A0A3Q0KMC7_SCHMA Loading...

Phosphodiesterase

AlphaFold DB , UniProt , Accession A0A3Q0KMC7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 606 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	39.9	Very low	29	Very low	20 Å²	20	63.5 Å²	63.5	10%	0.099	41%	0.41	C	S	.	.				0	47.1	0	-61.8	-166.6	-74.1	0	0	111.2	L517 S528 Q529 F532	M1-L517 HydrophobicContact CG-CD1 3.67Å; M1-L517 HydrophobicContact SD-CD1 3.93Å; M1-S528 WeakPolarHBondContact CE-O 3.47Å; M1-S528 WeakPolarHBondContact CE-OG 3.2Å; M1-Q529 HydrophobicContact CE-CB 4.17Å; M1-Q529 HydrophobicContact CE-CG 3.83Å; M1-Q529 VanDerWaalsContact CE-N 3.31Å; M1-F532 HydrophobicContact CB-CB 4Å; M1-F532 HydrophobicContact CB-CD1 3.72Å; M1-F532 HydrophobicContact CB-CD2 3.81Å; M1-F532 HydrophobicContact CB-CE1 4.06Å; M1-F532 HydrophobicContact CB-CE2 4.14Å; M1-F532 HydrophobicContact CB-CG 3.58Å; M1-F532 HydrophobicContact CB-CZ 4.26Å; M1-F532 HydrophobicContact CE-CB 3.57Å; M1-F532 HydrophobicContact CE-CD1 4.32Å; M1-F532 HydrophobicContact CE-CG 4.22Å; M1-F532 HydrophobicContact CG-CB 4.21Å; M1-F532 HydrophobicContact CG-CG 4.32Å; M1-F532 WeakPolarHBondContact O-CE1 3.27Å; M1-F532 WeakPolarHBondContact O-CE2 3.35Å; M1-F532 WeakPolarHBondContact O-CZ 3.31Å
2	G	28.8	Very low	28.3	Very low	0 Å²	0	67 Å²	67	0%	0	45%	0.448	C	S	.	.			trans	-74.1	146.6	158.1	0	0	0	0	0	107.7	C4 A5 I479	G2-C4 PolarHBondContact O-N 3.08Å; G2-A5 WeakPolarHBondContact O-CB 3.44Å; G2-A5 PolarHBondContact O-N 3.19Å; G2-I479 VanDerWaalsContact CA-CG2 3.47Å
3	S	38.7	Very low	27.9	Very low	3 Å²	3	67.8 Å²	67.8	2%	0.021	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-19.2	-44.3	-178.1	48.4	0	0	0	0	116.2	H330 D478	S3-H330 VanDerWaalsContact CB-NE2 3.29Å; S3-H330 WeakPolarHBondContact CB-NE2 3.42Å; S3-H330 PolarHBondContact O-CE1 2.93Å; S3-H330 PolarHBondContact O-NE2 2.88Å; S3-D478 WeakPolarHBondContact CB-OD1 3.49Å; S3-D478 PolarHBondContact OG-OD1 3.12Å; S3-D478 VanDerWaalsContact OG-OD1 3.13Å; S3-D478 PolarHBondContact OG-OD2 2.95Å
4	C	33.4	Very low	27.6	Very low	7 Å²	7	71.6 Å²	71.6	5%	0.047	50%	0.502	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	24.7	-178.1	-76.1	0	0	0	0	117.3	G2 S6 H375	G2-C4 PolarHBondContact O-N 3.08Å; C4-S6 PolarHBondContact O-N 3.16Å; C4-H375 PolarHBondContact SG-NE2 3.48Å; C4-H375 VanDerWaalsContact SG-NE2 3.37Å
5	A	30.2	Very low	28	Very low	38 Å²	38	74.9 Å²	74.9	31%	0.314	52%	0.52	S	S	.	.			trans	-73.1	94	-172.7	0	0	0	0	0	114.8	G2 M444	G2-A5 WeakPolarHBondContact O-CB 3.44Å; G2-A5 PolarHBondContact O-N 3.19Å; A5-M444 HydrophobicContact CB-CB 3.94Å; A5-M444 HydrophobicContact CB-CE 4.15Å; A5-M444 HydrophobicContact CB-CG 4.09Å
6	S	27.1	Very low	28	Very low	37 Å²	37	76.8 Å²	76.8	26%	0.259	54%	0.542	S	S	.	.			trans	-82.6	118	149.9	88.2	0	0	0	0	109.3	C4 G8 N381	C4-S6 PolarHBondContact O-N 3.16Å; S6-G8 PolarHBondContact O-N 2.85Å; S6-N381 WeakPolarHBondContact CB-ND2 3.46Å; S6-N381 VanDerWaalsContact OG-CG 3.25Å; S6-N381 PolarHBondContact OG-ND2 2.71Å; S6-N381 PolarHBondContact OG-OD1 3.12Å
7	T	27.1	Very low	27.5	Very low	102 Å²	102	84.2 Å²	84.2	63%	0.626	56%	0.562	S	S	*	*			trans	-72.8	99.3	170.3	51.1	0	0	0	0	108.2	V9	T7-V9 PolarHBondContact O-N 3.47Å
8	G	24.1	Very low	27.4	Very low	73 Å²	73	85.6 Å²	85.6	75%	0.753	57%	0.573	S	S	*	*			trans	-61.9	95.4	173.3	0	0	0	0	0	111.2	S6 S10	S6-G8 PolarHBondContact O-N 2.85Å; G8-S10 PolarHBondContact O-N 3Å
9	V	24.6	Very low	27	Very low	120 Å²	120	90.9 Å²	90.9	73%	0.727	59%	0.589	S	S	*	*			trans	-78.3	108.4	159.7	179.6	0	0	0	0	106.3	T7 Q11	T7-V9 PolarHBondContact O-N 3.47Å; V9-Q11 PolarHBondContact O-N 3.41Å
10	S	21.1	Very low	27	Very low	115 Å²	115	95.1 Å²	95.1	80%	0.804	61%	0.605	S	S	*	*			trans	-57.5	100.6	176	56.5	0	0	0	0	111	G8	G8-S10 PolarHBondContact O-N 3Å
11	Q	23.8	Very low	26.8	Very low	184 Å²	184	95.9 Å²	95.9	86%	0.86	61%	0.609	S	S	*	*			trans	-97.8	107.5	160.2	-75.7	-161.4	1.4	0	0	109.2	V9	V9-Q11 PolarHBondContact O-N 3.41Å
12	A	20.9	Very low	26	Very low	105 Å²	105	102.7 Å²	102.7	87%	0.868	65%	0.646	S	S	*	*			trans	-80	133.7	171.7	0	0	0	0	0	110.9
13	G	22.5	Very low	25.7	Very low	77 Å²	77	106.4 Å²	106.4	79%	0.794	68%	0.684	S	S	*	*			trans	90.3	138.1	166.3	0	0	0	0	0	113.9
14	S	23.8	Very low	24.8	Very low	122 Å²	122	113.7 Å²	113.7	85%	0.853	72%	0.721	S	S	*	*			cis	-166.5	168.4	16.2	-143.3	0	0	0	0	107.7
15	P	33.3	Very low	24.4	Very low	120 Å²	120	122.1 Å²	122.1	78%	0.779	76%	0.76	S	S	*	*			trans	-93.3	144.3	-156.3	35.9	-32.7	0	0	0	114
16	A	28.5	Very low	24	Very low	105 Å²	105	129 Å²	129	87%	0.868	79%	0.786	S	S	*	*			trans	-130.5	115.2	164.4	0	0	0	0	0	111
17	K	19.8	Very low	23.8	Very low	204 Å²	204	132.8 Å²	132.8	89%	0.887	81%	0.807	S	S	*	*			trans	-77.7	137.2	169.1	-70	170.6	170.7	176.4	0	110.2
18	S	25.5	Very low	23.6	Very low	108 Å²	108	133.8 Å²	133.8	76%	0.755	82%	0.818	S	S	*	*			trans	168.4	108.5	136.7	52.6	0	0	0	0	107.8
19	Q	19.9	Very low	23.6	Very low	188 Å²	188	139.1 Å²	139.1	88%	0.879	82%	0.821	S	S	*	*				40.7	104.4	91.9	-71.8	-168.5	-5.7	0	0	113.5
20	L	27.3	Very low	23.5	Very low	174 Å²	174	140.4 Å²	140.4	91%	0.911	82%	0.824	S	S	*	*				-164.2	142	128.5	-100.1	160.1	0	0	0	110.2
21	T	21.6	Very low	23.5	Very low	111 Å²	111	142.7 Å²	142.7	68%	0.681	83%	0.825	S	S	*	*			trans	-100	160	-165.4	45.2	0	0	0	0	112.3
22	N	23	Very low	23.4	Very low	163 Å²	163	142 Å²	142	87%	0.872	82%	0.822	S	S	*	*			trans	79.2	125.9	151.8	-62.2	-18	0	0	0	119.2
23	G	24.4	Very low	23.6	Very low	78 Å²	78	144.9 Å²	144.9	80%	0.804	82%	0.817	S	S	*	*			trans	161.4	71	159.6	0	0	0	0	0	114.5
24	I	19.7	Very low	23.8	Very low	157 Å²	157	150.5 Å²	150.5	81%	0.805	83%	0.826	S	S	*	*			trans	-65.2	130.1	165	-67.4	166.6	0	0	0	108.9
25	Q	24.2	Very low	24	Very low	183 Å²	183	151.7 Å²	151.7	86%	0.855	82%	0.822	S	S	*	*			trans	-150.7	105.1	150.3	-111.6	172	5.4	0	0	110.4
26	Q	21.2	Very low	23.4	Very low	184 Å²	184	154.6 Å²	154.6	86%	0.86	83%	0.825	S	S	*	*			trans	-63.3	128.2	165	-72.5	170.2	-36.1	0	0	109
27	T	23.7	Very low	23.2	Very low	116 Å²	116	155.8 Å²	155.8	71%	0.712	82%	0.822	S	S	*	*			trans	-120.9	109.4	161.3	45.3	0	0	0	0	108.3
28	S	21.8	Very low	23.6	Very low	122 Å²	122	154.8 Å²	154.8	85%	0.853	82%	0.82	S	S	*	*			trans	-74.9	114.8	169.4	41.4	0	0	0	0	109.1
29	F	24.5	Very low	23.4	Very low	186 Å²	186	157.5 Å²	157.5	82%	0.816	83%	0.825	S	S	*	*			trans	-96.7	116.3	166.6	-92	-86.1	0	0	0	109.6
30	N	22.9	Very low	23.5	Very low	147 Å²	147	159 Å²	159	79%	0.786	82%	0.823	S	S	*	*			trans	-80.3	120	-178	-154.5	4.5	0	0	0	108.7
31	I	21.3	Very low	23.5	Very low	162 Å²	162	158.9 Å²	158.9	83%	0.831	82%	0.823	S	S	*	*			trans	-93	105.5	175.3	-64.1	171.2	0	0	0	106.6
32	Q	21.8	Very low	23.5	Very low	169 Å²	169	160.3 Å²	160.3	79%	0.79	83%	0.825	S	S	*	*			trans	-155.1	137.9	163.7	-110.8	173.2	9.3	0	0	110.4
33	E	25	Very low	23.4	Very low	166 Å²	166	159.2 Å²	159.2	78%	0.776	82%	0.819	S	S	*	*			trans	83.4	86.1	168.2	-58.6	-169	154.3	0	0	118.5
34	M	26.3	Very low	23.4	Very low	196 Å²	196	164.4 Å²	164.4	97%	0.966	82%	0.822	S	S	*	*				-130.9	103.2	129.4	-81.2	-172	68.7	0	0	108.9
35	N	27.1	Very low	23.7	Very low	146 Å²	146	166.4 Å²	166.4	78%	0.781	83%	0.828	S	S	*	*			trans	-74	148.2	177.2	-100.1	-30.1	0	0	0	111.8
36	Q	22.4	Very low	23.7	Very low	181 Å²	181	161.2 Å²	161.2	85%	0.846	82%	0.824	S	S	*	*			trans	-55.3	124.8	168.4	-64.4	165.5	-15.4	0	0	112.8
37	T	24.7	Very low	23.7	Very low	130 Å²	130	160.3 Å²	160.3	80%	0.798	83%	0.825	S	S	*	*			trans	-175.2	117.8	144.2	-5.2	0	0	0	0	103.8
38	E	26.2	Very low	23.7	Very low	183 Å²	183	159 Å²	159	86%	0.855	83%	0.826	S	S	*	*				-164	113.7	67.9	-79.7	170.1	152.5	0	0	108.6
39	I	21.9	Very low	23.9	Very low	165 Å²	165	162.3 Å²	162.3	85%	0.846	83%	0.83	S	S	*	*			trans	-118.7	107	158.1	-64.3	176.6	0	0	0	105.1
40	R	23.4	Very low	23.8	Very low	221 Å²	221	158.3 Å²	158.3	83%	0.834	83%	0.831	S	S	*	*			trans	169.2	106.7	152	-94.7	161.1	-168.3	-165	4.7	108.7
41	N	26.1	Very low	23.8	Very low	170 Å²	170	154.6 Å²	154.6	91%	0.909	83%	0.828	S	S	*	*				-158.5	119.3	115.6	-94.1	-19.7	0	0	0	109.9
42	I	22.5	Very low	23.9	Very low	142 Å²	142	155.8 Å²	155.8	73%	0.728	83%	0.83	S	S	*	*			trans	-86.5	139	177	-75.9	168.1	0	0	0	107.2
43	N	21.2	Very low	23.9	Very low	140 Å²	140	157.2 Å²	157.2	75%	0.749	84%	0.837	S	S	*	*			trans	23.8	118.9	148.5	-51.1	-20.9	0	0	0	117.7
44	E	23.9	Very low	23.9	Very low	187 Å²	187	158.3 Å²	158.3	87%	0.874	84%	0.839	S	S	*	*				-172.9	154.2	126.7	-103	165.9	-158.9	0	0	110.5
45	E	25.2	Very low	23.6	Very low	198 Å²	198	158.3 Å²	158.3	93%	0.925	83%	0.833	S	S	*	*			trans	81.3	124.5	176.9	-51.1	-174.7	172.3	0	0	115.7
46	G	24.5	Very low	23.6	Very low	75 Å²	75	157.8 Å²	157.8	77%	0.773	84%	0.836	S	S	*	*			cis	167	150.7	11.5	0	0	0	0	0	108.6
47	D	22	Very low	23.6	Very low	164 Å²	164	156.5 Å²	156.5	88%	0.877	84%	0.835	S	S	*	*			trans	-52.3	161.4	-171.5	-76.6	-58	0	0	0	118.1
48	A	24	Very low	23.7	Very low	88 Å²	88	158 Å²	158	73%	0.727	84%	0.838	S	S	*	*			trans	81.3	106.8	144.4	0	0	0	0	0	118.4
49	M	25.4	Very low	23.8	Very low	192 Å²	192	154 Å²	154	95%	0.946	83%	0.828	S	S	*	*				-155.2	102.7	122.1	-96.7	-62	164.8	0	0	109.2
50	A	21.8	Very low	23.9	Very low	102 Å²	102	158 Å²	158	84%	0.843	83%	0.832	S	S	*	*			trans	-70.1	137.4	162.8	0	0	0	0	0	109.6
51	G	22.8	Very low	24.1	Very low	69 Å²	69	151.9 Å²	151.9	71%	0.711	82%	0.823	S	S	*	*			trans	177.3	94.8	175.2	0	0	0	0	0	116.6
52	Q	23.1	Very low	23.9	Very low	188 Å²	188	151 Å²	151	88%	0.879	82%	0.819	S	S	*	*			trans	82.4	88.4	145	-58.8	-174	-8.3	0	0	119.1	K54	Q52-K54 PolarHBondContact O-N 3.5Å
53	E	21.9	Very low	24	Very low	199 Å²	199	154 Å²	154	93%	0.93	82%	0.822	S	S	*	*			trans	-58.8	122.9	149.5	-70.4	177.7	150.4	0	0	111
54	K	24.8	Very low	24.1	Very low	189 Å²	189	153.1 Å²	153.1	82%	0.822	82%	0.822	S	S	*	*			trans	-99	114.7	163.6	-90.3	-178	176.3	175.1	0	109.3	Q52	Q52-K54 PolarHBondContact O-N 3.5Å
55	K	21.1	Very low	24.3	Very low	195 Å²	195	152.2 Å²	152.2	85%	0.848	82%	0.822	S	S	*	*			trans	-57.8	128.2	164.3	-68	178.6	174.2	-178.4	0	110.5
56	T	26.7	Very low	24.4	Very low	136 Å²	136	147.6 Å²	147.6	83%	0.834	81%	0.811	S	S	*	*			trans	-126.8	112.6	155.9	51.1	0	0	0	0	108.5
57	D	22.1	Very low	24.6	Very low	154 Å²	154	147.7 Å²	147.7	82%	0.824	81%	0.813	S	S	*	*			trans	-63.3	139.1	170	-65.7	-56.3	0	0	0	111.7
58	N	26.8	Very low	24.7	Very low	162 Å²	162	146.6 Å²	146.6	87%	0.866	81%	0.806	S	S	*	*				-166.2	149.3	125.1	-132.5	6.5	0	0	0	112.4
59	P	29.2	Very low	25.1	Very low	99 Å²	99	148.2 Å²	148.2	64%	0.643	80%	0.802	S	S	*	*			trans	-106.6	153.5	-158.4	40.2	-34.2	0	0	0	114.3
60	R	22.9	Very low	25.4	Very low	248 Å²	248	145.1 Å²	145.1	94%	0.936	79%	0.788	S	S	*	*				157.8	109.5	126.9	-90.7	176.8	174.5	173.9	-0.5	110
61	S	27.4	Very low	25.9	Very low	92 Å²	92	147.4 Å²	147.4	64%	0.643	79%	0.786	S	S	*	*				-172.7	103.9	117.7	-168.3	0	0	0	0	109.4	Y63	S61-Y63 PolarHBondContact O-N 2.75Å; S61-Y63 WeakPolarHBondContact OG-CD2 3.41Å; S61-Y63 WeakPolarHBondContact OG-CE2 3.33Å
62	N	22.8	Very low	26.4	Very low	153 Å²	153	150.6 Å²	150.6	82%	0.818	79%	0.787	S	S	*	*			trans	-69.6	105.8	162.6	-84.9	-30.5	0	0	0	108.1
63	Y	25	Very low	27.2	Very low	204 Å²	204	149.3 Å²	149.3	80%	0.8	78%	0.775	S	S	*	*			trans	-109.8	87.7	150.2	-81.8	-77.7	0	0	0	108.1	S61 L65	S61-Y63 PolarHBondContact O-N 2.75Å; S61-Y63 WeakPolarHBondContact OG-CD2 3.41Å; S61-Y63 WeakPolarHBondContact OG-CE2 3.33Å; Y63-L65 VanDerWaalsContact C-N 3.31Å; Y63-L65 PolarHBondContact O-N 3.21Å; Y63-L65 VanDerWaalsContact O-N 3.09Å
64	V	22.9	Very low	27.8	Very low	122 Å²	122	142.2 Å²	142.2	74%	0.739	76%	0.755	S	S	*	*			trans	-70.9	93	161	179	0	0	0	0	106.3	S66	V64-S66 PolarHBondContact O-N 2.89Å
65	L	27.4	Very low	28.2	Very low	167 Å²	167	139.7 Å²	139.7	87%	0.874	76%	0.755	S	S	*	*			trans	-83.2	93.2	158.5	-87.6	163.7	0	0	0	107.2	Y63 G67	Y63-L65 VanDerWaalsContact C-N 3.31Å; Y63-L65 PolarHBondContact O-N 3.21Å; Y63-L65 VanDerWaalsContact O-N 3.09Å; L65-G67 PolarHBondContact O-N 2.96Å
66	S	27.4	Very low	28.7	Very low	101 Å²	101	133.4 Å²	133.4	71%	0.706	75%	0.746	S	S	*	*			trans	-56.8	124.4	169.9	51.6	0	0	0	0	111.6	V64	V64-S66 PolarHBondContact O-N 2.89Å
67	G	28.1	Very low	29	Very low	78 Å²	78	135.9 Å²	135.9	80%	0.804	75%	0.753	S	S	*	*			trans	80.8	54.6	132.4	0	0	0	0	0	118.7	L65	L65-G67 PolarHBondContact O-N 2.96Å
68	I	25.3	Very low	29.6	Very low	141 Å²	141	137.2 Å²	137.2	72%	0.723	75%	0.752	S	S	*	*			trans	-126	109.7	159.3	-55.6	179.1	0	0	0	108.5
69	D	31.4	Very low	30.1	Very low	122 Å²	122	136.6 Å²	136.6	65%	0.652	75%	0.748	S	S	*	*			trans	-75.3	138.3	175.5	-161.5	-12	0	0	0	109.5	L71 D72	D69-L71 PolarHBondContact O-N 3.37Å; D69-D72 PolarHBondContact O-N 2.98Å
70	L	31.8	Very low	30.6	Very low	126 Å²	126	137 Å²	137	66%	0.66	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-64.2	-13.4	-167.5	-118.3	89.8	0	0	0	113.8	D72	L70-D72 PolarHBondContact O-N 3.19Å
71	L	33.6	Very low	31.2	Very low	151 Å²	151	128.6 Å²	128.6	79%	0.791	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-78.8	-13.1	-173.7	-63.5	176.5	0	0	0	114.3	D69 Y73	D69-L71 PolarHBondContact O-N 3.37Å; L71-Y73 VanDerWaalsContact C-N 3.3Å; L71-Y73 PolarHBondContact O-N 3.23Å
72	D	33.3	Very low	31.6	Very low	136 Å²	136	127.8 Å²	127.8	73%	0.727	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-82.2	-0.6	179.6	-97	-8.2	0	0	0	114.5	D69 L70 G74	D69-D72 PolarHBondContact O-N 2.98Å; L70-D72 PolarHBondContact O-N 3.19Å; D72-G74 PolarHBondContact O-N 3.46Å; D72-G74 VanDerWaalsContact O-N 3.08Å
73	Y	40.3	Very low	32.1	Very low	160 Å²	160	130.8 Å²	130.8	63%	0.627	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-73	5	179.4	-90.8	-87	0	0	0	115.3	L71 I80	L71-Y73 VanDerWaalsContact C-N 3.3Å; L71-Y73 PolarHBondContact O-N 3.23Å; Y73-I80 HydrophobicContact CD1-CD1 4.2Å; Y73-I80 HydrophobicContact CE1-CD1 4.06Å
74	G	33.4	Very low	32.6	Very low	50 Å²	50	123.7 Å²	123.7	52%	0.515	69%	0.687	S	S	.	*	G	3₁₀ helix	trans	-95.6	-8.2	-177.6	0	0	0	0	0	116.5	D72	D72-G74 PolarHBondContact O-N 3.46Å; D72-G74 VanDerWaalsContact O-N 3.08Å
75	V	32.8	Very low	33.8	Very low	137 Å²	137	123.3 Å²	123.3	83%	0.83	69%	0.69	S	S	*	*	S	Bend	trans	-121.7	74.1	-167.1	-163.1	0	0	0	0	111.8
76	G	31.4	Very low	34.6	Very low	63 Å²	63	121.3 Å²	121.3	65%	0.649	68%	0.68	S	S	*	*			trans	164.8	112.1	168.7	0	0	0	0	0	114.2	K78	G76-K78 PolarHBondContact O-N 3.18Å
77	L	32.8	Very low	35.6	Very low	188 Å²	188	120.1 Å²	120.1	98%	0.984	67%	0.669	S	S	*	*			trans	-68.7	57.1	178.4	-74.7	156.1	0	0	0	113.8
78	K	35.1	Very low	36.9	Very low	182 Å²	182	124.8 Å²	124.8	79%	0.791	68%	0.675	S	S	*	*	S	Bend	trans	-125.6	136.9	169.7	-78.8	-171.4	173.9	-175.7	0	110.4	G76 I80	G76-K78 PolarHBondContact O-N 3.18Å; K78-I80 WeakPolarHBondContact O-CG1 3.49Å; K78-I80 PolarHBondContact O-N 3Å; K78-I80 VanDerWaalsContact O-N 3.12Å
79	D	37	Very low	38.2	Very low	148 Å²	148	123 Å²	123	79%	0.791	67%	0.665	S	S	*	*			trans	-55.1	113	172	-69.8	-46.5	0	0	0	109.1
80	I	39.8	Very low	39.4	Very low	108 Å²	108	120 Å²	120	55%	0.554	65%	0.652	S	S	*	*			trans	-104.4	114.4	176.2	-57.6	176.8	0	0	0	107.1	Y73 K78 L82	Y73-I80 HydrophobicContact CD1-CD1 4.2Å; Y73-I80 HydrophobicContact CE1-CD1 4.06Å; K78-I80 WeakPolarHBondContact O-CG1 3.49Å; K78-I80 PolarHBondContact O-N 3Å; K78-I80 VanDerWaalsContact O-N 3.12Å; I80-L82 PolarHBondContact O-N 3.01Å
81	P	35.7	Very low	40.6	Very low	72 Å²	72	116.1 Å²	116.1	47%	0.468	63%	0.633	S	S	.	*			trans	-58.9	128	173.4	-22.2	32.3	0	0	0	110.3	R83	P81-R83 HydrophobicContact CB-CG 4.13Å; P81-R83 PolarHBondContact O-N 3.08Å
82	L	35.4	Very low	41.6	Very low	74 Å²	74	111.3 Å²	111.3	39%	0.387	61%	0.608	S	S	.	*			trans	-72.5	62.6	168.6	-73.8	166.7	0	0	0	109.8	I80 T84 L117 R151	I80-L82 PolarHBondContact O-N 3.01Å; L82-T84 PolarHBondContact O-N 3.18Å; L82-L117 HydrophobicContact CD1-CD2 4.06Å; L82-R151 PolarHBondContact O-NH2 2.77Å
83	R	34.7	Very low	42.8	Very low	216 Å²	216	110.9 Å²	110.9	82%	0.815	60%	0.602	S	S	*	*			trans	-73.3	119.5	170.9	-78.5	-177.3	177.2	-142.3	-1.3	109.7	P81 R151	P81-R83 HydrophobicContact CB-CG 4.13Å; P81-R83 PolarHBondContact O-N 3.08Å; R83-R151 VanDerWaalsContact C-NH2 3.33Å; R83-R151 PolarHBondContact O-NH2 3.33Å
84	T	36	Very low	43.7	Very low	55 Å²	55	108.2 Å²	108.2	34%	0.337	60%	0.595	S	S	.	*			trans	-103	143.8	145.1	31.9	0	0	0	0	106.4	L82 D86 R151	L82-T84 PolarHBondContact O-N 3.18Å; T84-D86 PolarHBondContact O-N 3.01Å; T84-D86 VanDerWaalsContact O-N 3.11Å; T84-R151 HydrophobicContact CG2-CG 4.12Å
85	S	48.3	Very low	44.9	Very low	115 Å²	115	108.9 Å²	108.9	80%	0.804	59%	0.587	S	S	*	*	S	Bend	trans	-66.5	-10.8	-166.5	44.6	0	0	0	0	115
86	D	44	Very low	46.1	Very low	125 Å²	125	106.2 Å²	106.2	67%	0.668	57%	0.567	S	S	*	*	S	Bend	trans	-144.5	93.3	-176	-61.4	-67.4	0	0	0	109.7	T84	T84-D86 PolarHBondContact O-N 3.01Å; T84-D86 VanDerWaalsContact O-N 3.11Å
87	T	47	Very low	47.6	Very low	75 Å²	75	109.3 Å²	109.3	46%	0.46	57%	0.566	S	S	.	*	S	Bend	trans	161.2	132	151.2	37.3	0	0	0	0	110.5	M89	T87-M89 VanDerWaalsContact C-N 3.25Å; T87-M89 PolarHBondContact O-N 2.96Å
88	N	55.2	Low	49	Very low	177 Å²	177	105.5 Å²	105.5	95%	0.947	54%	0.544	S	S	*	.			trans	-64.3	66.3	-178	-71.1	-16.5	0	0	0	113.7
89	M	54.4	Low	49.8	Very low	102 Å²	102	98 Å²	98	50%	0.502	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-94.7	124	172.7	-69.3	-84.8	172.3	0	0	109.8	T87 T91	T87-M89 VanDerWaalsContact C-N 3.25Å; T87-M89 PolarHBondContact O-N 2.96Å; M89-T91 PolarHBondContact O-N 3.48Å
90	T	55.8	Low	50.9	Low	61 Å²	61	94 Å²	94	37%	0.374	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-50	132.9	174.2	-44.1	0	0	0	0	110.9	E94 L95 R147	T90-E94 HydrophobicContact CG2-CB 3.49Å; T90-E94 VanDerWaalsContact CG2-CB 3.49Å; T90-L95 HydrophobicContact CG2-CB 4.35Å; T90-R147 PolarHBondContact O-NH1 3.45Å
91	T	57.7	Low	51.9	Low	44 Å²	44	95.7 Å²	95.7	27%	0.27	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-74.4	157.1	174.1	63	0	0	0	0	110.7	M89 E93 E94 L95	M89-T91 PolarHBondContact O-N 3.48Å; T91-E93 PolarHBondContact O-N 2.79Å; T91-E94 WeakPolarHBondContact CB-OE2 3.41Å; T91-E94 WeakPolarHBondContact CG2-OE2 3.4Å; T91-E94 PolarHBondContact N-OE2 3.5Å; T91-E94 PolarHBondContact O-N 3.3Å; T91-E94 WeakPolarHBondContact OG1-CB 3.44Å; T91-E94 WeakPolarHBondContact OG1-CG 3.38Å; T91-E94 PolarHBondContact OG1-N 3.02Å; T91-E94 VanDerWaalsContact OG1-N 3.11Å; T91-E94 PolarHBondContact OG1-OE2 2.93Å; T91-L95 PolarHBondContact O-N 3.44Å
92	D	53.8	Low	52.9	Low	50 Å²	50	96.6 Å²	96.6	27%	0.267	52%	0.519	S	S	.	.	H	α-helix	trans	-60.7	-34.3	176.6	-70.2	6.5	0	0	0	111	L95 D96 L117 R147	D92-L95 PolarHBondContact O-N 2.86Å; D92-D96 VanDerWaalsContact O-CB 3.31Å; D92-D96 WeakPolarHBondContact O-CB 3.39Å; D92-D96 VanDerWaalsContact O-CG 3.26Å; D92-D96 PolarHBondContact O-N 3.47Å; D92-L117 VanDerWaalsContact OD2-CD1 3.28Å; D92-L117 WeakPolarHBondContact OD2-CD1 3.36Å; D92-R147 IonicContact OD1-NH1 2.55Å
93	E	57.5	Low	53.6	Low	126 Å²	126	96.4 Å²	96.4	59%	0.589	53%	0.534	S	S	*	.	H	α-helix	trans	-67	-41.6	175.8	-69.4	166.2	167.8	0	0	112.4	T91 M97	T91-E93 PolarHBondContact O-N 2.79Å; E93-M97 WeakPolarHBondContact O-CB 3.28Å; E93-M97 PolarHBondContact O-N 2.97Å
94	E	60.3	Low	54.1	Low	104 Å²	104	89 Å²	89	49%	0.486	51%	0.513	S	S	.	.	H	α-helix	trans	-66	-42.5	174.7	-75.5	160.6	162.2	0	0	111.3	T90 T91 M97 E98	T90-E94 HydrophobicContact CG2-CB 3.49Å; T90-E94 VanDerWaalsContact CG2-CB 3.49Å; T91-E94 WeakPolarHBondContact CB-OE2 3.41Å; T91-E94 WeakPolarHBondContact CG2-OE2 3.4Å; T91-E94 PolarHBondContact N-OE2 3.5Å; T91-E94 PolarHBondContact O-N 3.3Å; T91-E94 WeakPolarHBondContact OG1-CB 3.44Å; T91-E94 WeakPolarHBondContact OG1-CG 3.38Å; T91-E94 PolarHBondContact OG1-N 3.02Å; T91-E94 VanDerWaalsContact OG1-N 3.11Å; T91-E94 PolarHBondContact OG1-OE2 2.93Å; E94-M97 WeakPolarHBondContact O-CB 3.44Å; E94-M97 PolarHBondContact O-N 3.39Å; E94-E98 WeakPolarHBondContact O-CB 3.34Å; E94-E98 PolarHBondContact O-N 2.85Å
95	L	59.2	Low	54.7	Low	65 Å²	65	89.3 Å²	89.3	34%	0.34	52%	0.518	S	S	.	.	H	α-helix	trans	-64.5	-42.6	176.9	-169.6	74.4	0	0	0	111.3	T90 T91 D92 M97 E98 C99	T90-L95 HydrophobicContact CG2-CB 4.35Å; T91-L95 PolarHBondContact O-N 3.44Å; D92-L95 PolarHBondContact O-N 2.86Å; L95-M97 VanDerWaalsContact C-N 3.3Å; L95-M97 PolarHBondContact O-N 3.49Å; L95-E98 PolarHBondContact O-N 2.96Å; L95-C99 WeakPolarHBondContact O-CB 3.34Å; L95-C99 PolarHBondContact O-N 3.16Å; L95-C99 PolarHBondContact O-SG 3.34Å
96	D	57.2	Low	54.8	Low	80 Å²	80	91.4 Å²	91.4	43%	0.428	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-39.4	175.4	-80.8	-11.5	0	0	0	111.3	D92 A100	D92-D96 VanDerWaalsContact O-CB 3.31Å; D92-D96 WeakPolarHBondContact O-CB 3.39Å; D92-D96 VanDerWaalsContact O-CG 3.26Å; D92-D96 PolarHBondContact O-N 3.47Å; D96-A100 WeakPolarHBondContact O-CB 3.4Å; D96-A100 PolarHBondContact O-N 3.47Å
97	M	63.5	Low	55	Low	128 Å²	128	92.7 Å²	92.7	63%	0.631	52%	0.515	S	S	*	.	H	α-helix	trans	-64.8	-45.6	174.9	-170.9	178.2	-67.1	0	0	111.6	E93 E94 L95 C99 A100 L101	E93-M97 WeakPolarHBondContact O-CB 3.28Å; E93-M97 PolarHBondContact O-N 2.97Å; E94-M97 WeakPolarHBondContact O-CB 3.44Å; E94-M97 PolarHBondContact O-N 3.39Å; L95-M97 VanDerWaalsContact C-N 3.3Å; L95-M97 PolarHBondContact O-N 3.49Å; M97-C99 VanDerWaalsContact C-N 3.35Å; M97-C99 PolarHBondContact O-N 3.25Å; M97-A100 PolarHBondContact O-N 3.44Å; M97-L101 HydrophobicContact CG-CD1 4.21Å; M97-L101 WeakPolarHBondContact O-CB 3.38Å; M97-L101 VanDerWaalsContact O-CG 3.27Å; M97-L101 WeakPolarHBondContact O-CG 3.47Å; M97-L101 PolarHBondContact O-N 2.97Å
98	E	61.3	Low	54.6	Low	109 Å²	109	96.7 Å²	96.7	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-62.2	-41.1	177.9	-171.5	179.5	-179.1	0	0	112.1	E94 L95 L101 S102	E94-E98 WeakPolarHBondContact O-CB 3.34Å; E94-E98 PolarHBondContact O-N 2.85Å; L95-E98 PolarHBondContact O-N 2.96Å; E98-L101 PolarHBondContact O-N 2.94Å; E98-S102 WeakPolarHBondContact O-CB 3.35Å; E98-S102 PolarHBondContact O-N 3.46Å; E98-S102 PolarHBondContact O-OG 3.31Å
99	C	53.2	Low	54.1	Low	23 Å²	23	91.4 Å²	91.4	16%	0.155	49%	0.493	C	S	.	.	H	α-helix	trans	-66	-41.5	176.1	-68.3	0	0	0	0	112.1	L95 M97 S102 G103 V104 Y109	L95-C99 WeakPolarHBondContact O-CB 3.34Å; L95-C99 PolarHBondContact O-N 3.16Å; L95-C99 PolarHBondContact O-SG 3.34Å; M97-C99 VanDerWaalsContact C-N 3.35Å; M97-C99 PolarHBondContact O-N 3.25Å; C99-S102 CarbonylContact O-C 3.59Å; C99-S102 PolarHBondContact O-N 3.01Å; C99-G103 PolarHBondContact O-N 3.14Å; C99-V104 HydrophobicContact CB-CB 4.43Å; C99-V104 WeakPolarHBondContact O-CB 3.12Å; C99-V104 WeakPolarHBondContact O-CG2 3.45Å; C99-V104 PolarHBondContact O-N 3.01Å; C99-Y109 HydrophobicContact CB-CE2 4.07Å; C99-Y109 WeakPolarHBondContact CB-OH 3.39Å; C99-Y109 PolarHBondContact SG-OH 2.88Å
100	A	60.1	Low	53.4	Low	64 Å²	64	94.2 Å²	94.2	53%	0.529	50%	0.503	S	S	.	.	H	α-helix	trans	-64.6	-41.6	175.3	0	0	0	0	0	111.8	D96 M97 S102 G103	D96-A100 WeakPolarHBondContact O-CB 3.4Å; D96-A100 PolarHBondContact O-N 3.47Å; M97-A100 PolarHBondContact O-N 3.44Å; A100-S102 VanDerWaalsContact C-N 3.25Å; A100-S102 PolarHBondContact O-N 3.42Å; A100-G103 PolarHBondContact O-N 2.99Å
101	L	59.9	Low	52.4	Low	145 Å²	145	96.8 Å²	96.8	76%	0.759	51%	0.514	S	S	*	.	H	α-helix	trans	-62.8	-32.6	173.5	-72.4	170.5	0	0	0	112.1	M97 E98 G103	M97-L101 HydrophobicContact CG-CD1 4.21Å; M97-L101 WeakPolarHBondContact O-CB 3.38Å; M97-L101 VanDerWaalsContact O-CG 3.27Å; M97-L101 WeakPolarHBondContact O-CG 3.47Å; M97-L101 PolarHBondContact O-N 2.97Å; E98-L101 PolarHBondContact O-N 2.94Å; L101-G103 PolarHBondContact O-N 3.35Å
102	S	56.6	Low	51.6	Low	91 Å²	91	97.6 Å²	97.6	64%	0.636	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	2.9	174.1	-58.1	0	0	0	0	113.8	E98 C99 A100	E98-S102 WeakPolarHBondContact O-CB 3.35Å; E98-S102 PolarHBondContact O-N 3.46Å; E98-S102 PolarHBondContact O-OG 3.31Å; C99-S102 CarbonylContact O-C 3.59Å; C99-S102 PolarHBondContact O-N 3.01Å; A100-S102 VanDerWaalsContact C-N 3.25Å; A100-S102 PolarHBondContact O-N 3.42Å
103	G	49.1	Very low	50.9	Low	69 Å²	69	98.3 Å²	98.3	71%	0.711	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	13.7	177.4	0	0	0	0	0	114.9	C99 A100 L101	C99-G103 PolarHBondContact O-N 3.14Å; A100-G103 PolarHBondContact O-N 2.99Å; L101-G103 PolarHBondContact O-N 3.35Å
104	V	46.4	Very low	50.3	Low	62 Å²	62	96.4 Å²	96.4	38%	0.376	52%	0.519	S	S	.	.			trans	-80.1	126.6	177.7	-168.1	0	0	0	0	109.8	C99 Q106 Y109	C99-V104 HydrophobicContact CB-CB 4.43Å; C99-V104 WeakPolarHBondContact O-CB 3.12Å; C99-V104 WeakPolarHBondContact O-CG2 3.45Å; C99-V104 PolarHBondContact O-N 3.01Å; V104-Q106 PolarHBondContact O-N 3.14Å; V104-Y109 HydrophobicContact CB-CE2 3.99Å; V104-Y109 HydrophobicContact CG1-CD2 4.39Å; V104-Y109 HydrophobicContact CG1-CE2 3.42Å; V104-Y109 VanDerWaalsContact CG1-CE2 3.42Å
105	S	47.8	Very low	49.5	Very low	61 Å²	61	93.3 Å²	93.3	43%	0.427	51%	0.509	S	S	.	.			trans	-72	130.3	-176.4	168.5	0	0	0	0	112.6	F107 F108	S105-F107 PolarHBondContact O-N 3.19Å; S105-F107 PolarHBondContact OG-N 2.92Å; S105-F108 PolarHBondContact O-N 2.92Å
106	Q	51.1	Low	48.9	Very low	159 Å²	159	94.1 Å²	94.1	74%	0.743	52%	0.517	S	S	*	.	H	α-helix	trans	-55.7	-22.5	175.5	-136.2	177.5	17.5	0	0	113.5	V104	V104-Q106 PolarHBondContact O-N 3.14Å
107	F	46.9	Very low	48.3	Very low	152 Å²	152	92.9 Å²	92.9	67%	0.667	51%	0.51	S	S	*	.	H	α-helix	trans	-72.3	-30.2	177.7	-167.9	-95.8	0	0	0	113	S105	S105-F107 PolarHBondContact O-N 3.19Å; S105-F107 PolarHBondContact OG-N 2.92Å
108	F	40.2	Very low	47.5	Very low	158 Å²	158	88.7 Å²	88.7	69%	0.693	50%	0.499	S	S	*	.	H	α-helix	trans	-68.4	-35.4	175.7	-87.2	-93.8	0	0	0	111.6	S105 N111	S105-F108 PolarHBondContact O-N 2.92Å; F108-N111 PolarHBondContact O-N 2.98Å
109	Y	44.2	Very low	46.9	Very low	67 Å²	67	88.4 Å²	88.4	26%	0.263	50%	0.498	S	S	.	.	H	α-helix	trans	-66.8	-37.3	179.5	-74.5	-83.1	0	0	0	114.2	C99 V104 N111 L112	C99-Y109 HydrophobicContact CB-CE2 4.07Å; C99-Y109 WeakPolarHBondContact CB-OH 3.39Å; C99-Y109 PolarHBondContact SG-OH 2.88Å; V104-Y109 HydrophobicContact CB-CE2 3.99Å; V104-Y109 HydrophobicContact CG1-CD2 4.39Å; V104-Y109 HydrophobicContact CG1-CE2 3.42Å; V104-Y109 VanDerWaalsContact CG1-CE2 3.42Å; Y109-N111 PolarHBondContact O-N 2.72Å; Y109-L112 PolarHBondContact O-N 2.72Å; Y109-L112 VanDerWaalsContact O-N 3.16Å
110	K	40.2	Very low	46.7	Very low	161 Å²	161	88.6 Å²	88.6	70%	0.7	50%	0.495	S	S	*	.	H	α-helix	trans	-66.2	-20.4	-179.8	-80.8	-174.2	176.8	177.9	0	114.2	T113	K110-T113 VanDerWaalsContact C-OG1 3.31Å; K110-T113 WeakPolarHBondContact CA-OG1 3.27Å; K110-T113 PolarHBondContact O-OG1 3.02Å
111	N	34.6	Very low	46.2	Very low	115 Å²	115	89 Å²	89	62%	0.615	50%	0.499	S	S	*	.	H	α-helix	trans	-83.5	-20.2	175.4	-84.6	-34.8	0	0	0	113.2	F108 Y109 T113	F108-N111 PolarHBondContact O-N 2.98Å; Y109-N111 PolarHBondContact O-N 2.72Å; N111-T113 VanDerWaalsContact C-N 3.31Å
112	L	39.5	Very low	45.7	Very low	61 Å²	61	88.6 Å²	88.6	32%	0.319	49%	0.493	S	S	.	.	H	α-helix	trans	-79.2	-16.4	172.9	-67.8	164.6	0	0	0	112.3	Y109 T114 P136 E137	Y109-L112 PolarHBondContact O-N 2.72Å; Y109-L112 VanDerWaalsContact O-N 3.16Å; L112-T114 PolarHBondContact O-N 3.17Å; L112-P136 HydrophobicContact CD2-CB 3.4Å; L112-P136 VanDerWaalsContact CD2-CB 3.4Å; L112-E137 WeakPolarHBondContact O-CG 3.26Å
113	T	40.5	Very low	45.6	Very low	64 Å²	64	86.2 Å²	86.2	39%	0.393	47%	0.473	S	S	.	.			trans	-87.5	74.6	178.4	47	0	0	0	0	111.8	K110 N111	K110-T113 VanDerWaalsContact C-OG1 3.31Å; K110-T113 WeakPolarHBondContact CA-OG1 3.27Å; K110-T113 PolarHBondContact O-OG1 3.02Å; N111-T113 VanDerWaalsContact C-N 3.31Å
114	T	43.6	Very low	45.9	Very low	86 Å²	86	86.8 Å²	86.8	53%	0.528	46%	0.464	S	S	.	.	S	Bend	trans	-89	-5.2	162.9	57.3	0	0	0	0	113.1	L112 R131	L112-T114 PolarHBondContact O-N 3.17Å; T114-R131 PolarHBondContact OG1-NH1 3.35Å; T114-R131 VanDerWaalsContact OG1-NH1 3.08Å; T114-R131 PolarHBondContact OG1-NH2 3.09Å
115	C	44.1	Very low	46.3	Very low	39 Å²	39	86.1 Å²	86.1	26%	0.264	46%	0.459	S	S	.	.	S	Bend	trans	-141.3	127	178.1	-165.9	0	0	0	0	108.9	Q119	C115-Q119 WeakPolarHBondContact SG-CB 3.31Å
116	T	47.3	Very low	46.9	Very low	82 Å²	82	86.4 Å²	86.4	50%	0.503	46%	0.455	S	S	.	.			trans	-70.6	152.6	171.7	59.6	0	0	0	0	110.1	G118 Q119 Y120	T116-G118 PolarHBondContact O-N 2.85Å; T116-Q119 WeakPolarHBondContact O-CA 3.31Å; T116-Q119 WeakPolarHBondContact O-CB 3.38Å; T116-Q119 PolarHBondContact O-N 3.5Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.46Å; T116-Q119 PolarHBondContact OG1-N 3.12Å; T116-Q119 PolarHBondContact OG1-OE1 3.35Å; T116-Y120 PolarHBondContact O-N 3.45Å
117	L	45.1	Very low	47.4	Very low	55 Å²	55	80.3 Å²	80.3	29%	0.288	43%	0.429	S	S	.	.	H	α-helix	trans	-54.3	-36.2	177	-95.5	126.8	0	0	0	112.8	L82 D92 Y120 A121 V144	L82-L117 HydrophobicContact CD1-CD2 4.06Å; D92-L117 VanDerWaalsContact OD2-CD1 3.28Å; D92-L117 WeakPolarHBondContact OD2-CD1 3.36Å; L117-Y120 PolarHBondContact O-N 3.35Å; L117-A121 PolarHBondContact O-N 2.79Å; L117-V144 HydrophobicContact CD2-CB 4.3Å; L117-V144 HydrophobicContact CD2-CG1 3.47Å; L117-V144 VanDerWaalsContact CD2-CG1 3.47Å; L117-V144 HydrophobicContact CD2-CG2 3.78Å; L117-V144 HydrophobicContact CG-CG1 4.38Å; L117-V144 HydrophobicContact CG-CG2 4.33Å
118	G	46.7	Very low	48.2	Very low	39 Å²	39	78.9 Å²	78.9	40%	0.402	43%	0.428	S	S	.	.	H	α-helix	trans	-65.2	-39	174.1	0	0	0	0	0	113.5	T116 Y120 Q122	T116-G118 PolarHBondContact O-N 2.85Å; G118-Y120 VanDerWaalsContact C-N 3.3Å; G118-Q122 WeakPolarHBondContact O-CG 3.27Å
119	Q	48.2	Very low	49.2	Very low	104 Å²	104	77.9 Å²	77.9	49%	0.486	43%	0.427	S	S	.	.	H	α-helix	trans	-67.7	-31.8	172.4	-72.9	165.1	-32.6	0	0	111.7	C115 T116	C115-Q119 WeakPolarHBondContact SG-CB 3.31Å; T116-Q119 WeakPolarHBondContact O-CA 3.31Å; T116-Q119 WeakPolarHBondContact O-CB 3.38Å; T116-Q119 PolarHBondContact O-N 3.5Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.46Å; T116-Q119 PolarHBondContact OG1-N 3.12Å; T116-Q119 PolarHBondContact OG1-OE1 3.35Å
120	Y	47.9	Very low	50.2	Low	26 Å²	26	76 Å²	76	10%	0.102	42%	0.421	C	S	.	.	H	α-helix	trans	-75.8	-36.7	178.4	-161.3	-91.5	0	0	0	112.9	T116 L117 G118 Q122 I123 L130 A141 V144 R145	T116-Y120 PolarHBondContact O-N 3.45Å; L117-Y120 PolarHBondContact O-N 3.35Å; G118-Y120 VanDerWaalsContact C-N 3.3Å; Y120-Q122 PolarHBondContact O-N 3.31Å; Y120-I123 HydrophobicContact CD2-CD1 3.38Å; Y120-I123 HydrophobicContact CE2-CD1 3.64Å; Y120-I123 HydrophobicContact CG-CD1 3.97Å; Y120-I123 WeakPolarHBondContact O-CB 3.38Å; Y120-I123 WeakPolarHBondContact O-CG1 3.4Å; Y120-I123 PolarHBondContact O-N 2.88Å; Y120-L130 WeakPolarHBondContact OH-CD2 3.11Å; Y120-A141 HydrophobicContact CD2-CB 4.48Å; Y120-A141 WeakPolarHBondContact CE1-O 3.14Å; Y120-A141 HydrophobicContact CE2-CB 3.52Å; Y120-A141 VanDerWaalsContact CZ-O 3.32Å; Y120-A141 WeakPolarHBondContact OH-CB 3.46Å; Y120-A141 PolarHBondContact OH-O 3.31Å; Y120-V144 HydrophobicContact CD1-CB 4.48Å; Y120-V144 HydrophobicContact CD1-CG1 3.95Å; Y120-V144 HydrophobicContact CE1-CG1 4.44Å; Y120-R145 HydrophobicContact CE1-CB 3.97Å; Y120-R145 HydrophobicContact CE1-CG 4.45Å
121	A	49.4	Very low	51.5	Low	74 Å²	74	73.2 Å²	73.2	61%	0.612	41%	0.407	S	S	*	.	H	α-helix	trans	-62.8	-18.8	174.9	0	0	0	0	0	113.5	L117	L117-A121 PolarHBondContact O-N 2.79Å
122	Q	50.2	Low	53.3	Low	135 Å²	135	71.3 Å²	71.3	63%	0.631	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-10.2	174.9	-66	176.8	12	0	0	113.2	G118 Y120 P124	G118-Q122 WeakPolarHBondContact O-CG 3.27Å; Y120-Q122 PolarHBondContact O-N 3.31Å; Q122-P124 WeakPolarHBondContact O-CD 3.22Å
123	I	54	Low	55	Low	42 Å²	42	69.5 Å²	69.5	22%	0.215	39%	0.394	C	S	.	.	S	Bend	trans	-72.3	123.6	179.4	-58.8	176.5	0	0	0	108	Y120 M129	Y120-I123 HydrophobicContact CD2-CD1 3.38Å; Y120-I123 HydrophobicContact CE2-CD1 3.64Å; Y120-I123 HydrophobicContact CG-CD1 3.97Å; Y120-I123 WeakPolarHBondContact O-CB 3.38Å; Y120-I123 WeakPolarHBondContact O-CG1 3.4Å; Y120-I123 PolarHBondContact O-N 2.88Å; I123-M129 HydrophobicContact CG2-CB 4.1Å
124	P	55	Low	56.4	Low	80 Å²	80	72 Å²	72	52%	0.519	41%	0.405	S	S	.	.			trans	-50.9	148.9	178.5	-28.2	35.4	0	0	0	113	Q122 D126 R145	Q122-P124 WeakPolarHBondContact O-CD 3.22Å; P124-D126 PolarHBondContact O-N 3.47Å; P124-D126 VanDerWaalsContact O-O 3.13Å; P124-R145 PolarHBondContact O-NH1 3.02Å; P124-R145 VanDerWaalsContact O-NH1 3.14Å; P124-R145 PolarHBondContact O-NH2 3.39Å
125	N	56.2	Low	57.6	Low	49 Å²	49	69.7 Å²	69.7	26%	0.262	39%	0.391	S	S	.	.	S	Bend	trans	-67.4	1.2	179.7	-70.4	-43.9	0	0	0	114.5	R145 M152 T162 N166	N125-R145 PolarHBondContact O-NH2 3.31Å; N125-M152 WeakPolarHBondContact ND2-CE 3.41Å; N125-M152 PolarHBondContact ND2-SD 2.78Å; N125-T162 HydrophobicContact CB-CG2 4.29Å; N125-N166 PolarHBondContact O-ND2 2.86Å
126	D	60.8	Low	58.4	Low	67 Å²	67	72.1 Å²	72.1	36%	0.358	41%	0.406	S	S	.	.	S	Bend	trans	-74.9	145.9	168.8	-148.7	-22.2	0	0	0	110.8	P124 D128 R145 K165	P124-D126 PolarHBondContact O-N 3.47Å; P124-D126 VanDerWaalsContact O-O 3.13Å; D126-D128 VanDerWaalsContact C-N 3.27Å; D126-R145 PolarHBondContact O-NH2 3.33Å; D126-K165 IonicContact OD1-NZ 2.81Å; D126-K165 PolarHBondContact OD1-NZ 3.43Å; D126-K165 VanDerWaalsContact OD1-NZ 3.12Å
127	T	61.6	Low	59.1	Low	31 Å²	31	70 Å²	70	19%	0.19	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-77.7	-16.6	178.6	48.1	0	0	0	0	112.6	M129 L130 K165	T127-M129 PolarHBondContact O-N 3.25Å; T127-L130 HydrophobicContact CG2-CD1 3.86Å; T127-L130 VanDerWaalsContact O-CB 3.27Å; T127-L130 WeakPolarHBondContact O-CB 3.49Å; T127-L130 WeakPolarHBondContact O-CG 3.5Å; T127-L130 PolarHBondContact O-N 3.07Å; T127-K165 HydrophobicContact CG2-CB 3.81Å
128	D	62	Low	60.3	Low	122 Å²	122	67.6 Å²	67.6	65%	0.652	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-66.1	-21.3	-172.7	-62.5	-4.8	0	0	0	113.2	D126	D126-D128 VanDerWaalsContact C-N 3.27Å
129	M	62	Low	61.4	Low	137 Å²	137	70.1 Å²	70.1	68%	0.675	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-96.9	3.5	176.8	-62	-64	-172.7	0	0	113.2	I123 T127	I123-M129 HydrophobicContact CG2-CB 4.1Å; T127-M129 PolarHBondContact O-N 3.25Å
130	L	65.2	Low	62.3	Low	26 Å²	26	69.6 Å²	69.6	14%	0.136	38%	0.375	C	S	.	.	S	Bend	trans	-79	150.1	-177.9	-65.8	177.6	0	0	0	111.7	Y120 T127 Y169	Y120-L130 WeakPolarHBondContact OH-CD2 3.11Å; T127-L130 HydrophobicContact CG2-CD1 3.86Å; T127-L130 VanDerWaalsContact O-CB 3.27Å; T127-L130 WeakPolarHBondContact O-CB 3.49Å; T127-L130 WeakPolarHBondContact O-CG 3.5Å; T127-L130 PolarHBondContact O-N 3.07Å; L130-Y169 HydrophobicContact CB-CD2 4.35Å; L130-Y169 HydrophobicContact CB-CE2 3.79Å; L130-Y169 HydrophobicContact CD1-CD1 3.7Å; L130-Y169 HydrophobicContact CD1-CD2 3.83Å; L130-Y169 HydrophobicContact CD1-CE1 3.85Å; L130-Y169 HydrophobicContact CD1-CE2 3.98Å; L130-Y169 HydrophobicContact CD1-CG 3.68Å
131	R	68.3	Low	63.3	Low	103 Å²	103	68.9 Å²	68.9	39%	0.389	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-65.2	150	174.4	-64.6	-170.9	-178.8	-138.5	4.9	110	T114 V133 Y169	T114-R131 PolarHBondContact OG1-NH1 3.35Å; T114-R131 VanDerWaalsContact OG1-NH1 3.08Å; T114-R131 PolarHBondContact OG1-NH2 3.09Å; R131-V133 PolarHBondContact O-N 3.02Å; R131-Y169 WeakPolarHBondContact O-CE2 3.15Å; R131-Y169 PolarHBondContact O-OH 3.46Å
132	S	72.3	Confident	64.5	Low	75 Å²	75	66 Å²	66	52%	0.524	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-53	139.9	173.5	179.3	0	0	0	0	110.3	N134 T135	S132-N134 PolarHBondContact O-N 3.33Å; S132-T135 PolarHBondContact O-N 2.88Å; S132-T135 PolarHBondContact O-OG1 3.46Å
133	V	75.5	Confident	65.5	Low	23 Å²	23	63.6 Å²	63.6	14%	0.139	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-25.2	-174.3	-177	0	0	0	0	112.4	R131 T135 S138 Y169 N172 V173 N176	R131-V133 PolarHBondContact O-N 3.02Å; V133-T135 PolarHBondContact O-N 2.83Å; V133-S138 WeakPolarHBondContact O-CB 3.18Å; V133-S138 PolarHBondContact O-OG 3.26Å; V133-Y169 HydrophobicContact CG2-CD2 4.18Å; V133-Y169 HydrophobicContact CG2-CE2 3.92Å; V133-N172 HydrophobicContact CG1-CB 3.84Å; V133-N172 WeakPolarHBondContact CG1-O 3.47Å; V133-N172 HydrophobicContact CG2-CB 3.97Å; V133-V173 HydrophobicContact CB-CG2 4.42Å; V133-V173 HydrophobicContact CG1-CB 4.19Å; V133-V173 HydrophobicContact CG1-CG2 3.77Å; V133-V173 VanDerWaalsContact CG1-N 3.31Å; V133-V173 HydrophobicContact CG2-CG2 4.49Å; V133-N176 HydrophobicContact CG1-CB 3.99Å; V133-N176 WeakPolarHBondContact CG1-ND2 3.43Å
134	N	70	Confident	66.2	Low	116 Å²	116	62.5 Å²	62.5	62%	0.62	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	0.9	-171.2	-46.7	5.3	0	0	0	112.9	S132 N176	S132-N134 PolarHBondContact O-N 3.33Å; N134-N176 PolarHBondContact OD1-OD1 2.78Å
135	T	68.1	Low	67	Low	39 Å²	39	59.1 Å²	59.1	24%	0.239	31%	0.308	C	S	.	.	S	Bend	trans	-83.2	141.8	179.2	63.1	0	0	0	0	110.4	S132 V133 E137 S138	S132-T135 PolarHBondContact O-N 2.88Å; S132-T135 PolarHBondContact O-OG1 3.46Å; V133-T135 PolarHBondContact O-N 2.83Å; T135-E137 WeakPolarHBondContact CB-OE2 3.34Å; T135-E137 PolarHBondContact O-N 2.86Å; T135-S138 VanDerWaalsContact O-CB 3.26Å; T135-S138 WeakPolarHBondContact O-CB 3.5Å; T135-S138 PolarHBondContact O-N 3.37Å; T135-S138 PolarHBondContact O-OG 3Å
136	P	61	Low	68.2	Low	89 Å²	89	60.3 Å²	60.3	58%	0.578	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-29.8	176.4	-27	35.2	0	0	0	113.8	L112 S138	L112-P136 HydrophobicContact CD2-CB 3.4Å; L112-P136 VanDerWaalsContact CD2-CB 3.4Å; P136-S138 VanDerWaalsContact C-N 3.29Å; P136-S138 PolarHBondContact O-N 3.14Å
137	E	62.4	Low	68.7	Low	38 Å²	38	58.9 Å²	58.9	18%	0.178	30%	0.302	C	S	.	.	H	α-helix	trans	-75.7	-13.6	179.7	-56.8	78.6	-169.9	0	0	113.6	L112 T135 A141	L112-E137 WeakPolarHBondContact O-CG 3.26Å; T135-E137 WeakPolarHBondContact CB-OE2 3.34Å; T135-E137 PolarHBondContact O-N 2.86Å; E137-A141 WeakPolarHBondContact O-CB 3.38Å; E137-A141 PolarHBondContact O-N 3.06Å
138	S	69.7	Low	69.2	Low	4 Å²	4	60.9 Å²	60.9	3%	0.028	31%	0.309	C	S	.	.	H	α-helix	trans	-67.4	-38.1	-174.7	70.8	0	0	0	0	112.4	V133 T135 P136 A141 C142	V133-S138 WeakPolarHBondContact O-CB 3.18Å; V133-S138 PolarHBondContact O-OG 3.26Å; T135-S138 VanDerWaalsContact O-CB 3.26Å; T135-S138 WeakPolarHBondContact O-CB 3.5Å; T135-S138 PolarHBondContact O-N 3.37Å; T135-S138 PolarHBondContact O-OG 3Å; P136-S138 VanDerWaalsContact C-N 3.29Å; P136-S138 PolarHBondContact O-N 3.14Å; S138-A141 PolarHBondContact O-N 2.77Å; S138-C142 WeakPolarHBondContact O-CB 3.43Å; S138-C142 PolarHBondContact O-N 2.71Å
