Å
413	I	96.9	Very high	95.3	Very high	19 Å²	19	68.8 Å²	68.8	10%	0.097	33%	0.333	C	S	.	.			trans	-79.6	121	174.7	-57.2	151	0	0	0	108.2	G411 I444 P447 C459 A461	G411-I413 PolarHBondContact O-N 3.18Å; I413-I444 HydrophobicContact CB-CD1 3.66Å; I413-I444 HydrophobicContact CD1-CD1 4.11Å; I413-I444 HydrophobicContact CG2-CD1 3.39Å; I413-P447 VanDerWaalsContact CD1-CD 3.44Å; I413-P447 HydrophobicContact CD1-CG 3.7Å; I413-P447 HydrophobicContact CG1-CG 4.23Å; I413-C459 HydrophobicContact CB-CB 4.47Å; I413-C459 HydrophobicContact CD1-CB 3.85Å; I413-C459 PolarHBondContact N-O 3.07Å; I413-A461 HydrophobicContact CG1-CB 4.33Å
414	K	93.5	Very high	95.1	Very high	148 Å²	148	67.7 Å²	67.7	64%	0.643	32%	0.322	S	S	*	.			trans	-111.2	139.7	-176.3	-61.5	171.2	-168.1	162.6	0	108.7	D409 I412	D409-K414 WeakPolarHBondContact OD2-CE 3.49Å; D409-K414 IonicContact OD2-NZ 2.89Å; D409-K414 PolarHBondContact OD2-NZ 3.06Å; I412-K414 HydrophobicContact CG2-CG 4.09Å; I412-K414 PolarHBondContact O-N 3.41Å
415	A	92.1	Very high	95	Very high	30 Å²	30	65.6 Å²	65.6	25%	0.248	32%	0.315	C	S	.	.			trans	-144.2	137.5	173.8	0	0	0	0	0	109.3	Q419 K420 I444	A415-Q419 HydrophobicContact CB-CB 4.2Å; A415-K420 HydrophobicContact CB-CG 3.94Å; A415-I444 HydrophobicContact CB-CG2 3.49Å; A415-I444 VanDerWaalsContact CB-CG2 3.49Å
416	T	92.9	Very high	94.9	Very high	74 Å²	74	70.3 Å²	70.3	45%	0.454	34%	0.337	S	S	.	.			trans	-69.5	163.5	169.7	67.8	0	0	0	0	110.3	E418 Q419 K420	T416-E418 VanDerWaalsContact C-N 3.28Å; T416-E418 PolarHBondContact O-N 2.64Å; T416-Q419 PolarHBondContact O-N 2.89Å; T416-Q419 VanDerWaalsContact OG1-CG 3.31Å; T416-Q419 WeakPolarHBondContact OG1-CG 3.45Å; T416-Q419 PolarHBondContact OG1-N 2.88Å; T416-Q419 PolarHBondContact OG1-OE1 3.48Å; T416-K420 VanDerWaalsContact O-CG 3.28Å; T416-K420 WeakPolarHBondContact O-CG 3.34Å; T416-K420 PolarHBondContact O-N 3.37Å
417	E	89.8	Confident	94.9	Very high	118 Å²	118	64.9 Å²	64.9	55%	0.551	32%	0.317	S	S	*	.	H	α-helix	trans	-58.1	-41.4	176.7	-165.8	-172.8	145.9	0	0	112.6	Q419 K420 K421	E417-Q419 PolarHBondContact O-N 3.22Å; E417-K420 WeakPolarHBondContact O-CB 3.37Å; E417-K420 PolarHBondContact O-N 2.9Å; E417-K421 PolarHBondContact O-N 3.46Å; E417-K421 WeakPolarHBondContact OE1-CE 3.45Å; E417-K421 IonicContact OE1-NZ 3.18Å; E417-K421 PolarHBondContact OE1-NZ 3.11Å
418	E	92.9	Very high	94.8	Very high	157 Å²	157	57.5 Å²	57.5	73%	0.734	29%	0.285	S	S	*	.	H	α-helix	trans	-60.9	-44.9	175.1	-171.5	-174.4	173.2	0	0	112.1	T416 K420 K421 K422	T416-E418 VanDerWaalsContact C-N 3.28Å; T416-E418 PolarHBondContact O-N 2.64Å; E418-K420 VanDerWaalsContact C-N 3.31Å; E418-K420 PolarHBondContact O-N 2.92Å; E418-K421 PolarHBondContact O-N 2.8Å; E418-K422 WeakPolarHBondContact O-CB 3.48Å; E418-K422 PolarHBondContact O-N 2.89Å
419	Q	94	Very high	94.8	Very high	99 Å²	99	59.5 Å²	59.5	46%	0.463	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-38.1	176.2	-74.1	170.2	-21.4	0	0	112	A415 T416 E417 T423	A415-Q419 HydrophobicContact CB-CB 4.2Å; T416-Q419 PolarHBondContact O-N 2.89Å; T416-Q419 VanDerWaalsContact OG1-CG 3.31Å; T416-Q419 WeakPolarHBondContact OG1-CG 3.45Å; T416-Q419 PolarHBondContact OG1-N 2.88Å; T416-Q419 PolarHBondContact OG1-OE1 3.48Å; E417-Q419 PolarHBondContact O-N 3.22Å; Q419-T423 VanDerWaalsContact O-CB 3.32Å; Q419-T423 WeakPolarHBondContact O-CB 3.5Å; Q419-T423 PolarHBondContact O-N 3.43Å; Q419-T423 PolarHBondContact O-OG1 2.71Å
420	K	93.7	Very high	94.6	Very high	55 Å²	55	60.7 Å²	60.7	24%	0.239	30%	0.301	C	S	.	.	H	α-helix	trans	-61.7	-50.5	175.4	-68.7	170	175.5	-174.5	0	110.8	A415 T416 E417 E418 T423 I424 C442 L443	A415-K420 HydrophobicContact CB-CG 3.94Å; T416-K420 VanDerWaalsContact O-CG 3.28Å; T416-K420 WeakPolarHBondContact O-CG 3.34Å; T416-K420 PolarHBondContact O-N 3.37Å; E417-K420 WeakPolarHBondContact O-CB 3.37Å; E417-K420 PolarHBondContact O-N 2.9Å; E418-K420 VanDerWaalsContact C-N 3.31Å; E418-K420 PolarHBondContact O-N 2.92Å; K420-T423 PolarHBondContact O-N 3.14Å; K420-I424 WeakPolarHBondContact O-CG1 3.27Å; K420-I424 PolarHBondContact O-N 3.31Å; K420-C442 WeakPolarHBondContact CE-O 3.27Å; K420-L443 WeakPolarHBondContact CA-O 3.48Å; K420-L443 HydrophobicContact CB-CB 3.82Å; K420-L443 HydrophobicContact CD-CB 3.93Å; K420-L443 HydrophobicContact CD-CD1 4.25Å; K420-L443 HydrophobicContact CG-CB 3.82Å; K420-L443 WeakPolarHBondContact CG-O 3.43Å
421	K	94.3	Very high	94.2	Very high	67 Å²	67	63.8 Å²	63.8	29%	0.291	34%	0.335	S	S	.	.	H	α-helix	trans	-60.2	-48.2	177	-68.5	179.8	-175.4	169.4	0	111.2	A178 F213 E417 E418 T423 I424 V425	A178-K421 HydrophobicContact CB-CB 4.08Å; A178-K421 HydrophobicContact CB-CG 4.33Å; F213-K421 HydrophobicContact CE1-CG 4.39Å; E417-K421 PolarHBondContact O-N 3.46Å; E417-K421 WeakPolarHBondContact OE1-CE 3.45Å; E417-K421 IonicContact OE1-NZ 3.18Å; E417-K421 PolarHBondContact OE1-NZ 3.11Å; E418-K421 PolarHBondContact O-N 2.8Å; K421-T423 VanDerWaalsContact C-N 3.33Å; K421-T423 PolarHBondContact O-N 3.18Å; K421-I424 PolarHBondContact O-N 3.43Å; K421-V425 WeakPolarHBondContact O-CG2 3.46Å; K421-V425 PolarHBondContact O-N 3.07Å
422	K	95.4	Very high	93.7	Very high	147 Å²	147	65.7 Å²	65.7	64%	0.639	35%	0.347	S	S	*	.	H	α-helix	trans	-57.2	-44.1	176.8	-175.1	177.8	179.1	178	0	112.4	E418 I424 V425 E426	E418-K422 WeakPolarHBondContact O-CB 3.48Å; E418-K422 PolarHBondContact O-N 2.89Å; K422-I424 PolarHBondContact O-N 3.03Å; K422-V425 PolarHBondContact O-N 3.49Å; K422-E426 WeakPolarHBondContact O-CB 3.37Å; K422-E426 PolarHBondContact O-N 3.43Å
423	T	93.6	Very high	93.3	Very high	29 Å²	29	65.3 Å²	65.3	18%	0.178	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-42.5	178.5	-59	0	0	0	0	111.7	Q419 K420 K421 L427 R445	Q419-T423 VanDerWaalsContact O-CB 3.32Å; Q419-T423 WeakPolarHBondContact O-CB 3.5Å; Q419-T423 PolarHBondContact O-N 3.43Å; Q419-T423 PolarHBondContact O-OG1 2.71Å; K420-T423 PolarHBondContact O-N 3.14Å; K421-T423 VanDerWaalsContact C-N 3.33Å; K421-T423 PolarHBondContact O-N 3.18Å; T423-L427 HydrophobicContact CG2-CD1 3.88Å; T423-L427 HydrophobicContact CG2-CG 4.3Å; T423-L427 WeakPolarHBondContact O-CB 3.27Å; T423-L427 VanDerWaalsContact O-CG 3.24Å; T423-L427 WeakPolarHBondContact O-CG 3.25Å; T423-L427 PolarHBondContact O-N 3.45Å; T423-R445 HydrophobicContact CG2-CB 3.85Å
424	I	94.2	Very high	92.6	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-62.1	-47.4	176.9	-68.4	163	0	0	0	110.4	A174 A178 F213 K420 K421 K422 L427 A428 L433 F438 L443	A174-I424 HydrophobicContact CB-CD1 4.36Å; A174-I424 HydrophobicContact CB-CG2 3.89Å; A178-I424 HydrophobicContact CB-CB 3.95Å; A178-I424 HydrophobicContact CB-CD1 4.46Å; A178-I424 HydrophobicContact CB-CG2 3.82Å; F213-I424 HydrophobicContact CE2-CD1 4.4Å; F213-I424 HydrophobicContact CZ-CD1 3.69Å; K420-I424 WeakPolarHBondContact O-CG1 3.27Å; K420-I424 PolarHBondContact O-N 3.31Å; K421-I424 PolarHBondContact O-N 3.43Å; K422-I424 PolarHBondContact O-N 3.03Å; I424-L427 PolarHBondContact O-N 3.22Å; I424-A428 VanDerWaalsContact O-CB 3.27Å; I424-A428 WeakPolarHBondContact O-CB 3.44Å; I424-A428 PolarHBondContact O-N 3.03Å; I424-L433 HydrophobicContact CG2-CD2 4.23Å; I424-F438 HydrophobicContact CD1-CZ 4.09Å; I424-F438 HydrophobicContact CG1-CE2 3.73Å; I424-F438 HydrophobicContact CG1-CZ 3.62Å; I424-L443 HydrophobicContact CD1-CB 4.43Å; I424-L443 HydrophobicContact CD1-CD2 4.41Å
425	V	96.2	Very high	91.9	Very high	27 Å²	27	65.6 Å²	65.6	16%	0.164	35%	0.353	C	S	.	.	H	α-helix	trans	-60.3	-50.4	178.6	171.8	0	0	0	0	110.7	A178 K179 K421 K422 L427 A428 E429	A178-V425 HydrophobicContact CB-CG2 3.79Å; K179-V425 HydrophobicContact CD-CG2 4.22Å; K179-V425 HydrophobicContact CG-CG2 4.46Å; K421-V425 WeakPolarHBondContact O-CG2 3.46Å; K421-V425 PolarHBondContact O-N 3.07Å; K422-V425 PolarHBondContact O-N 3.49Å; V425-L427 PolarHBondContact O-N 2.9Å; V425-A428 PolarHBondContact O-N 2.84Å; V425-E429 HydrophobicContact CG1-CG 4.26Å; V425-E429 VanDerWaalsContact CG1-OE1 3.32Å; V425-E429 WeakPolarHBondContact CG1-OE1 3.32Å; V425-E429 VanDerWaalsContact O-CB 3.31Å; V425-E429 WeakPolarHBondContact O-CB 3.43Å; V425-E429 VanDerWaalsContact O-CG 3.29Å; V425-E429 WeakPolarHBondContact O-CG 3.27Å; V425-E429 PolarHBondContact O-N 3.28Å
426	E	94.8	Very high	91.3	Very high	99 Å²	99	67.8 Å²	67.8	46%	0.463	37%	0.367	S	S	.	.	H	α-helix	trans	-57.1	-51.1	179.1	-174.9	-175.7	152.6	0	0	111.2	K422 A428 E429 T430	K422-E426 WeakPolarHBondContact O-CB 3.37Å; K422-E426 PolarHBondContact O-N 3.43Å; E426-A428 PolarHBondContact O-N 2.99Å; E426-E429 PolarHBondContact O-N 2.88Å; E426-T430 WeakPolarHBondContact O-CG2 3.5Å; E426-T430 PolarHBondContact O-N 2.95Å; E426-T430 PolarHBondContact O-OG1 2.98Å; E426-T430 VanDerWaalsContact O-OG1 3.12Å
427	L	94.6	Very high	91	Very high	4 Å²	4	67.2 Å²	67.2	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-64.4	-39.2	-179.7	-70.3	177.7	0	0	0	112.6	T423 I424 V425 T430 G431 S432 L433 I437 F438 R445	T423-L427 HydrophobicContact CG2-CD1 3.88Å; T423-L427 HydrophobicContact CG2-CG 4.3Å; T423-L427 WeakPolarHBondContact O-CB 3.27Å; T423-L427 VanDerWaalsContact O-CG 3.24Å; T423-L427 WeakPolarHBondContact O-CG 3.25Å; T423-L427 PolarHBondContact O-N 3.45Å; I424-L427 PolarHBondContact O-N 3.22Å; V425-L427 PolarHBondContact O-N 2.9Å; L427-T430 PolarHBondContact O-OG1 3.19Å; L427-G431 PolarHBondContact O-N 3.33Å; L427-S432 CarbonylContact O-C 3.56Å; L427-S432 WeakPolarHBondContact O-CA 3.39Å; L427-S432 PolarHBondContact O-N 3.15Å; L427-L433 HydrophobicContact CB-CB 3.88Å; L427-L433 HydrophobicContact CB-CD1 3.91Å; L427-L433 HydrophobicContact CB-CG 4.48Å; L427-L433 HydrophobicContact CD1-CD1 4.03Å; L427-L433 PolarHBondContact O-N 3.44Å; L427-I437 HydrophobicContact CD2-CD1 4.2Å; L427-F438 HydrophobicContact CD1-CB 4.22Å; L427-F438 HydrophobicContact CD1-CD2 3.79Å; L427-F438 HydrophobicContact CD1-CG 4.38Å; L427-R445 HydrophobicContact CD1-CB 4.26Å
428	A	95.1	Very high	91	Very high	3 Å²	3	61.9 Å²	61.9	3%	0.025	34%	0.335	C	S	.	.	H	α-helix	trans	-65.8	-44.6	177.2	0	0	0	0	0	110.7	L137 V141 Y175 I424 V425 E426 T430 G431 L433	L137-A428 HydrophobicContact CD1-CB 4.32Å; L137-A428 HydrophobicContact CD2-CB 4.17Å; V141-A428 HydrophobicContact CG2-CB 4.1Å; Y175-A428 HydrophobicContact CD2-CB 3.39Å; Y175-A428 HydrophobicContact CE2-CB 3.91Å; Y175-A428 HydrophobicContact CG-CB 4.06Å; I424-A428 VanDerWaalsContact O-CB 3.27Å; I424-A428 WeakPolarHBondContact O-CB 3.44Å; I424-A428 PolarHBondContact O-N 3.03Å; V425-A428 PolarHBondContact O-N 2.84Å; E426-A428 PolarHBondContact O-N 2.99Å; A428-T430 PolarHBondContact O-N 3.3Å; A428-G431 PolarHBondContact O-N 3.1Å; A428-G431 VanDerWaalsContact O-N 3.13Å; A428-L433 HydrophobicContact CB-CB 4.42Å; A428-L433 HydrophobicContact CB-CD2 4.07Å
429	E	95.5	Very high	91	Very high	65 Å²	65	54.7 Å²	54.7	30%	0.304	30%	0.302	S	S	.	.	H	α-helix	trans	-72.7	-26.4	-176.7	-70.6	-167.3	-160.4	0	0	114.3	V141 K145 Y175 K179 V425 E426 G431	V141-E429 HydrophobicContact CG1-CB 4.41Å; V141-E429 HydrophobicContact CG1-CG 3.89Å; K145-E429 VanDerWaalsContact CE-CD 3.42Å; K145-E429 WeakPolarHBondContact CE-OE2 3.37Å; K145-E429 IonicContact NZ-OE2 3.85Å; K145-E429 PolarHBondContact NZ-OE2 3.37Å; K145-E429 VanDerWaalsContact NZ-OE2 3.11Å; Y175-E429 HydrophobicContact CE2-CG 4.16Å; K179-E429 WeakPolarHBondContact CE-OE1 3.35Å; K179-E429 IonicContact NZ-OE1 2.64Å; K179-E429 PolarHBondContact NZ-OE1 3.14Å; V425-E429 HydrophobicContact CG1-CG 4.26Å; V425-E429 VanDerWaalsContact CG1-OE1 3.32Å; V425-E429 WeakPolarHBondContact CG1-OE1 3.32Å; V425-E429 VanDerWaalsContact O-CB 3.31Å; V425-E429 WeakPolarHBondContact O-CB 3.43Å; V425-E429 VanDerWaalsContact O-CG 3.29Å; V425-E429 WeakPolarHBondContact O-CG 3.27Å; V425-E429 PolarHBondContact O-N 3.28Å; E426-E429 PolarHBondContact O-N 2.88Å; E429-G431 VanDerWaalsContact C-N 3.31Å
430	T	93.5	Very high	90.6	Very high	88 Å²	88	51 Å²	51	54%	0.54	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	4.6	170.9	66	0	0	0	0	113.2	E426 L427 A428 S432	E426-T430 WeakPolarHBondContact O-CG2 3.5Å; E426-T430 PolarHBondContact O-N 2.95Å; E426-T430 PolarHBondContact O-OG1 2.98Å; E426-T430 VanDerWaalsContact O-OG1 3.12Å; L427-T430 PolarHBondContact O-OG1 3.19Å; A428-T430 PolarHBondContact O-N 3.3Å; T430-S432 PolarHBondContact O-N 2.88Å; T430-S432 PolarHBondContact O-OG 3.26Å; T430-S432 WeakPolarHBondContact OG1-CB 3.25Å; T430-S432 PolarHBondContact OG1-OG 3.37Å
431	G	90.1	Very high	90.3	Very high	70 Å²	70	49.5 Å²	49.5	72%	0.722	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	22.2	-177.3	0	0	0	0	0	113.9	L427 A428 E429	L427-G431 PolarHBondContact O-N 3.33Å; A428-G431 PolarHBondContact O-N 3.1Å; A428-G431 VanDerWaalsContact O-N 3.13Å; E429-G431 VanDerWaalsContact C-N 3.31Å
432	S	87.5	Confident	90.2	Very high	48 Å²	48	47.3 Å²	47.3	34%	0.336	28%	0.276	S	S	.	.			trans	-109.7	6.2	-175.2	-56.2	0	0	0	0	113.5	L427 T430 D434 I437	L427-S432 CarbonylContact O-C 3.56Å; L427-S432 WeakPolarHBondContact O-CA 3.39Å; L427-S432 PolarHBondContact O-N 3.15Å; T430-S432 PolarHBondContact O-N 2.88Å; T430-S432 PolarHBondContact O-OG 3.26Å; T430-S432 WeakPolarHBondContact OG1-CB 3.25Å; T430-S432 PolarHBondContact OG1-OG 3.37Å; S432-D434 PolarHBondContact O-N 3.4Å; S432-I437 WeakPolarHBondContact O-CD1 3.48Å; S432-I437 WeakPolarHBondContact O-CG1 3.46Å
433	L	88.4	Confident	90	Very high	24 Å²	24	40.4 Å²	40.4	13%	0.126	25%	0.245	C	C	.	.			trans	-74.1	76.2	176.9	-172.1	61.8	0	0	0	110.8	L137 I424 L427 A428 F438	L137-L433 HydrophobicContact CD2-CB 4.07Å; L137-L433 HydrophobicContact CD2-CD2 4.03Å; I424-L433 HydrophobicContact CG2-CD2 4.23Å; L427-L433 HydrophobicContact CB-CB 3.88Å; L427-L433 HydrophobicContact CB-CD1 3.91Å; L427-L433 HydrophobicContact CB-CG 4.48Å; L427-L433 HydrophobicContact CD1-CD1 4.03Å; L427-L433 PolarHBondContact O-N 3.44Å; A428-L433 HydrophobicContact CB-CB 4.42Å; A428-L433 HydrophobicContact CB-CD2 4.07Å; L433-F438 HydrophobicContact CD1-CB 4.03Å; L433-F438 HydrophobicContact CD1-CD1 3.86Å; L433-F438 HydrophobicContact CD1-CD2 3.92Å; L433-F438 HydrophobicContact CD1-CE1 4.26Å; L433-F438 HydrophobicContact CD1-CE2 4.32Å; L433-F438 HydrophobicContact CD1-CG 3.67Å; L433-F438 HydrophobicContact CD1-CZ 4.48Å
434	D	83.1	Confident	90	Very high	86 Å²	86	39.4 Å²	39.4	46%	0.46	24%	0.239	S	C	.	.			trans	-112.3	137.8	174.4	174.8	14.9	0	0	0	109.9	S432 S436 I437 F438	S432-D434 PolarHBondContact O-N 3.4Å; D434-S436 VanDerWaalsContact CG-OG 3.29Å; D434-S436 PolarHBondContact O-N 3.27Å; D434-S436 VanDerWaalsContact O-N 3.09Å; D434-S436 PolarHBondContact OD1-N 3.06Å; D434-S436 VanDerWaalsContact OD1-N 3.1Å; D434-S436 VanDerWaalsContact OD2-CB 3.24Å; D434-S436 WeakPolarHBondContact OD2-CB 3.44Å; D434-S436 PolarHBondContact OD2-OG 3.02Å; D434-I437 HydrophobicContact CB-CG1 4.4Å; D434-I437 WeakPolarHBondContact O-CG1 3.33Å; D434-I437 PolarHBondContact O-N 3.02Å; D434-F438 VanDerWaalsContact O-CB 3.29Å; D434-F438 WeakPolarHBondContact O-CB 3.34Å; D434-F438 PolarHBondContact O-N 3.47Å
435	L	77.7	Confident	90	Very high	87 Å²	87	42.8 Å²	42.8	46%	0.455	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.4	176.3	-64	177	0	0	0	113.1	F438 K446	L435-F438 CarbonylContact C-O 3.1Å; L435-F438 HydrophobicContact CD2-CD1 4.45Å; L435-K446 PolarHBondContact O-NZ 3.02Å
436	S	79.9	Confident	89.8	Confident	77 Å²	77	44.1 Å²	44.1	54%	0.538	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-40.5	171.2	78.4	0	0	0	0	112.5	D434	D434-S436 VanDerWaalsContact CG-OG 3.29Å; D434-S436 PolarHBondContact O-N 3.27Å; D434-S436 VanDerWaalsContact O-N 3.09Å; D434-S436 PolarHBondContact OD1-N 3.06Å; D434-S436 VanDerWaalsContact OD1-N 3.1Å; D434-S436 VanDerWaalsContact OD2-CB 3.24Å; D434-S436 WeakPolarHBondContact OD2-CB 3.44Å; D434-S436 PolarHBondContact OD2-OG 3.02Å
437	I	86.9	Confident	89.8	Confident	61 Å²	61	39.5 Å²	39.5	31%	0.313	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-10.8	-178.9	62.1	166.7	0	0	0	113.7	L427 S432 D434 R445 K446	L427-I437 HydrophobicContact CD2-CD1 4.2Å; S432-I437 WeakPolarHBondContact O-CD1 3.48Å; S432-I437 WeakPolarHBondContact O-CG1 3.46Å; D434-I437 HydrophobicContact CB-CG1 4.4Å; D434-I437 WeakPolarHBondContact O-CG1 3.33Å; D434-I437 PolarHBondContact O-N 3.02Å; I437-R445 CarbonylContact O-C 3.42Å; I437-R445 WeakPolarHBondContact O-CA 2.79Å; I437-K446 WeakPolarHBondContact O-CB 3.45Å; I437-K446 PolarHBondContact O-N 2.96Å
438	F	90.8	Very high	89.7	Confident	7 Å²	7	40.5 Å²	40.5	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	141.1	176.8	-179.4	-107.7	0	0	0	110.8	I424 L427 L433 D434 L435 L443 I444 K446	I424-F438 HydrophobicContact CD1-CZ 4.09Å; I424-F438 HydrophobicContact CG1-CE2 3.73Å; I424-F438 HydrophobicContact CG1-CZ 3.62Å; L427-F438 HydrophobicContact CD1-CB 4.22Å; L427-F438 HydrophobicContact CD1-CD2 3.79Å; L427-F438 HydrophobicContact CD1-CG 4.38Å; L433-F438 HydrophobicContact CD1-CB 4.03Å; L433-F438 HydrophobicContact CD1-CD1 3.86Å; L433-F438 HydrophobicContact CD1-CD2 3.92Å; L433-F438 HydrophobicContact CD1-CE1 4.26Å; L433-F438 HydrophobicContact CD1-CE2 4.32Å; L433-F438 HydrophobicContact CD1-CG 3.67Å; L433-F438 HydrophobicContact CD1-CZ 4.48Å; D434-F438 VanDerWaalsContact O-CB 3.29Å; D434-F438 WeakPolarHBondContact O-CB 3.34Å; D434-F438 PolarHBondContact O-N 3.47Å; L435-F438 CarbonylContact C-O 3.1Å; L435-F438 HydrophobicContact CD2-CD1 4.45Å; F438-L443 HydrophobicContact CE1-CD2 4.36Å; F438-L443 HydrophobicContact CZ-CB 4.27Å; F438-L443 HydrophobicContact CZ-CD2 3.89Å; F438-I444 WeakPolarHBondContact CD2-O 3.34Å; F438-K446 WeakPolarHBondContact O-CE 3.47Å; F438-K446 PolarHBondContact O-NZ 2.85Å
439	C	91.2	Very high	89.7	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.034	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	110.3	170.8	-177.8	0	0	0	0	109.7	T441 C442 L443 I444 K446 C459	C439-T441 PolarHBondContact O-N 2.88Å; C439-C442 HydrophobicContact CB-CB 4.2Å; C439-C442 PolarHBondContact O-N 3.1Å; C439-C442 PolarHBondContact SG-N 3Å; C439-C442 VanDerWaalsContact SG-N 3.35Å; C439-L443 VanDerWaalsContact O-CA 3.25Å; C439-L443 WeakPolarHBondContact O-CA 3.21Å; C439-L443 PolarHBondContact O-N 3.41Å; C439-I444 HydrophobicContact CB-CG1 4.19Å; C439-I444 PolarHBondContact N-O 3.47Å; C439-K446 HydrophobicContact CB-CD 4.49Å; C439-K446 HydrophobicContact CB-CG 4.09Å; C439-C459 PolarHBondContact SG-SG 2.8Å
440	S	85.7	Confident	89.8	Confident	21 Å²	21	38 Å²	38	15%	0.147	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.1	177.8	51.2	0	0	0	0	114.1	L443	S440-L443 WeakPolarHBondContact O-CD2 3.47Å
441	T	87.9	Confident	89.9	Confident	25 Å²	25	37.2 Å²	37.2	15%	0.153	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-41.3	176.5	-46.5	0	0	0	0	112.9	T212 C439 N457	T212-T441 WeakPolarHBondContact CG2-O 3.47Å; C439-T441 PolarHBondContact O-N 2.88Å; T441-N457 WeakPolarHBondContact CG2-OD1 3.37Å
442	C	92.1	Very high	90.1	Very high	21 Å²	21	35.8 Å²	35.8	14%	0.142	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-13.7	-178.9	-67	0	0	0	0	113	K420 C439 I444 H452 C459	K420-C442 WeakPolarHBondContact CE-O 3.27Å; C439-C442 HydrophobicContact CB-CB 4.2Å; C439-C442 PolarHBondContact O-N 3.1Å; C439-C442 PolarHBondContact SG-N 3Å; C439-C442 VanDerWaalsContact SG-N 3.35Å; C442-I444 VanDerWaalsContact C-N 3.32Å; C442-I444 HydrophobicContact CB-CD1 4.11Å; C442-I444 HydrophobicContact CB-CG1 3.77Å; C442-I444 PolarHBondContact O-N 2.96Å; C442-H452 PolarHBondContact SG-ND1 2.68Å; C442-H452 VanDerWaalsContact SG-ND1 3.45Å; C442-C459 PolarHBondContact SG-N 3.39Å
