ZDH17_HUMAN Loading...

Palmitoyltransferase ZDHHC17

Palmitoyltransferase that catalyzes the addition of palmitate onto various protein substrates and is involved in a variety of cellular processes^1,2,3,4,5. Has no stringent fatty acid selectivity and in addition to palmitate can also transfer onto target proteins myristate from tetradecanoyl-CoA and stearate from octadecanoyl-CoA (By similarity). Palmitoyltransferase specific for a subset of neuronal proteins, including SNAP25, DLG4/PSD95, GAD2, SYT1 and HTT^6,7,8,9. Also palmitoylates neuronal protein GPM6A as well as SPRED1 and SPRED3¹⁰. Could also play a role in axonogenesis through the regulation of NTRK1 and the downstream ERK1/ERK2 signaling cascade (By similarity). May be involved in the sorting or targeting of critical proteins involved in the initiating events of endocytosis at the plasma membrane¹¹. May play a role in Mg(2+) transport¹². Could also palmitoylate DNAJC5 and regulate its localization to the Golgi membrane (By similarity). Palmitoylates CASP6, thereby preventing its dimerization and subsequent activation¹³.

AlphaFold DB , UniProt , Accession Q8IUH5, Species HUMAN (Homo sapiens, Human), Gene ZDHHC17, Length 632 aa.

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(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 225 ms (Link to these results)

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