139	L	70.7	Confident	69.9	Low	93 Å²	93	55.3 Å²	55.3	49%	0.487	28%	0.28	S	S	.	.	H	α-helix	trans	-59.5	-51.4	176.8	-97.9	151.7	0	0	0	111.6	C142 Y143 V173 A177	L139-C142 WeakPolarHBondContact O-CB 3.38Å; L139-C142 PolarHBondContact O-N 2.66Å; L139-Y143 WeakPolarHBondContact O-CB 3.36Å; L139-Y143 PolarHBondContact O-N 2.78Å; L139-V173 HydrophobicContact CB-CG1 4.42Å; L139-V173 HydrophobicContact CD2-CG1 4.35Å; L139-V173 HydrophobicContact CG-CG1 3.95Å; L139-A177 HydrophobicContact CD1-CB 3.79Å; L139-A177 HydrophobicContact CD2-CB 4.24Å; L139-A177 HydrophobicContact CG-CB 4.24Å
140	R	66.4	Low	70.6	Confident	92 Å²	92	53.4 Å²	53.4	35%	0.347	27%	0.266	S	S	.	.	H	α-helix	trans	-65.3	-45.6	178.1	-173.9	176.9	-176.3	158.8	5.3	111.2	C142 Y143 V144	R140-C142 VanDerWaalsContact C-N 3.27Å; R140-C142 PolarHBondContact O-N 3.14Å; R140-Y143 PolarHBondContact O-N 3.47Å; R140-V144 HydrophobicContact CG-CG2 4.47Å; R140-V144 WeakPolarHBondContact O-CG2 3.29Å; R140-V144 PolarHBondContact O-N 2.86Å
141	A	67.8	Low	70.8	Confident	11 Å²	11	55.4 Å²	55.4	9%	0.091	27%	0.271	C	S	.	.	H	α-helix	trans	-56.5	-42.4	175.9	0	0	0	0	0	111.6	Y120 E137 S138 R145	Y120-A141 HydrophobicContact CD2-CB 4.48Å; Y120-A141 WeakPolarHBondContact CE1-O 3.14Å; Y120-A141 HydrophobicContact CE2-CB 3.52Å; Y120-A141 VanDerWaalsContact CZ-O 3.32Å; Y120-A141 WeakPolarHBondContact OH-CB 3.46Å; Y120-A141 PolarHBondContact OH-O 3.31Å; E137-A141 WeakPolarHBondContact O-CB 3.38Å; E137-A141 PolarHBondContact O-N 3.06Å; S138-A141 PolarHBondContact O-N 2.77Å; A141-R145 WeakPolarHBondContact O-CB 3.06Å; A141-R145 PolarHBondContact O-N 3.06Å; A141-R145 VanDerWaalsContact O-N 3.08Å
142	C	75.8	Confident	71.1	Confident	13 Å²	13	51.8 Å²	51.8	9%	0.088	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-50.9	175.6	-179.5	0	0	0	0	111.8	S138 L139 R140 V144 R145 M146 Y169 A170 V173	S138-C142 WeakPolarHBondContact O-CB 3.43Å; S138-C142 PolarHBondContact O-N 2.71Å; L139-C142 WeakPolarHBondContact O-CB 3.38Å; L139-C142 PolarHBondContact O-N 2.66Å; R140-C142 VanDerWaalsContact C-N 3.27Å; R140-C142 PolarHBondContact O-N 3.14Å; C142-V144 PolarHBondContact O-N 3.28Å; C142-R145 PolarHBondContact O-N 3.04Å; C142-R145 VanDerWaalsContact O-N 3.15Å; C142-M146 WeakPolarHBondContact O-CG 3.46Å; C142-M146 PolarHBondContact O-N 3.08Å; C142-Y169 HydrophobicContact CB-CE1 4.33Å; C142-A170 WeakPolarHBondContact SG-CA 3.49Å; C142-A170 WeakPolarHBondContact SG-CB 3.11Å; C142-V173 HydrophobicContact CB-CB 4.26Å; C142-V173 HydrophobicContact CB-CG1 3.95Å; C142-V173 HydrophobicContact CB-CG2 4.24Å
143	Y	70.6	Confident	71.3	Confident	85 Å²	85	52 Å²	52	33%	0.333	25%	0.254	S	S	.	.	H	α-helix	trans	-54.1	-53.1	178.1	167	-101.9	0	0	0	112.2	L139 R140 R145 M146 R147	L139-Y143 WeakPolarHBondContact O-CB 3.36Å; L139-Y143 PolarHBondContact O-N 2.78Å; R140-Y143 PolarHBondContact O-N 3.47Å; Y143-R145 VanDerWaalsContact C-N 3.27Å; Y143-R145 PolarHBondContact O-N 3.3Å; Y143-M146 PolarHBondContact O-N 3.41Å; Y143-R147 PolarHBondContact O-N 3.43Å; Y143-R147 PolarHBondContact OH-NH1 2.99Å
144	V	68.2	Low	71.2	Confident	19 Å²	19	55.9 Å²	55.9	12%	0.115	27%	0.27	C	S	.	.	H	α-helix	trans	-60	-40.1	178.9	172.3	0	0	0	0	111	L117 Y120 R140 C142 R147 H148	L117-V144 HydrophobicContact CD2-CB 4.3Å; L117-V144 HydrophobicContact CD2-CG1 3.47Å; L117-V144 VanDerWaalsContact CD2-CG1 3.47Å; L117-V144 HydrophobicContact CD2-CG2 3.78Å; L117-V144 HydrophobicContact CG-CG1 4.38Å; L117-V144 HydrophobicContact CG-CG2 4.33Å; Y120-V144 HydrophobicContact CD1-CB 4.48Å; Y120-V144 HydrophobicContact CD1-CG1 3.95Å; Y120-V144 HydrophobicContact CE1-CG1 4.44Å; R140-V144 HydrophobicContact CG-CG2 4.47Å; R140-V144 WeakPolarHBondContact O-CG2 3.29Å; R140-V144 PolarHBondContact O-N 2.86Å; C142-V144 PolarHBondContact O-N 3.28Å; V144-R147 PolarHBondContact O-N 3.48Å; V144-H148 PolarHBondContact O-N 3.36Å
145	R	73.5	Confident	71.7	Confident	10 Å²	10	54.2 Å²	54.2	4%	0.038	27%	0.265	C	S	.	.	H	α-helix	trans	-68.6	-41	-179	-162.9	165.5	174.2	111.1	-16.5	112.9	Y120 P124 N125 D126 A141 C142 Y143 R147 H148 I149 N166	Y120-R145 HydrophobicContact CE1-CB 3.97Å; Y120-R145 HydrophobicContact CE1-CG 4.45Å; P124-R145 PolarHBondContact O-NH1 3.02Å; P124-R145 VanDerWaalsContact O-NH1 3.14Å; P124-R145 PolarHBondContact O-NH2 3.39Å; N125-R145 PolarHBondContact O-NH2 3.31Å; D126-R145 PolarHBondContact O-NH2 3.33Å; A141-R145 WeakPolarHBondContact O-CB 3.06Å; A141-R145 PolarHBondContact O-N 3.06Å; A141-R145 VanDerWaalsContact O-N 3.08Å; C142-R145 PolarHBondContact O-N 3.04Å; C142-R145 VanDerWaalsContact O-N 3.15Å; Y143-R145 VanDerWaalsContact C-N 3.27Å; Y143-R145 PolarHBondContact O-N 3.3Å; R145-R147 PolarHBondContact O-N 3.33Å; R145-H148 WeakPolarHBondContact O-CB 3.2Å; R145-H148 PolarHBondContact O-N 3.29Å; R145-I149 HydrophobicContact CG-CD1 3.85Å; R145-I149 HydrophobicContact CG-CG1 4.4Å; R145-I149 WeakPolarHBondContact O-CD1 3.49Å; R145-I149 WeakPolarHBondContact O-CG1 3.14Å; R145-I149 PolarHBondContact O-N 2.84Å; R145-N166 PolarHBondContact NE-OD1 2.89Å; R145-N166 PolarHBondContact NH2-OD1 3.15Å
146	M	79.9	Confident	72.2	Confident	74 Å²	74	59.4 Å²	59.4	37%	0.365	29%	0.291	S	S	.	.	H	α-helix	trans	-60.4	-35	177.6	-70.6	-61.8	-109	0	0	111.5	C142 Y143 I149 Y150 A170	C142-M146 WeakPolarHBondContact O-CG 3.46Å; C142-M146 PolarHBondContact O-N 3.08Å; Y143-M146 PolarHBondContact O-N 3.41Å; M146-I149 PolarHBondContact O-N 2.7Å; M146-I149 HydrophobicContact SD-CD1 3.94Å; M146-Y150 WeakPolarHBondContact O-CB 3.48Å; M146-Y150 PolarHBondContact O-N 3.13Å; M146-A170 HydrophobicContact CE-CB 3.51Å; M146-A170 HydrophobicContact CG-CB 4.34Å; M146-A170 HydrophobicContact SD-CB 3.92Å
147	R	72.5	Confident	73.1	Confident	37 Å²	37	64.1 Å²	64.1	14%	0.14	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-41	172.3	-63.1	-177.9	75.4	170	5.7	112.5	T90 D92 Y143 V144 R145 R151	T90-R147 PolarHBondContact O-NH1 3.45Å; D92-R147 IonicContact OD1-NH1 2.55Å; Y143-R147 PolarHBondContact O-N 3.43Å; Y143-R147 PolarHBondContact OH-NH1 2.99Å; V144-R147 PolarHBondContact O-N 3.48Å; R145-R147 PolarHBondContact O-N 3.33Å; R147-R151 PolarHBondContact O-N 3.04Å
148	H	70.5	Confident	73.8	Confident	72 Å²	72	63.2 Å²	63.2	33%	0.333	29%	0.293	S	S	.	.	H	α-helix	trans	-66.6	-42.9	175.6	-172.3	70.6	0	0	0	112	V144 R145 Y150 R151 M152	V144-H148 PolarHBondContact O-N 3.36Å; R145-H148 WeakPolarHBondContact O-CB 3.2Å; R145-H148 PolarHBondContact O-N 3.29Å; H148-Y150 PolarHBondContact O-N 2.9Å; H148-R151 PolarHBondContact O-N 3.38Å; H148-M152 PolarHBondContact NE2-SD 3.33Å; H148-M152 WeakPolarHBondContact O-CG 3.45Å; H148-M152 PolarHBondContact O-N 2.77Å
149	I	77	Confident	74.3	Confident	6 Å²	6	65.2 Å²	65.2	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-59.5	-45.9	176.8	-71.5	155.8	0	0	0	110.9	R145 M146 R151 M152 I153 M158 L163 N166	R145-I149 HydrophobicContact CG-CD1 3.85Å; R145-I149 HydrophobicContact CG-CG1 4.4Å; R145-I149 WeakPolarHBondContact O-CD1 3.49Å; R145-I149 WeakPolarHBondContact O-CG1 3.14Å; R145-I149 PolarHBondContact O-N 2.84Å; M146-I149 PolarHBondContact O-N 2.7Å; M146-I149 HydrophobicContact SD-CD1 3.94Å; I149-R151 VanDerWaalsContact C-N 3.31Å; I149-R151 PolarHBondContact O-N 3.03Å; I149-M152 WeakPolarHBondContact O-CB 3.46Å; I149-M152 PolarHBondContact O-N 3.43Å; I149-I153 HydrophobicContact CG2-CD1 3.8Å; I149-I153 HydrophobicContact CG2-CG1 4.26Å; I149-I153 WeakPolarHBondContact O-CG1 3.27Å; I149-I153 PolarHBondContact O-N 3.49Å; I149-M158 HydrophobicContact CB-CE 4.21Å; I149-M158 HydrophobicContact CB-SD 4.43Å; I149-M158 HydrophobicContact CG1-CE 3.82Å; I149-M158 HydrophobicContact CG1-SD 4.29Å; I149-M158 HydrophobicContact CG2-CE 4.17Å; I149-M158 HydrophobicContact CG2-SD 3.76Å; I149-L163 HydrophobicContact CG2-CD1 3.66Å; I149-N166 HydrophobicContact CD1-CB 3.4Å; I149-N166 HydrophobicContact CG1-CB 4.31Å
150	Y	76.7	Confident	74.8	Confident	97 Å²	97	68.7 Å²	68.7	38%	0.38	33%	0.325	S	S	.	.	H	α-helix	trans	-52.4	-48.8	176.7	-179.9	-96.4	0	0	0	111.7	M146 H148 M152 I153 E154	M146-Y150 WeakPolarHBondContact O-CB 3.48Å; M146-Y150 PolarHBondContact O-N 3.13Å; H148-Y150 PolarHBondContact O-N 2.9Å; Y150-M152 VanDerWaalsContact C-N 3.33Å; Y150-M152 PolarHBondContact O-N 3.12Å; Y150-I153 WeakPolarHBondContact O-CB 3.35Å; Y150-I153 PolarHBondContact O-N 2.99Å; Y150-E154 HydrophobicContact CD1-CG 4.3Å; Y150-E154 HydrophobicContact CE1-CG 3.95Å; Y150-E154 WeakPolarHBondContact CE1-OE1 3.32Å; Y150-E154 PolarHBondContact O-N 3.29Å
151	R	68.9	Low	75.5	Confident	67 Å²	67	67.8 Å²	67.8	25%	0.253	34%	0.338	S	S	.	.	H	α-helix	trans	-62.7	-37.2	176	-66	-178.4	179.3	-167.7	-5.3	113.4	L82 R83 T84 R147 H148 I149 I153 E154 T155	L82-R151 PolarHBondContact O-NH2 2.77Å; R83-R151 VanDerWaalsContact C-NH2 3.33Å; R83-R151 PolarHBondContact O-NH2 3.33Å; T84-R151 HydrophobicContact CG2-CG 4.12Å; R147-R151 PolarHBondContact O-N 3.04Å; H148-R151 PolarHBondContact O-N 3.38Å; I149-R151 VanDerWaalsContact C-N 3.31Å; I149-R151 PolarHBondContact O-N 3.03Å; R151-I153 VanDerWaalsContact C-N 3.32Å; R151-E154 PolarHBondContact O-N 3.37Å; R151-T155 WeakPolarHBondContact O-CB 3.47Å; R151-T155 WeakPolarHBondContact O-CG2 3.36Å; R151-T155 PolarHBondContact O-N 3.14Å; R151-T155 PolarHBondContact O-OG1 3.28Å
152	M	74.7	Confident	76.1	Confident	27 Å²	27	69.8 Å²	69.8	13%	0.133	35%	0.349	C	S	.	.	H	α-helix	trans	-69.9	-31.2	177.5	-71.6	-170	65.6	0	0	112.5	N125 H148 I149 Y150 T155 D156 R157 M158	N125-M152 WeakPolarHBondContact ND2-CE 3.41Å; N125-M152 PolarHBondContact ND2-SD 2.78Å; H148-M152 PolarHBondContact NE2-SD 3.33Å; H148-M152 WeakPolarHBondContact O-CG 3.45Å; H148-M152 PolarHBondContact O-N 2.77Å; I149-M152 WeakPolarHBondContact O-CB 3.46Å; I149-M152 PolarHBondContact O-N 3.43Å; Y150-M152 VanDerWaalsContact C-N 3.33Å; Y150-M152 PolarHBondContact O-N 3.12Å; M152-T155 PolarHBondContact O-OG1 2.99Å; M152-D156 PolarHBondContact O-N 3.43Å; M152-R157 HydrophobicContact CE-CB 4.23Å; M152-R157 WeakPolarHBondContact CE-O 3.45Å; M152-R157 PolarHBondContact O-N 2.87Å; M152-M158 HydrophobicContact CB-CB 4.07Å; M152-M158 HydrophobicContact CB-CE 3.73Å; M152-M158 HydrophobicContact CE-CB 4.35Å; M152-M158 HydrophobicContact CE-CE 3.82Å; M152-M158 HydrophobicContact CG-CE 4.16Å; M152-M158 HydrophobicContact SD-CE 3.43Å; M152-M158 WeakPolarHBondContact SD-CE 3.13Å
153	I	77.1	Confident	76.5	Confident	81 Å²	81	71.2 Å²	71.2	42%	0.415	36%	0.355	S	S	.	.	H	α-helix	trans	-69.4	-47.8	171.3	-63.4	166.4	0	0	0	109.7	I149 Y150 R151 T155 D156 L163	I149-I153 HydrophobicContact CG2-CD1 3.8Å; I149-I153 HydrophobicContact CG2-CG1 4.26Å; I149-I153 WeakPolarHBondContact O-CG1 3.27Å; I149-I153 PolarHBondContact O-N 3.49Å; Y150-I153 WeakPolarHBondContact O-CB 3.35Å; Y150-I153 PolarHBondContact O-N 2.99Å; R151-I153 VanDerWaalsContact C-N 3.32Å; I153-T155 PolarHBondContact O-N 3.48Å; I153-D156 PolarHBondContact O-N 3.29Å; I153-L163 HydrophobicContact CD1-CD1 3.58Å; I153-L163 HydrophobicContact CD1-CD2 4Å; I153-L163 HydrophobicContact CD1-CG 4.45Å; I153-L163 HydrophobicContact CG1-CD1 4.23Å; I153-L163 HydrophobicContact CG1-CD2 4.33Å
154	E	73.6	Confident	77	Confident	104 Å²	104	72.6 Å²	72.6	49%	0.486	37%	0.366	S	S	.	.	H	α-helix	trans	-56.7	-35.9	177.2	-74.9	-173.2	129.4	0	0	112.6	Y150 R151 D156	Y150-E154 HydrophobicContact CD1-CG 4.3Å; Y150-E154 HydrophobicContact CE1-CG 3.95Å; Y150-E154 WeakPolarHBondContact CE1-OE1 3.32Å; Y150-E154 PolarHBondContact O-N 3.29Å; R151-E154 PolarHBondContact O-N 3.37Å; E154-D156 VanDerWaalsContact C-N 3.34Å
155	T	80.8	Confident	77.7	Confident	81 Å²	81	76.1 Å²	76.1	50%	0.497	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	6.3	178.7	55.3	0	0	0	0	114	R151 M152 I153 R157	R151-T155 WeakPolarHBondContact O-CB 3.47Å; R151-T155 WeakPolarHBondContact O-CG2 3.36Å; R151-T155 PolarHBondContact O-N 3.14Å; R151-T155 PolarHBondContact O-OG1 3.28Å; M152-T155 PolarHBondContact O-OG1 2.99Å; I153-T155 PolarHBondContact O-N 3.48Å; T155-R157 WeakPolarHBondContact O-CG 3.36Å; T155-R157 PolarHBondContact O-N 3.05Å
156	D	78.9	Confident	78.2	Confident	148 Å²	148	75.8 Å²	75.8	79%	0.791	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	31.7	-178.1	-155.2	30.8	0	0	0	114	M152 I153 E154	M152-D156 PolarHBondContact O-N 3.43Å; I153-D156 PolarHBondContact O-N 3.29Å; E154-D156 VanDerWaalsContact C-N 3.34Å
157	R	78.9	Confident	78.4	Confident	187 Å²	187	75.7 Å²	75.7	71%	0.706	38%	0.379	S	S	*	.			trans	-96.1	5.3	-179.1	-64.2	-168.9	-177.1	-164.3	2.4	113.6	M152 T155	M152-R157 HydrophobicContact CE-CB 4.23Å; M152-R157 WeakPolarHBondContact CE-O 3.45Å; M152-R157 PolarHBondContact O-N 2.87Å; T155-R157 WeakPolarHBondContact O-CG 3.36Å; T155-R157 PolarHBondContact O-N 3.05Å
158	M	78.6	Confident	79	Confident	20 Å²	20	78.9 Å²	78.9	10%	0.099	40%	0.396	C	S	.	.			trans	-120.5	117.7	-176.7	-169.5	166.8	-72.2	0	0	112.1	I149 M152 T162 L163	I149-M158 HydrophobicContact CB-CE 4.21Å; I149-M158 HydrophobicContact CB-SD 4.43Å; I149-M158 HydrophobicContact CG1-CE 3.82Å; I149-M158 HydrophobicContact CG1-SD 4.29Å; I149-M158 HydrophobicContact CG2-CE 4.17Å; I149-M158 HydrophobicContact CG2-SD 3.76Å; M152-M158 HydrophobicContact CB-CB 4.07Å; M152-M158 HydrophobicContact CB-CE 3.73Å; M152-M158 HydrophobicContact CE-CB 4.35Å; M152-M158 HydrophobicContact CE-CE 3.82Å; M152-M158 HydrophobicContact CG-CE 4.16Å; M152-M158 HydrophobicContact SD-CE 3.43Å; M152-M158 WeakPolarHBondContact SD-CE 3.13Å; M158-T162 HydrophobicContact CE-CG2 4.46Å; M158-T162 HydrophobicContact CG-CG2 4.24Å; M158-T162 HydrophobicContact SD-CG2 4.42Å; M158-L163 HydrophobicContact CG-CB 4.18Å; M158-L163 HydrophobicContact SD-CB 3.98Å; M158-L163 HydrophobicContact SD-CD1 4.12Å
159	G	80.1	Confident	79.6	Confident	46 Å²	46	76.4 Å²	76.4	47%	0.474	38%	0.384	S	S	.	.			trans	-68.6	147.3	172.2	0	0	0	0	0	112.4	A161 T162 L163	G159-A161 PolarHBondContact O-N 3.09Å; G159-A161 VanDerWaalsContact O-N 3.13Å; G159-T162 PolarHBondContact O-N 2.9Å; G159-L163 PolarHBondContact O-N 2.86Å
160	K	80.9	Confident	79.9	Confident	165 Å²	165	76.3 Å²	76.3	72%	0.717	38%	0.383	S	S	*	.	H	α-helix	trans	-47.4	-42.6	178.6	-178.5	178.8	178.3	178.5	0	113.5	L163 M164	K160-L163 PolarHBondContact O-N 2.88Å; K160-M164 HydrophobicContact CG-CG 4.35Å; K160-M164 HydrophobicContact CG-SD 4.03Å; K160-M164 WeakPolarHBondContact O-CB 3.5Å; K160-M164 VanDerWaalsContact O-CG 3.3Å; K160-M164 WeakPolarHBondContact O-CG 3.28Å; K160-M164 PolarHBondContact O-N 2.96Å
161	A	80.2	Confident	80.2	Confident	73 Å²	73	74.8 Å²	74.8	60%	0.603	38%	0.381	S	S	*	.	H	α-helix	trans	-62.9	-43.3	-179.3	0	0	0	0	0	112.5	G159 K165	G159-A161 PolarHBondContact O-N 3.09Å; G159-A161 VanDerWaalsContact O-N 3.13Å; A161-K165 WeakPolarHBondContact O-CG 3.41Å; A161-K165 PolarHBondContact O-N 2.73Å; A161-K165 VanDerWaalsContact O-N 3.09Å
162	T	80.7	Confident	80.9	Confident	53 Å²	53	73.9 Å²	73.9	33%	0.325	38%	0.381	S	S	.	.	H	α-helix	trans	-67.2	-41.5	176.3	-53.5	0	0	0	0	110.9	N125 M158 G159 K165 N166	N125-T162 HydrophobicContact CB-CG2 4.29Å; M158-T162 HydrophobicContact CE-CG2 4.46Å; M158-T162 HydrophobicContact CG-CG2 4.24Å; M158-T162 HydrophobicContact SD-CG2 4.42Å; G159-T162 PolarHBondContact O-N 2.9Å; T162-K165 PolarHBondContact O-N 3.11Å; T162-N166 PolarHBondContact O-N 3.2Å; T162-N166 VanDerWaalsContact O-N 3.12Å; T162-N166 PolarHBondContact O-ND2 2.93Å
163	L	83.9	Confident	81.4	Confident	43 Å²	43	72.7 Å²	72.7	23%	0.225	38%	0.376	C	S	.	.	H	α-helix	trans	-59.6	-49.6	175.6	177.8	56.3	0	0	0	111.6	I149 I153 M158 G159 K160 K165 N166 I167	I149-L163 HydrophobicContact CG2-CD1 3.66Å; I153-L163 HydrophobicContact CD1-CD1 3.58Å; I153-L163 HydrophobicContact CD1-CD2 4Å; I153-L163 HydrophobicContact CD1-CG 4.45Å; I153-L163 HydrophobicContact CG1-CD1 4.23Å; I153-L163 HydrophobicContact CG1-CD2 4.33Å; M158-L163 HydrophobicContact CG-CB 4.18Å; M158-L163 HydrophobicContact SD-CB 3.98Å; M158-L163 HydrophobicContact SD-CD1 4.12Å; G159-L163 PolarHBondContact O-N 2.86Å; K160-L163 PolarHBondContact O-N 2.88Å; L163-K165 PolarHBondContact O-N 3.31Å; L163-N166 PolarHBondContact O-N 3.39Å; L163-N166 VanDerWaalsContact O-N 3.14Å; L163-I167 HydrophobicContact CD1-CD1 3.78Å; L163-I167 HydrophobicContact CD1-CG1 4.03Å; L163-I167 HydrophobicContact CD2-CD1 4.5Å; L163-I167 HydrophobicContact CG-CD1 3.81Å; L163-I167 HydrophobicContact CG-CG1 4.44Å; L163-I167 WeakPolarHBondContact O-CG1 3.46Å; L163-I167 PolarHBondContact O-N 3.27Å
164	M	80.7	Confident	81.7	Confident	114 Å²	114	74 Å²	74	56%	0.562	38%	0.382	S	S	*	.	H	α-helix	trans	-59.5	-44.5	178.9	-73.2	-179.2	70	0	0	112.3	K160 N166 I167 Q168	K160-M164 HydrophobicContact CG-CG 4.35Å; K160-M164 HydrophobicContact CG-SD 4.03Å; K160-M164 WeakPolarHBondContact O-CB 3.5Å; K160-M164 VanDerWaalsContact O-CG 3.3Å; K160-M164 WeakPolarHBondContact O-CG 3.28Å; K160-M164 PolarHBondContact O-N 2.96Å; M164-N166 VanDerWaalsContact C-N 3.28Å; M164-N166 PolarHBondContact O-N 2.89Å; M164-I167 PolarHBondContact O-N 2.86Å; M164-Q168 WeakPolarHBondContact O-CB 3.38Å; M164-Q168 PolarHBondContact O-N 2.92Å
165	K	83.7	Confident	81.9	Confident	94 Å²	94	74.1 Å²	74.1	41%	0.409	38%	0.382	S	S	.	.	H	α-helix	trans	-56.9	-43	175.3	-79.6	-174.2	170.3	-162.5	0	111.8	D126 T127 A161 T162 L163 Q168 Y169	D126-K165 IonicContact OD1-NZ 2.81Å; D126-K165 PolarHBondContact OD1-NZ 3.43Å; D126-K165 VanDerWaalsContact OD1-NZ 3.12Å; T127-K165 HydrophobicContact CG2-CB 3.81Å; A161-K165 WeakPolarHBondContact O-CG 3.41Å; A161-K165 PolarHBondContact O-N 2.73Å; A161-K165 VanDerWaalsContact O-N 3.09Å; T162-K165 PolarHBondContact O-N 3.11Å; L163-K165 PolarHBondContact O-N 3.31Å; K165-Q168 PolarHBondContact O-N 3.46Å; K165-Y169 PolarHBondContact O-N 2.94Å
166	N	82.9	Confident	81.9	Confident	3 Å²	3	72.7 Å²	72.7	2%	0.016	37%	0.371	C	S	.	.	H	α-helix	trans	-72.6	-39.7	-178.8	-78.2	-75.3	0	0	0	113.1	N125 R145 I149 T162 L163 M164 Q168 Y169 A170	N125-N166 PolarHBondContact O-ND2 2.86Å; R145-N166 PolarHBondContact NE-OD1 2.89Å; R145-N166 PolarHBondContact NH2-OD1 3.15Å; I149-N166 HydrophobicContact CD1-CB 3.4Å; I149-N166 HydrophobicContact CG1-CB 4.31Å; T162-N166 PolarHBondContact O-N 3.2Å; T162-N166 VanDerWaalsContact O-N 3.12Å; T162-N166 PolarHBondContact O-ND2 2.93Å; L163-N166 PolarHBondContact O-N 3.39Å; L163-N166 VanDerWaalsContact O-N 3.14Å; M164-N166 VanDerWaalsContact C-N 3.28Å; M164-N166 PolarHBondContact O-N 2.89Å; N166-Q168 VanDerWaalsContact C-N 3.31Å; N166-Q168 PolarHBondContact O-N 3.28Å; N166-Y169 PolarHBondContact O-N 3Å; N166-A170 PolarHBondContact O-N 3.47Å
167	I	85.7	Confident	81.9	Confident	71 Å²	71	67.2 Å²	67.2	36%	0.364	35%	0.347	S	S	.	.	H	α-helix	trans	-60.7	-43.8	172.8	-68.8	171.6	0	0	0	110	L163 M164 Y169 A170 I171	L163-I167 HydrophobicContact CD1-CD1 3.78Å; L163-I167 HydrophobicContact CD1-CG1 4.03Å; L163-I167 HydrophobicContact CD2-CD1 4.5Å; L163-I167 HydrophobicContact CG-CD1 3.81Å; L163-I167 HydrophobicContact CG-CG1 4.44Å; L163-I167 WeakPolarHBondContact O-CG1 3.46Å; L163-I167 PolarHBondContact O-N 3.27Å; M164-I167 PolarHBondContact O-N 2.86Å; I167-Y169 VanDerWaalsContact C-N 3.34Å; I167-Y169 PolarHBondContact O-N 3.24Å; I167-A170 WeakPolarHBondContact O-CB 3.47Å; I167-A170 PolarHBondContact O-N 2.79Å; I167-A170 VanDerWaalsContact O-N 3.15Å; I167-I171 HydrophobicContact CG2-CD1 3.88Å; I167-I171 HydrophobicContact CG2-CG1 4.41Å; I167-I171 WeakPolarHBondContact O-CG1 3.49Å; I167-I171 PolarHBondContact O-N 3.21Å
168	Q	83.6	Confident	81.5	Confident	104 Å²	104	65 Å²	65	49%	0.486	34%	0.339	S	S	.	.	H	α-helix	trans	-59.9	-43.9	176.8	-174	64.4	57.8	0	0	112	M164 K165 N166 A170 I171 N172	M164-Q168 WeakPolarHBondContact O-CB 3.38Å; M164-Q168 PolarHBondContact O-N 2.92Å; K165-Q168 PolarHBondContact O-N 3.46Å; N166-Q168 VanDerWaalsContact C-N 3.31Å; N166-Q168 PolarHBondContact O-N 3.28Å; Q168-A170 VanDerWaalsContact C-N 3.32Å; Q168-A170 PolarHBondContact O-N 3.46Å; Q168-I171 PolarHBondContact O-N 3.06Å; Q168-N172 PolarHBondContact NE2-OD1 3.41Å; Q168-N172 PolarHBondContact O-N 3.04Å; Q168-N172 PolarHBondContact O-ND2 3.35Å; Q168-N172 PolarHBondContact O-OD1 3.28Å
169	Y	83.4	Confident	81.4	Confident	21 Å²	21	68.1 Å²	68.1	8%	0.082	36%	0.355	C	S	.	.	H	α-helix	trans	-59.9	-43.5	175	-179.4	-97.3	0	0	0	111.6	L130 R131 V133 C142 K165 N166 I167 N172 V173	L130-Y169 HydrophobicContact CB-CD2 4.35Å; L130-Y169 HydrophobicContact CB-CE2 3.79Å; L130-Y169 HydrophobicContact CD1-CD1 3.7Å; L130-Y169 HydrophobicContact CD1-CD2 3.83Å; L130-Y169 HydrophobicContact CD1-CE1 3.85Å; L130-Y169 HydrophobicContact CD1-CE2 3.98Å; L130-Y169 HydrophobicContact CD1-CG 3.68Å; R131-Y169 WeakPolarHBondContact O-CE2 3.15Å; R131-Y169 PolarHBondContact O-OH 3.46Å; V133-Y169 HydrophobicContact CG2-CD2 4.18Å; V133-Y169 HydrophobicContact CG2-CE2 3.92Å; C142-Y169 HydrophobicContact CB-CE1 4.33Å; K165-Y169 PolarHBondContact O-N 2.94Å; N166-Y169 PolarHBondContact O-N 3Å; I167-Y169 VanDerWaalsContact C-N 3.34Å; I167-Y169 PolarHBondContact O-N 3.24Å; Y169-N172 PolarHBondContact O-N 3Å; Y169-V173 HydrophobicContact CD1-CG2 4.06Å; Y169-V173 HydrophobicContact CE1-CG2 3.64Å; Y169-V173 HydrophobicContact CE2-CG2 4.34Å; Y169-V173 WeakPolarHBondContact O-CG2 3.31Å; Y169-V173 PolarHBondContact O-N 2.85Å
170	A	84.8	Confident	81.1	Confident	3 Å²	3	68.7 Å²	68.7	3%	0.025	36%	0.356	C	S	.	.	H	α-helix	trans	-63.3	-43.7	178.7	0	0	0	0	0	112.9	C142 M146 N166 I167 Q168 N172 V173 M174	C142-A170 WeakPolarHBondContact SG-CA 3.49Å; C142-A170 WeakPolarHBondContact SG-CB 3.11Å; M146-A170 HydrophobicContact CE-CB 3.51Å; M146-A170 HydrophobicContact CG-CB 4.34Å; M146-A170 HydrophobicContact SD-CB 3.92Å; N166-A170 PolarHBondContact O-N 3.47Å; I167-A170 WeakPolarHBondContact O-CB 3.47Å; I167-A170 PolarHBondContact O-N 2.79Å; I167-A170 VanDerWaalsContact O-N 3.15Å; Q168-A170 VanDerWaalsContact C-N 3.32Å; Q168-A170 PolarHBondContact O-N 3.46Å; A170-N172 VanDerWaalsContact C-N 3.33Å; A170-N172 PolarHBondContact O-N 3.42Å; A170-V173 PolarHBondContact O-N 3.29Å; A170-M174 WeakPolarHBondContact O-CE 3.42Å; A170-M174 WeakPolarHBondContact O-CG 3.42Å; A170-M174 PolarHBondContact O-N 3.3Å
171	I	81.1	Confident	80.8	Confident	65 Å²	65	64.9 Å²	64.9	33%	0.333	34%	0.34	S	S	.	.	H	α-helix	trans	-56.4	-50.2	173.9	-69.3	167.7	0	0	0	109.8	I167 Q168 V173 M174 E175	I167-I171 HydrophobicContact CG2-CD1 3.88Å; I167-I171 HydrophobicContact CG2-CG1 4.41Å; I167-I171 WeakPolarHBondContact O-CG1 3.49Å; I167-I171 PolarHBondContact O-N 3.21Å; Q168-I171 PolarHBondContact O-N 3.06Å; I171-V173 VanDerWaalsContact C-N 3.29Å; I171-V173 PolarHBondContact O-N 3.43Å; I171-M174 HydrophobicContact CG1-CE 4.44Å; I171-M174 PolarHBondContact O-N 3.02Å; I171-M174 VanDerWaalsContact O-N 3.16Å; I171-E175 HydrophobicContact CG2-CG 4.22Å; I171-E175 WeakPolarHBondContact O-CG 3.42Å; I171-E175 PolarHBondContact O-N 2.63Å
172	N	85.3	Confident	80.2	Confident	49 Å²	49	67 Å²	67	26%	0.262	34%	0.336	S	S	.	.	H	α-helix	trans	-60.3	-39.6	-179.1	-63.2	-10	0	0	0	111.8	V133 Q168 Y169 A170 N176	V133-N172 HydrophobicContact CG1-CB 3.84Å; V133-N172 WeakPolarHBondContact CG1-O 3.47Å; V133-N172 HydrophobicContact CG2-CB 3.97Å; Q168-N172 PolarHBondContact NE2-OD1 3.41Å; Q168-N172 PolarHBondContact O-N 3.04Å; Q168-N172 PolarHBondContact O-ND2 3.35Å; Q168-N172 PolarHBondContact O-OD1 3.28Å; Y169-N172 PolarHBondContact O-N 3Å; A170-N172 VanDerWaalsContact C-N 3.33Å; A170-N172 PolarHBondContact O-N 3.42Å; N172-N176 WeakPolarHBondContact O-CB 3.49Å; N172-N176 PolarHBondContact O-N 2.77Å; N172-N176 PolarHBondContact O-ND2 3.13Å
173	V	84	Confident	79.6	Confident	2 Å²	2	71.6 Å²	71.6	1%	0.012	35%	0.347	C	S	.	.	H	α-helix	trans	-64	-45	177.3	170.9	0	0	0	0	110.9	V133 L139 C142 Y169 A170 I171 N176 A177	V133-V173 HydrophobicContact CB-CG2 4.42Å; V133-V173 HydrophobicContact CG1-CB 4.19Å; V133-V173 HydrophobicContact CG1-CG2 3.77Å; V133-V173 VanDerWaalsContact CG1-N 3.31Å; V133-V173 HydrophobicContact CG2-CG2 4.49Å; L139-V173 HydrophobicContact CB-CG1 4.42Å; L139-V173 HydrophobicContact CD2-CG1 4.35Å; L139-V173 HydrophobicContact CG-CG1 3.95Å; C142-V173 HydrophobicContact CB-CB 4.26Å; C142-V173 HydrophobicContact CB-CG1 3.95Å; C142-V173 HydrophobicContact CB-CG2 4.24Å; Y169-V173 HydrophobicContact CD1-CG2 4.06Å; Y169-V173 HydrophobicContact CE1-CG2 3.64Å; Y169-V173 HydrophobicContact CE2-CG2 4.34Å; Y169-V173 WeakPolarHBondContact O-CG2 3.31Å; Y169-V173 PolarHBondContact O-N 2.85Å; A170-V173 PolarHBondContact O-N 3.29Å; I171-V173 VanDerWaalsContact C-N 3.29Å; I171-V173 PolarHBondContact O-N 3.43Å; V173-N176 PolarHBondContact O-N 3.22Å; V173-A177 WeakPolarHBondContact O-CB 3.42Å; V173-A177 PolarHBondContact O-N 2.98Å
174	M	82.9	Confident	79.1	Confident	109 Å²	109	74 Å²	74	54%	0.537	35%	0.353	S	S	.	.	H	α-helix	trans	-66.1	-41.4	177.6	-68.4	-175.8	-67.5	0	0	112.1	A170 I171 A177 Y178	A170-M174 WeakPolarHBondContact O-CE 3.42Å; A170-M174 WeakPolarHBondContact O-CG 3.42Å; A170-M174 PolarHBondContact O-N 3.3Å; I171-M174 HydrophobicContact CG1-CE 4.44Å; I171-M174 PolarHBondContact O-N 3.02Å; I171-M174 VanDerWaalsContact O-N 3.16Å; M174-A177 PolarHBondContact O-N 3.4Å; M174-Y178 WeakPolarHBondContact O-CB 3.19Å; M174-Y178 PolarHBondContact O-N 3.27Å
175	E	78.7	Confident	78.4	Confident	105 Å²	105	72.1 Å²	72.1	49%	0.491	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-45.5	175.7	-75.6	-179.5	161.8	0	0	111.8	I171 Y178 I179	I171-E175 HydrophobicContact CG2-CG 4.22Å; I171-E175 WeakPolarHBondContact O-CG 3.42Å; I171-E175 PolarHBondContact O-N 2.63Å; E175-Y178 PolarHBondContact O-N 3.11Å; E175-I179 WeakPolarHBondContact O-CB 3.21Å; E175-I179 VanDerWaalsContact O-CG1 3.25Å; E175-I179 WeakPolarHBondContact O-CG1 3.3Å; E175-I179 PolarHBondContact O-N 3.45Å
176	N	80.9	Confident	77.4	Confident	52 Å²	52	74.6 Å²	74.6	28%	0.278	35%	0.352	S	S	.	.	H	α-helix	trans	-65.5	-39.9	177.6	-83.8	-78.8	0	0	0	112	V133 N134 N172 V173 Y178 I179 A180	V133-N176 HydrophobicContact CG1-CB 3.99Å; V133-N176 WeakPolarHBondContact CG1-ND2 3.43Å; N134-N176 PolarHBondContact OD1-OD1 2.78Å; N172-N176 WeakPolarHBondContact O-CB 3.49Å; N172-N176 PolarHBondContact O-N 2.77Å; N172-N176 PolarHBondContact O-ND2 3.13Å; V173-N176 PolarHBondContact O-N 3.22Å; N176-Y178 VanDerWaalsContact C-N 3.33Å; N176-I179 PolarHBondContact O-N 3.5Å; N176-A180 VanDerWaalsContact O-CB 3.29Å; N176-A180 WeakPolarHBondContact O-CB 3.5Å; N176-A180 PolarHBondContact O-N 3Å
177	A	78.1	Confident	76.5	Confident	33 Å²	33	79.1 Å²	79.1	27%	0.273	37%	0.373	S	S	.	.	H	α-helix	trans	-60.6	-44.4	174.1	0	0	0	0	0	111.5	L139 V173 M174 A180 E181	L139-A177 HydrophobicContact CD1-CB 3.79Å; L139-A177 HydrophobicContact CD2-CB 4.24Å; L139-A177 HydrophobicContact CG-CB 4.24Å; V173-A177 WeakPolarHBondContact O-CB 3.42Å; V173-A177 PolarHBondContact O-N 2.98Å; M174-A177 PolarHBondContact O-N 3.4Å; A177-A180 PolarHBondContact O-N 3.02Å; A177-E181 WeakPolarHBondContact O-CB 3.48Å; A177-E181 PolarHBondContact O-N 3.37Å
178	Y	71.9	Confident	75	Confident	140 Å²	140	79.4 Å²	79.4	55%	0.549	37%	0.373	S	S	.	.	H	α-helix	trans	-63.8	-42.3	177	-179.9	-106.1	0	0	0	112.6	M174 E175 N176 E181 K182	M174-Y178 WeakPolarHBondContact O-CB 3.19Å; M174-Y178 PolarHBondContact O-N 3.27Å; E175-Y178 PolarHBondContact O-N 3.11Å; N176-Y178 VanDerWaalsContact C-N 3.33Å; Y178-E181 PolarHBondContact O-N 3.44Å; Y178-K182 HydrophobicContact CD1-CD 4.48Å; Y178-K182 HydrophobicContact CE1-CD 3.8Å; Y178-K182 HydrophobicContact CE1-CG 4.44Å; Y178-K182 PolarHBondContact O-N 3.31Å; Y178-K182 WeakPolarHBondContact OH-CE 3.35Å; Y178-K182 PolarHBondContact OH-NZ 2.76Å
179	I	75.6	Confident	73.4	Confident	86 Å²	86	80.4 Å²	80.4	44%	0.441	38%	0.377	S	S	.	.	H	α-helix	trans	-65.9	-43.3	176.3	-69.5	165	0	0	0	111.1	E175 N176 E181 K182 R183	E175-I179 WeakPolarHBondContact O-CB 3.21Å; E175-I179 VanDerWaalsContact O-CG1 3.25Å; E175-I179 WeakPolarHBondContact O-CG1 3.3Å; E175-I179 PolarHBondContact O-N 3.45Å; N176-I179 PolarHBondContact O-N 3.5Å; I179-E181 VanDerWaalsContact C-N 3.3Å; I179-E181 PolarHBondContact O-N 3.12Å; I179-K182 PolarHBondContact O-N 2.88Å; I179-R183 WeakPolarHBondContact O-CB 3.46Å; I179-R183 PolarHBondContact O-N 3.43Å
180	A	73.9	Confident	71.8	Confident	58 Å²	58	83.9 Å²	83.9	48%	0.479	39%	0.394	S	S	.	.	H	α-helix	trans	-60.9	-42.2	177.5	0	0	0	0	0	111	N176 A177 R183 R184	N176-A180 VanDerWaalsContact O-CB 3.29Å; N176-A180 WeakPolarHBondContact O-CB 3.5Å; N176-A180 PolarHBondContact O-N 3Å; A177-A180 PolarHBondContact O-N 3.02Å; A180-R183 PolarHBondContact O-N 3.07Å; A180-R184 WeakPolarHBondContact O-CB 3.48Å; A180-R184 PolarHBondContact O-N 3.17Å
181	E	74.4	Confident	70.2	Confident	85 Å²	85	88.7 Å²	88.7	40%	0.397	42%	0.42	S	S	.	.	H	α-helix	trans	-66.8	-43.2	176.3	-172.9	58.5	-165.3	0	0	111.9	A177 Y178 I179 R183 R184 I185	A177-E181 WeakPolarHBondContact O-CB 3.48Å; A177-E181 PolarHBondContact O-N 3.37Å; Y178-E181 PolarHBondContact O-N 3.44Å; I179-E181 VanDerWaalsContact C-N 3.3Å; I179-E181 PolarHBondContact O-N 3.12Å; E181-R183 VanDerWaalsContact C-N 3.27Å; E181-R183 PolarHBondContact O-N 2.79Å; E181-R184 PolarHBondContact O-N 3.22Å; E181-R184 IonicContact OE1-CZ 2.71Å; E181-R184 IonicContact OE1-NE 3.59Å; E181-R184 PolarHBondContact OE1-NE 3.02Å; E181-R184 IonicContact OE1-NH2 3.89Å; E181-R184 PolarHBondContact OE1-NH2 3.17Å; E181-R184 IonicContact OE2-CZ 3.4Å; E181-R184 IonicContact OE2-NE 3.2Å; E181-R184 PolarHBondContact OE2-NE 3.27Å; E181-R184 IonicContact OE2-NH2 3.18Å; E181-I185 HydrophobicContact CG-CD1 4.16Å; E181-I185 VanDerWaalsContact O-CG1 3.26Å; E181-I185 WeakPolarHBondContact O-CG1 3.46Å; E181-I185 PolarHBondContact O-N 2.89Å
182	K	67.3	Low	68.5	Low	117 Å²	117	90 Å²	90	51%	0.509	43%	0.427	S	S	.	.	H	α-helix	trans	-58.2	-38.7	171.9	-90.8	-168.6	165	173.2	0	112.9	Y178 I179 R186	Y178-K182 HydrophobicContact CD1-CD 4.48Å; Y178-K182 HydrophobicContact CE1-CD 3.8Å; Y178-K182 HydrophobicContact CE1-CG 4.44Å; Y178-K182 PolarHBondContact O-N 3.31Å; Y178-K182 WeakPolarHBondContact OH-CE 3.35Å; Y178-K182 PolarHBondContact OH-NZ 2.76Å; I179-K182 PolarHBondContact O-N 2.88Å; K182-R186 PolarHBondContact O-N 3.02Å; K182-R186 VanDerWaalsContact O-N 3.11Å
183	R	69.8	Low	66.7	Low	150 Å²	150	91.5 Å²	91.5	57%	0.566	44%	0.441	S	S	*	.	H	α-helix	trans	-69	-45	176.8	-174.1	-178.3	-63.2	175.3	-0.1	111.1	I179 A180 E181 I185 R186 E187	I179-R183 WeakPolarHBondContact O-CB 3.46Å; I179-R183 PolarHBondContact O-N 3.43Å; A180-R183 PolarHBondContact O-N 3.07Å; E181-R183 VanDerWaalsContact C-N 3.27Å; E181-R183 PolarHBondContact O-N 2.79Å; R183-I185 VanDerWaalsContact C-N 3.29Å; R183-I185 PolarHBondContact O-N 3.38Å; R183-R186 CarbonylContact O-C 3.58Å; R183-R186 PolarHBondContact O-N 2.97Å; R183-R186 VanDerWaalsContact O-N 3.1Å; R183-E187 WeakPolarHBondContact CD-OE1 3.26Å; R183-E187 HydrophobicContact CG-CG 4.14Å; R183-E187 VanDerWaalsContact CG-OE1 3.27Å; R183-E187 WeakPolarHBondContact CG-OE1 3.37Å; R183-E187 WeakPolarHBondContact O-CB 3.26Å; R183-E187 WeakPolarHBondContact O-CG 3.31Å; R183-E187 PolarHBondContact O-N 3.23Å
184	R	73.4	Confident	64.6	Low	92 Å²	92	98.1 Å²	98.1	35%	0.347	47%	0.472	S	S	.	.	H	α-helix	trans	-56.4	-45.3	175.5	-171.3	-172.2	74.5	81.4	9.1	110.9	A180 E181 R186 E187 E188	A180-R184 WeakPolarHBondContact O-CB 3.48Å; A180-R184 PolarHBondContact O-N 3.17Å; E181-R184 PolarHBondContact O-N 3.22Å; E181-R184 IonicContact OE1-CZ 2.71Å; E181-R184 IonicContact OE1-NE 3.59Å; E181-R184 PolarHBondContact OE1-NE 3.02Å; E181-R184 IonicContact OE1-NH2 3.89Å; E181-R184 PolarHBondContact OE1-NH2 3.17Å; E181-R184 IonicContact OE2-CZ 3.4Å; E181-R184 IonicContact OE2-NE 3.2Å; E181-R184 PolarHBondContact OE2-NE 3.27Å; E181-R184 IonicContact OE2-NH2 3.18Å; R184-R186 VanDerWaalsContact C-N 3.34Å; R184-R186 PolarHBondContact O-N 3.33Å; R184-E187 PolarHBondContact O-N 3.41Å; R184-E188 IonicContact CZ-OE1 3.89Å; R184-E188 IonicContact CZ-OE2 2.66Å; R184-E188 IonicContact NH1-OE1 3.58Å; R184-E188 PolarHBondContact NH1-OE1 3.45Å; R184-E188 IonicContact NH1-OE2 3.43Å; R184-E188 PolarHBondContact NH1-OE2 2.93Å; R184-E188 IonicContact NH2-OE2 3.01Å; R184-E188 VanDerWaalsContact O-CB 3.31Å; R184-E188 WeakPolarHBondContact O-CB 3.49Å; R184-E188 VanDerWaalsContact O-CG 3.26Å; R184-E188 WeakPolarHBondContact O-CG 3.36Å; R184-E188 PolarHBondContact O-N 2.94Å
185	I	64.2	Low	62.9	Low	76 Å²	76	96.9 Å²	96.9	39%	0.39	48%	0.479	S	S	.	.	H	α-helix	trans	-58.7	-45.7	175.6	-68	164	0	0	0	110.7	E181 R183 E188 E189	E181-I185 HydrophobicContact CG-CD1 4.16Å; E181-I185 VanDerWaalsContact O-CG1 3.26Å; E181-I185 WeakPolarHBondContact O-CG1 3.46Å; E181-I185 PolarHBondContact O-N 2.89Å; R183-I185 VanDerWaalsContact C-N 3.29Å; R183-I185 PolarHBondContact O-N 3.38Å; I185-E188 PolarHBondContact O-N 3.01Å; I185-E189 WeakPolarHBondContact O-CG 3.49Å; I185-E189 PolarHBondContact O-N 2.73Å
186	R	64.3	Low	61.4	Low	146 Å²	146	96 Å²	96	55%	0.551	49%	0.489	S	S	*	.	H	α-helix	trans	-69	-41	179.2	-177.6	175.3	171.4	-104.6	-11.3	113.7	K182 R183 R184 E188 E189 E190	K182-R186 PolarHBondContact O-N 3.02Å; K182-R186 VanDerWaalsContact O-N 3.11Å; R183-R186 CarbonylContact O-C 3.58Å; R183-R186 PolarHBondContact O-N 2.97Å; R183-R186 VanDerWaalsContact O-N 3.1Å; R184-R186 VanDerWaalsContact C-N 3.34Å; R184-R186 PolarHBondContact O-N 3.33Å; R186-E188 VanDerWaalsContact C-N 3.33Å; R186-E189 WeakPolarHBondContact O-CB 3.49Å; R186-E189 PolarHBondContact O-N 2.82Å; R186-E190 IonicContact CZ-OE1 3.86Å; R186-E190 IonicContact NE-OE1 3.93Å; R186-E190 IonicContact NH1-OE1 3.26Å; R186-E190 IonicContact NH2-OE1 3.31Å; R186-E190 PolarHBondContact NH2-OE1 2.98Å; R186-E190 PolarHBondContact O-N 3.31Å
187	E	63.9	Low	59.7	Low	98 Å²	98	98.8 Å²	98.8	46%	0.458	51%	0.508	S	S	.	.	H	α-helix	trans	-65.6	-38.8	175.8	-73.7	171.8	-177.8	0	0	110.4	R183 R184 E189 E190 D191	R183-E187 WeakPolarHBondContact CD-OE1 3.26Å; R183-E187 HydrophobicContact CG-CG 4.14Å; R183-E187 VanDerWaalsContact CG-OE1 3.27Å; R183-E187 WeakPolarHBondContact CG-OE1 3.37Å; R183-E187 WeakPolarHBondContact O-CB 3.26Å; R183-E187 WeakPolarHBondContact O-CG 3.31Å; R183-E187 PolarHBondContact O-N 3.23Å; R184-E187 PolarHBondContact O-N 3.41Å; E187-E189 VanDerWaalsContact C-N 3.35Å; E187-E189 PolarHBondContact O-N 2.59Å; E187-E190 PolarHBondContact O-N 3.41Å; E187-D191 WeakPolarHBondContact O-CB 3.26Å; E187-D191 PolarHBondContact O-N 3.16Å
188	E	53.6	Low	57.9	Low	77 Å²	77	105.5 Å²	105.5	36%	0.36	53%	0.534	S	S	.	.	H	α-helix	trans	-65.4	-35.8	172.9	-74.5	175.3	-176.5	0	0	112	R184 I185 R186 L192	R184-E188 IonicContact CZ-OE1 3.89Å; R184-E188 IonicContact CZ-OE2 2.66Å; R184-E188 IonicContact NH1-OE1 3.58Å; R184-E188 PolarHBondContact NH1-OE1 3.45Å; R184-E188 IonicContact NH1-OE2 3.43Å; R184-E188 PolarHBondContact NH1-OE2 2.93Å; R184-E188 IonicContact NH2-OE2 3.01Å; R184-E188 VanDerWaalsContact O-CB 3.31Å; R184-E188 WeakPolarHBondContact O-CB 3.49Å; R184-E188 VanDerWaalsContact O-CG 3.26Å; R184-E188 WeakPolarHBondContact O-CG 3.36Å; R184-E188 PolarHBondContact O-N 2.94Å; I185-E188 PolarHBondContact O-N 3.01Å; R186-E188 VanDerWaalsContact C-N 3.33Å; E188-L192 VanDerWaalsContact O-CB 3.26Å; E188-L192 WeakPolarHBondContact O-CB 3.4Å; E188-L192 VanDerWaalsContact O-CD1 3.27Å; E188-L192 WeakPolarHBondContact O-CD1 3.47Å; E188-L192 WeakPolarHBondContact O-CG 3.35Å; E188-L192 PolarHBondContact O-N 3.46Å
189	E	49.9	Very low	56.6	Low	124 Å²	124	106.8 Å²	106.8	58%	0.579	54%	0.539	S	S	*	.	H	α-helix	trans	-64.3	-40.4	170.3	-76.5	177.3	174.4	0	0	112.8	I185 R186 E187 L192 S193	I185-E189 WeakPolarHBondContact O-CG 3.49Å; I185-E189 PolarHBondContact O-N 2.73Å; R186-E189 WeakPolarHBondContact O-CB 3.49Å; R186-E189 PolarHBondContact O-N 2.82Å; E187-E189 VanDerWaalsContact C-N 3.35Å; E187-E189 PolarHBondContact O-N 2.59Å; E189-L192 PolarHBondContact O-N 2.99Å; E189-S193 PolarHBondContact O-N 3.3Å
190	E	51	Low	55.9	Low	95 Å²	95	106.5 Å²	106.5	44%	0.444	54%	0.541	S	S	.	.	H	α-helix	trans	-68.9	-43.7	177	-75.9	178.5	-176.8	0	0	111.8	R186 E187 L192 S193 E194	R186-E190 IonicContact CZ-OE1 3.86Å; R186-E190 IonicContact NE-OE1 3.93Å; R186-E190 IonicContact NH1-OE1 3.26Å; R186-E190 IonicContact NH2-OE1 3.31Å; R186-E190 PolarHBondContact NH2-OE1 2.98Å; R186-E190 PolarHBondContact O-N 3.31Å; E187-E190 PolarHBondContact O-N 3.41Å; E190-L192 VanDerWaalsContact C-N 3.3Å; E190-L192 PolarHBondContact O-N 2.91Å; E190-S193 CarbonylContact O-C 3.59Å; E190-S193 WeakPolarHBondContact O-CA 3.46Å; E190-S193 WeakPolarHBondContact O-CB 3.49Å; E190-S193 PolarHBondContact O-N 3.46Å; E190-S193 VanDerWaalsContact O-N 3.08Å; E190-E194 PolarHBondContact O-N 3.25Å
191	D	50.6	Low	55.3	Low	104 Å²	104	107 Å²	107	56%	0.556	54%	0.54	S	S	*	.	H	α-helix	trans	-62.6	-36.6	174.2	-77.3	-13.1	0	0	0	111.6	E187 E194 A195	E187-D191 WeakPolarHBondContact O-CB 3.26Å; E187-D191 PolarHBondContact O-N 3.16Å; D191-E194 PolarHBondContact O-N 2.94Å; D191-A195 VanDerWaalsContact O-CB 3.26Å; D191-A195 WeakPolarHBondContact O-CB 3.26Å; D191-A195 PolarHBondContact O-N 3.33Å
192	L	44.9	Very low	54.7	Low	92 Å²	92	106.6 Å²	106.6	48%	0.482	54%	0.54	S	S	.	.	H	α-helix	trans	-67.6	-35.5	173.1	-74.4	166.9	0	0	0	111.8	E188 E189 E190 A196	E188-L192 VanDerWaalsContact O-CB 3.26Å; E188-L192 WeakPolarHBondContact O-CB 3.4Å; E188-L192 VanDerWaalsContact O-CD1 3.27Å; E188-L192 WeakPolarHBondContact O-CD1 3.47Å; E188-L192 WeakPolarHBondContact O-CG 3.35Å; E188-L192 PolarHBondContact O-N 3.46Å; E189-L192 PolarHBondContact O-N 2.99Å; E190-L192 VanDerWaalsContact C-N 3.3Å; E190-L192 PolarHBondContact O-N 2.91Å; L192-A196 WeakPolarHBondContact O-CB 3.46Å; L192-A196 PolarHBondContact O-N 2.98Å; L192-A196 VanDerWaalsContact O-N 3.15Å
193	S	48	Very low	54.8	Low	81 Å²	81	108.4 Å²	108.4	57%	0.566	55%	0.551	S	S	*	*	H	α-helix	trans	-67.9	-38.4	173.3	-173.3	0	0	0	0	111.9	E189 E190 T197	E189-S193 PolarHBondContact O-N 3.3Å; E190-S193 CarbonylContact O-C 3.59Å; E190-S193 WeakPolarHBondContact O-CA 3.46Å; E190-S193 WeakPolarHBondContact O-CB 3.49Å; E190-S193 PolarHBondContact O-N 3.46Å; E190-S193 VanDerWaalsContact O-N 3.08Å; S193-T197 PolarHBondContact O-OG1 3.36Å
194	E	40.1	Very low	54.3	Low	141 Å²	141	104.8 Å²	104.8	66%	0.659	55%	0.545	S	S	*	.	H	α-helix	trans	-69.8	-43.3	174.8	-83.1	-170	167.1	0	0	111.7	E190 D191 A196 T197	E190-E194 PolarHBondContact O-N 3.25Å; D191-E194 PolarHBondContact O-N 2.94Å; E194-A196 PolarHBondContact O-N 3.47Å; E194-T197 PolarHBondContact O-N 3.39Å; E194-T197 PolarHBondContact O-OG1 3.4Å
195	A	45.9	Very low	54	Low	82 Å²	82	105.5 Å²	105.5	68%	0.678	55%	0.548	S	S	*	.	H	α-helix	trans	-64.4	-25.4	179.3	0	0	0	0	0	113.6	D191 T197	D191-A195 VanDerWaalsContact O-CB 3.26Å; D191-A195 WeakPolarHBondContact O-CB 3.26Å; D191-A195 PolarHBondContact O-N 3.33Å; A195-T197 PolarHBondContact O-N 3.44Å