443	L	92.3	Very high	90.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	42.4	-175.5	-51.6	178.9	0	0	0	113.6	L209 T212 F213 K420 I424 F438 C439 S440	L209-L443 HydrophobicContact CD1-CD2 3.44Å; L209-L443 VanDerWaalsContact CD1-CD2 3.44Å; T212-L443 HydrophobicContact CG2-CD1 3.61Å; T212-L443 HydrophobicContact CG2-CD2 4.36Å; T212-L443 HydrophobicContact CG2-CG 3.77Å; F213-L443 HydrophobicContact CD1-CD1 4.21Å; F213-L443 HydrophobicContact CD2-CD1 4.22Å; F213-L443 HydrophobicContact CE1-CD1 3.72Å; F213-L443 HydrophobicContact CE2-CD1 3.74Å; F213-L443 HydrophobicContact CE2-CD2 4.29Å; F213-L443 HydrophobicContact CG-CD1 4.45Å; F213-L443 HydrophobicContact CZ-CD1 3.47Å; F213-L443 VanDerWaalsContact CZ-CD1 3.47Å; F213-L443 HydrophobicContact CZ-CD2 4.49Å; K420-L443 WeakPolarHBondContact CA-O 3.48Å; K420-L443 HydrophobicContact CB-CB 3.82Å; K420-L443 HydrophobicContact CD-CB 3.93Å; K420-L443 HydrophobicContact CD-CD1 4.25Å; K420-L443 HydrophobicContact CG-CB 3.82Å; K420-L443 WeakPolarHBondContact CG-O 3.43Å; I424-L443 HydrophobicContact CD1-CB 4.43Å; I424-L443 HydrophobicContact CD1-CD2 4.41Å; F438-L443 HydrophobicContact CE1-CD2 4.36Å; F438-L443 HydrophobicContact CZ-CB 4.27Å; F438-L443 HydrophobicContact CZ-CD2 3.89Å; C439-L443 VanDerWaalsContact O-CA 3.25Å; C439-L443 WeakPolarHBondContact O-CA 3.21Å; C439-L443 PolarHBondContact O-N 3.41Å; S440-L443 WeakPolarHBondContact O-CD2 3.47Å
444	I	92.9	Very high	90.6	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	153.5	-179.7	59.6	167.9	0	0	0	110.8	I413 A415 F438 C439 C442 K446 C459	I413-I444 HydrophobicContact CB-CD1 3.66Å; I413-I444 HydrophobicContact CD1-CD1 4.11Å; I413-I444 HydrophobicContact CG2-CD1 3.39Å; A415-I444 HydrophobicContact CB-CG2 3.49Å; A415-I444 VanDerWaalsContact CB-CG2 3.49Å; F438-I444 WeakPolarHBondContact CD2-O 3.34Å; C439-I444 HydrophobicContact CB-CG1 4.19Å; C439-I444 PolarHBondContact N-O 3.47Å; C442-I444 VanDerWaalsContact C-N 3.32Å; C442-I444 HydrophobicContact CB-CD1 4.11Å; C442-I444 HydrophobicContact CB-CG1 3.77Å; C442-I444 PolarHBondContact O-N 2.96Å; I444-K446 PolarHBondContact O-N 2.63Å; I444-C459 HydrophobicContact CD1-CB 3.69Å
445	R	93.5	Very high	90.9	Very high	72 Å²	72	35.8 Å²	35.8	27%	0.272	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	127.6	158.3	-172.4	179.3	178.2	175.9	-3.3	107.5	T423 L427 I437 P447 Y617	T423-R445 HydrophobicContact CG2-CB 3.85Å; L427-R445 HydrophobicContact CD1-CB 4.26Å; I437-R445 CarbonylContact O-C 3.42Å; I437-R445 WeakPolarHBondContact O-CA 2.79Å; R445-P447 VanDerWaalsContact O-CD 3.26Å; R445-P447 WeakPolarHBondContact O-CD 3.37Å; R445-Y617 HydrophobicContact CB-CD1 4.27Å; R445-Y617 HydrophobicContact CB-CE1 3.9Å; R445-Y617 HydrophobicContact CG-CD1 3.68Å; R445-Y617 HydrophobicContact CG-CE1 3.84Å; R445-Y617 WeakPolarHBondContact O-CE1 3.19Å
446	K	93.3	Very high	91.6	Very high	55 Å²	55	33.8 Å²	33.8	24%	0.239	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-73.6	118.7	176	-68.2	168	180	156.6	0	108.4	L435 I437 F438 C439 I444 S450	L435-K446 PolarHBondContact O-NZ 3.02Å; I437-K446 WeakPolarHBondContact O-CB 3.45Å; I437-K446 PolarHBondContact O-N 2.96Å; F438-K446 WeakPolarHBondContact O-CE 3.47Å; F438-K446 PolarHBondContact O-NZ 2.85Å; C439-K446 HydrophobicContact CB-CD 4.49Å; C439-K446 HydrophobicContact CB-CG 4.09Å; I444-K446 PolarHBondContact O-N 2.63Å; K446-S450 WeakPolarHBondContact CA-OG 3.45Å; K446-S450 WeakPolarHBondContact CB-OG 3.36Å
447	P	94.7	Very high	92.2	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.013	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-53.6	153	162.8	-25.2	34.8	0	0	0	111.2	I413 R445 R449 S450 W613 T614 Q616 Y617	I413-P447 VanDerWaalsContact CD1-CD 3.44Å; I413-P447 HydrophobicContact CD1-CG 3.7Å; I413-P447 HydrophobicContact CG1-CG 4.23Å; R445-P447 VanDerWaalsContact O-CD 3.26Å; R445-P447 WeakPolarHBondContact O-CD 3.37Å; P447-R449 PolarHBondContact O-N 2.77Å; P447-R449 VanDerWaalsContact O-N 3.09Å; P447-S450 VanDerWaalsContact CD-OG 3.25Å; P447-S450 WeakPolarHBondContact CD-OG 3.44Å; P447-S450 WeakPolarHBondContact O-CB 3.09Å; P447-S450 PolarHBondContact O-N 2.94Å; P447-S450 PolarHBondContact O-OG 2.84Å; P447-W613 WeakPolarHBondContact CB-O 3.34Å; P447-T614 WeakPolarHBondContact CG-O 3.28Å; P447-Q616 CarbonylContact C-O 3.54Å; P447-Q616 WeakPolarHBondContact CA-O 3.39Å; P447-Q616 VanDerWaalsContact CB-O 3.29Å; P447-Q616 WeakPolarHBondContact CB-O 3.4Å; P447-Y617 HydrophobicContact CB-CE1 4.39Å; P447-Y617 HydrophobicContact CG-CD1 4.44Å; P447-Y617 HydrophobicContact CG-CE1 3.85Å
448	V	92.7	Very high	92.5	Very high	24 Å²	24	37.9 Å²	37.9	15%	0.145	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-43.6	-169.6	175.9	0	0	0	0	112.9	F586 Q616 Y617 I619	V448-F586 HydrophobicContact CG1-CZ 3.95Å; V448-Q616 PolarHBondContact N-O 3.4Å; V448-Y617 WeakPolarHBondContact CG2-O 3.5Å; V448-I619 HydrophobicContact CG1-CD1 3.74Å; V448-I619 HydrophobicContact CG1-CG1 3.74Å; V448-I619 HydrophobicContact CG2-CG1 4.25Å
449	R	95.1	Very high	92.8	Very high	8 Å²	8	37.6 Å²	37.6	3%	0.03	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	15.2	-176.3	-59.3	-170.1	71.8	168.6	9.3	113.6	P447 K462 F463 G560 E565 F586 W613	P447-R449 PolarHBondContact O-N 2.77Å; P447-R449 VanDerWaalsContact O-N 3.09Å; R449-K462 HydrophobicContact CB-CB 4.45Å; R449-K462 CarbonylContact O-C 3.58Å; R449-K462 WeakPolarHBondContact O-CA 3.36Å; R449-K462 PolarHBondContact O-N 2.99Å; R449-F463 PolarHBondContact O-N 3.34Å; R449-F463 VanDerWaalsContact O-N 3.15Å; R449-G560 PolarHBondContact NH2-O 3.23Å; R449-E565 WeakPolarHBondContact CB-OE1 3.46Å; R449-E565 WeakPolarHBondContact CG-OE1 3.46Å; R449-E565 IonicContact CZ-OE1 3.65Å; R449-E565 IonicContact CZ-OE2 3.01Å; R449-E565 IonicContact NE-OE1 3.24Å; R449-E565 PolarHBondContact NE-OE1 3.25Å; R449-E565 IonicContact NE-OE2 2.64Å; R449-E565 PolarHBondContact NE-OE2 3.05Å; R449-E565 IonicContact NH2-OE1 3.76Å; R449-E565 IonicContact NH2-OE2 3.73Å; R449-E565 PolarHBondContact NH2-OE2 2.76Å; R449-F586 HydrophobicContact CG-CE1 4.37Å; R449-F586 HydrophobicContact CG-CE2 3.84Å; R449-F586 HydrophobicContact CG-CZ 3.74Å; R449-W613 HydrophobicContact CB-CE3 4.07Å; R449-W613 HydrophobicContact CB-CZ3 4.41Å; R449-W613 HydrophobicContact CG-CE3 3.8Å; R449-W613 HydrophobicContact CG-CH2 4.29Å; R449-W613 HydrophobicContact CG-CZ3 3.64Å
450	S	96	Very high	93.2	Very high	7 Å²	7	37.4 Å²	37.4	5%	0.049	20%	0.204	C	C	.	.			trans	-90.5	156.7	-179.2	74.1	0	0	0	0	112.7	K446 P447 I460	K446-S450 WeakPolarHBondContact CA-OG 3.45Å; K446-S450 WeakPolarHBondContact CB-OG 3.36Å; P447-S450 VanDerWaalsContact CD-OG 3.25Å; P447-S450 WeakPolarHBondContact CD-OG 3.44Å; P447-S450 WeakPolarHBondContact O-CB 3.09Å; P447-S450 PolarHBondContact O-N 2.94Å; P447-S450 PolarHBondContact O-OG 2.84Å; S450-I460 WeakPolarHBondContact CA-O 3.32Å; S450-I460 WeakPolarHBondContact CB-O 3.15Å
451	K	95.9	Very high	93.8	Very high	72 Å²	72	36.4 Å²	36.4	31%	0.313	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	146	168.7	-175	176	177	-174.2	0	110.6	C453 C459 I460 F463 N564	K451-C453 PolarHBondContact O-N 3.17Å; K451-C459 WeakPolarHBondContact O-CA 3.1Å; K451-I460 PolarHBondContact N-O 3.23Å; K451-I460 VanDerWaalsContact N-O 3.09Å; K451-I460 PolarHBondContact O-N 3.43Å; K451-F463 HydrophobicContact CB-CB 3.9Å; K451-F463 HydrophobicContact CB-CD1 3.76Å; K451-F463 HydrophobicContact CB-CG 4Å; K451-F463 HydrophobicContact CD-CD1 3.82Å; K451-F463 HydrophobicContact CD-CE1 3.98Å; K451-F463 HydrophobicContact CG-CD1 4.21Å; K451-N564 VanDerWaalsContact CD-CG 3.43Å; K451-N564 WeakPolarHBondContact CD-ND2 3.4Å; K451-N564 WeakPolarHBondContact CD-OD1 3.3Å; K451-N564 WeakPolarHBondContact CE-OD1 3.35Å; K451-N564 PolarHBondContact NZ-OD1 2.62Å
452	H	95.2	Very high	94.2	Very high	40 Å²	40	37.1 Å²	37.1	19%	0.185	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	118.3	168.3	-168.1	81.7	0	0	0	110.4	C442 N457 R458	C442-H452 PolarHBondContact SG-ND1 2.68Å; C442-H452 VanDerWaalsContact SG-ND1 3.45Å; H452-N457 PolarHBondContact CE1-OD1 3.36Å; H452-N457 PolarHBondContact NE2-OD1 3.47Å; H452-R458 PolarHBondContact CE1-N 3.04Å
453	C	95.4	Very high	94.5	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.034	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	117.6	169.5	179.3	0	0	0	0	109.1	K451 V455 C456 N457 R458 I460 F463 C473	K451-C453 PolarHBondContact O-N 3.17Å; C453-V455 VanDerWaalsContact C-N 3.26Å; C453-V455 PolarHBondContact O-N 3.19Å; C453-C456 HydrophobicContact CB-CB 4.2Å; C453-C456 PolarHBondContact SG-N 3.31Å; C453-C456 VanDerWaalsContact SG-N 3.41Å; C453-N457 VanDerWaalsContact O-CA 3.23Å; C453-N457 WeakPolarHBondContact O-CA 3.43Å; C453-N457 PolarHBondContact O-N 3.49Å; C453-R458 PolarHBondContact N-O 3.4Å; C453-R458 PolarHBondContact O-N 2.64Å; C453-I460 HydrophobicContact CB-CG1 4.2Å; C453-F463 HydrophobicContact CB-CE2 3.99Å; C453-F463 HydrophobicContact CB-CZ 4.45Å; C453-C473 PolarHBondContact SG-SG 3.41Å
454	G	90.8	Very high	94.8	Very high	68 Å²	68	36.8 Å²	36.8	70%	0.701	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-28.5	177.1	0	0	0	0	0	113.9
455	V	89.9	Confident	95	Very high	86 Å²	86	38.5 Å²	38.5	52%	0.521	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-49.1	-179.7	-176.3	0	0	0	0	111.6	C453 N457	C453-V455 VanDerWaalsContact C-N 3.26Å; C453-V455 PolarHBondContact O-N 3.19Å; V455-N457 PolarHBondContact O-N 3.01Å
456	C	91.6	Very high	95.1	Very high	44 Å²	44	36.8 Å²	36.8	30%	0.297	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-8.7	177.5	-66.2	0	0	0	0	113.3	C453 R458 H466 C473	C453-C456 HydrophobicContact CB-CB 4.2Å; C453-C456 PolarHBondContact SG-N 3.31Å; C453-C456 VanDerWaalsContact SG-N 3.41Å; C456-R458 WeakPolarHBondContact O-CG 3.47Å; C456-R458 PolarHBondContact O-N 3.44Å; C456-H466 PolarHBondContact SG-CE1 3.08Å; C456-H466 PolarHBondContact SG-ND1 3.48Å; C456-H466 VanDerWaalsContact SG-ND1 3.36Å; C456-C473 PolarHBondContact SG-SG 3.02Å
457	N	91.6	Very high	95.2	Very high	92 Å²	92	34.3 Å²	34.3	49%	0.492	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	40.6	-172.5	-159.7	27.8	0	0	0	114.1	T441 H452 C453 V455	T441-N457 WeakPolarHBondContact CG2-OD1 3.37Å; H452-N457 PolarHBondContact CE1-OD1 3.36Å; H452-N457 PolarHBondContact NE2-OD1 3.47Å; C453-N457 VanDerWaalsContact O-CA 3.23Å; C453-N457 WeakPolarHBondContact O-CA 3.43Å; C453-N457 PolarHBondContact O-N 3.49Å; V455-N457 PolarHBondContact O-N 3.01Å
458	R	94.8	Very high	95.1	Very high	133 Å²	133	36.1 Å²	36.1	50%	0.502	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	146.6	-176.9	-68.5	177.3	-171	-159.5	0.1	110.9	I412 H452 C453 C456 I460	I412-R458 HydrophobicContact CG2-CB 4.4Å; H452-R458 PolarHBondContact CE1-N 3.04Å; C453-R458 PolarHBondContact N-O 3.4Å; C453-R458 PolarHBondContact O-N 2.64Å; C456-R458 WeakPolarHBondContact O-CG 3.47Å; C456-R458 PolarHBondContact O-N 3.44Å; R458-I460 HydrophobicContact CB-CD1 4.21Å
459	C	97.3	Very high	95	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	128	168.1	-74.7	0	0	0	0	111.1	I413 C439 C442 I444 K451	I413-C459 HydrophobicContact CB-CB 4.47Å; I413-C459 HydrophobicContact CD1-CB 3.85Å; I413-C459 PolarHBondContact N-O 3.07Å; C439-C459 PolarHBondContact SG-SG 2.8Å; C442-C459 PolarHBondContact SG-N 3.39Å; I444-C459 HydrophobicContact CD1-CB 3.69Å; K451-C459 WeakPolarHBondContact O-CA 3.1Å
460	I	98.2	Very high	94.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.8	-178.9	-49.2	-53.9	0	0	0	108.7	P410 G411 I412 S450 K451 C453 R458 F463 C473	P410-I460 HydrophobicContact CB-CG2 4.1Å; P410-I460 HydrophobicContact CG-CD1 4.02Å; P410-I460 HydrophobicContact CG-CG2 4.32Å; G411-I460 CarbonylContact O-C 3.47Å; G411-I460 WeakPolarHBondContact O-CA 3.49Å; I412-I460 HydrophobicContact CG1-CD1 3.68Å; S450-I460 WeakPolarHBondContact CA-O 3.32Å; S450-I460 WeakPolarHBondContact CB-O 3.15Å; K451-I460 PolarHBondContact N-O 3.23Å; K451-I460 VanDerWaalsContact N-O 3.09Å; K451-I460 PolarHBondContact O-N 3.43Å; C453-I460 HydrophobicContact CB-CG1 4.2Å; R458-I460 HydrophobicContact CB-CD1 4.21Å; I460-F463 HydrophobicContact CB-CB 4.19Å; I460-F463 HydrophobicContact CB-CD2 3.78Å; I460-F463 HydrophobicContact CB-CG 4.42Å; I460-F463 HydrophobicContact CG1-CD2 4.03Å; I460-F463 HydrophobicContact CG2-CD2 4.15Å; I460-C473 HydrophobicContact CD1-CB 4.47Å; I460-C473 HydrophobicContact CG1-CB 4.07Å; I460-C473 HydrophobicContact CG2-CB 4.45Å
461	A	97.9	Very high	94.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	141.1	174.4	0	0	0	0	0	111.4	G411 I413 F463 A476 W613 T614	G411-A461 WeakPolarHBondContact O-CB 3.39Å; G411-A461 PolarHBondContact O-N 2.96Å; I413-A461 HydrophobicContact CG1-CB 4.33Å; A461-F463 PolarHBondContact O-N 3.48Å; A461-A476 HydrophobicContact CB-CB 4.1Å; A461-A476 WeakPolarHBondContact O-CB 3.29Å; A461-A476 PolarHBondContact O-N 3.5Å; A461-W613 HydrophobicContact CB-CB 4.08Å; A461-W613 WeakPolarHBondContact CB-O 3.27Å; A461-T614 HydrophobicContact CB-CG2 3.71Å
462	K	97.2	Very high	94.5	Very high	40 Å²	40	36.8 Å²	36.8	17%	0.174	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.4	51	-174	-162.5	-179.8	175.5	-177.8	0	111.3	R449 D464 G475 A476 T562 W613	R449-K462 HydrophobicContact CB-CB 4.45Å; R449-K462 CarbonylContact O-C 3.58Å; R449-K462 WeakPolarHBondContact O-CA 3.36Å; R449-K462 PolarHBondContact O-N 2.99Å; K462-D464 PolarHBondContact O-N 3.48Å; K462-G475 WeakPolarHBondContact O-CA 3.17Å; K462-A476 HydrophobicContact CB-CB 3.84Å; K462-T562 HydrophobicContact CG-CG2 3.73Å; K462-W613 HydrophobicContact CB-CB 4.16Å; K462-W613 HydrophobicContact CB-CG 4.06Å; K462-W613 HydrophobicContact CD-CG 4.34Å
463	F	98.1	Very high	94.6	Very high	15 Å²	15	34.9 Å²	34.9	7%	0.066	20%	0.197	C	C	.	.			trans	-64.3	122.8	-172.9	176.5	-103.2	0	0	0	110.5	R449 K451 C453 I460 A461 C473 T562 N564	R449-F463 PolarHBondContact O-N 3.34Å; R449-F463 VanDerWaalsContact O-N 3.15Å; K451-F463 HydrophobicContact CB-CB 3.9Å; K451-F463 HydrophobicContact CB-CD1 3.76Å; K451-F463 HydrophobicContact CB-CG 4Å; K451-F463 HydrophobicContact CD-CD1 3.82Å; K451-F463 HydrophobicContact CD-CE1 3.98Å; K451-F463 HydrophobicContact CG-CD1 4.21Å; C453-F463 HydrophobicContact CB-CE2 3.99Å; C453-F463 HydrophobicContact CB-CZ 4.45Å; I460-F463 HydrophobicContact CB-CB 4.19Å; I460-F463 HydrophobicContact CB-CD2 3.78Å; I460-F463 HydrophobicContact CB-CG 4.42Å; I460-F463 HydrophobicContact CG1-CD2 4.03Å; I460-F463 HydrophobicContact CG2-CD2 4.15Å; A461-F463 PolarHBondContact O-N 3.48Å; F463-C473 HydrophobicContact CE2-CB 4.38Å; F463-T562 WeakPolarHBondContact O-CB 3.48Å; F463-T562 PolarHBondContact O-OG1 3.18Å; F463-N564 HydrophobicContact CD1-CB 3.64Å; F463-N564 HydrophobicContact CE1-CB 3.99Å
464	D	98.3	Very high	94.8	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	20%	0.195	C	C	.	.			trans	-93	-64.7	174.4	-166.1	73.8	0	0	0	111.2	K462 V474 H479 Q552 T562 T563 N564	K462-D464 PolarHBondContact O-N 3.48Å; D464-V474 HydrophobicContact CB-CB 4.26Å; D464-V474 HydrophobicContact CB-CG1 4.1Å; D464-V474 WeakPolarHBondContact CB-O 3.45Å; D464-V474 PolarHBondContact N-O 3.05Å; D464-H479 VanDerWaalsContact CG-CE1 3.45Å; D464-H479 IonicContact OD1-CE1 3.94Å; D464-H479 PolarHBondContact OD1-CE1 3.37Å; D464-Q552 PolarHBondContact OD2-NE2 3.48Å; D464-T562 VanDerWaalsContact OD1-CA 3.29Å; D464-T562 WeakPolarHBondContact OD1-CA 3.28Å; D464-T562 VanDerWaalsContact OD1-CB 3.29Å; D464-T562 WeakPolarHBondContact OD1-CB 3.48Å; D464-T563 PolarHBondContact OD1-N 3.04Å; D464-T563 PolarHBondContact OD1-OG1 3.01Å; D464-T563 PolarHBondContact OD2-OG1 3.12Å; D464-N564 WeakPolarHBondContact O-CB 3.37Å; D464-N564 PolarHBondContact O-N 2.95Å
465	H	97	Very high	95.1	Very high	43 Å²	43	31.4 Å²	31.4	20%	0.199	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	169.9	174.2	63.8	-73.7	0	0	0	110.5	C467 V474 F482	H465-C467 WeakPolarHBondContact NE2-CB 3.32Å; H465-V474 PolarHBondContact N-O 3.45Å; H465-V474 PolarHBondContact O-N 3.26Å; H465-F482 AromaticContact CE1-CE1 3.67Å; H465-F482 AromaticContact CE1-CZ 3.71Å; H465-F482 AromaticContact NE2-CZ 3.79Å
466	H	96.1	Very high	95.5	Very high	36 Å²	36	29.4 Å²	29.4	17%	0.167	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.3	161.7	-174.2	90.7	0	0	0	108.2	C456 P468 C473	C456-H466 PolarHBondContact SG-CE1 3.08Å; C456-H466 PolarHBondContact SG-ND1 3.48Å; C456-H466 VanDerWaalsContact SG-ND1 3.36Å; H466-P468 VanDerWaalsContact O-CD 3.32Å; H466-P468 WeakPolarHBondContact O-CD 3.47Å; H466-C473 PolarHBondContact ND1-SG 3.21Å; H466-C473 VanDerWaalsContact ND1-SG 3.4Å
467	C	94.8	Very high	95.7	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.02	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	107.9	-173.7	-170.5	0	0	0	0	111.2	H465 W469 V470 G471 N472 V474 F482	H465-C467 WeakPolarHBondContact NE2-CB 3.32Å; C467-W469 PolarHBondContact O-N 3.15Å; C467-V470 HydrophobicContact CB-CB 4.19Å; C467-V470 HydrophobicContact CB-CG2 4.48Å; C467-V470 PolarHBondContact O-N 3.12Å; C467-G471 PolarHBondContact O-N 3.16Å; C467-N472 PolarHBondContact N-O 2.93Å; C467-V474 HydrophobicContact CB-CG2 3.9Å; C467-F482 HydrophobicContact CB-CE2 4.4Å
468	P	92.3	Very high	96	Very high	40 Å²	40	24.5 Å²	24.5	26%	0.26	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.5	178	-24.2	36.2	0	0	0	113	P359 H466 V470	P359-P468 HydrophobicContact CB-CB 3.94Å; P359-P468 HydrophobicContact CG-CB 3.99Å; H466-P468 VanDerWaalsContact O-CD 3.32Å; H466-P468 WeakPolarHBondContact O-CD 3.47Å; P468-V470 VanDerWaalsContact C-N 3.28Å; P468-V470 PolarHBondContact O-N 3.29Å
469	W	91.2	Very high	96.2	Very high	77 Å²	77	18.5 Å²	18.5	29%	0.292	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.2	-177.9	-54	102.9	0	0	0	114.3	P359 L360 I362 C467	P359-W469 HydrophobicContact CB-CD2 4Å; P359-W469 HydrophobicContact CB-CE3 3.8Å; P359-W469 HydrophobicContact CB-CH2 4.08Å; P359-W469 HydrophobicContact CB-CZ2 4.24Å; P359-W469 HydrophobicContact CB-CZ3 3.85Å; P359-W469 WeakPolarHBondContact O-CZ3 3.47Å; L360-W469 VanDerWaalsContact CD1-O 3.29Å; L360-W469 WeakPolarHBondContact CD1-O 3.31Å; I362-W469 HydrophobicContact CB-CZ3 4.46Å; I362-W469 HydrophobicContact CG2-CZ3 4.48Å; C467-W469 PolarHBondContact O-N 3.15Å
470	V	91.8	Very high	96.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-19	177	174.3	0	0	0	0	111	S405 W406 C467 P468 N472 F482 Y485	S405-V470 WeakPolarHBondContact O-CG1 3.4Å; W406-V470 VanDerWaalsContact CA-CG1 3.5Å; W406-V470 HydrophobicContact CB-CG1 4.02Å; W406-V470 VanDerWaalsContact N-CG1 3.35Å; C467-V470 HydrophobicContact CB-CB 4.19Å; C467-V470 HydrophobicContact CB-CG2 4.48Å; C467-V470 PolarHBondContact O-N 3.12Å; P468-V470 VanDerWaalsContact C-N 3.28Å; P468-V470 PolarHBondContact O-N 3.29Å; V470-N472 VanDerWaalsContact C-N 3.3Å; V470-N472 HydrophobicContact CG1-CB 4.26Å; V470-F482 HydrophobicContact CG2-CD2 4.13Å; V470-F482 HydrophobicContact CG2-CE2 4.23Å; V470-Y485 HydrophobicContact CG2-CD1 4.14Å; V470-Y485 HydrophobicContact CG2-CE1 3.87Å
471	G	90.7	Very high	96.2	Very high	28 Å²	28	24 Å²	24	29%	0.289	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	26	-177.2	0	0	0	0	0	113.3	C467	C467-G471 PolarHBondContact O-N 3.16Å
472	N	94.9	Very high	96.2	Very high	21 Å²	21	24.3 Å²	24.3	11%	0.112	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	162.3	-179.8	-164.7	9.2	0	0	0	110.7	S405 W406 S408 C467 V470	S405-N472 PolarHBondContact O-ND2 3.37Å; W406-N472 PolarHBondContact O-ND2 3Å; W406-N472 VanDerWaalsContact O-ND2 3.07Å; S408-N472 PolarHBondContact O-ND2 3.42Å; C467-N472 PolarHBondContact N-O 2.93Å; V470-N472 VanDerWaalsContact C-N 3.3Å; V470-N472 HydrophobicContact CG1-CB 4.26Å
473	C	97.5	Very high	96.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	150.2	165.6	-70.9	0	0	0	0	111	P410 C453 C456 I460 F463 H466 N478	P410-C473 HydrophobicContact CB-CB 3.84Å; P410-C473 WeakPolarHBondContact CB-O 3.23Å; P410-C473 HydrophobicContact CG-CB 3.88Å; C453-C473 PolarHBondContact SG-SG 3.41Å; C456-C473 PolarHBondContact SG-SG 3.02Å; I460-C473 HydrophobicContact CD1-CB 4.47Å; I460-C473 HydrophobicContact CG1-CB 4.07Å; I460-C473 HydrophobicContact CG2-CB 4.45Å; F463-C473 HydrophobicContact CE2-CB 4.38Å; H466-C473 PolarHBondContact ND1-SG 3.21Å; H466-C473 VanDerWaalsContact ND1-SG 3.4Å; C473-N478 PolarHBondContact O-ND2 3.37Å; C473-N478 PolarHBondContact O-OD1 3.5Å
474	V	98.3	Very high	96.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.5	166.8	-178.3	0	0	0	0	107	D464 H465 C467 N478 H479 F482	D464-V474 HydrophobicContact CB-CB 4.26Å; D464-V474 HydrophobicContact CB-CG1 4.1Å; D464-V474 WeakPolarHBondContact CB-O 3.45Å; D464-V474 PolarHBondContact N-O 3.05Å; H465-V474 PolarHBondContact N-O 3.45Å; H465-V474 PolarHBondContact O-N 3.26Å; C467-V474 HydrophobicContact CB-CG2 3.9Å; V474-N478 WeakPolarHBondContact CA-OD1 3.36Å; V474-H479 HydrophobicContact CG1-CB 4.01Å; V474-H479 VanDerWaalsContact CG1-CD2 3.5Å; V474-H479 WeakPolarHBondContact CG1-CD2 3.48Å; V474-F482 HydrophobicContact CG1-CB 3.91Å; V474-F482 HydrophobicContact CG1-CD1 3.92Å; V474-F482 HydrophobicContact CG1-CG 3.97Å; V474-F482 HydrophobicContact CG2-CB 4.13Å; V474-F482 HydrophobicContact CG2-CD1 4.17Å; V474-F482 HydrophobicContact CG2-CD2 3.78Å; V474-F482 HydrophobicContact CG2-CE2 4.23Å; V474-F482 HydrophobicContact CG2-CG 3.75Å
475	G	98.2	Very high	96.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-157.2	-163.5	-176.5	0	0	0	0	0	112.6	P410 K462 G477 N478 H479	P410-G475 CarbonylContact O-C 3.58Å; P410-G475 VanDerWaalsContact O-CA 3.26Å; P410-G475 WeakPolarHBondContact O-CA 3.25Å; K462-G475 WeakPolarHBondContact O-CA 3.17Å; G475-G477 PolarHBondContact O-N 3.04Å; G475-N478 PolarHBondContact N-OD1 2.74Å; G475-N478 PolarHBondContact O-N 3.26Å; G475-N478 PolarHBondContact O-OD1 3.21Å; G475-H479 VanDerWaalsContact O-CB 3.31Å; G475-H479 WeakPolarHBondContact O-CB 3.43Å; G475-H479 PolarHBondContact O-N 3.04Å
476	A	97.2	Very high	96.3	Very high	43 Å²	43	20.9 Å²	20.9	36%	0.355	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-40.4	-175.5	0	0	0	0	0	113.8	P410 A461 K462 W613	P410-A476 PolarHBondContact O-N 2.88Å; P410-A476 VanDerWaalsContact O-N 3.08Å; A461-A476 HydrophobicContact CB-CB 4.1Å; A461-A476 WeakPolarHBondContact O-CB 3.29Å; A461-A476 PolarHBondContact O-N 3.5Å; K462-A476 HydrophobicContact CB-CB 3.84Å; A476-W613 HydrophobicContact CB-CB 4.28Å
477	G	96.6	Very high	96.4	Very high	33 Å²	33	23.4 Å²	23.4	34%	0.34	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-18.3	-172.5	0	0	0	0	0	115.7	D409 P410 G475	D409-G477 CarbonylContact O-C 3.42Å; D409-G477 WeakPolarHBondContact O-CA 3.25Å; P410-G477 PolarHBondContact O-N 3Å; G475-G477 PolarHBondContact O-N 3.04Å
478	N	97.9	Very high	96.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.8	-0.4	-172.7	72	-12.5	0	0	0	116.1	S405 C473 V474 G475 R480 Y481 F482	S405-N478 PolarHBondContact O-ND2 3.46Å; S405-N478 VanDerWaalsContact O-ND2 3.1Å; C473-N478 PolarHBondContact O-ND2 3.37Å; C473-N478 PolarHBondContact O-OD1 3.5Å; V474-N478 WeakPolarHBondContact CA-OD1 3.36Å; G475-N478 PolarHBondContact N-OD1 2.74Å; G475-N478 PolarHBondContact O-N 3.26Å; G475-N478 PolarHBondContact O-OD1 3.21Å; N478-R480 VanDerWaalsContact C-N 3.29Å; N478-R480 PolarHBondContact O-N 2.85Å; N478-Y481 HydrophobicContact CB-CD2 4.33Å; N478-Y481 PolarHBondContact O-N 3.12Å; N478-F482 PolarHBondContact O-N 3.33Å; N478-F482 VanDerWaalsContact O-N 3.12Å
479	H	98.2	Very high	96.8	Very high	7 Å²	7	24.3 Å²	24.3	3%	0.032	13%	0.131	C	C	.	.	H	α-helix	trans	-56.7	-39.3	-176.3	-156.8	163	0	0	0	113.1	D464 V474 G475 Y481 F482 M483 F597	D464-H479 VanDerWaalsContact CG-CE1 3.45Å; D464-H479 IonicContact OD1-CE1 3.94Å; D464-H479 PolarHBondContact OD1-CE1 3.37Å; V474-H479 HydrophobicContact CG1-CB 4.01Å; V474-H479 VanDerWaalsContact CG1-CD2 3.5Å; V474-H479 WeakPolarHBondContact CG1-CD2 3.48Å; G475-H479 VanDerWaalsContact O-CB 3.31Å; G475-H479 WeakPolarHBondContact O-CB 3.43Å; G475-H479 PolarHBondContact O-N 3.04Å; H479-Y481 VanDerWaalsContact C-N 3.32Å; H479-Y481 PolarHBondContact O-N 3.21Å; H479-F482 WeakPolarHBondContact O-CB 3.29Å; H479-F482 PolarHBondContact O-N 3.24Å; H479-F482 VanDerWaalsContact O-N 3.11Å; H479-M483 PolarHBondContact O-N 2.85Å; H479-F597 HydrophobicContact CB-CE2 3.9Å; H479-F597 HydrophobicContact CB-CZ 3.89Å; H479-F597 AromaticContact CD2-CZ 3.75Å; H479-F597 AromaticContact CG-CE2 3.6Å; H479-F597 AromaticContact CG-CZ 3.63Å; H479-F597 AromaticContact ND1-CE2 3.68Å
480	R	97.3	Very high	97.1	Very high	86 Å²	86	22 Å²	22	33%	0.325	12%	0.124	S	C	.	.	H	α-helix	trans	-59.6	-39.2	176.2	65.9	-172.7	177.9	-153.4	4.3	113.5	N478 F482 M483 G484 F597 E599	N478-R480 VanDerWaalsContact C-N 3.29Å; N478-R480 PolarHBondContact O-N 2.85Å; R480-F482 VanDerWaalsContact C-N 3.33Å; R480-M483 PolarHBondContact O-N 2.83Å; R480-G484 PolarHBondContact O-N 3.21Å; R480-F597 HydrophobicContact CB-CE1 4.32Å; R480-E599 IonicContact NH1-OE1 2.95Å; R480-E599 PolarHBondContact NH1-OE1 3.23Å; R480-E599 IonicContact NH1-OE2 2.74Å; R480-E599 PolarHBondContact NH1-OE2 2.82Å
481	Y	98.3	Very high	97.4	Very high	31 Å²	31	26.5 Å²	26.5	12%	0.122	14%	0.144	C	C	.	.	H	α-helix	trans	-71.1	-34.2	177.2	-57.7	-63.6	0	0	0	110.9	Y400 K404 S405 N478 H479 M483 G484 Y485	Y400-Y481 HydrophobicContact CE1-CD1 4.33Å; Y400-Y481 HydrophobicContact CE1-CE1 4.14Å; K404-Y481 HydrophobicContact CB-CD1 3.63Å; K404-Y481 HydrophobicContact CB-CD2 3.72Å; K404-Y481 HydrophobicContact CB-CE1 4.12Å; K404-Y481 HydrophobicContact CB-CE2 4.21Å; K404-Y481 HydrophobicContact CB-CG 3.42Å; K404-Y481 VanDerWaalsContact CB-CG 3.42Å; K404-Y481 WeakPolarHBondContact CE-OH 3.47Å; K404-Y481 HydrophobicContact CG-CD1 4.02Å; K404-Y481 HydrophobicContact CG-CE1 4.09Å; K404-Y481 HydrophobicContact CG-CG 4.29Å; S405-Y481 WeakPolarHBondContact OG-CB 3.21Å; S405-Y481 PolarHBondContact OG-O 3.14Å; N478-Y481 HydrophobicContact CB-CD2 4.33Å; N478-Y481 PolarHBondContact O-N 3.12Å; H479-Y481 VanDerWaalsContact C-N 3.32Å; H479-Y481 PolarHBondContact O-N 3.21Å; Y481-M483 VanDerWaalsContact C-N 3.34Å; Y481-G484 PolarHBondContact O-N 3.4Å; Y481-Y485 VanDerWaalsContact O-CB 3.24Å; Y481-Y485 WeakPolarHBondContact O-CB 3.03Å; Y481-Y485 PolarHBondContact O-N 2.96Å
482	F	98.3	Very high	97.8	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.026	13%	0.13	C	C	.	.	H	α-helix	trans	-63.6	-41.9	174.1	177.9	-105.9	0	0	0	111.2	S405 H465 C467 V470 V474 N478 H479 R480 Y485 L486 Q552	S405-F482 VanDerWaalsContact OG-CA 3.29Å; S405-F482 WeakPolarHBondContact OG-CA 3.49Å; S405-F482 PolarHBondContact OG-N 3.26Å; H465-F482 AromaticContact CE1-CE1 3.67Å; H465-F482 AromaticContact CE1-CZ 3.71Å; H465-F482 AromaticContact NE2-CZ 3.79Å; C467-F482 HydrophobicContact CB-CE2 4.4Å; V470-F482 HydrophobicContact CG2-CD2 4.13Å; V470-F482 HydrophobicContact CG2-CE2 4.23Å; V474-F482 HydrophobicContact CG1-CB 3.91Å; V474-F482 HydrophobicContact CG1-CD1 3.92Å; V474-F482 HydrophobicContact CG1-CG 3.97Å; V474-F482 HydrophobicContact CG2-CB 4.13Å; V474-F482 HydrophobicContact CG2-CD1 4.17Å; V474-F482 HydrophobicContact CG2-CD2 3.78Å; V474-F482 HydrophobicContact CG2-CE2 4.23Å; V474-F482 HydrophobicContact CG2-CG 3.75Å; N478-F482 PolarHBondContact O-N 3.33Å; N478-F482 VanDerWaalsContact O-N 3.12Å; H479-F482 WeakPolarHBondContact O-CB 3.29Å; H479-F482 PolarHBondContact O-N 3.24Å; H479-F482 VanDerWaalsContact O-N 3.11Å; R480-F482 VanDerWaalsContact C-N 3.33Å; F482-Y485 AromaticContact CD2-CD1 3.96Å; F482-Y485 HydrophobicContact CD2-CD1 3.96Å; F482-Y485 HydrophobicContact CD2-CE1 4.49Å; F482-Y485 HydrophobicContact CE2-CD1 4.11Å; F482-Y485 HydrophobicContact CE2-CE1 4.24Å; F482-Y485 WeakPolarHBondContact O-CB 3.5Å; F482-Y485 PolarHBondContact O-N 3.17Å; F482-L486 HydrophobicContact CD1-CD1 4.25Å; F482-L486 HydrophobicContact CE1-CD1 3.63Å; F482-L486 HydrophobicContact CE1-CG 4.19Å; F482-L486 HydrophobicContact CE2-CD2 4.39Å; F482-L486 HydrophobicContact CE2-CG 4.43Å; F482-L486 HydrophobicContact CZ-CD1 3.87Å; F482-L486 HydrophobicContact CZ-CD2 4.16Å; F482-L486 HydrophobicContact CZ-CG 4.1Å; F482-L486 WeakPolarHBondContact O-CG 3.35Å; F482-L486 PolarHBondContact O-N 2.87Å; F482-Q552 HydrophobicContact CE1-CG 4.37Å
483	M	98.3	Very high	97.9	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.02	13%	0.125	C	C	.	.	H	α-helix	trans	-64.8	-44.3	174.3	-66.7	-53.1	-69	0	0	112.5	H479 R480 Y481 Y485 L486 F487 L549 Q552 M553 I556 F597 F598	H479-M483 PolarHBondContact O-N 2.85Å; R480-M483 PolarHBondContact O-N 2.83Å; Y481-M483 VanDerWaalsContact C-N 3.34Å; M483-Y485 VanDerWaalsContact C-N 3.27Å; M483-Y485 PolarHBondContact O-N 3.49Å; M483-L486 PolarHBondContact O-N 3.47Å; M483-L486 HydrophobicContact SD-CD1 4.41Å; M483-F487 WeakPolarHBondContact O-CB 3.27Å; M483-F487 PolarHBondContact O-N 3.13Å; M483-L549 HydrophobicContact CE-CD1 3.61Å; M483-Q552 HydrophobicContact CE-CB 3.7Å; M483-Q552 HydrophobicContact SD-CB 3.51Å; M483-Q552 VanDerWaalsContact SD-CB 3.51Å; M483-Q552 HydrophobicContact SD-CG 4.24Å; M483-M553 HydrophobicContact CE-CB 4.41Å; M483-M553 HydrophobicContact CE-CE 4.07Å; M483-I556 HydrophobicContact CE-CD1 3.93Å; M483-I556 HydrophobicContact CG-CD1 3.73Å; M483-I556 HydrophobicContact SD-CD1 3.7Å; M483-F597 HydrophobicContact CB-CE1 4.31Å; M483-F597 HydrophobicContact CG-CE1 3.76Å; M483-F597 HydrophobicContact CG-CZ 3.71Å; M483-F598 HydrophobicContact CB-CE1 4.41Å; M483-F598 HydrophobicContact CB-CZ 4.44Å
484	G	98.1	Very high	97.9	Very high	11 Å²	11	26.8 Å²	26.8	11%	0.113	14%	0.143	C	C	.	.	H	α-helix	trans	-59.5	-39.8	172.8	0	0	0	0	0	112	R480 Y481 F487 F488	R480-G484 PolarHBondContact O-N 3.21Å; Y481-G484 PolarHBondContact O-N 3.4Å; G484-F487 PolarHBondContact O-N 3.41Å; G484-F488 WeakPolarHBondContact O-CD2 3.33Å; G484-F488 PolarHBondContact O-N 3.14Å
485	Y	98.1	Very high	97.9	Very high	7 Å²	7	29.3 Å²	29.3	3%	0.027	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-48.3	176.4	156.9	-110.6	0	0	0	111.5	Y363 L398 F402 V470 Y481 F482 M483 F487 L489	Y363-Y485 VanDerWaalsContact CD2-OH 3.29Å; Y363-Y485 WeakPolarHBondContact CD2-OH 3.35Å; Y363-Y485 AromaticContact CE2-CE2 3.57Å; Y363-Y485 HydrophobicContact CE2-CE2 3.57Å; Y363-Y485 AromaticContact CE2-CZ 3.61Å; Y363-Y485 WeakPolarHBondContact CE2-OH 3.41Å; Y363-Y485 AromaticContact CZ-CE2 3.74Å; Y363-Y485 VanDerWaalsContact OH-CE2 3.31Å; Y363-Y485 WeakPolarHBondContact OH-CE2 3.49Å; L398-Y485 HydrophobicContact CD1-CD2 3.76Å; L398-Y485 HydrophobicContact CD1-CE2 4.14Å; F402-Y485 HydrophobicContact CB-CD2 3.85Å; F402-Y485 HydrophobicContact CB-CE2 4.32Å; F402-Y485 HydrophobicContact CD2-CD2 4.08Å; F402-Y485 AromaticContact CD2-CE2 3.85Å; F402-Y485 HydrophobicContact CD2-CE2 3.85Å; F402-Y485 HydrophobicContact CG-CD2 4.46Å; V470-Y485 HydrophobicContact CG2-CD1 4.14Å; V470-Y485 HydrophobicContact CG2-CE1 3.87Å; Y481-Y485 VanDerWaalsContact O-CB 3.24Å; Y481-Y485 WeakPolarHBondContact O-CB 3.03Å; Y481-Y485 PolarHBondContact O-N 2.96Å; F482-Y485 AromaticContact CD2-CD1 3.96Å; F482-Y485 HydrophobicContact CD2-CD1 3.96Å; F482-Y485 HydrophobicContact CD2-CE1 4.49Å; F482-Y485 HydrophobicContact CE2-CD1 4.11Å; F482-Y485 HydrophobicContact CE2-CE1 4.24Å; F482-Y485 WeakPolarHBondContact O-CB 3.5Å; F482-Y485 PolarHBondContact O-N 3.17Å; M483-Y485 VanDerWaalsContact C-N 3.27Å; M483-Y485 PolarHBondContact O-N 3.49Å; Y485-F487 VanDerWaalsContact C-N 3.34Å; Y485-F487 PolarHBondContact O-N 3.27Å; Y485-L489 HydrophobicContact CE2-CB 4.43Å; Y485-L489 HydrophobicContact CE2-CD2 3.89Å; Y485-L489 WeakPolarHBondContact O-CB 3.24Å; Y485-L489 PolarHBondContact O-N 3.3Å; Y485-L489 WeakPolarHBondContact OH-CD2 3.49Å
486	L	98.2	Very high	97.8	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.026	15%	0.152	C	C	.	.	H	α-helix	trans	-61.3	-42.8	175.8	-67.6	-177.7	0	0	0	111.9	F482 M483 L489 L490 V545 L548 L549 Q552	F482-L486 HydrophobicContact CD1-CD1 4.25Å; F482-L486 HydrophobicContact CE1-CD1 3.63Å; F482-L486 HydrophobicContact CE1-CG 4.19Å; F482-L486 HydrophobicContact CE2-CD2 4.39Å; F482-L486 HydrophobicContact CE2-CG 4.43Å; F482-L486 HydrophobicContact CZ-CD1 3.87Å; F482-L486 HydrophobicContact CZ-CD2 4.16Å; F482-L486 HydrophobicContact CZ-CG 4.1Å; F482-L486 WeakPolarHBondContact O-CG 3.35Å; F482-L486 PolarHBondContact O-N 2.87Å; M483-L486 PolarHBondContact O-N 3.47Å; M483-L486 HydrophobicContact SD-CD1 4.41Å; L486-L489 PolarHBondContact O-N 3.22Å; L486-L490 PolarHBondContact O-N 3.07Å; L486-V545 HydrophobicContact CD2-CG1 4.38Å; L486-V545 WeakPolarHBondContact O-CG1 3.43Å; L486-L548 HydrophobicContact CD1-CB 4.43Å; L486-L549 HydrophobicContact CB-CB 4.29Å; L486-L549 HydrophobicContact CB-CD1 3.96Å; L486-Q552 HydrophobicContact CD1-CG 4.46Å
487	F	98.3	Very high	97.9	Very high	90 Å²	90	28.9 Å²	28.9	40%	0.395	14%	0.144	S	C	.	.	H	α-helix	trans	-61	-58.6	178.8	179	-94.1	0	0	0	112	M483 G484 Y485 L489 L490 F491	M483-F487 WeakPolarHBondContact O-CB 3.27Å; M483-F487 PolarHBondContact O-N 3.13Å; G484-F487 PolarHBondContact O-N 3.41Å; Y485-F487 VanDerWaalsContact C-N 3.34Å; Y485-F487 PolarHBondContact O-N 3.27Å; F487-L489 PolarHBondContact O-N 3.22Å; F487-L490 WeakPolarHBondContact O-CB 3.46Å; F487-L490 PolarHBondContact O-N 2.89Å; F487-L490 VanDerWaalsContact O-N 3.1Å; F487-F491 HydrophobicContact CD1-CD2 4.24Å; F487-F491 HydrophobicContact CD1-CE2 4.35Å; F487-F491 HydrophobicContact CD2-CE2 4.15Å; F487-F491 AromaticContact CE1-CD2 3.91Å; F487-F491 HydrophobicContact CE1-CD2 3.91Å; F487-F491 AromaticContact CE1-CE2 3.71Å; F487-F491 HydrophobicContact CE1-CE2 3.71Å; F487-F491 HydrophobicContact CE2-CD2 4.25Å; F487-F491 AromaticContact CE2-CE2 3.5Å; F487-F491 HydrophobicContact CE2-CE2 3.5Å; F487-F491 VanDerWaalsContact CE2-CE2 3.5Å; F487-F491 HydrophobicContact CE2-CZ 4.35Å; F487-F491 AromaticContact CZ-CD2 3.92Å; F487-F491 HydrophobicContact CZ-CD2 3.92Å; F487-F491 AromaticContact CZ-CE2 3.24Å; F487-F491 HydrophobicContact CZ-CE2 3.24Å; F487-F491 AromaticContact CZ-CZ 3.9Å; F487-F491 HydrophobicContact CZ-CZ 3.9Å; F487-F491 WeakPolarHBondContact O-CD2 3.42Å; F487-F491 PolarHBondContact O-N 2.85Å
488	F	98.5	Very high	97.9	Very high	54 Å²	54	32 Å²	32	24%	0.237	15%	0.146	C	C	.	.	H	α-helix	trans	-69	-22.3	-178.9	-66.1	-64.7	0	0	0	112.7	N394 A397 L398 N401 G484 M492	N394-F488 PolarHBondContact ND2-O 3.3Å; N394-F488 WeakPolarHBondContact OD1-CD1 3.4Å; N394-F488 PolarHBondContact OD1-O 3Å; A397-F488 HydrophobicContact CB-CD1 3.77Å; A397-F488 HydrophobicContact CB-CD2 3.77Å; A397-F488 HydrophobicContact CB-CE1 3.72Å; A397-F488 HydrophobicContact CB-CE2 3.76Å; A397-F488 HydrophobicContact CB-CG 3.8Å; A397-F488 HydrophobicContact CB-CZ 3.73Å; L398-F488 HydrophobicContact CB-CB 3.89Å; L398-F488 HydrophobicContact CD1-CB 4.35Å; N401-F488 WeakPolarHBondContact ND2-CD2 3.43Å; N401-F488 WeakPolarHBondContact ND2-CE2 3.49Å; G484-F488 WeakPolarHBondContact O-CD2 3.33Å; G484-F488 PolarHBondContact O-N 3.14Å; F488-M492 WeakPolarHBondContact O-CB 3.5Å; F488-M492 PolarHBondContact O-N 2.89Å
489	L	97.5	Very high	97.9	Very high	8 Å²	8	32 Å²	32	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-68	-44.1	170.5	177.1	52.6	0	0	0	110.9	Y363 L398 Y485 L486 F487 F491 M492 I493 V545	Y363-L489 HydrophobicContact CE2-CD2 4.32Å; L398-L489 HydrophobicContact CD1-CB 3.87Å; Y485-L489 HydrophobicContact CE2-CB 4.43Å; Y485-L489 HydrophobicContact CE2-CD2 3.89Å; Y485-L489 WeakPolarHBondContact O-CB 3.24Å; Y485-L489 PolarHBondContact O-N 3.3Å; Y485-L489 WeakPolarHBondContact OH-CD2 3.49Å; L486-L489 PolarHBondContact O-N 3.22Å; F487-L489 PolarHBondContact O-N 3.22Å; L489-F491 VanDerWaalsContact C-N 3.3Å; L489-F491 PolarHBondContact O-N 3.2Å; L489-M492 WeakPolarHBondContact O-CB 3.48Å; L489-M492 PolarHBondContact O-N 3.31Å; L489-I493 HydrophobicContact CD1-CD1 3.96Å; L489-I493 HydrophobicContact CD1-CG1 4.18Å; L489-I493 HydrophobicContact CG-CD1 3.94Å; L489-I493 WeakPolarHBondContact O-CD1 3.38Å; L489-I493 VanDerWaalsContact O-CG1 3.26Å; L489-I493 WeakPolarHBondContact O-CG1 3.37Å; L489-I493 PolarHBondContact O-N 2.99Å; L489-V545 HydrophobicContact CB-CG1 4.39Å; L489-V545 HydrophobicContact CD2-CG1 4.27Å; L489-V545 HydrophobicContact CD2-CG2 3.72Å; L489-V545 HydrophobicContact CG-CG1 4.17Å; L489-V545 HydrophobicContact CG-CG2 4.1Å
490	L	98	Very high	97.8	Very high	28 Å²	28	31.7 Å²	31.7	15%	0.147	14%	0.144	C	C	.	.	H	α-helix	trans	-59	-44	176.3	-170.1	65.3	0	0	0	111.2	L486 F487 I493 C494 F542 V545 A546 L549	L486-L490 PolarHBondContact O-N 3.07Å; F487-L490 WeakPolarHBondContact O-CB 3.46Å; F487-L490 PolarHBondContact O-N 2.89Å; F487-L490 VanDerWaalsContact O-N 3.1Å; L490-I493 WeakPolarHBondContact O-CB 3.48Å; L490-I493 PolarHBondContact O-N 3Å; L490-C494 PolarHBondContact O-N 3.16Å; L490-C494 PolarHBondContact O-SG 2.92Å; L490-F542 HydrophobicContact CD1-CD2 3.47Å; L490-F542 VanDerWaalsContact CD1-CD2 3.47Å; L490-F542 HydrophobicContact CD1-CE2 3.53Å; L490-F542 HydrophobicContact CD1-CG 4.14Å; L490-F542 HydrophobicContact CD1-CZ 4.23Å; L490-F542 HydrophobicContact CG-CD2 4.41Å; L490-F542 HydrophobicContact CG-CE2 4.13Å; L490-V545 HydrophobicContact CB-CG1 4.18Å; L490-V545 HydrophobicContact CD1-CG1 4.39Å; L490-A546 HydrophobicContact CD1-CB 3.95Å; L490-L549 HydrophobicContact CD2-CD2 4.02Å
491	F	97.9	Very high	97.7	Very high	95 Å²	95	31.7 Å²	31.7	42%	0.417	15%	0.15	S	C	.	.	H	α-helix	trans	-64.2	-41.3	175.1	-85.3	-95.2	0	0	0	113.1	N394 F487 L489 I493 C494 W495	N394-F491 VanDerWaalsContact OD1-CB 3.24Å; N394-F491 WeakPolarHBondContact OD1-CB 3.35Å; F487-F491 HydrophobicContact CD1-CD2 4.24Å; F487-F491 HydrophobicContact CD1-CE2 4.35Å; F487-F491 HydrophobicContact CD2-CE2 4.15Å; F487-F491 AromaticContact CE1-CD2 3.91Å; F487-F491 HydrophobicContact CE1-CD2 3.91Å; F487-F491 AromaticContact CE1-CE2 3.71Å; F487-F491 HydrophobicContact CE1-CE2 3.71Å; F487-F491 HydrophobicContact CE2-CD2 4.25Å; F487-F491 AromaticContact CE2-CE2 3.5Å; F487-F491 HydrophobicContact CE2-CE2 3.5Å; F487-F491 VanDerWaalsContact CE2-CE2 3.5Å; F487-F491 HydrophobicContact CE2-CZ 4.35Å; F487-F491 AromaticContact CZ-CD2 3.92Å; F487-F491 HydrophobicContact CZ-CD2 3.92Å; F487-F491 AromaticContact CZ-CE2 3.24Å; F487-F491 HydrophobicContact CZ-CE2 3.24Å; F487-F491 AromaticContact CZ-CZ 3.9Å; F487-F491 HydrophobicContact CZ-CZ 3.9Å; F487-F491 WeakPolarHBondContact O-CD2 3.42Å; F487-F491 PolarHBondContact O-N 2.85Å; L489-F491 VanDerWaalsContact C-N 3.3Å; L489-F491 PolarHBondContact O-N 3.2Å; F491-I493 PolarHBondContact O-N 3.14Å; F491-C494 WeakPolarHBondContact O-CB 3.48Å; F491-C494 PolarHBondContact O-N 3.05Å; F491-W495 PolarHBondContact O-N 3Å