196	A	46.9	Very low	54	Low	86 Å²	86	106.8 Å²	106.8	71%	0.711	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-16.7	174.7	0	0	0	0	0	113.4	L192 E194	L192-A196 WeakPolarHBondContact O-CB 3.46Å; L192-A196 PolarHBondContact O-N 2.98Å; L192-A196 VanDerWaalsContact O-N 3.15Å; E194-A196 PolarHBondContact O-N 3.47Å
197	T	45.9	Very low	54.1	Low	111 Å²	111	105.6 Å²	105.6	68%	0.681	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.5	-9.1	-168.9	19.1	0	0	0	0	118.1	S193 E194 A195	S193-T197 PolarHBondContact O-OG1 3.36Å; E194-T197 PolarHBondContact O-N 3.39Å; E194-T197 PolarHBondContact O-OG1 3.4Å; A195-T197 PolarHBondContact O-N 3.44Å
198	E	40.1	Very low	54	Low	175 Å²	175	104.5 Å²	104.5	82%	0.818	55%	0.548	S	S	*	.	S	Bend	trans	-124.4	108.4	-176.1	-73.2	-164.4	154.2	0	0	115.6
199	Y	45.6	Very low	54.3	Low	166 Å²	166	103 Å²	103	65%	0.651	55%	0.549	S	S	*	.			trans	44.3	102.7	146.9	-171	-102.3	0	0	0	118.5	P201 D202	Y199-P201 WeakPolarHBondContact O-CD 3.42Å; Y199-D202 PolarHBondContact OH-OD1 3.24Å
200	V	60	Low	54.8	Low	80 Å²	80	101.2 Å²	101.2	49%	0.485	55%	0.55	S	S	.	*			trans	-70.4	121.7	165.9	179.8	0	0	0	0	110	V204 R205	V200-V204 HydrophobicContact CG1-CB 4.02Å; V200-V204 HydrophobicContact CG1-CG1 4.12Å; V200-R205 PolarHBondContact O-NH2 2.92Å
201	P	61	Low	55.1	Low	69 Å²	69	100 Å²	100	45%	0.448	55%	0.549	S	S	.	.			trans	-56	139.9	177.4	-25.8	34.3	0	0	0	112.7	Y199 E203 V204 R205	Y199-P201 WeakPolarHBondContact O-CD 3.42Å; P201-E203 PolarHBondContact O-N 2.86Å; P201-V204 PolarHBondContact O-N 2.79Å; P201-R205 PolarHBondContact O-N 3.33Å
202	D	63.2	Low	55.1	Low	76 Å²	76	102.7 Å²	102.7	41%	0.406	56%	0.556	S	S	.	*	H	α-helix	trans	-53.8	-33.3	-176.3	-67.2	-18.2	0	0	0	112.9	Y199 V204 R205 N206	Y199-D202 PolarHBondContact OH-OD1 3.24Å; D202-V204 PolarHBondContact O-N 3.1Å; D202-R205 PolarHBondContact O-N 3.27Å; D202-R205 IonicContact OD1-CZ 3.12Å; D202-R205 IonicContact OD1-NH1 3.12Å; D202-R205 PolarHBondContact OD1-NH1 2.89Å; D202-R205 IonicContact OD1-NH2 3.85Å; D202-R205 PolarHBondContact OD1-NH2 3.47Å; D202-N206 VanDerWaalsContact O-CB 3.27Å; D202-N206 WeakPolarHBondContact O-CB 3.41Å; D202-N206 PolarHBondContact O-N 3.43Å; D202-N206 PolarHBondContact O-ND2 3.45Å; D202-N206 VanDerWaalsContact O-ND2 3.14Å
203	E	68.6	Low	55	Low	156 Å²	156	102.2 Å²	102.2	73%	0.729	56%	0.557	S	S	*	*	H	α-helix	trans	-60.9	-42.4	177.9	-62.9	-179.9	169.7	0	0	112.8	P201 W207	P201-E203 PolarHBondContact O-N 2.86Å; E203-W207 WeakPolarHBondContact O-CB 3.39Å; E203-W207 PolarHBondContact O-N 3.11Å; E203-W207 VanDerWaalsContact O-N 3.07Å
204	V	58.7	Low	54.8	Low	73 Å²	73	110.7 Å²	110.7	44%	0.442	58%	0.577	S	S	.	*	H	α-helix	trans	-71.4	-41.6	179.5	179.8	0	0	0	0	109.9	V200 P201 D202 W207 L208	V200-V204 HydrophobicContact CG1-CB 4.02Å; V200-V204 HydrophobicContact CG1-CG1 4.12Å; P201-V204 PolarHBondContact O-N 2.79Å; D202-V204 PolarHBondContact O-N 3.1Å; V204-W207 PolarHBondContact O-N 3.42Å; V204-L208 HydrophobicContact CG1-CD1 4.36Å; V204-L208 WeakPolarHBondContact O-CG 3.25Å; V204-L208 PolarHBondContact O-N 2.97Å
205	R	67.6	Low	54.8	Low	107 Å²	107	109.2 Å²	109.2	40%	0.404	58%	0.578	S	S	.	*	H	α-helix	trans	-62.7	-44.7	177.3	-159.2	-173.1	-43.7	112.9	9.2	112	V200 P201 D202 L208 A209	V200-R205 PolarHBondContact O-NH2 2.92Å; P201-R205 PolarHBondContact O-N 3.33Å; D202-R205 PolarHBondContact O-N 3.27Å; D202-R205 IonicContact OD1-CZ 3.12Å; D202-R205 IonicContact OD1-NH1 3.12Å; D202-R205 PolarHBondContact OD1-NH1 2.89Å; D202-R205 IonicContact OD1-NH2 3.85Å; D202-R205 PolarHBondContact OD1-NH2 3.47Å; R205-L208 PolarHBondContact O-N 3.48Å; R205-A209 WeakPolarHBondContact O-CB 3.49Å; R205-A209 PolarHBondContact O-N 2.9Å
206	N	63.4	Low	54.5	Low	104 Å²	104	111.3 Å²	111.3	56%	0.556	58%	0.582	S	S	*	*	H	α-helix	trans	-66.3	-37.4	178.3	-71	-23.9	0	0	0	111.8	D202 A209 S210	D202-N206 VanDerWaalsContact O-CB 3.27Å; D202-N206 WeakPolarHBondContact O-CB 3.41Å; D202-N206 PolarHBondContact O-N 3.43Å; D202-N206 PolarHBondContact O-ND2 3.45Å; D202-N206 VanDerWaalsContact O-ND2 3.14Å; N206-A209 PolarHBondContact O-N 3.08Å; N206-S210 WeakPolarHBondContact O-CB 3.47Å; N206-S210 PolarHBondContact O-N 2.98Å
207	W	68.2	Low	53.9	Low	120 Å²	120	116 Å²	116	46%	0.455	59%	0.589	S	S	.	*	H	α-helix	trans	-64.2	-46.6	174.3	179.4	79.7	0	0	0	112.2	E203 V204 A209 S210 T211	E203-W207 WeakPolarHBondContact O-CB 3.39Å; E203-W207 PolarHBondContact O-N 3.11Å; E203-W207 VanDerWaalsContact O-N 3.07Å; V204-W207 PolarHBondContact O-N 3.42Å; W207-A209 VanDerWaalsContact C-N 3.35Å; W207-A209 PolarHBondContact O-N 3.22Å; W207-S210 PolarHBondContact O-N 3.29Å; W207-S210 PolarHBondContact O-OG 3.42Å; W207-T211 PolarHBondContact O-N 3.03Å; W207-T211 PolarHBondContact O-OG1 3.04Å
208	L	60.4	Low	53.4	Low	75 Å²	75	115.6 Å²	115.6	39%	0.393	59%	0.591	S	S	.	*	H	α-helix	trans	-57.8	-46.9	175.4	-73.7	169.8	0	0	0	111.4	V204 R205 S210 T211 F212	V204-L208 HydrophobicContact CG1-CD1 4.36Å; V204-L208 WeakPolarHBondContact O-CG 3.25Å; V204-L208 PolarHBondContact O-N 2.97Å; R205-L208 PolarHBondContact O-N 3.48Å; L208-S210 PolarHBondContact O-N 2.89Å; L208-T211 PolarHBondContact O-N 2.97Å; L208-F212 HydrophobicContact CD2-CD2 4.42Å; L208-F212 HydrophobicContact CD2-CE2 4.07Å; L208-F212 WeakPolarHBondContact O-CD2 3.41Å; L208-F212 PolarHBondContact O-N 2.84Å; L208-F212 VanDerWaalsContact O-N 3.13Å
209	A	61	Low	53.3	Low	47 Å²	47	114 Å²	114	39%	0.388	59%	0.592	S	S	.	*	H	α-helix	trans	-58.4	-46	176.4	0	0	0	0	0	111.7	R205 N206 W207 T211 T213	R205-A209 WeakPolarHBondContact O-CB 3.49Å; R205-A209 PolarHBondContact O-N 2.9Å; N206-A209 PolarHBondContact O-N 3.08Å; W207-A209 VanDerWaalsContact C-N 3.35Å; W207-A209 PolarHBondContact O-N 3.22Å; A209-T211 VanDerWaalsContact C-N 3.27Å; A209-T211 PolarHBondContact O-N 3.36Å; A209-T213 PolarHBondContact O-N 2.97Å; A209-T213 PolarHBondContact O-OG1 3.49Å
210	S	59.3	Low	53.3	Low	86 Å²	86	110 Å²	110	60%	0.601	60%	0.603	S	S	*	*	H	α-helix	trans	-65	-28.1	179.6	74.9	0	0	0	0	114.1	N206 W207 L208	N206-S210 WeakPolarHBondContact O-CB 3.47Å; N206-S210 PolarHBondContact O-N 2.98Å; W207-S210 PolarHBondContact O-N 3.29Å; W207-S210 PolarHBondContact O-OG 3.42Å; L208-S210 PolarHBondContact O-N 2.89Å
211	T	58.2	Low	52.3	Low	69 Å²	69	114.2 Å²	114.2	42%	0.423	62%	0.62	S	S	.	*	H	α-helix	trans	-83.4	-41.4	-175.6	-57.2	0	0	0	0	111.9	W207 L208 A209	W207-T211 PolarHBondContact O-N 3.03Å; W207-T211 PolarHBondContact O-OG1 3.04Å; L208-T211 PolarHBondContact O-N 2.97Å; A209-T211 VanDerWaalsContact C-N 3.27Å; A209-T211 PolarHBondContact O-N 3.36Å
212	F	49.3	Very low	51.5	Low	161 Å²	161	113.8 Å²	113.8	71%	0.706	63%	0.628	S	S	*	*	H	α-helix	trans	-104.7	-20.6	-170.9	-66	-75.4	0	0	0	114.5	L208	L208-F212 HydrophobicContact CD2-CD2 4.42Å; L208-F212 HydrophobicContact CD2-CE2 4.07Å; L208-F212 WeakPolarHBondContact O-CD2 3.41Å; L208-F212 PolarHBondContact O-N 2.84Å; L208-F212 VanDerWaalsContact O-N 3.13Å
213	T	44.4	Very low	50.6	Low	82 Å²	82	118 Å²	118	50%	0.503	65%	0.651	S	S	.	*			trans	-107.2	97.8	176.2	56.6	0	0	0	0	110.3	A209 T215	A209-T213 PolarHBondContact O-N 2.97Å; A209-T213 PolarHBondContact O-OG1 3.49Å; T213-T215 PolarHBondContact O-N 3.26Å
214	R	43.9	Very low	49.7	Very low	258 Å²	258	118.7 Å²	118.7	97%	0.974	65%	0.654	S	S	*	*			trans	-75.8	19	177.7	-118.6	-172.8	-171.5	-164.5	4	114.1
215	T	38.7	Very low	49.3	Very low	111 Å²	111	123.8 Å²	123.8	68%	0.681	67%	0.67	S	S	*	*			trans	-119.3	95.5	-178.9	45.8	0	0	0	0	108.6	T213	T213-T215 PolarHBondContact O-N 3.26Å
216	V	39.3	Very low	48.5	Very low	126 Å²	126	123.3 Å²	123.3	76%	0.764	68%	0.681	S	S	*	*				179.7	106.1	115.3	172.1	0	0	0	0	106.5
217	Q	36	Very low	48.3	Very low	183 Å²	183	127.7 Å²	127.7	86%	0.855	69%	0.69	S	S	*	*			trans	-62.3	135.1	154.7	-73.5	173.1	-24.8	0	0	108.1
218	S	35.5	Very low	47.4	Very low	103 Å²	103	130.6 Å²	130.6	72%	0.72	71%	0.706	S	S	*	*			trans	79.3	92.3	165.6	-47.6	0	0	0	0	116.7
219	V	37.3	Very low	47.2	Very low	141 Å²	141	136.8 Å²	136.8	86%	0.855	72%	0.724	S	S	*	*				-155.2	128.8	110.7	-178.6	0	0	0	0	107.3	I221	V219-I221 PolarHBondContact O-N 3.15Å
220	G	44.9	Very low	47.2	Very low	84 Å²	84	137.1 Å²	137.1	87%	0.866	72%	0.724	S	S	*	*			trans	-64.1	94.3	-171.4	0	0	0	0	0	115.3
221	I	40.6	Very low	47.1	Very low	167 Å²	167	135.9 Å²	135.9	86%	0.856	71%	0.713	S	S	*	*			trans	-97.6	124.7	156.3	-62.8	177.4	0	0	0	107	V219	V219-I221 PolarHBondContact O-N 3.15Å
222	G	44.1	Very low	47.1	Very low	60 Å²	60	134 Å²	134	62%	0.619	70%	0.703	S	S	*	*			trans	-51.3	155.3	-161.4	0	0	0	0	0	116.4	Q224	G222-Q224 PolarHBondContact O-N 2.9Å
223	D	44.4	Very low	47.7	Very low	165 Å²	165	130.5 Å²	130.5	88%	0.882	69%	0.692	S	S	*	*			trans	-56.8	44.6	-176.5	-145.3	8.6	0	0	0	115.5	K225	D223-K225 PolarHBondContact O-N 3.43Å; D223-K225 VanDerWaalsContact O-N 3.16Å
224	Q	48.1	Very low	48.6	Very low	171 Å²	171	128.2 Å²	128.2	80%	0.799	68%	0.682	S	S	*	*			trans	-86.3	88.5	176.6	-65.5	-155.9	33.9	0	0	109.5	G222	G222-Q224 PolarHBondContact O-N 2.9Å
225	K	50.2	Low	49.7	Very low	179 Å²	179	120.7 Å²	120.7	78%	0.778	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-46.3	127.5	163.9	-73.9	179.8	177.7	176.5	0	109.1	D223 R227	D223-K225 PolarHBondContact O-N 3.43Å; D223-K225 VanDerWaalsContact O-N 3.16Å; K225-R227 PolarHBondContact O-N 2.91Å
226	P	52.1	Low	50.6	Low	97 Å²	97	123.2 Å²	123.2	63%	0.63	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-58.3	124.4	-175.8	19.7	-29.5	0	0	0	109.9	F228 V231	P226-F228 PolarHBondContact O-N 2.92Å; P226-V231 HydrophobicContact CB-CG2 4.36Å
227	R	58.8	Low	51.7	Low	197 Å²	197	119.7 Å²	119.7	74%	0.743	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-63.9	136.8	-179	-71.2	-169.7	-176.5	-153	2.8	109	K225 R229 S230 V231	K225-R227 PolarHBondContact O-N 2.91Å; R227-R229 PolarHBondContact O-N 3.45Å; R227-S230 PolarHBondContact O-N 2.93Å; R227-S230 PolarHBondContact O-OG 3.38Å; R227-V231 PolarHBondContact O-N 3.41Å
228	F	48.3	Very low	53	Low	181 Å²	181	112.9 Å²	112.9	79%	0.794	62%	0.62	S	S	*	*	H	α-helix	trans	-46	-32.4	179.1	-174.1	-101.3	0	0	0	114.4	P226 V231 A232	P226-F228 PolarHBondContact O-N 2.92Å; F228-V231 PolarHBondContact O-N 3.46Å; F228-A232 WeakPolarHBondContact O-CB 3.3Å; F228-A232 PolarHBondContact O-N 3.15Å
229	R	57	Low	54.3	Low	205 Å²	205	111.7 Å²	111.7	77%	0.774	60%	0.604	S	S	*	*	H	α-helix	trans	-64.9	-37.4	174.4	-73.2	-174.8	178.5	147.4	0.6	114.2	R227 A232 N233	R227-R229 PolarHBondContact O-N 3.45Å; R229-A232 PolarHBondContact O-N 3.04Å; R229-N233 WeakPolarHBondContact O-CB 3.48Å; R229-N233 PolarHBondContact O-N 2.84Å; R229-N233 PolarHBondContact O-OD1 3.39Å
230	S	61.6	Low	55.3	Low	54 Å²	54	111.2 Å²	111.2	38%	0.378	59%	0.591	S	S	.	*	H	α-helix	trans	-70.3	-38.6	177.4	65.6	0	0	0	0	111.1	R227 N233 A234	R227-S230 PolarHBondContact O-N 2.93Å; R227-S230 PolarHBondContact O-OG 3.38Å; S230-N233 PolarHBondContact O-N 2.99Å; S230-A234 WeakPolarHBondContact O-CB 3.27Å; S230-A234 PolarHBondContact O-N 3.24Å
231	V	57.3	Low	55.9	Low	60 Å²	60	111.4 Å²	111.4	36%	0.364	58%	0.575	S	S	.	*	H	α-helix	trans	-62.9	-46.4	173.2	-178.7	0	0	0	0	110.8	P226 R227 F228 N233 A234 I235	P226-V231 HydrophobicContact CB-CG2 4.36Å; R227-V231 PolarHBondContact O-N 3.41Å; F228-V231 PolarHBondContact O-N 3.46Å; V231-N233 VanDerWaalsContact C-N 3.31Å; V231-N233 PolarHBondContact O-N 2.87Å; V231-A234 PolarHBondContact O-N 2.88Å; V231-I235 HydrophobicContact CG1-CD1 3.85Å; V231-I235 HydrophobicContact CG1-CG1 4.42Å; V231-I235 VanDerWaalsContact O-CG1 3.31Å; V231-I235 WeakPolarHBondContact O-CG1 3.28Å; V231-I235 PolarHBondContact O-N 2.95Å
232	A	56.8	Low	56.7	Low	28 Å²	28	108.2 Å²	108.2	23%	0.231	56%	0.557	C	S	.	*	H	α-helix	trans	-63.9	-34.8	177.7	0	0	0	0	0	112.9	F228 R229 R236	F228-A232 WeakPolarHBondContact O-CB 3.3Å; F228-A232 PolarHBondContact O-N 3.15Å; R229-A232 PolarHBondContact O-N 3.04Å; A232-R236 WeakPolarHBondContact O-CB 3.3Å; A232-R236 PolarHBondContact O-N 3.11Å
233	N	62.1	Low	57.3	Low	88 Å²	88	113.5 Å²	113.5	47%	0.471	56%	0.558	S	S	.	*	H	α-helix	trans	-73.1	-38.1	175	-71.5	-4.8	0	0	0	111.7	R229 S230 V231 R236 A237	R229-N233 WeakPolarHBondContact O-CB 3.48Å; R229-N233 PolarHBondContact O-N 2.84Å; R229-N233 PolarHBondContact O-OD1 3.39Å; S230-N233 PolarHBondContact O-N 2.99Å; V231-N233 VanDerWaalsContact C-N 3.31Å; V231-N233 PolarHBondContact O-N 2.87Å; N233-R236 PolarHBondContact O-N 3.12Å; N233-R236 PolarHBondContact OD1-NH2 2.89Å; N233-A237 VanDerWaalsContact O-CB 3.22Å; N233-A237 WeakPolarHBondContact O-CB 3.39Å; N233-A237 PolarHBondContact O-N 2.91Å
234	A	63.7	Low	57.5	Low	34 Å²	34	108.1 Å²	108.1	28%	0.281	53%	0.529	S	S	.	.	H	α-helix	trans	-66.5	-40.7	174.9	0	0	0	0	0	112	S230 V231 A237 G238	S230-A234 WeakPolarHBondContact O-CB 3.27Å; S230-A234 PolarHBondContact O-N 3.24Å; V231-A234 PolarHBondContact O-N 2.88Å; A234-A237 PolarHBondContact O-N 2.87Å; A234-G238 PolarHBondContact O-N 2.67Å
235	I	66.4	Low	57.6	Low	100 Å²	100	107.3 Å²	107.3	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-64.3	-45.3	173.5	-67.7	168.5	0	0	0	110.2	V231 G238 I239	V231-I235 HydrophobicContact CG1-CD1 3.85Å; V231-I235 HydrophobicContact CG1-CG1 4.42Å; V231-I235 VanDerWaalsContact O-CG1 3.31Å; V231-I235 WeakPolarHBondContact O-CG1 3.28Å; V231-I235 PolarHBondContact O-N 2.95Å; I235-G238 PolarHBondContact O-N 2.79Å; I235-I239 HydrophobicContact CG2-CD1 3.72Å; I235-I239 HydrophobicContact CG2-CG1 4.37Å; I235-I239 WeakPolarHBondContact O-CB 3.49Å; I235-I239 VanDerWaalsContact O-CG1 3.28Å; I235-I239 WeakPolarHBondContact O-CG1 3.35Å; I235-I239 PolarHBondContact O-N 2.85Å
236	R	58.7	Low	57.6	Low	165 Å²	165	106 Å²	106	62%	0.623	51%	0.51	S	S	*	.	H	α-helix	trans	-62.7	-42.8	175.9	-87.3	-173.1	-77.4	170.8	-2.5	112.3	A232 N233 I239 F240	A232-R236 WeakPolarHBondContact O-CB 3.3Å; A232-R236 PolarHBondContact O-N 3.11Å; N233-R236 PolarHBondContact O-N 3.12Å; N233-R236 PolarHBondContact OD1-NH2 2.89Å; R236-I239 PolarHBondContact O-N 2.66Å; R236-F240 WeakPolarHBondContact O-CB 3.27Å; R236-F240 PolarHBondContact O-N 3.05Å
237	A	61.8	Low	57.2	Low	51 Å²	51	109.4 Å²	109.4	42%	0.421	51%	0.51	S	S	.	.	H	α-helix	trans	-63.8	-41.4	175.3	0	0	0	0	0	111	N233 A234 F240 V241	N233-A237 VanDerWaalsContact O-CB 3.22Å; N233-A237 WeakPolarHBondContact O-CB 3.39Å; N233-A237 PolarHBondContact O-N 2.91Å; A234-A237 PolarHBondContact O-N 2.87Å; A237-F240 PolarHBondContact O-N 2.87Å; A237-V241 VanDerWaalsContact O-CB 3.3Å; A237-V241 WeakPolarHBondContact O-CB 3.39Å; A237-V241 WeakPolarHBondContact O-CG2 3.03Å; A237-V241 PolarHBondContact O-N 2.93Å
238	G	63.7	Low	56.3	Low	40 Å²	40	105.3 Å²	105.3	41%	0.412	50%	0.501	S	S	.	.	H	α-helix	trans	-61.9	-48.5	174.8	0	0	0	0	0	112.3	A234 I235 F240 V241 E242	A234-G238 PolarHBondContact O-N 2.67Å; I235-G238 PolarHBondContact O-N 2.79Å; G238-F240 VanDerWaalsContact C-N 3.3Å; G238-F240 PolarHBondContact O-N 2.69Å; G238-V241 PolarHBondContact O-N 3.4Å; G238-E242 WeakPolarHBondContact O-CB 3.18Å; G238-E242 PolarHBondContact O-N 2.94Å
239	I	62.1	Low	56.3	Low	78 Å²	78	98 Å²	98	40%	0.4	47%	0.472	S	S	.	.	H	α-helix	trans	-62.9	-38.5	175.5	-67	167.5	0	0	0	110.9	I235 R236 R243	I235-I239 HydrophobicContact CG2-CD1 3.72Å; I235-I239 HydrophobicContact CG2-CG1 4.37Å; I235-I239 WeakPolarHBondContact O-CB 3.49Å; I235-I239 VanDerWaalsContact O-CG1 3.28Å; I235-I239 WeakPolarHBondContact O-CG1 3.35Å; I235-I239 PolarHBondContact O-N 2.85Å; R236-I239 PolarHBondContact O-N 2.66Å; I239-R243 WeakPolarHBondContact O-CB 3.38Å; I239-R243 PolarHBondContact O-N 2.93Å
240	F	57.8	Low	55.9	Low	131 Å²	131	91.2 Å²	91.2	58%	0.575	46%	0.456	S	S	*	.	H	α-helix	trans	-69.7	-46.2	179.4	-176	-107.9	0	0	0	111.7	R236 A237 G238 R243 I244	R236-F240 WeakPolarHBondContact O-CB 3.27Å; R236-F240 PolarHBondContact O-N 3.05Å; A237-F240 PolarHBondContact O-N 2.87Å; G238-F240 VanDerWaalsContact C-N 3.3Å; G238-F240 PolarHBondContact O-N 2.69Å; F240-R243 PolarHBondContact O-N 2.87Å; F240-I244 HydrophobicContact CD1-CD1 3.56Å; F240-I244 HydrophobicContact CE1-CD1 3.19Å; F240-I244 HydrophobicContact CE1-CG1 4.34Å; F240-I244 HydrophobicContact CE2-CD1 4.21Å; F240-I244 HydrophobicContact CG-CD1 4.22Å; F240-I244 HydrophobicContact CZ-CD1 3.56Å; F240-I244 HydrophobicContact CZ-CG1 4.41Å; F240-I244 WeakPolarHBondContact O-CB 3.49Å; F240-I244 VanDerWaalsContact O-CG1 3.31Å; F240-I244 WeakPolarHBondContact O-CG1 3.29Å; F240-I244 PolarHBondContact O-N 3.25Å
241	V	58.8	Low	54.9	Low	89 Å²	89	92.9 Å²	92.9	54%	0.539	47%	0.467	S	S	.	.	H	α-helix	trans	-64.7	-38.8	173.7	171.2	0	0	0	0	110.8	A237 G238 R243 I244 Y245	A237-V241 VanDerWaalsContact O-CB 3.3Å; A237-V241 WeakPolarHBondContact O-CB 3.39Å; A237-V241 WeakPolarHBondContact O-CG2 3.03Å; A237-V241 PolarHBondContact O-N 2.93Å; G238-V241 PolarHBondContact O-N 3.4Å; V241-R243 VanDerWaalsContact C-N 3.34Å; V241-I244 CarbonylContact O-C 3.59Å; V241-I244 PolarHBondContact O-N 3.07Å; V241-Y245 WeakPolarHBondContact O-CA 3.39Å; V241-Y245 WeakPolarHBondContact O-CB 3.27Å; V241-Y245 PolarHBondContact O-N 2.73Å
242	E	57.7	Low	54.6	Low	100 Å²	100	91 Å²	91	47%	0.467	46%	0.456	S	S	.	.	H	α-helix	trans	-69.2	-33.9	176.1	-165.2	-166.1	-164.7	0	0	111.4	G238 R246	G238-E242 WeakPolarHBondContact O-CB 3.18Å; G238-E242 PolarHBondContact O-N 2.94Å; E242-R246 VanDerWaalsContact O-CB 3.27Å; E242-R246 WeakPolarHBondContact O-CB 3.43Å; E242-R246 VanDerWaalsContact O-CG 3.3Å; E242-R246 WeakPolarHBondContact O-CG 3.45Å; E242-R246 PolarHBondContact O-N 2.9Å; E242-R246 IonicContact OE1-CZ 3.93Å; E242-R246 IonicContact OE1-NH2 2.59Å; E242-R246 PolarHBondContact OE1-NH2 3.47Å; E242-R246 IonicContact OE2-CZ 2.73Å; E242-R246 IonicContact OE2-NH2 2.82Å; E242-R246 PolarHBondContact OE2-NH2 3.16Å
243	R	55.5	Low	54.6	Low	171 Å²	171	95.8 Å²	95.8	65%	0.645	48%	0.478	S	S	*	.	H	α-helix	trans	-71.5	-40.1	173.4	-166.6	-177.6	-61.6	-172.3	-1.8	111.5	I239 F240 V241 R247	I239-R243 WeakPolarHBondContact O-CB 3.38Å; I239-R243 PolarHBondContact O-N 2.93Å; F240-R243 PolarHBondContact O-N 2.87Å; V241-R243 VanDerWaalsContact C-N 3.34Å; R243-R247 VanDerWaalsContact O-CB 3.28Å; R243-R247 WeakPolarHBondContact O-CB 3.49Å; R243-R247 PolarHBondContact O-N 3.33Å
244	I	49.4	Very low	54.9	Low	51 Å²	51	92.4 Å²	92.4	26%	0.262	46%	0.459	S	S	.	.	H	α-helix	trans	-65.3	-45	172.1	-74	170.8	0	0	0	110.1	F240 V241 R247 M248	F240-I244 HydrophobicContact CD1-CD1 3.56Å; F240-I244 HydrophobicContact CE1-CD1 3.19Å; F240-I244 HydrophobicContact CE1-CG1 4.34Å; F240-I244 HydrophobicContact CE2-CD1 4.21Å; F240-I244 HydrophobicContact CG-CD1 4.22Å; F240-I244 HydrophobicContact CZ-CD1 3.56Å; F240-I244 HydrophobicContact CZ-CG1 4.41Å; F240-I244 WeakPolarHBondContact O-CB 3.49Å; F240-I244 VanDerWaalsContact O-CG1 3.31Å; F240-I244 WeakPolarHBondContact O-CG1 3.29Å; F240-I244 PolarHBondContact O-N 3.25Å; V241-I244 CarbonylContact O-C 3.59Å; V241-I244 PolarHBondContact O-N 3.07Å; I244-R247 CarbonylContact O-C 3.6Å; I244-R247 WeakPolarHBondContact O-CA 3.08Å; I244-R247 WeakPolarHBondContact O-CB 3.39Å; I244-R247 PolarHBondContact O-N 3.47Å; I244-M248 HydrophobicContact CG2-CG 3.92Å; I244-M248 HydrophobicContact CG2-SD 3.49Å; I244-M248 WeakPolarHBondContact CG2-SD 3.28Å; I244-M248 WeakPolarHBondContact O-CB 3.34Å; I244-M248 VanDerWaalsContact O-CG 3.29Å; I244-M248 WeakPolarHBondContact O-CG 3.27Å; I244-M248 PolarHBondContact O-N 3Å
245	Y	49.1	Very low	55.5	Low	155 Å²	155	98 Å²	98	61%	0.608	48%	0.483	S	S	*	.	H	α-helix	trans	-67.3	-42.4	179.9	-166.2	-92.3	0	0	0	110.5	V241 R247 M248 S249	V241-Y245 WeakPolarHBondContact O-CA 3.39Å; V241-Y245 WeakPolarHBondContact O-CB 3.27Å; V241-Y245 PolarHBondContact O-N 2.73Å; Y245-R247 PolarHBondContact O-N 3.02Å; Y245-M248 PolarHBondContact O-N 3.22Å; Y245-S249 VanDerWaalsContact O-CB 3.28Å; Y245-S249 WeakPolarHBondContact O-CB 3.25Å; Y245-S249 PolarHBondContact O-N 2.97Å; Y245-S249 PolarHBondContact O-OG 3.45Å
246	R	50	Low	56.2	Low	151 Å²	151	95.3 Å²	95.3	57%	0.57	47%	0.471	S	S	*	.	H	α-helix	trans	-56.6	-39.8	168.9	-81	-173.2	-116.8	-144.4	1.6	111.7	E242 S249 S250	E242-R246 VanDerWaalsContact O-CB 3.27Å; E242-R246 WeakPolarHBondContact O-CB 3.43Å; E242-R246 VanDerWaalsContact O-CG 3.3Å; E242-R246 WeakPolarHBondContact O-CG 3.45Å; E242-R246 PolarHBondContact O-N 2.9Å; E242-R246 IonicContact OE1-CZ 3.93Å; E242-R246 IonicContact OE1-NH2 2.59Å; E242-R246 PolarHBondContact OE1-NH2 3.47Å; E242-R246 IonicContact OE2-CZ 2.73Å; E242-R246 IonicContact OE2-NH2 2.82Å; E242-R246 PolarHBondContact OE2-NH2 3.16Å; R246-S249 WeakPolarHBondContact CA-OG 3.43Å; R246-S249 PolarHBondContact O-OG 3.07Å; R246-S250 VanDerWaalsContact O-CB 3.27Å; R246-S250 WeakPolarHBondContact O-CB 3.38Å; R246-S250 PolarHBondContact O-N 3.04Å
247	R	44.6	Very low	57.4	Low	168 Å²	168	89.7 Å²	89.7	63%	0.634	46%	0.456	S	S	*	.	H	α-helix	trans	-70.7	-39.6	176.2	-164.7	98.6	99.6	145.7	11.1	112.8	R243 I244 Y245 S250 C251	R243-R247 VanDerWaalsContact O-CB 3.28Å; R243-R247 WeakPolarHBondContact O-CB 3.49Å; R243-R247 PolarHBondContact O-N 3.33Å; I244-R247 CarbonylContact O-C 3.6Å; I244-R247 WeakPolarHBondContact O-CA 3.08Å; I244-R247 WeakPolarHBondContact O-CB 3.39Å; I244-R247 PolarHBondContact O-N 3.47Å; Y245-R247 PolarHBondContact O-N 3.02Å; R247-S250 CarbonylContact O-C 3.41Å; R247-S250 WeakPolarHBondContact O-CA 3.42Å; R247-S250 VanDerWaalsContact O-CB 3.25Å; R247-S250 WeakPolarHBondContact O-CB 3.35Å; R247-S250 PolarHBondContact O-N 3.47Å; R247-S250 VanDerWaalsContact O-N 3.16Å; R247-C251 PolarHBondContact O-N 2.66Å; R247-C251 PolarHBondContact O-SG 3.17Å
248	M	40.8	Very low	58.4	Low	112 Å²	112	92.5 Å²	92.5	55%	0.552	47%	0.47	S	S	*	.	H	α-helix	trans	-75.3	-34.9	179.2	-72.2	178.7	73.2	0	0	111.4	I244 Y245 S250 C251	I244-M248 HydrophobicContact CG2-CG 3.92Å; I244-M248 HydrophobicContact CG2-SD 3.49Å; I244-M248 WeakPolarHBondContact CG2-SD 3.28Å; I244-M248 WeakPolarHBondContact O-CB 3.34Å; I244-M248 VanDerWaalsContact O-CG 3.29Å; I244-M248 WeakPolarHBondContact O-CG 3.27Å; I244-M248 PolarHBondContact O-N 3Å; Y245-M248 PolarHBondContact O-N 3.22Å; M248-S250 PolarHBondContact O-N 2.62Å; M248-C251 CarbonylContact O-C 3.39Å; M248-C251 WeakPolarHBondContact O-CA 3.27Å; M248-C251 WeakPolarHBondContact O-CB 3.37Å; M248-C251 PolarHBondContact O-N 3.45Å
249	S	47.9	Very low	59.4	Low	27 Å²	27	95.8 Å²	95.8	19%	0.189	48%	0.478	C	S	.	.	H	α-helix	trans	-69.1	-22.7	166.9	64.3	0	0	0	0	112.1	Y245 R246 C251 N302	Y245-S249 VanDerWaalsContact O-CB 3.28Å; Y245-S249 WeakPolarHBondContact O-CB 3.25Å; Y245-S249 PolarHBondContact O-N 2.97Å; Y245-S249 PolarHBondContact O-OG 3.45Å; R246-S249 WeakPolarHBondContact CA-OG 3.43Å; R246-S249 PolarHBondContact O-OG 3.07Å; S249-C251 VanDerWaalsContact C-N 3.34Å; S249-N302 WeakPolarHBondContact CB-OD1 3.47Å
250	S	47.6	Very low	60.5	Low	62 Å²	62	92.1 Å²	92.1	43%	0.434	46%	0.459	S	S	.	.	S	Bend	trans	-79.8	-15.6	167.7	175.8	0	0	0	0	112.4	R246 R247 M248 S252	R246-S250 VanDerWaalsContact O-CB 3.27Å; R246-S250 WeakPolarHBondContact O-CB 3.38Å; R246-S250 PolarHBondContact O-N 3.04Å; R247-S250 CarbonylContact O-C 3.41Å; R247-S250 WeakPolarHBondContact O-CA 3.42Å; R247-S250 VanDerWaalsContact O-CB 3.25Å; R247-S250 WeakPolarHBondContact O-CB 3.35Å; R247-S250 PolarHBondContact O-N 3.47Å; R247-S250 VanDerWaalsContact O-N 3.16Å; M248-S250 PolarHBondContact O-N 2.62Å; S250-S252 PolarHBondContact O-N 2.85Å; S250-S252 PolarHBondContact O-OG 2.95Å
251	C	41	Very low	61.9	Low	90 Å²	90	89.2 Å²	89.2	61%	0.608	45%	0.45	S	S	*	.			trans	-85.8	49.9	164.1	-62.4	0	0	0	0	109.8	R247 M248 S249 N253	R247-C251 PolarHBondContact O-N 2.66Å; R247-C251 PolarHBondContact O-SG 3.17Å; M248-C251 CarbonylContact O-C 3.39Å; M248-C251 WeakPolarHBondContact O-CA 3.27Å; M248-C251 WeakPolarHBondContact O-CB 3.37Å; M248-C251 PolarHBondContact O-N 3.45Å; S249-C251 VanDerWaalsContact C-N 3.34Å; C251-N253 PolarHBondContact O-N 2.91Å
252	S	51.8	Low	63.2	Low	21 Å²	21	90.1 Å²	90.1	15%	0.147	45%	0.451	C	S	.	.			trans	-49.3	133.5	146.3	43	0	0	0	0	108.2	S250 L254 F292	S250-S252 PolarHBondContact O-N 2.85Å; S250-S252 PolarHBondContact O-OG 2.95Å; S252-L254 PolarHBondContact O-N 3.31Å; S252-F292 VanDerWaalsContact OG-CE1 3.24Å; S252-F292 WeakPolarHBondContact OG-CE1 3.44Å; S252-F292 WeakPolarHBondContact OG-CZ 3.47Å
253	N	56.4	Low	64.8	Low	127 Å²	127	88 Å²	88	68%	0.679	44%	0.44	S	S	*	.	S	Bend	trans	-55.8	-4.5	-179.6	-65.9	-39.9	0	0	0	114.6	C251 I255	C251-N253 PolarHBondContact O-N 2.91Å; N253-I255 PolarHBondContact O-N 2.96Å; N253-I255 VanDerWaalsContact O-N 3.09Å
254	L	68.1	Low	66.4	Low	17 Å²	17	80.2 Å²	80.2	9%	0.089	41%	0.411	C	S	.	.			trans	-70	100.3	176.9	-167.6	71.5	0	0	0	111.1	S252 V256 K288 F289 F292	S252-L254 PolarHBondContact O-N 3.31Å; L254-V256 HydrophobicContact CD2-CG2 4.35Å; L254-V256 HydrophobicContact CG-CG2 4.43Å; L254-V256 PolarHBondContact O-N 3.34Å; L254-K288 HydrophobicContact CD1-CD 4.15Å; L254-F289 HydrophobicContact CD1-CE1 4.15Å; L254-F289 HydrophobicContact CD2-CD1 3.97Å; L254-F289 HydrophobicContact CD2-CE1 4Å; L254-F289 HydrophobicContact CG-CE1 4.07Å; L254-F292 HydrophobicContact CD2-CB 3.75Å; L254-F292 HydrophobicContact CD2-CD1 3.69Å; L254-F292 HydrophobicContact CD2-CD2 3.83Å; L254-F292 HydrophobicContact CD2-CE1 4.32Å; L254-F292 HydrophobicContact CD2-CE2 4.43Å; L254-F292 HydrophobicContact CD2-CG 3.44Å; L254-F292 VanDerWaalsContact CD2-CG 3.44Å
255	I	76.4	Confident	68.3	Low	151 Å²	151	84.1 Å²	84.1	77%	0.774	43%	0.426	S	S	*	.			trans	-70.1	109.8	166.9	-60.9	172	0	0	0	107.6	N253 P257	N253-I255 PolarHBondContact O-N 2.96Å; N253-I255 VanDerWaalsContact O-N 3.09Å; I255-P257 WeakPolarHBondContact O-CD 3.47Å
256	V	81.7	Confident	70.2	Confident	44 Å²	44	81.3 Å²	81.3	27%	0.267	43%	0.426	S	S	.	.			trans	-86.8	118	173.8	-173.7	0	0	0	0	109	L254 V260 L261 L264 F289	L254-V256 HydrophobicContact CD2-CG2 4.35Å; L254-V256 HydrophobicContact CG-CG2 4.43Å; L254-V256 PolarHBondContact O-N 3.34Å; V256-V260 HydrophobicContact CG1-CB 4.01Å; V256-V260 HydrophobicContact CG1-CG1 3.77Å; V256-L261 HydrophobicContact CG1-CB 3.94Å; V256-L264 HydrophobicContact CG1-CD1 4.25Å; V256-F289 HydrophobicContact CB-CE1 4.39Å; V256-F289 HydrophobicContact CG1-CD1 4.28Å; V256-F289 HydrophobicContact CG1-CE1 4.25Å; V256-F289 HydrophobicContact CG2-CD1 4.29Å; V256-F289 HydrophobicContact CG2-CE1 4.15Å
257	P	82.7	Confident	72.1	Confident	48 Å²	48	74.6 Å²	74.6	31%	0.312	40%	0.403	S	S	.	.			trans	-58.5	145	175.9	-23.6	33.6	0	0	0	111.6	I255 N259 V260 L261 F289	I255-P257 WeakPolarHBondContact O-CD 3.47Å; P257-N259 VanDerWaalsContact C-N 3.29Å; P257-N259 PolarHBondContact O-N 2.91Å; P257-V260 HydrophobicContact CB-CB 4.31Å; P257-V260 HydrophobicContact CB-CG2 3.97Å; P257-V260 HydrophobicContact CG-CB 4.49Å; P257-V260 HydrophobicContact CG-CG2 3.99Å; P257-V260 WeakPolarHBondContact O-CB 3.42Å; P257-V260 PolarHBondContact O-N 3.24Å; P257-L261 PolarHBondContact O-N 2.75Å; P257-F289 HydrophobicContact CG-CZ 4.44Å
258	P	83.9	Confident	74.5	Confident	109 Å²	109	66.7 Å²	66.7	71%	0.708	37%	0.373	S	S	*	.	H	α-helix	trans	-55.6	-38	-176.2	-28.4	35.2	0	0	0	114.8	L261 L262	P258-L261 PolarHBondContact O-N 3.33Å; P258-L262 PolarHBondContact O-N 3.27Å
259	N	83.8	Confident	77.2	Confident	110 Å²	110	64.3 Å²	64.3	59%	0.588	36%	0.363	S	S	*	.	H	α-helix	trans	-67.9	-41.1	177.9	-67.1	-16.7	0	0	0	111.6	P257 L262 F263 A281	P257-N259 VanDerWaalsContact C-N 3.29Å; P257-N259 PolarHBondContact O-N 2.91Å; N259-L262 WeakPolarHBondContact O-CB 3.4Å; N259-L262 PolarHBondContact O-N 3.02Å; N259-F263 WeakPolarHBondContact O-CD2 3.29Å; N259-F263 PolarHBondContact O-N 3.19Å; N259-A281 HydrophobicContact CB-CB 4.37Å
260	V	85.1	Confident	79.5	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-62	-45.2	174.4	176.7	0	0	0	0	110.3	V256 P257 L262 F263 L264 L278 A281 F289	V256-V260 HydrophobicContact CG1-CB 4.01Å; V256-V260 HydrophobicContact CG1-CG1 3.77Å; P257-V260 HydrophobicContact CB-CB 4.31Å; P257-V260 HydrophobicContact CB-CG2 3.97Å; P257-V260 HydrophobicContact CG-CB 4.49Å; P257-V260 HydrophobicContact CG-CG2 3.99Å; P257-V260 WeakPolarHBondContact O-CB 3.42Å; P257-V260 PolarHBondContact O-N 3.24Å; V260-L262 VanDerWaalsContact C-N 3.26Å; V260-L262 PolarHBondContact O-N 2.92Å; V260-F263 PolarHBondContact O-N 3.18Å; V260-L264 HydrophobicContact CG1-CD1 4.06Å; V260-L264 HydrophobicContact CG1-CG 4.45Å; V260-L264 WeakPolarHBondContact O-CG 3.24Å; V260-L264 PolarHBondContact O-N 3.05Å; V260-L278 HydrophobicContact CB-CD1 4.48Å; V260-L278 HydrophobicContact CG1-CD1 3.78Å; V260-A281 HydrophobicContact CG2-CB 4.5Å; V260-A281 VanDerWaalsContact CG2-O 3.3Å; V260-A281 WeakPolarHBondContact CG2-O 3.4Å; V260-F289 HydrophobicContact CG1-CB 3.99Å; V260-F289 HydrophobicContact CG1-CD1 3.91Å; V260-F289 HydrophobicContact CG1-CD2 3.7Å; V260-F289 HydrophobicContact CG1-CE1 4.31Å; V260-F289 HydrophobicContact CG1-CE2 4.13Å; V260-F289 HydrophobicContact CG1-CG 3.6Å; V260-F289 HydrophobicContact CG1-CZ 4.41Å; V260-F289 HydrophobicContact CG2-CE2 4.38Å
261	L	87.9	Confident	81.9	Confident	71 Å²	71	63.7 Å²	63.7	37%	0.372	35%	0.353	S	S	.	.	H	α-helix	trans	-59.4	-38.5	177.3	-177.2	63.7	0	0	0	111.9	V256 P257 P258 L264 K265	V256-L261 HydrophobicContact CG1-CB 3.94Å; P257-L261 PolarHBondContact O-N 2.75Å; P258-L261 PolarHBondContact O-N 3.33Å; L261-L264 PolarHBondContact O-N 3.22Å; L261-K265 HydrophobicContact CD1-CD 4.45Å; L261-K265 HydrophobicContact CD1-CG 3.88Å; L261-K265 HydrophobicContact CG-CG 4.22Å; L261-K265 WeakPolarHBondContact O-CB 3.35Å; L261-K265 WeakPolarHBondContact O-CG 3.38Å; L261-K265 PolarHBondContact O-N 3.45Å
262	L	87.2	Confident	84.6	Confident	108 Å²	108	61.4 Å²	61.4	57%	0.565	34%	0.335	S	S	*	.	H	α-helix	trans	-59.8	-53.4	176.2	-177.4	64.4	0	0	0	111	P258 N259 V260 L264 K265 T266	P258-L262 PolarHBondContact O-N 3.27Å; N259-L262 WeakPolarHBondContact O-CB 3.4Å; N259-L262 PolarHBondContact O-N 3.02Å; V260-L262 VanDerWaalsContact C-N 3.26Å; V260-L262 PolarHBondContact O-N 2.92Å; L262-L264 VanDerWaalsContact C-N 3.31Å; L262-L264 PolarHBondContact O-N 3.4Å; L262-K265 PolarHBondContact O-N 3.38Å; L262-T266 HydrophobicContact CD1-CG2 3.81Å; L262-T266 PolarHBondContact O-N 2.77Å; L262-T266 PolarHBondContact O-OG1 3.49Å
263	F	89.6	Confident	86.8	Confident	56 Å²	56	60.5 Å²	60.5	25%	0.246	33%	0.329	C	S	.	.	H	α-helix	trans	-54.8	-46.1	176.5	-83.8	-82.3	0	0	0	112	N259 V260 G267 D274 L278 A281	N259-F263 WeakPolarHBondContact O-CD2 3.29Å; N259-F263 PolarHBondContact O-N 3.19Å; V260-F263 PolarHBondContact O-N 3.18Å; F263-G267 WeakPolarHBondContact O-CA 3.47Å; F263-G267 PolarHBondContact O-N 3.26Å; F263-D274 HydrophobicContact CE1-CB 4.35Å; F263-L278 HydrophobicContact CB-CB 4.35Å; F263-L278 HydrophobicContact CB-CD1 3.88Å; F263-L278 HydrophobicContact CG-CB 4.41Å; F263-A281 HydrophobicContact CD2-CB 3.86Å; F263-A281 HydrophobicContact CE2-CB 3.69Å
264	L	90.1	Very high	88.8	Confident	6 Å²	6	57.7 Å²	57.7	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-45.4	179.8	-66.5	173.1	0	0	0	112.1	V256 V260 L261 L262 L268 L278 F289 V290 E293	V256-L264 HydrophobicContact CG1-CD1 4.25Å; V260-L264 HydrophobicContact CG1-CD1 4.06Å; V260-L264 HydrophobicContact CG1-CG 4.45Å; V260-L264 WeakPolarHBondContact O-CG 3.24Å; V260-L264 PolarHBondContact O-N 3.05Å; L261-L264 PolarHBondContact O-N 3.22Å; L262-L264 VanDerWaalsContact C-N 3.31Å; L262-L264 PolarHBondContact O-N 3.4Å; L264-L268 HydrophobicContact CD2-CD1 4.36Å; L264-L268 HydrophobicContact CD2-CD2 4.39Å; L264-L268 WeakPolarHBondContact O-CB 3.39Å; L264-L268 PolarHBondContact O-N 2.86Å; L264-L278 HydrophobicContact CD2-CD1 4.41Å; L264-L278 HydrophobicContact CD2-CD2 4.3Å; L264-L278 HydrophobicContact CG-CD1 4.43Å; L264-F289 HydrophobicContact CD1-CB 4.35Å; L264-V290 HydrophobicContact CD2-CG2 4.42Å; L264-E293 HydrophobicContact CB-CG 4.49Å; L264-E293 HydrophobicContact CD1-CB 4.22Å; L264-E293 HydrophobicContact CD1-CG 4.45Å; L264-E293 HydrophobicContact CD2-CB 4.32Å
265	K	88.3	Confident	90.2	Very high	133 Å²	133	56.9 Å²	56.9	58%	0.578	31%	0.309	S	S	*	.	H	α-helix	trans	-74.1	-33.6	-176.7	-68	-58.4	179.3	-156.9	0	113.6	L261 L262 E293	L261-K265 HydrophobicContact CD1-CD 4.45Å; L261-K265 HydrophobicContact CD1-CG 3.88Å; L261-K265 HydrophobicContact CG-CG 4.22Å; L261-K265 WeakPolarHBondContact O-CB 3.35Å; L261-K265 WeakPolarHBondContact O-CG 3.38Å; L261-K265 PolarHBondContact O-N 3.45Å; L262-K265 PolarHBondContact O-N 3.38Å; K265-E293 IonicContact NZ-OE1 3.22Å; K265-E293 PolarHBondContact NZ-OE1 2.96Å
266	T	88.9	Confident	91.3	Very high	97 Å²	97	51 Å²	51	60%	0.595	28%	0.279	S	S	*	.	H	α-helix	trans	-91.3	-28.2	-178	61.3	0	0	0	0	113.2	L262	L262-T266 HydrophobicContact CD1-CG2 3.81Å; L262-T266 PolarHBondContact O-N 2.77Å; L262-T266 PolarHBondContact O-OG1 3.49Å
267	G	91.6	Very high	92	Very high	10 Å²	10	49.5 Å²	49.5	10%	0.103	27%	0.271	C	S	.	.	H	α-helix	trans	-116.1	-27.2	-166.9	0	0	0	0	0	116	F263 D269 T270 F273	F263-G267 WeakPolarHBondContact O-CA 3.47Å; F263-G267 PolarHBondContact O-N 3.26Å; G267-D269 PolarHBondContact O-N 2.83Å; G267-D269 VanDerWaalsContact O-N 3.13Å; G267-T270 WeakPolarHBondContact O-CB 3.29Å; G267-T270 PolarHBondContact O-N 3.33Å; G267-T270 PolarHBondContact O-OG1 3.27Å; G267-F273 VanDerWaalsContact O-CD2 3.28Å; G267-F273 WeakPolarHBondContact O-CD2 3.21Å
268	L	94.7	Very high	92.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-31.4	-169.5	-171.4	68.2	0	0	0	113.3	L264 T270 F273 V290 E293 L294 Q340	L264-L268 HydrophobicContact CD2-CD1 4.36Å; L264-L268 HydrophobicContact CD2-CD2 4.39Å; L264-L268 WeakPolarHBondContact O-CB 3.39Å; L264-L268 PolarHBondContact O-N 2.86Å; L268-T270 VanDerWaalsContact C-N 3.3Å; L268-T270 PolarHBondContact O-N 3.5Å; L268-F273 HydrophobicContact CD1-CE1 4.4Å; L268-F273 HydrophobicContact CD1-CZ 4.47Å; L268-V290 HydrophobicContact CD1-CG1 4.2Å; L268-V290 HydrophobicContact CD1-CG2 4.26Å; L268-E293 HydrophobicContact CD2-CB 4.04Å; L268-E293 HydrophobicContact CD2-CG 3.47Å; L268-E293 VanDerWaalsContact CD2-CG 3.47Å; L268-L294 HydrophobicContact CD1-CD2 4.35Å; L268-L294 HydrophobicContact CD1-CG 4.42Å; L268-L294 HydrophobicContact CD2-CD2 3.73Å; L268-L294 HydrophobicContact CD2-CG 4.14Å; L268-L294 HydrophobicContact CG-CD2 4.05Å; L268-Q340 HydrophobicContact CD1-CG 3.78Å; L268-Q340 PolarHBondContact O-NE2 3.28Å
269	D	96.5	Very high	93.3	Very high	62 Å²	62	43 Å²	43	33%	0.332	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	21.8	178.2	-61.4	-8.5	0	0	0	112.6	G267 K297 H343 F347	G267-D269 PolarHBondContact O-N 2.83Å; G267-D269 VanDerWaalsContact O-N 3.13Å; D269-K297 VanDerWaalsContact OD1-CE 3.27Å; D269-K297 WeakPolarHBondContact OD1-CE 3.46Å; D269-K297 IonicContact OD1-NZ 3.94Å; D269-K297 PolarHBondContact OD1-NZ 3.3Å; D269-K297 IonicContact OD2-NZ 2.67Å; D269-K297 PolarHBondContact OD2-NZ 2.9Å; D269-H343 IonicContact OD1-CE1 3.97Å; D269-H343 IonicContact OD1-NE2 3.54Å; D269-H343 PolarHBondContact OD1-NE2 3.28Å; D269-H343 VanDerWaalsContact OD1-NE2 3.17Å; D269-F347 HydrophobicContact CB-CD1 4.42Å; D269-F347 HydrophobicContact CB-CE1 3.96Å
270	T	96.6	Very high	93.9	Very high	58 Å²	58	45.6 Å²	45.6	36%	0.356	24%	0.237	S	C	.	.	S	Bend	trans	-118.1	146.7	178.1	72.8	0	0	0	0	111.5	G267 L268 N272 Q340 M344	G267-T270 WeakPolarHBondContact O-CB 3.29Å; G267-T270 PolarHBondContact O-N 3.33Å; G267-T270 PolarHBondContact O-OG1 3.27Å; L268-T270 VanDerWaalsContact C-N 3.3Å; L268-T270 PolarHBondContact O-N 3.5Å; T270-N272 VanDerWaalsContact C-N 3.34Å; T270-N272 PolarHBondContact O-N 3.22Å; T270-Q340 PolarHBondContact O-NE2 3.29Å; T270-M344 VanDerWaalsContact C-SD 3.6Å; T270-M344 PolarHBondContact N-SD 2.93Å; T270-M344 VanDerWaalsContact N-SD 3.43Å
271	W	97.9	Very high	94.2	Very high	18 Å²	18	47 Å²	47	7%	0.068	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-35.7	-176.8	-173.9	-99.9	0	0	0	113	F273 T341 M344 I345 M348 A483 F541 P586 W587 H590	W271-F273 VanDerWaalsContact C-N 3.34Å; W271-F273 PolarHBondContact O-N 3.13Å; W271-T341 HydrophobicContact CH2-CG2 4.06Å; W271-T341 HydrophobicContact CZ3-CG2 4.4Å; W271-M344 HydrophobicContact CB-CE 4.43Å; W271-M344 HydrophobicContact CE3-CB 3.77Å; W271-M344 HydrophobicContact CE3-CG 4.44Å; W271-M344 HydrophobicContact CZ3-CB 3.94Å; W271-I345 HydrophobicContact CH2-CG1 4.1Å; W271-I345 HydrophobicContact CZ3-CG1 3.96Å; W271-M348 HydrophobicContact CE3-CE 4.19Å; W271-M348 HydrophobicContact CE3-SD 4Å; W271-M348 HydrophobicContact CH2-CE 4.45Å; W271-M348 HydrophobicContact CZ3-CE 3.72Å; W271-M348 HydrophobicContact CZ3-SD 4.11Å; W271-A483 HydrophobicContact CZ2-CB 4.27Å; W271-A483 PolarHBondContact NE1-O 3.13Å; W271-F541 HydrophobicContact CH2-CE1 4.01Å; W271-F541 AromaticContact CZ2-CE1 3.95Å; W271-F541 HydrophobicContact CZ2-CE1 3.95Å; W271-P586 HydrophobicContact CB-CG 4.39Å; W271-P586 HydrophobicContact CD2-CB 4.42Å; W271-P586 HydrophobicContact CD2-CG 3.63Å; W271-P586 HydrophobicContact CE3-CG 3.95Å; W271-P586 HydrophobicContact CG-CB 4.11Å; W271-P586 HydrophobicContact CG-CG 3.81Å; W271-W587 AromaticContact CH2-CE3 3.8Å; W271-W587 HydrophobicContact CH2-CE3 3.8Å; W271-W587 HydrophobicContact CH2-CZ3 4.07Å; W271-W587 HydrophobicContact CZ2-CB 4.47Å; W271-W587 AromaticContact CZ2-CE3 3.8Å; W271-W587 HydrophobicContact CZ2-CE3 3.8Å; W271-W587 HydrophobicContact CZ3-CE3 4.47Å; W271-W587 HydrophobicContact CZ3-CZ3 4.48Å; W271-H590 AromaticContact CD1-CD2 4Å
272	N	97.7	Very high	94.4	Very high	43 Å²	43	44 Å²	44	23%	0.23	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	50.8	-179.8	-62.5	-47.4	0	0	0	110.6	T270 D274 K484 E485 L488 H590	T270-N272 VanDerWaalsContact C-N 3.34Å; T270-N272 PolarHBondContact O-N 3.22Å; N272-D274 PolarHBondContact O-N 3.33Å; N272-K484 WeakPolarHBondContact OD1-CA 3.41Å; N272-E485 HydrophobicContact CB-CB 4.47Å; N272-E485 HydrophobicContact CB-CG 4.03Å; N272-E485 PolarHBondContact OD1-N 3.37Å; N272-L488 HydrophobicContact CB-CD1 4.27Å; N272-H590 PolarHBondContact ND2-NE2 3.29Å; N272-H590 VanDerWaalsContact ND2-NE2 3.13Å; N272-H590 PolarHBondContact OD1-NE2 3.17Å
273	F	98	Very high	94.7	Very high	1 Å²	1	46.5 Å²	46.5	0%	0.004	24%	0.242	C	C	.	.			trans	-64.1	124.7	179.2	177.8	-122.8	0	0	0	111.2	G267 L268 W271 V275 L278 V290 Q340	G267-F273 VanDerWaalsContact O-CD2 3.28Å; G267-F273 WeakPolarHBondContact O-CD2 3.21Å; L268-F273 HydrophobicContact CD1-CE1 4.4Å; L268-F273 HydrophobicContact CD1-CZ 4.47Å; W271-F273 VanDerWaalsContact C-N 3.34Å; W271-F273 PolarHBondContact O-N 3.13Å; F273-V275 VanDerWaalsContact C-N 3.25Å; F273-V275 HydrophobicContact CD1-CB 4.05Å; F273-V275 HydrophobicContact CE1-CB 4.17Å; F273-V275 HydrophobicContact CE1-CG2 4.37Å; F273-V275 PolarHBondContact O-N 3.3Å; F273-L278 HydrophobicContact CE1-CB 4.5Å; F273-L278 HydrophobicContact CE1-CD2 3.93Å; F273-L278 HydrophobicContact CZ-CB 4.01Å; F273-L278 HydrophobicContact CZ-CD2 3.7Å; F273-L278 HydrophobicContact CZ-CG 4.33Å; F273-V290 HydrophobicContact CE1-CG2 4.01Å; F273-Q340 HydrophobicContact CB-CG 4.14Å; F273-Q340 HydrophobicContact CD1-CB 4.28Å; F273-Q340 HydrophobicContact CD1-CG 3.66Å; F273-Q340 HydrophobicContact CE1-CG 4.38Å; F273-Q340 HydrophobicContact CG-CG 4.09Å