492	M	97.3	Very high	97.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.9	-39.6	174	179.4	67.7	-170.7	0	0	111.5	M370 Y371 F391 N394 L398 F488 L489 W495 M496	M370-M492 HydrophobicContact CB-CE 4.26Å; Y371-M492 HydrophobicContact CD1-CE 3.95Å; Y371-M492 HydrophobicContact CD2-CE 4.2Å; Y371-M492 HydrophobicContact CE1-CE 3.57Å; Y371-M492 HydrophobicContact CE1-SD 4.19Å; Y371-M492 HydrophobicContact CE2-CE 3.83Å; Y371-M492 HydrophobicContact CG-CE 4.24Å; Y371-M492 VanDerWaalsContact CZ-CE 3.49Å; F391-M492 HydrophobicContact CD2-SD 4.13Å; F391-M492 HydrophobicContact CE2-CE 3.47Å; F391-M492 VanDerWaalsContact CE2-CE 3.47Å; F391-M492 HydrophobicContact CE2-SD 3.39Å; F391-M492 WeakPolarHBondContact CE2-SD 3.41Å; F391-M492 HydrophobicContact CZ-CE 3.68Å; F391-M492 HydrophobicContact CZ-SD 4Å; N394-M492 WeakPolarHBondContact ND2-CA 3.43Å; N394-M492 PolarHBondContact ND2-N 3.36Å; L398-M492 HydrophobicContact CD2-CB 3.76Å; L398-M492 HydrophobicContact CD2-CG 3.89Å; F488-M492 WeakPolarHBondContact O-CB 3.5Å; F488-M492 PolarHBondContact O-N 2.89Å; L489-M492 WeakPolarHBondContact O-CB 3.48Å; L489-M492 PolarHBondContact O-N 3.31Å; M492-W495 WeakPolarHBondContact O-CB 3.31Å; M492-W495 PolarHBondContact O-N 2.65Å; M492-M496 PolarHBondContact O-N 2.87Å
493	I	97.7	Very high	97.5	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-68.8	-40.9	177.2	-65.2	159.2	0	0	0	110.9	L489 L490 F491 W495 M496 I497 S538 H541 F542 V545	L489-I493 HydrophobicContact CD1-CD1 3.96Å; L489-I493 HydrophobicContact CD1-CG1 4.18Å; L489-I493 HydrophobicContact CG-CD1 3.94Å; L489-I493 WeakPolarHBondContact O-CD1 3.38Å; L489-I493 VanDerWaalsContact O-CG1 3.26Å; L489-I493 WeakPolarHBondContact O-CG1 3.37Å; L489-I493 PolarHBondContact O-N 2.99Å; L490-I493 WeakPolarHBondContact O-CB 3.48Å; L490-I493 PolarHBondContact O-N 3Å; F491-I493 PolarHBondContact O-N 3.14Å; I493-W495 VanDerWaalsContact C-N 3.32Å; I493-W495 PolarHBondContact O-N 3.1Å; I493-M496 WeakPolarHBondContact O-CB 3.3Å; I493-M496 PolarHBondContact O-N 3.18Å; I493-I497 HydrophobicContact CG2-CD1 4.05Å; I493-I497 WeakPolarHBondContact O-CG1 3.44Å; I493-I497 PolarHBondContact O-N 3.48Å; I493-S538 WeakPolarHBondContact CG2-O 3.36Å; I493-H541 HydrophobicContact CD1-CB 3.74Å; I493-H541 HydrophobicContact CG1-CB 4.33Å; I493-F542 HydrophobicContact CG2-CB 3.7Å; I493-F542 HydrophobicContact CG2-CD2 4.19Å; I493-F542 HydrophobicContact CG2-CG 4.46Å; I493-V545 HydrophobicContact CD1-CB 4.33Å; I493-V545 HydrophobicContact CD1-CG2 4.08Å
494	C	98.1	Very high	97.4	Very high	54 Å²	54	32.7 Å²	32.7	37%	0.365	16%	0.156	S	C	.	.	H	α-helix	trans	-58.8	-43.3	172.9	-66.2	0	0	0	0	111.9	L490 F491 M496 I497 Y498	L490-C494 PolarHBondContact O-N 3.16Å; L490-C494 PolarHBondContact O-SG 2.92Å; F491-C494 WeakPolarHBondContact O-CB 3.48Å; F491-C494 PolarHBondContact O-N 3.05Å; C494-M496 VanDerWaalsContact C-N 3.35Å; C494-I497 PolarHBondContact O-N 3.22Å; C494-Y498 WeakPolarHBondContact O-CB 3.46Å; C494-Y498 PolarHBondContact O-N 2.6Å
495	W	97.5	Very high	97.2	Very high	52 Å²	52	35.3 Å²	35.3	20%	0.197	18%	0.183	C	C	.	.	H	α-helix	trans	-57.7	-49.5	173.5	-76.3	121.4	0	0	0	110.8	W374 I387 P390 F391 F491 M492 I493 I497 Y498 G499	W374-W495 HydrophobicContact CH2-CB 3.86Å; W374-W495 HydrophobicContact CH2-CD2 4.35Å; W374-W495 AromaticContact CH2-CE3 3.99Å; W374-W495 HydrophobicContact CH2-CE3 3.99Å; W374-W495 HydrophobicContact CH2-CG 4.35Å; W374-W495 HydrophobicContact CZ3-CB 3.74Å; W374-W495 WeakPolarHBondContact CZ3-O 3.33Å; I387-W495 HydrophobicContact CB-CZ3 4.48Å; I387-W495 HydrophobicContact CG2-CE3 4.29Å; I387-W495 HydrophobicContact CG2-CZ3 3.94Å; P390-W495 HydrophobicContact CB-CH2 4.1Å; P390-W495 HydrophobicContact CB-CZ2 3.68Å; F391-W495 HydrophobicContact CB-CD2 4.41Å; F391-W495 HydrophobicContact CD2-CB 3.85Å; F391-W495 AromaticContact CD2-CG 3.93Å; F391-W495 HydrophobicContact CD2-CG 3.93Å; F391-W495 HydrophobicContact CE2-CB 4.38Å; F491-W495 PolarHBondContact O-N 3Å; M492-W495 WeakPolarHBondContact O-CB 3.31Å; M492-W495 PolarHBondContact O-N 2.65Å; I493-W495 VanDerWaalsContact C-N 3.32Å; I493-W495 PolarHBondContact O-N 3.1Å; W495-I497 VanDerWaalsContact C-N 3.32Å; W495-I497 PolarHBondContact O-N 3.44Å; W495-Y498 HydrophobicContact CE3-CD1 4.25Å; W495-Y498 HydrophobicContact CZ3-CD1 4.37Å; W495-Y498 WeakPolarHBondContact O-CB 3.29Å; W495-Y498 PolarHBondContact O-N 3.1Å; W495-Y498 VanDerWaalsContact O-N 3.14Å; W495-G499 PolarHBondContact O-N 3.41Å
496	M	97.7	Very high	97	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.1	-43.4	179.4	-168.2	64.5	-143.5	0	0	112.5	M370 T373 F378 M492 I493 C494 G499 C500 M534 S538	M370-M496 HydrophobicContact CB-CG 4.45Å; M370-M496 HydrophobicContact CB-SD 3.91Å; M370-M496 HydrophobicContact CE-CG 4.4Å; M370-M496 HydrophobicContact CG-CG 3.9Å; M370-M496 HydrophobicContact CG-SD 3.93Å; M370-M496 HydrophobicContact SD-CG 4.33Å; T373-M496 HydrophobicContact CG2-CE 3.51Å; F378-M496 HydrophobicContact CE2-CE 3.47Å; F378-M496 VanDerWaalsContact CE2-CE 3.47Å; F378-M496 HydrophobicContact CE2-SD 3.96Å; F378-M496 HydrophobicContact CZ-CE 3.61Å; M492-M496 PolarHBondContact O-N 2.87Å; I493-M496 WeakPolarHBondContact O-CB 3.3Å; I493-M496 PolarHBondContact O-N 3.18Å; C494-M496 VanDerWaalsContact C-N 3.35Å; M496-G499 PolarHBondContact O-N 3.43Å; M496-C500 PolarHBondContact O-N 3.43Å; M496-C500 PolarHBondContact O-SG 3.31Å; M496-M534 HydrophobicContact CE-CB 3.87Å; M496-M534 HydrophobicContact CE-CE 4.43Å; M496-M534 HydrophobicContact CE-CG 4.48Å; M496-S538 WeakPolarHBondContact CG-OG 3.42Å
497	I	97.7	Very high	96.8	Very high	35 Å²	35	44.3 Å²	44.3	18%	0.179	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-47.1	175.1	-72.5	169.7	0	0	0	110.9	I493 C494 W495 G499 C500 I501 F535 V539 F542	I493-I497 HydrophobicContact CG2-CD1 4.05Å; I493-I497 WeakPolarHBondContact O-CG1 3.44Å; I493-I497 PolarHBondContact O-N 3.48Å; C494-I497 PolarHBondContact O-N 3.22Å; W495-I497 VanDerWaalsContact C-N 3.32Å; W495-I497 PolarHBondContact O-N 3.44Å; I497-G499 VanDerWaalsContact C-N 3.34Å; I497-G499 PolarHBondContact O-N 3.42Å; I497-C500 PolarHBondContact O-N 3.43Å; I497-I501 HydrophobicContact CG2-CD1 3.87Å; I497-I501 WeakPolarHBondContact O-CG1 3.26Å; I497-I501 PolarHBondContact O-N 2.84Å; I497-F535 HydrophobicContact CG2-CE2 3.97Å; I497-V539 HydrophobicContact CD1-CG2 4.48Å; I497-F542 HydrophobicContact CD1-CB 4.4Å; I497-F542 HydrophobicContact CD1-CD2 4.48Å
498	Y	97.3	Very high	96.6	Very high	99 Å²	99	40.6 Å²	40.6	39%	0.388	21%	0.213	S	C	.	.	H	α-helix	trans	-60.9	-41.8	177.2	171.1	-98.2	0	0	0	112.2	L382 I387 C494 W495 I501 S502	L382-Y498 HydrophobicContact CD1-CE1 4.35Å; I387-Y498 HydrophobicContact CD1-CE1 3.76Å; I387-Y498 WeakPolarHBondContact CD1-OH 3.35Å; I387-Y498 HydrophobicContact CG1-CE1 4.06Å; I387-Y498 HydrophobicContact CG2-CE1 4.19Å; C494-Y498 WeakPolarHBondContact O-CB 3.46Å; C494-Y498 PolarHBondContact O-N 2.6Å; W495-Y498 HydrophobicContact CE3-CD1 4.25Å; W495-Y498 HydrophobicContact CZ3-CD1 4.37Å; W495-Y498 WeakPolarHBondContact O-CB 3.29Å; W495-Y498 PolarHBondContact O-N 3.1Å; W495-Y498 VanDerWaalsContact O-N 3.14Å; Y498-I501 PolarHBondContact O-N 2.78Å; Y498-S502 WeakPolarHBondContact O-CB 3.16Å; Y498-S502 PolarHBondContact O-N 3.01Å; Y498-S502 PolarHBondContact O-OG 3.48Å
499	G	97.2	Very high	96.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-47.5	175.8	0	0	0	0	0	112.2	F378 W495 M496 I497 I501 S502 Y503	F378-G499 WeakPolarHBondContact CE1-O 3.35Å; W495-G499 PolarHBondContact O-N 3.41Å; M496-G499 PolarHBondContact O-N 3.43Å; I497-G499 VanDerWaalsContact C-N 3.34Å; I497-G499 PolarHBondContact O-N 3.42Å; G499-I501 PolarHBondContact O-N 3.36Å; G499-S502 PolarHBondContact O-N 3.25Å; G499-Y503 WeakPolarHBondContact O-CB 3.08Å; G499-Y503 PolarHBondContact O-N 3.04Å
500	C	97.1	Very high	95.9	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-46.2	175.4	-70.6	0	0	0	0	112.6	M496 I497 S502 Y503 W504 F535	M496-C500 PolarHBondContact O-N 3.43Å; M496-C500 PolarHBondContact O-SG 3.31Å; I497-C500 PolarHBondContact O-N 3.43Å; C500-S502 VanDerWaalsContact C-N 3.33Å; C500-S502 PolarHBondContact O-N 3.25Å; C500-Y503 PolarHBondContact O-N 3.06Å; C500-W504 HydrophobicContact CB-CH2 4.21Å; C500-W504 HydrophobicContact CB-CZ3 4.24Å; C500-W504 VanDerWaalsContact O-CD2 3.29Å; C500-W504 PolarHBondContact O-N 3.06Å; C500-W504 VanDerWaalsContact O-N 3.12Å; C500-F535 HydrophobicContact CB-CB 4.12Å; C500-F535 HydrophobicContact CB-CD2 3.9Å; C500-F535 HydrophobicContact CB-CG 4.48Å
501	I	95.8	Very high	95.6	Very high	85 Å²	85	50 Å²	50	44%	0.436	26%	0.264	S	S	.	.	H	α-helix	trans	-63.1	-42.4	179.1	-67.4	168.2	0	0	0	110.9	I497 Y498 G499 W504 G505 F535	I497-I501 HydrophobicContact CG2-CD1 3.87Å; I497-I501 WeakPolarHBondContact O-CG1 3.26Å; I497-I501 PolarHBondContact O-N 2.84Å; Y498-I501 PolarHBondContact O-N 2.78Å; G499-I501 PolarHBondContact O-N 3.36Å; I501-W504 HydrophobicContact CG1-CE3 4.47Å; I501-W504 HydrophobicContact CG1-CZ3 4.37Å; I501-W504 PolarHBondContact O-N 3.06Å; I501-G505 PolarHBondContact O-N 3.02Å; I501-G505 VanDerWaalsContact O-N 3.08Å; I501-F535 HydrophobicContact CD1-CE2 4.44Å; I501-F535 HydrophobicContact CG1-CE2 4.27Å
502	S	96	Very high	95.2	Very high	21 Å²	21	51.8 Å²	51.8	15%	0.147	27%	0.269	C	S	.	.	H	α-helix	trans	-65.7	-41.5	178.6	-55.5	0	0	0	0	111.6	Y498 G499 C500 W504 G505 L506	Y498-S502 WeakPolarHBondContact O-CB 3.16Å; Y498-S502 PolarHBondContact O-N 3.01Å; Y498-S502 PolarHBondContact O-OG 3.48Å; G499-S502 PolarHBondContact O-N 3.25Å; C500-S502 VanDerWaalsContact C-N 3.33Å; C500-S502 PolarHBondContact O-N 3.25Å; S502-W504 PolarHBondContact O-N 3.16Å; S502-G505 PolarHBondContact O-N 3.49Å; S502-L506 WeakPolarHBondContact O-CG 3.33Å; S502-L506 PolarHBondContact O-N 2.89Å; S502-L506 VanDerWaalsContact O-N 3.11Å
503	Y	96.3	Very high	94.8	Very high	38 Å²	38	58.5 Å²	58.5	15%	0.149	31%	0.31	C	S	.	.	H	α-helix	trans	-58.1	-47.6	175.6	179.9	-83.5	0	0	0	111.7	W377 F378 G499 C500 G505 L506 H507 M531	W377-Y503 HydrophobicContact CB-CD2 4.29Å; W377-Y503 HydrophobicContact CB-CE2 4.31Å; W377-Y503 AromaticContact CD1-CE2 3.67Å; W377-Y503 HydrophobicContact CG-CE2 4.41Å; F378-Y503 HydrophobicContact CD1-CD2 4.42Å; F378-Y503 HydrophobicContact CE1-CD2 4.33Å; F378-Y503 HydrophobicContact CE1-CG 4.34Å; G499-Y503 WeakPolarHBondContact O-CB 3.08Å; G499-Y503 PolarHBondContact O-N 3.04Å; C500-Y503 PolarHBondContact O-N 3.06Å; Y503-G505 VanDerWaalsContact C-N 3.31Å; Y503-G505 PolarHBondContact O-N 3.15Å; Y503-L506 PolarHBondContact O-N 3.43Å; Y503-H507 HydrophobicContact CD1-CB 4.48Å; Y503-H507 AromaticContact CD2-CD2 3.53Å; Y503-H507 HydrophobicContact CE1-CB 4.09Å; Y503-H507 HydrophobicContact CE2-CB 4.44Å; Y503-H507 AromaticContact CE2-CD2 3.55Å; Y503-H507 PolarHBondContact O-N 2.95Å; Y503-M531 HydrophobicContact CD1-CB 4.41Å; Y503-M531 HydrophobicContact CD1-CG 3.55Å; Y503-M531 HydrophobicContact CD2-CG 4.43Å; Y503-M531 HydrophobicContact CE1-CG 3.73Å; Y503-M531 HydrophobicContact CG-CG 3.92Å; Y503-M531 HydrophobicContact CG-SD 4.37Å
504	W	95.3	Very high	94.6	Very high	4 Å²	4	66.6 Å²	66.6	2%	0.015	35%	0.345	C	S	.	.	H	α-helix	trans	-63.7	-36.9	177.2	-64.7	-42	0	0	0	112.5	C500 I501 S502 L506 C508 I524 M531 F532 F535	C500-W504 HydrophobicContact CB-CH2 4.21Å; C500-W504 HydrophobicContact CB-CZ3 4.24Å; C500-W504 VanDerWaalsContact O-CD2 3.29Å; C500-W504 PolarHBondContact O-N 3.06Å; C500-W504 VanDerWaalsContact O-N 3.12Å; I501-W504 HydrophobicContact CG1-CE3 4.47Å; I501-W504 HydrophobicContact CG1-CZ3 4.37Å; I501-W504 PolarHBondContact O-N 3.06Å; S502-W504 PolarHBondContact O-N 3.16Å; W504-L506 PolarHBondContact O-N 3.06Å; W504-C508 HydrophobicContact CB-CB 4.43Å; W504-C508 VanDerWaalsContact CD1-SG 3.58Å; W504-C508 WeakPolarHBondContact O-CB 3.42Å; W504-C508 PolarHBondContact O-N 3.36Å; W504-C508 VanDerWaalsContact O-N 3.14Å; W504-I524 HydrophobicContact CB-CG2 4.1Å; W504-I524 HydrophobicContact CD2-CB 3.87Å; W504-I524 HydrophobicContact CD2-CD1 4.28Å; W504-I524 HydrophobicContact CD2-CG2 4Å; W504-I524 HydrophobicContact CE3-CB 4.46Å; W504-I524 HydrophobicContact CE3-CD1 4.05Å; W504-I524 HydrophobicContact CE3-CG2 4.43Å; W504-I524 HydrophobicContact CG-CB 3.98Å; W504-I524 HydrophobicContact CG-CG2 3.84Å; W504-I524 HydrophobicContact CH2-CD1 3.89Å; W504-I524 HydrophobicContact CZ2-CB 4.3Å; W504-I524 HydrophobicContact CZ2-CD1 4.11Å; W504-I524 HydrophobicContact CZ2-CG1 4.41Å; W504-I524 HydrophobicContact CZ3-CD1 3.87Å; W504-M531 HydrophobicContact CZ2-CB 4.36Å; W504-F532 HydrophobicContact CH2-CD2 4.38Å; W504-F532 HydrophobicContact CZ2-CB 4.29Å; W504-F532 HydrophobicContact CZ2-CD2 4.15Å; W504-F535 HydrophobicContact CH2-CB 3.6Å; W504-F535 AromaticContact CH2-CD1 3.94Å; W504-F535 HydrophobicContact CH2-CD1 3.94Å; W504-F535 AromaticContact CH2-CD2 3.75Å; W504-F535 HydrophobicContact CH2-CD2 3.75Å; W504-F535 HydrophobicContact CH2-CE2 4.36Å; W504-F535 AromaticContact CH2-CG 3.5Å; W504-F535 HydrophobicContact CH2-CG 3.5Å; W504-F535 VanDerWaalsContact CH2-CG 3.5Å; W504-F535 HydrophobicContact CZ2-CB 4.22Å; W504-F535 AromaticContact CZ3-CD2 3.86Å; W504-F535 HydrophobicContact CZ3-CD2 3.86Å; W504-F535 HydrophobicContact CZ3-CE2 4.1Å; W504-F535 HydrophobicContact CZ3-CG 4.07Å
505	G	93.4	Very high	94.3	Very high	66 Å²	66	67.4 Å²	67.4	68%	0.68	35%	0.346	S	S	*	.	H	α-helix	trans	-66	-23.7	176.1	0	0	0	0	0	114.3	I501 S502 Y503	I501-G505 PolarHBondContact O-N 3.02Å; I501-G505 VanDerWaalsContact O-N 3.08Å; S502-G505 PolarHBondContact O-N 3.49Å; Y503-G505 VanDerWaalsContact C-N 3.31Å; Y503-G505 PolarHBondContact O-N 3.15Å
506	L	94.5	Very high	94.1	Very high	107 Å²	107	66.3 Å²	66.3	56%	0.56	35%	0.351	S	S	*	.	H	α-helix	trans	-99.7	-37.3	-177	-69.5	176.2	0	0	0	113.5	D381 S502 Y503 W504	D381-L506 HydrophobicContact CB-CD1 3.73Å; S502-L506 WeakPolarHBondContact O-CG 3.33Å; S502-L506 PolarHBondContact O-N 2.89Å; S502-L506 VanDerWaalsContact O-N 3.11Å; Y503-L506 PolarHBondContact O-N 3.43Å; W504-L506 PolarHBondContact O-N 3.06Å
507	H	94.5	Very high	93.9	Very high	93 Å²	93	71.5 Å²	71.5	43%	0.431	37%	0.374	S	S	.	.	H	α-helix	trans	-113.6	-10.5	-169.3	-64	-71.6	0	0	0	114.5	D381 Y503	D381-H507 IonicContact OD1-CE1 3.11Å; D381-H507 IonicContact OD1-NE2 2.71Å; D381-H507 IonicContact OD2-CD2 2.97Å; D381-H507 IonicContact OD2-CE1 3.15Å; D381-H507 IonicContact OD2-NE2 2.65Å; D381-H507 PolarHBondContact OD2-NE2 3.5Å; Y503-H507 HydrophobicContact CD1-CB 4.48Å; Y503-H507 AromaticContact CD2-CD2 3.53Å; Y503-H507 HydrophobicContact CE1-CB 4.09Å; Y503-H507 HydrophobicContact CE2-CB 4.44Å; Y503-H507 AromaticContact CE2-CD2 3.55Å; Y503-H507 PolarHBondContact O-N 2.95Å
508	C	93.5	Very high	93.7	Very high	12 Å²	12	79.4 Å²	79.4	8%	0.081	40%	0.401	C	S	.	.			trans	-117	127.2	-175.6	-58.3	0	0	0	0	111.9	W504 T510 C527	W504-C508 HydrophobicContact CB-CB 4.43Å; W504-C508 VanDerWaalsContact CD1-SG 3.58Å; W504-C508 WeakPolarHBondContact O-CB 3.42Å; W504-C508 PolarHBondContact O-N 3.36Å; W504-C508 VanDerWaalsContact O-N 3.14Å; C508-T510 HydrophobicContact CB-CG2 4.3Å; C508-T510 PolarHBondContact O-N 2.98Å; C508-C527 WeakPolarHBondContact CA-SG 3.44Å; C508-C527 HydrophobicContact CB-CB 3.7Å; C508-C527 WeakPolarHBondContact CB-SG 3.28Å; C508-C527 WeakPolarHBondContact SG-CB 3.47Å; C508-C527 CovalentContact SG-SG 2.02Å; C508-C527 PolarHBondContact SG-SG 2.93Å
509	E	90.9	Very high	93.5	Very high	187 Å²	187	77 Å²	77	87%	0.874	40%	0.397	S	S	*	.			trans	-72.9	114.8	169	-65.3	-174.5	176.4	0	0	109.3
510	T	91.2	Very high	93.3	Very high	52 Å²	52	79.5 Å²	79.5	32%	0.319	41%	0.407	S	S	.	.			trans	-124.5	141.1	178.2	64.4	0	0	0	0	110.6	C508 Y520 Q523 I524	C508-T510 HydrophobicContact CB-CG2 4.3Å; C508-T510 PolarHBondContact O-N 2.98Å; T510-Y520 HydrophobicContact CG2-CD2 3.94Å; T510-Y520 HydrophobicContact CG2-CE2 3.74Å; T510-Q523 HydrophobicContact CG2-CB 4.42Å; T510-I524 HydrophobicContact CG2-CG2 3.88Å
511	T	91	Very high	93.2	Very high	49 Å²	49	81.7 Å²	81.7	30%	0.301	42%	0.418	S	S	.	.			trans	-117.4	41.8	-176.2	53.9	0	0	0	0	111.4	T513 K514 D515 Q523	T511-T513 VanDerWaalsContact C-N 3.28Å; T511-T513 PolarHBondContact O-N 3.47Å; T511-T513 VanDerWaalsContact O-N 3.16Å; T511-K514 PolarHBondContact O-N 2.87Å; T511-D515 WeakPolarHBondContact CB-OD2 3.25Å; T511-D515 PolarHBondContact O-N 3.4Å; T511-D515 PolarHBondContact OG1-OD2 3.13Å; T511-Q523 PolarHBondContact OG1-NE2 3.48Å; T511-Q523 PolarHBondContact OG1-OE1 3.43Å
512	Y	89.3	Confident	93	Very high	132 Å²	132	81.5 Å²	81.5	52%	0.518	42%	0.421	S	S	.	.	H	α-helix	trans	-50.9	-43.5	-175.4	175.9	-106.1	0	0	0	113.7	K514 G516 F517 Y520	Y512-K514 VanDerWaalsContact C-N 3.25Å; Y512-K514 PolarHBondContact O-N 3.09Å; Y512-G516 WeakPolarHBondContact O-CA 3.35Å; Y512-G516 PolarHBondContact O-N 2.91Å; Y512-G516 VanDerWaalsContact O-N 3.07Å; Y512-F517 HydrophobicContact CE2-CB 4.14Å; Y512-F517 HydrophobicContact CE2-CD2 4.34Å; Y512-Y520 HydrophobicContact CD2-CD2 4.41Å; Y512-Y520 HydrophobicContact CD2-CG 4.07Å
513	T	90.1	Very high	93	Very high	141 Å²	141	82.4 Å²	82.4	87%	0.865	42%	0.423	S	S	*	.	H	α-helix	trans	-66.6	-26.6	-178.8	53.3	0	0	0	0	113.4	T511	T511-T513 VanDerWaalsContact C-N 3.28Å; T511-T513 PolarHBondContact O-N 3.47Å; T511-T513 VanDerWaalsContact O-N 3.16Å
514	K	92.2	Very high	92.9	Very high	171 Å²	171	80.8 Å²	80.8	74%	0.743	42%	0.417	S	S	*	.	H	α-helix	trans	-95.3	-48.3	-176.4	-173.6	-171.9	172.8	-173.5	0	111.9	T511 Y512	T511-K514 PolarHBondContact O-N 2.87Å; Y512-K514 VanDerWaalsContact C-N 3.25Å; Y512-K514 PolarHBondContact O-N 3.09Å
515	D	91.2	Very high	92.8	Very high	71 Å²	71	81.8 Å²	81.8	38%	0.38	43%	0.426	S	S	.	.	H	α-helix	trans	-109.4	-1.6	-166.4	-55.6	-46.5	0	0	0	113.3	T511 T519	T511-D515 WeakPolarHBondContact CB-OD2 3.25Å; T511-D515 PolarHBondContact O-N 3.4Å; T511-D515 PolarHBondContact OG1-OD2 3.13Å; D515-T519 HydrophobicContact CB-CG2 3.58Å; D515-T519 WeakPolarHBondContact O-CB 3.37Å; D515-T519 PolarHBondContact O-OG1 3.18Å
516	G	93.5	Very high	92.8	Very high	30 Å²	30	83.8 Å²	83.8	31%	0.309	43%	0.425	S	S	.	.	H	α-helix	trans	79.5	-175.9	172.1	0	0	0	0	0	115.4	Y512 Y520	Y512-G516 WeakPolarHBondContact O-CA 3.35Å; Y512-G516 PolarHBondContact O-N 2.91Å; Y512-G516 VanDerWaalsContact O-N 3.07Å; G516-Y520 PolarHBondContact O-N 2.97Å; G516-Y520 VanDerWaalsContact O-N 3.07Å
517	F	93.4	Very high	92.8	Very high	108 Å²	108	81.3 Å²	81.3	47%	0.474	42%	0.416	S	S	.	.	H	α-helix	trans	-64.8	-46.9	-169.5	177.3	-104.2	0	0	0	114.2	Y512 T519 Y520 I521	Y512-F517 HydrophobicContact CE2-CB 4.14Å; Y512-F517 HydrophobicContact CE2-CD2 4.34Å; F517-T519 VanDerWaalsContact C-N 3.32Å; F517-T519 PolarHBondContact O-N 3.39Å; F517-Y520 WeakPolarHBondContact O-CB 3.38Å; F517-Y520 PolarHBondContact O-N 3.18Å; F517-I521 HydrophobicContact CD1-CG1 4.37Å; F517-I521 HydrophobicContact CD2-CG1 4.5Å; F517-I521 HydrophobicContact CE1-CD1 4.48Å; F517-I521 HydrophobicContact CE1-CG1 3.9Å; F517-I521 HydrophobicContact CE2-CD1 3.96Å; F517-I521 HydrophobicContact CE2-CG1 4.05Å; F517-I521 HydrophobicContact CZ-CD1 3.82Å; F517-I521 HydrophobicContact CZ-CG1 3.74Å; F517-I521 WeakPolarHBondContact O-CG1 3.37Å; F517-I521 PolarHBondContact O-N 3.12Å
518	W	93.6	Very high	92.8	Very high	201 Å²	201	77.1 Å²	77.1	76%	0.761	40%	0.397	S	S	*	.	H	α-helix	trans	-65.6	-38	-176.8	-64.3	115.4	0	0	0	112.1	Y520 I521 T522	W518-Y520 VanDerWaalsContact C-N 3.35Å; W518-I521 PolarHBondContact O-N 3.07Å; W518-T522 PolarHBondContact O-N 3.19Å; W518-T522 PolarHBondContact O-OG1 3.28Å
519	T	93.7	Very high	92.8	Very high	49 Å²	49	77.9 Å²	77.9	30%	0.301	40%	0.402	S	S	.	.	H	α-helix	trans	-66.6	-37.9	174.1	-47.7	0	0	0	0	111.5	D515 F517 I521 T522 Q523	D515-T519 HydrophobicContact CB-CG2 3.58Å; D515-T519 WeakPolarHBondContact O-CB 3.37Å; D515-T519 PolarHBondContact O-OG1 3.18Å; F517-T519 VanDerWaalsContact C-N 3.32Å; F517-T519 PolarHBondContact O-N 3.39Å; T519-I521 VanDerWaalsContact C-N 3.34Å; T519-I521 PolarHBondContact O-N 3.5Å; T519-T522 WeakPolarHBondContact CA-OG1 3.33Å; T519-T522 PolarHBondContact O-N 3.37Å; T519-T522 PolarHBondContact O-OG1 3.15Å; T519-Q523 HydrophobicContact CG2-CG 4.38Å; T519-Q523 WeakPolarHBondContact O-CB 3.45Å; T519-Q523 WeakPolarHBondContact O-CG 3.47Å; T519-Q523 PolarHBondContact O-N 3.1Å
520	Y	93.5	Very high	93.1	Very high	52 Å²	52	69.5 Å²	69.5	20%	0.204	36%	0.362	C	S	.	.	H	α-helix	trans	-59.6	-44.5	172.4	174.3	-95.1	0	0	0	112	T510 Y512 G516 F517 W518 T522 Q523 I524	T510-Y520 HydrophobicContact CG2-CD2 3.94Å; T510-Y520 HydrophobicContact CG2-CE2 3.74Å; Y512-Y520 HydrophobicContact CD2-CD2 4.41Å; Y512-Y520 HydrophobicContact CD2-CG 4.07Å; G516-Y520 PolarHBondContact O-N 2.97Å; G516-Y520 VanDerWaalsContact O-N 3.07Å; F517-Y520 WeakPolarHBondContact O-CB 3.38Å; F517-Y520 PolarHBondContact O-N 3.18Å; W518-Y520 VanDerWaalsContact C-N 3.35Å; Y520-T522 PolarHBondContact O-N 3.22Å; Y520-Q523 PolarHBondContact O-N 3.02Å; Y520-I524 HydrophobicContact CD1-CD1 4.38Å; Y520-I524 HydrophobicContact CD2-CG2 4.43Å; Y520-I524 HydrophobicContact CE1-CD1 3.91Å; Y520-I524 HydrophobicContact CE1-CG2 4.1Å; Y520-I524 HydrophobicContact CE2-CG2 3.96Å; Y520-I524 WeakPolarHBondContact O-CG1 3.25Å; Y520-I524 PolarHBondContact O-N 3.15Å
521	I	93.9	Very high	93.3	Very high	47 Å²	47	67 Å²	67	24%	0.241	35%	0.347	C	S	.	.	H	α-helix	trans	-62.4	-42.5	177.3	-63.9	-60.1	0	0	0	111.5	F517 W518 T519 I524 A525 F532	F517-I521 HydrophobicContact CD1-CG1 4.37Å; F517-I521 HydrophobicContact CD2-CG1 4.5Å; F517-I521 HydrophobicContact CE1-CD1 4.48Å; F517-I521 HydrophobicContact CE1-CG1 3.9Å; F517-I521 HydrophobicContact CE2-CD1 3.96Å; F517-I521 HydrophobicContact CE2-CG1 4.05Å; F517-I521 HydrophobicContact CZ-CD1 3.82Å; F517-I521 HydrophobicContact CZ-CG1 3.74Å; F517-I521 WeakPolarHBondContact O-CG1 3.37Å; F517-I521 PolarHBondContact O-N 3.12Å; W518-I521 PolarHBondContact O-N 3.07Å; T519-I521 VanDerWaalsContact C-N 3.34Å; T519-I521 PolarHBondContact O-N 3.5Å; I521-I524 HydrophobicContact CD1-CD1 4.04Å; I521-I524 VanDerWaalsContact O-CG1 3.28Å; I521-I524 WeakPolarHBondContact O-CG1 3.4Å; I521-A525 VanDerWaalsContact O-CB 3.26Å; I521-A525 WeakPolarHBondContact O-CB 3.37Å; I521-A525 PolarHBondContact O-N 2.79Å; I521-A525 VanDerWaalsContact O-N 3.13Å; I521-F532 HydrophobicContact CG2-CE2 4.32Å; I521-F532 HydrophobicContact CG2-CZ 4.31Å
522	T	93.2	Very high	93.6	Very high	80 Å²	80	66.9 Å²	66.9	49%	0.491	34%	0.343	S	S	.	.	H	α-helix	trans	-65.6	-41.1	176.9	55.8	0	0	0	0	111.5	W518 T519 Y520 A525 T526	W518-T522 PolarHBondContact O-N 3.19Å; W518-T522 PolarHBondContact O-OG1 3.28Å; T519-T522 WeakPolarHBondContact CA-OG1 3.33Å; T519-T522 PolarHBondContact O-N 3.37Å; T519-T522 PolarHBondContact O-OG1 3.15Å; Y520-T522 PolarHBondContact O-N 3.22Å; T522-A525 PolarHBondContact O-N 2.96Å; T522-T526 VanDerWaalsContact O-CG2 3.28Å; T522-T526 WeakPolarHBondContact O-CG2 3.48Å; T522-T526 PolarHBondContact O-N 2.9Å; T522-T526 PolarHBondContact O-OG1 3.33Å
523	Q	94.7	Very high	93.9	Very high	41 Å²	41	63.8 Å²	63.8	19%	0.192	33%	0.33	C	S	.	.	H	α-helix	trans	-61.2	-47.1	178	-75.8	170.4	-20.5	0	0	113.1	T510 T511 T519 Y520 A525 T526 C527	T510-Q523 HydrophobicContact CG2-CB 4.42Å; T511-Q523 PolarHBondContact OG1-NE2 3.48Å; T511-Q523 PolarHBondContact OG1-OE1 3.43Å; T519-Q523 HydrophobicContact CG2-CG 4.38Å; T519-Q523 WeakPolarHBondContact O-CB 3.45Å; T519-Q523 WeakPolarHBondContact O-CG 3.47Å; T519-Q523 PolarHBondContact O-N 3.1Å; Y520-Q523 PolarHBondContact O-N 3.02Å; Q523-A525 VanDerWaalsContact C-N 3.33Å; Q523-A525 PolarHBondContact O-N 3.48Å; Q523-T526 PolarHBondContact O-N 3.49Å; Q523-T526 PolarHBondContact O-OG1 2.93Å; Q523-T526 VanDerWaalsContact O-OG1 3.1Å; Q523-C527 WeakPolarHBondContact O-CB 3.26Å; Q523-C527 PolarHBondContact O-N 2.89Å
524	I	94.8	Very high	94.2	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-68.8	-34.5	178.8	64.7	177.4	0	0	0	111.9	W504 T510 Y520 I521 S528 F532	W504-I524 HydrophobicContact CB-CG2 4.1Å; W504-I524 HydrophobicContact CD2-CB 3.87Å; W504-I524 HydrophobicContact CD2-CD1 4.28Å; W504-I524 HydrophobicContact CD2-CG2 4Å; W504-I524 HydrophobicContact CE3-CB 4.46Å; W504-I524 HydrophobicContact CE3-CD1 4.05Å; W504-I524 HydrophobicContact CE3-CG2 4.43Å; W504-I524 HydrophobicContact CG-CB 3.98Å; W504-I524 HydrophobicContact CG-CG2 3.84Å; W504-I524 HydrophobicContact CH2-CD1 3.89Å; W504-I524 HydrophobicContact CZ2-CB 4.3Å; W504-I524 HydrophobicContact CZ2-CD1 4.11Å; W504-I524 HydrophobicContact CZ2-CG1 4.41Å; W504-I524 HydrophobicContact CZ3-CD1 3.87Å; T510-I524 HydrophobicContact CG2-CG2 3.88Å; Y520-I524 HydrophobicContact CD1-CD1 4.38Å; Y520-I524 HydrophobicContact CD2-CG2 4.43Å; Y520-I524 HydrophobicContact CE1-CD1 3.91Å; Y520-I524 HydrophobicContact CE1-CG2 4.1Å; Y520-I524 HydrophobicContact CE2-CG2 3.96Å; Y520-I524 WeakPolarHBondContact O-CG1 3.25Å; Y520-I524 PolarHBondContact O-N 3.15Å; I521-I524 HydrophobicContact CD1-CD1 4.04Å; I521-I524 VanDerWaalsContact O-CG1 3.28Å; I521-I524 WeakPolarHBondContact O-CG1 3.4Å; I524-S528 PolarHBondContact O-N 3.23Å; I524-F532 HydrophobicContact CD1-CD2 4.32Å; I524-F532 HydrophobicContact CD1-CE2 4.38Å; I524-F532 HydrophobicContact CG1-CD2 4.23Å; I524-F532 HydrophobicContact CG1-CE2 4.45Å
525	A	93.8	Very high	94.5	Very high	24 Å²	24	51.1 Å²	51.1	20%	0.198	26%	0.263	C	S	.	.	H	α-helix	trans	-70.1	-35.4	178	0	0	0	0	0	112	I521 T522 Q523 P529 F532	I521-A525 VanDerWaalsContact O-CB 3.26Å; I521-A525 WeakPolarHBondContact O-CB 3.37Å; I521-A525 PolarHBondContact O-N 2.79Å; I521-A525 VanDerWaalsContact O-N 3.13Å; T522-A525 PolarHBondContact O-N 2.96Å; Q523-A525 VanDerWaalsContact C-N 3.33Å; Q523-A525 PolarHBondContact O-N 3.48Å; A525-P529 WeakPolarHBondContact O-CA 3.41Å; A525-P529 WeakPolarHBondContact O-CG 3.39Å; A525-F532 HydrophobicContact CB-CB 4.4Å; A525-F532 HydrophobicContact CB-CD1 3.77Å; A525-F532 HydrophobicContact CB-CD2 4.01Å; A525-F532 HydrophobicContact CB-CE1 3.96Å; A525-F532 HydrophobicContact CB-CE2 4.19Å; A525-F532 HydrophobicContact CB-CG 3.79Å; A525-F532 HydrophobicContact CB-CZ 4.17Å
526	T	92.1	Very high	94.7	Very high	109 Å²	109	51.7 Å²	51.7	67%	0.669	27%	0.265	S	S	*	.	H	α-helix	trans	-81.2	-32.3	176	57.9	0	0	0	0	112.8	T522 Q523	T522-T526 VanDerWaalsContact O-CG2 3.28Å; T522-T526 WeakPolarHBondContact O-CG2 3.48Å; T522-T526 PolarHBondContact O-N 2.9Å; T522-T526 PolarHBondContact O-OG1 3.33Å; Q523-T526 PolarHBondContact O-N 3.49Å; Q523-T526 PolarHBondContact O-OG1 2.93Å; Q523-T526 VanDerWaalsContact O-OG1 3.1Å
527	C	93.9	Very high	94.8	Very high	54 Å²	54	51.2 Å²	51.2	37%	0.365	26%	0.256	S	S	.	.	H	α-helix	trans	-63.5	-46.7	179.1	177.6	0	0	0	0	112.4	C508 Q523	C508-C527 WeakPolarHBondContact CA-SG 3.44Å; C508-C527 HydrophobicContact CB-CB 3.7Å; C508-C527 WeakPolarHBondContact CB-SG 3.28Å; C508-C527 WeakPolarHBondContact SG-CB 3.47Å; C508-C527 CovalentContact SG-SG 2.02Å; C508-C527 PolarHBondContact SG-SG 2.93Å; Q523-C527 WeakPolarHBondContact O-CB 3.26Å; Q523-C527 PolarHBondContact O-N 2.89Å
528	S	94.7	Very high	95	Very high	5 Å²	5	46 Å²	46	4%	0.035	23%	0.233	C	C	.	.			trans	-147	93.9	172.7	-179.6	0	0	0	0	110.7	I524 W530 M531 F532	I524-S528 PolarHBondContact O-N 3.23Å; S528-W530 VanDerWaalsContact C-N 3.26Å; S528-W530 PolarHBondContact O-N 3.45Å; S528-M531 PolarHBondContact O-N 2.89Å; S528-M531 VanDerWaalsContact O-N 3.14Å; S528-M531 WeakPolarHBondContact OG-CG 3.22Å; S528-M531 PolarHBondContact OG-N 3.18Å; S528-F532 PolarHBondContact O-N 3.45Å
529	P	94.9	Very high	95.2	Very high	28 Å²	28	39.6 Å²	39.6	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-55.2	-37.7	174.7	-27.3	33.3	0	0	0	113.5	A321 D322 A525 F532 W533	A321-P529 HydrophobicContact CB-CB 3.56Å; A321-P529 WeakPolarHBondContact O-CG 3.41Å; D322-P529 WeakPolarHBondContact OD1-CD 3.39Å; A525-P529 WeakPolarHBondContact O-CA 3.41Å; A525-P529 WeakPolarHBondContact O-CG 3.39Å; P529-F532 PolarHBondContact O-N 2.99Å; P529-W533 WeakPolarHBondContact O-CB 3.37Å; P529-W533 PolarHBondContact O-N 3.18Å
530	W	95.9	Very high	95.2	Very high	11 Å²	11	43.1 Å²	43.1	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-46.1	174.5	176.6	-113.4	0	0	0	112.1	D322 W369 T373 W377 S528 F532 W533 M534	D322-W530 PolarHBondContact OD1-N 3.06Å; W369-W530 HydrophobicContact CB-CH2 4.19Å; W369-W530 HydrophobicContact CB-CZ2 4.27Å; W369-W530 HydrophobicContact CD2-CH2 4.01Å; W369-W530 HydrophobicContact CD2-CZ2 4.44Å; W369-W530 AromaticContact CE3-CH2 3.88Å; W369-W530 HydrophobicContact CE3-CH2 3.88Å; W369-W530 AromaticContact CE3-CZ2 3.99Å; W369-W530 HydrophobicContact CE3-CZ2 3.99Å; W369-W530 HydrophobicContact CG-CH2 4.14Å; T373-W530 PolarHBondContact OG1-NE1 2.95Å; W377-W530 AromaticContact CE2-CD1 3.65Å; W377-W530 AromaticContact CH2-CD1 3.84Å; W377-W530 AromaticContact CH2-NE1 3.64Å; W377-W530 AromaticContact CZ2-CD1 3.48Å; W377-W530 VanDerWaalsContact CZ2-CD1 3.48Å; W377-W530 HydrophobicContact CZ2-CG 4.37Å; W377-W530 AromaticContact CZ2-NE1 3.8Å; W377-W530 AromaticContact CZ3-NE1 3.83Å; S528-W530 VanDerWaalsContact C-N 3.26Å; S528-W530 PolarHBondContact O-N 3.45Å; W530-F532 PolarHBondContact O-N 3.43Å; W530-W533 WeakPolarHBondContact O-CB 3.26Å; W530-W533 PolarHBondContact O-N 2.95Å; W530-M534 HydrophobicContact CD2-CG 4.38Å; W530-M534 HydrophobicContact CH2-SD 4.16Å; W530-M534 HydrophobicContact CZ2-CG 4.08Å; W530-M534 HydrophobicContact CZ2-SD 3.9Å; W530-M534 WeakPolarHBondContact O-CG 3.39Å; W530-M534 PolarHBondContact O-N 3.32Å
531	M	96.2	Very high	95.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.8	-42.4	176.7	-76.4	-50.6	93	0	0	112.2	T373 W377 F378 Y503 W504 S528 W533 M534 F535	T373-M531 HydrophobicContact CG2-CE 3.26Å; T373-M531 HydrophobicContact CG2-SD 3.83Å; W377-M531 HydrophobicContact CB-CE 4.24Å; W377-M531 HydrophobicContact CB-SD 4.34Å; W377-M531 HydrophobicContact CD2-CE 4Å; W377-M531 HydrophobicContact CG-CE 3.77Å; W377-M531 HydrophobicContact CG-SD 4.39Å; F378-M531 HydrophobicContact CE1-SD 3.51Å; F378-M531 VanDerWaalsContact CE1-SD 3.51Å; F378-M531 HydrophobicContact CZ-SD 3.67Å; Y503-M531 HydrophobicContact CD1-CB 4.41Å; Y503-M531 HydrophobicContact CD1-CG 3.55Å; Y503-M531 HydrophobicContact CD2-CG 4.43Å; Y503-M531 HydrophobicContact CE1-CG 3.73Å; Y503-M531 HydrophobicContact CG-CG 3.92Å; Y503-M531 HydrophobicContact CG-SD 4.37Å; W504-M531 HydrophobicContact CZ2-CB 4.36Å; S528-M531 PolarHBondContact O-N 2.89Å; S528-M531 VanDerWaalsContact O-N 3.14Å; S528-M531 WeakPolarHBondContact OG-CG 3.22Å; S528-M531 PolarHBondContact OG-N 3.18Å; M531-W533 VanDerWaalsContact C-N 3.32Å; M531-W533 PolarHBondContact O-N 3.06Å; M531-M534 PolarHBondContact O-N 3.3Å; M531-F535 WeakPolarHBondContact O-CB 3.34Å; M531-F535 PolarHBondContact O-N 2.9Å
532	F	96.5	Very high	95.4	Very high	47 Å²	47	43.4 Å²	43.4	21%	0.206	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-41.7	176.6	-171	-109.4	0	0	0	111.9	W504 I521 I524 A525 S528 P529 W530 M534 F535 L536	W504-F532 HydrophobicContact CH2-CD2 4.38Å; W504-F532 HydrophobicContact CZ2-CB 4.29Å; W504-F532 HydrophobicContact CZ2-CD2 4.15Å; I521-F532 HydrophobicContact CG2-CE2 4.32Å; I521-F532 HydrophobicContact CG2-CZ 4.31Å; I524-F532 HydrophobicContact CD1-CD2 4.32Å; I524-F532 HydrophobicContact CD1-CE2 4.38Å; I524-F532 HydrophobicContact CG1-CD2 4.23Å; I524-F532 HydrophobicContact CG1-CE2 4.45Å; A525-F532 HydrophobicContact CB-CB 4.4Å; A525-F532 HydrophobicContact CB-CD1 3.77Å; A525-F532 HydrophobicContact CB-CD2 4.01Å; A525-F532 HydrophobicContact CB-CE1 3.96Å; A525-F532 HydrophobicContact CB-CE2 4.19Å; A525-F532 HydrophobicContact CB-CG 3.79Å; A525-F532 HydrophobicContact CB-CZ 4.17Å; S528-F532 PolarHBondContact O-N 3.45Å; P529-F532 PolarHBondContact O-N 2.99Å; W530-F532 PolarHBondContact O-N 3.43Å; F532-M534 PolarHBondContact O-N 3.4Å; F532-F535 PolarHBondContact O-N 3Å; F532-L536 HydrophobicContact CD1-CD1 3.97Å; F532-L536 HydrophobicContact CD1-CG 4.4Å; F532-L536 HydrophobicContact CE1-CD1 3.59Å; F532-L536 HydrophobicContact CE1-CG 4.13Å; F532-L536 HydrophobicContact CZ-CD1 4.11Å; F532-L536 HydrophobicContact CZ-CD2 4.23Å; F532-L536 HydrophobicContact CZ-CG 4.26Å; F532-L536 WeakPolarHBondContact O-CG 3.44Å; F532-L536 PolarHBondContact O-N 2.96Å
533	W	96	Very high	95.6	Very high	67 Å²	67	44.9 Å²	44.9	25%	0.254	23%	0.231	S	C	.	.	H	α-helix	trans	-60.3	-45	174.2	174.7	-127	0	0	0	112.7	I314 V317 P529 W530 M531 L536 N537	I314-W533 PolarHBondContact O-NE1 3.44Å; V317-W533 HydrophobicContact CB-CZ2 4.26Å; V317-W533 HydrophobicContact CG1-CD2 4.09Å; V317-W533 HydrophobicContact CG1-CE3 4.34Å; V317-W533 HydrophobicContact CG1-CH2 4.14Å; V317-W533 HydrophobicContact CG1-CZ2 3.84Å; V317-W533 HydrophobicContact CG1-CZ3 4.38Å; P529-W533 WeakPolarHBondContact O-CB 3.37Å; P529-W533 PolarHBondContact O-N 3.18Å; W530-W533 WeakPolarHBondContact O-CB 3.26Å; W530-W533 PolarHBondContact O-N 2.95Å; M531-W533 VanDerWaalsContact C-N 3.32Å; M531-W533 PolarHBondContact O-N 3.06Å; W533-L536 PolarHBondContact O-N 3.36Å; W533-N537 VanDerWaalsContact CH2-ND2 3.29Å; W533-N537 WeakPolarHBondContact CH2-ND2 3.47Å; W533-N537 WeakPolarHBondContact CZ2-ND2 3.27Å; W533-N537 WeakPolarHBondContact CZ3-ND2 3.38Å; W533-N537 PolarHBondContact O-N 3.45Å; W533-N537 PolarHBondContact O-ND2 3.44Å
534	M	97.2	Very high	95.5	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-67.3	-36.3	177.4	-69.1	-53.9	-60.4	0	0	112.7	W369 M370 T373 M496 W530 M531 F532 N537 S538	W369-M534 HydrophobicContact CB-CE 4.17Å; W369-M534 HydrophobicContact CB-SD 4.23Å; M370-M534 HydrophobicContact CB-CE 4.16Å; M370-M534 HydrophobicContact CG-CE 3.46Å; M370-M534 VanDerWaalsContact CG-CE 3.46Å; T373-M534 HydrophobicContact CG2-CG 4.46Å; M496-M534 HydrophobicContact CE-CB 3.87Å; M496-M534 HydrophobicContact CE-CE 4.43Å; M496-M534 HydrophobicContact CE-CG 4.48Å; W530-M534 HydrophobicContact CD2-CG 4.38Å; W530-M534 HydrophobicContact CH2-SD 4.16Å; W530-M534 HydrophobicContact CZ2-CG 4.08Å; W530-M534 HydrophobicContact CZ2-SD 3.9Å; W530-M534 WeakPolarHBondContact O-CG 3.39Å; W530-M534 PolarHBondContact O-N 3.32Å; M531-M534 PolarHBondContact O-N 3.3Å; F532-M534 PolarHBondContact O-N 3.4Å; M534-N537 PolarHBondContact O-N 3.19Å; M534-S538 WeakPolarHBondContact O-CB 3.23Å; M534-S538 PolarHBondContact O-N 3.1Å; M534-S538 PolarHBondContact O-OG 3.12Å
535	F	97.3	Very high	95.6	Very high	44 Å²	44	49.1 Å²	49.1	19%	0.193	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-47.9	174	179.1	-95.3	0	0	0	111.7	I497 C500 I501 W504 M531 F532 N537 S538 V539	I497-F535 HydrophobicContact CG2-CE2 3.97Å; C500-F535 HydrophobicContact CB-CB 4.12Å; C500-F535 HydrophobicContact CB-CD2 3.9Å; C500-F535 HydrophobicContact CB-CG 4.48Å; I501-F535 HydrophobicContact CD1-CE2 4.44Å; I501-F535 HydrophobicContact CG1-CE2 4.27Å; W504-F535 HydrophobicContact CH2-CB 3.6Å; W504-F535 AromaticContact CH2-CD1 3.94Å; W504-F535 HydrophobicContact CH2-CD1 3.94Å; W504-F535 AromaticContact CH2-CD2 3.75Å; W504-F535 HydrophobicContact CH2-CD2 3.75Å; W504-F535 HydrophobicContact CH2-CE2 4.36Å; W504-F535 AromaticContact CH2-CG 3.5Å; W504-F535 HydrophobicContact CH2-CG 3.5Å; W504-F535 VanDerWaalsContact CH2-CG 3.5Å; W504-F535 HydrophobicContact CZ2-CB 4.22Å; W504-F535 AromaticContact CZ3-CD2 3.86Å; W504-F535 HydrophobicContact CZ3-CD2 3.86Å; W504-F535 HydrophobicContact CZ3-CE2 4.1Å; W504-F535 HydrophobicContact CZ3-CG 4.07Å; M531-F535 WeakPolarHBondContact O-CB 3.34Å; M531-F535 PolarHBondContact O-N 2.9Å; F532-F535 PolarHBondContact O-N 3Å; F535-N537 VanDerWaalsContact C-N 3.33Å; F535-N537 PolarHBondContact O-N 3.11Å; F535-S538 WeakPolarHBondContact O-CA 3.37Å; F535-S538 WeakPolarHBondContact O-CB 3.22Å; F535-S538 PolarHBondContact O-N 3.03Å; F535-V539 HydrophobicContact CD1-CG2 4.08Å; F535-V539 HydrophobicContact CE1-CG2 3.69Å; F535-V539 HydrophobicContact CE2-CG2 4.37Å; F535-V539 HydrophobicContact CZ-CG2 3.85Å; F535-V539 WeakPolarHBondContact O-CG2 3.37Å; F535-V539 PolarHBondContact O-N 3.17Å
536	L	96	Very high	95.8	Very high	82 Å²	82	49.3 Å²	49.3	43%	0.429	25%	0.247	S	C	.	.	H	α-helix	trans	-59.4	-43.5	176.9	-71.4	-179.9	0	0	0	112	F532 W533 S538 V539 F540	F532-L536 HydrophobicContact CD1-CD1 3.97Å; F532-L536 HydrophobicContact CD1-CG 4.4Å; F532-L536 HydrophobicContact CE1-CD1 3.59Å; F532-L536 HydrophobicContact CE1-CG 4.13Å; F532-L536 HydrophobicContact CZ-CD1 4.11Å; F532-L536 HydrophobicContact CZ-CD2 4.23Å; F532-L536 HydrophobicContact CZ-CG 4.26Å; F532-L536 WeakPolarHBondContact O-CG 3.44Å; F532-L536 PolarHBondContact O-N 2.96Å; W533-L536 PolarHBondContact O-N 3.36Å; L536-S538 VanDerWaalsContact C-N 3.31Å; L536-S538 PolarHBondContact O-N 3.49Å; L536-V539 PolarHBondContact O-N 3.38Å; L536-F540 PolarHBondContact O-N 2.95Å
537	N	95.7	Very high	96.1	Very high	20 Å²	20	47.4 Å²	47.4	11%	0.107	24%	0.236	C	C	.	.	H	α-helix	trans	-58.7	-45.5	172.9	-86.1	-87.2	0	0	0	111.1	W533 M534 F535 F540 H541	W533-N537 VanDerWaalsContact CH2-ND2 3.29Å; W533-N537 WeakPolarHBondContact CH2-ND2 3.47Å; W533-N537 WeakPolarHBondContact CZ2-ND2 3.27Å; W533-N537 WeakPolarHBondContact CZ3-ND2 3.38Å; W533-N537 PolarHBondContact O-N 3.45Å; W533-N537 PolarHBondContact O-ND2 3.44Å; M534-N537 PolarHBondContact O-N 3.19Å; F535-N537 VanDerWaalsContact C-N 3.33Å; F535-N537 PolarHBondContact O-N 3.11Å; N537-F540 PolarHBondContact O-N 2.93Å; N537-H541 PolarHBondContact O-N 3.45Å; N537-H541 PolarHBondContact O-ND1 2.88Å
538	S	97.5	Very high	96.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.7	-45.4	179.9	-57	0	0	0	0	111.9	M370 I493 M496 M534 F535 L536 F540 H541 F542	M370-S538 WeakPolarHBondContact CE-OG 3.38Å; I493-S538 WeakPolarHBondContact CG2-O 3.36Å; M496-S538 WeakPolarHBondContact CG-OG 3.42Å; M534-S538 WeakPolarHBondContact O-CB 3.23Å; M534-S538 PolarHBondContact O-N 3.1Å; M534-S538 PolarHBondContact O-OG 3.12Å; F535-S538 WeakPolarHBondContact O-CA 3.37Å; F535-S538 WeakPolarHBondContact O-CB 3.22Å; F535-S538 PolarHBondContact O-N 3.03Å; L536-S538 VanDerWaalsContact C-N 3.31Å; L536-S538 PolarHBondContact O-N 3.49Å; S538-F540 PolarHBondContact O-N 3.42Å; S538-H541 PolarHBondContact O-N 3.31Å; S538-F542 WeakPolarHBondContact O-CB 3.47Å; S538-F542 PolarHBondContact O-N 3.5Å