274	D	97.7	Very high	94.9	Very high	68 Å²	68	48.6 Å²	48.6	36%	0.364	26%	0.256	S	S	.	.			trans	-76.7	77	176.5	-176.6	13.6	0	0	0	111.5	F263 N272 F276 G277 L278	F263-D274 HydrophobicContact CE1-CB 4.35Å; N272-D274 PolarHBondContact O-N 3.33Å; D274-F276 PolarHBondContact O-N 3.02Å; D274-F276 PolarHBondContact OD1-N 3.18Å; D274-G277 PolarHBondContact O-N 2.99Å; D274-G277 PolarHBondContact OD1-N 2.94Å; D274-G277 WeakPolarHBondContact OD2-CA 3.28Å; D274-L278 PolarHBondContact O-N 2.84Å
275	V	98.4	Very high	95.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-27.9	178.3	68	0	0	0	0	112.5	F273 N279 V333 A336 D337 W492	F273-V275 VanDerWaalsContact C-N 3.25Å; F273-V275 HydrophobicContact CD1-CB 4.05Å; F273-V275 HydrophobicContact CE1-CB 4.17Å; F273-V275 HydrophobicContact CE1-CG2 4.37Å; F273-V275 PolarHBondContact O-N 3.3Å; V275-N279 WeakPolarHBondContact O-CB 3.14Å; V275-N279 PolarHBondContact O-N 3.27Å; V275-V333 HydrophobicContact CB-CG1 4.37Å; V275-V333 HydrophobicContact CG1-CG1 3.87Å; V275-V333 HydrophobicContact CG2-CG1 3.84Å; V275-A336 HydrophobicContact CG2-CB 3.81Å; V275-D337 HydrophobicContact CG1-CB 4.07Å; V275-D337 HydrophobicContact CG2-CB 4.33Å; V275-W492 HydrophobicContact CG1-CZ2 3.83Å
276	F	98.3	Very high	95.6	Very high	29 Å²	29	45 Å²	45	13%	0.127	24%	0.241	C	C	.	.	H	α-helix	trans	-71.8	-45.9	176.1	-67.3	-72.5	0	0	0	111.2	D274 L278 N279 E280 V333 L488 Q491 W492 I495	D274-F276 PolarHBondContact O-N 3.02Å; D274-F276 PolarHBondContact OD1-N 3.18Å; F276-L278 VanDerWaalsContact C-N 3.32Å; F276-L278 PolarHBondContact O-N 3.11Å; F276-N279 WeakPolarHBondContact O-CB 3.38Å; F276-N279 PolarHBondContact O-N 3.32Å; F276-E280 PolarHBondContact O-N 2.79Å; F276-V333 HydrophobicContact CD1-CG1 3.8Å; F276-V333 HydrophobicContact CE1-CG1 3.94Å; F276-V333 HydrophobicContact CG-CG1 4.42Å; F276-L488 HydrophobicContact CD2-CD2 3.96Å; F276-L488 HydrophobicContact CE2-CD2 4.37Å; F276-Q491 VanDerWaalsContact CD2-CD 3.43Å; F276-Q491 HydrophobicContact CD2-CG 4.17Å; F276-Q491 HydrophobicContact CE1-CG 4.2Å; F276-Q491 HydrophobicContact CE2-CB 4.1Å; F276-Q491 HydrophobicContact CE2-CG 3.75Å; F276-Q491 HydrophobicContact CZ-CB 4.44Å; F276-Q491 HydrophobicContact CZ-CG 3.77Å; F276-W492 HydrophobicContact CE1-CH2 4.02Å; F276-W492 HydrophobicContact CE1-CZ2 4.08Å; F276-W492 HydrophobicContact CE1-CZ3 4.35Å; F276-W492 AromaticContact CE2-CD1 3.88Å; F276-W492 AromaticContact CE2-CD2 3.96Å; F276-W492 HydrophobicContact CE2-CD2 3.96Å; F276-W492 AromaticContact CE2-CE2 3.5Å; F276-W492 VanDerWaalsContact CE2-CE2 3.5Å; F276-W492 HydrophobicContact CE2-CG 4.15Å; F276-W492 AromaticContact CE2-CZ2 3.83Å; F276-W492 HydrophobicContact CE2-CZ2 3.83Å; F276-W492 AromaticContact CE2-NE1 3.5Å; F276-W492 AromaticContact CZ-CD2 3.54Å; F276-W492 HydrophobicContact CZ-CD2 3.54Å; F276-W492 AromaticContact CZ-CE2 3.36Å; F276-W492 AromaticContact CZ-CE3 3.86Å; F276-W492 HydrophobicContact CZ-CE3 3.86Å; F276-W492 HydrophobicContact CZ-CG 4.08Å; F276-W492 AromaticContact CZ-CH2 3.73Å; F276-W492 HydrophobicContact CZ-CH2 3.73Å; F276-W492 AromaticContact CZ-CZ2 3.47Å; F276-W492 HydrophobicContact CZ-CZ2 3.47Å; F276-W492 VanDerWaalsContact CZ-CZ2 3.47Å; F276-W492 AromaticContact CZ-CZ3 3.95Å; F276-W492 HydrophobicContact CZ-CZ3 3.95Å; F276-W492 AromaticContact CZ-NE1 3.87Å; F276-I495 HydrophobicContact CE1-CD1 3.84Å; F276-I495 HydrophobicContact CZ-CD1 3.82Å
277	G	97.2	Very high	96.1	Very high	11 Å²	11	40.3 Å²	40.3	11%	0.113	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-39.9	173.4	0	0	0	0	0	112.4	D274 N279 E280 A281	D274-G277 PolarHBondContact O-N 2.99Å; D274-G277 PolarHBondContact OD1-N 2.94Å; D274-G277 WeakPolarHBondContact OD2-CA 3.28Å; G277-N279 VanDerWaalsContact C-N 3.34Å; G277-N279 PolarHBondContact O-N 3.43Å; G277-E280 PolarHBondContact O-N 3.17Å; G277-A281 VanDerWaalsContact O-CB 3.32Å; G277-A281 WeakPolarHBondContact O-CB 3.05Å; G277-A281 PolarHBondContact O-N 2.93Å
278	L	97.2	Very high	96.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.6	-44.8	170.1	175.5	70.1	0	0	0	111.4	V260 F263 L264 F273 D274 F276 E280 A281 S282 A286 V290	V260-L278 HydrophobicContact CB-CD1 4.48Å; V260-L278 HydrophobicContact CG1-CD1 3.78Å; F263-L278 HydrophobicContact CB-CB 4.35Å; F263-L278 HydrophobicContact CB-CD1 3.88Å; F263-L278 HydrophobicContact CG-CB 4.41Å; L264-L278 HydrophobicContact CD2-CD1 4.41Å; L264-L278 HydrophobicContact CD2-CD2 4.3Å; L264-L278 HydrophobicContact CG-CD1 4.43Å; F273-L278 HydrophobicContact CE1-CB 4.5Å; F273-L278 HydrophobicContact CE1-CD2 3.93Å; F273-L278 HydrophobicContact CZ-CB 4.01Å; F273-L278 HydrophobicContact CZ-CD2 3.7Å; F273-L278 HydrophobicContact CZ-CG 4.33Å; D274-L278 PolarHBondContact O-N 2.84Å; F276-L278 VanDerWaalsContact C-N 3.32Å; F276-L278 PolarHBondContact O-N 3.11Å; L278-E280 VanDerWaalsContact C-N 3.33Å; L278-E280 PolarHBondContact O-N 2.67Å; L278-A281 PolarHBondContact O-N 2.92Å; L278-S282 VanDerWaalsContact O-CB 3.23Å; L278-S282 WeakPolarHBondContact O-CB 3.2Å; L278-S282 PolarHBondContact O-N 3.49Å; L278-S282 PolarHBondContact O-OG 3.13Å; L278-A286 HydrophobicContact CD2-CB 3.93Å; L278-A286 HydrophobicContact CG-CB 4.13Å; L278-V290 HydrophobicContact CD2-CG2 3.41Å; L278-V290 VanDerWaalsContact CD2-CG2 3.41Å
279	N	97.9	Very high	96.4	Very high	20 Å²	20	41.1 Å²	41.1	11%	0.107	21%	0.213	C	C	.	.	H	α-helix	trans	-62.4	-40.7	-178.3	-169.6	66.4	0	0	0	112.5	V275 F276 G277 S282 E283 N284 A286 L332 V333	V275-N279 WeakPolarHBondContact O-CB 3.14Å; V275-N279 PolarHBondContact O-N 3.27Å; F276-N279 WeakPolarHBondContact O-CB 3.38Å; F276-N279 PolarHBondContact O-N 3.32Å; G277-N279 VanDerWaalsContact C-N 3.34Å; G277-N279 PolarHBondContact O-N 3.43Å; N279-S282 WeakPolarHBondContact CA-OG 3.26Å; N279-S282 PolarHBondContact O-OG 2.83Å; N279-E283 PolarHBondContact O-N 2.76Å; N279-N284 PolarHBondContact ND2-OD1 3.38Å; N279-N284 VanDerWaalsContact ND2-OD1 3.09Å; N279-N284 PolarHBondContact O-N 3.38Å; N279-N284 VanDerWaalsContact OD1-CA 3.29Å; N279-N284 WeakPolarHBondContact OD1-CA 3.38Å; N279-A286 HydrophobicContact CB-CB 3.82Å; N279-L332 VanDerWaalsContact OD1-CD1 3.3Å; N279-L332 WeakPolarHBondContact OD1-CD1 3.3Å; N279-V333 HydrophobicContact CB-CG1 4.46Å; N279-V333 HydrophobicContact CB-CG2 3.81Å
280	E	95.5	Very high	96.5	Very high	165 Å²	165	38.1 Å²	38.1	77%	0.771	20%	0.197	S	C	*	.	H	α-helix	trans	-65.2	-49.2	173.4	-173.9	174.7	-175.6	0	0	111.3	F276 G277 L278 S282 E283	F276-E280 PolarHBondContact O-N 2.79Å; G277-E280 PolarHBondContact O-N 3.17Å; L278-E280 VanDerWaalsContact C-N 3.33Å; L278-E280 PolarHBondContact O-N 2.67Å; E280-S282 PolarHBondContact O-N 3.24Å; E280-E283 PolarHBondContact O-N 2.88Å; E280-E283 VanDerWaalsContact O-N 3.14Å
281	A	91.5	Very high	96.6	Very high	31 Å²	31	35.4 Å²	35.4	26%	0.256	18%	0.181	S	C	.	.	H	α-helix	trans	-64.6	-23.1	-179.5	0	0	0	0	0	114	N259 V260 F263 G277 L278	N259-A281 HydrophobicContact CB-CB 4.37Å; V260-A281 HydrophobicContact CG2-CB 4.5Å; V260-A281 VanDerWaalsContact CG2-O 3.3Å; V260-A281 WeakPolarHBondContact CG2-O 3.4Å; F263-A281 HydrophobicContact CD2-CB 3.86Å; F263-A281 HydrophobicContact CE2-CB 3.69Å; G277-A281 VanDerWaalsContact O-CB 3.32Å; G277-A281 WeakPolarHBondContact O-CB 3.05Å; G277-A281 PolarHBondContact O-N 2.93Å; L278-A281 PolarHBondContact O-N 2.92Å
282	S	91.8	Very high	96.4	Very high	7 Å²	7	35.1 Å²	35.1	5%	0.049	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	2.8	178.7	62.2	0	0	0	0	114.1	L278 N279 E280 H285 A286	L278-S282 VanDerWaalsContact O-CB 3.23Å; L278-S282 WeakPolarHBondContact O-CB 3.2Å; L278-S282 PolarHBondContact O-N 3.49Å; L278-S282 PolarHBondContact O-OG 3.13Å; N279-S282 WeakPolarHBondContact CA-OG 3.26Å; N279-S282 PolarHBondContact O-OG 2.83Å; E280-S282 PolarHBondContact O-N 3.24Å; S282-H285 WeakPolarHBondContact O-CB 3.24Å; S282-H285 PolarHBondContact O-CD2 3.03Å; S282-H285 PolarHBondContact O-N 3.02Å; S282-H285 PolarHBondContact OG-N 3.3Å; S282-A286 PolarHBondContact OG-N 3.38Å
283	E	93.4	Very high	96.3	Very high	160 Å²	160	34.4 Å²	34.4	75%	0.748	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	46.8	-178.8	-57.1	-179.5	-169.6	0	0	113.5	N279 E280	N279-E283 PolarHBondContact O-N 2.76Å; E280-E283 PolarHBondContact O-N 2.88Å; E280-E283 VanDerWaalsContact O-N 3.14Å
284	N	94.3	Very high	96.3	Very high	101 Å²	101	34.4 Å²	34.4	54%	0.54	18%	0.175	S	C	.	.	S	Bend	trans	74.9	30.4	-176.8	-50.9	-70.6	0	0	0	115.8	N279 L332	N279-N284 PolarHBondContact ND2-OD1 3.38Å; N279-N284 VanDerWaalsContact ND2-OD1 3.09Å; N279-N284 PolarHBondContact O-N 3.38Å; N279-N284 VanDerWaalsContact OD1-CA 3.29Å; N279-N284 WeakPolarHBondContact OD1-CA 3.38Å; N284-L332 HydrophobicContact CB-CD2 4.46Å; N284-L332 VanDerWaalsContact O-CD2 3.27Å; N284-L332 WeakPolarHBondContact O-CD2 3.32Å
285	H	96.1	Very high	96.2	Very high	62 Å²	62	31.6 Å²	31.6	29%	0.287	16%	0.16	S	C	.	.			trans	-117.4	25.5	177.8	-71.3	-66.1	0	0	0	113.8	S282 L287 K288 F289 E319	S282-H285 WeakPolarHBondContact O-CB 3.24Å; S282-H285 PolarHBondContact O-CD2 3.03Å; S282-H285 PolarHBondContact O-N 3.02Å; S282-H285 PolarHBondContact OG-N 3.3Å; H285-L287 VanDerWaalsContact C-N 3.31Å; H285-L287 PolarHBondContact O-N 3.47Å; H285-K288 PolarHBondContact O-N 2.97Å; H285-F289 HydrophobicContact CB-CD2 3.83Å; H285-F289 HydrophobicContact CB-CE2 3.69Å; H285-F289 WeakPolarHBondContact O-CD2 3.3Å; H285-F289 PolarHBondContact O-N 3.38Å; H285-F289 VanDerWaalsContact O-N 3.13Å; H285-E319 VanDerWaalsContact C-OE1 3.24Å; H285-E319 WeakPolarHBondContact CA-OE1 3.36Å; H285-E319 IonicContact CE1-OE2 3.91Å; H285-E319 IonicContact CG-OE2 3.93Å; H285-E319 IonicContact ND1-OE1 3.6Å; H285-E319 IonicContact ND1-OE2 3.83Å; H285-E319 PolarHBondContact ND1-OE2 2.89Å
286	A	97.7	Very high	96	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.5	-43	-177	0	0	0	0	0	112.4	L278 N279 S282 F289 V290 L332 A336	L278-A286 HydrophobicContact CD2-CB 3.93Å; L278-A286 HydrophobicContact CG-CB 4.13Å; N279-A286 HydrophobicContact CB-CB 3.82Å; S282-A286 PolarHBondContact OG-N 3.38Å; A286-F289 PolarHBondContact O-N 3.31Å; A286-V290 WeakPolarHBondContact O-CB 3.36Å; A286-V290 WeakPolarHBondContact O-CG2 3.21Å; A286-V290 PolarHBondContact O-N 2.91Å; A286-L332 HydrophobicContact CB-CD1 4.1Å; A286-A336 HydrophobicContact CB-CB 4.27Å
287	L	98.5	Very high	95.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.3	-49.9	-179.5	-179.5	61.5	0	0	0	111.5	H285 F289 A291 L318 E319 Y322 L332 A335 A336 V369	H285-L287 VanDerWaalsContact C-N 3.31Å; H285-L287 PolarHBondContact O-N 3.47Å; L287-F289 PolarHBondContact O-N 3.41Å; L287-A291 WeakPolarHBondContact O-CB 3.47Å; L287-A291 PolarHBondContact O-N 2.95Å; L287-L318 HydrophobicContact CD2-CB 4.22Å; L287-E319 HydrophobicContact CB-CG 3.94Å; L287-E319 HydrophobicContact CD2-CG 4.12Å; L287-E319 HydrophobicContact CG-CG 4.45Å; L287-Y322 HydrophobicContact CD2-CD2 3.66Å; L287-Y322 HydrophobicContact CD2-CE2 3.65Å; L287-L332 HydrophobicContact CB-CB 4.02Å; L287-L332 HydrophobicContact CB-CD1 4.18Å; L287-L332 HydrophobicContact CD2-CB 4.25Å; L287-A335 HydrophobicContact CD1-CB 3.76Å; L287-A335 HydrophobicContact CD2-CB 4.18Å; L287-A336 HydrophobicContact CB-CB 4.4Å; L287-A336 HydrophobicContact CD1-CB 4.36Å; L287-V369 HydrophobicContact CD1-CB 4.47Å; L287-V369 HydrophobicContact CD1-CG1 4.17Å; L287-V369 HydrophobicContact CD1-CG2 4.11Å
288	K	96.7	Very high	95.7	Very high	18 Å²	18	36.7 Å²	36.7	8%	0.078	18%	0.179	C	C	.	.	H	α-helix	trans	-56.4	-49.5	177.9	179.1	-174.7	70.8	-175.6	0	111.1	L254 H285 A291 F292 L315 I316 E319	L254-K288 HydrophobicContact CD1-CD 4.15Å; H285-K288 PolarHBondContact O-N 2.97Å; K288-A291 PolarHBondContact O-N 3.47Å; K288-F292 VanDerWaalsContact O-CB 3.24Å; K288-F292 WeakPolarHBondContact O-CB 3.35Å; K288-F292 PolarHBondContact O-N 3.38Å; K288-L315 HydrophobicContact CB-CB 4.14Å; K288-L315 HydrophobicContact CG-CB 4.01Å; K288-L315 HydrophobicContact CG-CD1 4.19Å; K288-I316 HydrophobicContact CD-CG1 4.12Å; K288-E319 WeakPolarHBondContact CB-OE1 3.4Å; K288-E319 PolarHBondContact N-OE1 3.03Å
289	F	96	Very high	95.6	Very high	9 Å²	9	40.6 Å²	40.6	4%	0.039	20%	0.2	C	C	.	.	H	α-helix	trans	-70.3	-42.3	-175.5	-74.4	-62.5	0	0	0	113.2	L254 V256 P257 V260 L264 H285 A286 L287 E293	L254-F289 HydrophobicContact CD1-CE1 4.15Å; L254-F289 HydrophobicContact CD2-CD1 3.97Å; L254-F289 HydrophobicContact CD2-CE1 4Å; L254-F289 HydrophobicContact CG-CE1 4.07Å; V256-F289 HydrophobicContact CB-CE1 4.39Å; V256-F289 HydrophobicContact CG1-CD1 4.28Å; V256-F289 HydrophobicContact CG1-CE1 4.25Å; V256-F289 HydrophobicContact CG2-CD1 4.29Å; V256-F289 HydrophobicContact CG2-CE1 4.15Å; P257-F289 HydrophobicContact CG-CZ 4.44Å; V260-F289 HydrophobicContact CG1-CB 3.99Å; V260-F289 HydrophobicContact CG1-CD1 3.91Å; V260-F289 HydrophobicContact CG1-CD2 3.7Å; V260-F289 HydrophobicContact CG1-CE1 4.31Å; V260-F289 HydrophobicContact CG1-CE2 4.13Å; V260-F289 HydrophobicContact CG1-CG 3.6Å; V260-F289 HydrophobicContact CG1-CZ 4.41Å; V260-F289 HydrophobicContact CG2-CE2 4.38Å; L264-F289 HydrophobicContact CD1-CB 4.35Å; H285-F289 HydrophobicContact CB-CD2 3.83Å; H285-F289 HydrophobicContact CB-CE2 3.69Å; H285-F289 WeakPolarHBondContact O-CD2 3.3Å; H285-F289 PolarHBondContact O-N 3.38Å; H285-F289 VanDerWaalsContact O-N 3.13Å; A286-F289 PolarHBondContact O-N 3.31Å; L287-F289 PolarHBondContact O-N 3.41Å; F289-E293 WeakPolarHBondContact O-CB 2.96Å; F289-E293 PolarHBondContact O-N 2.99Å
290	V	98.1	Very high	95.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-46.9	174	168.6	0	0	0	0	110.3	L264 L268 F273 L278 A286 F292 E293 L294 A336 M339 Q340	L264-V290 HydrophobicContact CD2-CG2 4.42Å; L268-V290 HydrophobicContact CD1-CG1 4.2Å; L268-V290 HydrophobicContact CD1-CG2 4.26Å; F273-V290 HydrophobicContact CE1-CG2 4.01Å; L278-V290 HydrophobicContact CD2-CG2 3.41Å; L278-V290 VanDerWaalsContact CD2-CG2 3.41Å; A286-V290 WeakPolarHBondContact O-CB 3.36Å; A286-V290 WeakPolarHBondContact O-CG2 3.21Å; A286-V290 PolarHBondContact O-N 2.91Å; V290-F292 PolarHBondContact O-N 3.46Å; V290-E293 PolarHBondContact O-N 2.95Å; V290-L294 HydrophobicContact CG1-CD1 3.71Å; V290-L294 HydrophobicContact CG1-CG 4.33Å; V290-L294 WeakPolarHBondContact O-CB 3.37Å; V290-L294 VanDerWaalsContact O-CG 3.31Å; V290-L294 WeakPolarHBondContact O-CG 3.42Å; V290-L294 PolarHBondContact O-N 2.87Å; V290-A336 HydrophobicContact CB-CB 4.38Å; V290-A336 HydrophobicContact CG2-CB 4.27Å; V290-M339 HydrophobicContact CG1-SD 3.96Å; V290-Q340 HydrophobicContact CG1-CB 4.29Å
291	A	98.4	Very high	95.6	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-64	-44.4	-178.6	0	0	0	0	0	112.4	L287 K288 L295 L315 M339 V369	L287-A291 WeakPolarHBondContact O-CB 3.47Å; L287-A291 PolarHBondContact O-N 2.95Å; K288-A291 PolarHBondContact O-N 3.47Å; A291-L295 WeakPolarHBondContact O-CB 3.47Å; A291-L295 WeakPolarHBondContact O-CG 3.48Å; A291-L295 PolarHBondContact O-N 3.1Å; A291-L315 HydrophobicContact CB-CD1 4.05Å; A291-L315 HydrophobicContact CB-CD2 3.51Å; A291-L315 HydrophobicContact CB-CG 4.46Å; A291-M339 WeakPolarHBondContact CA-SD 3.32Å; A291-M339 HydrophobicContact CB-CE 3.9Å; A291-M339 HydrophobicContact CB-SD 3.73Å; A291-V369 HydrophobicContact CB-CG2 4.09Å
292	F	94.8	Very high	95.7	Very high	11 Å²	11	33.5 Å²	33.5	5%	0.048	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-48.8	178.4	-157.5	-80.7	0	0	0	112	S252 L254 K288 V290 L294 L295 H296 I301 L311	S252-F292 VanDerWaalsContact OG-CE1 3.24Å; S252-F292 WeakPolarHBondContact OG-CE1 3.44Å; S252-F292 WeakPolarHBondContact OG-CZ 3.47Å; L254-F292 HydrophobicContact CD2-CB 3.75Å; L254-F292 HydrophobicContact CD2-CD1 3.69Å; L254-F292 HydrophobicContact CD2-CD2 3.83Å; L254-F292 HydrophobicContact CD2-CE1 4.32Å; L254-F292 HydrophobicContact CD2-CE2 4.43Å; L254-F292 HydrophobicContact CD2-CG 3.44Å; L254-F292 VanDerWaalsContact CD2-CG 3.44Å; K288-F292 VanDerWaalsContact O-CB 3.24Å; K288-F292 WeakPolarHBondContact O-CB 3.35Å; K288-F292 PolarHBondContact O-N 3.38Å; V290-F292 PolarHBondContact O-N 3.46Å; F292-L294 PolarHBondContact O-N 3.2Å; F292-L295 PolarHBondContact O-N 3.26Å; F292-H296 VanDerWaalsContact O-CB 3.3Å; F292-H296 WeakPolarHBondContact O-CB 3.15Å; F292-H296 PolarHBondContact O-N 3.16Å; F292-I301 HydrophobicContact CE1-CD1 4.09Å; F292-I301 HydrophobicContact CE2-CD1 4.28Å; F292-I301 HydrophobicContact CZ-CD1 3.87Å; F292-L311 HydrophobicContact CD2-CD2 4Å; F292-L311 HydrophobicContact CD2-CG 4.48Å; F292-L311 HydrophobicContact CE2-CD2 3.93Å
293	E	94.9	Very high	95.9	Very high	29 Å²	29	38.5 Å²	38.5	14%	0.136	18%	0.184	C	C	.	.	H	α-helix	trans	-63.9	-41.1	-179.7	-176.1	66.9	-172.2	0	0	111.3	L264 K265 L268 F289 V290 H296 K297	L264-E293 HydrophobicContact CB-CG 4.49Å; L264-E293 HydrophobicContact CD1-CB 4.22Å; L264-E293 HydrophobicContact CD1-CG 4.45Å; L264-E293 HydrophobicContact CD2-CB 4.32Å; K265-E293 IonicContact NZ-OE1 3.22Å; K265-E293 PolarHBondContact NZ-OE1 2.96Å; L268-E293 HydrophobicContact CD2-CB 4.04Å; L268-E293 HydrophobicContact CD2-CG 3.47Å; L268-E293 VanDerWaalsContact CD2-CG 3.47Å; F289-E293 WeakPolarHBondContact O-CB 2.96Å; F289-E293 PolarHBondContact O-N 2.99Å; V290-E293 PolarHBondContact O-N 2.95Å; E293-H296 PolarHBondContact O-N 3.47Å; E293-K297 WeakPolarHBondContact O-CB 3.35Å; E293-K297 PolarHBondContact O-N 3.1Å
294	L	97.3	Very high	96.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-68.9	-43.6	178.6	-70.7	178.7	0	0	0	112.5	L268 V290 F292 H296 K297 Y298 M339 H343 L365	L268-L294 HydrophobicContact CD1-CD2 4.35Å; L268-L294 HydrophobicContact CD1-CG 4.42Å; L268-L294 HydrophobicContact CD2-CD2 3.73Å; L268-L294 HydrophobicContact CD2-CG 4.14Å; L268-L294 HydrophobicContact CG-CD2 4.05Å; V290-L294 HydrophobicContact CG1-CD1 3.71Å; V290-L294 HydrophobicContact CG1-CG 4.33Å; V290-L294 WeakPolarHBondContact O-CB 3.37Å; V290-L294 VanDerWaalsContact O-CG 3.31Å; V290-L294 WeakPolarHBondContact O-CG 3.42Å; V290-L294 PolarHBondContact O-N 2.87Å; F292-L294 PolarHBondContact O-N 3.2Å; L294-H296 VanDerWaalsContact C-N 3.25Å; L294-H296 PolarHBondContact O-N 3.25Å; L294-K297 HydrophobicContact CD2-CD 4.37Å; L294-K297 PolarHBondContact O-N 3.18Å; L294-Y298 VanDerWaalsContact O-CD2 3.26Å; L294-Y298 WeakPolarHBondContact O-CD2 3.35Å; L294-Y298 PolarHBondContact O-N 2.89Å; L294-M339 HydrophobicContact CB-CE 4.09Å; L294-M339 HydrophobicContact CD1-CE 4.19Å; L294-M339 HydrophobicContact CD1-CG 3.84Å; L294-M339 HydrophobicContact CD1-SD 3.88Å; L294-H343 HydrophobicContact CD1-CB 3.83Å; L294-H343 HydrophobicContact CD2-CB 3.79Å; L294-H343 HydrophobicContact CG-CB 4.48Å; L294-L365 HydrophobicContact CB-CD1 4.3Å; L294-L365 HydrophobicContact CD1-CD2 4.22Å
295	L	97.3	Very high	96.1	Very high	9 Å²	9	33.6 Å²	33.6	5%	0.047	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-35.6	175	-69.5	173.4	0	0	0	111.5	A291 F292 N299 L300 I301 L311 F362	A291-L295 WeakPolarHBondContact O-CB 3.47Å; A291-L295 WeakPolarHBondContact O-CG 3.48Å; A291-L295 PolarHBondContact O-N 3.1Å; F292-L295 PolarHBondContact O-N 3.26Å; L295-N299 PolarHBondContact O-N 2.9Å; L295-L300 HydrophobicContact CD2-CB 4.17Å; L295-L300 HydrophobicContact CD2-CD1 3.73Å; L295-L300 PolarHBondContact O-N 3.25Å; L295-I301 HydrophobicContact CB-CD1 4.2Å; L295-I301 HydrophobicContact CB-CG1 3.9Å; L295-L311 HydrophobicContact CD1-CD1 3.72Å; L295-L311 HydrophobicContact CD1-CD2 3.82Å; L295-L311 HydrophobicContact CD1-CG 4.4Å; L295-F362 HydrophobicContact CD2-CD2 3.87Å; L295-F362 HydrophobicContact CD2-CE2 4.06Å
296	H	93.4	Very high	96.1	Very high	56 Å²	56	31 Å²	31	26%	0.259	15%	0.146	S	C	.	.	H	α-helix	trans	-69.7	-47.9	173.4	-175.8	79.8	0	0	0	112.3	F292 E293 L294 Y298 N299 I301	F292-H296 VanDerWaalsContact O-CB 3.3Å; F292-H296 WeakPolarHBondContact O-CB 3.15Å; F292-H296 PolarHBondContact O-N 3.16Å; E293-H296 PolarHBondContact O-N 3.47Å; L294-H296 VanDerWaalsContact C-N 3.25Å; L294-H296 PolarHBondContact O-N 3.25Å; H296-Y298 VanDerWaalsContact C-N 3.28Å; H296-Y298 PolarHBondContact O-N 3.09Å; H296-N299 WeakPolarHBondContact O-CA 3.36Å; H296-N299 PolarHBondContact O-N 3Å; H296-I301 HydrophobicContact CB-CD1 4.31Å
297	K	93.7	Very high	95.9	Very high	80 Å²	80	35.1 Å²	35.1	35%	0.348	17%	0.168	S	C	.	.	H	α-helix	trans	-56.2	-41.8	179.9	-173.4	-168.6	-173.7	89.8	0	111.9	D269 E293 L294 N299	D269-K297 VanDerWaalsContact OD1-CE 3.27Å; D269-K297 WeakPolarHBondContact OD1-CE 3.46Å; D269-K297 IonicContact OD1-NZ 3.94Å; D269-K297 PolarHBondContact OD1-NZ 3.3Å; D269-K297 IonicContact OD2-NZ 2.67Å; D269-K297 PolarHBondContact OD2-NZ 2.9Å; E293-K297 WeakPolarHBondContact O-CB 3.35Å; E293-K297 PolarHBondContact O-N 3.1Å; L294-K297 HydrophobicContact CD2-CD 4.37Å; L294-K297 PolarHBondContact O-N 3.18Å; K297-N299 VanDerWaalsContact C-N 3.25Å; K297-N299 PolarHBondContact O-N 2.73Å
298	Y	95.2	Very high	95.6	Very high	12 Å²	12	36.9 Å²	36.9	5%	0.047	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	3	176	-72.1	-65.4	0	0	0	114	L294 H296 L300 H343 I346 I361 L365	L294-Y298 VanDerWaalsContact O-CD2 3.26Å; L294-Y298 WeakPolarHBondContact O-CD2 3.35Å; L294-Y298 PolarHBondContact O-N 2.89Å; H296-Y298 VanDerWaalsContact C-N 3.28Å; H296-Y298 PolarHBondContact O-N 3.09Å; Y298-L300 PolarHBondContact O-N 3.42Å; Y298-H343 AromaticContact CE2-ND1 3.39Å; Y298-H343 WeakPolarHBondContact CE2-ND1 3.3Å; Y298-H343 AromaticContact CZ-ND1 3.4Å; Y298-H343 PolarHBondContact OH-ND1 2.88Å; Y298-I346 HydrophobicContact CE1-CG2 4.45Å; Y298-I346 WeakPolarHBondContact OH-CG2 3.38Å; Y298-I361 HydrophobicContact CD1-CD1 4.2Å; Y298-I361 HydrophobicContact CD1-CG2 3.99Å; Y298-I361 HydrophobicContact CD2-CG2 3.84Å; Y298-I361 HydrophobicContact CE1-CD1 4.29Å; Y298-I361 HydrophobicContact CE1-CG2 4.18Å; Y298-I361 HydrophobicContact CE2-CG2 4.02Å; Y298-I361 HydrophobicContact CG-CG2 3.79Å; Y298-L365 HydrophobicContact CD2-CD1 3.58Å; Y298-L365 HydrophobicContact CE2-CD1 3.87Å
299	N	95.4	Very high	95.3	Very high	81 Å²	81	39.8 Å²	39.8	43%	0.433	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	27.3	-178.7	-170.1	52.2	0	0	0	113.8	L295 H296 K297 N302 K303	L295-N299 PolarHBondContact O-N 2.9Å; H296-N299 WeakPolarHBondContact O-CA 3.36Å; H296-N299 PolarHBondContact O-N 3Å; K297-N299 VanDerWaalsContact C-N 3.25Å; K297-N299 PolarHBondContact O-N 2.73Å; N299-N302 WeakPolarHBondContact OD1-CB 3.49Å; N299-N302 PolarHBondContact OD1-ND2 2.91Å; N299-K303 WeakPolarHBondContact O-CB 3.25Å; N299-K303 PolarHBondContact O-N 2.91Å
300	L	97.5	Very high	95.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-74.6	-33.7	-174.9	-58.1	177.5	0	0	0	112	L295 Y298 N302 K303 F304 D358 I361 F362 L365	L295-L300 HydrophobicContact CD2-CB 4.17Å; L295-L300 HydrophobicContact CD2-CD1 3.73Å; L295-L300 PolarHBondContact O-N 3.25Å; Y298-L300 PolarHBondContact O-N 3.42Å; L300-N302 PolarHBondContact O-N 3.09Å; L300-K303 PolarHBondContact O-N 3.26Å; L300-F304 HydrophobicContact CB-CD2 4.32Å; L300-F304 HydrophobicContact CD2-CD2 4.38Å; L300-F304 HydrophobicContact CD2-CE2 3.93Å; L300-F304 PolarHBondContact O-N 3.23Å; L300-D358 HydrophobicContact CD2-CB 4.02Å; L300-D358 WeakPolarHBondContact CD2-O 3.5Å; L300-I361 HydrophobicContact CD1-CG2 4.15Å; L300-F362 HydrophobicContact CD1-CB 3.92Å; L300-F362 HydrophobicContact CD1-CD2 4.37Å; L300-F362 HydrophobicContact CD1-CG 4.46Å; L300-F362 HydrophobicContact CD2-CB 4.37Å; L300-L365 HydrophobicContact CD1-CD1 3.99Å
301	I	95.1	Very high	95.2	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.051	20%	0.201	C	C	.	.	H	α-helix	trans	-56.9	-51.9	176.7	-60	175.9	0	0	0	110.2	F292 L295 H296 Q305 I306 L311	F292-I301 HydrophobicContact CE1-CD1 4.09Å; F292-I301 HydrophobicContact CE2-CD1 4.28Å; F292-I301 HydrophobicContact CZ-CD1 3.87Å; L295-I301 HydrophobicContact CB-CD1 4.2Å; L295-I301 HydrophobicContact CB-CG1 3.9Å; H296-I301 HydrophobicContact CB-CD1 4.31Å; I301-Q305 CarbonylContact O-C 3.59Å; I301-Q305 WeakPolarHBondContact O-CA 3.32Å; I301-Q305 PolarHBondContact O-N 2.73Å; I301-Q305 VanDerWaalsContact O-N 3.1Å; I301-I306 HydrophobicContact CG2-CB 4.27Å; I301-I306 PolarHBondContact O-N 2.79Å; I301-L311 HydrophobicContact CD1-CD2 3.95Å; I301-L311 HydrophobicContact CG1-CD2 4.11Å
302	N	94.2	Very high	95	Very high	58 Å²	58	42.2 Å²	42.2	31%	0.31	21%	0.212	S	C	.	.	H	α-helix	trans	-70.9	-43.7	178.8	-65.7	-39	0	0	0	111.9	S249 N299 L300 F304 Q305	S249-N302 WeakPolarHBondContact CB-OD1 3.47Å; N299-N302 WeakPolarHBondContact OD1-CB 3.49Å; N299-N302 PolarHBondContact OD1-ND2 2.91Å; L300-N302 PolarHBondContact O-N 3.09Å; N302-F304 VanDerWaalsContact C-N 3.33Å; N302-F304 PolarHBondContact O-N 3.49Å; N302-Q305 PolarHBondContact O-N 3.13Å
303	K	95.7	Very high	95	Very high	111 Å²	111	42.9 Å²	42.9	48%	0.483	22%	0.218	S	C	.	.	H	α-helix	trans	-58.4	-43.6	-176.3	176.5	64.8	175.8	-166.4	0	112.4	N299 L300 D358	N299-K303 WeakPolarHBondContact O-CB 3.25Å; N299-K303 PolarHBondContact O-N 2.91Å; L300-K303 PolarHBondContact O-N 3.26Å; K303-D358 VanDerWaalsContact CE-OD2 3.29Å; K303-D358 WeakPolarHBondContact CE-OD2 3.29Å; K303-D358 HydrophobicContact CG-CB 4.21Å; K303-D358 IonicContact NZ-OD2 3.67Å
304	F	97.4	Very high	95.1	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.026	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	13.6	-177.6	-61.2	-58.2	0	0	0	113.2	L300 N302 I306 D358 L359 F362 G422 L423	L300-F304 HydrophobicContact CB-CD2 4.32Å; L300-F304 HydrophobicContact CD2-CD2 4.38Å; L300-F304 HydrophobicContact CD2-CE2 3.93Å; L300-F304 PolarHBondContact O-N 3.23Å; N302-F304 VanDerWaalsContact C-N 3.33Å; N302-F304 PolarHBondContact O-N 3.49Å; F304-I306 HydrophobicContact CB-CG1 4.13Å; F304-I306 PolarHBondContact O-N 3.41Å; F304-D358 HydrophobicContact CE2-CB 4.18Å; F304-D358 HydrophobicContact CZ-CB 4Å; F304-L359 HydrophobicContact CE1-CD1 3.98Å; F304-L359 HydrophobicContact CZ-CB 4.05Å; F304-L359 HydrophobicContact CZ-CD1 3.84Å; F304-F362 HydrophobicContact CD2-CB 4.29Å; F304-F362 AromaticContact CD2-CD1 3.61Å; F304-F362 HydrophobicContact CD2-CD1 3.61Å; F304-F362 HydrophobicContact CD2-CE1 4.24Å; F304-F362 HydrophobicContact CD2-CG 4.15Å; F304-F362 HydrophobicContact CE2-CB 3.81Å; F304-F362 AromaticContact CE2-CD1 3.83Å; F304-F362 HydrophobicContact CE2-CD1 3.83Å; F304-F362 HydrophobicContact CE2-CG 4.16Å; F304-F362 HydrophobicContact CG-CD1 4.3Å; F304-G422 WeakPolarHBondContact O-CA 3.49Å; F304-L423 HydrophobicContact CB-CD2 4.01Å; F304-L423 HydrophobicContact CD1-CD2 3.23Å; F304-L423 HydrophobicContact CE1-CD2 3.73Å; F304-L423 HydrophobicContact CG-CD2 3.69Å
305	Q	95.6	Very high	95.2	Very high	152 Å²	152	41.8 Å²	41.8	71%	0.71	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	41.9	177.9	-57	177.1	43.6	0	0	112.6	I301 N302 N307	I301-Q305 CarbonylContact O-C 3.59Å; I301-Q305 WeakPolarHBondContact O-CA 3.32Å; I301-Q305 PolarHBondContact O-N 2.73Å; I301-Q305 VanDerWaalsContact O-N 3.1Å; N302-Q305 PolarHBondContact O-N 3.13Å; Q305-N307 PolarHBondContact O-N 3.44Å
306	I	96	Very high	95.1	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.036	23%	0.228	C	C	.	.			trans	-67.3	121.4	-179.3	-58.3	178.8	0	0	0	108.3	I301 F304 S308 L311 F362 I419	I301-I306 HydrophobicContact CG2-CB 4.27Å; I301-I306 PolarHBondContact O-N 2.79Å; F304-I306 HydrophobicContact CB-CG1 4.13Å; F304-I306 PolarHBondContact O-N 3.41Å; I306-S308 PolarHBondContact O-N 3.34Å; I306-S308 VanDerWaalsContact O-N 3.16Å; I306-L311 HydrophobicContact CG2-CB 3.88Å; I306-L311 HydrophobicContact CG2-CD2 4.14Å; I306-L311 HydrophobicContact CG2-CG 4.42Å; I306-F362 HydrophobicContact CD1-CE1 4.3Å; I306-F362 HydrophobicContact CD1-CE2 4.05Å; I306-F362 HydrophobicContact CD1-CZ 3.78Å; I306-I419 HydrophobicContact CG2-CB 3.83Å; I306-I419 HydrophobicContact CG2-CG2 4.09Å
307	N	93.7	Very high	95.3	Very high	87 Å²	87	44.8 Å²	44.8	47%	0.465	23%	0.229	S	C	.	.			trans	-63.4	115.8	172.8	-178.9	-48	0	0	0	109.2	Q305 T309 A310 L311	Q305-N307 PolarHBondContact O-N 3.44Å; N307-T309 VanDerWaalsContact C-N 3.31Å; N307-T309 PolarHBondContact O-N 3.08Å; N307-T309 WeakPolarHBondContact OD1-CA 3.49Å; N307-T309 WeakPolarHBondContact OD1-CB 3.3Å; N307-T309 PolarHBondContact OD1-N 2.87Å; N307-A310 HydrophobicContact CB-CB 3.97Å; N307-A310 PolarHBondContact O-N 3.18Å; N307-A310 PolarHBondContact OD1-N 2.86Å; N307-L311 WeakPolarHBondContact O-CB 3.42Å; N307-L311 PolarHBondContact O-N 3.2Å
308	S	91.3	Very high	95.6	Very high	37 Å²	37	41 Å²	41	26%	0.259	21%	0.212	S	C	.	.	H	α-helix	trans	-64.3	-33.3	-175.4	-52.7	0	0	0	0	113.4	I306 L311 E312	I306-S308 PolarHBondContact O-N 3.34Å; I306-S308 VanDerWaalsContact O-N 3.16Å; S308-L311 PolarHBondContact O-N 3.22Å; S308-E312 WeakPolarHBondContact O-CB 3.37Å; S308-E312 PolarHBondContact O-N 3.13Å
309	T	91.5	Very high	95.7	Very high	79 Å²	79	40.7 Å²	40.7	49%	0.485	21%	0.211	S	C	.	.	H	α-helix	trans	-67.1	-45.6	175	-54.8	0	0	0	0	110.5	N307 L311 E312 S313	N307-T309 VanDerWaalsContact C-N 3.31Å; N307-T309 PolarHBondContact O-N 3.08Å; N307-T309 WeakPolarHBondContact OD1-CA 3.49Å; N307-T309 WeakPolarHBondContact OD1-CB 3.3Å; N307-T309 PolarHBondContact OD1-N 2.87Å; T309-L311 VanDerWaalsContact C-N 3.3Å; T309-L311 PolarHBondContact O-N 3.17Å; T309-E312 PolarHBondContact O-N 3.25Å; T309-S313 PolarHBondContact O-N 3.44Å; T309-S313 PolarHBondContact O-OG 3.19Å
310	A	94.5	Very high	95.8	Very high	7 Å²	7	40.5 Å²	40.5	6%	0.058	21%	0.213	C	C	.	.	H	α-helix	trans	-65.6	-35.2	177.4	0	0	0	0	0	112.3	N307 L314 E416 I419	N307-A310 HydrophobicContact CB-CB 3.97Å; N307-A310 PolarHBondContact O-N 3.18Å; N307-A310 PolarHBondContact OD1-N 2.86Å; A310-L314 VanDerWaalsContact O-CB 3.24Å; A310-L314 WeakPolarHBondContact O-CB 3.34Å; A310-L314 PolarHBondContact O-N 2.88Å; A310-E416 VanDerWaalsContact CA-O 3.25Å; A310-E416 WeakPolarHBondContact CA-O 3.41Å; A310-E416 WeakPolarHBondContact CB-O 3.41Å; A310-I419 HydrophobicContact CB-CG2 4.41Å
311	L	96.2	Very high	95.9	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-46.6	173.4	177.9	61.5	0	0	0	111.6	F292 L295 I301 I306 N307 S308 T309 L314 L315 I419	F292-L311 HydrophobicContact CD2-CD2 4Å; F292-L311 HydrophobicContact CD2-CG 4.48Å; F292-L311 HydrophobicContact CE2-CD2 3.93Å; L295-L311 HydrophobicContact CD1-CD1 3.72Å; L295-L311 HydrophobicContact CD1-CD2 3.82Å; L295-L311 HydrophobicContact CD1-CG 4.4Å; I301-L311 HydrophobicContact CD1-CD2 3.95Å; I301-L311 HydrophobicContact CG1-CD2 4.11Å; I306-L311 HydrophobicContact CG2-CB 3.88Å; I306-L311 HydrophobicContact CG2-CD2 4.14Å; I306-L311 HydrophobicContact CG2-CG 4.42Å; N307-L311 WeakPolarHBondContact O-CB 3.42Å; N307-L311 PolarHBondContact O-N 3.2Å; S308-L311 PolarHBondContact O-N 3.22Å; T309-L311 VanDerWaalsContact C-N 3.3Å; T309-L311 PolarHBondContact O-N 3.17Å; L311-L314 PolarHBondContact O-N 3.22Å; L311-L315 HydrophobicContact CD1-CD1 3.96Å; L311-L315 HydrophobicContact CD1-CG 4.1Å; L311-L315 HydrophobicContact CG-CD1 3.98Å; L311-L315 WeakPolarHBondContact O-CB 3.32Å; L311-L315 VanDerWaalsContact O-CG 3.23Å; L311-L315 WeakPolarHBondContact O-CG 3.31Å; L311-L315 PolarHBondContact O-N 3.47Å; L311-I419 HydrophobicContact CB-CG2 4.04Å; L311-I419 HydrophobicContact CD1-CD1 4.34Å; L311-I419 HydrophobicContact CD1-CG2 4.23Å
312	E	93.5	Very high	96	Very high	52 Å²	52	40.2 Å²	40.2	24%	0.243	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-48	176.6	-177.1	170.6	-166.5	0	0	111.5	S308 T309 L314 L315 I316	S308-E312 WeakPolarHBondContact O-CB 3.37Å; S308-E312 PolarHBondContact O-N 3.13Å; T309-E312 PolarHBondContact O-N 3.25Å; E312-L314 VanDerWaalsContact C-N 3.34Å; E312-L314 PolarHBondContact O-N 2.93Å; E312-L315 PolarHBondContact O-N 3.19Å; E312-I316 HydrophobicContact CG-CD1 3.94Å; E312-I316 WeakPolarHBondContact O-CG1 3.17Å; E312-I316 PolarHBondContact O-N 3.44Å
313	S	94.9	Very high	96.2	Very high	26 Å²	26	40.4 Å²	40.4	18%	0.182	22%	0.218	C	C	.	.	H	α-helix	trans	-57.7	-45	175.4	-71.4	0	0	0	0	112	T309 I316 Q317	T309-S313 PolarHBondContact O-N 3.44Å; T309-S313 PolarHBondContact O-OG 3.19Å; S313-I316 PolarHBondContact O-N 3.18Å; S313-Q317 WeakPolarHBondContact O-CB 3.47Å; S313-Q317 PolarHBondContact O-N 3.41Å
314	L	98.4	Very high	96.3	Very high	2 Å²	2	40 Å²	40	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-47.2	177.1	175	63	0	0	0	111.2	A310 L311 E312 I316 Q317 L318 F366 L411 M412 F417 I419	A310-L314 VanDerWaalsContact O-CB 3.24Å; A310-L314 WeakPolarHBondContact O-CB 3.34Å; A310-L314 PolarHBondContact O-N 2.88Å; L311-L314 PolarHBondContact O-N 3.22Å; E312-L314 VanDerWaalsContact C-N 3.34Å; E312-L314 PolarHBondContact O-N 2.93Å; L314-I316 PolarHBondContact O-N 3.44Å; L314-Q317 CarbonylContact O-C 3.46Å; L314-Q317 PolarHBondContact O-N 2.95Å; L314-Q317 VanDerWaalsContact O-N 3.15Å; L314-L318 HydrophobicContact CD1-CD1 4.45Å; L314-L318 HydrophobicContact CD1-CD2 4.41Å; L314-L318 HydrophobicContact CD1-CG 4.15Å; L314-L318 HydrophobicContact CG-CD1 4.28Å; L314-L318 HydrophobicContact CG-CG 4.37Å; L314-L318 VanDerWaalsContact O-CG 3.31Å; L314-L318 WeakPolarHBondContact O-CG 3.39Å; L314-L318 PolarHBondContact O-N 3.4Å; L314-F366 HydrophobicContact CD2-CE2 4.08Å; L314-L411 HydrophobicContact CD1-CD2 3.7Å; L314-L411 HydrophobicContact CD1-CG 4.48Å; L314-M412 HydrophobicContact CD1-CG 4.27Å; L314-M412 HydrophobicContact CD2-CG 4.24Å; L314-M412 HydrophobicContact CD2-SD 4.1Å; L314-F417 HydrophobicContact CB-CB 4.26Å; L314-F417 HydrophobicContact CB-CD1 4.46Å; L314-F417 HydrophobicContact CD1-CB 4.15Å; L314-I419 HydrophobicContact CB-CG2 4.46Å; L314-I419 HydrophobicContact CD2-CD1 3.8Å; L314-I419 HydrophobicContact CD2-CG1 3.89Å; L314-I419 HydrophobicContact CD2-CG2 3.88Å
315	L	98.1	Very high	96.3	Very high	4 Å²	4	44 Å²	44	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-40.9	-178.9	-70.5	171.4	0	0	0	112.1	K288 A291 L311 E312 Q317 L318 E319 V369	K288-L315 HydrophobicContact CB-CB 4.14Å; K288-L315 HydrophobicContact CG-CB 4.01Å; K288-L315 HydrophobicContact CG-CD1 4.19Å; A291-L315 HydrophobicContact CB-CD1 4.05Å; A291-L315 HydrophobicContact CB-CD2 3.51Å; A291-L315 HydrophobicContact CB-CG 4.46Å; L311-L315 HydrophobicContact CD1-CD1 3.96Å; L311-L315 HydrophobicContact CD1-CG 4.1Å; L311-L315 HydrophobicContact CG-CD1 3.98Å; L311-L315 WeakPolarHBondContact O-CB 3.32Å; L311-L315 VanDerWaalsContact O-CG 3.23Å; L311-L315 WeakPolarHBondContact O-CG 3.31Å; L311-L315 PolarHBondContact O-N 3.47Å; E312-L315 PolarHBondContact O-N 3.19Å; L315-Q317 VanDerWaalsContact C-N 3.33Å; L315-Q317 PolarHBondContact O-N 2.86Å; L315-L318 HydrophobicContact CD2-CD1 4.42Å; L315-L318 PolarHBondContact O-N 3.5Å; L315-E319 WeakPolarHBondContact O-CG 3.45Å; L315-E319 PolarHBondContact O-N 2.97Å; L315-V369 HydrophobicContact CD2-CG1 4.32Å
316	I	95.7	Very high	96.3	Very high	67 Å²	67	41.1 Å²	41.1	34%	0.344	23%	0.229	S	C	.	.	H	α-helix	trans	-63.4	-40.6	173.7	-68.2	168.5	0	0	0	111	K288 E312 S313 L314 L318 E319 T320	K288-I316 HydrophobicContact CD-CG1 4.12Å; E312-I316 HydrophobicContact CG-CD1 3.94Å; E312-I316 WeakPolarHBondContact O-CG1 3.17Å; E312-I316 PolarHBondContact O-N 3.44Å; S313-I316 PolarHBondContact O-N 3.18Å; L314-I316 PolarHBondContact O-N 3.44Å; I316-L318 VanDerWaalsContact C-N 3.35Å; I316-E319 PolarHBondContact O-N 3.35Å; I316-T320 PolarHBondContact O-N 3.32Å; I316-T320 PolarHBondContact O-OG1 3.12Å
317	Q	98.3	Very high	96.4	Very high	60 Å²	60	41.4 Å²	41.4	28%	0.28	23%	0.23	S	C	.	.	H	α-helix	trans	-67.7	-35.5	177.4	-174.2	55.4	60.4	0	0	112	S313 L314 L315 T320 G321 L411 F417	S313-Q317 WeakPolarHBondContact O-CB 3.47Å; S313-Q317 PolarHBondContact O-N 3.41Å; L314-Q317 CarbonylContact O-C 3.46Å; L314-Q317 PolarHBondContact O-N 2.95Å; L314-Q317 VanDerWaalsContact O-N 3.15Å; L315-Q317 VanDerWaalsContact C-N 3.33Å; L315-Q317 PolarHBondContact O-N 2.86Å; Q317-T320 WeakPolarHBondContact O-CB 3.16Å; Q317-T320 PolarHBondContact O-N 2.83Å; Q317-G321 PolarHBondContact O-N 3.36Å; Q317-L411 HydrophobicContact CB-CD2 4.16Å; Q317-L411 HydrophobicContact CG-CD1 3.9Å; Q317-L411 HydrophobicContact CG-CD2 3.46Å; Q317-L411 VanDerWaalsContact CG-CD2 3.46Å; Q317-L411 HydrophobicContact CG-CG 4.27Å; Q317-F417 HydrophobicContact CB-CD1 4.32Å; Q317-F417 HydrophobicContact CB-CE1 3.93Å; Q317-F417 HydrophobicContact CB-CZ 4.41Å; Q317-F417 HydrophobicContact CG-CE1 4.24Å; Q317-F417 HydrophobicContact CG-CZ 4.24Å
318	L	98.8	Very high	96.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-48.1	172.1	-69.1	179.3	0	0	0	111.3	L287 L314 L315 I316 T320 G321 Y322 V369 I370 Y373 V408	L287-L318 HydrophobicContact CD2-CB 4.22Å; L314-L318 HydrophobicContact CD1-CD1 4.45Å; L314-L318 HydrophobicContact CD1-CD2 4.41Å; L314-L318 HydrophobicContact CD1-CG 4.15Å; L314-L318 HydrophobicContact CG-CD1 4.28Å; L314-L318 HydrophobicContact CG-CG 4.37Å; L314-L318 VanDerWaalsContact O-CG 3.31Å; L314-L318 WeakPolarHBondContact O-CG 3.39Å; L314-L318 PolarHBondContact O-N 3.4Å; L315-L318 HydrophobicContact CD2-CD1 4.42Å; L315-L318 PolarHBondContact O-N 3.5Å; I316-L318 VanDerWaalsContact C-N 3.35Å; L318-T320 VanDerWaalsContact C-N 3.25Å; L318-T320 PolarHBondContact O-N 3.03Å; L318-G321 PolarHBondContact O-N 3.45Å; L318-Y322 WeakPolarHBondContact O-CD2 3.34Å; L318-Y322 PolarHBondContact O-N 3Å; L318-V369 HydrophobicContact CD1-CG1 3.44Å; L318-V369 VanDerWaalsContact CD1-CG1 3.44Å; L318-I370 HydrophobicContact CD1-CG2 4.11Å; L318-I370 HydrophobicContact CD2-CG2 4.34Å; L318-Y373 HydrophobicContact CB-CD2 4.41Å; L318-Y373 HydrophobicContact CD2-CD2 3.45Å; L318-Y373 VanDerWaalsContact CD2-CD2 3.45Å; L318-Y373 HydrophobicContact CD2-CE2 3.74Å; L318-Y373 HydrophobicContact CD2-CG 3.95Å; L318-V408 HydrophobicContact CD2-CG1 4.21Å; L318-V408 HydrophobicContact CD2-CG2 3.66Å