539	V	96.9	Very high	96.3	Very high	65 Å²	65	48.2 Å²	48.2	39%	0.394	24%	0.235	S	C	.	.	H	α-helix	trans	-61.2	-44.7	177.2	171.8	0	0	0	0	111.6	I497 F535 L536 F542 M543	I497-V539 HydrophobicContact CD1-CG2 4.48Å; F535-V539 HydrophobicContact CD1-CG2 4.08Å; F535-V539 HydrophobicContact CE1-CG2 3.69Å; F535-V539 HydrophobicContact CE2-CG2 4.37Å; F535-V539 HydrophobicContact CZ-CG2 3.85Å; F535-V539 WeakPolarHBondContact O-CG2 3.37Å; F535-V539 PolarHBondContact O-N 3.17Å; L536-V539 PolarHBondContact O-N 3.38Å; V539-F542 WeakPolarHBondContact O-CB 3.26Å; V539-F542 PolarHBondContact O-N 2.99Å; V539-M543 PolarHBondContact O-N 3.06Å; V539-M543 VanDerWaalsContact O-N 3.08Å
540	F	94.4	Very high	96.5	Very high	123 Å²	123	52.6 Å²	52.6	54%	0.539	26%	0.255	S	S	.	.	H	α-helix	trans	-61.4	-46.9	177.2	178.1	-97.1	0	0	0	111.9	L536 N537 S538 F542 M543 W544	L536-F540 PolarHBondContact O-N 2.95Å; N537-F540 PolarHBondContact O-N 2.93Å; S538-F540 PolarHBondContact O-N 3.42Å; F540-F542 VanDerWaalsContact C-N 3.33Å; F540-F542 PolarHBondContact O-N 3.39Å; F540-M543 HydrophobicContact CD2-CE 4.41Å; F540-M543 PolarHBondContact O-N 3.47Å; F540-W544 PolarHBondContact O-N 2.65Å
541	H	94.4	Very high	96.6	Very high	27 Å²	27	54.4 Å²	54.4	13%	0.125	27%	0.269	C	S	.	.	H	α-helix	trans	-66.1	-36.8	177.9	-72.5	76.5	0	0	0	111.7	I493 N537 S538 W544 V545	I493-H541 HydrophobicContact CD1-CB 3.74Å; I493-H541 HydrophobicContact CG1-CB 4.33Å; N537-H541 PolarHBondContact O-N 3.45Å; N537-H541 PolarHBondContact O-ND1 2.88Å; S538-H541 PolarHBondContact O-N 3.31Å; H541-W544 PolarHBondContact O-N 3.48Å; H541-V545 VanDerWaalsContact O-CB 3.28Å; H541-V545 WeakPolarHBondContact O-CB 3.42Å; H541-V545 WeakPolarHBondContact O-CG2 3.31Å; H541-V545 PolarHBondContact O-N 3.37Å
542	F	97.4	Very high	96.6	Very high	79 Å²	79	54.9 Å²	54.9	35%	0.346	27%	0.271	S	S	.	.	H	α-helix	trans	-57	-53	176.1	-177.6	-89.4	0	0	0	110.5	L490 I493 I497 S538 V539 F540 W544 V545 A546	L490-F542 HydrophobicContact CD1-CD2 3.47Å; L490-F542 VanDerWaalsContact CD1-CD2 3.47Å; L490-F542 HydrophobicContact CD1-CE2 3.53Å; L490-F542 HydrophobicContact CD1-CG 4.14Å; L490-F542 HydrophobicContact CD1-CZ 4.23Å; L490-F542 HydrophobicContact CG-CD2 4.41Å; L490-F542 HydrophobicContact CG-CE2 4.13Å; I493-F542 HydrophobicContact CG2-CB 3.7Å; I493-F542 HydrophobicContact CG2-CD2 4.19Å; I493-F542 HydrophobicContact CG2-CG 4.46Å; I497-F542 HydrophobicContact CD1-CB 4.4Å; I497-F542 HydrophobicContact CD1-CD2 4.48Å; S538-F542 WeakPolarHBondContact O-CB 3.47Å; S538-F542 PolarHBondContact O-N 3.5Å; V539-F542 WeakPolarHBondContact O-CB 3.26Å; V539-F542 PolarHBondContact O-N 2.99Å; F540-F542 VanDerWaalsContact C-N 3.33Å; F540-F542 PolarHBondContact O-N 3.39Å; F542-W544 PolarHBondContact O-N 3.35Å; F542-V545 PolarHBondContact O-N 3.23Å; F542-A546 HydrophobicContact CE1-CB 4.39Å; F542-A546 WeakPolarHBondContact O-CB 3.49Å; F542-A546 PolarHBondContact O-N 3.39Å
543	M	96.1	Very high	96.7	Very high	111 Å²	111	55.7 Å²	55.7	55%	0.547	28%	0.276	S	S	.	.	H	α-helix	trans	-56.4	-50.1	-179.8	-179.2	-176.7	67.6	0	0	111.2	V539 F540 V547	V539-M543 PolarHBondContact O-N 3.06Å; V539-M543 VanDerWaalsContact O-N 3.08Å; F540-M543 HydrophobicContact CD2-CE 4.41Å; F540-M543 PolarHBondContact O-N 3.47Å; M543-V547 VanDerWaalsContact O-CG2 3.28Å; M543-V547 WeakPolarHBondContact O-CG2 3.27Å; M543-V547 PolarHBondContact O-N 2.89Å; M543-V547 VanDerWaalsContact O-N 3.12Å
544	W	93.6	Very high	96.7	Very high	125 Å²	125	57.8 Å²	57.8	47%	0.473	29%	0.285	S	S	.	.	H	α-helix	trans	-65.1	-49	-178.1	-178	-101	0	0	0	112.7	F540 H541 F542 V547 L548	F540-W544 PolarHBondContact O-N 2.65Å; H541-W544 PolarHBondContact O-N 3.48Å; F542-W544 PolarHBondContact O-N 3.35Å; W544-V547 PolarHBondContact O-N 3.29Å; W544-L548 HydrophobicContact CG-CD1 4.46Å; W544-L548 HydrophobicContact CZ2-CD1 4.3Å; W544-L548 WeakPolarHBondContact O-CG 3.27Å; W544-L548 PolarHBondContact O-N 2.92Å
545	V	97	Very high	96.8	Very high	8 Å²	8	58 Å²	58	5%	0.048	29%	0.286	C	S	.	.	H	α-helix	trans	-67.6	-39.2	-178.1	175.2	0	0	0	0	111.1	L486 L489 L490 I493 H541 F542 L548 L549	L486-V545 HydrophobicContact CD2-CG1 4.38Å; L486-V545 WeakPolarHBondContact O-CG1 3.43Å; L489-V545 HydrophobicContact CB-CG1 4.39Å; L489-V545 HydrophobicContact CD2-CG1 4.27Å; L489-V545 HydrophobicContact CD2-CG2 3.72Å; L489-V545 HydrophobicContact CG-CG1 4.17Å; L489-V545 HydrophobicContact CG-CG2 4.1Å; L490-V545 HydrophobicContact CB-CG1 4.18Å; L490-V545 HydrophobicContact CD1-CG1 4.39Å; I493-V545 HydrophobicContact CD1-CB 4.33Å; I493-V545 HydrophobicContact CD1-CG2 4.08Å; H541-V545 VanDerWaalsContact O-CB 3.28Å; H541-V545 WeakPolarHBondContact O-CB 3.42Å; H541-V545 WeakPolarHBondContact O-CG2 3.31Å; H541-V545 PolarHBondContact O-N 3.37Å; F542-V545 PolarHBondContact O-N 3.23Å; V545-L548 PolarHBondContact O-N 3.34Å; V545-L549 VanDerWaalsContact O-CB 3.29Å; V545-L549 WeakPolarHBondContact O-CB 3.43Å; V545-L549 PolarHBondContact O-N 2.91Å
546	A	98.2	Very high	96.7	Very high	28 Å²	28	56.4 Å²	56.4	23%	0.231	28%	0.279	C	S	.	.	H	α-helix	trans	-62.2	-46.5	176.4	0	0	0	0	0	111.6	L490 F542 L549 M550	L490-A546 HydrophobicContact CD1-CB 3.95Å; F542-A546 HydrophobicContact CE1-CB 4.39Å; F542-A546 WeakPolarHBondContact O-CB 3.49Å; F542-A546 PolarHBondContact O-N 3.39Å; A546-L549 PolarHBondContact O-N 3.42Å; A546-M550 VanDerWaalsContact O-CB 3.29Å; A546-M550 WeakPolarHBondContact O-CB 3.24Å; A546-M550 PolarHBondContact O-N 2.96Å
547	V	97.6	Very high	96.7	Very high	70 Å²	70	52.9 Å²	52.9	42%	0.424	26%	0.261	S	S	.	.	H	α-helix	trans	-62.8	-44.6	177.4	170.9	0	0	0	0	111.1	M543 W544 M550 C551	M543-V547 VanDerWaalsContact O-CG2 3.28Å; M543-V547 WeakPolarHBondContact O-CG2 3.27Å; M543-V547 PolarHBondContact O-N 2.89Å; M543-V547 VanDerWaalsContact O-N 3.12Å; W544-V547 PolarHBondContact O-N 3.29Å; V547-M550 HydrophobicContact CG2-CE 4.45Å; V547-M550 PolarHBondContact O-N 3.36Å; V547-C551 WeakPolarHBondContact O-CB 3.21Å; V547-C551 PolarHBondContact O-N 3.5Å; V547-C551 PolarHBondContact O-SG 3.42Å; V547-C551 VanDerWaalsContact O-SG 3.35Å
548	L	96.2	Very high	96.8	Very high	54 Å²	54	54.3 Å²	54.3	28%	0.283	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-46.7	176.6	-74.7	-179.7	0	0	0	112.2	L486 W544 V545 M550 C551 Q552	L486-L548 HydrophobicContact CD1-CB 4.43Å; W544-L548 HydrophobicContact CG-CD1 4.46Å; W544-L548 HydrophobicContact CZ2-CD1 4.3Å; W544-L548 WeakPolarHBondContact O-CG 3.27Å; W544-L548 PolarHBondContact O-N 2.92Å; V545-L548 PolarHBondContact O-N 3.34Å; L548-M550 PolarHBondContact O-N 3.49Å; L548-C551 PolarHBondContact O-N 3.07Å; L548-Q552 WeakPolarHBondContact O-CB 3.36Å; L548-Q552 VanDerWaalsContact O-CG 3.29Å; L548-Q552 WeakPolarHBondContact O-CG 3.36Å; L548-Q552 PolarHBondContact O-N 2.86Å
549	L	97.9	Very high	96.6	Very high	21 Å²	21	55.6 Å²	55.6	11%	0.11	28%	0.279	C	S	.	.	H	α-helix	trans	-61.4	-44.9	178.8	178.8	60.1	0	0	0	111.2	M483 L486 L490 V545 A546 Q552 M553	M483-L549 HydrophobicContact CE-CD1 3.61Å; L486-L549 HydrophobicContact CB-CB 4.29Å; L486-L549 HydrophobicContact CB-CD1 3.96Å; L490-L549 HydrophobicContact CD2-CD2 4.02Å; V545-L549 VanDerWaalsContact O-CB 3.29Å; V545-L549 WeakPolarHBondContact O-CB 3.43Å; V545-L549 PolarHBondContact O-N 2.91Å; A546-L549 PolarHBondContact O-N 3.42Å; L549-Q552 PolarHBondContact O-N 2.66Å; L549-M553 WeakPolarHBondContact O-CB 3.49Å; L549-M553 PolarHBondContact O-N 3.01Å
550	M	98	Very high	96.5	Very high	120 Å²	120	53 Å²	53	59%	0.591	27%	0.265	S	S	*	.	H	α-helix	trans	-61.2	-48.8	176.7	176.3	-178.4	52	0	0	111.6	A546 V547 L548 Q552 M553 Y554	A546-M550 VanDerWaalsContact O-CB 3.29Å; A546-M550 WeakPolarHBondContact O-CB 3.24Å; A546-M550 PolarHBondContact O-N 2.96Å; V547-M550 HydrophobicContact CG2-CE 4.45Å; V547-M550 PolarHBondContact O-N 3.36Å; L548-M550 PolarHBondContact O-N 3.49Å; M550-Q552 PolarHBondContact O-N 2.85Å; M550-M553 PolarHBondContact O-N 2.91Å; M550-Y554 WeakPolarHBondContact O-CB 3.3Å; M550-Y554 PolarHBondContact O-N 2.66Å
551	C	97.6	Very high	96.6	Very high	49 Å²	49	47.3 Å²	47.3	33%	0.331	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-42.3	178.8	-77.8	0	0	0	0	112.3	V547 L548 Q555	V547-C551 WeakPolarHBondContact O-CB 3.21Å; V547-C551 PolarHBondContact O-N 3.5Å; V547-C551 PolarHBondContact O-SG 3.42Å; V547-C551 VanDerWaalsContact O-SG 3.35Å; L548-C551 PolarHBondContact O-N 3.07Å; C551-Q555 WeakPolarHBondContact O-CB 3.49Å; C551-Q555 WeakPolarHBondContact O-CG 3.22Å; C551-Q555 PolarHBondContact O-N 3.24Å; C551-Q555 VanDerWaalsContact O-N 3.12Å; C551-Q555 PolarHBondContact O-NE2 3.02Å
552	Q	97.7	Very high	96.7	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.047	24%	0.235	C	C	.	.	H	α-helix	trans	-69.1	-44.1	177.8	-71.7	-71.5	5.2	0	0	111.2	D464 F482 M483 L486 L548 L549 M550 Y554 Q555 I556 T563	D464-Q552 PolarHBondContact OD2-NE2 3.48Å; F482-Q552 HydrophobicContact CE1-CG 4.37Å; M483-Q552 HydrophobicContact CE-CB 3.7Å; M483-Q552 HydrophobicContact SD-CB 3.51Å; M483-Q552 VanDerWaalsContact SD-CB 3.51Å; M483-Q552 HydrophobicContact SD-CG 4.24Å; L486-Q552 HydrophobicContact CD1-CG 4.46Å; L548-Q552 WeakPolarHBondContact O-CB 3.36Å; L548-Q552 VanDerWaalsContact O-CG 3.29Å; L548-Q552 WeakPolarHBondContact O-CG 3.36Å; L548-Q552 PolarHBondContact O-N 2.86Å; L549-Q552 PolarHBondContact O-N 2.66Å; M550-Q552 PolarHBondContact O-N 2.85Å; Q552-Y554 PolarHBondContact O-N 2.87Å; Q552-Q555 PolarHBondContact O-N 3.34Å; Q552-I556 WeakPolarHBondContact O-CB 3.38Å; Q552-I556 WeakPolarHBondContact O-CD1 3.49Å; Q552-I556 VanDerWaalsContact O-CG1 3.27Å; Q552-I556 WeakPolarHBondContact O-CG1 3Å; Q552-I556 PolarHBondContact O-N 2.95Å; Q552-T563 PolarHBondContact NE2-OG1 3.39Å; Q552-T563 VanDerWaalsContact NE2-OG1 3.14Å
553	M	97.6	Very high	96.7	Very high	64 Å²	64	43.8 Å²	43.8	32%	0.315	23%	0.228	S	C	.	.	H	α-helix	trans	-58.6	-48.6	176.5	-172.3	60.2	68.6	0	0	110.7	M483 L549 M550 Q555 I556 S557 F598	M483-M553 HydrophobicContact CE-CB 4.41Å; M483-M553 HydrophobicContact CE-CE 4.07Å; L549-M553 WeakPolarHBondContact O-CB 3.49Å; L549-M553 PolarHBondContact O-N 3.01Å; M550-M553 PolarHBondContact O-N 2.91Å; M553-Q555 VanDerWaalsContact C-N 3.33Å; M553-Q555 PolarHBondContact O-N 2.8Å; M553-I556 PolarHBondContact O-N 3.12Å; M553-S557 WeakPolarHBondContact O-CB 3.27Å; M553-S557 PolarHBondContact O-N 3.2Å; M553-S557 PolarHBondContact O-OG 3.24Å; M553-F598 HydrophobicContact CE-CE2 4.5Å; M553-F598 HydrophobicContact CE-CZ 4.36Å
554	Y	97.4	Very high	96.7	Very high	111 Å²	111	38.9 Å²	38.9	44%	0.435	20%	0.203	S	C	.	.	H	α-helix	trans	-57.6	-42.8	176.4	176	-106.7	0	0	0	112.9	M550 Q552 C558 L559	M550-Y554 WeakPolarHBondContact O-CB 3.3Å; M550-Y554 PolarHBondContact O-N 2.66Å; Q552-Y554 PolarHBondContact O-N 2.87Å; Y554-C558 HydrophobicContact CD2-CB 3.6Å; Y554-C558 HydrophobicContact CE2-CB 3.58Å; Y554-C558 HydrophobicContact CG-CB 4.4Å; Y554-C558 WeakPolarHBondContact O-CA 3.25Å; Y554-C558 VanDerWaalsContact O-CB 3.25Å; Y554-C558 WeakPolarHBondContact O-CB 3.14Å; Y554-C558 PolarHBondContact O-N 3.24Å; Y554-L559 HydrophobicContact CD1-CD1 4.11Å; Y554-L559 HydrophobicContact CD1-CG 4.47Å; Y554-L559 HydrophobicContact CE1-CD1 3.52Å; Y554-L559 HydrophobicContact CE1-CD2 4.49Å; Y554-L559 HydrophobicContact CE1-CG 3.93Å; Y554-L559 PolarHBondContact O-N 2.84Å
555	Q	97.3	Very high	96.9	Very high	7 Å²	7	33 Å²	33	3%	0.033	18%	0.181	C	C	.	.	H	α-helix	trans	-66.9	-41.4	178.9	-74.4	177.2	96.3	0	0	112.5	C551 Q552 M553 L559 G560 I561 T563	C551-Q555 WeakPolarHBondContact O-CB 3.49Å; C551-Q555 WeakPolarHBondContact O-CG 3.22Å; C551-Q555 PolarHBondContact O-N 3.24Å; C551-Q555 VanDerWaalsContact O-N 3.12Å; C551-Q555 PolarHBondContact O-NE2 3.02Å; Q552-Q555 PolarHBondContact O-N 3.34Å; M553-Q555 VanDerWaalsContact C-N 3.33Å; M553-Q555 PolarHBondContact O-N 2.8Å; Q555-L559 CarbonylContact O-C 3.56Å; Q555-L559 PolarHBondContact O-N 3.16Å; Q555-G560 PolarHBondContact O-N 3.07Å; Q555-I561 HydrophobicContact CB-CG2 4.11Å; Q555-I561 HydrophobicContact CG-CG2 4.25Å; Q555-I561 PolarHBondContact O-N 3.37Å; Q555-T563 PolarHBondContact NE2-OG1 3.32Å; Q555-T563 VanDerWaalsContact OE1-CA 3.26Å
556	I	96.9	Very high	96.8	Very high	10 Å²	10	37.5 Å²	37.5	5%	0.051	20%	0.197	C	C	.	.	H	α-helix	trans	-69.7	-57	178.2	-68.6	160.4	0	0	0	110.1	M483 Q552 M553 G560 N593 F597	M483-I556 HydrophobicContact CE-CD1 3.93Å; M483-I556 HydrophobicContact CG-CD1 3.73Å; M483-I556 HydrophobicContact SD-CD1 3.7Å; Q552-I556 WeakPolarHBondContact O-CB 3.38Å; Q552-I556 WeakPolarHBondContact O-CD1 3.49Å; Q552-I556 VanDerWaalsContact O-CG1 3.27Å; Q552-I556 WeakPolarHBondContact O-CG1 3Å; Q552-I556 PolarHBondContact O-N 2.95Å; M553-I556 PolarHBondContact O-N 3.12Å; I556-G560 PolarHBondContact O-N 3.36Å; I556-N593 WeakPolarHBondContact O-CB 3.41Å; I556-F597 HydrophobicContact CB-CD2 4.45Å; I556-F597 HydrophobicContact CD1-CD1 4.48Å; I556-F597 HydrophobicContact CD1-CD2 4.24Å; I556-F597 HydrophobicContact CD1-CE1 3.92Å; I556-F597 HydrophobicContact CD1-CE2 3.64Å; I556-F597 HydrophobicContact CD1-CZ 3.46Å; I556-F597 VanDerWaalsContact CD1-CZ 3.46Å; I556-F597 HydrophobicContact CG1-CD2 4.09Å; I556-F597 HydrophobicContact CG1-CE2 3.84Å; I556-F597 HydrophobicContact CG1-CZ 4.19Å; I556-F597 HydrophobicContact CG2-CB 3.66Å; I556-F597 HydrophobicContact CG2-CD1 3.82Å; I556-F597 HydrophobicContact CG2-CD2 3.51Å; I556-F597 HydrophobicContact CG2-CE1 4.35Å; I556-F597 HydrophobicContact CG2-CE2 4.07Å; I556-F597 HydrophobicContact CG2-CG 3.37Å; I556-F597 HydrophobicContact CG2-CZ 4.46Å
557	S	96.3	Very high	96.6	Very high	8 Å²	8	43.3 Å²	43.3	6%	0.056	22%	0.222	C	C	.	.	H	α-helix	trans	-76.8	-51.4	-171.4	70.3	0	0	0	0	111.7	M553 C590 N593	M553-S557 WeakPolarHBondContact O-CB 3.27Å; M553-S557 PolarHBondContact O-N 3.2Å; M553-S557 PolarHBondContact O-OG 3.24Å; S557-C590 VanDerWaalsContact O-CA 3.29Å; S557-C590 WeakPolarHBondContact O-CA 3.35Å; S557-N593 WeakPolarHBondContact O-CB 3.45Å; S557-N593 PolarHBondContact O-ND2 3.39Å
558	C	95.8	Very high	96.4	Very high	50 Å²	50	41.5 Å²	41.5	34%	0.338	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-26.5	-170.3	-57.6	0	0	0	0	113.5	Y554 N587	Y554-C558 HydrophobicContact CD2-CB 3.6Å; Y554-C558 HydrophobicContact CE2-CB 3.58Å; Y554-C558 HydrophobicContact CG-CB 4.4Å; Y554-C558 WeakPolarHBondContact O-CA 3.25Å; Y554-C558 VanDerWaalsContact O-CB 3.25Å; Y554-C558 WeakPolarHBondContact O-CB 3.14Å; Y554-C558 PolarHBondContact O-N 3.24Å; C558-N587 PolarHBondContact O-ND2 2.71Å
559	L	94.7	Very high	96.3	Very high	27 Å²	27	39.1 Å²	39.1	14%	0.141	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-15.5	-172.2	-59.9	-177	0	0	0	115	Y554 Q555 I561 S584	Y554-L559 HydrophobicContact CD1-CD1 4.11Å; Y554-L559 HydrophobicContact CD1-CG 4.47Å; Y554-L559 HydrophobicContact CE1-CD1 3.52Å; Y554-L559 HydrophobicContact CE1-CD2 4.49Å; Y554-L559 HydrophobicContact CE1-CG 3.93Å; Y554-L559 PolarHBondContact O-N 2.84Å; Q555-L559 CarbonylContact O-C 3.56Å; Q555-L559 PolarHBondContact O-N 3.16Å; L559-I561 HydrophobicContact CB-CB 4.27Å; L559-I561 HydrophobicContact CB-CG2 3.59Å; L559-I561 HydrophobicContact CD1-CG2 4.08Å; L559-I561 PolarHBondContact O-N 3.39Å; L559-S584 WeakPolarHBondContact O-CB 3.24Å; L559-S584 PolarHBondContact O-OG 3.46Å
560	G	94.7	Very high	96	Very high	10 Å²	10	48.6 Å²	48.6	10%	0.103	23%	0.232	C	C	.	.			trans	59.8	26.8	-176.4	0	0	0	0	0	114.4	R449 Q555 I556	R449-G560 PolarHBondContact NH2-O 3.23Å; Q555-G560 PolarHBondContact O-N 3.07Å; I556-G560 PolarHBondContact O-N 3.36Å
561	I	96	Very high	95.6	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	24%	0.241	C	C	.	.			trans	-122	150.6	-169.2	-160.9	169.5	0	0	0	111.4	Q555 L559 E565 R566 F575 I582	Q555-I561 HydrophobicContact CB-CG2 4.11Å; Q555-I561 HydrophobicContact CG-CG2 4.25Å; Q555-I561 PolarHBondContact O-N 3.37Å; L559-I561 HydrophobicContact CB-CB 4.27Å; L559-I561 HydrophobicContact CB-CG2 3.59Å; L559-I561 HydrophobicContact CD1-CG2 4.08Å; L559-I561 PolarHBondContact O-N 3.39Å; I561-E565 HydrophobicContact CD1-CB 3.94Å; I561-E565 HydrophobicContact CG1-CB 3.42Å; I561-E565 VanDerWaalsContact CG1-CB 3.42Å; I561-R566 HydrophobicContact CD1-CB 3.98Å; I561-R566 HydrophobicContact CG1-CB 4.38Å; I561-R566 HydrophobicContact CG2-CB 4.22Å; I561-F575 HydrophobicContact CB-CE1 4.48Å; I561-F575 HydrophobicContact CD1-CD1 3.87Å; I561-F575 HydrophobicContact CD1-CE1 3.31Å; I561-F575 HydrophobicContact CD1-CZ 3.85Å; I561-F575 HydrophobicContact CG1-CE1 3.64Å; I561-F575 HydrophobicContact CG1-CZ 3.85Å; I561-I582 HydrophobicContact CD1-CG2 4.09Å
562	T	97.3	Very high	95.2	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	23%	0.234	C	C	.	.			trans	-86.4	161	168.9	79.3	0	0	0	0	111.8	K462 F463 D464 N564 E565 R566	K462-T562 HydrophobicContact CG-CG2 3.73Å; F463-T562 WeakPolarHBondContact O-CB 3.48Å; F463-T562 PolarHBondContact O-OG1 3.18Å; D464-T562 VanDerWaalsContact OD1-CA 3.29Å; D464-T562 WeakPolarHBondContact OD1-CA 3.28Å; D464-T562 VanDerWaalsContact OD1-CB 3.29Å; D464-T562 WeakPolarHBondContact OD1-CB 3.48Å; T562-N564 VanDerWaalsContact C-N 3.32Å; T562-N564 PolarHBondContact O-N 3.39Å; T562-E565 PolarHBondContact N-OE2 3.49Å; T562-E565 PolarHBondContact O-N 2.83Å; T562-E565 VanDerWaalsContact OG1-CG 3.32Å; T562-E565 WeakPolarHBondContact OG1-CG 3.46Å; T562-E565 PolarHBondContact OG1-N 3.27Å; T562-R566 WeakPolarHBondContact O-CB 3.42Å; T562-R566 PolarHBondContact O-N 3.06Å
563	T	97.3	Very high	94.7	Very high	31 Å²	31	62.4 Å²	62.4	19%	0.19	28%	0.276	C	S	.	.	H	α-helix	trans	-56	-46.3	175.6	-60.9	0	0	0	0	111.6	D464 Q552 Q555 E565 R566 M567	D464-T563 PolarHBondContact OD1-N 3.04Å; D464-T563 PolarHBondContact OD1-OG1 3.01Å; D464-T563 PolarHBondContact OD2-OG1 3.12Å; Q552-T563 PolarHBondContact NE2-OG1 3.39Å; Q552-T563 VanDerWaalsContact NE2-OG1 3.14Å; Q555-T563 PolarHBondContact NE2-OG1 3.32Å; Q555-T563 VanDerWaalsContact OE1-CA 3.26Å; T563-E565 PolarHBondContact O-N 2.99Å; T563-R566 PolarHBondContact O-N 2.95Å; T563-M567 HydrophobicContact CG2-SD 4.31Å; T563-M567 WeakPolarHBondContact O-CG 3.22Å; T563-M567 PolarHBondContact O-N 3.45Å
564	N	96.7	Very high	94.3	Very high	7 Å²	7	61 Å²	61	4%	0.037	27%	0.269	C	S	.	.	H	α-helix	trans	-60.2	-46	175.5	169.7	71.5	0	0	0	112.9	K451 F463 D464 T562 R566 M567 N568 Y572	K451-N564 VanDerWaalsContact CD-CG 3.43Å; K451-N564 WeakPolarHBondContact CD-ND2 3.4Å; K451-N564 WeakPolarHBondContact CD-OD1 3.3Å; K451-N564 WeakPolarHBondContact CE-OD1 3.35Å; K451-N564 PolarHBondContact NZ-OD1 2.62Å; F463-N564 HydrophobicContact CD1-CB 3.64Å; F463-N564 HydrophobicContact CE1-CB 3.99Å; D464-N564 WeakPolarHBondContact O-CB 3.37Å; D464-N564 PolarHBondContact O-N 2.95Å; T562-N564 VanDerWaalsContact C-N 3.32Å; T562-N564 PolarHBondContact O-N 3.39Å; N564-R566 VanDerWaalsContact C-N 3.35Å; N564-M567 PolarHBondContact O-N 3.24Å; N564-N568 WeakPolarHBondContact O-CB 3.44Å; N564-N568 PolarHBondContact O-N 3.15Å; N564-N568 PolarHBondContact O-ND2 3.23Å; N564-N568 PolarHBondContact OD1-ND2 2.94Å; N564-N568 VanDerWaalsContact OD1-ND2 3.11Å; N564-Y572 PolarHBondContact ND2-OH 3.07Å; N564-Y572 VanDerWaalsContact ND2-OH 3.11Å
565	E	96.5	Very high	94	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.009	25%	0.25	C	S	.	.	H	α-helix	trans	-62.8	-44	179.2	-74.4	167	170.3	0	0	110.8	R449 I561 T562 T563 M567 N568 A569 Y572 F575	R449-E565 WeakPolarHBondContact CB-OE1 3.46Å; R449-E565 WeakPolarHBondContact CG-OE1 3.46Å; R449-E565 IonicContact CZ-OE1 3.65Å; R449-E565 IonicContact CZ-OE2 3.01Å; R449-E565 IonicContact NE-OE1 3.24Å; R449-E565 PolarHBondContact NE-OE1 3.25Å; R449-E565 IonicContact NE-OE2 2.64Å; R449-E565 PolarHBondContact NE-OE2 3.05Å; R449-E565 IonicContact NH2-OE1 3.76Å; R449-E565 IonicContact NH2-OE2 3.73Å; R449-E565 PolarHBondContact NH2-OE2 2.76Å; I561-E565 HydrophobicContact CD1-CB 3.94Å; I561-E565 HydrophobicContact CG1-CB 3.42Å; I561-E565 VanDerWaalsContact CG1-CB 3.42Å; T562-E565 PolarHBondContact N-OE2 3.49Å; T562-E565 PolarHBondContact O-N 2.83Å; T562-E565 VanDerWaalsContact OG1-CG 3.32Å; T562-E565 WeakPolarHBondContact OG1-CG 3.46Å; T562-E565 PolarHBondContact OG1-N 3.27Å; T563-E565 PolarHBondContact O-N 2.99Å; E565-M567 PolarHBondContact O-N 3.27Å; E565-N568 CarbonylContact O-C 3.59Å; E565-N568 PolarHBondContact O-N 2.96Å; E565-N568 VanDerWaalsContact O-N 3.12Å; E565-A569 WeakPolarHBondContact O-CA 3.42Å; E565-A569 WeakPolarHBondContact O-CB 3.29Å; E565-A569 PolarHBondContact O-N 3.18Å; E565-Y572 HydrophobicContact CG-CE2 4.38Å; E565-F575 HydrophobicContact CB-CE2 4.13Å; E565-F575 HydrophobicContact CB-CZ 3.82Å; E565-F575 HydrophobicContact CG-CE2 4.19Å; E565-F575 HydrophobicContact CG-CZ 4.07Å
566	R	95.2	Very high	93.7	Very high	102 Å²	102	61.5 Å²	61.5	39%	0.385	27%	0.273	S	S	.	.	H	α-helix	trans	-58.4	-46.5	176.4	-174.5	179.6	-179.8	-165	1.1	111.9	I561 T562 T563 N564 N568 I582	I561-R566 HydrophobicContact CD1-CB 3.98Å; I561-R566 HydrophobicContact CG1-CB 4.38Å; I561-R566 HydrophobicContact CG2-CB 4.22Å; T562-R566 WeakPolarHBondContact O-CB 3.42Å; T562-R566 PolarHBondContact O-N 3.06Å; T563-R566 PolarHBondContact O-N 2.95Å; N564-R566 VanDerWaalsContact C-N 3.35Å; R566-N568 VanDerWaalsContact C-N 3.25Å; R566-N568 PolarHBondContact O-N 3.29Å; R566-I582 HydrophobicContact CG-CD1 4.18Å
567	M	93.6	Very high	93.4	Very high	151 Å²	151	63.5 Å²	63.5	74%	0.744	29%	0.286	S	S	*	.	H	α-helix	trans	-66.3	-27.2	178.3	-70.8	-177.6	71.5	0	0	113.2	T563 N564 E565	T563-M567 HydrophobicContact CG2-SD 4.31Å; T563-M567 WeakPolarHBondContact O-CG 3.22Å; T563-M567 PolarHBondContact O-N 3.45Å; N564-M567 PolarHBondContact O-N 3.24Å; E565-M567 PolarHBondContact O-N 3.27Å
568	N	94.1	Very high	93.1	Very high	31 Å²	31	66 Å²	66	17%	0.166	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	18.1	-174	-64.8	-79.6	0	0	0	113.1	N564 E565 R566 R570 R571 Y572	N564-N568 WeakPolarHBondContact O-CB 3.44Å; N564-N568 PolarHBondContact O-N 3.15Å; N564-N568 PolarHBondContact O-ND2 3.23Å; N564-N568 PolarHBondContact OD1-ND2 2.94Å; N564-N568 VanDerWaalsContact OD1-ND2 3.11Å; E565-N568 CarbonylContact O-C 3.59Å; E565-N568 PolarHBondContact O-N 2.96Å; E565-N568 VanDerWaalsContact O-N 3.12Å; R566-N568 VanDerWaalsContact C-N 3.25Å; R566-N568 PolarHBondContact O-N 3.29Å; N568-R570 PolarHBondContact O-N 2.96Å; N568-R570 VanDerWaalsContact O-N 3.09Å; N568-R571 WeakPolarHBondContact O-CB 3.47Å; N568-R571 PolarHBondContact O-N 3.27Å; N568-Y572 HydrophobicContact CB-CD2 4.34Å; N568-Y572 HydrophobicContact CB-CE2 3.73Å; N568-Y572 VanDerWaalsContact O-CD2 3.25Å; N568-Y572 WeakPolarHBondContact O-CD2 3.49Å
569	A	93.2	Very high	92.6	Very high	5 Å²	5	70.6 Å²	70.6	4%	0.041	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-54	-39.8	-168.5	0	0	0	0	0	113	E565 R571 Y572 F575 V577 I582	E565-A569 WeakPolarHBondContact O-CA 3.42Å; E565-A569 WeakPolarHBondContact O-CB 3.29Å; E565-A569 PolarHBondContact O-N 3.18Å; A569-R571 PolarHBondContact O-N 2.98Å; A569-R571 VanDerWaalsContact O-N 3.17Å; A569-Y572 PolarHBondContact O-N 2.83Å; A569-F575 HydrophobicContact CB-CB 4.34Å; A569-V577 HydrophobicContact CB-CG2 3.61Å; A569-I582 HydrophobicContact CB-CD1 4Å; A569-I582 HydrophobicContact CB-CG1 4.43Å; A569-I582 HydrophobicContact CB-CG2 3.98Å
570	R	91.7	Very high	92.2	Very high	220 Å²	220	75.7 Å²	75.7	83%	0.83	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-62.5	-21.4	177.8	-65	-177	-179.3	174.4	0.5	114.5	N568 Y572 V577	N568-R570 PolarHBondContact O-N 2.96Å; N568-R570 VanDerWaalsContact O-N 3.09Å; R570-Y572 VanDerWaalsContact C-N 3.33Å; R570-V577 HydrophobicContact CG-CB 4.29Å; R570-V577 HydrophobicContact CG-CG1 4.02Å; R570-V577 HydrophobicContact CG-CG2 4.23Å
571	R	90.3	Very high	91.9	Very high	206 Å²	206	77.6 Å²	77.6	78%	0.777	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-82.6	-15.2	178.3	-58.9	-174.8	-179.5	-162.6	0.1	112.3	N568 A569	N568-R571 WeakPolarHBondContact O-CB 3.47Å; N568-R571 PolarHBondContact O-N 3.27Å; A569-R571 PolarHBondContact O-N 2.98Å; A569-R571 VanDerWaalsContact O-N 3.17Å
572	Y	89.4	Confident	91.7	Very high	46 Å²	46	79.5 Å²	79.5	18%	0.18	38%	0.382	C	S	.	.			trans	-106.3	112.6	-176.1	-65	-69.9	0	0	0	109.9	N564 E565 N568 A569 R570 H574 F575	N564-Y572 PolarHBondContact ND2-OH 3.07Å; N564-Y572 VanDerWaalsContact ND2-OH 3.11Å; E565-Y572 HydrophobicContact CG-CE2 4.38Å; N568-Y572 HydrophobicContact CB-CD2 4.34Å; N568-Y572 HydrophobicContact CB-CE2 3.73Å; N568-Y572 VanDerWaalsContact O-CD2 3.25Å; N568-Y572 WeakPolarHBondContact O-CD2 3.49Å; A569-Y572 PolarHBondContact O-N 2.83Å; R570-Y572 VanDerWaalsContact C-N 3.33Å; Y572-H574 AromaticContact CD1-CE1 3.94Å; Y572-H574 PolarHBondContact O-N 3.36Å; Y572-F575 VanDerWaalsContact CB-CD2 3.49Å; Y572-F575 HydrophobicContact CD2-CD2 4.21Å; Y572-F575 HydrophobicContact CD2-CE2 4.19Å; Y572-F575 HydrophobicContact CG-CD2 4.13Å; Y572-F575 HydrophobicContact CG-CE2 4.25Å; Y572-F575 PolarHBondContact O-N 3.11Å; Y572-F575 VanDerWaalsContact O-N 3.1Å
573	K	87	Confident	91.4	Very high	216 Å²	216	84 Å²	84	94%	0.939	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.5	-176.5	-66	179.6	179	177.4	0	114.5
574	H	88.8	Confident	91.2	Very high	34 Å²	34	82.9 Å²	82.9	16%	0.157	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-9.2	-176.9	57.5	-98.5	0	0	0	114.3	Y572 P585 F586 I619	Y572-H574 AromaticContact CD1-CE1 3.94Å; Y572-H574 PolarHBondContact O-N 3.36Å; H574-P585 HydrophobicContact CB-CG 4.33Å; H574-P585 WeakPolarHBondContact O-CD 3.35Å; H574-F586 AromaticContact CD2-CE2 3.8Å; H574-F586 AromaticContact CD2-CZ 3.91Å; H574-F586 AromaticContact NE2-CE2 3.73Å; H574-F586 AromaticContact NE2-CZ 3.9Å; H574-I619 HydrophobicContact CB-CD1 3.26Å
575	F	91.5	Very high	90.9	Very high	11 Å²	11	83 Å²	83	5%	0.048	40%	0.398	C	S	.	.	S	Bend	trans	-91.3	130.7	169.5	-73	-86.2	0	0	0	109.6	I561 E565 A569 Y572 V577 I582 S584 F586	I561-F575 HydrophobicContact CB-CE1 4.48Å; I561-F575 HydrophobicContact CD1-CD1 3.87Å; I561-F575 HydrophobicContact CD1-CE1 3.31Å; I561-F575 HydrophobicContact CD1-CZ 3.85Å; I561-F575 HydrophobicContact CG1-CE1 3.64Å; I561-F575 HydrophobicContact CG1-CZ 3.85Å; E565-F575 HydrophobicContact CB-CE2 4.13Å; E565-F575 HydrophobicContact CB-CZ 3.82Å; E565-F575 HydrophobicContact CG-CE2 4.19Å; E565-F575 HydrophobicContact CG-CZ 4.07Å; A569-F575 HydrophobicContact CB-CB 4.34Å; Y572-F575 VanDerWaalsContact CB-CD2 3.49Å; Y572-F575 HydrophobicContact CD2-CD2 4.21Å; Y572-F575 HydrophobicContact CD2-CE2 4.19Å; Y572-F575 HydrophobicContact CG-CD2 4.13Å; Y572-F575 HydrophobicContact CG-CE2 4.25Å; Y572-F575 PolarHBondContact O-N 3.11Å; Y572-F575 VanDerWaalsContact O-N 3.1Å; F575-V577 HydrophobicContact CB-CG2 4.41Å; F575-I582 HydrophobicContact CD1-CG2 3.94Å; F575-S584 WeakPolarHBondContact CE1-OG 3.36Å; F575-F586 HydrophobicContact CE2-CE2 4.35Å; F575-F586 HydrophobicContact CZ-CD2 4.16Å; F575-F586 AromaticContact CZ-CE2 3.97Å; F575-F586 HydrophobicContact CZ-CE2 3.97Å
576	K	91.1	Very high	90.7	Very high	118 Å²	118	83.3 Å²	83.3	51%	0.513	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	113.1	170.5	-56.6	173.3	-178.2	170.9	0	107.9	E583 Y629	K576-E583 HydrophobicContact CB-CB 4.14Å; K576-E583 WeakPolarHBondContact CD-OE2 3.2Å; K576-E583 PolarHBondContact N-O 3.03Å; K576-E583 VanDerWaalsContact N-O 3.16Å; K576-E583 PolarHBondContact O-N 3.14Å; K576-Y629 PolarHBondContact NZ-OH 3Å
577	V	90.5	Very high	90.5	Very high	52 Å²	52	80.9 Å²	80.9	32%	0.315	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	117.6	-178.6	-176.4	0	0	0	0	108.7	A569 R570 F575 I582	A569-V577 HydrophobicContact CB-CG2 3.61Å; R570-V577 HydrophobicContact CG-CB 4.29Å; R570-V577 HydrophobicContact CG-CG1 4.02Å; R570-V577 HydrophobicContact CG-CG2 4.23Å; F575-V577 HydrophobicContact CB-CG2 4.41Å; V577-I582 HydrophobicContact CG1-CG1 4.39Å
578	T	89.5	Confident	90.4	Very high	62 Å²	62	76.3 Å²	76.3	38%	0.38	37%	0.37	S	S	.	.			trans	-99.9	-178.7	170.4	75.9	0	0	0	0	110	T580 S581	T578-T580 PolarHBondContact O-N 2.95Å; T578-T580 PolarHBondContact OG1-N 2.9Å; T578-S581 PolarHBondContact N-O 2.82Å; T578-S581 PolarHBondContact OG1-N 3.06Å; T578-S581 PolarHBondContact OG1-O 2.86Å; T578-S581 PolarHBondContact OG1-OG 2.9Å
579	T	85.4	Confident	90.3	Very high	146 Å²	146	76.4 Å²	76.4	90%	0.896	38%	0.379	S	S	*	.	S	Bend	trans	-65.6	-27.1	174.5	46.6	0	0	0	0	112.9
580	T	86.5	Confident	90.3	Very high	133 Å²	133	79.1 Å²	79.1	82%	0.816	40%	0.396	S	S	*	.	S	Bend	trans	-118.6	-18.1	-172.6	55.8	0	0	0	0	113.9	T578	T578-T580 PolarHBondContact O-N 2.95Å; T578-T580 PolarHBondContact OG1-N 2.9Å
581	S	88.5	Confident	90.4	Very high	50 Å²	50	73.6 Å²	73.6	35%	0.35	39%	0.387	S	S	.	.			trans	-141	157.8	-172.1	70.2	0	0	0	0	113.4	T578	T578-S581 PolarHBondContact N-O 2.82Å; T578-S581 PolarHBondContact OG1-N 3.06Å; T578-S581 PolarHBondContact OG1-O 2.86Å; T578-S581 PolarHBondContact OG1-OG 2.9Å
582	I	91.4	Very high	90.5	Very high	45 Å²	45	67.8 Å²	67.8	23%	0.231	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	116.6	170.3	-60.2	170.4	0	0	0	106.5	I561 R566 A569 F575 V577	I561-I582 HydrophobicContact CD1-CG2 4.09Å; R566-I582 HydrophobicContact CG-CD1 4.18Å; A569-I582 HydrophobicContact CB-CD1 4Å; A569-I582 HydrophobicContact CB-CG1 4.43Å; A569-I582 HydrophobicContact CB-CG2 3.98Å; F575-I582 HydrophobicContact CD1-CG2 3.94Å; V577-I582 HydrophobicContact CG1-CG1 4.39Å
583	E	91.3	Very high	90.7	Very high	95 Å²	95	66 Å²	66	44%	0.444	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118	172.2	-57.2	178.9	-177.8	0	0	109.1	K576	K576-E583 HydrophobicContact CB-CB 4.14Å; K576-E583 WeakPolarHBondContact CD-OE2 3.2Å; K576-E583 PolarHBondContact N-O 3.03Å; K576-E583 VanDerWaalsContact N-O 3.16Å; K576-E583 PolarHBondContact O-N 3.14Å
584	S	92.3	Very high	91.1	Very high	9 Å²	9	58 Å²	58	6%	0.063	33%	0.326	C	S	.	.			trans	-92.9	130.4	174.4	178.8	0	0	0	0	109.5	L559 F575 F586 N587	L559-S584 WeakPolarHBondContact O-CB 3.24Å; L559-S584 PolarHBondContact O-OG 3.46Å; F575-S584 WeakPolarHBondContact CE1-OG 3.36Å; S584-F586 PolarHBondContact O-N 3.38Å; S584-F586 VanDerWaalsContact O-N 3.17Å; S584-F586 PolarHBondContact OG-N 2.93Å; S584-N587 WeakPolarHBondContact O-CB 3.47Å; S584-N587 PolarHBondContact O-N 2.66Å
585	P	91.5	Very high	91.3	Very high	10 Å²	10	57 Å²	57	7%	0.065	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-9.3	172.4	31.5	-35.5	0	0	0	112.2	H574 I619	H574-P585 HydrophobicContact CB-CG 4.33Å; H574-P585 WeakPolarHBondContact O-CD 3.35Å; P585-I619 HydrophobicContact CG-CD1 4.28Å
586	F	91.9	Very high	91.4	Very high	7 Å²	7	57.7 Å²	57.7	3%	0.031	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	7.8	179.6	-43.7	-63.1	0	0	0	112.9	V448 R449 H574 F575 S584 W613 I619 L631	V448-F586 HydrophobicContact CG1-CZ 3.95Å; R449-F586 HydrophobicContact CG-CE1 4.37Å; R449-F586 HydrophobicContact CG-CE2 3.84Å; R449-F586 HydrophobicContact CG-CZ 3.74Å; H574-F586 AromaticContact CD2-CE2 3.8Å; H574-F586 AromaticContact CD2-CZ 3.91Å; H574-F586 AromaticContact NE2-CE2 3.73Å; H574-F586 AromaticContact NE2-CZ 3.9Å; F575-F586 HydrophobicContact CE2-CE2 4.35Å; F575-F586 HydrophobicContact CZ-CD2 4.16Å; F575-F586 AromaticContact CZ-CE2 3.97Å; F575-F586 HydrophobicContact CZ-CE2 3.97Å; S584-F586 PolarHBondContact O-N 3.38Å; S584-F586 VanDerWaalsContact O-N 3.17Å; S584-F586 PolarHBondContact OG-N 2.93Å; F586-W613 AromaticContact CD1-CH2 3.78Å; F586-W613 HydrophobicContact CD1-CH2 3.78Å; F586-W613 HydrophobicContact CD1-CZ3 4.46Å; F586-W613 AromaticContact CE1-CH2 3.9Å; F586-W613 HydrophobicContact CE1-CH2 3.9Å; F586-W613 HydrophobicContact CE1-CZ3 4.13Å; F586-I619 HydrophobicContact CE1-CD1 4.2Å; F586-I619 HydrophobicContact CE1-CG1 4.22Å; F586-I619 HydrophobicContact CZ-CD1 3.86Å; F586-I619 HydrophobicContact CZ-CG1 4.27Å; F586-L631 HydrophobicContact CD1-CD1 3.78Å; F586-L631 HydrophobicContact CE1-CD1 3.97Å
587	N	92.2	Very high	91.6	Very high	52 Å²	52	53 Å²	53	28%	0.278	31%	0.305	S	S	.	.			trans	-91	110.4	177.4	-175.3	9.6	0	0	0	110	C558 S584 G589 N593	C558-N587 PolarHBondContact O-ND2 2.71Å; S584-N587 WeakPolarHBondContact O-CB 3.47Å; S584-N587 PolarHBondContact O-N 2.66Å; N587-G589 PolarHBondContact OD1-N 3.36Å; N587-N593 PolarHBondContact OD1-ND2 3.21Å
588	H	89.9	Confident	91.7	Very high	55 Å²	55	53.4 Å²	53.4	26%	0.255	30%	0.303	S	S	.	.			trans	-101.7	14.9	177.4	-50	140.2	0	0	0	112.7	R592 N593 D596 Y629	H588-R592 HydrophobicContact CB-CB 3.86Å; H588-R592 HydrophobicContact CB-CG 3.49Å; H588-R592 VanDerWaalsContact CB-CG 3.49Å; H588-R592 WeakPolarHBondContact O-CB 3.49Å; H588-N593 PolarHBondContact N-OD1 2.9Å; H588-D596 IonicContact ND1-OD2 2.7Å; H588-D596 PolarHBondContact ND1-OD2 2.74Å; H588-Y629 PolarHBondContact CD2-O 3.09Å; H588-Y629 VanDerWaalsContact CD2-O 3.3Å; H588-Y629 PolarHBondContact NE2-O 3.09Å
589	G	92	Very high	91.8	Very high	33 Å²	33	54.1 Å²	54.1	34%	0.34	30%	0.302	S	S	.	.			trans	91.4	156.8	-174	0	0	0	0	0	113.4	N587 V591 R592 N593	N587-G589 PolarHBondContact OD1-N 3.36Å; G589-V591 PolarHBondContact O-N 3.08Å; G589-R592 PolarHBondContact O-N 3.46Å; G589-R592 VanDerWaalsContact O-N 3.15Å; G589-N593 WeakPolarHBondContact O-CB 3.42Å; G589-N593 VanDerWaalsContact O-CG 3.25Å; G589-N593 PolarHBondContact O-N 2.78Å; G589-N593 PolarHBondContact O-ND2 3.36Å
590	C	94.3	Very high	92	Very high	61 Å²	61	52 Å²	52	41%	0.412	28%	0.28	S	S	.	.	H	α-helix	trans	-53.5	-52.3	-166.1	-170.2	0	0	0	0	114.1	S557 I594	S557-C590 VanDerWaalsContact O-CA 3.29Å; S557-C590 WeakPolarHBondContact O-CA 3.35Å; C590-I594 VanDerWaalsContact O-CG1 3.31Å; C590-I594 WeakPolarHBondContact O-CG1 3.32Å; C590-I594 PolarHBondContact O-N 2.81Å
591	V	92.7	Very high	92.1	Very high	104 Å²	104	54.7 Å²	54.7	63%	0.63	28%	0.275	S	S	*	.	H	α-helix	trans	-64.8	-43.4	-178.7	178.1	0	0	0	0	111.2	G589 I594 I595	G589-V591 PolarHBondContact O-N 3.08Å; V591-I594 PolarHBondContact O-N 3.31Å; V591-I595 HydrophobicContact CG1-CD1 3.88Å; V591-I595 WeakPolarHBondContact O-CG1 3.37Å; V591-I595 PolarHBondContact O-N 3.03Å
592	R	92.6	Very high	92	Very high	84 Å²	84	54.7 Å²	54.7	32%	0.317	28%	0.275	S	S	.	.	H	α-helix	trans	-67.8	-42.6	-177.3	-174.4	59.6	-178.2	-163.3	2.1	111.7	H588 G589 I594 I595 D596 R607	H588-R592 HydrophobicContact CB-CB 3.86Å; H588-R592 HydrophobicContact CB-CG 3.49Å; H588-R592 VanDerWaalsContact CB-CG 3.49Å; H588-R592 WeakPolarHBondContact O-CB 3.49Å; G589-R592 PolarHBondContact O-N 3.46Å; G589-R592 VanDerWaalsContact O-N 3.15Å; R592-I594 VanDerWaalsContact C-N 3.3Å; R592-I594 PolarHBondContact O-N 3.34Å; R592-I595 PolarHBondContact O-N 2.92Å; R592-D596 IonicContact CZ-OD1 2.71Å; R592-D596 IonicContact NE-OD1 3.65Å; R592-D596 PolarHBondContact NE-OD1 3Å; R592-D596 IonicContact NE-OD2 3.62Å; R592-D596 PolarHBondContact NE-OD2 2.89Å; R592-D596 IonicContact NH2-OD1 3.68Å; R592-D596 WeakPolarHBondContact O-CB 3.39Å; R592-D596 VanDerWaalsContact O-CG 3.29Å; R592-D596 PolarHBondContact O-N 3.1Å; R592-R607 PolarHBondContact NH1-O 3.15Å; R592-R607 VanDerWaalsContact NH1-O 3.14Å; R592-R607 PolarHBondContact NH2-O 2.86Å
593	N	94.5	Very high	91.6	Very high	9 Å²	9	59.1 Å²	59.1	5%	0.048	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-39.5	176.1	-68.7	-13.8	0	0	0	112.3	I556 S557 N587 H588 G589 F597	I556-N593 WeakPolarHBondContact O-CB 3.41Å; S557-N593 WeakPolarHBondContact O-CB 3.45Å; S557-N593 PolarHBondContact O-ND2 3.39Å; N587-N593 PolarHBondContact OD1-ND2 3.21Å; H588-N593 PolarHBondContact N-OD1 2.9Å; G589-N593 WeakPolarHBondContact O-CB 3.42Å; G589-N593 VanDerWaalsContact O-CG 3.25Å; G589-N593 PolarHBondContact O-N 2.78Å; G589-N593 PolarHBondContact O-ND2 3.36Å; N593-F597 WeakPolarHBondContact O-CB 3.3Å; N593-F597 PolarHBondContact O-N 3.34Å
594	I	94.5	Very high	91.1	Very high	49 Å²	49	56.9 Å²	56.9	25%	0.251	31%	0.31	S	S	.	.	H	α-helix	trans	-63.6	-47.5	175.5	-70.2	168.5	0	0	0	110.3	C590 V591 R592 D596 F597 F598 F600	C590-I594 VanDerWaalsContact O-CG1 3.31Å; C590-I594 WeakPolarHBondContact O-CG1 3.32Å; C590-I594 PolarHBondContact O-N 2.81Å; V591-I594 PolarHBondContact O-N 3.31Å; R592-I594 VanDerWaalsContact C-N 3.3Å; R592-I594 PolarHBondContact O-N 3.34Å; I594-D596 PolarHBondContact O-N 2.77Å; I594-F597 PolarHBondContact O-N 3.1Å; I594-F598 HydrophobicContact CG2-CD2 3.94Å; I594-F598 HydrophobicContact CG2-CE2 4.39Å; I594-F598 WeakPolarHBondContact O-CD2 3.41Å; I594-F598 PolarHBondContact O-N 3.06Å; I594-F600 HydrophobicContact CG2-CD2 4.38Å; I594-F600 HydrophobicContact CG2-CE2 4Å
595	I	93.5	Very high	90.5	Very high	12 Å²	12	63.1 Å²	63.1	6%	0.062	34%	0.343	C	S	.	.	H	α-helix	trans	-59	-48.6	178	-70	165.9	0	0	0	110.6	V591 R592 E599 F600 F606 P608	V591-I595 HydrophobicContact CG1-CD1 3.88Å; V591-I595 WeakPolarHBondContact O-CG1 3.37Å; V591-I595 PolarHBondContact O-N 3.03Å; R592-I595 PolarHBondContact O-N 2.92Å; I595-E599 VanDerWaalsContact O-CA 3.29Å; I595-E599 WeakPolarHBondContact O-CA 3.37Å; I595-E599 PolarHBondContact O-N 2.94Å; I595-F600 PolarHBondContact O-N 3.19Å; I595-F600 VanDerWaalsContact O-N 3.12Å; I595-F606 HydrophobicContact CD1-CB 4.29Å; I595-F606 HydrophobicContact CD1-CD1 3.57Å; I595-F606 HydrophobicContact CD1-CD2 4.28Å; I595-F606 HydrophobicContact CD1-CE1 3.93Å; I595-F606 HydrophobicContact CD1-CG 3.79Å; I595-F606 HydrophobicContact CD1-CZ 4.43Å; I595-F606 HydrophobicContact CG1-CD1 4.48Å; I595-F606 HydrophobicContact CG1-CD2 4.38Å; I595-F606 HydrophobicContact CG1-CG 4.23Å; I595-F606 HydrophobicContact CG2-CB 3.99Å; I595-P608 HydrophobicContact CG2-CB 4.15Å
596	D	92.5	Very high	90.3	Very high	25 Å²	25	66.8 Å²	66.8	13%	0.134	36%	0.358	C	S	.	.	H	α-helix	trans	-66	-40.1	-178.7	-68	-18.9	0	0	0	111.4	H588 R592 I594 P608 V609	H588-D596 IonicContact ND1-OD2 2.7Å; H588-D596 PolarHBondContact ND1-OD2 2.74Å; R592-D596 IonicContact CZ-OD1 2.71Å; R592-D596 IonicContact NE-OD1 3.65Å; R592-D596 PolarHBondContact NE-OD1 3Å; R592-D596 IonicContact NE-OD2 3.62Å; R592-D596 PolarHBondContact NE-OD2 2.89Å; R592-D596 IonicContact NH2-OD1 3.68Å; R592-D596 WeakPolarHBondContact O-CB 3.39Å; R592-D596 VanDerWaalsContact O-CG 3.29Å; R592-D596 PolarHBondContact O-N 3.1Å; I594-D596 PolarHBondContact O-N 2.77Å; D596-P608 WeakPolarHBondContact OD1-CA 3.31Å; D596-V609 PolarHBondContact OD1-N 3.3Å