319	E	98.4	Very high	97	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.028	20%	0.203	C	C	.	.	H	α-helix	trans	-57.5	-39	175.5	-72.7	176.1	157.5	0	0	112.2	H285 L287 K288 L315 I316 Y322 S323 L332	H285-E319 VanDerWaalsContact C-OE1 3.24Å; H285-E319 WeakPolarHBondContact CA-OE1 3.36Å; H285-E319 IonicContact CE1-OE2 3.91Å; H285-E319 IonicContact CG-OE2 3.93Å; H285-E319 IonicContact ND1-OE1 3.6Å; H285-E319 IonicContact ND1-OE2 3.83Å; H285-E319 PolarHBondContact ND1-OE2 2.89Å; L287-E319 HydrophobicContact CB-CG 3.94Å; L287-E319 HydrophobicContact CD2-CG 4.12Å; L287-E319 HydrophobicContact CG-CG 4.45Å; K288-E319 WeakPolarHBondContact CB-OE1 3.4Å; K288-E319 PolarHBondContact N-OE1 3.03Å; L315-E319 WeakPolarHBondContact O-CG 3.45Å; L315-E319 PolarHBondContact O-N 2.97Å; I316-E319 PolarHBondContact O-N 3.35Å; E319-Y322 PolarHBondContact O-N 3.4Å; E319-S323 WeakPolarHBondContact O-CB 3.32Å; E319-S323 PolarHBondContact O-N 3.49Å; E319-S323 PolarHBondContact O-OG 3.49Å; E319-L332 HydrophobicContact CB-CD2 4.11Å; E319-L332 HydrophobicContact CG-CB 4.19Å; E319-L332 HydrophobicContact CG-CD2 4.12Å
320	T	97.9	Very high	97.3	Very high	77 Å²	77	33 Å²	33	47%	0.472	18%	0.18	S	C	.	.	H	α-helix	trans	-62.2	-45	173.9	-59.4	0	0	0	0	111.6	I316 Q317 L318 S323 K324	I316-T320 PolarHBondContact O-N 3.32Å; I316-T320 PolarHBondContact O-OG1 3.12Å; Q317-T320 WeakPolarHBondContact O-CB 3.16Å; Q317-T320 PolarHBondContact O-N 2.83Å; L318-T320 VanDerWaalsContact C-N 3.25Å; L318-T320 PolarHBondContact O-N 3.03Å; T320-S323 PolarHBondContact O-N 3.48Å; T320-K324 PolarHBondContact O-N 2.9Å
321	G	98.3	Very high	97.5	Very high	2 Å²	2	34 Å²	34	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-67.7	-37.4	177.9	0	0	0	0	0	113.6	Q317 L318 S323 K324	Q317-G321 PolarHBondContact O-N 3.36Å; L318-G321 PolarHBondContact O-N 3.45Å; G321-S323 VanDerWaalsContact C-N 3.27Å; G321-S323 PolarHBondContact O-N 3.4Å; G321-K324 WeakPolarHBondContact O-CB 3.19Å; G321-K324 PolarHBondContact O-N 2.86Å
322	Y	98.7	Very high	97.6	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-31.4	171.4	-82.3	-67.7	0	0	0	112.9	L287 L318 E319 L332 A335 V369 D372 Y373	L287-Y322 HydrophobicContact CD2-CD2 3.66Å; L287-Y322 HydrophobicContact CD2-CE2 3.65Å; L318-Y322 WeakPolarHBondContact O-CD2 3.34Å; L318-Y322 PolarHBondContact O-N 3Å; E319-Y322 PolarHBondContact O-N 3.4Å; Y322-L332 HydrophobicContact CD2-CB 4.42Å; Y322-L332 HydrophobicContact CG-CB 4.33Å; Y322-A335 HydrophobicContact CD2-CB 4.38Å; Y322-A335 HydrophobicContact CE1-CB 3.88Å; Y322-A335 HydrophobicContact CE2-CB 3.68Å; Y322-A335 WeakPolarHBondContact OH-CB 3.46Å; Y322-V369 WeakPolarHBondContact CE2-O 3.44Å; Y322-V369 PolarHBondContact OH-O 2.86Å; Y322-D372 HydrophobicContact CE1-CB 3.62Å; Y322-D372 VanDerWaalsContact CE1-O 3.24Å; Y322-D372 WeakPolarHBondContact CE1-O 3.36Å; Y322-D372 PolarHBondContact OH-N 3.41Å; Y322-Y373 PolarHBondContact OH-N 3.03Å
323	S	97.3	Very high	97.9	Very high	62 Å²	62	32.1 Å²	32.1	43%	0.434	18%	0.177	S	C	.	.	H	α-helix	trans	-84.3	-13.5	179.8	-57.1	0	0	0	0	113.5	E319 T320 G321 Y325 S326	E319-S323 WeakPolarHBondContact O-CB 3.32Å; E319-S323 PolarHBondContact O-N 3.49Å; E319-S323 PolarHBondContact O-OG 3.49Å; T320-S323 PolarHBondContact O-N 3.48Å; G321-S323 VanDerWaalsContact C-N 3.27Å; G321-S323 PolarHBondContact O-N 3.4Å; S323-Y325 VanDerWaalsContact C-N 3.26Å; S323-Y325 PolarHBondContact O-N 2.91Å; S323-Y325 VanDerWaalsContact O-N 3.1Å; S323-S326 PolarHBondContact O-N 3.27Å
324	K	97.4	Very high	98.1	Very high	104 Å²	104	31 Å²	31	45%	0.452	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-39.7	-172	-177.3	176.9	178.3	-174.7	0	114.4	T320 G321 E374	T320-K324 PolarHBondContact O-N 2.9Å; G321-K324 WeakPolarHBondContact O-CB 3.19Å; G321-K324 PolarHBondContact O-N 2.86Å; K324-E374 HydrophobicContact CD-CG 4.16Å; K324-E374 WeakPolarHBondContact CD-OE1 3.39Å; K324-E374 IonicContact NZ-OE1 3.96Å; K324-E374 PolarHBondContact NZ-OE1 3.1Å; K324-E374 IonicContact NZ-OE2 3.79Å
325	Y	97.4	Very high	98.1	Very high	89 Å²	89	30.9 Å²	30.9	35%	0.349	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	3	-176.5	-62	-77.7	0	0	0	113.8	S323 N327 E374 H375 T376	S323-Y325 VanDerWaalsContact C-N 3.26Å; S323-Y325 PolarHBondContact O-N 2.91Å; S323-Y325 VanDerWaalsContact O-N 3.1Å; Y325-N327 VanDerWaalsContact C-N 3.25Å; Y325-N327 WeakPolarHBondContact CB-OD1 3.13Å; Y325-N327 PolarHBondContact O-N 3.45Å; Y325-E374 HydrophobicContact CE2-CB 4.48Å; Y325-E374 WeakPolarHBondContact CE2-O 3.29Å; Y325-H375 WeakPolarHBondContact CD2-O 3.3Å; Y325-T376 HydrophobicContact CE2-CG2 4.07Å
326	S	96.9	Very high	98.1	Very high	92 Å²	92	30.7 Å²	30.7	64%	0.643	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	45.2	-178.6	-57.9	0	0	0	0	112.7	S323 R502	S323-S326 PolarHBondContact O-N 3.27Å; S326-R502 PolarHBondContact O-NH1 2.95Å
327	N	98.2	Very high	98.3	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.064	15%	0.151	C	C	.	.			trans	-70.2	131.8	-179	-68	-19.3	0	0	0	111.1	Y325 H330 N331 H375 G377 E499	Y325-N327 VanDerWaalsContact C-N 3.25Å; Y325-N327 WeakPolarHBondContact CB-OD1 3.13Å; Y325-N327 PolarHBondContact O-N 3.45Å; N327-H330 HydrophobicContact CB-CB 4.46Å; N327-H330 VanDerWaalsContact CB-O 3.31Å; N327-H330 WeakPolarHBondContact CB-O 3.48Å; N327-H330 PolarHBondContact ND2-O 3.46Å; N327-N331 PolarHBondContact O-ND2 2.88Å; N327-N331 VanDerWaalsContact O-ND2 3.15Å; N327-H375 PolarHBondContact ND2-O 3.48Å; N327-G377 PolarHBondContact ND2-N 2.97Å; N327-G377 VanDerWaalsContact OD1-CA 3.31Å; N327-G377 WeakPolarHBondContact OD1-CA 3.42Å; N327-G377 PolarHBondContact OD1-N 3.22Å; N327-E499 WeakPolarHBondContact CB-OE2 3.23Å
328	P	98.3	Very high	98.3	Very high	23 Å²	23	24.8 Å²	24.8	15%	0.149	14%	0.138	C	C	.	.	S	Bend	trans	-62.2	-41	173.2	-23.5	34	0	0	0	113.8	N331 I495 E498 E499	P328-N331 PolarHBondContact O-ND2 3.3Å; P328-I495 HydrophobicContact CB-CB 4.1Å; P328-I495 WeakPolarHBondContact CB-O 3.25Å; P328-I495 WeakPolarHBondContact O-CD1 3.35Å; P328-E498 HydrophobicContact CB-CG 4.33Å; P328-E498 HydrophobicContact CG-CG 3.93Å; P328-E499 HydrophobicContact CB-CB 4.23Å; P328-E499 HydrophobicContact CG-CB 4.08Å
329	Y	98.7	Very high	98.3	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.008	14%	0.138	C	C	.	.	S	Bend	trans	-106	-58	-175.4	-179	-86.5	0	0	0	112.1	N331 H334 W492 I495 L496 E499	Y329-N331 PolarHBondContact O-N 2.99Å; Y329-H334 AromaticContact CE1-CE1 3.69Å; Y329-H334 AromaticContact CE1-ND1 3.75Å; Y329-H334 AromaticContact CE1-NE2 3.91Å; Y329-H334 AromaticContact CZ-CE1 3.78Å; Y329-H334 AromaticContact CZ-ND1 3.72Å; Y329-H334 VanDerWaalsContact O-CB 3.23Å; Y329-H334 WeakPolarHBondContact O-CB 3.45Å; Y329-H334 PolarHBondContact OH-CE1 3.43Å; Y329-W492 AromaticContact CD2-CE3 3.7Å; Y329-W492 HydrophobicContact CD2-CE3 3.7Å; Y329-W492 HydrophobicContact CD2-CZ3 4.15Å; Y329-W492 HydrophobicContact CE2-CD2 4.45Å; Y329-W492 AromaticContact CE2-CE3 3.61Å; Y329-W492 HydrophobicContact CE2-CE3 3.61Å; Y329-W492 HydrophobicContact CE2-CZ3 4.25Å; Y329-I495 HydrophobicContact CD2-CG1 4.17Å; Y329-L496 HydrophobicContact CD1-CD1 3.89Å; Y329-L496 HydrophobicContact CD2-CB 3.53Å; Y329-L496 HydrophobicContact CD2-CD1 3.83Å; Y329-L496 HydrophobicContact CD2-CG 4.18Å; Y329-L496 HydrophobicContact CE1-CD1 4.21Å; Y329-L496 HydrophobicContact CE2-CB 4Å; Y329-L496 HydrophobicContact CE2-CD1 4.13Å; Y329-L496 HydrophobicContact CE2-CD2 4.38Å; Y329-L496 HydrophobicContact CE2-CG 4.39Å; Y329-L496 HydrophobicContact CG-CB 4.11Å; Y329-L496 HydrophobicContact CG-CD1 3.69Å; Y329-L496 HydrophobicContact CG-CG 4.49Å; Y329-E499 PolarHBondContact N-OE2 3.48Å
330	H	98.7	Very high	98.3	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.009	14%	0.137	C	C	.	.	S	Bend	trans	-78.5	72.5	-175.2	-60.5	85.7	0	0	0	111.1	S3 N327 D372 H375 E499	S3-H330 VanDerWaalsContact CB-NE2 3.29Å; S3-H330 WeakPolarHBondContact CB-NE2 3.42Å; S3-H330 PolarHBondContact O-CE1 2.93Å; S3-H330 PolarHBondContact O-NE2 2.88Å; N327-H330 HydrophobicContact CB-CB 4.46Å; N327-H330 VanDerWaalsContact CB-O 3.31Å; N327-H330 WeakPolarHBondContact CB-O 3.48Å; N327-H330 PolarHBondContact ND2-O 3.46Å; H330-D372 IonicContact CD2-OD2 3.35Å; H330-D372 PolarHBondContact CD2-OD2 3.4Å; H330-H375 HydrophobicContact CB-CB 3.66Å; H330-H375 WeakPolarHBondContact CB-ND1 3.21Å; H330-H375 AromaticContact CD2-CD2 3.65Å; H330-H375 AromaticContact CD2-CE1 3.67Å; H330-H375 AromaticContact CD2-CG 3.78Å; H330-H375 AromaticContact CD2-ND1 3.78Å; H330-H375 AromaticContact CD2-NE2 3.63Å; H330-H375 AromaticContact CE1-CE1 3.59Å; H330-H375 AromaticContact CE1-NE2 3.98Å; H330-H375 AromaticContact CG-CD2 3.96Å; H330-H375 AromaticContact CG-CE1 3.53Å; H330-H375 AromaticContact CG-CG 3.63Å; H330-H375 AromaticContact CG-ND1 3.32Å; H330-H375 VanDerWaalsContact CG-ND1 3.32Å; H330-H375 AromaticContact CG-NE2 3.95Å; H330-H375 AromaticContact ND1-CE1 3.46Å; H330-H375 PolarHBondContact ND1-CE1 2.97Å; H330-H375 AromaticContact ND1-ND1 3.56Å; H330-H375 AromaticContact NE2-CE1 3.74Å; H330-H375 AromaticContact NE2-NE2 3.69Å; H330-E499 IonicContact CE1-OE1 3.97Å; H330-E499 PolarHBondContact CE1-OE1 2.91Å; H330-E499 IonicContact CG-OE1 3.22Å; H330-E499 PolarHBondContact N-OE2 3.05Å; H330-E499 VanDerWaalsContact N-OE2 3.08Å; H330-E499 IonicContact ND1-OE1 2.69Å; H330-E499 PolarHBondContact ND1-OE1 3.4Å; H330-E499 IonicContact ND1-OE2 3.8Å
331	N	98.4	Very high	98.4	Very high	28 Å²	28	21 Å²	21	15%	0.15	12%	0.115	C	C	.	.	S	Bend	trans	-132.6	-175.2	-177.7	63.8	47.7	0	0	0	111.4	N327 P328 Y329 V333 H334 A335	N327-N331 PolarHBondContact O-ND2 2.88Å; N327-N331 VanDerWaalsContact O-ND2 3.15Å; P328-N331 PolarHBondContact O-ND2 3.3Å; Y329-N331 PolarHBondContact O-N 2.99Å; N331-V333 PolarHBondContact O-N 2.69Å; N331-V333 VanDerWaalsContact OD1-CB 3.28Å; N331-V333 WeakPolarHBondContact OD1-CB 3.23Å; N331-V333 PolarHBondContact OD1-N 3.45Å; N331-H334 WeakPolarHBondContact O-CB 3.46Å; N331-H334 PolarHBondContact O-N 3.34Å; N331-H334 VanDerWaalsContact O-N 3.15Å; N331-H334 PolarHBondContact OD1-N 3.36Å; N331-A335 PolarHBondContact O-N 2.89Å
332	L	98.5	Very high	98.4	Very high	7 Å²	7	20.9 Å²	20.9	4%	0.037	11%	0.114	C	C	.	.	H	α-helix	trans	-64.8	-27.5	-174.2	72.5	91.1	0	0	0	113.3	N279 N284 A286 L287 E319 Y322 H334 A335 A336	N279-L332 VanDerWaalsContact OD1-CD1 3.3Å; N279-L332 WeakPolarHBondContact OD1-CD1 3.3Å; N284-L332 HydrophobicContact CB-CD2 4.46Å; N284-L332 VanDerWaalsContact O-CD2 3.27Å; N284-L332 WeakPolarHBondContact O-CD2 3.32Å; A286-L332 HydrophobicContact CB-CD1 4.1Å; L287-L332 HydrophobicContact CB-CB 4.02Å; L287-L332 HydrophobicContact CB-CD1 4.18Å; L287-L332 HydrophobicContact CD2-CB 4.25Å; E319-L332 HydrophobicContact CB-CD2 4.11Å; E319-L332 HydrophobicContact CG-CB 4.19Å; E319-L332 HydrophobicContact CG-CD2 4.12Å; Y322-L332 HydrophobicContact CD2-CB 4.42Å; Y322-L332 HydrophobicContact CG-CB 4.33Å; L332-H334 VanDerWaalsContact C-N 3.35Å; L332-A335 PolarHBondContact O-N 3.43Å; L332-A336 WeakPolarHBondContact O-CB 3.42Å; L332-A336 PolarHBondContact O-N 3.48Å
333	V	98.8	Very high	98.4	Very high	8 Å²	8	20.8 Å²	20.8	5%	0.048	11%	0.113	C	C	.	.	H	α-helix	trans	-68.3	-40.8	177.5	-171.4	0	0	0	0	109.5	V275 F276 N279 N331 A336 D337 W492	V275-V333 HydrophobicContact CB-CG1 4.37Å; V275-V333 HydrophobicContact CG1-CG1 3.87Å; V275-V333 HydrophobicContact CG2-CG1 3.84Å; F276-V333 HydrophobicContact CD1-CG1 3.8Å; F276-V333 HydrophobicContact CE1-CG1 3.94Å; F276-V333 HydrophobicContact CG-CG1 4.42Å; N279-V333 HydrophobicContact CB-CG1 4.46Å; N279-V333 HydrophobicContact CB-CG2 3.81Å; N331-V333 PolarHBondContact O-N 2.69Å; N331-V333 VanDerWaalsContact OD1-CB 3.28Å; N331-V333 WeakPolarHBondContact OD1-CB 3.23Å; N331-V333 PolarHBondContact OD1-N 3.45Å; V333-A336 PolarHBondContact O-N 2.92Å; V333-D337 WeakPolarHBondContact O-CB 3.44Å; V333-D337 PolarHBondContact O-N 3.4Å; V333-W492 HydrophobicContact CB-CH2 4.15Å; V333-W492 HydrophobicContact CG1-CH2 3.9Å; V333-W492 HydrophobicContact CG1-CZ2 4.1Å
334	H	98.8	Very high	98.4	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-63	-48.3	176.1	174.7	60.3	0	0	0	110.8	Y329 N331 L332 A336 D337 V338 H371 D372 D478 W492	Y329-H334 AromaticContact CE1-CE1 3.69Å; Y329-H334 AromaticContact CE1-ND1 3.75Å; Y329-H334 AromaticContact CE1-NE2 3.91Å; Y329-H334 AromaticContact CZ-CE1 3.78Å; Y329-H334 AromaticContact CZ-ND1 3.72Å; Y329-H334 VanDerWaalsContact O-CB 3.23Å; Y329-H334 WeakPolarHBondContact O-CB 3.45Å; Y329-H334 PolarHBondContact OH-CE1 3.43Å; N331-H334 WeakPolarHBondContact O-CB 3.46Å; N331-H334 PolarHBondContact O-N 3.34Å; N331-H334 VanDerWaalsContact O-N 3.15Å; N331-H334 PolarHBondContact OD1-N 3.36Å; L332-H334 VanDerWaalsContact C-N 3.35Å; H334-A336 VanDerWaalsContact C-N 3.27Å; H334-A336 PolarHBondContact O-N 3.22Å; H334-D337 WeakPolarHBondContact O-CB 3.25Å; H334-D337 PolarHBondContact O-N 3.36Å; H334-V338 VanDerWaalsContact CE1-CG2 3.41Å; H334-V338 WeakPolarHBondContact CE1-CG2 3.47Å; H334-V338 WeakPolarHBondContact O-CG2 3.34Å; H334-V338 PolarHBondContact O-N 3.14Å; H334-H371 AromaticContact CD2-CE1 3.93Å; H334-H371 AromaticContact CD2-NE2 3.96Å; H334-H371 AromaticContact NE2-CE1 3.67Å; H334-H371 AromaticContact NE2-NE2 3.36Å; H334-H371 PolarHBondContact NE2-NE2 2.91Å; H334-D372 IonicContact CD2-OD2 3.53Å; H334-D372 PolarHBondContact CD2-OD2 3.13Å; H334-D372 IonicContact NE2-OD2 3.99Å; H334-D372 PolarHBondContact NE2-OD2 3.39Å; H334-D478 IonicContact CE1-OD1 2.9Å; H334-D478 PolarHBondContact CE1-OD1 2.92Å; H334-D478 IonicContact NE2-OD1 2.82Å; H334-D478 PolarHBondContact NE2-OD1 3.22Å; H334-W492 VanDerWaalsContact CA-CH2 3.46Å; H334-W492 HydrophobicContact CB-CH2 3.85Å; H334-W492 HydrophobicContact CB-CZ3 3.86Å
335	A	98.8	Very high	98.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.4	-38.7	176.4	0	0	0	0	0	113.1	L287 Y322 N331 L332 M339	L287-A335 HydrophobicContact CD1-CB 3.76Å; L287-A335 HydrophobicContact CD2-CB 4.18Å; Y322-A335 HydrophobicContact CD2-CB 4.38Å; Y322-A335 HydrophobicContact CE1-CB 3.88Å; Y322-A335 HydrophobicContact CE2-CB 3.68Å; Y322-A335 WeakPolarHBondContact OH-CB 3.46Å; N331-A335 PolarHBondContact O-N 2.89Å; L332-A335 PolarHBondContact O-N 3.43Å; A335-M339 WeakPolarHBondContact O-CB 3.39Å; A335-M339 PolarHBondContact O-N 3.18Å
336	A	98.8	Very high	98.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.6	-42	174.7	0	0	0	0	0	111.7	V275 A286 L287 V290 L332 V333 H334 M339 Q340	V275-A336 HydrophobicContact CG2-CB 3.81Å; A286-A336 HydrophobicContact CB-CB 4.27Å; L287-A336 HydrophobicContact CB-CB 4.4Å; L287-A336 HydrophobicContact CD1-CB 4.36Å; V290-A336 HydrophobicContact CB-CB 4.38Å; V290-A336 HydrophobicContact CG2-CB 4.27Å; L332-A336 WeakPolarHBondContact O-CB 3.42Å; L332-A336 PolarHBondContact O-N 3.48Å; V333-A336 PolarHBondContact O-N 2.92Å; H334-A336 VanDerWaalsContact C-N 3.27Å; H334-A336 PolarHBondContact O-N 3.22Å; A336-M339 PolarHBondContact O-N 3.2Å; A336-Q340 WeakPolarHBondContact O-CB 3.33Å; A336-Q340 PolarHBondContact O-N 2.93Å
337	D	98.8	Very high	98.4	Very high	3 Å²	3	8.8 Å²	8.8	2%	0.016	4%	0.044	C	C	.	.	H	α-helix	trans	-64.5	-43.5	178.5	-166.3	62.7	0	0	0	112.3	V275 V333 H334 Q340 T341 K484 W492	V275-D337 HydrophobicContact CG1-CB 4.07Å; V275-D337 HydrophobicContact CG2-CB 4.33Å; V333-D337 WeakPolarHBondContact O-CB 3.44Å; V333-D337 PolarHBondContact O-N 3.4Å; H334-D337 WeakPolarHBondContact O-CB 3.25Å; H334-D337 PolarHBondContact O-N 3.36Å; D337-Q340 PolarHBondContact O-N 3.27Å; D337-T341 WeakPolarHBondContact O-CB 3.41Å; D337-T341 PolarHBondContact O-N 3.44Å; D337-T341 PolarHBondContact O-OG1 3.28Å; D337-K484 IonicContact OD1-NZ 3.17Å; D337-K484 PolarHBondContact OD1-NZ 2.8Å; D337-K484 IonicContact OD2-NZ 2.75Å; D337-K484 PolarHBondContact OD2-NZ 3Å; D337-W492 HydrophobicContact CB-CZ2 3.82Å
338	V	98.9	Very high	98.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.1	-45.7	176	178.7	0	0	0	0	110.6	H334 Q340 T341 C342 A368 A477 D478	H334-V338 VanDerWaalsContact CE1-CG2 3.41Å; H334-V338 WeakPolarHBondContact CE1-CG2 3.47Å; H334-V338 WeakPolarHBondContact O-CG2 3.34Å; H334-V338 PolarHBondContact O-N 3.14Å; V338-Q340 PolarHBondContact O-N 3.37Å; V338-T341 PolarHBondContact O-N 2.91Å; V338-C342 WeakPolarHBondContact O-CB 3.25Å; V338-C342 PolarHBondContact O-N 2.94Å; V338-C342 PolarHBondContact O-SG 3.32Å; V338-A368 HydrophobicContact CG1-CB 3.98Å; V338-A477 HydrophobicContact CG1-CB 3.89Å; V338-D478 HydrophobicContact CG1-CB 4.47Å; V338-D478 HydrophobicContact CG2-CB 4.37Å
339	M	98.8	Very high	98.1	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.01	4%	0.043	C	C	.	.	H	α-helix	trans	-61.2	-45.1	177.1	-170.4	-165.5	-163.6	0	0	112	V290 A291 L294 A335 A336 T341 C342 H343 L365 A368 V369	V290-M339 HydrophobicContact CG1-SD 3.96Å; A291-M339 WeakPolarHBondContact CA-SD 3.32Å; A291-M339 HydrophobicContact CB-CE 3.9Å; A291-M339 HydrophobicContact CB-SD 3.73Å; L294-M339 HydrophobicContact CB-CE 4.09Å; L294-M339 HydrophobicContact CD1-CE 4.19Å; L294-M339 HydrophobicContact CD1-CG 3.84Å; L294-M339 HydrophobicContact CD1-SD 3.88Å; A335-M339 WeakPolarHBondContact O-CB 3.39Å; A335-M339 PolarHBondContact O-N 3.18Å; A336-M339 PolarHBondContact O-N 3.2Å; M339-T341 VanDerWaalsContact C-N 3.34Å; M339-C342 WeakPolarHBondContact O-CB 3.29Å; M339-C342 PolarHBondContact O-N 3.02Å; M339-H343 PolarHBondContact O-N 2.95Å; M339-L365 HydrophobicContact CE-CB 3.64Å; M339-L365 HydrophobicContact CE-CD1 4.29Å; M339-L365 HydrophobicContact CE-CD2 4.02Å; M339-L365 HydrophobicContact CE-CG 4.19Å; M339-L365 HydrophobicContact CG-CD2 3.93Å; M339-A368 HydrophobicContact CB-CB 4.05Å; M339-A368 HydrophobicContact CG-CB 4.4Å; M339-V369 HydrophobicContact CB-CG2 4.1Å; M339-V369 HydrophobicContact CE-CG2 3.6Å; M339-V369 HydrophobicContact CG-CG2 3.79Å; M339-V369 HydrophobicContact SD-CG2 3.17Å; M339-V369 WeakPolarHBondContact SD-CG2 3.2Å
340	Q	98.7	Very high	97.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-65.7	-38	178.1	-171.5	-83.4	-19.4	0	0	111.7	L268 T270 F273 V290 A336 D337 V338 H343 M344	L268-Q340 HydrophobicContact CD1-CG 3.78Å; L268-Q340 PolarHBondContact O-NE2 3.28Å; T270-Q340 PolarHBondContact O-NE2 3.29Å; F273-Q340 HydrophobicContact CB-CG 4.14Å; F273-Q340 HydrophobicContact CD1-CB 4.28Å; F273-Q340 HydrophobicContact CD1-CG 3.66Å; F273-Q340 HydrophobicContact CE1-CG 4.38Å; F273-Q340 HydrophobicContact CG-CG 4.09Å; V290-Q340 HydrophobicContact CG1-CB 4.29Å; A336-Q340 WeakPolarHBondContact O-CB 3.33Å; A336-Q340 PolarHBondContact O-N 2.93Å; D337-Q340 PolarHBondContact O-N 3.27Å; V338-Q340 PolarHBondContact O-N 3.37Å; Q340-H343 CarbonylContact O-C 3.56Å; Q340-H343 WeakPolarHBondContact O-CA 3.4Å; Q340-H343 VanDerWaalsContact O-CB 3.32Å; Q340-H343 WeakPolarHBondContact O-CB 3.16Å; Q340-H343 PolarHBondContact O-N 3.41Å; Q340-M344 WeakPolarHBondContact O-CG 3.32Å; Q340-M344 PolarHBondContact O-N 2.78Å
341	T	98.8	Very high	97.6	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.006	6%	0.059	C	C	.	.	H	α-helix	trans	-67.9	-41.1	177.3	-53.7	0	0	0	0	111.5	W271 D337 V338 M339 H343 M344 I345 A477 K484	W271-T341 HydrophobicContact CH2-CG2 4.06Å; W271-T341 HydrophobicContact CZ3-CG2 4.4Å; D337-T341 WeakPolarHBondContact O-CB 3.41Å; D337-T341 PolarHBondContact O-N 3.44Å; D337-T341 PolarHBondContact O-OG1 3.28Å; V338-T341 PolarHBondContact O-N 2.91Å; M339-T341 VanDerWaalsContact C-N 3.34Å; T341-H343 VanDerWaalsContact C-N 3.3Å; T341-H343 PolarHBondContact O-N 3.48Å; T341-M344 PolarHBondContact O-N 3.04Å; T341-I345 HydrophobicContact CG2-CD1 4.27Å; T341-I345 WeakPolarHBondContact O-CG1 3.15Å; T341-I345 PolarHBondContact O-N 3.49Å; T341-A477 HydrophobicContact CG2-CB 3.9Å; T341-K484 PolarHBondContact OG1-NZ 3.38Å
342	C	98.8	Very high	97.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-56.9	-44.8	169.6	-77.8	0	0	0	0	111.4	V338 M339 M344 I345 I346 V364 I473 A477	V338-C342 WeakPolarHBondContact O-CB 3.25Å; V338-C342 PolarHBondContact O-N 2.94Å; V338-C342 PolarHBondContact O-SG 3.32Å; M339-C342 WeakPolarHBondContact O-CB 3.29Å; M339-C342 PolarHBondContact O-N 3.02Å; C342-M344 PolarHBondContact O-N 2.85Å; C342-I345 PolarHBondContact O-N 2.83Å; C342-I346 WeakPolarHBondContact O-CG1 3.38Å; C342-I346 PolarHBondContact O-N 3.04Å; C342-I346 VanDerWaalsContact O-N 3.08Å; C342-V364 HydrophobicContact CB-CG1 3.9Å; C342-I473 HydrophobicContact CB-CG2 4.48Å; C342-A477 WeakPolarHBondContact SG-CB 3.43Å
343	H	98.5	Very high	96.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.9	-47.7	174.1	163.5	67.6	0	0	0	111.5	D269 L294 Y298 M339 Q340 T341 I345 I346 F347 L365	D269-H343 IonicContact OD1-CE1 3.97Å; D269-H343 IonicContact OD1-NE2 3.54Å; D269-H343 PolarHBondContact OD1-NE2 3.28Å; D269-H343 VanDerWaalsContact OD1-NE2 3.17Å; L294-H343 HydrophobicContact CD1-CB 3.83Å; L294-H343 HydrophobicContact CD2-CB 3.79Å; L294-H343 HydrophobicContact CG-CB 4.48Å; Y298-H343 AromaticContact CE2-ND1 3.39Å; Y298-H343 WeakPolarHBondContact CE2-ND1 3.3Å; Y298-H343 AromaticContact CZ-ND1 3.4Å; Y298-H343 PolarHBondContact OH-ND1 2.88Å; M339-H343 PolarHBondContact O-N 2.95Å; Q340-H343 CarbonylContact O-C 3.56Å; Q340-H343 WeakPolarHBondContact O-CA 3.4Å; Q340-H343 VanDerWaalsContact O-CB 3.32Å; Q340-H343 WeakPolarHBondContact O-CB 3.16Å; Q340-H343 PolarHBondContact O-N 3.41Å; T341-H343 VanDerWaalsContact C-N 3.3Å; T341-H343 PolarHBondContact O-N 3.48Å; H343-I345 PolarHBondContact O-N 3.33Å; H343-I346 PolarHBondContact O-N 3.43Å; H343-F347 AromaticContact CE1-CG 3.93Å; H343-F347 WeakPolarHBondContact O-CB 3.31Å; H343-F347 PolarHBondContact O-N 3.48Å; H343-L365 HydrophobicContact CB-CD2 4.47Å
344	M	98.3	Very high	96.2	Very high	10 Å²	10	24.8 Å²	24.8	5%	0.049	12%	0.117	C	C	.	.	H	α-helix	trans	-60.4	-43.8	179.2	-75.3	-56.4	-55.8	0	0	112.7	T270 W271 Q340 T341 C342 I346 F347 M348	T270-M344 VanDerWaalsContact C-SD 3.6Å; T270-M344 PolarHBondContact N-SD 2.93Å; T270-M344 VanDerWaalsContact N-SD 3.43Å; W271-M344 HydrophobicContact CB-CE 4.43Å; W271-M344 HydrophobicContact CE3-CB 3.77Å; W271-M344 HydrophobicContact CE3-CG 4.44Å; W271-M344 HydrophobicContact CZ3-CB 3.94Å; Q340-M344 WeakPolarHBondContact O-CG 3.32Å; Q340-M344 PolarHBondContact O-N 2.78Å; T341-M344 PolarHBondContact O-N 3.04Å; C342-M344 PolarHBondContact O-N 2.85Å; M344-I346 VanDerWaalsContact C-N 3.3Å; M344-I346 PolarHBondContact O-N 3.34Å; M344-F347 PolarHBondContact O-N 2.98Å; M344-M348 WeakPolarHBondContact O-CB 3.35Å; M344-M348 WeakPolarHBondContact O-CG 3.49Å; M344-M348 PolarHBondContact O-N 3.32Å
345	I	98.2	Very high	96	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.9	-42.1	176.4	-66.6	164.8	0	0	0	110.9	W271 T341 C342 H343 M348 N349 I473 L544 I548	W271-I345 HydrophobicContact CH2-CG1 4.1Å; W271-I345 HydrophobicContact CZ3-CG1 3.96Å; T341-I345 HydrophobicContact CG2-CD1 4.27Å; T341-I345 WeakPolarHBondContact O-CG1 3.15Å; T341-I345 PolarHBondContact O-N 3.49Å; C342-I345 PolarHBondContact O-N 2.83Å; H343-I345 PolarHBondContact O-N 3.33Å; I345-M348 HydrophobicContact CG1-CE 4.48Å; I345-N349 WeakPolarHBondContact O-CB 3.39Å; I345-N349 PolarHBondContact O-ND2 3.25Å; I345-I473 HydrophobicContact CB-CG2 4.28Å; I345-I473 HydrophobicContact CD1-CG2 4.12Å; I345-I473 HydrophobicContact CG2-CD1 4.36Å; I345-I473 HydrophobicContact CG2-CG1 4.12Å; I345-I473 HydrophobicContact CG2-CG2 4.08Å; I345-L544 HydrophobicContact CD1-CD2 3.91Å; I345-L544 HydrophobicContact CG1-CD2 4.41Å; I345-L544 HydrophobicContact CG2-CD1 4.5Å; I345-I548 HydrophobicContact CG2-CD1 3.85Å
346	I	97.9	Very high	96	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-68.8	-45.9	177.5	-67.9	167.5	0	0	0	111.3	Y298 C342 H343 M344 D350 L351 R352 L356 V364	Y298-I346 HydrophobicContact CE1-CG2 4.45Å; Y298-I346 WeakPolarHBondContact OH-CG2 3.38Å; C342-I346 WeakPolarHBondContact O-CG1 3.38Å; C342-I346 PolarHBondContact O-N 3.04Å; C342-I346 VanDerWaalsContact O-N 3.08Å; H343-I346 PolarHBondContact O-N 3.43Å; M344-I346 VanDerWaalsContact C-N 3.3Å; M344-I346 PolarHBondContact O-N 3.34Å; I346-D350 PolarHBondContact O-N 2.96Å; I346-L351 HydrophobicContact CG2-CB 4.32Å; I346-L351 PolarHBondContact O-N 3.22Å; I346-L351 VanDerWaalsContact O-N 3.11Å; I346-R352 HydrophobicContact CG2-CB 4.34Å; I346-L356 HydrophobicContact CD1-CD1 4.2Å; I346-L356 HydrophobicContact CG1-CD1 4.04Å; I346-L356 HydrophobicContact CG2-CD1 4.39Å; I346-V364 HydrophobicContact CD1-CB 4.46Å; I346-V364 HydrophobicContact CD1-CG1 4.06Å
347	F	95.7	Very high	95.9	Very high	84 Å²	84	31.3 Å²	31.3	37%	0.368	15%	0.147	S	C	.	.	H	α-helix	trans	-70.8	-49.6	-171.3	177.6	-112.8	0	0	0	112.4	D269 H343 M344 N349 D350	D269-F347 HydrophobicContact CB-CD1 4.42Å; D269-F347 HydrophobicContact CB-CE1 3.96Å; H343-F347 AromaticContact CE1-CG 3.93Å; H343-F347 WeakPolarHBondContact O-CB 3.31Å; H343-F347 PolarHBondContact O-N 3.48Å; M344-F347 PolarHBondContact O-N 2.98Å; F347-N349 PolarHBondContact O-N 3.28Å; F347-D350 PolarHBondContact O-N 3.37Å
348	M	94.5	Very high	95.8	Very high	36 Å²	36	33 Å²	33	18%	0.177	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-12.9	-175.8	76.4	-170.5	177.8	0	0	114	W271 M344 I345 P584 P586 W587	W271-M348 HydrophobicContact CE3-CE 4.19Å; W271-M348 HydrophobicContact CE3-SD 4Å; W271-M348 HydrophobicContact CH2-CE 4.45Å; W271-M348 HydrophobicContact CZ3-CE 3.72Å; W271-M348 HydrophobicContact CZ3-SD 4.11Å; M344-M348 WeakPolarHBondContact O-CB 3.35Å; M344-M348 WeakPolarHBondContact O-CG 3.49Å; M344-M348 PolarHBondContact O-N 3.32Å; I345-M348 HydrophobicContact CG1-CE 4.48Å; M348-P584 HydrophobicContact CB-CG 4.09Å; M348-P584 HydrophobicContact CG-CG 3.79Å; M348-P584 WeakPolarHBondContact O-CG 3.3Å; M348-P584 HydrophobicContact SD-CG 4.24Å; M348-P586 HydrophobicContact SD-CG 4.2Å; M348-W587 HydrophobicContact CE-CE3 4.4Å; M348-W587 HydrophobicContact CE-CH2 4.15Å; M348-W587 HydrophobicContact CE-CZ3 3.46Å; M348-W587 VanDerWaalsContact CE-CZ3 3.46Å
349	N	93.8	Very high	95.8	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	9.5	-179	-64.3	-69.7	0	0	0	112.9	I345 F347 L351 I548 V583 P584	I345-N349 WeakPolarHBondContact O-CB 3.39Å; I345-N349 PolarHBondContact O-ND2 3.25Å; F347-N349 PolarHBondContact O-N 3.28Å; N349-L351 HydrophobicContact CB-CD1 4.49Å; N349-L351 HydrophobicContact CB-CD2 4.08Å; N349-L351 HydrophobicContact CB-CG 3.87Å; N349-L351 PolarHBondContact O-N 3.5Å; N349-I548 HydrophobicContact CB-CG2 3.85Å; N349-V583 WeakPolarHBondContact OD1-CG1 3.34Å; N349-P584 WeakPolarHBondContact OD1-CD 3.29Å
350	D	92.8	Very high	95.8	Very high	66 Å²	66	33.4 Å²	33.4	35%	0.353	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	31.5	-179.1	-62.8	-55.5	0	0	0	114.1	I346 F347 R352 Q353 N354 Q581	I346-D350 PolarHBondContact O-N 2.96Å; F347-D350 PolarHBondContact O-N 3.37Å; D350-R352 PolarHBondContact O-N 2.92Å; D350-Q353 PolarHBondContact O-N 3.35Å; D350-Q353 VanDerWaalsContact O-N 3.13Å; D350-Q353 PolarHBondContact O-OE1 3.1Å; D350-N354 PolarHBondContact O-N 3.4Å; D350-N354 PolarHBondContact O-ND2 3.48Å; D350-Q581 PolarHBondContact OD2-NE2 2.95Å
351	L	95.1	Very high	95.8	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-65.5	-27.9	-174.1	-63.5	-175.5	0	0	0	111.8	I346 N349 W355 L356 I473 I548 I551	I346-L351 HydrophobicContact CG2-CB 4.32Å; I346-L351 PolarHBondContact O-N 3.22Å; I346-L351 VanDerWaalsContact O-N 3.11Å; N349-L351 HydrophobicContact CB-CD1 4.49Å; N349-L351 HydrophobicContact CB-CD2 4.08Å; N349-L351 HydrophobicContact CB-CG 3.87Å; N349-L351 PolarHBondContact O-N 3.5Å; L351-W355 PolarHBondContact O-N 2.83Å; L351-L356 HydrophobicContact CB-CD1 3.98Å; L351-L356 HydrophobicContact CB-CG 4.23Å; L351-L356 PolarHBondContact O-N 2.83Å; L351-I473 HydrophobicContact CD1-CD1 4.23Å; L351-I548 HydrophobicContact CD2-CG2 4.44Å; L351-I551 HydrophobicContact CD2-CG2 4.17Å
352	R	92	Very high	95.8	Very high	94 Å²	94	33.4 Å²	33.4	36%	0.355	16%	0.158	S	C	.	.	H	α-helix	trans	-63.6	-40.2	175.3	172.6	167	-164.3	-80.6	-10.4	112.6	I346 D350 L356 D358 I361	I346-R352 HydrophobicContact CG2-CB 4.34Å; D350-R352 PolarHBondContact O-N 2.92Å; R352-L356 VanDerWaalsContact O-O 3.09Å; R352-D358 IonicContact CZ-OD1 3.31Å; R352-D358 IonicContact NE-OD1 3.68Å; R352-D358 IonicContact NH2-OD1 3.19Å; R352-D358 PolarHBondContact NH2-OD1 3.3Å; R352-I361 HydrophobicContact CB-CD1 3.69Å; R352-I361 HydrophobicContact CG-CD1 3.49Å; R352-I361 VanDerWaalsContact CG-CD1 3.49Å
353	Q	88.3	Confident	95.8	Very high	117 Å²	117	33.4 Å²	33.4	55%	0.547	16%	0.158	S	C	.	.	H	α-helix	trans	-77.8	-31.3	-174.5	-69	78.9	-6.4	0	0	111	D350	D350-Q353 PolarHBondContact O-N 3.35Å; D350-Q353 VanDerWaalsContact O-N 3.13Å; D350-Q353 PolarHBondContact O-OE1 3.1Å
354	N	86.3	Confident	95.8	Very high	103 Å²	103	33.4 Å²	33.4	55%	0.551	16%	0.158	S	C	*	.	H	α-helix	trans	-113.3	-18	-164.3	-62.7	-31.4	0	0	0	114.6	D350	D350-N354 PolarHBondContact O-N 3.4Å; D350-N354 PolarHBondContact O-ND2 3.48Å
355	W	94.9	Very high	95.9	Very high	62 Å²	62	32.9 Å²	32.9	24%	0.235	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.9	-39	-168.5	-169.7	59.9	0	0	0	115.9	L351 K466 A469 L470 I551	L351-W355 PolarHBondContact O-N 2.83Å; W355-K466 HydrophobicContact CH2-CB 4.35Å; W355-K466 HydrophobicContact CH2-CG 3.91Å; W355-K466 HydrophobicContact CZ2-CB 4.06Å; W355-K466 HydrophobicContact CZ2-CG 3.94Å; W355-A469 HydrophobicContact CH2-CB 3.54Å; W355-A469 HydrophobicContact CZ2-CB 4.34Å; W355-A469 HydrophobicContact CZ3-CB 4.35Å; W355-L470 HydrophobicContact CZ3-CD2 4.35Å; W355-I551 HydrophobicContact CB-CG2 3.88Å; W355-I551 HydrophobicContact CD2-CD1 4.23Å; W355-I551 HydrophobicContact CD2-CG1 4.42Å; W355-I551 HydrophobicContact CD2-CG2 3.48Å; W355-I551 VanDerWaalsContact CD2-CG2 3.48Å; W355-I551 HydrophobicContact CE3-CD1 4.01Å; W355-I551 HydrophobicContact CE3-CG2 3.89Å; W355-I551 HydrophobicContact CG-CG2 3.45Å; W355-I551 VanDerWaalsContact CG-CG2 3.45Å; W355-I551 HydrophobicContact CH2-CD1 3.67Å; W355-I551 HydrophobicContact CZ2-CD1 3.84Å; W355-I551 HydrophobicContact CZ2-CG1 4.22Å; W355-I551 HydrophobicContact CZ3-CD1 3.73Å
356	L	97.4	Very high	95.9	Very high	9 Å²	9	33.5 Å²	33.5	5%	0.047	16%	0.158	C	C	.	.			trans	-96.9	135.9	-176.5	-60.6	-179.2	0	0	0	111.7	I346 L351 R352 D360 I361 K466 L470	I346-L356 HydrophobicContact CD1-CD1 4.2Å; I346-L356 HydrophobicContact CG1-CD1 4.04Å; I346-L356 HydrophobicContact CG2-CD1 4.39Å; L351-L356 HydrophobicContact CB-CD1 3.98Å; L351-L356 HydrophobicContact CB-CG 4.23Å; L351-L356 PolarHBondContact O-N 2.83Å; R352-L356 VanDerWaalsContact O-O 3.09Å; L356-D360 HydrophobicContact CB-CB 4.14Å; L356-D360 HydrophobicContact CD2-CB 3.96Å; L356-I361 HydrophobicContact CB-CD1 4.5Å; L356-I361 HydrophobicContact CB-CG1 4.05Å; L356-I361 HydrophobicContact CD1-CG1 4.37Å; L356-K466 HydrophobicContact CD2-CD 4.48Å; L356-L470 HydrophobicContact CD1-CD2 4.25Å; L356-L470 HydrophobicContact CD2-CD2 3.71Å
357	N	97.1	Very high	95.9	Very high	68 Å²	68	33.4 Å²	33.4	36%	0.364	16%	0.158	S	C	.	.			trans	-87.4	170.7	169	70.1	46.3	0	0	0	110.9	L359 D360 I361	N357-L359 PolarHBondContact O-N 3.37Å; N357-L359 WeakPolarHBondContact OD1-CA 3.32Å; N357-L359 VanDerWaalsContact OD1-CB 3.25Å; N357-L359 WeakPolarHBondContact OD1-CB 3.47Å; N357-L359 PolarHBondContact OD1-N 2.92Å; N357-D360 PolarHBondContact N-OD2 2.95Å; N357-D360 PolarHBondContact ND2-OD2 2.84Å; N357-D360 WeakPolarHBondContact O-CB 3.21Å; N357-D360 PolarHBondContact O-N 2.77Å; N357-D360 PolarHBondContact OD1-N 3.42Å; N357-D360 PolarHBondContact OD1-OD2 3.49Å; N357-I361 WeakPolarHBondContact O-CG1 3.45Å; N357-I361 PolarHBondContact O-N 2.71Å; N357-I361 VanDerWaalsContact O-N 3.17Å
358	D	97.8	Very high	96.1	Very high	39 Å²	39	29.4 Å²	29.4	21%	0.209	14%	0.141	C	C	.	.	H	α-helix	trans	-60.7	-30	-178.6	-62.6	-39.8	0	0	0	112.7	L300 K303 F304 R352 F362	L300-D358 HydrophobicContact CD2-CB 4.02Å; L300-D358 WeakPolarHBondContact CD2-O 3.5Å; K303-D358 VanDerWaalsContact CE-OD2 3.29Å; K303-D358 WeakPolarHBondContact CE-OD2 3.29Å; K303-D358 HydrophobicContact CG-CB 4.21Å; K303-D358 IonicContact NZ-OD2 3.67Å; F304-D358 HydrophobicContact CE2-CB 4.18Å; F304-D358 HydrophobicContact CZ-CB 4Å; R352-D358 IonicContact CZ-OD1 3.31Å; R352-D358 IonicContact NE-OD1 3.68Å; R352-D358 IonicContact NH2-OD1 3.19Å; R352-D358 PolarHBondContact NH2-OD1 3.3Å; D358-F362 WeakPolarHBondContact O-CB 3.32Å; D358-F362 PolarHBondContact O-N 3.36Å
359	L	98.5	Very high	96.3	Very high	9 Å²	9	27.9 Å²	27.9	5%	0.047	13%	0.133	C	C	.	.	H	α-helix	trans	-72.6	-39.4	178.8	-167.7	70.9	0	0	0	111.2	F304 N357 F362 A363 L423 Q427 E430 F431	F304-L359 HydrophobicContact CE1-CD1 3.98Å; F304-L359 HydrophobicContact CZ-CB 4.05Å; F304-L359 HydrophobicContact CZ-CD1 3.84Å; N357-L359 PolarHBondContact O-N 3.37Å; N357-L359 WeakPolarHBondContact OD1-CA 3.32Å; N357-L359 VanDerWaalsContact OD1-CB 3.25Å; N357-L359 WeakPolarHBondContact OD1-CB 3.47Å; N357-L359 PolarHBondContact OD1-N 2.92Å; L359-F362 PolarHBondContact O-N 3.44Å; L359-A363 WeakPolarHBondContact O-CB 3.45Å; L359-A363 PolarHBondContact O-N 3.03Å; L359-L423 HydrophobicContact CD1-CD1 4.42Å; L359-L423 HydrophobicContact CD1-CD2 3.95Å; L359-Q427 HydrophobicContact CD1-CB 4.24Å; L359-Q427 HydrophobicContact CD2-CB 4.13Å; L359-Q427 HydrophobicContact CD2-CG 4.4Å; L359-E430 HydrophobicContact CD2-CB 4.03Å; L359-E430 HydrophobicContact CD2-CG 3.99Å; L359-F431 HydrophobicContact CD1-CB 4.05Å; L359-F431 HydrophobicContact CD1-CD2 4.3Å; L359-F431 HydrophobicContact CG-CB 4.42Å
360	D	98.5	Very high	96.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.9	-47.6	174.2	-59.9	-44.3	0	0	0	110.3	L356 N357 F362 A363 V364 K466 L470	L356-D360 HydrophobicContact CB-CB 4.14Å; L356-D360 HydrophobicContact CD2-CB 3.96Å; N357-D360 PolarHBondContact N-OD2 2.95Å; N357-D360 PolarHBondContact ND2-OD2 2.84Å; N357-D360 WeakPolarHBondContact O-CB 3.21Å; N357-D360 PolarHBondContact O-N 2.77Å; N357-D360 PolarHBondContact OD1-N 3.42Å; N357-D360 PolarHBondContact OD1-OD2 3.49Å; D360-F362 VanDerWaalsContact C-N 3.35Å; D360-F362 PolarHBondContact O-N 2.81Å; D360-A363 PolarHBondContact O-N 3.44Å; D360-V364 VanDerWaalsContact O-CG2 3.32Å; D360-V364 WeakPolarHBondContact O-CG2 3.19Å; D360-V364 PolarHBondContact O-N 3.2Å; D360-K466 VanDerWaalsContact OD1-CD 3.29Å; D360-K466 WeakPolarHBondContact OD1-CD 3.46Å; D360-K466 IonicContact OD1-NZ 2.89Å; D360-K466 IonicContact OD2-NZ 2.91Å; D360-K466 PolarHBondContact OD2-NZ 2.92Å; D360-L470 HydrophobicContact CB-CD1 4.21Å
361	I	98.6	Very high	96.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-44.2	178.9	-61.6	173.4	0	0	0	110.2	Y298 L300 R352 L356 N357 A363 V364 L365	Y298-I361 HydrophobicContact CD1-CD1 4.2Å; Y298-I361 HydrophobicContact CD1-CG2 3.99Å; Y298-I361 HydrophobicContact CD2-CG2 3.84Å; Y298-I361 HydrophobicContact CE1-CD1 4.29Å; Y298-I361 HydrophobicContact CE1-CG2 4.18Å; Y298-I361 HydrophobicContact CE2-CG2 4.02Å; Y298-I361 HydrophobicContact CG-CG2 3.79Å; L300-I361 HydrophobicContact CD1-CG2 4.15Å; R352-I361 HydrophobicContact CB-CD1 3.69Å; R352-I361 HydrophobicContact CG-CD1 3.49Å; R352-I361 VanDerWaalsContact CG-CD1 3.49Å; L356-I361 HydrophobicContact CB-CD1 4.5Å; L356-I361 HydrophobicContact CB-CG1 4.05Å; L356-I361 HydrophobicContact CD1-CG1 4.37Å; N357-I361 WeakPolarHBondContact O-CG1 3.45Å; N357-I361 PolarHBondContact O-N 2.71Å; N357-I361 VanDerWaalsContact O-N 3.17Å; I361-A363 VanDerWaalsContact C-N 3.33Å; I361-A363 PolarHBondContact O-N 3.27Å; I361-V364 PolarHBondContact O-N 2.87Å; I361-L365 HydrophobicContact CG2-CD1 3.91Å; I361-L365 HydrophobicContact CG2-CG 4.29Å; I361-L365 WeakPolarHBondContact O-CB 3.38Å; I361-L365 VanDerWaalsContact O-CG 3.3Å; I361-L365 WeakPolarHBondContact O-CG 3.16Å; I361-L365 PolarHBondContact O-N 2.81Å
362	F	98.8	Very high	97	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-60.6	-44.2	176.7	-176.4	-154.1	0	0	0	111.5	L295 L300 F304 I306 D358 L359 D360 F366 I419 L420 L423 F431	L295-F362 HydrophobicContact CD2-CD2 3.87Å; L295-F362 HydrophobicContact CD2-CE2 4.06Å; L300-F362 HydrophobicContact CD1-CB 3.92Å; L300-F362 HydrophobicContact CD1-CD2 4.37Å; L300-F362 HydrophobicContact CD1-CG 4.46Å; L300-F362 HydrophobicContact CD2-CB 4.37Å; F304-F362 HydrophobicContact CD2-CB 4.29Å; F304-F362 AromaticContact CD2-CD1 3.61Å; F304-F362 HydrophobicContact CD2-CD1 3.61Å; F304-F362 HydrophobicContact CD2-CE1 4.24Å; F304-F362 HydrophobicContact CD2-CG 4.15Å; F304-F362 HydrophobicContact CE2-CB 3.81Å; F304-F362 AromaticContact CE2-CD1 3.83Å; F304-F362 HydrophobicContact CE2-CD1 3.83Å; F304-F362 HydrophobicContact CE2-CG 4.16Å; F304-F362 HydrophobicContact CG-CD1 4.3Å; I306-F362 HydrophobicContact CD1-CE1 4.3Å; I306-F362 HydrophobicContact CD1-CE2 4.05Å; I306-F362 HydrophobicContact CD1-CZ 3.78Å; D358-F362 WeakPolarHBondContact O-CB 3.32Å; D358-F362 PolarHBondContact O-N 3.36Å; L359-F362 PolarHBondContact O-N 3.44Å; D360-F362 VanDerWaalsContact C-N 3.35Å; D360-F362 PolarHBondContact O-N 2.81Å; F362-F366 HydrophobicContact CD2-CB 4.4Å; F362-F366 HydrophobicContact CE2-CB 4.31Å; F362-F366 HydrophobicContact CE2-CD2 4.45Å; F362-F366 WeakPolarHBondContact O-CB 3.36Å; F362-F366 PolarHBondContact O-N 2.97Å; F362-I419 HydrophobicContact CE2-CD1 4.28Å; F362-I419 HydrophobicContact CZ-CD1 3.99Å; F362-L420 HydrophobicContact CE1-CD2 3.62Å; F362-L420 HydrophobicContact CZ-CD2 3.59Å; F362-L423 HydrophobicContact CE1-CD1 4.44Å; F362-F431 HydrophobicContact CB-CE2 4.28Å; F362-F431 AromaticContact CD1-CD2 3.8Å; F362-F431 HydrophobicContact CD1-CD2 3.8Å; F362-F431 AromaticContact CD1-CE2 3.45Å; F362-F431 HydrophobicContact CD1-CE2 3.45Å; F362-F431 VanDerWaalsContact CD1-CE2 3.45Å; F362-F431 HydrophobicContact CD1-CZ 4.3Å; F362-F431 AromaticContact CD2-CE2 3.98Å; F362-F431 HydrophobicContact CD2-CE2 3.98Å; F362-F431 HydrophobicContact CE1-CD2 4.17Å; F362-F431 AromaticContact CE1-CE2 3.64Å; F362-F431 HydrophobicContact CE1-CE2 3.64Å; F362-F431 HydrophobicContact CE1-CZ 4.03Å; F362-F431 HydrophobicContact CE2-CE2 4.13Å; F362-F431 HydrophobicContact CE2-CZ 4.3Å; F362-F431 HydrophobicContact CG-CD2 4.22Å; F362-F431 AromaticContact CG-CE2 3.63Å; F362-F431 HydrophobicContact CG-CE2 3.63Å; F362-F431 AromaticContact CZ-CE2 3.97Å; F362-F431 HydrophobicContact CZ-CE2 3.97Å; F362-F431 HydrophobicContact CZ-CZ 4.03Å
363	A	98.9	Very high	97.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.4	-43.6	178.2	0	0	0	0	0	112.3	L359 D360 I361 F366 A367 F431 L434 V435 M438	L359-A363 WeakPolarHBondContact O-CB 3.45Å; L359-A363 PolarHBondContact O-N 3.03Å; D360-A363 PolarHBondContact O-N 3.44Å; I361-A363 VanDerWaalsContact C-N 3.33Å; I361-A363 PolarHBondContact O-N 3.27Å; A363-F366 PolarHBondContact O-N 3.33Å; A363-A367 WeakPolarHBondContact O-CB 3.44Å; A363-A367 PolarHBondContact O-N 2.95Å; A363-F431 HydrophobicContact CB-CD2 3.92Å; A363-F431 HydrophobicContact CB-CE2 4.19Å; A363-L434 HydrophobicContact CB-CB 3.86Å; A363-L434 HydrophobicContact CB-CD1 4.05Å; A363-V435 HydrophobicContact CB-CG2 4.1Å; A363-M438 HydrophobicContact CB-CE 3.75Å; A363-M438 VanDerWaalsContact O-CE 3.29Å; A363-M438 WeakPolarHBondContact O-CE 3.46Å