597	F	95.2	Very high	89.9	Confident	20 Å²	20	75.4 Å²	75.4	9%	0.088	39%	0.39	C	S	.	.	H	α-helix	trans	-71.1	-44.4	-178.7	-179.3	-90.8	0	0	0	113.7	H479 R480 M483 I556 N593 I594 E599	H479-F597 HydrophobicContact CB-CE2 3.9Å; H479-F597 HydrophobicContact CB-CZ 3.89Å; H479-F597 AromaticContact CD2-CZ 3.75Å; H479-F597 AromaticContact CG-CE2 3.6Å; H479-F597 AromaticContact CG-CZ 3.63Å; H479-F597 AromaticContact ND1-CE2 3.68Å; R480-F597 HydrophobicContact CB-CE1 4.32Å; M483-F597 HydrophobicContact CB-CE1 4.31Å; M483-F597 HydrophobicContact CG-CE1 3.76Å; M483-F597 HydrophobicContact CG-CZ 3.71Å; I556-F597 HydrophobicContact CB-CD2 4.45Å; I556-F597 HydrophobicContact CD1-CD1 4.48Å; I556-F597 HydrophobicContact CD1-CD2 4.24Å; I556-F597 HydrophobicContact CD1-CE1 3.92Å; I556-F597 HydrophobicContact CD1-CE2 3.64Å; I556-F597 HydrophobicContact CD1-CZ 3.46Å; I556-F597 VanDerWaalsContact CD1-CZ 3.46Å; I556-F597 HydrophobicContact CG1-CD2 4.09Å; I556-F597 HydrophobicContact CG1-CE2 3.84Å; I556-F597 HydrophobicContact CG1-CZ 4.19Å; I556-F597 HydrophobicContact CG2-CB 3.66Å; I556-F597 HydrophobicContact CG2-CD1 3.82Å; I556-F597 HydrophobicContact CG2-CD2 3.51Å; I556-F597 HydrophobicContact CG2-CE1 4.35Å; I556-F597 HydrophobicContact CG2-CE2 4.07Å; I556-F597 HydrophobicContact CG2-CG 3.37Å; I556-F597 HydrophobicContact CG2-CZ 4.46Å; N593-F597 WeakPolarHBondContact O-CB 3.3Å; N593-F597 PolarHBondContact O-N 3.34Å; I594-F597 PolarHBondContact O-N 3.1Å; F597-E599 VanDerWaalsContact C-N 3.31Å
598	F	93.7	Very high	89.6	Confident	60 Å²	60	73.8 Å²	73.8	26%	0.263	38%	0.382	S	S	.	.	H	α-helix	trans	-88.2	-1	179	-70.3	-73.9	0	0	0	113.2	M483 M553 I594 F600	M483-F598 HydrophobicContact CB-CE1 4.41Å; M483-F598 HydrophobicContact CB-CZ 4.44Å; M553-F598 HydrophobicContact CE-CE2 4.5Å; M553-F598 HydrophobicContact CE-CZ 4.36Å; I594-F598 HydrophobicContact CG2-CD2 3.94Å; I594-F598 HydrophobicContact CG2-CE2 4.39Å; I594-F598 WeakPolarHBondContact O-CD2 3.41Å; I594-F598 PolarHBondContact O-N 3.06Å; F598-F600 HydrophobicContact CB-CD1 3.78Å; F598-F600 HydrophobicContact CB-CD2 4Å; F598-F600 HydrophobicContact CB-CE1 3.48Å; F598-F600 VanDerWaalsContact CB-CE1 3.48Å; F598-F600 HydrophobicContact CB-CE2 3.71Å; F598-F600 HydrophobicContact CB-CG 4.04Å; F598-F600 HydrophobicContact CB-CZ 3.44Å; F598-F600 VanDerWaalsContact CB-CZ 3.44Å; F598-F600 HydrophobicContact CD1-CZ 4.42Å; F598-F600 HydrophobicContact CD2-CE2 4.08Å; F598-F600 HydrophobicContact CD2-CZ 4.1Å; F598-F600 HydrophobicContact CG-CE1 4.18Å; F598-F600 HydrophobicContact CG-CE2 4.11Å; F598-F600 AromaticContact CG-CZ 3.75Å; F598-F600 HydrophobicContact CG-CZ 3.75Å; F598-F600 PolarHBondContact O-N 2.98Å
599	E	91.9	Very high	89.4	Confident	78 Å²	78	74 Å²	74	36%	0.364	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	37.9	-178	-62.6	170.3	-148.4	0	0	112.7	R480 I595 F597 R601 P608 I610	R480-E599 IonicContact NH1-OE1 2.95Å; R480-E599 PolarHBondContact NH1-OE1 3.23Å; R480-E599 IonicContact NH1-OE2 2.74Å; R480-E599 PolarHBondContact NH1-OE2 2.82Å; I595-E599 VanDerWaalsContact O-CA 3.29Å; I595-E599 WeakPolarHBondContact O-CA 3.37Å; I595-E599 PolarHBondContact O-N 2.94Å; F597-E599 VanDerWaalsContact C-N 3.31Å; E599-R601 PolarHBondContact O-N 3.45Å; E599-P608 HydrophobicContact CB-CG 4.45Å; E599-I610 HydrophobicContact CG-CG1 4.46Å
600	F	89.4	Confident	89.1	Confident	101 Å²	101	77 Å²	77	44%	0.443	39%	0.394	S	S	.	.			trans	-65.9	126	-178	-68.6	-32	0	0	0	111.4	I594 I595 F598 F606 P608	I594-F600 HydrophobicContact CG2-CD2 4.38Å; I594-F600 HydrophobicContact CG2-CE2 4Å; I595-F600 PolarHBondContact O-N 3.19Å; I595-F600 VanDerWaalsContact O-N 3.12Å; F598-F600 HydrophobicContact CB-CD1 3.78Å; F598-F600 HydrophobicContact CB-CD2 4Å; F598-F600 HydrophobicContact CB-CE1 3.48Å; F598-F600 VanDerWaalsContact CB-CE1 3.48Å; F598-F600 HydrophobicContact CB-CE2 3.71Å; F598-F600 HydrophobicContact CB-CG 4.04Å; F598-F600 HydrophobicContact CB-CZ 3.44Å; F598-F600 VanDerWaalsContact CB-CZ 3.44Å; F598-F600 HydrophobicContact CD1-CZ 4.42Å; F598-F600 HydrophobicContact CD2-CE2 4.08Å; F598-F600 HydrophobicContact CD2-CZ 4.1Å; F598-F600 HydrophobicContact CG-CE1 4.18Å; F598-F600 HydrophobicContact CG-CE2 4.11Å; F598-F600 AromaticContact CG-CZ 3.75Å; F598-F600 HydrophobicContact CG-CZ 3.75Å; F598-F600 PolarHBondContact O-N 2.98Å; F600-F606 WeakPolarHBondContact O-CB 3.47Å; F600-P608 WeakPolarHBondContact O-CD 3.23Å
601	R	88.6	Confident	88.9	Confident	189 Å²	189	75.8 Å²	75.8	71%	0.713	39%	0.385	S	S	*	.			trans	-116.3	121	173.4	-62.5	-178.1	-178.7	-143	-0.2	108.5	E599 P608	E599-R601 PolarHBondContact O-N 3.45Å; R601-P608 HydrophobicContact CG-CG 4.16Å
602	C	86.6	Confident	88.9	Confident	51 Å²	51	74.9 Å²	74.9	35%	0.345	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-127.2	97.9	176.1	-178.2	0	0	0	0	108.9	G604 L605 F606	C602-G604 CarbonylContact O-C 3.48Å; C602-G604 PolarHBondContact O-N 2.95Å; C602-L605 WeakPolarHBondContact O-CB 3.47Å; C602-L605 PolarHBondContact O-N 2.9Å; C602-F606 HydrophobicContact CB-CB 4.37Å; C602-F606 HydrophobicContact CB-CD2 3.57Å; C602-F606 HydrophobicContact CB-CE2 4.07Å; C602-F606 HydrophobicContact CB-CG 4.11Å
603	C	83.4	Confident	89	Confident	138 Å²	138	72.2 Å²	72.2	93%	0.932	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.3	32	172.8	-58.2	0	0	0	0	116.1	L605	C603-L605 VanDerWaalsContact C-N 3.35Å; C603-L605 PolarHBondContact O-N 3.31Å
604	G	79.2	Confident	89.1	Confident	47 Å²	47	73.5 Å²	73.5	49%	0.485	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-12.2	-175.7	0	0	0	0	0	116.8	C602	C602-G604 CarbonylContact O-C 3.48Å; C602-G604 PolarHBondContact O-N 2.95Å
605	L	81.3	Confident	89	Confident	141 Å²	141	80 Å²	80	74%	0.738	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-42.2	173.5	-67.8	168.3	0	0	0	111.6	C602 C603	C602-L605 WeakPolarHBondContact O-CB 3.47Å; C602-L605 PolarHBondContact O-N 2.9Å; C603-L605 VanDerWaalsContact C-N 3.35Å; C603-L605 PolarHBondContact O-N 3.31Å
606	F	85.9	Confident	88.9	Confident	87 Å²	87	81.1 Å²	81.1	38%	0.382	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-106.1	115.9	174.9	-57.2	-25.7	0	0	0	109.6	I595 F600 C602	I595-F606 HydrophobicContact CD1-CB 4.29Å; I595-F606 HydrophobicContact CD1-CD1 3.57Å; I595-F606 HydrophobicContact CD1-CD2 4.28Å; I595-F606 HydrophobicContact CD1-CE1 3.93Å; I595-F606 HydrophobicContact CD1-CG 3.79Å; I595-F606 HydrophobicContact CD1-CZ 4.43Å; I595-F606 HydrophobicContact CG1-CD1 4.48Å; I595-F606 HydrophobicContact CG1-CD2 4.38Å; I595-F606 HydrophobicContact CG1-CG 4.23Å; I595-F606 HydrophobicContact CG2-CB 3.99Å; F600-F606 WeakPolarHBondContact O-CB 3.47Å; C602-F606 HydrophobicContact CB-CB 4.37Å; C602-F606 HydrophobicContact CB-CD2 3.57Å; C602-F606 HydrophobicContact CB-CE2 4.07Å; C602-F606 HydrophobicContact CB-CG 4.11Å
607	R	84	Confident	88.9	Confident	188 Å²	188	84.1 Å²	84.1	71%	0.709	41%	0.411	S	S	*	.			trans	-116.4	92.9	174.7	-64.3	-175.9	-174.3	-169	-0.6	108.6	R592	R592-R607 PolarHBondContact NH1-O 3.15Å; R592-R607 VanDerWaalsContact NH1-O 3.14Å; R592-R607 PolarHBondContact NH2-O 2.86Å
608	P	86.8	Confident	88.4	Confident	18 Å²	18	86.5 Å²	86.5	12%	0.117	43%	0.428	C	S	.	.			trans	-65.5	140.4	-179.1	27.5	-33.5	0	0	0	110.6	I595 D596 E599 F600 R601 I610	I595-P608 HydrophobicContact CG2-CB 4.15Å; D596-P608 WeakPolarHBondContact OD1-CA 3.31Å; E599-P608 HydrophobicContact CB-CG 4.45Å; F600-P608 WeakPolarHBondContact O-CD 3.23Å; R601-P608 HydrophobicContact CG-CG 4.16Å; P608-I610 PolarHBondContact O-N 3.25Å
609	V	85	Confident	87.8	Confident	59 Å²	59	85.3 Å²	85.3	36%	0.358	42%	0.424	S	S	.	.			trans	-78.2	106.3	169.7	-168.4	0	0	0	0	108.5	D596 V611	D596-V609 PolarHBondContact OD1-N 3.3Å; V609-V611 HydrophobicContact CG1-CG2 3.79Å
610	I	85.8	Confident	86.7	Confident	96 Å²	96	86 Å²	86	49%	0.492	43%	0.427	S	S	.	.			trans	-93.9	107.7	177.2	-58.8	173.7	0	0	0	108.1	E599 P608	E599-I610 HydrophobicContact CG-CG1 4.46Å; P608-I610 PolarHBondContact O-N 3.25Å
611	V	90.2	Very high	85	Confident	35 Å²	35	86.9 Å²	86.9	21%	0.212	43%	0.428	C	S	.	.			trans	-106.5	127.4	178.9	-176.9	0	0	0	0	109.6	V609 W613 Q616	V609-V611 HydrophobicContact CG1-CG2 3.79Å; V611-W613 HydrophobicContact CB-CD2 4.34Å; V611-W613 HydrophobicContact CB-CZ2 4.04Å; V611-W613 HydrophobicContact CG1-CD2 3.94Å; V611-W613 HydrophobicContact CG1-CE3 4.13Å; V611-W613 HydrophobicContact CG1-CG 4.46Å; V611-W613 HydrophobicContact CG1-CH2 4.29Å; V611-W613 HydrophobicContact CG1-CZ2 4.07Å; V611-W613 HydrophobicContact CG1-CZ3 4.29Å; V611-W613 HydrophobicContact CG2-CZ2 4.31Å; V611-W613 VanDerWaalsContact O-CD1 3.24Å; V611-W613 PolarHBondContact O-N 3.4Å; V611-Q616 HydrophobicContact CG1-CB 4.39Å; V611-Q616 HydrophobicContact CG1-CG 4.43Å
612	D	93.2	Very high	83	Confident	85 Å²	85	79.4 Å²	79.4	46%	0.455	40%	0.402	S	S	.	.			trans	-77	88.1	168.6	-177.2	5.7	0	0	0	110.6	T614 R615 Q616	D612-T614 VanDerWaalsContact CG-OG1 3.27Å; D612-T614 PolarHBondContact O-N 2.73Å; D612-T614 VanDerWaalsContact OD1-CB 3.31Å; D612-T614 WeakPolarHBondContact OD1-CB 3.13Å; D612-T614 WeakPolarHBondContact OD1-CG2 3.48Å; D612-T614 PolarHBondContact OD1-N 3.03Å; D612-T614 PolarHBondContact OD1-OG1 2.72Å; D612-T614 PolarHBondContact OD2-OG1 2.98Å; D612-R615 PolarHBondContact O-N 2.96Å; D612-R615 VanDerWaalsContact O-N 3.07Å; D612-Q616 PolarHBondContact O-N 2.97Å
613	W	95	Very high	80.9	Confident	28 Å²	28	85.9 Å²	85.9	11%	0.106	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-8.1	178.3	-64.8	104.8	0	0	0	114.4	P447 R449 A461 K462 A476 F586 V611 R615 Q616 L631	P447-W613 WeakPolarHBondContact CB-O 3.34Å; R449-W613 HydrophobicContact CB-CE3 4.07Å; R449-W613 HydrophobicContact CB-CZ3 4.41Å; R449-W613 HydrophobicContact CG-CE3 3.8Å; R449-W613 HydrophobicContact CG-CH2 4.29Å; R449-W613 HydrophobicContact CG-CZ3 3.64Å; A461-W613 HydrophobicContact CB-CB 4.08Å; A461-W613 WeakPolarHBondContact CB-O 3.27Å; K462-W613 HydrophobicContact CB-CB 4.16Å; K462-W613 HydrophobicContact CB-CG 4.06Å; K462-W613 HydrophobicContact CD-CG 4.34Å; A476-W613 HydrophobicContact CB-CB 4.28Å; F586-W613 AromaticContact CD1-CH2 3.78Å; F586-W613 HydrophobicContact CD1-CH2 3.78Å; F586-W613 HydrophobicContact CD1-CZ3 4.46Å; F586-W613 AromaticContact CE1-CH2 3.9Å; F586-W613 HydrophobicContact CE1-CH2 3.9Å; F586-W613 HydrophobicContact CE1-CZ3 4.13Å; V611-W613 HydrophobicContact CB-CD2 4.34Å; V611-W613 HydrophobicContact CB-CZ2 4.04Å; V611-W613 HydrophobicContact CG1-CD2 3.94Å; V611-W613 HydrophobicContact CG1-CE3 4.13Å; V611-W613 HydrophobicContact CG1-CG 4.46Å; V611-W613 HydrophobicContact CG1-CH2 4.29Å; V611-W613 HydrophobicContact CG1-CZ2 4.07Å; V611-W613 HydrophobicContact CG1-CZ3 4.29Å; V611-W613 HydrophobicContact CG2-CZ2 4.31Å; V611-W613 VanDerWaalsContact O-CD1 3.24Å; V611-W613 PolarHBondContact O-N 3.4Å; W613-R615 VanDerWaalsContact C-N 3.28Å; W613-Q616 HydrophobicContact CE3-CB 4.1Å; W613-Q616 HydrophobicContact CE3-CG 4.38Å; W613-Q616 HydrophobicContact CZ3-CB 4.44Å; W613-Q616 HydrophobicContact CZ3-CG 4.22Å; W613-L631 HydrophobicContact CH2-CD1 3.43Å; W613-L631 VanDerWaalsContact CH2-CD1 3.43Å; W613-L631 HydrophobicContact CZ2-CD1 4.26Å; W613-L631 HydrophobicContact CZ3-CD1 4.11Å
614	T	95.1	Very high	78.9	Confident	36 Å²	36	86.9 Å²	86.9	22%	0.221	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-16.6	174.3	73.7	0	0	0	0	112.6	P447 A461 D612	P447-T614 WeakPolarHBondContact CG-O 3.28Å; A461-T614 HydrophobicContact CB-CG2 3.71Å; D612-T614 VanDerWaalsContact CG-OG1 3.27Å; D612-T614 PolarHBondContact O-N 2.73Å; D612-T614 VanDerWaalsContact OD1-CB 3.31Å; D612-T614 WeakPolarHBondContact OD1-CB 3.13Å; D612-T614 WeakPolarHBondContact OD1-CG2 3.48Å; D612-T614 PolarHBondContact OD1-N 3.03Å; D612-T614 PolarHBondContact OD1-OG1 2.72Å; D612-T614 PolarHBondContact OD2-OG1 2.98Å
615	R	92.5	Very high	77.2	Confident	185 Å²	185	85.7 Å²	85.7	70%	0.698	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.2	2.5	-175.7	-64.4	179.8	177.8	-167.5	-0.7	114.2	D612 W613 Y617	D612-R615 PolarHBondContact O-N 2.96Å; D612-R615 VanDerWaalsContact O-N 3.07Å; W613-R615 VanDerWaalsContact C-N 3.28Å; R615-Y617 WeakPolarHBondContact O-CD2 3.17Å; R615-Y617 VanDerWaalsContact O-CE2 3.22Å; R615-Y617 WeakPolarHBondContact O-CE2 3.48Å; R615-Y617 PolarHBondContact O-N 2.97Å
616	Q	92.8	Very high	75.2	Confident	37 Å²	37	83.3 Å²	83.3	17%	0.173	42%	0.415	C	S	.	.			trans	-81.9	108.8	177.5	-165.7	65.6	17.3	0	0	111.7	P447 V448 V611 D612 W613 T618	P447-Q616 CarbonylContact C-O 3.54Å; P447-Q616 WeakPolarHBondContact CA-O 3.39Å; P447-Q616 VanDerWaalsContact CB-O 3.29Å; P447-Q616 WeakPolarHBondContact CB-O 3.4Å; V448-Q616 PolarHBondContact N-O 3.4Å; V611-Q616 HydrophobicContact CG1-CB 4.39Å; V611-Q616 HydrophobicContact CG1-CG 4.43Å; D612-Q616 PolarHBondContact O-N 2.97Å; W613-Q616 HydrophobicContact CE3-CB 4.1Å; W613-Q616 HydrophobicContact CE3-CG 4.38Å; W613-Q616 HydrophobicContact CZ3-CB 4.44Å; W613-Q616 HydrophobicContact CZ3-CG 4.22Å; Q616-T618 WeakPolarHBondContact CG-O 3.35Å; Q616-T618 PolarHBondContact NE2-O 3.09Å
617	Y	90.7	Very high	73.1	Confident	87 Å²	87	83.8 Å²	83.8	34%	0.341	43%	0.43	S	S	.	.			trans	-108.3	-13.2	-177.6	-59.6	-71.8	0	0	0	115	R445 P447 V448 R615	R445-Y617 HydrophobicContact CB-CD1 4.27Å; R445-Y617 HydrophobicContact CB-CE1 3.9Å; R445-Y617 HydrophobicContact CG-CD1 3.68Å; R445-Y617 HydrophobicContact CG-CE1 3.84Å; R445-Y617 WeakPolarHBondContact O-CE1 3.19Å; P447-Y617 HydrophobicContact CB-CE1 4.39Å; P447-Y617 HydrophobicContact CG-CD1 4.44Å; P447-Y617 HydrophobicContact CG-CE1 3.85Å; V448-Y617 WeakPolarHBondContact CG2-O 3.5Å; R615-Y617 WeakPolarHBondContact O-CD2 3.17Å; R615-Y617 VanDerWaalsContact O-CE2 3.22Å; R615-Y617 WeakPolarHBondContact O-CE2 3.48Å; R615-Y617 PolarHBondContact O-N 2.97Å
618	T	86.5	Confident	71	Confident	71 Å²	71	76.8 Å²	76.8	44%	0.436	42%	0.416	S	S	.	.			trans	-124	155.1	179.6	47.8	0	0	0	0	110	Q616	Q616-T618 WeakPolarHBondContact CG-O 3.35Å; Q616-T618 PolarHBondContact NE2-O 3.09Å
619	I	80.8	Confident	68.8	Low	35 Å²	35	80.6 Å²	80.6	18%	0.179	43%	0.429	C	S	.	.			trans	-104.5	105.2	165.9	-61.9	174	0	0	0	104.5	V448 H574 P585 F586 Y621 L631	V448-I619 HydrophobicContact CG1-CD1 3.74Å; V448-I619 HydrophobicContact CG1-CG1 3.74Å; V448-I619 HydrophobicContact CG2-CG1 4.25Å; H574-I619 HydrophobicContact CB-CD1 3.26Å; P585-I619 HydrophobicContact CG-CD1 4.28Å; F586-I619 HydrophobicContact CE1-CD1 4.2Å; F586-I619 HydrophobicContact CE1-CG1 4.22Å; F586-I619 HydrophobicContact CZ-CD1 3.86Å; F586-I619 HydrophobicContact CZ-CG1 4.27Å; I619-Y621 HydrophobicContact CG2-CD1 4.44Å; I619-Y621 HydrophobicContact CG2-CE1 4.12Å; I619-Y621 HydrophobicContact CG2-CE2 4.34Å; I619-L631 HydrophobicContact CB-CD2 4.15Å; I619-L631 HydrophobicContact CG1-CD2 4.49Å; I619-L631 HydrophobicContact CG2-CD2 3.76Å
620	E	67.2	Low	66.6	Low	93 Å²	93	82.4 Å²	82.4	44%	0.435	43%	0.433	S	S	.	.			trans	-81.2	132.3	169.8	-62.2	-168.6	-165.8	0	0	107.6	V632	E620-V632 HydrophobicContact CB-CB 4.01Å; E620-V632 HydrophobicContact CB-CG2 4.15Å; E620-V632 WeakPolarHBondContact OE2-CB 3.41Å
621	Y	54.4	Low	64.4	Low	119 Å²	119	79 Å²	79	47%	0.467	42%	0.416	S	S	.	.			trans	-100.9	107.7	176.3	-68.2	-76.2	0	0	0	107.7	I619 Q623 Y629	I619-Y621 HydrophobicContact CG2-CD1 4.44Å; I619-Y621 HydrophobicContact CG2-CE1 4.12Å; I619-Y621 HydrophobicContact CG2-CE2 4.34Å; Y621-Q623 PolarHBondContact O-N 2.86Å; Y621-Y629 AromaticContact CD1-CD1 3.5Å; Y621-Y629 HydrophobicContact CD1-CD1 3.5Å; Y621-Y629 HydrophobicContact CD1-CE1 4.17Å; Y621-Y629 HydrophobicContact CD1-CG 4.23Å; Y621-Y629 AromaticContact CE1-CD1 3.88Å; Y621-Y629 HydrophobicContact CE1-CD1 3.88Å; Y621-Y629 HydrophobicContact CE1-CE1 4.25Å; Y621-Y629 HydrophobicContact CE1-CG 4.5Å
622	D	46.9	Very low	62	Low	32 Å²	32	83.6 Å²	83.6	17%	0.171	44%	0.444	C	S	.	.	B	Isolated β-bridge	trans	-68.9	114.9	162.5	-176.5	19.8	0	0	0	108.9	I624 S625 Q630 V632	D622-I624 VanDerWaalsContact OD1-CB 3.27Å; D622-I624 WeakPolarHBondContact OD1-CB 2.97Å; D622-I624 WeakPolarHBondContact OD1-CG1 3.44Å; D622-I624 PolarHBondContact OD1-N 3.17Å; D622-S625 WeakPolarHBondContact OD2-CB 3.33Å; D622-S625 PolarHBondContact OD2-N 3.23Å; D622-S625 PolarHBondContact OD2-OG 2.84Å; D622-Q630 HydrophobicContact CB-CB 3.71Å; D622-Q630 WeakPolarHBondContact CB-O 3.5Å; D622-Q630 PolarHBondContact N-O 3.17Å; D622-V632 HydrophobicContact CB-CG2 4.28Å
623	Q	42	Very low	60.4	Low	187 Å²	187	83.6 Å²	83.6	87%	0.874	44%	0.444	S	S	*	.	S	Bend	trans	-87.4	-9.6	173.2	-69.3	-173	-15.2	0	0	112.5	Y621	Y621-Q623 PolarHBondContact O-N 2.86Å
624	I	42.4	Very low	58.6	Low	158 Å²	158	86.5 Å²	86.5	81%	0.81	46%	0.462	S	S	*	.	S	Bend	trans	-86.8	-32.5	-169.5	-52.9	171.6	0	0	0	111	D622 G626	D622-I624 VanDerWaalsContact OD1-CB 3.27Å; D622-I624 WeakPolarHBondContact OD1-CB 2.97Å; D622-I624 WeakPolarHBondContact OD1-CG1 3.44Å; D622-I624 PolarHBondContact OD1-N 3.17Å; I624-G626 PolarHBondContact O-N 3.18Å; I624-G626 VanDerWaalsContact O-N 3.1Å
625	S	42.6	Very low	56.6	Low	23 Å²	23	89.3 Å²	89.3	16%	0.161	48%	0.475	C	S	.	.			trans	-75.4	99.2	171.9	46.3	0	0	0	0	110.3	D622 S627 Q630	D622-S625 WeakPolarHBondContact OD2-CB 3.33Å; D622-S625 PolarHBondContact OD2-N 3.23Å; D622-S625 PolarHBondContact OD2-OG 2.84Å; S625-S627 PolarHBondContact O-N 3.05Å; S625-Q630 WeakPolarHBondContact OG-CG 3.37Å
626	G	39.5	Very low	54.5	Low	90 Å²	90	83.6 Å²	83.6	93%	0.928	46%	0.462	S	S	*	.	S	Bend	trans	-59.7	12.7	171.8	0	0	0	0	0	115.5	I624	I624-G626 PolarHBondContact O-N 3.18Å; I624-G626 VanDerWaalsContact O-N 3.1Å
627	S	41.3	Very low	52.1	Low	97 Å²	97	86.6 Å²	86.6	68%	0.678	48%	0.48	S	S	*	.	S	Bend	trans	-123.8	55	177	68.4	0	0	0	0	111	S625	S625-S627 PolarHBondContact O-N 3.05Å
628	G	39.7	Very low	49.5	Very low	42 Å²	42	86.5 Å²	86.5	43%	0.433	49%	0.489	S	S	.	.	S	Bend	trans	76.4	152.6	173	0	0	0	0	0	115.1	Q630	G628-Q630 PolarHBondContact O-N 3.45Å
629	Y	40.5	Very low	46.9	Very low	98 Å²	98	87.6 Å²	87.6	38%	0.384	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-48.1	120.5	-172.6	-45.1	-84.7	0	0	0	112.9	K576 H588 Y621	K576-Y629 PolarHBondContact NZ-OH 3Å; H588-Y629 PolarHBondContact CD2-O 3.09Å; H588-Y629 VanDerWaalsContact CD2-O 3.3Å; H588-Y629 PolarHBondContact NE2-O 3.09Å; Y621-Y629 AromaticContact CD1-CD1 3.5Å; Y621-Y629 HydrophobicContact CD1-CD1 3.5Å; Y621-Y629 HydrophobicContact CD1-CE1 4.17Å; Y621-Y629 HydrophobicContact CD1-CG 4.23Å; Y621-Y629 AromaticContact CE1-CD1 3.88Å; Y621-Y629 HydrophobicContact CE1-CD1 3.88Å; Y621-Y629 HydrophobicContact CE1-CE1 4.25Å; Y621-Y629 HydrophobicContact CE1-CG 4.5Å
630	Q	39.6	Very low	44.2	Very low	96 Å²	96	91.7 Å²	91.7	45%	0.449	52%	0.517	S	S	.	.	B	Isolated β-bridge	trans	-101.8	139.2	164.8	-62	-179	-0.7	0	0	110.3	D622 S625 G628	D622-Q630 HydrophobicContact CB-CB 3.71Å; D622-Q630 WeakPolarHBondContact CB-O 3.5Å; D622-Q630 PolarHBondContact N-O 3.17Å; S625-Q630 WeakPolarHBondContact OG-CG 3.37Å; G628-Q630 PolarHBondContact O-N 3.45Å
631	L	39.8	Very low	42.3	Very low	24 Å²	24	91.6 Å²	91.6	13%	0.126	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-77.4	123.2	162.9	-72.6	167.2	0	0	0	108.1	F586 W613 I619	F586-L631 HydrophobicContact CD1-CD1 3.78Å; F586-L631 HydrophobicContact CE1-CD1 3.97Å; W613-L631 HydrophobicContact CH2-CD1 3.43Å; W613-L631 VanDerWaalsContact CH2-CD1 3.43Å; W613-L631 HydrophobicContact CZ2-CD1 4.26Å; W613-L631 HydrophobicContact CZ3-CD1 4.11Å; I619-L631 HydrophobicContact CB-CD2 4.15Å; I619-L631 HydrophobicContact CG1-CD2 4.49Å; I619-L631 HydrophobicContact CG2-CD2 3.76Å
632	V	39.3	Very low	41.2	Very low	133 Å²	133	89.1 Å²	89.1	81%	0.806	53%	0.529	S	S	*	.			trans	-79.3	0	172.9	-170.4	0	0	0	0	110.3	E620 D622	E620-V632 HydrophobicContact CB-CB 4.01Å; E620-V632 HydrophobicContact CB-CG2 4.15Å; E620-V632 WeakPolarHBondContact OE2-CB 3.41Å; D622-V632 HydrophobicContact CB-CG2 4.28Å

Retrieved 632 of 632 residues in 4777.2 ms (Link to these results)

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