364	V	98.9	Very high	97.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.8	-49.2	179.5	171.8	0	0	0	0	111.2	C342 I346 D360 I361 F366 A367 A368 M438 L470 V474	C342-V364 HydrophobicContact CB-CG1 3.9Å; I346-V364 HydrophobicContact CD1-CB 4.46Å; I346-V364 HydrophobicContact CD1-CG1 4.06Å; D360-V364 VanDerWaalsContact O-CG2 3.32Å; D360-V364 WeakPolarHBondContact O-CG2 3.19Å; D360-V364 PolarHBondContact O-N 3.2Å; I361-V364 PolarHBondContact O-N 2.87Å; V364-F366 VanDerWaalsContact C-N 3.34Å; V364-F366 PolarHBondContact O-N 3.45Å; V364-A367 PolarHBondContact O-N 3.13Å; V364-A368 WeakPolarHBondContact O-CB 3.31Å; V364-A368 PolarHBondContact O-N 3.28Å; V364-M438 HydrophobicContact CB-SD 4.35Å; V364-M438 HydrophobicContact CG2-CE 4.28Å; V364-M438 HydrophobicContact CG2-SD 3.78Å; V364-L470 HydrophobicContact CG2-CB 4.11Å; V364-L470 HydrophobicContact CG2-CD1 4Å; V364-L470 HydrophobicContact CG2-CD2 3.54Å; V364-L470 HydrophobicContact CG2-CG 4.07Å; V364-V474 HydrophobicContact CG1-CG2 4.12Å
365	L	98.9	Very high	98.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63	-42.5	179.7	-71.3	-177.3	0	0	0	111.4	L294 Y298 L300 M339 H343 I361 V369	L294-L365 HydrophobicContact CB-CD1 4.3Å; L294-L365 HydrophobicContact CD1-CD2 4.22Å; Y298-L365 HydrophobicContact CD2-CD1 3.58Å; Y298-L365 HydrophobicContact CE2-CD1 3.87Å; L300-L365 HydrophobicContact CD1-CD1 3.99Å; M339-L365 HydrophobicContact CE-CB 3.64Å; M339-L365 HydrophobicContact CE-CD1 4.29Å; M339-L365 HydrophobicContact CE-CD2 4.02Å; M339-L365 HydrophobicContact CE-CG 4.19Å; M339-L365 HydrophobicContact CG-CD2 3.93Å; H343-L365 HydrophobicContact CB-CD2 4.47Å; I361-L365 HydrophobicContact CG2-CD1 3.91Å; I361-L365 HydrophobicContact CG2-CG 4.29Å; I361-L365 WeakPolarHBondContact O-CB 3.38Å; I361-L365 VanDerWaalsContact O-CG 3.3Å; I361-L365 WeakPolarHBondContact O-CG 3.16Å; I361-L365 PolarHBondContact O-N 2.81Å; L365-V369 VanDerWaalsContact O-CG2 3.31Å; L365-V369 WeakPolarHBondContact O-CG2 3.42Å; L365-V369 PolarHBondContact O-N 2.63Å; L365-V369 VanDerWaalsContact O-N 3.1Å
366	F	98.9	Very high	98.5	Very high	12 Å²	12	9.6 Å²	9.6	5%	0.053	5%	0.049	C	C	.	.	H	α-helix	trans	-67.9	-43.7	177.8	-170	-102.8	0	0	0	112	L314 F362 A363 V364 A368 V369 I370 V408 M412 I419 F431 V435	L314-F366 HydrophobicContact CD2-CE2 4.08Å; F362-F366 HydrophobicContact CD2-CB 4.4Å; F362-F366 HydrophobicContact CE2-CB 4.31Å; F362-F366 HydrophobicContact CE2-CD2 4.45Å; F362-F366 WeakPolarHBondContact O-CB 3.36Å; F362-F366 PolarHBondContact O-N 2.97Å; A363-F366 PolarHBondContact O-N 3.33Å; V364-F366 VanDerWaalsContact C-N 3.34Å; V364-F366 PolarHBondContact O-N 3.45Å; F366-A368 PolarHBondContact O-N 2.87Å; F366-V369 PolarHBondContact O-N 2.67Å; F366-I370 HydrophobicContact CD1-CD1 4.2Å; F366-I370 HydrophobicContact CD1-CG2 4.4Å; F366-I370 HydrophobicContact CE1-CD1 3.84Å; F366-I370 HydrophobicContact CE1-CG2 4.04Å; F366-I370 HydrophobicContact CE2-CG2 4.12Å; F366-I370 HydrophobicContact CZ-CG2 3.87Å; F366-I370 WeakPolarHBondContact O-CG1 3.41Å; F366-I370 WeakPolarHBondContact O-CG2 3.42Å; F366-I370 PolarHBondContact O-N 3.19Å; F366-V408 HydrophobicContact CE1-CG1 4.49Å; F366-V408 HydrophobicContact CZ-CG1 3.94Å; F366-M412 HydrophobicContact CE1-CE 3.79Å; F366-M412 HydrophobicContact CE1-SD 4.32Å; F366-M412 HydrophobicContact CE2-SD 4.15Å; F366-M412 HydrophobicContact CZ-CE 3.53Å; F366-M412 HydrophobicContact CZ-SD 3.5Å; F366-M412 VanDerWaalsContact CZ-SD 3.5Å; F366-I419 HydrophobicContact CD2-CD1 3.98Å; F366-I419 HydrophobicContact CE2-CD1 3.67Å; F366-F431 HydrophobicContact CB-CE2 4.12Å; F366-F431 HydrophobicContact CB-CZ 3.76Å; F366-F431 AromaticContact CD1-CE1 3.95Å; F366-F431 HydrophobicContact CD1-CE1 3.95Å; F366-F431 AromaticContact CD1-CZ 3.51Å; F366-F431 HydrophobicContact CD1-CZ 3.51Å; F366-F431 HydrophobicContact CD2-CZ 4.46Å; F366-F431 HydrophobicContact CE1-CE1 4.29Å; F366-F431 HydrophobicContact CE1-CZ 4.22Å; F366-F431 HydrophobicContact CG-CE1 4.49Å; F366-F431 HydrophobicContact CG-CE2 4.48Å; F366-F431 AromaticContact CG-CZ 3.65Å; F366-F431 HydrophobicContact CG-CZ 3.65Å; F366-V435 HydrophobicContact CD1-CG1 4.03Å; F366-V435 HydrophobicContact CD1-CG2 3.97Å; F366-V435 HydrophobicContact CE1-CG1 4.42Å
367	A	98.9	Very high	98.6	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-57.9	-47.2	175.4	0	0	0	0	0	111.4	A363 V364 V369 I370 H371 V435 M438 V439	A363-A367 WeakPolarHBondContact O-CB 3.44Å; A363-A367 PolarHBondContact O-N 2.95Å; V364-A367 PolarHBondContact O-N 3.13Å; A367-V369 VanDerWaalsContact C-N 3.34Å; A367-V369 PolarHBondContact O-N 3.3Å; A367-I370 PolarHBondContact O-N 3.18Å; A367-H371 WeakPolarHBondContact O-CB 3.19Å; A367-H371 PolarHBondContact O-N 2.81Å; A367-V435 HydrophobicContact CB-CG1 4.32Å; A367-M438 HydrophobicContact CB-CB 3.82Å; A367-M438 HydrophobicContact CB-CE 3.82Å; A367-M438 HydrophobicContact CB-SD 4.18Å; A367-V439 HydrophobicContact CB-CG2 4.11Å
368	A	98.9	Very high	98.6	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-58.8	-42.7	176.9	0	0	0	0	0	112.8	V338 M339 V364 F366 I370 H371	V338-A368 HydrophobicContact CG1-CB 3.98Å; M339-A368 HydrophobicContact CB-CB 4.05Å; M339-A368 HydrophobicContact CG-CB 4.4Å; V364-A368 WeakPolarHBondContact O-CB 3.31Å; V364-A368 PolarHBondContact O-N 3.28Å; F366-A368 PolarHBondContact O-N 2.87Å; A368-I370 VanDerWaalsContact C-N 3.29Å; A368-I370 PolarHBondContact O-N 2.68Å; A368-H371 PolarHBondContact O-ND1 3.42Å
369	V	98.7	Very high	98.6	Very high	4 Å²	4	5 Å²	5	2%	0.024	3%	0.026	C	C	.	.	H	α-helix	trans	-64.3	-31.8	179.2	163	0	0	0	0	112.8	L287 A291 L315 L318 Y322 M339 L365 F366 A367	L287-V369 HydrophobicContact CD1-CB 4.47Å; L287-V369 HydrophobicContact CD1-CG1 4.17Å; L287-V369 HydrophobicContact CD1-CG2 4.11Å; A291-V369 HydrophobicContact CB-CG2 4.09Å; L315-V369 HydrophobicContact CD2-CG1 4.32Å; L318-V369 HydrophobicContact CD1-CG1 3.44Å; L318-V369 VanDerWaalsContact CD1-CG1 3.44Å; Y322-V369 WeakPolarHBondContact CE2-O 3.44Å; Y322-V369 PolarHBondContact OH-O 2.86Å; M339-V369 HydrophobicContact CB-CG2 4.1Å; M339-V369 HydrophobicContact CE-CG2 3.6Å; M339-V369 HydrophobicContact CG-CG2 3.79Å; M339-V369 HydrophobicContact SD-CG2 3.17Å; M339-V369 WeakPolarHBondContact SD-CG2 3.2Å; L365-V369 VanDerWaalsContact O-CG2 3.31Å; L365-V369 WeakPolarHBondContact O-CG2 3.42Å; L365-V369 PolarHBondContact O-N 2.63Å; L365-V369 VanDerWaalsContact O-N 3.1Å; F366-V369 PolarHBondContact O-N 2.67Å; A367-V369 VanDerWaalsContact C-N 3.34Å; A367-V369 PolarHBondContact O-N 3.3Å
370	I	98.8	Very high	98.5	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-104.6	-9.3	-171.9	73.8	162.7	0	0	0	114.5	L318 F366 A367 A368 D372 Y373 V405 V408 V435 V439	L318-I370 HydrophobicContact CD1-CG2 4.11Å; L318-I370 HydrophobicContact CD2-CG2 4.34Å; F366-I370 HydrophobicContact CD1-CD1 4.2Å; F366-I370 HydrophobicContact CD1-CG2 4.4Å; F366-I370 HydrophobicContact CE1-CD1 3.84Å; F366-I370 HydrophobicContact CE1-CG2 4.04Å; F366-I370 HydrophobicContact CE2-CG2 4.12Å; F366-I370 HydrophobicContact CZ-CG2 3.87Å; F366-I370 WeakPolarHBondContact O-CG1 3.41Å; F366-I370 WeakPolarHBondContact O-CG2 3.42Å; F366-I370 PolarHBondContact O-N 3.19Å; A367-I370 PolarHBondContact O-N 3.18Å; A368-I370 VanDerWaalsContact C-N 3.29Å; A368-I370 PolarHBondContact O-N 2.68Å; I370-D372 PolarHBondContact O-N 3.44Å; I370-Y373 WeakPolarHBondContact O-CB 3.28Å; I370-Y373 PolarHBondContact O-N 3.25Å; I370-Y373 VanDerWaalsContact O-N 3.08Å; I370-V405 HydrophobicContact CD1-CG2 4.34Å; I370-V408 HydrophobicContact CB-CB 4.43Å; I370-V408 HydrophobicContact CB-CG1 4.42Å; I370-V408 HydrophobicContact CB-CG2 4.01Å; I370-V408 HydrophobicContact CD1-CB 4.28Å; I370-V408 HydrophobicContact CD1-CG1 4.42Å; I370-V408 HydrophobicContact CG2-CB 4.37Å; I370-V408 HydrophobicContact CG2-CG1 3.83Å; I370-V408 HydrophobicContact CG2-CG2 4.16Å; I370-V435 HydrophobicContact CD1-CG1 3.71Å; I370-V439 HydrophobicContact CD1-CG2 4.28Å; I370-V439 HydrophobicContact CG1-CG2 4.04Å
371	H	98.8	Very high	98.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.4	-161.7	77.1	-70.5	0	0	0	114.5	H334 A367 A368 H404 V439 T442 D478	H334-H371 AromaticContact CD2-CE1 3.93Å; H334-H371 AromaticContact CD2-NE2 3.96Å; H334-H371 AromaticContact NE2-CE1 3.67Å; H334-H371 AromaticContact NE2-NE2 3.36Å; H334-H371 PolarHBondContact NE2-NE2 2.91Å; A367-H371 WeakPolarHBondContact O-CB 3.19Å; A367-H371 PolarHBondContact O-N 2.81Å; A368-H371 PolarHBondContact O-ND1 3.42Å; H371-H404 VanDerWaalsContact O-CB 3.27Å; H371-H404 WeakPolarHBondContact O-CB 3.47Å; H371-H404 PolarHBondContact O-CD2 3.47Å; H371-V439 HydrophobicContact CB-CG1 4.42Å; H371-V439 HydrophobicContact CB-CG2 4.23Å; H371-T442 HydrophobicContact CB-CG2 4.3Å; H371-D478 IonicContact NE2-OD1 3.47Å
372	D	98.8	Very high	98.4	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	18.3	-178.2	-83	-14.7	0	0	0	113.2	Y322 H330 H334 I370 E374 H375 H404	Y322-D372 HydrophobicContact CE1-CB 3.62Å; Y322-D372 VanDerWaalsContact CE1-O 3.24Å; Y322-D372 WeakPolarHBondContact CE1-O 3.36Å; Y322-D372 PolarHBondContact OH-N 3.41Å; H330-D372 IonicContact CD2-OD2 3.35Å; H330-D372 PolarHBondContact CD2-OD2 3.4Å; H334-D372 IonicContact CD2-OD2 3.53Å; H334-D372 PolarHBondContact CD2-OD2 3.13Å; H334-D372 IonicContact NE2-OD2 3.99Å; H334-D372 PolarHBondContact NE2-OD2 3.39Å; I370-D372 PolarHBondContact O-N 3.44Å; D372-E374 PolarHBondContact O-N 3.05Å; D372-H375 HydrophobicContact CB-CB 4.45Å; D372-H375 WeakPolarHBondContact O-CB 3.42Å; D372-H375 PolarHBondContact O-N 2.91Å; D372-H404 IonicContact OD1-NE2 3.26Å
373	Y	98.8	Very high	98.4	Very high	11 Å²	11	10.1 Å²	10.1	4%	0.043	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	123.4	-177.1	174.3	-105.4	0	0	0	112.4	L318 Y322 I370 H404 A407 V408	L318-Y373 HydrophobicContact CB-CD2 4.41Å; L318-Y373 HydrophobicContact CD2-CD2 3.45Å; L318-Y373 VanDerWaalsContact CD2-CD2 3.45Å; L318-Y373 HydrophobicContact CD2-CE2 3.74Å; L318-Y373 HydrophobicContact CD2-CG 3.95Å; Y322-Y373 PolarHBondContact OH-N 3.03Å; I370-Y373 WeakPolarHBondContact O-CB 3.28Å; I370-Y373 PolarHBondContact O-N 3.25Å; I370-Y373 VanDerWaalsContact O-N 3.08Å; Y373-H404 PolarHBondContact O-ND1 3.09Å; Y373-A407 HydrophobicContact CD1-CB 4.03Å; Y373-A407 HydrophobicContact CE1-CB 3.95Å; Y373-V408 HydrophobicContact CD1-CG2 3.31Å; Y373-V408 HydrophobicContact CD2-CG2 4.3Å; Y373-V408 HydrophobicContact CE1-CG2 3.94Å; Y373-V408 HydrophobicContact CG-CG2 3.52Å
374	E	98.5	Very high	98.4	Very high	31 Å²	31	12.7 Å²	12.7	15%	0.145	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	26.8	-173.1	-59.1	-170.3	121.7	0	0	115.3	K324 Y325 D372 T376 H403	K324-E374 HydrophobicContact CD-CG 4.16Å; K324-E374 WeakPolarHBondContact CD-OE1 3.39Å; K324-E374 IonicContact NZ-OE1 3.96Å; K324-E374 PolarHBondContact NZ-OE1 3.1Å; K324-E374 IonicContact NZ-OE2 3.79Å; Y325-E374 HydrophobicContact CE2-CB 4.48Å; Y325-E374 WeakPolarHBondContact CE2-O 3.29Å; D372-E374 PolarHBondContact O-N 3.05Å; E374-T376 PolarHBondContact O-N 3.41Å; E374-H403 IonicContact OE2-CE1 2.78Å; E374-H403 PolarHBondContact OE2-CE1 3.43Å; E374-H403 IonicContact OE2-NE2 3.4Å; E374-H403 PolarHBondContact OE2-NE2 3.12Å
375	H	98.7	Very high	98.3	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.014	9%	0.089	C	C	.	.			trans	-52.7	136.7	170	-162.9	-87.3	0	0	0	111.6	C4 Y325 N327 H330 D372 G377 H404	C4-H375 PolarHBondContact SG-NE2 3.48Å; C4-H375 VanDerWaalsContact SG-NE2 3.37Å; Y325-H375 WeakPolarHBondContact CD2-O 3.3Å; N327-H375 PolarHBondContact ND2-O 3.48Å; H330-H375 HydrophobicContact CB-CB 3.66Å; H330-H375 WeakPolarHBondContact CB-ND1 3.21Å; H330-H375 AromaticContact CD2-CD2 3.65Å; H330-H375 AromaticContact CD2-CE1 3.67Å; H330-H375 AromaticContact CD2-CG 3.78Å; H330-H375 AromaticContact CD2-ND1 3.78Å; H330-H375 AromaticContact CD2-NE2 3.63Å; H330-H375 AromaticContact CE1-CE1 3.59Å; H330-H375 AromaticContact CE1-NE2 3.98Å; H330-H375 AromaticContact CG-CD2 3.96Å; H330-H375 AromaticContact CG-CE1 3.53Å; H330-H375 AromaticContact CG-CG 3.63Å; H330-H375 AromaticContact CG-ND1 3.32Å; H330-H375 VanDerWaalsContact CG-ND1 3.32Å; H330-H375 AromaticContact CG-NE2 3.95Å; H330-H375 AromaticContact ND1-CE1 3.46Å; H330-H375 PolarHBondContact ND1-CE1 2.97Å; H330-H375 AromaticContact ND1-ND1 3.56Å; H330-H375 AromaticContact NE2-CE1 3.74Å; H330-H375 AromaticContact NE2-NE2 3.69Å; D372-H375 HydrophobicContact CB-CB 4.45Å; D372-H375 WeakPolarHBondContact O-CB 3.42Å; D372-H375 PolarHBondContact O-N 2.91Å; H375-G377 VanDerWaalsContact C-N 3.32Å; H375-G377 PolarHBondContact ND1-N 2.9Å; H375-G377 VanDerWaalsContact ND1-N 3.15Å; H375-G377 PolarHBondContact O-N 2.94Å; H375-H404 AromaticContact CD2-NE2 3.73Å
376	T	98.3	Very high	98.3	Very high	13 Å²	13	17.9 Å²	17.9	8%	0.08	10%	0.104	C	C	.	.			trans	-90.2	1.6	-171.8	60.8	0	0	0	0	114.2	Y325 E374 T378 H383 L400 R506	Y325-T376 HydrophobicContact CE2-CG2 4.07Å; E374-T376 PolarHBondContact O-N 3.41Å; T376-T378 PolarHBondContact O-N 3.32Å; T376-T378 PolarHBondContact OG1-OG1 3.05Å; T376-H383 WeakPolarHBondContact CG2-NE2 3.44Å; T376-H383 PolarHBondContact OG1-NE2 2.97Å; T376-L400 HydrophobicContact CG2-CD2 4.35Å; T376-R506 PolarHBondContact O-NH1 3.08Å
377	G	98.1	Very high	98.2	Very high	4 Å²	4	27 Å²	27	4%	0.041	14%	0.137	C	C	.	.	S	Bend	trans	69.7	21.4	-171.7	0	0	0	0	0	113	N327 H375 E499	N327-G377 PolarHBondContact ND2-N 2.97Å; N327-G377 VanDerWaalsContact OD1-CA 3.31Å; N327-G377 WeakPolarHBondContact OD1-CA 3.42Å; N327-G377 PolarHBondContact OD1-N 3.22Å; H375-G377 VanDerWaalsContact C-N 3.32Å; H375-G377 PolarHBondContact ND1-N 2.9Å; H375-G377 VanDerWaalsContact ND1-N 3.15Å; H375-G377 PolarHBondContact O-N 2.94Å; G377-E499 VanDerWaalsContact CA-OE1 3.26Å; G377-E499 WeakPolarHBondContact CA-OE1 3.21Å
378	T	98.2	Very high	98.2	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.025	15%	0.146	C	C	.	.	S	Bend	trans	-141	153.5	179.3	63.8	0	0	0	0	110.5	T376 F382 H383 L400 Q503	T376-T378 PolarHBondContact O-N 3.32Å; T376-T378 PolarHBondContact OG1-OG1 3.05Å; T378-F382 HydrophobicContact CG2-CD1 3.77Å; T378-F382 HydrophobicContact CG2-CE1 3.97Å; T378-F382 HydrophobicContact CG2-CG 4.08Å; T378-F382 HydrophobicContact CG2-CZ 4.44Å; T378-F382 WeakPolarHBondContact OG1-CD1 3.31Å; T378-H383 PolarHBondContact OG1-NE2 3.42Å; T378-L400 WeakPolarHBondContact O-CD1 3.43Å; T378-Q503 VanDerWaalsContact CA-OE1 3.23Å; T378-Q503 HydrophobicContact CG2-CB 4.3Å; T378-Q503 HydrophobicContact CG2-CG 4.06Å
379	T	97.1	Very high	98.2	Very high	11 Å²	11	35.4 Å²	35.4	7%	0.067	18%	0.18	C	C	.	.			trans	-76.8	162.9	-176.8	61.4	0	0	0	0	114	N381 F382 H383 Q503	T379-N381 PolarHBondContact O-N 3.15Å; T379-N381 VanDerWaalsContact O-N 3.17Å; T379-F382 WeakPolarHBondContact O-CB 3.48Å; T379-F382 PolarHBondContact O-N 3.27Å; T379-F382 PolarHBondContact OG1-N 2.99Å; T379-H383 PolarHBondContact O-CD2 3.19Å; T379-H383 PolarHBondContact O-N 3Å; T379-H383 VanDerWaalsContact O-N 3.16Å; T379-Q503 PolarHBondContact OG1-NE2 3.3Å; T379-Q503 PolarHBondContact OG1-OE1 3.5Å
380	N	97.5	Very high	98.2	Very high	14 Å²	14	36.5 Å²	36.5	8%	0.075	19%	0.185	C	C	.	.	H	α-helix	trans	-49.8	-39	169.2	-77.1	-23.5	0	0	0	112.7	H383 I384 V399 L400 E401	N380-H383 WeakPolarHBondContact O-CB 3.24Å; N380-H383 PolarHBondContact O-N 2.84Å; N380-I384 WeakPolarHBondContact O-CD1 3.25Å; N380-I384 VanDerWaalsContact O-CG1 3.24Å; N380-I384 WeakPolarHBondContact O-CG1 3.37Å; N380-I384 PolarHBondContact O-N 3.26Å; N380-V399 WeakPolarHBondContact OD1-CB 3.36Å; N380-V399 PolarHBondContact OD1-N 2.82Å; N380-L400 WeakPolarHBondContact OD1-CB 3.45Å; N380-L400 WeakPolarHBondContact OD1-CD1 3.27Å; N380-L400 VanDerWaalsContact OD1-CG 3.31Å; N380-L400 WeakPolarHBondContact OD1-CG 3.19Å; N380-L400 PolarHBondContact OD1-N 3.1Å; N380-E401 PolarHBondContact ND2-OE2 2.83Å
381	N	96.7	Very high	98.1	Very high	70 Å²	70	36.5 Å²	36.5	37%	0.374	19%	0.185	S	C	.	.	H	α-helix	trans	-66.4	-37.7	177.4	-82.7	4.4	0	0	0	113.4	S6 T379 H383 I384 A385	S6-N381 WeakPolarHBondContact CB-ND2 3.46Å; S6-N381 VanDerWaalsContact OG-CG 3.25Å; S6-N381 PolarHBondContact OG-ND2 2.71Å; S6-N381 PolarHBondContact OG-OD1 3.12Å; T379-N381 PolarHBondContact O-N 3.15Å; T379-N381 VanDerWaalsContact O-N 3.17Å; N381-H383 VanDerWaalsContact C-N 3.32Å; N381-I384 PolarHBondContact O-N 3.45Å; N381-A385 VanDerWaalsContact O-CB 3.29Å; N381-A385 WeakPolarHBondContact O-CB 3.35Å; N381-A385 PolarHBondContact O-N 3.16Å
382	F	98.1	Very high	98.1	Very high	22 Å²	22	42 Å²	42	10%	0.096	21%	0.214	C	C	.	.	H	α-helix	trans	-61.8	-45.3	174.4	-179.6	-88.2	0	0	0	110.3	T378 T379 I384 A385 T386 Q503 R506 E507 L510	T378-F382 HydrophobicContact CG2-CD1 3.77Å; T378-F382 HydrophobicContact CG2-CE1 3.97Å; T378-F382 HydrophobicContact CG2-CG 4.08Å; T378-F382 HydrophobicContact CG2-CZ 4.44Å; T378-F382 WeakPolarHBondContact OG1-CD1 3.31Å; T379-F382 WeakPolarHBondContact O-CB 3.48Å; T379-F382 PolarHBondContact O-N 3.27Å; T379-F382 PolarHBondContact OG1-N 2.99Å; F382-I384 VanDerWaalsContact C-N 3.32Å; F382-I384 PolarHBondContact O-N 2.88Å; F382-A385 PolarHBondContact O-N 3.17Å; F382-T386 HydrophobicContact CD1-CG2 4.23Å; F382-T386 HydrophobicContact CD2-CG2 4.49Å; F382-T386 HydrophobicContact CE1-CG2 3.86Å; F382-T386 HydrophobicContact CE2-CG2 4.15Å; F382-T386 HydrophobicContact CZ-CG2 3.82Å; F382-T386 WeakPolarHBondContact O-CB 3.33Å; F382-T386 WeakPolarHBondContact O-CG2 3.34Å; F382-T386 PolarHBondContact O-N 3.29Å; F382-T386 PolarHBondContact O-OG1 3.31Å; F382-Q503 HydrophobicContact CB-CG 4.44Å; F382-Q503 HydrophobicContact CD2-CG 3.86Å; F382-Q503 HydrophobicContact CE2-CG 4.48Å; F382-Q503 HydrophobicContact CG-CG 4.3Å; F382-R506 HydrophobicContact CE2-CB 4.08Å; F382-R506 HydrophobicContact CZ-CB 4.17Å; F382-E507 HydrophobicContact CD2-CG 3.65Å; F382-E507 HydrophobicContact CE2-CG 3.82Å; F382-L510 HydrophobicContact CE2-CD1 4.16Å; F382-L510 HydrophobicContact CZ-CD1 3.88Å
383	H	98.3	Very high	98.1	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.056	24%	0.236	C	C	.	.	H	α-helix	trans	-57.7	-41.1	175.7	-85.6	-80.3	0	0	0	113.2	T376 T378 T379 N380 N381 T386 R387 S388 A391 V399	T376-H383 WeakPolarHBondContact CG2-NE2 3.44Å; T376-H383 PolarHBondContact OG1-NE2 2.97Å; T378-H383 PolarHBondContact OG1-NE2 3.42Å; T379-H383 PolarHBondContact O-CD2 3.19Å; T379-H383 PolarHBondContact O-N 3Å; T379-H383 VanDerWaalsContact O-N 3.16Å; N380-H383 WeakPolarHBondContact O-CB 3.24Å; N380-H383 PolarHBondContact O-N 2.84Å; N381-H383 VanDerWaalsContact C-N 3.32Å; H383-T386 PolarHBondContact O-OG1 3.09Å; H383-R387 PolarHBondContact O-N 2.72Å; H383-S388 WeakPolarHBondContact CB-OG 3.39Å; H383-S388 VanDerWaalsContact ND1-CB 3.35Å; H383-S388 WeakPolarHBondContact ND1-CB 3.32Å; H383-S388 PolarHBondContact ND1-OG 2.99Å; H383-S388 PolarHBondContact O-N 3.49Å; H383-S388 PolarHBondContact O-OG 3.39Å; H383-S388 VanDerWaalsContact O-OG 3.09Å; H383-A391 HydrophobicContact CB-CB 4.29Å; H383-A391 WeakPolarHBondContact O-CB 3.44Å; H383-V399 HydrophobicContact CB-CG1 4.18Å
384	I	98.3	Very high	98.1	Very high	55 Å²	55	47.3 Å²	47.3	28%	0.282	24%	0.24	S	C	.	.	H	α-helix	trans	-70.2	-48.9	177.4	-65.7	163.9	0	0	0	110.7	N380 N381 F382 T386 R387 A391 D396 V399	N380-I384 WeakPolarHBondContact O-CD1 3.25Å; N380-I384 VanDerWaalsContact O-CG1 3.24Å; N380-I384 WeakPolarHBondContact O-CG1 3.37Å; N380-I384 PolarHBondContact O-N 3.26Å; N381-I384 PolarHBondContact O-N 3.45Å; F382-I384 VanDerWaalsContact C-N 3.32Å; F382-I384 PolarHBondContact O-N 2.88Å; I384-T386 PolarHBondContact O-N 3.24Å; I384-R387 PolarHBondContact O-N 3.04Å; I384-R387 VanDerWaalsContact O-N 3.08Å; I384-A391 HydrophobicContact CG1-CB 4.39Å; I384-D396 HydrophobicContact CD1-CB 3.85Å; I384-D396 HydrophobicContact CG1-CB 3.81Å; I384-D396 HydrophobicContact CG2-CB 4.47Å; I384-V399 HydrophobicContact CG1-CG2 4.41Å
385	A	97.2	Very high	98.1	Very high	59 Å²	59	51.7 Å²	51.7	49%	0.488	27%	0.265	S	S	.	.	H	α-helix	trans	-60.9	-34.9	-178.6	0	0	0	0	0	112.4	N381 F382 L512	N381-A385 VanDerWaalsContact O-CB 3.29Å; N381-A385 WeakPolarHBondContact O-CB 3.35Å; N381-A385 PolarHBondContact O-N 3.16Å; F382-A385 PolarHBondContact O-N 3.17Å; A385-L512 HydrophobicContact CB-CD1 4.26Å
386	T	98	Very high	98	Very high	50 Å²	50	55.7 Å²	55.7	31%	0.307	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-5.3	178.4	58.1	0	0	0	0	114.1	F382 H383 I384 S388 L510 L512	F382-T386 HydrophobicContact CD1-CG2 4.23Å; F382-T386 HydrophobicContact CD2-CG2 4.49Å; F382-T386 HydrophobicContact CE1-CG2 3.86Å; F382-T386 HydrophobicContact CE2-CG2 4.15Å; F382-T386 HydrophobicContact CZ-CG2 3.82Å; F382-T386 WeakPolarHBondContact O-CB 3.33Å; F382-T386 WeakPolarHBondContact O-CG2 3.34Å; F382-T386 PolarHBondContact O-N 3.29Å; F382-T386 PolarHBondContact O-OG1 3.31Å; H383-T386 PolarHBondContact O-OG1 3.09Å; I384-T386 PolarHBondContact O-N 3.24Å; T386-S388 PolarHBondContact O-N 3.18Å; T386-L510 HydrophobicContact CG2-CD1 3.8Å; T386-L512 HydrophobicContact CG2-CD1 3.81Å
387	R	98.1	Very high	98	Very high	202 Å²	202	64.4 Å²	64.4	76%	0.762	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	42.8	-174.4	-54.7	177.6	-178.5	167.4	1.9	112.4	H383 I384	H383-R387 PolarHBondContact O-N 2.72Å; I384-R387 PolarHBondContact O-N 3.04Å; I384-R387 VanDerWaalsContact O-N 3.08Å
388	S	98.3	Very high	97.9	Very high	26 Å²	26	64.9 Å²	64.9	18%	0.182	32%	0.322	C	S	.	.			trans	-55.8	156.8	175.7	68.5	0	0	0	0	111.6	H383 T386 L390 A391 L392	H383-S388 WeakPolarHBondContact CB-OG 3.39Å; H383-S388 VanDerWaalsContact ND1-CB 3.35Å; H383-S388 WeakPolarHBondContact ND1-CB 3.32Å; H383-S388 PolarHBondContact ND1-OG 2.99Å; H383-S388 PolarHBondContact O-N 3.49Å; H383-S388 PolarHBondContact O-OG 3.39Å; H383-S388 VanDerWaalsContact O-OG 3.09Å; T386-S388 PolarHBondContact O-N 3.18Å; S388-L390 VanDerWaalsContact C-N 3.27Å; S388-L390 PolarHBondContact O-N 3.11Å; S388-A391 PolarHBondContact O-N 3.2Å; S388-A391 VanDerWaalsContact O-N 3.11Å; S388-A391 WeakPolarHBondContact OG-CB 3.47Å; S388-A391 PolarHBondContact OG-N 3.37Å; S388-L392 WeakPolarHBondContact O-CG 3.4Å; S388-L392 PolarHBondContact O-N 3.49Å; S388-L392 VanDerWaalsContact O-N 3.13Å
389	E	98.4	Very high	97.9	Very high	151 Å²	151	64.7 Å²	64.7	71%	0.706	32%	0.321	S	S	*	.	H	α-helix	trans	-56.1	-41.4	178.2	-176.2	174.7	-169.1	0	0	112.4	A391 L392 I393	E389-A391 PolarHBondContact O-N 3.28Å; E389-L392 PolarHBondContact O-N 2.88Å; E389-I393 HydrophobicContact CG-CD1 3.81Å; E389-I393 HydrophobicContact CG-CG1 4.38Å; E389-I393 WeakPolarHBondContact O-CG1 3.32Å; E389-I393 PolarHBondContact O-N 3.32Å
390	L	98.3	Very high	98	Very high	28 Å²	28	64.2 Å²	64.2	15%	0.147	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-42.6	177.1	-62.1	-177.6	0	0	0	112.1	S388 L392 I393 Y394 V399 L400 H403	S388-L390 VanDerWaalsContact C-N 3.27Å; S388-L390 PolarHBondContact O-N 3.11Å; L390-L392 VanDerWaalsContact C-N 3.28Å; L390-L392 PolarHBondContact O-N 3.04Å; L390-I393 PolarHBondContact O-N 3.41Å; L390-Y394 HydrophobicContact CB-CD2 4.5Å; L390-Y394 HydrophobicContact CD2-CE2 4.25Å; L390-Y394 WeakPolarHBondContact O-CD2 3.25Å; L390-Y394 PolarHBondContact O-N 3.34Å; L390-V399 VanDerWaalsContact C-CG1 3.46Å; L390-V399 HydrophobicContact CB-CG1 3.56Å; L390-L400 HydrophobicContact CD1-CD2 4.45Å; L390-H403 HydrophobicContact CD1-CB 4.16Å; L390-H403 HydrophobicContact CD2-CB 4.25Å
391	A	98.6	Very high	98	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-38.9	177.6	0	0	0	0	0	111.6	H383 I384 S388 E389 N395 D396 V399	H383-A391 HydrophobicContact CB-CB 4.29Å; H383-A391 WeakPolarHBondContact O-CB 3.44Å; I384-A391 HydrophobicContact CG1-CB 4.39Å; S388-A391 PolarHBondContact O-N 3.2Å; S388-A391 VanDerWaalsContact O-N 3.11Å; S388-A391 WeakPolarHBondContact OG-CB 3.47Å; S388-A391 PolarHBondContact OG-N 3.37Å; E389-A391 PolarHBondContact O-N 3.28Å; A391-N395 WeakPolarHBondContact O-CA 3.29Å; A391-N395 PolarHBondContact O-N 3.39Å; A391-D396 PolarHBondContact O-N 2.72Å; A391-V399 HydrophobicContact CB-CG1 4.34Å; A391-V399 HydrophobicContact CB-CG2 4.33Å
392	L	98.5	Very high	98.1	Very high	114 Å²	114	62.5 Å²	62.5	60%	0.597	31%	0.309	S	S	*	.	H	α-helix	trans	-68	-41.8	175.5	-60.9	176.7	0	0	0	112.4	S388 E389 L390	S388-L392 WeakPolarHBondContact O-CG 3.4Å; S388-L392 PolarHBondContact O-N 3.49Å; S388-L392 VanDerWaalsContact O-N 3.13Å; E389-L392 PolarHBondContact O-N 2.88Å; L390-L392 VanDerWaalsContact C-N 3.28Å; L390-L392 PolarHBondContact O-N 3.04Å
393	I	98.5	Very high	98.2	Very high	91 Å²	91	62.2 Å²	62.2	47%	0.467	31%	0.308	S	S	.	.	H	α-helix	trans	-64.8	-46.4	178.7	-71.4	169.6	0	0	0	111	E389 L390 N395	E389-I393 HydrophobicContact CG-CD1 3.81Å; E389-I393 HydrophobicContact CG-CG1 4.38Å; E389-I393 WeakPolarHBondContact O-CG1 3.32Å; E389-I393 PolarHBondContact O-N 3.32Å; L390-I393 PolarHBondContact O-N 3.41Å; I393-N395 PolarHBondContact O-ND2 3.15Å
394	Y	98.2	Very high	98.2	Very high	34 Å²	34	61.7 Å²	61.7	13%	0.133	31%	0.305	C	S	.	.	H	α-helix	trans	-94.4	8.3	-175	-61.7	-62.9	0	0	0	113.9	L390 D396 R397 V399 N402 H403 S406	L390-Y394 HydrophobicContact CB-CD2 4.5Å; L390-Y394 HydrophobicContact CD2-CE2 4.25Å; L390-Y394 WeakPolarHBondContact O-CD2 3.25Å; L390-Y394 PolarHBondContact O-N 3.34Å; Y394-D396 VanDerWaalsContact C-N 3.31Å; Y394-D396 PolarHBondContact O-N 2.81Å; Y394-R397 PolarHBondContact O-N 3.35Å; Y394-V399 VanDerWaalsContact CD2-O 3.29Å; Y394-V399 WeakPolarHBondContact CD2-O 3.29Å; Y394-N402 HydrophobicContact CD1-CB 3.38Å; Y394-N402 HydrophobicContact CD2-CB 4.12Å; Y394-N402 HydrophobicContact CE1-CB 3.55Å; Y394-N402 HydrophobicContact CE2-CB 4.28Å; Y394-N402 HydrophobicContact CG-CB 3.69Å; Y394-N402 PolarHBondContact OH-O 3.04Å; Y394-H403 HydrophobicContact CE2-CB 3.77Å; Y394-S406 VanDerWaalsContact OH-CB 3.27Å; Y394-S406 WeakPolarHBondContact OH-CB 3.44Å; Y394-S406 PolarHBondContact OH-OG 3.19Å
395	N	98.2	Very high	98.2	Very high	123 Å²	123	59.4 Å²	59.4	66%	0.658	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	47.5	175.2	-54.1	-83.8	0	0	0	112.5	A391 I393 R397	A391-N395 WeakPolarHBondContact O-CA 3.29Å; A391-N395 PolarHBondContact O-N 3.39Å; I393-N395 PolarHBondContact O-ND2 3.15Å; N395-R397 PolarHBondContact O-N 2.92Å; N395-R397 VanDerWaalsContact O-N 3.17Å
396	D	97.9	Very high	98.3	Very high	87 Å²	87	58.2 Å²	58.2	47%	0.465	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	21.3	178	-53.5	-29.2	0	0	0	115.2	I384 A391 Y394	I384-D396 HydrophobicContact CD1-CB 3.85Å; I384-D396 HydrophobicContact CG1-CB 3.81Å; I384-D396 HydrophobicContact CG2-CB 4.47Å; A391-D396 PolarHBondContact O-N 2.72Å; Y394-D396 VanDerWaalsContact C-N 3.31Å; Y394-D396 PolarHBondContact O-N 2.81Å
397	R	97.3	Very high	98.3	Very high	196 Å²	196	56.3 Å²	56.3	74%	0.74	27%	0.272	S	S	*	.	S	Bend	trans	-118.5	119.8	-178.6	-68.2	179.4	-179.7	-172.4	-0.7	111.9	Y394 N395 V399 N402	Y394-R397 PolarHBondContact O-N 3.35Å; N395-R397 PolarHBondContact O-N 2.92Å; N395-R397 VanDerWaalsContact O-N 3.17Å; R397-V399 PolarHBondContact O-N 3.37Å; R397-V399 VanDerWaalsContact O-N 3.16Å; R397-N402 PolarHBondContact O-ND2 3.41Å
398	G	96.3	Very high	98.3	Very high	14 Å²	14	46.7 Å²	46.7	14%	0.144	24%	0.235	C	C	.	.	S	Bend	trans	41.9	52.4	179.3	0	0	0	0	0	111.1	L400 E401 N402	G398-L400 VanDerWaalsContact C-N 3.3Å; G398-L400 PolarHBondContact O-N 3.29Å; G398-E401 VanDerWaalsContact CA-OE2 3.27Å; G398-E401 WeakPolarHBondContact CA-OE2 3.38Å; G398-E401 PolarHBondContact O-N 3.42Å; G398-N402 VanDerWaalsContact O-CB 3.3Å; G398-N402 WeakPolarHBondContact O-CB 3.46Å; G398-N402 PolarHBondContact O-N 3Å; G398-N402 PolarHBondContact O-ND2 3.38Å
399	V	98.4	Very high	98.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-45.7	-159.9	172.4	0	0	0	0	110.4	N380 H383 I384 L390 A391 Y394 R397 H403	N380-V399 WeakPolarHBondContact OD1-CB 3.36Å; N380-V399 PolarHBondContact OD1-N 2.82Å; H383-V399 HydrophobicContact CB-CG1 4.18Å; I384-V399 HydrophobicContact CG1-CG2 4.41Å; L390-V399 VanDerWaalsContact C-CG1 3.46Å; L390-V399 HydrophobicContact CB-CG1 3.56Å; A391-V399 HydrophobicContact CB-CG1 4.34Å; A391-V399 HydrophobicContact CB-CG2 4.33Å; Y394-V399 VanDerWaalsContact CD2-O 3.29Å; Y394-V399 WeakPolarHBondContact CD2-O 3.29Å; R397-V399 PolarHBondContact O-N 3.37Å; R397-V399 VanDerWaalsContact O-N 3.16Å; V399-H403 WeakPolarHBondContact O-CB 3.43Å; V399-H403 PolarHBondContact O-N 3.34Å
400	L	98.7	Very high	98.4	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-75.9	-46.1	179.4	-72.9	166.6	0	0	0	111.4	T376 T378 N380 L390 G398 N402 H403 H404	T376-L400 HydrophobicContact CG2-CD2 4.35Å; T378-L400 WeakPolarHBondContact O-CD1 3.43Å; N380-L400 WeakPolarHBondContact OD1-CB 3.45Å; N380-L400 WeakPolarHBondContact OD1-CD1 3.27Å; N380-L400 VanDerWaalsContact OD1-CG 3.31Å; N380-L400 WeakPolarHBondContact OD1-CG 3.19Å; N380-L400 PolarHBondContact OD1-N 3.1Å; L390-L400 HydrophobicContact CD1-CD2 4.45Å; G398-L400 VanDerWaalsContact C-N 3.3Å; G398-L400 PolarHBondContact O-N 3.29Å; L400-N402 VanDerWaalsContact C-N 3.3Å; L400-N402 PolarHBondContact O-N 3.17Å; L400-H403 CarbonylContact O-C 3.58Å; L400-H403 VanDerWaalsContact O-CA 3.31Å; L400-H403 WeakPolarHBondContact O-CA 3.36Å; L400-H403 VanDerWaalsContact O-CB 3.25Å; L400-H403 WeakPolarHBondContact O-CB 3.37Å; L400-H403 PolarHBondContact O-N 3.11Å; L400-H404 WeakPolarHBondContact CB-NE2 3.42Å; L400-H404 PolarHBondContact O-CD2 3.33Å; L400-H404 PolarHBondContact O-N 3Å; L400-H404 PolarHBondContact O-ND1 3.44Å; L400-H404 PolarHBondContact O-NE2 3.17Å
401	E	98.7	Very high	98.3	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.009	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-38	-178	-60.7	76.4	-166	0	0	111.7	N380 G398 V405 L440 D443	N380-E401 PolarHBondContact ND2-OE2 2.83Å; G398-E401 VanDerWaalsContact CA-OE2 3.27Å; G398-E401 WeakPolarHBondContact CA-OE2 3.38Å; G398-E401 PolarHBondContact O-N 3.42Å; E401-V405 WeakPolarHBondContact O-CG1 3.37Å; E401-V405 PolarHBondContact O-N 2.89Å; E401-L440 HydrophobicContact CB-CD2 4.06Å; E401-D443 HydrophobicContact CG-CB 3.89Å
402	N	98.7	Very high	98.3	Very high	47 Å²	47	44.9 Å²	44.9	25%	0.251	22%	0.218	S	C	.	.	H	α-helix	trans	-66.9	-37.5	170.3	-80.9	-84.6	0	0	0	112.1	Y394 R397 G398 L400 S406 L440	Y394-N402 HydrophobicContact CD1-CB 3.38Å; Y394-N402 HydrophobicContact CD2-CB 4.12Å; Y394-N402 HydrophobicContact CE1-CB 3.55Å; Y394-N402 HydrophobicContact CE2-CB 4.28Å; Y394-N402 HydrophobicContact CG-CB 3.69Å; Y394-N402 PolarHBondContact OH-O 3.04Å; R397-N402 PolarHBondContact O-ND2 3.41Å; G398-N402 VanDerWaalsContact O-CB 3.3Å; G398-N402 WeakPolarHBondContact O-CB 3.46Å; G398-N402 PolarHBondContact O-N 3Å; G398-N402 PolarHBondContact O-ND2 3.38Å; L400-N402 VanDerWaalsContact C-N 3.3Å; L400-N402 PolarHBondContact O-N 3.17Å; N402-S406 WeakPolarHBondContact O-CB 3.25Å; N402-S406 PolarHBondContact O-N 3.39Å; N402-S406 VanDerWaalsContact O-N 3.1Å; N402-L440 HydrophobicContact CB-CD2 4.45Å
403	H	98.8	Very high	98.2	Very high	16 Å²	16	46.1 Å²	46.1	7%	0.074	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-52.2	176.5	176.6	53.8	0	0	0	111.5	E374 L390 Y394 V399 L400 V405 S406 A407	E374-H403 IonicContact OE2-CE1 2.78Å; E374-H403 PolarHBondContact OE2-CE1 3.43Å; E374-H403 IonicContact OE2-NE2 3.4Å; E374-H403 PolarHBondContact OE2-NE2 3.12Å; L390-H403 HydrophobicContact CD1-CB 4.16Å; L390-H403 HydrophobicContact CD2-CB 4.25Å; Y394-H403 HydrophobicContact CE2-CB 3.77Å; V399-H403 WeakPolarHBondContact O-CB 3.43Å; V399-H403 PolarHBondContact O-N 3.34Å; L400-H403 CarbonylContact O-C 3.58Å; L400-H403 VanDerWaalsContact O-CA 3.31Å; L400-H403 WeakPolarHBondContact O-CA 3.36Å; L400-H403 VanDerWaalsContact O-CB 3.25Å; L400-H403 WeakPolarHBondContact O-CB 3.37Å; L400-H403 PolarHBondContact O-N 3.11Å; H403-V405 PolarHBondContact O-N 2.89Å; H403-S406 PolarHBondContact O-N 3.32Å; H403-A407 WeakPolarHBondContact O-CB 3.23Å; H403-A407 PolarHBondContact O-N 2.88Å
404	H	98.7	Very high	98.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-51.8	-58.9	-177.6	-57.2	-34.6	0	0	0	111.3	H371 D372 Y373 H375 L400 S406 A407 V408 V439	H371-H404 VanDerWaalsContact O-CB 3.27Å; H371-H404 WeakPolarHBondContact O-CB 3.47Å; H371-H404 PolarHBondContact O-CD2 3.47Å; D372-H404 IonicContact OD1-NE2 3.26Å; Y373-H404 PolarHBondContact O-ND1 3.09Å; H375-H404 AromaticContact CD2-NE2 3.73Å; L400-H404 WeakPolarHBondContact CB-NE2 3.42Å; L400-H404 PolarHBondContact O-CD2 3.33Å; L400-H404 PolarHBondContact O-N 3Å; L400-H404 PolarHBondContact O-ND1 3.44Å; L400-H404 PolarHBondContact O-NE2 3.17Å; H404-S406 PolarHBondContact O-N 3.25Å; H404-A407 PolarHBondContact O-N 2.72Å; H404-V408 PolarHBondContact O-N 2.94Å; H404-V439 HydrophobicContact CB-CG1 4.33Å
405	V	98.7	Very high	98	Very high	8 Å²	8	53.9 Å²	53.9	5%	0.048	26%	0.256	C	S	.	.	H	α-helix	trans	-65.6	-41.2	-178.8	71	0	0	0	0	111.9	I370 E401 H403 F409 V435 I436 V439	I370-V405 HydrophobicContact CD1-CG2 4.34Å; E401-V405 WeakPolarHBondContact O-CG1 3.37Å; E401-V405 PolarHBondContact O-N 2.89Å; H403-V405 PolarHBondContact O-N 2.89Å; V405-F409 HydrophobicContact CG2-CD2 3.66Å; V405-F409 HydrophobicContact CG2-CE2 3.63Å; V405-F409 VanDerWaalsContact O-CD2 3.25Å; V405-F409 WeakPolarHBondContact O-CD2 3.15Å; V405-F409 PolarHBondContact O-N 3.45Å; V405-F409 VanDerWaalsContact O-N 3.15Å; V405-V435 HydrophobicContact CG2-CG1 4.3Å; V405-I436 HydrophobicContact CG2-CG1 3.79Å; V405-V439 HydrophobicContact CB-CB 4.24Å; V405-V439 HydrophobicContact CB-CG1 4.02Å
406	S	98.7	Very high	97.8	Very high	34 Å²	34	53.5 Å²	53.5	24%	0.238	25%	0.251	C	S	.	.	H	α-helix	trans	-69	-38.3	-177	-168.1	0	0	0	0	112.4	Y394 N402 H403 H404 R410	Y394-S406 VanDerWaalsContact OH-CB 3.27Å; Y394-S406 WeakPolarHBondContact OH-CB 3.44Å; Y394-S406 PolarHBondContact OH-OG 3.19Å; N402-S406 WeakPolarHBondContact O-CB 3.25Å; N402-S406 PolarHBondContact O-N 3.39Å; N402-S406 VanDerWaalsContact O-N 3.1Å; H403-S406 PolarHBondContact O-N 3.32Å; H404-S406 PolarHBondContact O-N 3.25Å; S406-R410 WeakPolarHBondContact O-CG 3.29Å; S406-R410 PolarHBondContact O-N 3.5Å; S406-R410 VanDerWaalsContact O-N 3.12Å; S406-R410 PolarHBondContact OG-NH1 2.93Å
407	A	98.7	Very high	97.7	Very high	10 Å²	10	50 Å²	50	8%	0.083	23%	0.231	C	C	.	.	H	α-helix	trans	-67.2	-46.4	178.8	0	0	0	0	0	111.5	Y373 H403 H404 R410 L411	Y373-A407 HydrophobicContact CD1-CB 4.03Å; Y373-A407 HydrophobicContact CE1-CB 3.95Å; H403-A407 WeakPolarHBondContact O-CB 3.23Å; H403-A407 PolarHBondContact O-N 2.88Å; H404-A407 PolarHBondContact O-N 2.72Å; A407-R410 WeakPolarHBondContact O-CB 3.31Å; A407-R410 PolarHBondContact O-N 2.97Å; A407-L411 PolarHBondContact O-N 3.35Å
408	V	98.8	Very high	97.7	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.8	-40.3	179.3	178.9	0	0	0	0	112.2	L318 F366 I370 Y373 H404 R410 L411 M412	L318-V408 HydrophobicContact CD2-CG1 4.21Å; L318-V408 HydrophobicContact CD2-CG2 3.66Å; F366-V408 HydrophobicContact CE1-CG1 4.49Å; F366-V408 HydrophobicContact CZ-CG1 3.94Å; I370-V408 HydrophobicContact CB-CB 4.43Å; I370-V408 HydrophobicContact CB-CG1 4.42Å; I370-V408 HydrophobicContact CB-CG2 4.01Å; I370-V408 HydrophobicContact CD1-CB 4.28Å; I370-V408 HydrophobicContact CD1-CG1 4.42Å; I370-V408 HydrophobicContact CG2-CB 4.37Å; I370-V408 HydrophobicContact CG2-CG1 3.83Å; I370-V408 HydrophobicContact CG2-CG2 4.16Å; Y373-V408 HydrophobicContact CD1-CG2 3.31Å; Y373-V408 HydrophobicContact CD2-CG2 4.3Å; Y373-V408 HydrophobicContact CE1-CG2 3.94Å; Y373-V408 HydrophobicContact CG-CG2 3.52Å; H404-V408 PolarHBondContact O-N 2.94Å; V408-R410 VanDerWaalsContact C-N 3.29Å; V408-R410 PolarHBondContact O-N 3.41Å; V408-L411 WeakPolarHBondContact O-CB 3.31Å; V408-L411 PolarHBondContact O-N 3.21Å; V408-M412 HydrophobicContact CG1-CE 4.27Å; V408-M412 HydrophobicContact CG1-CG 4.49Å; V408-M412 WeakPolarHBondContact O-CG 3.35Å; V408-M412 PolarHBondContact O-N 2.89Å
409	F	98.7	Very high	97.7	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.035	20%	0.199	C	C	.	.	H	α-helix	trans	-68.3	-27	175.6	-84.7	-72.5	0	0	0	113.8	V405 M412 Q413 L420 F431 R432 V435 I436	V405-F409 HydrophobicContact CG2-CD2 3.66Å; V405-F409 HydrophobicContact CG2-CE2 3.63Å; V405-F409 VanDerWaalsContact O-CD2 3.25Å; V405-F409 WeakPolarHBondContact O-CD2 3.15Å; V405-F409 PolarHBondContact O-N 3.45Å; V405-F409 VanDerWaalsContact O-N 3.15Å; F409-M412 HydrophobicContact CD1-CE 3.34Å; F409-M412 HydrophobicContact CE1-CE 3.6Å; F409-M412 HydrophobicContact CG-CE 3.95Å; F409-M412 HydrophobicContact CZ-CE 4.38Å; F409-Q413 PolarHBondContact O-NE2 3.09Å; F409-L420 HydrophobicContact CE1-CD1 3.98Å; F409-F431 HydrophobicContact CZ-CE1 4.37Å; F409-R432 VanDerWaalsContact CB-NH1 3.3Å; F409-R432 HydrophobicContact CE1-CB 4.26Å; F409-R432 HydrophobicContact CE1-CG 4.02Å; F409-R432 HydrophobicContact CE2-CG 4.27Å; F409-R432 HydrophobicContact CZ-CB 4.08Å; F409-R432 HydrophobicContact CZ-CG 3.8Å; F409-V435 HydrophobicContact CE2-CB 4.34Å; F409-V435 HydrophobicContact CE2-CG1 3.86Å; F409-V435 HydrophobicContact CZ-CB 4.28Å; F409-V435 HydrophobicContact CZ-CG1 4.14Å; F409-I436 HydrophobicContact CE2-CG1 4.38Å
410	R	98.4	Very high	97.7	Very high	132 Å²	132	42 Å²	42	50%	0.498	20%	0.202	S	C	.	.	H	α-helix	trans	-69	-44.5	168.7	-82.2	-170.9	-67.4	-89.5	-4.6	111.1	S406 A407 V408 M412 Q413	S406-R410 WeakPolarHBondContact O-CG 3.29Å; S406-R410 PolarHBondContact O-N 3.5Å; S406-R410 VanDerWaalsContact O-N 3.12Å; S406-R410 PolarHBondContact OG-NH1 2.93Å; A407-R410 WeakPolarHBondContact O-CB 3.31Å; A407-R410 PolarHBondContact O-N 2.97Å; V408-R410 VanDerWaalsContact C-N 3.29Å; V408-R410 PolarHBondContact O-N 3.41Å; R410-M412 VanDerWaalsContact C-N 3.31Å; R410-M412 PolarHBondContact O-N 3.12Å; R410-Q413 VanDerWaalsContact O-CB 3.22Å; R410-Q413 WeakPolarHBondContact O-CB 3.44Å; R410-Q413 WeakPolarHBondContact O-CG 3.37Å; R410-Q413 PolarHBondContact O-N 3.49Å
411	L	97.6	Very high	97.6	Very high	20 Å²	20	46.8 Å²	46.8	11%	0.105	23%	0.231	C	C	.	.	H	α-helix	trans	-56.8	-45.2	177	-176.5	69.2	0	0	0	111.3	L314 Q317 A407 V408 Q413 E414 F417	L314-L411 HydrophobicContact CD1-CD2 3.7Å; L314-L411 HydrophobicContact CD1-CG 4.48Å; Q317-L411 HydrophobicContact CB-CD2 4.16Å; Q317-L411 HydrophobicContact CG-CD1 3.9Å; Q317-L411 HydrophobicContact CG-CD2 3.46Å; Q317-L411 VanDerWaalsContact CG-CD2 3.46Å; Q317-L411 HydrophobicContact CG-CG 4.27Å; A407-L411 PolarHBondContact O-N 3.35Å; V408-L411 WeakPolarHBondContact O-CB 3.31Å; V408-L411 PolarHBondContact O-N 3.21Å; L411-Q413 PolarHBondContact O-N 3.34Å; L411-E414 WeakPolarHBondContact O-CB 3.44Å; L411-E414 PolarHBondContact O-N 3.49Å; L411-F417 HydrophobicContact CD1-CD2 3.33Å; L411-F417 HydrophobicContact CD1-CE2 3.47Å; L411-F417 VanDerWaalsContact CD1-CE2 3.47Å; L411-F417 HydrophobicContact CD1-CG 4.12Å; L411-F417 HydrophobicContact CD1-CZ 4.31Å; L411-F417 HydrophobicContact CD2-CD2 4.44Å; L411-F417 HydrophobicContact CD2-CG 4.43Å; L411-F417 HydrophobicContact CG-CB 4.14Å; L411-F417 HydrophobicContact CG-CD2 3.57Å; L411-F417 HydrophobicContact CG-CE2 4.2Å; L411-F417 HydrophobicContact CG-CG 3.92Å
412	M	98	Very high	97.4	Very high	7 Å²	7	47.9 Å²	47.9	3%	0.034	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-1.1	177.3	-65.7	-169.2	-65.6	0	0	115	L314 F366 V408 F409 R410 E414 F417 S418 I419 L420	L314-M412 HydrophobicContact CD1-CG 4.27Å; L314-M412 HydrophobicContact CD2-CG 4.24Å; L314-M412 HydrophobicContact CD2-SD 4.1Å; F366-M412 HydrophobicContact CE1-CE 3.79Å; F366-M412 HydrophobicContact CE1-SD 4.32Å; F366-M412 HydrophobicContact CE2-SD 4.15Å; F366-M412 HydrophobicContact CZ-CE 3.53Å; F366-M412 HydrophobicContact CZ-SD 3.5Å; F366-M412 VanDerWaalsContact CZ-SD 3.5Å; V408-M412 HydrophobicContact CG1-CE 4.27Å; V408-M412 HydrophobicContact CG1-CG 4.49Å; V408-M412 WeakPolarHBondContact O-CG 3.35Å; V408-M412 PolarHBondContact O-N 2.89Å; F409-M412 HydrophobicContact CD1-CE 3.34Å; F409-M412 HydrophobicContact CE1-CE 3.6Å; F409-M412 HydrophobicContact CG-CE 3.95Å; F409-M412 HydrophobicContact CZ-CE 4.38Å; R410-M412 VanDerWaalsContact C-N 3.31Å; R410-M412 PolarHBondContact O-N 3.12Å; M412-E414 VanDerWaalsContact C-N 3.26Å; M412-F417 WeakPolarHBondContact CG-O 3.45Å; M412-S418 PolarHBondContact O-OG 2.84Å; M412-I419 HydrophobicContact SD-CG1 3.98Å; M412-L420 HydrophobicContact CE-CD1 3.72Å; M412-L420 HydrophobicContact CE-CG 4.5Å; M412-L420 HydrophobicContact SD-CD1 4.02Å; M412-L420 HydrophobicContact SD-CG 4.15Å
413	Q	97.1	Very high	97.4	Very high	140 Å²	140	46.5 Å²	46.5	65%	0.654	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-20	166.6	-59.7	-56.9	-68	0	0	111.9	F409 R410 L411	F409-Q413 PolarHBondContact O-NE2 3.09Å; R410-Q413 VanDerWaalsContact O-CB 3.22Å; R410-Q413 WeakPolarHBondContact O-CB 3.44Å; R410-Q413 WeakPolarHBondContact O-CG 3.37Å; R410-Q413 PolarHBondContact O-N 3.49Å; L411-Q413 PolarHBondContact O-N 3.34Å
414	E	96.3	Very high	97.3	Very high	106 Å²	106	52.1 Å²	52.1	50%	0.495	26%	0.262	S	S	.	.	S	Bend	trans	-80.5	133.3	173.1	-56.6	178.4	-145.2	0	0	109.2	L411 M412 E416 F417 S418	L411-E414 WeakPolarHBondContact O-CB 3.44Å; L411-E414 PolarHBondContact O-N 3.49Å; M412-E414 VanDerWaalsContact C-N 3.26Å; E414-E416 PolarHBondContact O-N 3.15Å; E414-F417 HydrophobicContact CB-CD2 3.9Å; E414-F417 HydrophobicContact CB-CE2 4.37Å; E414-F417 PolarHBondContact O-N 3.3Å; E414-S418 PolarHBondContact O-N 3.39Å
415	E	94.8	Very high	97.3	Very high	182 Å²	182	56 Å²	56	85%	0.85	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-57.2	-34.6	-175.2	-174	176.4	180	0	0	112.2	F417 S418	E415-F417 PolarHBondContact O-N 2.93Å; E415-S418 PolarHBondContact O-N 2.88Å
416	E	94.7	Very high	97.3	Very high	115 Å²	115	61.8 Å²	61.8	54%	0.537	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-60.7	-27.5	178.5	-174.4	172.6	-177.7	0	0	113.6	A310 E414	A310-E416 VanDerWaalsContact CA-O 3.25Å; A310-E416 WeakPolarHBondContact CA-O 3.41Å; A310-E416 WeakPolarHBondContact CB-O 3.41Å; E414-E416 PolarHBondContact O-N 3.15Å
417	F	96.7	Very high	97.3	Very high	14 Å²	14	62.7 Å²	62.7	6%	0.061	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-113.8	8	-176.8	-49.2	-58	0	0	0	112.7	L314 Q317 L411 M412 E414 E415 I419	L314-F417 HydrophobicContact CB-CB 4.26Å; L314-F417 HydrophobicContact CB-CD1 4.46Å; L314-F417 HydrophobicContact CD1-CB 4.15Å; Q317-F417 HydrophobicContact CB-CD1 4.32Å; Q317-F417 HydrophobicContact CB-CE1 3.93Å; Q317-F417 HydrophobicContact CB-CZ 4.41Å; Q317-F417 HydrophobicContact CG-CE1 4.24Å; Q317-F417 HydrophobicContact CG-CZ 4.24Å; L411-F417 HydrophobicContact CD1-CD2 3.33Å; L411-F417 HydrophobicContact CD1-CE2 3.47Å; L411-F417 VanDerWaalsContact CD1-CE2 3.47Å; L411-F417 HydrophobicContact CD1-CG 4.12Å; L411-F417 HydrophobicContact CD1-CZ 4.31Å; L411-F417 HydrophobicContact CD2-CD2 4.44Å; L411-F417 HydrophobicContact CD2-CG 4.43Å; L411-F417 HydrophobicContact CG-CB 4.14Å; L411-F417 HydrophobicContact CG-CD2 3.57Å; L411-F417 HydrophobicContact CG-CE2 4.2Å; L411-F417 HydrophobicContact CG-CG 3.92Å; M412-F417 WeakPolarHBondContact CG-O 3.45Å; E414-F417 HydrophobicContact CB-CD2 3.9Å; E414-F417 HydrophobicContact CB-CE2 4.37Å; E414-F417 PolarHBondContact O-N 3.3Å; E415-F417 PolarHBondContact O-N 2.93Å; F417-I419 PolarHBondContact O-N 3.18Å; F417-I419 VanDerWaalsContact O-N 3.16Å
418	S	95.9	Very high	97.2	Very high	27 Å²	27	66 Å²	66	19%	0.189	34%	0.336	C	S	.	.			trans	-85.4	92.5	-169.4	-153.6	0	0	0	0	112.8	M412 E414 E415 T421	M412-S418 PolarHBondContact O-OG 2.84Å; E414-S418 PolarHBondContact O-N 3.39Å; E415-S418 PolarHBondContact O-N 2.88Å; S418-T421 WeakPolarHBondContact OG-CG2 3.47Å
419	I	97.7	Very high	97.2	Very high	2 Å²	2	73.4 Å²	73.4	1%	0.01	37%	0.368	C	S	.	.			trans	-91.9	-6.9	-178.6	67.2	160.3	0	0	0	114.7	I306 A310 L311 L314 F362 F366 M412 F417	I306-I419 HydrophobicContact CG2-CB 3.83Å; I306-I419 HydrophobicContact CG2-CG2 4.09Å; A310-I419 HydrophobicContact CB-CG2 4.41Å; L311-I419 HydrophobicContact CB-CG2 4.04Å; L311-I419 HydrophobicContact CD1-CD1 4.34Å; L311-I419 HydrophobicContact CD1-CG2 4.23Å; L314-I419 HydrophobicContact CB-CG2 4.46Å; L314-I419 HydrophobicContact CD2-CD1 3.8Å; L314-I419 HydrophobicContact CD2-CG1 3.89Å; L314-I419 HydrophobicContact CD2-CG2 3.88Å; F362-I419 HydrophobicContact CE2-CD1 4.28Å; F362-I419 HydrophobicContact CZ-CD1 3.99Å; F366-I419 HydrophobicContact CD2-CD1 3.98Å; F366-I419 HydrophobicContact CE2-CD1 3.67Å; M412-I419 HydrophobicContact SD-CG1 3.98Å; F417-I419 PolarHBondContact O-N 3.18Å; F417-I419 VanDerWaalsContact O-N 3.16Å
420	L	97.8	Very high	97.2	Very high	13 Å²	13	77.3 Å²	77.3	7%	0.068	39%	0.386	C	S	.	.			trans	-101.6	5.2	-171.4	-55.5	179.2	0	0	0	113.5	F362 F409 M412 G422 L423 Y428 F431	F362-L420 HydrophobicContact CE1-CD2 3.62Å; F362-L420 HydrophobicContact CZ-CD2 3.59Å; F409-L420 HydrophobicContact CE1-CD1 3.98Å; M412-L420 HydrophobicContact CE-CD1 3.72Å; M412-L420 HydrophobicContact CE-CG 4.5Å; M412-L420 HydrophobicContact SD-CD1 4.02Å; M412-L420 HydrophobicContact SD-CG 4.15Å; L420-G422 PolarHBondContact O-N 2.83Å; L420-L423 HydrophobicContact CB-CD1 4.27Å; L420-L423 HydrophobicContact CD2-CD1 4.02Å; L420-L423 WeakPolarHBondContact O-CB 3.22Å; L420-L423 PolarHBondContact O-N 3.24Å; L420-L423 VanDerWaalsContact O-N 3.12Å; L420-Y428 HydrophobicContact CB-CD2 4.14Å; L420-Y428 HydrophobicContact CB-CE2 4.29Å; L420-Y428 HydrophobicContact CD1-CD2 4.16Å; L420-Y428 HydrophobicContact CD1-CE2 3.8Å; L420-F431 HydrophobicContact CD1-CD1 3.97Å; L420-F431 HydrophobicContact CD1-CE1 3.58Å; L420-F431 HydrophobicContact CD2-CD1 4.09Å; L420-F431 HydrophobicContact CD2-CE1 3.53Å; L420-F431 HydrophobicContact CD2-CE2 4.44Å; L420-F431 HydrophobicContact CD2-CZ 3.71Å; L420-F431 HydrophobicContact CG-CE1 4.22Å
421	T	95.5	Very high	97.2	Very high	100 Å²	100	71 Å²	71	61%	0.613	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.5	-174.8	51.3	0	0	0	0	113.8	S418	S418-T421 WeakPolarHBondContact OG-CG2 3.47Å
422	G	95.8	Very high	97.3	Very high	24 Å²	24	74.2 Å²	74.2	25%	0.247	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-3.7	175.4	0	0	0	0	0	115	F304 L420	F304-G422 WeakPolarHBondContact O-CA 3.49Å; L420-G422 PolarHBondContact O-N 2.83Å
423	L	97.8	Very high	97.3	Very high	18 Å²	18	78.7 Å²	78.7	9%	0.094	39%	0.394	C	S	.	.	S	Bend	trans	-79.2	136.6	174.3	-62.8	-175.6	0	0	0	111.2	F304 L359 F362 L420 Q427 F431	F304-L423 HydrophobicContact CB-CD2 4.01Å; F304-L423 HydrophobicContact CD1-CD2 3.23Å; F304-L423 HydrophobicContact CE1-CD2 3.73Å; F304-L423 HydrophobicContact CG-CD2 3.69Å; L359-L423 HydrophobicContact CD1-CD1 4.42Å; L359-L423 HydrophobicContact CD1-CD2 3.95Å; F362-L423 HydrophobicContact CE1-CD1 4.44Å; L420-L423 HydrophobicContact CB-CD1 4.27Å; L420-L423 HydrophobicContact CD2-CD1 4.02Å; L420-L423 WeakPolarHBondContact O-CB 3.22Å; L420-L423 PolarHBondContact O-N 3.24Å; L420-L423 VanDerWaalsContact O-N 3.12Å; L423-Q427 HydrophobicContact CB-CB 4.14Å; L423-Q427 HydrophobicContact CD2-CB 4.31Å; L423-F431 HydrophobicContact CD1-CB 4Å; L423-F431 HydrophobicContact CD1-CD1 4.3Å; L423-F431 HydrophobicContact CD1-CD2 4.5Å; L423-F431 HydrophobicContact CD1-CG 4.02Å
424	E	97.4	Very high	97.4	Very high	135 Å²	135	72.4 Å²	72.4	63%	0.631	37%	0.365	S	S	*	.			trans	-64.5	158.9	167.6	-63.4	178	-176	0	0	110.9	D426 Q427 Y428	E424-D426 VanDerWaalsContact C-N 3.29Å; E424-D426 PolarHBondContact O-N 3.42Å; E424-Q427 HydrophobicContact CB-CB 4.41Å; E424-Q427 HydrophobicContact CB-CG 4.15Å; E424-Q427 CarbonylContact O-C 3.56Å; E424-Q427 WeakPolarHBondContact O-CB 3.3Å; E424-Q427 PolarHBondContact O-N 3.17Å; E424-Y428 PolarHBondContact O-N 3.44Å
425	A	97.8	Very high	97.5	Very high	82 Å²	82	67.3 Å²	67.3	68%	0.678	34%	0.341	S	S	*	.	H	α-helix	trans	-56	-40.6	-175.1	0	0	0	0	0	113.6	K429	A425-K429 WeakPolarHBondContact O-CB 3.45Å; A425-K429 PolarHBondContact O-N 3.42Å; A425-K429 VanDerWaalsContact O-N 3.13Å
426	D	98.3	Very high	97.7	Very high	128 Å²	128	60.3 Å²	60.3	68%	0.684	31%	0.309	S	S	*	.	H	α-helix	trans	-70.9	-39.6	177.2	-71	-25.5	0	0	0	111.5	E424 K429 E430	E424-D426 VanDerWaalsContact C-N 3.29Å; E424-D426 PolarHBondContact O-N 3.42Å; D426-K429 PolarHBondContact O-N 2.79Å; D426-E430 WeakPolarHBondContact O-CB 3.39Å; D426-E430 PolarHBondContact O-N 3.37Å
427	Q	98.4	Very high	97.9	Very high	53 Å²	53	57.2 Å²	57.2	25%	0.248	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-44.3	175.3	-66	178.1	-40.1	0	0	111.7	L359 L423 E424 K429 E430 F431	L359-Q427 HydrophobicContact CD1-CB 4.24Å; L359-Q427 HydrophobicContact CD2-CB 4.13Å; L359-Q427 HydrophobicContact CD2-CG 4.4Å; L423-Q427 HydrophobicContact CB-CB 4.14Å; L423-Q427 HydrophobicContact CD2-CB 4.31Å; E424-Q427 HydrophobicContact CB-CB 4.41Å; E424-Q427 HydrophobicContact CB-CG 4.15Å; E424-Q427 CarbonylContact O-C 3.56Å; E424-Q427 WeakPolarHBondContact O-CB 3.3Å; E424-Q427 PolarHBondContact O-N 3.17Å; Q427-K429 VanDerWaalsContact C-N 3.31Å; Q427-K429 PolarHBondContact O-N 3.33Å; Q427-E430 PolarHBondContact O-N 3.23Å; Q427-F431 WeakPolarHBondContact O-CB 3.36Å; Q427-F431 PolarHBondContact O-N 3.47Å
428	Y	98.6	Very high	98	Very high	80 Å²	80	56.5 Å²	56.5	31%	0.314	29%	0.293	S	S	.	.	H	α-helix	trans	-60.7	-42.7	176.4	174.6	-95.5	0	0	0	111.2	L420 E424 R432	L420-Y428 HydrophobicContact CB-CD2 4.14Å; L420-Y428 HydrophobicContact CB-CE2 4.29Å; L420-Y428 HydrophobicContact CD1-CD2 4.16Å; L420-Y428 HydrophobicContact CD1-CE2 3.8Å; E424-Y428 PolarHBondContact O-N 3.44Å; Y428-R432 WeakPolarHBondContact O-CB 3.41Å; Y428-R432 PolarHBondContact O-N 2.95Å
429	K	98.5	Very high	98.2	Very high	156 Å²	156	55.2 Å²	55.2	68%	0.678	28%	0.284	S	S	*	.	H	α-helix	trans	-63.3	-46.5	177.8	-176.3	-176.8	175.9	-172.4	0	111.6	A425 D426 Q427 Q433	A425-K429 WeakPolarHBondContact O-CB 3.45Å; A425-K429 PolarHBondContact O-N 3.42Å; A425-K429 VanDerWaalsContact O-N 3.13Å; D426-K429 PolarHBondContact O-N 2.79Å; Q427-K429 VanDerWaalsContact C-N 3.31Å; Q427-K429 PolarHBondContact O-N 3.33Å; K429-Q433 WeakPolarHBondContact O-CB 3.41Å; K429-Q433 PolarHBondContact O-N 3.5Å
430	E	98.5	Very high	98.2	Very high	90 Å²	90	57.4 Å²	57.4	42%	0.421	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-50.8	177.6	-177.7	175.3	-179.7	0	0	111.5	L359 D426 Q427 R432 Q433 L434	L359-E430 HydrophobicContact CD2-CB 4.03Å; L359-E430 HydrophobicContact CD2-CG 3.99Å; D426-E430 WeakPolarHBondContact O-CB 3.39Å; D426-E430 PolarHBondContact O-N 3.37Å; Q427-E430 PolarHBondContact O-N 3.23Å; E430-R432 PolarHBondContact O-N 3.2Å; E430-Q433 PolarHBondContact O-N 2.94Å; E430-L434 HydrophobicContact CG-CD1 4.16Å; E430-L434 WeakPolarHBondContact O-CG 3.17Å; E430-L434 PolarHBondContact O-N 3.46Å
431	F	98.8	Very high	98.2	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-53.8	-50.8	176.1	174.6	-91.4	0	0	0	111.7	L359 F362 A363 F366 F409 L420 L423 Q427 Q433 L434 V435	L359-F431 HydrophobicContact CD1-CB 4.05Å; L359-F431 HydrophobicContact CD1-CD2 4.3Å; L359-F431 HydrophobicContact CG-CB 4.42Å; F362-F431 HydrophobicContact CB-CE2 4.28Å; F362-F431 AromaticContact CD1-CD2 3.8Å; F362-F431 HydrophobicContact CD1-CD2 3.8Å; F362-F431 AromaticContact CD1-CE2 3.45Å; F362-F431 HydrophobicContact CD1-CE2 3.45Å; F362-F431 VanDerWaalsContact CD1-CE2 3.45Å; F362-F431 HydrophobicContact CD1-CZ 4.3Å; F362-F431 AromaticContact CD2-CE2 3.98Å; F362-F431 HydrophobicContact CD2-CE2 3.98Å; F362-F431 HydrophobicContact CE1-CD2 4.17Å; F362-F431 AromaticContact CE1-CE2 3.64Å; F362-F431 HydrophobicContact CE1-CE2 3.64Å; F362-F431 HydrophobicContact CE1-CZ 4.03Å; F362-F431 HydrophobicContact CE2-CE2 4.13Å; F362-F431 HydrophobicContact CE2-CZ 4.3Å; F362-F431 HydrophobicContact CG-CD2 4.22Å; F362-F431 AromaticContact CG-CE2 3.63Å; F362-F431 HydrophobicContact CG-CE2 3.63Å; F362-F431 AromaticContact CZ-CE2 3.97Å; F362-F431 HydrophobicContact CZ-CE2 3.97Å; F362-F431 HydrophobicContact CZ-CZ 4.03Å; A363-F431 HydrophobicContact CB-CD2 3.92Å; A363-F431 HydrophobicContact CB-CE2 4.19Å; F366-F431 HydrophobicContact CB-CE2 4.12Å; F366-F431 HydrophobicContact CB-CZ 3.76Å; F366-F431 AromaticContact CD1-CE1 3.95Å; F366-F431 HydrophobicContact CD1-CE1 3.95Å; F366-F431 AromaticContact CD1-CZ 3.51Å; F366-F431 HydrophobicContact CD1-CZ 3.51Å; F366-F431 HydrophobicContact CD2-CZ 4.46Å; F366-F431 HydrophobicContact CE1-CE1 4.29Å; F366-F431 HydrophobicContact CE1-CZ 4.22Å; F366-F431 HydrophobicContact CG-CE1 4.49Å; F366-F431 HydrophobicContact CG-CE2 4.48Å; F366-F431 AromaticContact CG-CZ 3.65Å; F366-F431 HydrophobicContact CG-CZ 3.65Å; F409-F431 HydrophobicContact CZ-CE1 4.37Å; L420-F431 HydrophobicContact CD1-CD1 3.97Å; L420-F431 HydrophobicContact CD1-CE1 3.58Å; L420-F431 HydrophobicContact CD2-CD1 4.09Å; L420-F431 HydrophobicContact CD2-CE1 3.53Å; L420-F431 HydrophobicContact CD2-CE2 4.44Å; L420-F431 HydrophobicContact CD2-CZ 3.71Å; L420-F431 HydrophobicContact CG-CE1 4.22Å; L423-F431 HydrophobicContact CD1-CB 4Å; L423-F431 HydrophobicContact CD1-CD1 4.3Å; L423-F431 HydrophobicContact CD1-CD2 4.5Å; L423-F431 HydrophobicContact CD1-CG 4.02Å; Q427-F431 WeakPolarHBondContact O-CB 3.36Å; Q427-F431 PolarHBondContact O-N 3.47Å; F431-Q433 VanDerWaalsContact C-N 3.33Å; F431-Q433 PolarHBondContact O-N 3.33Å; F431-L434 PolarHBondContact O-N 3.32Å; F431-V435 HydrophobicContact CD1-CG2 4.26Å; F431-V435 HydrophobicContact CD2-CG2 4.45Å; F431-V435 HydrophobicContact CE1-CG2 3.89Å; F431-V435 HydrophobicContact CE2-CG2 4.13Å; F431-V435 HydrophobicContact CZ-CG2 3.85Å; F431-V435 VanDerWaalsContact O-CG2 3.3Å; F431-V435 WeakPolarHBondContact O-CG2 3.46Å; F431-V435 PolarHBondContact O-N 2.92Å
432	R	98.6	Very high	98.3	Very high	86 Å²	86	53.4 Å²	53.4	33%	0.325	27%	0.272	S	S	.	.	H	α-helix	trans	-62.2	-41.7	-179.3	176.7	174.4	171.6	73.9	4.4	111.5	F409 Y428 E430 I436	F409-R432 VanDerWaalsContact CB-NH1 3.3Å; F409-R432 HydrophobicContact CE1-CB 4.26Å; F409-R432 HydrophobicContact CE1-CG 4.02Å; F409-R432 HydrophobicContact CE2-CG 4.27Å; F409-R432 HydrophobicContact CZ-CB 4.08Å; F409-R432 HydrophobicContact CZ-CG 3.8Å; Y428-R432 WeakPolarHBondContact O-CB 3.41Å; Y428-R432 PolarHBondContact O-N 2.95Å; E430-R432 PolarHBondContact O-N 3.2Å; R432-I436 HydrophobicContact CG-CD1 3.75Å; R432-I436 HydrophobicContact CG-CG1 4.47Å; R432-I436 WeakPolarHBondContact O-CB 3.37Å; R432-I436 WeakPolarHBondContact O-CD1 3.42Å; R432-I436 VanDerWaalsContact O-CG1 3.22Å; R432-I436 WeakPolarHBondContact O-CG1 3.33Å; R432-I436 PolarHBondContact O-N 2.95Å
433	Q	98.7	Very high	98.4	Very high	101 Å²	101	52.9 Å²	52.9	47%	0.472	26%	0.264	S	S	.	.	H	α-helix	trans	-63.9	-47.3	178.2	-174.2	60.3	56.1	0	0	111	K429 E430 F431 V435 I436 D437	K429-Q433 WeakPolarHBondContact O-CB 3.41Å; K429-Q433 PolarHBondContact O-N 3.5Å; E430-Q433 PolarHBondContact O-N 2.94Å; F431-Q433 VanDerWaalsContact C-N 3.33Å; F431-Q433 PolarHBondContact O-N 3.33Å; Q433-V435 PolarHBondContact O-N 3.04Å; Q433-I436 PolarHBondContact O-N 3.41Å; Q433-D437 PolarHBondContact NE2-OD1 3.05Å; Q433-D437 PolarHBondContact NE2-OD2 3.39Å; Q433-D437 WeakPolarHBondContact O-CB 3.46Å; Q433-D437 VanDerWaalsContact O-CG 3.29Å; Q433-D437 PolarHBondContact O-N 3.2Å
434	L	98.8	Very high	98.1	Very high	8 Å²	8	52.7 Å²	52.7	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-58	-47.8	177	-74.3	174.4	0	0	0	111.9	A363 E430 F431 I436 D437 M438 T467 L470	A363-L434 HydrophobicContact CB-CB 3.86Å; A363-L434 HydrophobicContact CB-CD1 4.05Å; E430-L434 HydrophobicContact CG-CD1 4.16Å; E430-L434 WeakPolarHBondContact O-CG 3.17Å; E430-L434 PolarHBondContact O-N 3.46Å; F431-L434 PolarHBondContact O-N 3.32Å; L434-I436 PolarHBondContact O-N 3.48Å; L434-D437 PolarHBondContact O-N 2.92Å; L434-M438 HydrophobicContact CB-CE 4.06Å; L434-M438 WeakPolarHBondContact O-CB 3.23Å; L434-M438 WeakPolarHBondContact O-CE 3.24Å; L434-M438 WeakPolarHBondContact O-CG 3.33Å; L434-M438 PolarHBondContact O-N 3.33Å; L434-T467 HydrophobicContact CD2-CG2 4.18Å; L434-L470 HydrophobicContact CD2-CD1 4.3Å
435	V	98.9	Very high	98	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-43	179.8	171.9	0	0	0	0	111.4	A363 F366 A367 I370 V405 F409 F431 Q433 M438 V439	A363-V435 HydrophobicContact CB-CG2 4.1Å; F366-V435 HydrophobicContact CD1-CG1 4.03Å; F366-V435 HydrophobicContact CD1-CG2 3.97Å; F366-V435 HydrophobicContact CE1-CG1 4.42Å; A367-V435 HydrophobicContact CB-CG1 4.32Å; I370-V435 HydrophobicContact CD1-CG1 3.71Å; V405-V435 HydrophobicContact CG2-CG1 4.3Å; F409-V435 HydrophobicContact CE2-CB 4.34Å; F409-V435 HydrophobicContact CE2-CG1 3.86Å; F409-V435 HydrophobicContact CZ-CB 4.28Å; F409-V435 HydrophobicContact CZ-CG1 4.14Å; F431-V435 HydrophobicContact CD1-CG2 4.26Å; F431-V435 HydrophobicContact CD2-CG2 4.45Å; F431-V435 HydrophobicContact CE1-CG2 3.89Å; F431-V435 HydrophobicContact CE2-CG2 4.13Å; F431-V435 HydrophobicContact CZ-CG2 3.85Å; F431-V435 VanDerWaalsContact O-CG2 3.3Å; F431-V435 WeakPolarHBondContact O-CG2 3.46Å; F431-V435 PolarHBondContact O-N 2.92Å; Q433-V435 PolarHBondContact O-N 3.04Å; V435-M438 PolarHBondContact O-N 2.89Å; V435-V439 HydrophobicContact CG1-CG2 4.35Å; V435-V439 WeakPolarHBondContact O-CG2 3.43Å; V435-V439 PolarHBondContact O-N 2.83Å
436	I	98.9	Very high	97.8	Very high	35 Å²	35	49 Å²	49	18%	0.179	24%	0.242	C	C	.	.	H	α-helix	trans	-61.3	-48	176.1	-70.3	166.8	0	0	0	110.7	V405 F409 R432 Q433 L434 M438 L440	V405-I436 HydrophobicContact CG2-CG1 3.79Å; F409-I436 HydrophobicContact CE2-CG1 4.38Å; R432-I436 HydrophobicContact CG-CD1 3.75Å; R432-I436 HydrophobicContact CG-CG1 4.47Å; R432-I436 WeakPolarHBondContact O-CB 3.37Å; R432-I436 WeakPolarHBondContact O-CD1 3.42Å; R432-I436 VanDerWaalsContact O-CG1 3.22Å; R432-I436 WeakPolarHBondContact O-CG1 3.33Å; R432-I436 PolarHBondContact O-N 2.95Å; Q433-I436 PolarHBondContact O-N 3.41Å; L434-I436 PolarHBondContact O-N 3.48Å; I436-M438 VanDerWaalsContact C-N 3.33Å; I436-M438 PolarHBondContact O-N 2.55Å; I436-L440 HydrophobicContact CG2-CD1 3.7Å; I436-L440 HydrophobicContact CG2-CG 4.24Å; I436-L440 WeakPolarHBondContact O-CB 3.45Å; I436-L440 VanDerWaalsContact O-CG 3.26Å; I436-L440 WeakPolarHBondContact O-CG 3.4Å; I436-L440 PolarHBondContact O-N 3.08Å
437	D	98.7	Very high	97.6	Very high	49 Å²	49	43.1 Å²	43.1	26%	0.262	21%	0.211	S	C	.	.	H	α-helix	trans	-65.4	-37.1	-178.1	-68.5	-26.4	0	0	0	112	Q433 L434 C441 T467 S471	Q433-D437 PolarHBondContact NE2-OD1 3.05Å; Q433-D437 PolarHBondContact NE2-OD2 3.39Å; Q433-D437 WeakPolarHBondContact O-CB 3.46Å; Q433-D437 VanDerWaalsContact O-CG 3.29Å; Q433-D437 PolarHBondContact O-N 3.2Å; L434-D437 PolarHBondContact O-N 2.92Å; D437-C441 VanDerWaalsContact O-CB 3.31Å; D437-C441 WeakPolarHBondContact O-CB 3.19Å; D437-C441 PolarHBondContact O-N 3.12Å; D437-C441 PolarHBondContact O-SG 3.37Å; D437-T467 HydrophobicContact CB-CG2 3.71Å; D437-S471 PolarHBondContact O-OG 3.46Å
438	M	98.9	Very high	97.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.2	-50.4	176.2	-74.7	-174	-77.4	0	0	112.4	A363 V364 A367 L434 V435 I436 C441 T442 L470 V474	A363-M438 HydrophobicContact CB-CE 3.75Å; A363-M438 VanDerWaalsContact O-CE 3.29Å; A363-M438 WeakPolarHBondContact O-CE 3.46Å; V364-M438 HydrophobicContact CB-SD 4.35Å; V364-M438 HydrophobicContact CG2-CE 4.28Å; V364-M438 HydrophobicContact CG2-SD 3.78Å; A367-M438 HydrophobicContact CB-CB 3.82Å; A367-M438 HydrophobicContact CB-CE 3.82Å; A367-M438 HydrophobicContact CB-SD 4.18Å; L434-M438 HydrophobicContact CB-CE 4.06Å; L434-M438 WeakPolarHBondContact O-CB 3.23Å; L434-M438 WeakPolarHBondContact O-CE 3.24Å; L434-M438 WeakPolarHBondContact O-CG 3.33Å; L434-M438 PolarHBondContact O-N 3.33Å; V435-M438 PolarHBondContact O-N 2.89Å; I436-M438 VanDerWaalsContact C-N 3.33Å; I436-M438 PolarHBondContact O-N 2.55Å; M438-C441 PolarHBondContact O-N 2.88Å; M438-C441 VanDerWaalsContact O-N 3.12Å; M438-T442 PolarHBondContact O-N 3.4Å; M438-L470 HydrophobicContact CG-CB 4.29Å; M438-L470 HydrophobicContact SD-CB 3.73Å; M438-V474 HydrophobicContact CB-CG2 4.32Å; M438-V474 HydrophobicContact CG-CG2 4.32Å; M438-V474 HydrophobicContact SD-CG2 3.72Å
439	V	98.9	Very high	97.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-41.1	-179	175.8	0	0	0	0	111.1	A367 I370 H371 H404 V405 V435 C441 T442	A367-V439 HydrophobicContact CB-CG2 4.11Å; I370-V439 HydrophobicContact CD1-CG2 4.28Å; I370-V439 HydrophobicContact CG1-CG2 4.04Å; H371-V439 HydrophobicContact CB-CG1 4.42Å; H371-V439 HydrophobicContact CB-CG2 4.23Å; H404-V439 HydrophobicContact CB-CG1 4.33Å; V405-V439 HydrophobicContact CB-CB 4.24Å; V405-V439 HydrophobicContact CB-CG1 4.02Å; V435-V439 HydrophobicContact CG1-CG2 4.35Å; V435-V439 WeakPolarHBondContact O-CG2 3.43Å; V435-V439 PolarHBondContact O-N 2.83Å; V439-C441 PolarHBondContact O-N 3.43Å; V439-T442 PolarHBondContact O-N 3.38Å; V439-T442 VanDerWaalsContact O-N 3.11Å; V439-T442 PolarHBondContact O-OG1 3.44Å
440	L	98.6	Very high	97	Very high	47 Å²	47	43.1 Å²	43.1	25%	0.246	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-24.3	175.8	-68.1	-179.1	0	0	0	113	E401 N402 I436 T442 L446	E401-L440 HydrophobicContact CB-CD2 4.06Å; N402-L440 HydrophobicContact CB-CD2 4.45Å; I436-L440 HydrophobicContact CG2-CD1 3.7Å; I436-L440 HydrophobicContact CG2-CG 4.24Å; I436-L440 WeakPolarHBondContact O-CB 3.45Å; I436-L440 VanDerWaalsContact O-CG 3.26Å; I436-L440 WeakPolarHBondContact O-CG 3.4Å; I436-L440 PolarHBondContact O-N 3.08Å; L440-T442 VanDerWaalsContact C-N 3.32Å; L440-L446 WeakPolarHBondContact O-CD1 3.41Å
441	C	98.4	Very high	96.9	Very high	27 Å²	27	39.5 Å²	39.5	18%	0.182	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-5.6	175.4	-73.4	0	0	0	0	113.7	D437 M438 V439 D443 Q450 H475	D437-C441 VanDerWaalsContact O-CB 3.31Å; D437-C441 WeakPolarHBondContact O-CB 3.19Å; D437-C441 PolarHBondContact O-N 3.12Å; D437-C441 PolarHBondContact O-SG 3.37Å; M438-C441 PolarHBondContact O-N 2.88Å; M438-C441 VanDerWaalsContact O-N 3.12Å; V439-C441 PolarHBondContact O-N 3.43Å; C441-D443 PolarHBondContact O-N 2.97Å; C441-Q450 PolarHBondContact O-NE2 3.18Å; C441-H475 PolarHBondContact O-ND1 3.18Å; C441-H475 VanDerWaalsContact O-ND1 3.15Å
442	T	98.1	Very high	96.8	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.012	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-14.3	170.8	63.6	0	0	0	0	112.2	H371 M438 V439 L440 M444 V474	H371-T442 HydrophobicContact CB-CG2 4.3Å; M438-T442 PolarHBondContact O-N 3.4Å; V439-T442 PolarHBondContact O-N 3.38Å; V439-T442 VanDerWaalsContact O-N 3.11Å; V439-T442 PolarHBondContact O-OG1 3.44Å; L440-T442 VanDerWaalsContact C-N 3.32Å; T442-M444 PolarHBondContact O-N 3.36Å; T442-V474 HydrophobicContact CG2-CG1 3.92Å
443	D	96.2	Very high	96.8	Very high	14 Å²	14	45.8 Å²	45.8	8%	0.075	23%	0.23	C	C	.	.			trans	-59.1	112.6	173.2	-176.2	-13.2	0	0	0	110.7	E401 C441 S445 L446	E401-D443 HydrophobicContact CG-CB 3.89Å; C441-D443 PolarHBondContact O-N 2.97Å; D443-S445 PolarHBondContact O-N 2.8Å; D443-S445 WeakPolarHBondContact OD1-CB 3.45Å; D443-S445 PolarHBondContact OD1-N 3.22Å; D443-S445 PolarHBondContact OD1-OG 2.98Å; D443-S445 PolarHBondContact OD2-OG 3.17Å; D443-L446 HydrophobicContact CB-CD1 4.46Å; D443-L446 HydrophobicContact CB-CG 4.44Å; D443-L446 WeakPolarHBondContact O-CB 3.38Å; D443-L446 PolarHBondContact O-N 2.9Å
444	M	92.9	Very high	96.8	Very high	13 Å²	13	41.3 Å²	41.3	6%	0.064	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-60.4	-18.1	-179.9	-78	-61.4	-54.8	0	0	114.2	A5 T442 L446 H447 H475 I479 I536	A5-M444 HydrophobicContact CB-CB 3.94Å; A5-M444 HydrophobicContact CB-CE 4.15Å; A5-M444 HydrophobicContact CB-CG 4.09Å; T442-M444 PolarHBondContact O-N 3.36Å; M444-L446 PolarHBondContact O-N 3.46Å; M444-H447 HydrophobicContact CE-CB 3.81Å; M444-H447 WeakPolarHBondContact O-CB 3.34Å; M444-H447 PolarHBondContact O-N 3.46Å; M444-H447 HydrophobicContact SD-CB 4.28Å; M444-H475 PolarHBondContact SD-CE1 3.43Å; M444-I479 HydrophobicContact SD-CG2 4.13Å; M444-I536 HydrophobicContact CE-CG2 4.07Å
445	S	93.9	Very high	96.7	Very high	83 Å²	83	46.2 Å²	46.2	58%	0.58	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-64.1	-24.6	172.2	78.6	0	0	0	0	112.7	D443	D443-S445 PolarHBondContact O-N 2.8Å; D443-S445 WeakPolarHBondContact OD1-CB 3.45Å; D443-S445 PolarHBondContact OD1-N 3.22Å; D443-S445 PolarHBondContact OD1-OG 2.98Å; D443-S445 PolarHBondContact OD2-OG 3.17Å
446	L	93.3	Very high	96.7	Very high	58 Å²	58	49.4 Å²	49.4	30%	0.304	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-90.8	-13	178.5	-58.2	-178.8	0	0	0	113.1	L440 D443 M444 F448 Q449 Q450	L440-L446 WeakPolarHBondContact O-CD1 3.41Å; D443-L446 HydrophobicContact CB-CD1 4.46Å; D443-L446 HydrophobicContact CB-CG 4.44Å; D443-L446 WeakPolarHBondContact O-CB 3.38Å; D443-L446 PolarHBondContact O-N 2.9Å; M444-L446 PolarHBondContact O-N 3.46Å; L446-F448 PolarHBondContact O-N 3.38Å; L446-Q449 WeakPolarHBondContact O-CB 3.45Å; L446-Q449 PolarHBondContact O-N 3.38Å; L446-Q450 HydrophobicContact CB-CG 4.35Å; L446-Q450 WeakPolarHBondContact O-CG 3.46Å; L446-Q450 PolarHBondContact O-N 3.49Å
447	H	95	Very high	96.6	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.019	25%	0.25	C	C	.	.	H	α-helix	trans	-46.2	-58.4	-171.1	175.6	84.6	0	0	0	114	M444 Q449 Q450 I451 H475 I536 S540	M444-H447 HydrophobicContact CE-CB 3.81Å; M444-H447 WeakPolarHBondContact O-CB 3.34Å; M444-H447 PolarHBondContact O-N 3.46Å; M444-H447 HydrophobicContact SD-CB 4.28Å; H447-Q449 VanDerWaalsContact C-N 3.27Å; H447-Q449 PolarHBondContact O-N 3.15Å; H447-Q450 WeakPolarHBondContact O-CB 3.27Å; H447-Q450 PolarHBondContact O-N 3.18Å; H447-Q450 VanDerWaalsContact O-N 3.17Å; H447-I451 WeakPolarHBondContact O-CG1 3.43Å; H447-I451 PolarHBondContact O-N 2.73Å; H447-H475 AromaticContact CE1-NE2 3.84Å; H447-H475 AromaticContact ND1-CD2 3.83Å; H447-H475 AromaticContact ND1-CE1 3.76Å; H447-H475 AromaticContact ND1-NE2 3.03Å; H447-H475 PolarHBondContact ND1-NE2 2.91Å; H447-I536 VanDerWaalsContact CE1-CG2 3.49Å; H447-I536 WeakPolarHBondContact CE1-CG2 3.22Å; H447-S540 PolarHBondContact CE1-OG 2.91Å
448	F	92.6	Very high	96.4	Very high	139 Å²	139	49 Å²	49	61%	0.61	25%	0.247	S	C	*	.	H	α-helix	trans	-65.3	-32	-175.8	-65.3	-64.7	0	0	0	112.8	L446 K452 I536	L446-F448 PolarHBondContact O-N 3.38Å; F448-K452 VanDerWaalsContact O-CB 3.27Å; F448-K452 WeakPolarHBondContact O-CB 3.5Å; F448-K452 PolarHBondContact O-N 3.35Å; F448-I536 HydrophobicContact CE1-CD1 3.98Å; F448-I536 HydrophobicContact CZ-CD1 3.68Å
449	Q	95.2	Very high	96.2	Very high	121 Å²	121	53.2 Å²	53.2	57%	0.565	28%	0.277	S	S	*	.	H	α-helix	trans	-69.2	-43.3	175.8	-176.2	173.9	13.3	0	0	110.7	L446 H447 K452 N453	L446-Q449 WeakPolarHBondContact O-CB 3.45Å; L446-Q449 PolarHBondContact O-N 3.38Å; H447-Q449 VanDerWaalsContact C-N 3.27Å; H447-Q449 PolarHBondContact O-N 3.15Å; Q449-K452 PolarHBondContact O-N 2.95Å; Q449-N453 VanDerWaalsContact O-CB 3.3Å; Q449-N453 WeakPolarHBondContact O-CB 3.3Å; Q449-N453 PolarHBondContact O-N 3.15Å; Q449-N453 PolarHBondContact O-ND2 3.21Å; Q449-N453 PolarHBondContact O-OD1 2.91Å
450	Q	95.6	Very high	96	Very high	28 Å²	28	57.5 Å²	57.5	13%	0.131	30%	0.298	C	S	.	.	H	α-helix	trans	-59.5	-50.4	176	-68.1	-178.7	53	0	0	111.6	C441 L446 H447 K452 N453 M454	C441-Q450 PolarHBondContact O-NE2 3.18Å; L446-Q450 HydrophobicContact CB-CG 4.35Å; L446-Q450 WeakPolarHBondContact O-CG 3.46Å; L446-Q450 PolarHBondContact O-N 3.49Å; H447-Q450 WeakPolarHBondContact O-CB 3.27Å; H447-Q450 PolarHBondContact O-N 3.18Å; H447-Q450 VanDerWaalsContact O-N 3.17Å; Q450-K452 PolarHBondContact O-N 2.86Å; Q450-N453 PolarHBondContact O-N 3.26Å; Q450-M454 PolarHBondContact O-N 3.06Å
451	I	96.2	Very high	95.5	Very high	15 Å²	15	59.6 Å²	59.6	8%	0.077	31%	0.314	C	S	.	.	H	α-helix	trans	-59.7	-45	178.7	-64.1	-53.2	0	0	0	111.4	H447 M454 K455 L472 S540 V543	H447-I451 WeakPolarHBondContact O-CG1 3.43Å; H447-I451 PolarHBondContact O-N 2.73Å; I451-M454 PolarHBondContact O-N 3.47Å; I451-K455 HydrophobicContact CG2-CD 4.4Å; I451-K455 WeakPolarHBondContact O-CB 3.19Å; I451-K455 WeakPolarHBondContact O-CG 3.44Å; I451-K455 PolarHBondContact O-N 3.32Å; I451-L472 HydrophobicContact CD1-CD1 3.69Å; I451-S540 WeakPolarHBondContact CD1-OG 3.37Å; I451-V543 HydrophobicContact CG2-CG2 4.02Å
452	K	97	Very high	95.1	Very high	148 Å²	148	64.1 Å²	64.1	64%	0.643	33%	0.333	S	S	*	.	H	α-helix	trans	-62.8	-44.1	177.2	-178.6	-177.7	176.6	-176.5	0	112.2	F448 Q449 Q450 T456	F448-K452 VanDerWaalsContact O-CB 3.27Å; F448-K452 WeakPolarHBondContact O-CB 3.5Å; F448-K452 PolarHBondContact O-N 3.35Å; Q449-K452 PolarHBondContact O-N 2.95Å; Q450-K452 PolarHBondContact O-N 2.86Å; K452-T456 PolarHBondContact O-N 3.19Å; K452-T456 PolarHBondContact O-OG1 2.99Å
453	N	97.8	Very high	94.8	Very high	70 Å²	70	69 Å²	69	37%	0.374	37%	0.367	S	S	.	.	H	α-helix	trans	-63.8	-43.7	-180	-71.6	-11.9	0	0	0	111	Q449 Q450 T456 M457	Q449-N453 VanDerWaalsContact O-CB 3.3Å; Q449-N453 WeakPolarHBondContact O-CB 3.3Å; Q449-N453 PolarHBondContact O-N 3.15Å; Q449-N453 PolarHBondContact O-ND2 3.21Å; Q449-N453 PolarHBondContact O-OD1 2.91Å; Q450-N453 PolarHBondContact O-N 3.26Å; N453-T456 WeakPolarHBondContact O-CB 3.37Å; N453-T456 PolarHBondContact O-N 3.38Å; N453-M457 PolarHBondContact O-N 3.07Å
454	M	98.4	Very high	94.8	Very high	6 Å²	6	68.9 Å²	68.9	3%	0.03	37%	0.366	C	S	.	.	H	α-helix	trans	-67.4	-43.7	178.4	-171	58.9	68.2	0	0	112	Q450 I451 T456 M457 I458 I464 K468 A469 L472 V543 M547	Q450-M454 PolarHBondContact O-N 3.06Å; I451-M454 PolarHBondContact O-N 3.47Å; M454-T456 PolarHBondContact O-N 2.96Å; M454-M457 WeakPolarHBondContact O-CB 3.4Å; M454-M457 PolarHBondContact O-N 3.02Å; M454-M457 HydrophobicContact SD-CB 4.35Å; M454-M457 HydrophobicContact SD-SD 4.31Å; M454-I458 HydrophobicContact CG-CD1 3.93Å; M454-I458 HydrophobicContact CG-CG1 4.29Å; M454-I458 WeakPolarHBondContact O-CG1 3.49Å; M454-I458 PolarHBondContact O-N 3.41Å; M454-I458 HydrophobicContact SD-CG1 4.43Å; M454-I464 HydrophobicContact CE-CG2 4.26Å; M454-I464 HydrophobicContact SD-CD1 4.48Å; M454-I464 HydrophobicContact SD-CG2 3.95Å; M454-K468 HydrophobicContact CE-CB 3.9Å; M454-A469 HydrophobicContact CE-CB 4.13Å; M454-L472 HydrophobicContact CB-CD2 4.19Å; M454-L472 HydrophobicContact CE-CD2 4.44Å; M454-L472 HydrophobicContact CG-CD2 3.75Å; M454-V543 HydrophobicContact CB-CG1 3.83Å; M454-V543 HydrophobicContact CG-CG1 3.67Å; M454-M547 HydrophobicContact CE-CG 4.38Å; M454-M547 HydrophobicContact CE-SD 3.52Å; M454-M547 VanDerWaalsContact CE-SD 3.52Å; M454-M547 HydrophobicContact CG-CB 4.29Å; M454-M547 HydrophobicContact CG-CG 4.28Å; M454-M547 HydrophobicContact CG-SD 4.11Å; M454-M547 HydrophobicContact SD-CB 4.37Å; M454-M547 HydrophobicContact SD-CG 3.78Å; M454-M547 HydrophobicContact SD-SD 3.7Å; M454-M547 VanDerWaalsContact SD-SD 3.7Å
455	K	97.8	Very high	94.9	Very high	111 Å²	111	71 Å²	71	48%	0.483	38%	0.378	S	S	.	.	H	α-helix	trans	-54.1	-42	173	-77.3	-176.1	179.4	-173	0	112.3	I451 S459 V543	I451-K455 HydrophobicContact CG2-CD 4.4Å; I451-K455 WeakPolarHBondContact O-CB 3.19Å; I451-K455 WeakPolarHBondContact O-CG 3.44Å; I451-K455 PolarHBondContact O-N 3.32Å; K455-S459 PolarHBondContact O-N 2.95Å; K455-V543 HydrophobicContact CD-CG2 3.94Å; K455-V543 HydrophobicContact CG-CG1 4.29Å; K455-V543 HydrophobicContact CG-CG2 3.49Å; K455-V543 VanDerWaalsContact CG-CG2 3.49Å
456	T	97.5	Very high	95.1	Very high	68 Å²	68	70.1 Å²	70.1	42%	0.417	36%	0.363	S	S	.	.	H	α-helix	trans	-63.5	-45.8	176.6	-53.8	0	0	0	0	110.4	K452 N453 M454 I458 S459 M460	K452-T456 PolarHBondContact O-N 3.19Å; K452-T456 PolarHBondContact O-OG1 2.99Å; N453-T456 WeakPolarHBondContact O-CB 3.37Å; N453-T456 PolarHBondContact O-N 3.38Å; M454-T456 PolarHBondContact O-N 2.96Å; T456-I458 PolarHBondContact O-N 2.79Å; T456-S459 PolarHBondContact O-N 2.98Å; T456-S459 PolarHBondContact O-OG 2.99Å; T456-M460 HydrophobicContact CG2-CE 4.25Å; T456-M460 VanDerWaalsContact O-CG 3.27Å; T456-M460 WeakPolarHBondContact O-CG 3.41Å; T456-M460 PolarHBondContact O-N 3.39Å
457	M	96.8	Very high	95.3	Very high	35 Å²	35	69.4 Å²	69.4	17%	0.172	36%	0.362	C	S	.	.	H	α-helix	trans	-63.9	-40.4	-179.7	-167	172.2	-78.2	0	0	113.3	N453 M454 S459 M460 I464 D465 K468	N453-M457 PolarHBondContact O-N 3.07Å; M454-M457 WeakPolarHBondContact O-CB 3.4Å; M454-M457 PolarHBondContact O-N 3.02Å; M454-M457 HydrophobicContact SD-CB 4.35Å; M454-M457 HydrophobicContact SD-SD 4.31Å; M457-S459 PolarHBondContact O-N 3.38Å; M457-M460 PolarHBondContact O-N 3.02Å; M457-M460 VanDerWaalsContact O-N 3.11Å; M457-I464 HydrophobicContact CB-CD1 4.27Å; M457-I464 HydrophobicContact CG-CD1 3.7Å; M457-I464 HydrophobicContact SD-CB 4.39Å; M457-I464 HydrophobicContact SD-CD1 4.3Å; M457-I464 HydrophobicContact SD-CG2 3.95Å; M457-D465 HydrophobicContact CE-CB 3.48Å; M457-D465 VanDerWaalsContact CE-CB 3.48Å; M457-D465 HydrophobicContact SD-CB 3.57Å; M457-D465 VanDerWaalsContact SD-CB 3.57Å; M457-D465 PolarHBondContact SD-N 3.07Å; M457-K468 HydrophobicContact CE-CD 3.82Å
458	I	96.4	Very high	95.4	Very high	39 Å²	39	73.8 Å²	73.8	20%	0.2	38%	0.381	C	S	.	.	H	α-helix	trans	-60.3	-36.6	175.4	-66.5	163.2	0	0	0	111.2	M454 T456 M460 I464 V543 D546 M547	M454-I458 HydrophobicContact CG-CD1 3.93Å; M454-I458 HydrophobicContact CG-CG1 4.29Å; M454-I458 WeakPolarHBondContact O-CG1 3.49Å; M454-I458 PolarHBondContact O-N 3.41Å; M454-I458 HydrophobicContact SD-CG1 4.43Å; T456-I458 PolarHBondContact O-N 2.79Å; I458-M460 PolarHBondContact O-N 2.66Å; I458-I464 HydrophobicContact CG1-CD1 4.12Å; I458-V543 HydrophobicContact CD1-CG1 3.97Å; I458-D546 HydrophobicContact CD1-CB 4.02Å; I458-D546 HydrophobicContact CG2-CB 4.45Å; I458-M547 HydrophobicContact CD1-CB 3.96Å; I458-M547 HydrophobicContact CG1-CB 4.34Å
459	S	94.7	Very high	95.7	Very high	90 Å²	90	67.2 Å²	67.2	63%	0.629	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-10.1	179.2	72.6	0	0	0	0	114.5	K455 T456 M457	K455-S459 PolarHBondContact O-N 2.95Å; T456-S459 PolarHBondContact O-N 2.98Å; T456-S459 PolarHBondContact O-OG 2.99Å; M457-S459 PolarHBondContact O-N 3.38Å
460	M	93.3	Very high	95.9	Very high	90 Å²	90	61.4 Å²	61.4	44%	0.443	33%	0.325	S	S	.	.	S	Bend	trans	-96.6	149.7	-175.9	-70.2	-64.9	170.8	0	0	111.5	T456 M457 I458 E462	T456-M460 HydrophobicContact CG2-CE 4.25Å; T456-M460 VanDerWaalsContact O-CG 3.27Å; T456-M460 WeakPolarHBondContact O-CG 3.41Å; T456-M460 PolarHBondContact O-N 3.39Å; M457-M460 PolarHBondContact O-N 3.02Å; M457-M460 VanDerWaalsContact O-N 3.11Å; I458-M460 PolarHBondContact O-N 2.66Å; M460-E462 WeakPolarHBondContact CB-OE2 3.47Å; M460-E462 PolarHBondContact O-N 3.02Å
461	P	88.8	Confident	96	Very high	91 Å²	91	60.3 Å²	60.3	59%	0.591	32%	0.32	S	S	*	.	S	Bend	trans	-69.4	-22.3	-179.9	28.7	-35.6	0	0	0	113.1	R550	P461-R550 PolarHBondContact O-NH2 3Å
462	E	90.4	Very high	96.2	Very high	122 Å²	122	59.7 Å²	59.7	57%	0.57	32%	0.317	S	S	*	.	S	Bend	trans	-61.5	155.7	176.7	-65.3	87.6	164.2	0	0	112.4	M460 R550	M460-E462 WeakPolarHBondContact CB-OE2 3.47Å; M460-E462 PolarHBondContact O-N 3.02Å; E462-R550 PolarHBondContact O-NH2 2.94Å
463	S	91.1	Very high	96.3	Very high	103 Å²	103	52.7 Å²	52.7	72%	0.72	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-64.6	145.8	173.1	56.9	0	0	0	0	111.3	D465	S463-D465 PolarHBondContact O-N 3.25Å
464	I	95.3	Very high	96.3	Very high	12 Å²	12	49.3 Å²	49.3	6%	0.062	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-60.5	130.8	173.1	-56.7	-56.8	0	0	0	110.2	M454 M457 I458 K466 A469 M547 R550 I551	M454-I464 HydrophobicContact CE-CG2 4.26Å; M454-I464 HydrophobicContact SD-CD1 4.48Å; M454-I464 HydrophobicContact SD-CG2 3.95Å; M457-I464 HydrophobicContact CB-CD1 4.27Å; M457-I464 HydrophobicContact CG-CD1 3.7Å; M457-I464 HydrophobicContact SD-CB 4.39Å; M457-I464 HydrophobicContact SD-CD1 4.3Å; M457-I464 HydrophobicContact SD-CG2 3.95Å; I458-I464 HydrophobicContact CG1-CD1 4.12Å; I464-K466 PolarHBondContact O-N 3.32Å; I464-A469 HydrophobicContact CG2-CB 3.71Å; I464-M547 HydrophobicContact CG2-CG 4.15Å; I464-R550 HydrophobicContact CD1-CG 3.89Å; I464-R550 HydrophobicContact CG1-CB 4.43Å; I464-R550 HydrophobicContact CG1-CG 3.88Å; I464-I551 HydrophobicContact CB-CG1 4.22Å; I464-I551 HydrophobicContact CG1-CG1 4.12Å; I464-I551 HydrophobicContact CG2-CD1 4.46Å
465	D	96.7	Very high	96.3	Very high	58 Å²	58	49.1 Å²	49.1	31%	0.31	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-62.7	116.3	172.1	179.1	-45.9	0	0	0	109.5	M457 S463 T467 K468 A469	M457-D465 HydrophobicContact CE-CB 3.48Å; M457-D465 VanDerWaalsContact CE-CB 3.48Å; M457-D465 HydrophobicContact SD-CB 3.57Å; M457-D465 VanDerWaalsContact SD-CB 3.57Å; M457-D465 PolarHBondContact SD-N 3.07Å; S463-D465 PolarHBondContact O-N 3.25Å; D465-T467 PolarHBondContact O-N 2.98Å; D465-T467 PolarHBondContact OD1-N 3.2Å; D465-T467 VanDerWaalsContact OD1-N 3.12Å; D465-K468 HydrophobicContact CB-CB 4.25Å; D465-K468 HydrophobicContact CB-CD 4Å; D465-K468 HydrophobicContact CB-CG 4.38Å; D465-K468 PolarHBondContact O-N 3.09Å; D465-K468 PolarHBondContact OD1-N 3Å; D465-K468 VanDerWaalsContact OD1-N 3.11Å; D465-K468 IonicContact OD2-NZ 2.73Å; D465-K468 PolarHBondContact OD2-NZ 3.22Å; D465-A469 WeakPolarHBondContact O-CB 3.38Å; D465-A469 PolarHBondContact O-N 2.89Å
466	K	96.7	Very high	96.4	Very high	64 Å²	64	43.8 Å²	43.8	28%	0.278	24%	0.244	S	C	.	.	H	α-helix	trans	-59.4	-47.2	-173.8	-171.8	-174.3	-66.8	-173.8	0	111.9	W355 L356 D360 I464 K468 A469 L470	W355-K466 HydrophobicContact CH2-CB 4.35Å; W355-K466 HydrophobicContact CH2-CG 3.91Å; W355-K466 HydrophobicContact CZ2-CB 4.06Å; W355-K466 HydrophobicContact CZ2-CG 3.94Å; L356-K466 HydrophobicContact CD2-CD 4.48Å; D360-K466 VanDerWaalsContact OD1-CD 3.29Å; D360-K466 WeakPolarHBondContact OD1-CD 3.46Å; D360-K466 IonicContact OD1-NZ 2.89Å; D360-K466 IonicContact OD2-NZ 2.91Å; D360-K466 PolarHBondContact OD2-NZ 2.92Å; I464-K466 PolarHBondContact O-N 3.32Å; K466-K468 VanDerWaalsContact C-N 3.33Å; K466-K468 PolarHBondContact O-N 2.96Å; K466-A469 PolarHBondContact O-N 3.47Å; K466-A469 VanDerWaalsContact O-N 3.17Å; K466-L470 HydrophobicContact CD-CD1 4.42Å; K466-L470 HydrophobicContact CG-CD1 4.08Å; K466-L470 HydrophobicContact CG-CG 4.18Å; K466-L470 WeakPolarHBondContact O-CG 3.28Å; K466-L470 PolarHBondContact O-N 3.47Å
467	T	98	Very high	96.4	Very high	44 Å²	44	40.6 Å²	40.6	27%	0.27	22%	0.224	S	C	.	.	H	α-helix	trans	-58.5	-47	-178.4	-57	0	0	0	0	110.8	L434 D437 D465 A469 L470 S471	L434-T467 HydrophobicContact CD2-CG2 4.18Å; D437-T467 HydrophobicContact CB-CG2 3.71Å; D465-T467 PolarHBondContact O-N 2.98Å; D465-T467 PolarHBondContact OD1-N 3.2Å; D465-T467 VanDerWaalsContact OD1-N 3.12Å; T467-A469 VanDerWaalsContact C-N 3.33Å; T467-A469 PolarHBondContact O-N 3.03Å; T467-L470 PolarHBondContact O-N 3.06Å; T467-S471 PolarHBondContact O-N 3.05Å; T467-S471 PolarHBondContact O-OG 3.1Å; T467-S471 VanDerWaalsContact O-OG 3.12Å
468	K	98.3	Very high	96.5	Very high	96 Å²	96	39 Å²	39	42%	0.417	22%	0.216	S	C	.	.	H	α-helix	trans	-65.6	-35.5	178.8	-71.1	171.3	-175.2	147.9	0	113.2	M454 M457 D465 K466 L472	M454-K468 HydrophobicContact CE-CB 3.9Å; M457-K468 HydrophobicContact CE-CD 3.82Å; D465-K468 HydrophobicContact CB-CB 4.25Å; D465-K468 HydrophobicContact CB-CD 4Å; D465-K468 HydrophobicContact CB-CG 4.38Å; D465-K468 PolarHBondContact O-N 3.09Å; D465-K468 PolarHBondContact OD1-N 3Å; D465-K468 VanDerWaalsContact OD1-N 3.11Å; D465-K468 IonicContact OD2-NZ 2.73Å; D465-K468 PolarHBondContact OD2-NZ 3.22Å; K466-K468 VanDerWaalsContact C-N 3.33Å; K466-K468 PolarHBondContact O-N 2.96Å; K468-L472 PolarHBondContact O-N 3.34Å
469	A	98.4	Very high	96.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-70	-41.7	177	0	0	0	0	0	112	W355 M454 I464 D465 K466 T467 L472 I473 M547 I551	W355-A469 HydrophobicContact CH2-CB 3.54Å; W355-A469 HydrophobicContact CZ2-CB 4.34Å; W355-A469 HydrophobicContact CZ3-CB 4.35Å; M454-A469 HydrophobicContact CE-CB 4.13Å; I464-A469 HydrophobicContact CG2-CB 3.71Å; D465-A469 WeakPolarHBondContact O-CB 3.38Å; D465-A469 PolarHBondContact O-N 2.89Å; K466-A469 PolarHBondContact O-N 3.47Å; K466-A469 VanDerWaalsContact O-N 3.17Å; T467-A469 VanDerWaalsContact C-N 3.33Å; T467-A469 PolarHBondContact O-N 3.03Å; A469-L472 PolarHBondContact O-N 3.15Å; A469-I473 WeakPolarHBondContact O-CG1 3.49Å; A469-I473 PolarHBondContact O-N 3.06Å; A469-M547 VanDerWaalsContact CA-SD 3.51Å; A469-M547 HydrophobicContact CB-CE 3.99Å; A469-M547 HydrophobicContact CB-CG 4.38Å; A469-M547 HydrophobicContact CB-SD 3.39Å; A469-M547 WeakPolarHBondContact CB-SD 3.38Å; A469-I551 HydrophobicContact CB-CD1 4.46Å
470	L	98.7	Very high	96.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-42.3	173.6	-65.5	-175.5	0	0	0	111.7	W355 L356 D360 V364 L434 M438 K466 T467 L472 I473 V474	W355-L470 HydrophobicContact CZ3-CD2 4.35Å; L356-L470 HydrophobicContact CD1-CD2 4.25Å; L356-L470 HydrophobicContact CD2-CD2 3.71Å; D360-L470 HydrophobicContact CB-CD1 4.21Å; V364-L470 HydrophobicContact CG2-CB 4.11Å; V364-L470 HydrophobicContact CG2-CD1 4Å; V364-L470 HydrophobicContact CG2-CD2 3.54Å; V364-L470 HydrophobicContact CG2-CG 4.07Å; L434-L470 HydrophobicContact CD2-CD1 4.3Å; M438-L470 HydrophobicContact CG-CB 4.29Å; M438-L470 HydrophobicContact SD-CB 3.73Å; K466-L470 HydrophobicContact CD-CD1 4.42Å; K466-L470 HydrophobicContact CG-CD1 4.08Å; K466-L470 HydrophobicContact CG-CG 4.18Å; K466-L470 WeakPolarHBondContact O-CG 3.28Å; K466-L470 PolarHBondContact O-N 3.47Å; T467-L470 PolarHBondContact O-N 3.06Å; L470-L472 VanDerWaalsContact C-N 3.31Å; L470-L472 PolarHBondContact O-N 3.39Å; L470-I473 HydrophobicContact CD2-CD1 4.21Å; L470-I473 PolarHBondContact O-N 2.9Å; L470-V474 PolarHBondContact O-N 3.02Å; L470-V474 VanDerWaalsContact O-N 3.09Å
471	S	98.8	Very high	97	Very high	4 Å²	4	28.6 Å²	28.6	3%	0.028	16%	0.156	C	C	.	.	H	α-helix	trans	-57.5	-42.6	171.6	-64.5	0	0	0	0	112	D437 T467 I473 V474 H475	D437-S471 PolarHBondContact O-OG 3.46Å; T467-S471 PolarHBondContact O-N 3.05Å; T467-S471 PolarHBondContact O-OG 3.1Å; T467-S471 VanDerWaalsContact O-OG 3.12Å; S471-I473 PolarHBondContact O-N 2.95Å; S471-V474 PolarHBondContact O-N 3.03Å; S471-H475 VanDerWaalsContact O-CB 3.23Å; S471-H475 WeakPolarHBondContact O-CB 3.37Å; S471-H475 PolarHBondContact O-N 3.03Å
472	L	98.7	Very high	97.5	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-66.9	-35.5	177.4	-176.4	61.8	0	0	0	112.7	I451 M454 K468 A469 L470 C476 V543 M547	I451-L472 HydrophobicContact CD1-CD1 3.69Å; M454-L472 HydrophobicContact CB-CD2 4.19Å; M454-L472 HydrophobicContact CE-CD2 4.44Å; M454-L472 HydrophobicContact CG-CD2 3.75Å; K468-L472 PolarHBondContact O-N 3.34Å; A469-L472 PolarHBondContact O-N 3.15Å; L470-L472 VanDerWaalsContact C-N 3.31Å; L470-L472 PolarHBondContact O-N 3.39Å; L472-C476 WeakPolarHBondContact O-CB 3.5Å; L472-C476 PolarHBondContact O-N 3.26Å; L472-C476 PolarHBondContact O-SG 3.11Å; L472-V543 HydrophobicContact CD2-CG1 3.92Å; L472-M547 HydrophobicContact CB-SD 4.33Å; L472-M547 HydrophobicContact CD2-CE 4.35Å; L472-M547 HydrophobicContact CD2-SD 3.82Å
473	I	98.8	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.4	-51.6	175.5	-70.2	168.9	0	0	0	110	C342 I345 L351 A469 L470 S471 H475 C476 A477 L544 M547	C342-I473 HydrophobicContact CB-CG2 4.48Å; I345-I473 HydrophobicContact CB-CG2 4.28Å; I345-I473 HydrophobicContact CD1-CG2 4.12Å; I345-I473 HydrophobicContact CG2-CD1 4.36Å; I345-I473 HydrophobicContact CG2-CG1 4.12Å; I345-I473 HydrophobicContact CG2-CG2 4.08Å; L351-I473 HydrophobicContact CD1-CD1 4.23Å; A469-I473 WeakPolarHBondContact O-CG1 3.49Å; A469-I473 PolarHBondContact O-N 3.06Å; L470-I473 HydrophobicContact CD2-CD1 4.21Å; L470-I473 PolarHBondContact O-N 2.9Å; S471-I473 PolarHBondContact O-N 2.95Å; I473-H475 PolarHBondContact O-N 3.38Å; I473-C476 PolarHBondContact O-N 3.11Å; I473-A477 WeakPolarHBondContact O-CB 3.42Å; I473-A477 PolarHBondContact O-N 3.41Å; I473-L544 HydrophobicContact CG1-CD1 4.02Å; I473-M547 HydrophobicContact CD1-CE 4.44Å; I473-M547 HydrophobicContact CG1-CE 4.04Å
474	V	98.9	Very high	98.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.3	-44.5	178.4	178.8	0	0	0	0	110.7	V364 M438 T442 L470 S471 C476 A477 D478	V364-V474 HydrophobicContact CG1-CG2 4.12Å; M438-V474 HydrophobicContact CB-CG2 4.32Å; M438-V474 HydrophobicContact CG-CG2 4.32Å; M438-V474 HydrophobicContact SD-CG2 3.72Å; T442-V474 HydrophobicContact CG2-CG1 3.92Å; L470-V474 PolarHBondContact O-N 3.02Å; L470-V474 VanDerWaalsContact O-N 3.09Å; S471-V474 PolarHBondContact O-N 3.03Å; V474-C476 VanDerWaalsContact C-N 3.35Å; V474-C476 PolarHBondContact O-N 3.04Å; V474-A477 WeakPolarHBondContact O-CB 3.43Å; V474-A477 PolarHBondContact O-N 3.47Å; V474-D478 PolarHBondContact O-N 3.24Å
475	H	98.6	Very high	98.4	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-57.8	-44.7	176.9	-172.8	81.3	0	0	0	112.4	C441 M444 H447 S471 I473 I479	C441-H475 PolarHBondContact O-ND1 3.18Å; C441-H475 VanDerWaalsContact O-ND1 3.15Å; M444-H475 PolarHBondContact SD-CE1 3.43Å; H447-H475 AromaticContact CE1-NE2 3.84Å; H447-H475 AromaticContact ND1-CD2 3.83Å; H447-H475 AromaticContact ND1-CE1 3.76Å; H447-H475 AromaticContact ND1-NE2 3.03Å; H447-H475 PolarHBondContact ND1-NE2 2.91Å; S471-H475 VanDerWaalsContact O-CB 3.23Å; S471-H475 WeakPolarHBondContact O-CB 3.37Å; S471-H475 PolarHBondContact O-N 3.03Å; I473-H475 PolarHBondContact O-N 3.38Å; H475-I479 WeakPolarHBondContact O-CG1 3.31Å; H475-I479 PolarHBondContact O-N 2.83Å
476	C	98.8	Very high	98.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-69.9	-35.9	178.5	-68	0	0	0	0	112.2	L472 I473 V474 I479 S480 F541 L544	L472-C476 WeakPolarHBondContact O-CB 3.5Å; L472-C476 PolarHBondContact O-N 3.26Å; L472-C476 PolarHBondContact O-SG 3.11Å; I473-C476 PolarHBondContact O-N 3.11Å; V474-C476 VanDerWaalsContact C-N 3.35Å; V474-C476 PolarHBondContact O-N 3.04Å; C476-I479 CarbonylContact O-C 3.52Å; C476-I479 PolarHBondContact O-N 2.99Å; C476-S480 WeakPolarHBondContact O-CA 2.84Å; C476-S480 VanDerWaalsContact O-CB 3.31Å; C476-S480 WeakPolarHBondContact O-CB 3.34Å; C476-S480 PolarHBondContact O-N 3.46Å; C476-S480 VanDerWaalsContact O-N 3.17Å; C476-F541 HydrophobicContact CB-CE2 4.09Å; C476-F541 HydrophobicContact CB-CZ 4.13Å; C476-F541 WeakPolarHBondContact O-CE2 3.42Å; C476-F541 WeakPolarHBondContact O-CZ 3.49Å; C476-L544 HydrophobicContact CB-CD2 3.89Å
477	A	98.8	Very high	98.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.7	-42	175.8	0	0	0	0	0	112.1	V338 T341 C342 I473 V474 I479 S480	V338-A477 HydrophobicContact CG1-CB 3.89Å; T341-A477 HydrophobicContact CG2-CB 3.9Å; C342-A477 WeakPolarHBondContact SG-CB 3.43Å; I473-A477 WeakPolarHBondContact O-CB 3.42Å; I473-A477 PolarHBondContact O-N 3.41Å; V474-A477 WeakPolarHBondContact O-CB 3.43Å; V474-A477 PolarHBondContact O-N 3.47Å; A477-I479 PolarHBondContact O-N 3.44Å; A477-S480 WeakPolarHBondContact O-CB 3.09Å; A477-S480 PolarHBondContact O-N 2.94Å; A477-S480 PolarHBondContact O-OG 3.48Å
478	D	98.8	Very high	98.6	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-57.7	-45.6	174.8	178	6.7	0	0	0	111.6	S3 H334 V338 H371 V474 S480	S3-D478 WeakPolarHBondContact CB-OD1 3.49Å; S3-D478 PolarHBondContact OG-OD1 3.12Å; S3-D478 VanDerWaalsContact OG-OD1 3.13Å; S3-D478 PolarHBondContact OG-OD2 2.95Å; H334-D478 IonicContact CE1-OD1 2.9Å; H334-D478 PolarHBondContact CE1-OD1 2.92Å; H334-D478 IonicContact NE2-OD1 2.82Å; H334-D478 PolarHBondContact NE2-OD1 3.22Å; V338-D478 HydrophobicContact CG1-CB 4.47Å; V338-D478 HydrophobicContact CG2-CB 4.37Å; H371-D478 IonicContact NE2-OD1 3.47Å; V474-D478 PolarHBondContact O-N 3.24Å; D478-S480 VanDerWaalsContact C-N 3.31Å; D478-S480 PolarHBondContact O-N 3.32Å
479	I	98.1	Very high	98.6	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	18.1	179.8	71.2	174.2	0	0	0	114.3	G2 M444 H475 C476 A477 P482 F532 I536 V537	G2-I479 VanDerWaalsContact CA-CG2 3.47Å; M444-I479 HydrophobicContact SD-CG2 4.13Å; H475-I479 WeakPolarHBondContact O-CG1 3.31Å; H475-I479 PolarHBondContact O-N 2.83Å; C476-I479 CarbonylContact O-C 3.52Å; C476-I479 PolarHBondContact O-N 2.99Å; A477-I479 PolarHBondContact O-N 3.44Å; I479-P482 VanDerWaalsContact O-CD 3.25Å; I479-P482 WeakPolarHBondContact O-CD 3.33Å; I479-F532 HydrophobicContact CB-CZ 4.1Å; I479-I536 HydrophobicContact CD1-CG2 4.13Å; I479-V537 HydrophobicContact CD1-CG2 4.41Å
480	S	98.6	Very high	98.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.068	C	C	.	.			trans	-82	-13.3	-164.4	69.3	0	0	0	0	115.9	C476 A477 D478 P482 A483	C476-S480 WeakPolarHBondContact O-CA 2.84Å; C476-S480 VanDerWaalsContact O-CB 3.31Å; C476-S480 WeakPolarHBondContact O-CB 3.34Å; C476-S480 PolarHBondContact O-N 3.46Å; C476-S480 VanDerWaalsContact O-N 3.17Å; A477-S480 WeakPolarHBondContact O-CB 3.09Å; A477-S480 PolarHBondContact O-N 2.94Å; A477-S480 PolarHBondContact O-OG 3.48Å; D478-S480 VanDerWaalsContact C-N 3.31Å; D478-S480 PolarHBondContact O-N 3.32Å; S480-P482 VanDerWaalsContact C-N 3.27Å; S480-P482 VanDerWaalsContact O-N 3.08Å; S480-A483 WeakPolarHBondContact O-CA 3.49Å; S480-A483 WeakPolarHBondContact O-CB 3.28Å; S480-A483 PolarHBondContact O-N 2.85Å
481	H	98.5	Very high	98.6	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.009	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-55.4	-30.4	-173.8	74.5	94.8	0	0	0	115	A483 K484 H489 W492 S493 F532	H481-A483 VanDerWaalsContact C-N 3.26Å; H481-A483 PolarHBondContact O-N 3.31Å; H481-K484 PolarHBondContact O-N 3.36Å; H481-H489 AromaticContact CE1-CE1 3.72Å; H481-H489 AromaticContact CE1-ND1 3.68Å; H481-H489 AromaticContact ND1-CE1 3.6Å; H481-H489 AromaticContact ND1-ND1 3.08Å; H481-H489 PolarHBondContact ND1-ND1 3.44Å; H481-H489 VanDerWaalsContact O-CB 3.31Å; H481-H489 WeakPolarHBondContact O-CB 3.26Å; H481-H489 PolarHBondContact O-ND1 3.22Å; H481-W492 HydrophobicContact CB-CB 3.54Å; H481-W492 HydrophobicContact CB-CD2 4.5Å; H481-W492 HydrophobicContact CB-CG 3.58Å; H481-S493 PolarHBondContact CE1-OG 3.43Å; H481-F532 AromaticContact NE2-CE1 3.68Å
482	P	98.6	Very high	98.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-76.2	-12	173.4	-15.6	34.5	0	0	0	114.6	I479 S480 K484 H489 F532 I533 V537 F591 N594	I479-P482 VanDerWaalsContact O-CD 3.25Å; I479-P482 WeakPolarHBondContact O-CD 3.33Å; S480-P482 VanDerWaalsContact C-N 3.27Å; S480-P482 VanDerWaalsContact O-N 3.08Å; P482-K484 VanDerWaalsContact C-N 3.29Å; P482-H489 VanDerWaalsContact CA-ND1 3.29Å; P482-H489 WeakPolarHBondContact CA-ND1 3.34Å; P482-F532 HydrophobicContact CG-CD1 3.82Å; P482-F532 HydrophobicContact CG-CE1 3.59Å; P482-I533 HydrophobicContact CB-CD1 4.1Å; P482-I533 HydrophobicContact CB-CG1 3.63Å; P482-I533 HydrophobicContact CG-CG1 4.47Å; P482-V537 HydrophobicContact CB-CG1 4.43Å; P482-V537 HydrophobicContact CG-CG1 4.48Å; P482-V537 HydrophobicContact CG-CG2 3.99Å; P482-F591 VanDerWaalsContact O-CD1 3.29Å; P482-F591 WeakPolarHBondContact O-CD1 3.39Å; P482-N594 PolarHBondContact O-ND2 3.27Å
483	A	98.6	Very high	98.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-87	2.7	174.3	0	0	0	0	0	112.5	W271 S480 H481 F541 W587 H590 F591	W271-A483 HydrophobicContact CZ2-CB 4.27Å; W271-A483 PolarHBondContact NE1-O 3.13Å; S480-A483 WeakPolarHBondContact O-CA 3.49Å; S480-A483 WeakPolarHBondContact O-CB 3.28Å; S480-A483 PolarHBondContact O-N 2.85Å; H481-A483 VanDerWaalsContact C-N 3.26Å; H481-A483 PolarHBondContact O-N 3.31Å; A483-F541 HydrophobicContact CB-CD1 4.39Å; A483-F541 HydrophobicContact CB-CE1 3.91Å; A483-F541 HydrophobicContact CB-CE2 4.13Å; A483-F541 HydrophobicContact CB-CZ 3.77Å; A483-W587 HydrophobicContact CB-CB 3.63Å; A483-H590 PolarHBondContact O-CD2 3.09Å; A483-H590 VanDerWaalsContact O-CD2 3.25Å; A483-F591 VanDerWaalsContact CA-CE1 3.5Å; A483-F591 HydrophobicContact CB-CE1 3.61Å; A483-F591 HydrophobicContact CB-CZ 3.81Å
484	K	98.6	Very high	98.5	Very high	1 Å²	1	20.2 Å²	20.2	0%	0.004	11%	0.105	C	C	.	.	S	Bend	trans	-109	168.8	179.4	-62.3	-177.8	176	174.8	0	111.2	N272 D337 T341 H481 P482 L488 N594	N272-K484 WeakPolarHBondContact OD1-CA 3.41Å; D337-K484 IonicContact OD1-NZ 3.17Å; D337-K484 PolarHBondContact OD1-NZ 2.8Å; D337-K484 IonicContact OD2-NZ 2.75Å; D337-K484 PolarHBondContact OD2-NZ 3Å; T341-K484 PolarHBondContact OG1-NZ 3.38Å; H481-K484 PolarHBondContact O-N 3.36Å; P482-K484 VanDerWaalsContact C-N 3.29Å; K484-L488 HydrophobicContact CB-CB 4.29Å; K484-L488 HydrophobicContact CB-CD1 4.37Å; K484-L488 HydrophobicContact CD-CD1 4.31Å; K484-N594 PolarHBondContact O-ND2 3.26Å
485	E	98	Very high	98.5	Very high	79 Å²	79	22.1 Å²	22.1	37%	0.369	12%	0.115	S	C	.	.			trans	-55.9	155	177.3	71.1	179.9	156.9	0	0	113.2	N272 A487 L488 H489	N272-E485 HydrophobicContact CB-CB 4.47Å; N272-E485 HydrophobicContact CB-CG 4.03Å; N272-E485 PolarHBondContact OD1-N 3.37Å; E485-A487 VanDerWaalsContact C-N 3.31Å; E485-A487 PolarHBondContact O-N 3.46Å; E485-L488 HydrophobicContact CG-CB 4.43Å; E485-L488 HydrophobicContact CG-CD1 4.15Å; E485-L488 HydrophobicContact CG-CG 4.16Å; E485-L488 PolarHBondContact O-N 3.08Å; E485-H489 PolarHBondContact O-N 3Å
486	W	98.5	Very high	98.5	Very high	54 Å²	54	22 Å²	22	21%	0.205	12%	0.115	C	C	.	.	H	α-helix	trans	-53.8	-42.3	-171.1	173.2	-100.4	0	0	0	114.1	L488 H489 E490 N594 S597 W598 K601	W486-L488 PolarHBondContact O-N 2.8Å; W486-H489 AromaticContact CZ3-CD2 4Å; W486-H489 PolarHBondContact O-N 3.22Å; W486-E490 HydrophobicContact CD2-CB 4.36Å; W486-E490 HydrophobicContact CH2-CB 4.48Å; W486-E490 HydrophobicContact CZ2-CB 3.96Å; W486-E490 HydrophobicContact CZ2-CG 4Å; W486-E490 PolarHBondContact NE1-OE2 2.97Å; W486-E490 WeakPolarHBondContact O-CB 3.42Å; W486-E490 PolarHBondContact O-N 2.96Å; W486-N594 VanDerWaalsContact CA-OD1 3.31Å; W486-N594 WeakPolarHBondContact CA-OD1 3.42Å; W486-N594 HydrophobicContact CE3-CB 4.34Å; W486-S597 VanDerWaalsContact CD2-CB 3.45Å; W486-W598 AromaticContact CH2-CD2 3.62Å; W486-W598 HydrophobicContact CH2-CD2 3.62Å; W486-W598 AromaticContact CH2-CE2 3.59Å; W486-W598 AromaticContact CH2-CE3 3.95Å; W486-W598 HydrophobicContact CH2-CE3 3.95Å; W486-W598 HydrophobicContact CH2-CG 4.04Å; W486-W598 HydrophobicContact CH2-CH2 4.23Å; W486-W598 AromaticContact CH2-CZ2 3.9Å; W486-W598 HydrophobicContact CH2-CZ2 3.9Å; W486-W598 HydrophobicContact CH2-CZ3 4.26Å; W486-W598 AromaticContact CH2-NE1 3.98Å; W486-W598 AromaticContact CZ3-CD1 3.72Å; W486-W598 AromaticContact CZ3-CD2 3.91Å; W486-W598 HydrophobicContact CZ3-CD2 3.91Å; W486-W598 AromaticContact CZ3-CE2 3.66Å; W486-W598 AromaticContact CZ3-CG 3.94Å; W486-W598 HydrophobicContact CZ3-CG 3.94Å; W486-W598 HydrophobicContact CZ3-CZ2 4.22Å; W486-W598 AromaticContact CZ3-NE1 3.54Å; W486-K601 HydrophobicContact CH2-CD 4.22Å; W486-K601 HydrophobicContact CZ2-CD 4.16Å
487	A	98.2	Very high	98.5	Very high	60 Å²	60	22.4 Å²	22.4	50%	0.496	12%	0.117	S	C	.	.	H	α-helix	trans	-60.6	-46	-177.4	0	0	0	0	0	112	E485 Q491	E485-A487 VanDerWaalsContact C-N 3.31Å; E485-A487 PolarHBondContact O-N 3.46Å; A487-Q491 WeakPolarHBondContact O-CB 3.29Å; A487-Q491 PolarHBondContact O-N 3.06Å
488	L	98.5	Very high	98.4	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.026	13%	0.131	C	C	.	.	H	α-helix	trans	-66.9	-46.6	175	-67.8	175.3	0	0	0	110.9	N272 F276 K484 E485 W486 E490 Q491 W492	N272-L488 HydrophobicContact CB-CD1 4.27Å; F276-L488 HydrophobicContact CD2-CD2 3.96Å; F276-L488 HydrophobicContact CE2-CD2 4.37Å; K484-L488 HydrophobicContact CB-CB 4.29Å; K484-L488 HydrophobicContact CB-CD1 4.37Å; K484-L488 HydrophobicContact CD-CD1 4.31Å; E485-L488 HydrophobicContact CG-CB 4.43Å; E485-L488 HydrophobicContact CG-CD1 4.15Å; E485-L488 HydrophobicContact CG-CG 4.16Å; E485-L488 PolarHBondContact O-N 3.08Å; W486-L488 PolarHBondContact O-N 2.8Å; L488-E490 PolarHBondContact O-N 3.1Å; L488-Q491 PolarHBondContact O-N 3.22Å; L488-W492 WeakPolarHBondContact O-CB 3.38Å; L488-W492 PolarHBondContact O-N 3.08Å
489	H	98.7	Very high	98.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.1	-47.2	-178.6	177.5	43.3	0	0	0	112.2	H481 P482 E485 W486 W492 S493 N594 W598	H481-H489 AromaticContact CE1-CE1 3.72Å; H481-H489 AromaticContact CE1-ND1 3.68Å; H481-H489 AromaticContact ND1-CE1 3.6Å; H481-H489 AromaticContact ND1-ND1 3.08Å; H481-H489 PolarHBondContact ND1-ND1 3.44Å; H481-H489 VanDerWaalsContact O-CB 3.31Å; H481-H489 WeakPolarHBondContact O-CB 3.26Å; H481-H489 PolarHBondContact O-ND1 3.22Å; P482-H489 VanDerWaalsContact CA-ND1 3.29Å; P482-H489 WeakPolarHBondContact CA-ND1 3.34Å; E485-H489 PolarHBondContact O-N 3Å; W486-H489 AromaticContact CZ3-CD2 4Å; W486-H489 PolarHBondContact O-N 3.22Å; H489-W492 PolarHBondContact O-N 3.01Å; H489-S493 PolarHBondContact CE1-OG 3.15Å; H489-S493 VanDerWaalsContact CE1-OG 3.24Å; H489-S493 WeakPolarHBondContact O-CB 3.27Å; H489-S493 PolarHBondContact O-N 3.45Å; H489-S493 PolarHBondContact O-OG 3.49Å; H489-S493 VanDerWaalsContact O-OG 3.12Å; H489-N594 VanDerWaalsContact CD2-CG 3.45Å; H489-W598 AromaticContact CD2-NE1 3.42Å; H489-W598 PolarHBondContact CD2-NE1 3.22Å; H489-W598 AromaticContact CE1-NE1 3.88Å; H489-W598 AromaticContact NE2-CD1 3.69Å; H489-W598 AromaticContact NE2-CE2 3.85Å; H489-W598 AromaticContact NE2-NE1 2.83Å; H489-W598 PolarHBondContact NE2-NE1 3.12Å
490	E	98.4	Very high	98.4	Very high	55 Å²	55	26.3 Å²	26.3	26%	0.257	14%	0.135	S	C	.	.	H	α-helix	trans	-59.2	-49.8	178.4	179.1	176.2	-147.2	0	0	111	W486 L488 W492 S493 D494 K601	W486-E490 HydrophobicContact CD2-CB 4.36Å; W486-E490 HydrophobicContact CH2-CB 4.48Å; W486-E490 HydrophobicContact CZ2-CB 3.96Å; W486-E490 HydrophobicContact CZ2-CG 4Å; W486-E490 PolarHBondContact NE1-OE2 2.97Å; W486-E490 WeakPolarHBondContact O-CB 3.42Å; W486-E490 PolarHBondContact O-N 2.96Å; L488-E490 PolarHBondContact O-N 3.1Å; E490-W492 PolarHBondContact O-N 3.24Å; E490-S493 PolarHBondContact O-N 3.46Å; E490-D494 PolarHBondContact O-N 3.26Å; E490-K601 IonicContact OE1-NZ 3.66Å; E490-K601 PolarHBondContact OE1-NZ 2.84Å
491	Q	98.5	Very high	98.4	Very high	83 Å²	83	27.6 Å²	27.6	39%	0.388	14%	0.141	S	C	.	.	H	α-helix	trans	-61.4	-44.9	179.4	-175.6	171.6	-8.6	0	0	112.1	F276 A487 L488 D494 I495	F276-Q491 VanDerWaalsContact CD2-CD 3.43Å; F276-Q491 HydrophobicContact CD2-CG 4.17Å; F276-Q491 HydrophobicContact CE1-CG 4.2Å; F276-Q491 HydrophobicContact CE2-CB 4.1Å; F276-Q491 HydrophobicContact CE2-CG 3.75Å; F276-Q491 HydrophobicContact CZ-CB 4.44Å; F276-Q491 HydrophobicContact CZ-CG 3.77Å; A487-Q491 WeakPolarHBondContact O-CB 3.29Å; A487-Q491 PolarHBondContact O-N 3.06Å; L488-Q491 PolarHBondContact O-N 3.22Å; Q491-D494 PolarHBondContact O-N 2.89Å; Q491-I495 WeakPolarHBondContact O-CG1 3.25Å; Q491-I495 PolarHBondContact O-N 2.99Å
492	W	98.8	Very high	98.4	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-61.2	-43.2	174.7	-80.7	120.1	0	0	0	112.3	V275 F276 Y329 V333 H334 D337 H481 L488 H489 E490 I495 L496	V275-W492 HydrophobicContact CG1-CZ2 3.83Å; F276-W492 HydrophobicContact CE1-CH2 4.02Å; F276-W492 HydrophobicContact CE1-CZ2 4.08Å; F276-W492 HydrophobicContact CE1-CZ3 4.35Å; F276-W492 AromaticContact CE2-CD1 3.88Å; F276-W492 AromaticContact CE2-CD2 3.96Å; F276-W492 HydrophobicContact CE2-CD2 3.96Å; F276-W492 AromaticContact CE2-CE2 3.5Å; F276-W492 VanDerWaalsContact CE2-CE2 3.5Å; F276-W492 HydrophobicContact CE2-CG 4.15Å; F276-W492 AromaticContact CE2-CZ2 3.83Å; F276-W492 HydrophobicContact CE2-CZ2 3.83Å; F276-W492 AromaticContact CE2-NE1 3.5Å; F276-W492 AromaticContact CZ-CD2 3.54Å; F276-W492 HydrophobicContact CZ-CD2 3.54Å; F276-W492 AromaticContact CZ-CE2 3.36Å; F276-W492 AromaticContact CZ-CE3 3.86Å; F276-W492 HydrophobicContact CZ-CE3 3.86Å; F276-W492 HydrophobicContact CZ-CG 4.08Å; F276-W492 AromaticContact CZ-CH2 3.73Å; F276-W492 HydrophobicContact CZ-CH2 3.73Å; F276-W492 AromaticContact CZ-CZ2 3.47Å; F276-W492 HydrophobicContact CZ-CZ2 3.47Å; F276-W492 VanDerWaalsContact CZ-CZ2 3.47Å; F276-W492 AromaticContact CZ-CZ3 3.95Å; F276-W492 HydrophobicContact CZ-CZ3 3.95Å; F276-W492 AromaticContact CZ-NE1 3.87Å; Y329-W492 AromaticContact CD2-CE3 3.7Å; Y329-W492 HydrophobicContact CD2-CE3 3.7Å; Y329-W492 HydrophobicContact CD2-CZ3 4.15Å; Y329-W492 HydrophobicContact CE2-CD2 4.45Å; Y329-W492 AromaticContact CE2-CE3 3.61Å; Y329-W492 HydrophobicContact CE2-CE3 3.61Å; Y329-W492 HydrophobicContact CE2-CZ3 4.25Å; V333-W492 HydrophobicContact CB-CH2 4.15Å; V333-W492 HydrophobicContact CG1-CH2 3.9Å; V333-W492 HydrophobicContact CG1-CZ2 4.1Å; H334-W492 VanDerWaalsContact CA-CH2 3.46Å; H334-W492 HydrophobicContact CB-CH2 3.85Å; H334-W492 HydrophobicContact CB-CZ3 3.86Å; D337-W492 HydrophobicContact CB-CZ2 3.82Å; H481-W492 HydrophobicContact CB-CB 3.54Å; H481-W492 HydrophobicContact CB-CD2 4.5Å; H481-W492 HydrophobicContact CB-CG 3.58Å; L488-W492 WeakPolarHBondContact O-CB 3.38Å; L488-W492 PolarHBondContact O-N 3.08Å; H489-W492 PolarHBondContact O-N 3.01Å; E490-W492 PolarHBondContact O-N 3.24Å; W492-I495 HydrophobicContact CD2-CD1 4.46Å; W492-I495 HydrophobicContact CE3-CD1 3.61Å; W492-I495 HydrophobicContact CE3-CG1 4.17Å; W492-I495 HydrophobicContact CZ3-CD1 3.7Å; W492-I495 WeakPolarHBondContact O-CG1 3.42Å; W492-L496 VanDerWaalsContact O-CB 3.25Å; W492-L496 WeakPolarHBondContact O-CB 3.38Å; W492-L496 PolarHBondContact O-N 3.04Å
493	S	98.5	Very high	98.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.8	-40.4	177.9	-73.5	0	0	0	0	112.3	H481 H489 E490 C497 Q529	H481-S493 PolarHBondContact CE1-OG 3.43Å; H489-S493 PolarHBondContact CE1-OG 3.15Å; H489-S493 VanDerWaalsContact CE1-OG 3.24Å; H489-S493 WeakPolarHBondContact O-CB 3.27Å; H489-S493 PolarHBondContact O-N 3.45Å; H489-S493 PolarHBondContact O-OG 3.49Å; H489-S493 VanDerWaalsContact O-OG 3.12Å; E490-S493 PolarHBondContact O-N 3.46Å; S493-C497 WeakPolarHBondContact O-CB 3.39Å; S493-C497 PolarHBondContact O-N 3.35Å; S493-C497 PolarHBondContact O-SG 2.86Å; S493-C497 VanDerWaalsContact O-SG 3.35Å; S493-Q529 VanDerWaalsContact OG-CD 3.22Å; S493-Q529 PolarHBondContact OG-OE1 2.96Å; S493-Q529 VanDerWaalsContact OG-OE1 3.04Å
494	D	98.2	Very high	98.4	Very high	83 Å²	83	32.2 Å²	32.2	44%	0.444	16%	0.158	S	C	.	.	H	α-helix	trans	-65.4	-46.5	-179.7	-76.6	-12.3	0	0	0	111.5	E490 Q491 C497 E498	E490-D494 PolarHBondContact O-N 3.26Å; Q491-D494 PolarHBondContact O-N 2.89Å; D494-C497 PolarHBondContact O-N 2.92Å; D494-E498 PolarHBondContact O-N 3.22Å
495	I	98.4	Very high	98.4	Very high	39 Å²	39	33.9 Å²	33.9	20%	0.2	17%	0.167	C	C	.	.	H	α-helix	trans	-72.2	-32.6	179	68.5	-170.4	0	0	0	112.3	F276 P328 Y329 Q491 W492 E498 E499	F276-I495 HydrophobicContact CE1-CD1 3.84Å; F276-I495 HydrophobicContact CZ-CD1 3.82Å; P328-I495 HydrophobicContact CB-CB 4.1Å; P328-I495 WeakPolarHBondContact CB-O 3.25Å; P328-I495 WeakPolarHBondContact O-CD1 3.35Å; Y329-I495 HydrophobicContact CD2-CG1 4.17Å; Q491-I495 WeakPolarHBondContact O-CG1 3.25Å; Q491-I495 PolarHBondContact O-N 2.99Å; W492-I495 HydrophobicContact CD2-CD1 4.46Å; W492-I495 HydrophobicContact CE3-CD1 3.61Å; W492-I495 HydrophobicContact CE3-CG1 4.17Å; W492-I495 HydrophobicContact CZ3-CD1 3.7Å; W492-I495 WeakPolarHBondContact O-CG1 3.42Å; I495-E498 PolarHBondContact O-N 3.33Å; I495-E499 PolarHBondContact O-N 3.17Å
496	L	98.2	Very high	98.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-46.9	170.8	-177.5	60.6	0	0	0	111.5	Y329 W492 E499 F500	Y329-L496 HydrophobicContact CD1-CD1 3.89Å; Y329-L496 HydrophobicContact CD2-CB 3.53Å; Y329-L496 HydrophobicContact CD2-CD1 3.83Å; Y329-L496 HydrophobicContact CD2-CG 4.18Å; Y329-L496 HydrophobicContact CE1-CD1 4.21Å; Y329-L496 HydrophobicContact CE2-CB 4Å; Y329-L496 HydrophobicContact CE2-CD1 4.13Å; Y329-L496 HydrophobicContact CE2-CD2 4.38Å; Y329-L496 HydrophobicContact CE2-CG 4.39Å; Y329-L496 HydrophobicContact CG-CB 4.11Å; Y329-L496 HydrophobicContact CG-CD1 3.69Å; Y329-L496 HydrophobicContact CG-CG 4.49Å; W492-L496 VanDerWaalsContact O-CB 3.25Å; W492-L496 WeakPolarHBondContact O-CB 3.38Å; W492-L496 PolarHBondContact O-N 3.04Å; L496-E499 PolarHBondContact O-N 3.07Å; L496-F500 HydrophobicContact CD1-CD1 4.25Å; L496-F500 HydrophobicContact CD1-CE1 3.68Å; L496-F500 HydrophobicContact CD1-CE2 4.26Å; L496-F500 HydrophobicContact CD1-CZ 3.69Å; L496-F500 HydrophobicContact CD2-CE2 4.44Å; L496-F500 HydrophobicContact CD2-CZ 4.43Å; L496-F500 HydrophobicContact CG-CE1 4.41Å; L496-F500 HydrophobicContact CG-CE2 4.16Å; L496-F500 HydrophobicContact CG-CZ 4.09Å; L496-F500 PolarHBondContact O-N 3.23Å
497	C	98	Very high	98.4	Very high	8 Å²	8	32.3 Å²	32.3	5%	0.054	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-43.9	178	-77.5	0	0	0	0	111.7	S493 D494 E499 F500 F501	S493-C497 WeakPolarHBondContact O-CB 3.39Å; S493-C497 PolarHBondContact O-N 3.35Å; S493-C497 PolarHBondContact O-SG 2.86Å; S493-C497 VanDerWaalsContact O-SG 3.35Å; D494-C497 PolarHBondContact O-N 2.92Å; C497-E499 VanDerWaalsContact C-N 3.29Å; C497-E499 PolarHBondContact O-N 3.1Å; C497-F500 PolarHBondContact O-N 3.01Å; C497-F501 HydrophobicContact CB-CD2 4.49Å; C497-F501 HydrophobicContact CB-CE2 3.93Å; C497-F501 HydrophobicContact CB-CZ 4.09Å; C497-F501 WeakPolarHBondContact O-CB 3.32Å; C497-F501 WeakPolarHBondContact O-CD1 3.42Å; C497-F501 WeakPolarHBondContact O-CD2 3.4Å; C497-F501 WeakPolarHBondContact O-CG 3.39Å; C497-F501 PolarHBondContact O-N 3.23Å
498	E	98.5	Very high	98.4	Very high	63 Å²	63	34 Å²	34	29%	0.294	15%	0.152	S	C	.	.	H	α-helix	trans	-58.8	-40.4	175.3	171.7	54.1	-161	0	0	111.9	P328 D494 I495 F501 R502 R520	P328-E498 HydrophobicContact CB-CG 4.33Å; P328-E498 HydrophobicContact CG-CG 3.93Å; D494-E498 PolarHBondContact O-N 3.22Å; I495-E498 PolarHBondContact O-N 3.33Å; E498-F501 PolarHBondContact O-N 3.05Å; E498-R502 WeakPolarHBondContact O-CG 3.31Å; E498-R502 PolarHBondContact O-N 3.04Å; E498-R502 IonicContact OE1-CZ 2.99Å; E498-R502 IonicContact OE1-NE 3.08Å; E498-R502 PolarHBondContact OE1-NE 3.42Å; E498-R502 IonicContact OE1-NH2 3.46Å; E498-R502 PolarHBondContact OE1-NH2 3.41Å; E498-R520 IonicContact OE2-NH1 2.67Å; E498-R520 IonicContact OE2-NH2 3.17Å
499	E	98.5	Very high	98.4	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.014	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-45.7	176	-166.3	175.8	119.3	0	0	113	N327 P328 Y329 H330 G377 I495 L496 C497 F501 R502 Q503	N327-E499 WeakPolarHBondContact CB-OE2 3.23Å; P328-E499 HydrophobicContact CB-CB 4.23Å; P328-E499 HydrophobicContact CG-CB 4.08Å; Y329-E499 PolarHBondContact N-OE2 3.48Å; H330-E499 IonicContact CE1-OE1 3.97Å; H330-E499 PolarHBondContact CE1-OE1 2.91Å; H330-E499 IonicContact CG-OE1 3.22Å; H330-E499 PolarHBondContact N-OE2 3.05Å; H330-E499 VanDerWaalsContact N-OE2 3.08Å; H330-E499 IonicContact ND1-OE1 2.69Å; H330-E499 PolarHBondContact ND1-OE1 3.4Å; H330-E499 IonicContact ND1-OE2 3.8Å; G377-E499 VanDerWaalsContact CA-OE1 3.26Å; G377-E499 WeakPolarHBondContact CA-OE1 3.21Å; I495-E499 PolarHBondContact O-N 3.17Å; L496-E499 PolarHBondContact O-N 3.07Å; C497-E499 VanDerWaalsContact C-N 3.29Å; C497-E499 PolarHBondContact O-N 3.1Å; E499-F501 VanDerWaalsContact C-N 3.25Å; E499-F501 PolarHBondContact O-N 3.29Å; E499-R502 WeakPolarHBondContact O-CB 3.22Å; E499-R502 PolarHBondContact O-N 2.96Å; E499-R502 VanDerWaalsContact O-N 3.14Å; E499-Q503 PolarHBondContact O-N 2.84Å
500	F	98	Very high	98.3	Very high	17 Å²	17	45.7 Å²	45.7	8%	0.075	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-38.6	174.5	-74.3	-2.2	0	0	0	111.8	L496 C497 Q503 G504 L517 C518	L496-F500 HydrophobicContact CD1-CD1 4.25Å; L496-F500 HydrophobicContact CD1-CE1 3.68Å; L496-F500 HydrophobicContact CD1-CE2 4.26Å; L496-F500 HydrophobicContact CD1-CZ 3.69Å; L496-F500 HydrophobicContact CD2-CE2 4.44Å; L496-F500 HydrophobicContact CD2-CZ 4.43Å; L496-F500 HydrophobicContact CG-CE1 4.41Å; L496-F500 HydrophobicContact CG-CE2 4.16Å; L496-F500 HydrophobicContact CG-CZ 4.09Å; L496-F500 PolarHBondContact O-N 3.23Å; C497-F500 PolarHBondContact O-N 3.01Å; F500-Q503 WeakPolarHBondContact O-CB 3.46Å; F500-Q503 PolarHBondContact O-N 3.37Å; F500-G504 PolarHBondContact O-N 3.28Å; F500-L517 HydrophobicContact CD2-CB 4.47Å; F500-C518 WeakPolarHBondContact O-CA 3.27Å; F500-C518 VanDerWaalsContact O-CB 3.26Å; F500-C518 WeakPolarHBondContact O-CB 3.4Å
501	F	98.6	Very high	98.3	Very high	26 Å²	26	50.1 Å²	50.1	11%	0.114	23%	0.234	C	C	.	.	H	α-helix	trans	-67.7	-36.6	177	-61.4	-22.4	0	0	0	112.5	C497 E498 E499 Q503 G504 D505 C518 R520 V523 V525	C497-F501 HydrophobicContact CB-CD2 4.49Å; C497-F501 HydrophobicContact CB-CE2 3.93Å; C497-F501 HydrophobicContact CB-CZ 4.09Å; C497-F501 WeakPolarHBondContact O-CB 3.32Å; C497-F501 WeakPolarHBondContact O-CD1 3.42Å; C497-F501 WeakPolarHBondContact O-CD2 3.4Å; C497-F501 WeakPolarHBondContact O-CG 3.39Å; C497-F501 PolarHBondContact O-N 3.23Å; E498-F501 PolarHBondContact O-N 3.05Å; E499-F501 VanDerWaalsContact C-N 3.25Å; E499-F501 PolarHBondContact O-N 3.29Å; F501-Q503 VanDerWaalsContact C-N 3.32Å; F501-Q503 PolarHBondContact O-N 3.18Å; F501-G504 PolarHBondContact O-N 3.22Å; F501-D505 PolarHBondContact O-N 3.17Å; F501-C518 WeakPolarHBondContact CA-O 3.3Å; F501-R520 HydrophobicContact CB-CB 3.97Å; F501-R520 HydrophobicContact CD1-CB 3.8Å; F501-R520 HydrophobicContact CD2-CB 3.72Å; F501-R520 HydrophobicContact CE1-CB 4.19Å; F501-R520 HydrophobicContact CE2-CB 4.11Å; F501-R520 HydrophobicContact CG-CB 3.55Å; F501-R520 HydrophobicContact CZ-CB 4.34Å; F501-V523 HydrophobicContact CE1-CB 4.02Å; F501-V523 HydrophobicContact CE1-CG1 4.33Å; F501-V523 HydrophobicContact CE1-CG2 4.14Å; F501-V523 HydrophobicContact CZ-CB 4.24Å; F501-V523 HydrophobicContact CZ-CG1 4.34Å; F501-V525 HydrophobicContact CZ-CG2 4.31Å
502	R	98.6	Very high	98.2	Very high	99 Å²	99	48.5 Å²	48.5	37%	0.374	23%	0.228	S	C	.	.	H	α-helix	trans	-60.8	-39.9	170.4	-71	174.5	-177.1	-163.5	3.7	111.9	S326 E498 E499 R506	S326-R502 PolarHBondContact O-NH1 2.95Å; E498-R502 WeakPolarHBondContact O-CG 3.31Å; E498-R502 PolarHBondContact O-N 3.04Å; E498-R502 IonicContact OE1-CZ 2.99Å; E498-R502 IonicContact OE1-NE 3.08Å; E498-R502 PolarHBondContact OE1-NE 3.42Å; E498-R502 IonicContact OE1-NH2 3.46Å; E498-R502 PolarHBondContact OE1-NH2 3.41Å; E499-R502 WeakPolarHBondContact O-CB 3.22Å; E499-R502 PolarHBondContact O-N 2.96Å; E499-R502 VanDerWaalsContact O-N 3.14Å; R502-R506 WeakPolarHBondContact O-CG 3.27Å; R502-R506 PolarHBondContact O-N 3.33Å
503	Q	98.3	Very high	98	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-48.1	172.9	-176.6	-174.8	-60.2	0	0	111.2	T378 T379 F382 E499 F500 F501 D505 R506 E507 S515	T378-Q503 VanDerWaalsContact CA-OE1 3.23Å; T378-Q503 HydrophobicContact CG2-CB 4.3Å; T378-Q503 HydrophobicContact CG2-CG 4.06Å; T379-Q503 PolarHBondContact OG1-NE2 3.3Å; T379-Q503 PolarHBondContact OG1-OE1 3.5Å; F382-Q503 HydrophobicContact CB-CG 4.44Å; F382-Q503 HydrophobicContact CD2-CG 3.86Å; F382-Q503 HydrophobicContact CE2-CG 4.48Å; F382-Q503 HydrophobicContact CG-CG 4.3Å; E499-Q503 PolarHBondContact O-N 2.84Å; F500-Q503 WeakPolarHBondContact O-CB 3.46Å; F500-Q503 PolarHBondContact O-N 3.37Å; F501-Q503 VanDerWaalsContact C-N 3.32Å; F501-Q503 PolarHBondContact O-N 3.18Å; Q503-D505 VanDerWaalsContact C-N 3.26Å; Q503-D505 PolarHBondContact O-N 3.46Å; Q503-R506 WeakPolarHBondContact O-CB 3.19Å; Q503-R506 PolarHBondContact O-N 3.34Å; Q503-R506 VanDerWaalsContact O-N 3.1Å; Q503-E507 HydrophobicContact CG-CG 4.31Å; Q503-E507 PolarHBondContact NE2-OE1 3.21Å; Q503-E507 WeakPolarHBondContact O-CG 3.45Å; Q503-E507 PolarHBondContact O-N 3.27Å; Q503-S515 PolarHBondContact NE2-OG 2.86Å
504	G	98.5	Very high	97.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-32	-178.5	0	0	0	0	0	113.6	F500 F501 R508 C518	F500-G504 PolarHBondContact O-N 3.28Å; F501-G504 PolarHBondContact O-N 3.22Å; G504-R508 WeakPolarHBondContact O-CB 3.12Å; G504-R508 PolarHBondContact O-N 3.1Å; G504-C518 WeakPolarHBondContact CA-O 3.16Å
505	D	98.5	Very high	97.7	Very high	36 Å²	36	53.8 Å²	53.8	19%	0.193	26%	0.263	C	S	.	.	H	α-helix	trans	-66.5	-44.7	172.2	-64.5	-27.8	0	0	0	111.7	F501 Q503 E507 R508 E509 R520	F501-D505 PolarHBondContact O-N 3.17Å; Q503-D505 VanDerWaalsContact C-N 3.26Å; Q503-D505 PolarHBondContact O-N 3.46Å; D505-E507 PolarHBondContact O-N 3.25Å; D505-R508 WeakPolarHBondContact O-CB 3.36Å; D505-R508 PolarHBondContact O-N 3.33Å; D505-R508 IonicContact OD1-CZ 2.72Å; D505-R508 IonicContact OD1-NH1 2.72Å; D505-R508 PolarHBondContact OD1-NH1 3.06Å; D505-R508 IonicContact OD1-NH2 3.84Å; D505-E509 WeakPolarHBondContact O-CG 3.46Å; D505-E509 PolarHBondContact O-N 2.71Å; D505-R520 IonicContact OD1-NE 3.53Å; D505-R520 PolarHBondContact OD1-NE 3.36Å; D505-R520 IonicContact OD2-CZ 3.04Å; D505-R520 IonicContact OD2-NE 2.63Å; D505-R520 PolarHBondContact OD2-NE 2.61Å; D505-R520 IonicContact OD2-NH2 2.68Å; D505-R520 PolarHBondContact OD2-NH2 3.46Å
506	R	98.3	Very high	97.3	Very high	95 Å²	95	56.4 Å²	56.4	36%	0.358	28%	0.283	S	S	.	.	H	α-helix	trans	-62.2	-41.2	173.8	-68.1	175.1	-174.9	169.9	3.3	112.2	T376 F382 R502 Q503 R508 E509 L510	T376-R506 PolarHBondContact O-NH1 3.08Å; F382-R506 HydrophobicContact CE2-CB 4.08Å; F382-R506 HydrophobicContact CZ-CB 4.17Å; R502-R506 WeakPolarHBondContact O-CG 3.27Å; R502-R506 PolarHBondContact O-N 3.33Å; Q503-R506 WeakPolarHBondContact O-CB 3.19Å; Q503-R506 PolarHBondContact O-N 3.34Å; Q503-R506 VanDerWaalsContact O-N 3.1Å; R506-R508 VanDerWaalsContact C-N 3.31Å; R506-R508 PolarHBondContact O-N 2.91Å; R506-E509 PolarHBondContact O-N 2.86Å; R506-L510 WeakPolarHBondContact O-CB 3.42Å; R506-L510 VanDerWaalsContact O-CG 3.29Å; R506-L510 WeakPolarHBondContact O-CG 3.17Å; R506-L510 PolarHBondContact O-N 3.44Å
507	E	98.5	Very high	97	Very high	5 Å²	5	59.8 Å²	59.8	2%	0.023	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-43.5	175.9	-72.9	169.9	157.9	0	0	111	F382 Q503 D505 L510 N511 L512 I514 S515	F382-E507 HydrophobicContact CD2-CG 3.65Å; F382-E507 HydrophobicContact CE2-CG 3.82Å; Q503-E507 HydrophobicContact CG-CG 4.31Å; Q503-E507 PolarHBondContact NE2-OE1 3.21Å; Q503-E507 WeakPolarHBondContact O-CG 3.45Å; Q503-E507 PolarHBondContact O-N 3.27Å; D505-E507 PolarHBondContact O-N 3.25Å; E507-L510 CarbonylContact O-C 3.6Å; E507-L510 PolarHBondContact O-N 3.35Å; E507-N511 PolarHBondContact O-N 3Å; E507-L512 HydrophobicContact CB-CB 4.23Å; E507-L512 PolarHBondContact O-N 2.98Å; E507-I514 WeakPolarHBondContact OE2-CA 3.46Å; E507-S515 VanDerWaalsContact OE1-CB 3.3Å; E507-S515 WeakPolarHBondContact OE1-CB 3.47Å; E507-S515 PolarHBondContact OE1-OG 3.28Å; E507-S515 PolarHBondContact OE2-N 2.84Å
508	R	97.8	Very high	96.8	Very high	96 Å²	96	59.6 Å²	59.6	36%	0.362	30%	0.299	S	S	.	.	H	α-helix	trans	-61.9	-45.2	175.4	-168.5	-176.7	-59.9	104.2	-1.6	111.9	G504 D505 R506 L510 N511 I514 D519	G504-R508 WeakPolarHBondContact O-CB 3.12Å; G504-R508 PolarHBondContact O-N 3.1Å; D505-R508 WeakPolarHBondContact O-CB 3.36Å; D505-R508 PolarHBondContact O-N 3.33Å; D505-R508 IonicContact OD1-CZ 2.72Å; D505-R508 IonicContact OD1-NH1 2.72Å; D505-R508 PolarHBondContact OD1-NH1 3.06Å; D505-R508 IonicContact OD1-NH2 3.84Å; R506-R508 VanDerWaalsContact C-N 3.31Å; R506-R508 PolarHBondContact O-N 2.91Å; R508-L510 VanDerWaalsContact C-N 3.28Å; R508-L510 PolarHBondContact O-N 2.8Å; R508-N511 PolarHBondContact O-N 3.02Å; R508-N511 VanDerWaalsContact O-N 3.11Å; R508-I514 HydrophobicContact CB-CD1 4.27Å; R508-I514 HydrophobicContact CB-CG1 4.49Å; R508-D519 IonicContact NH2-OD1 2.72Å; R508-D519 PolarHBondContact NH2-OD1 2.88Å; R508-D519 VanDerWaalsContact NH2-OD1 3.08Å
509	E	98	Very high	96.7	Very high	153 Å²	153	58 Å²	58	72%	0.715	29%	0.293	S	S	*	.	H	α-helix	trans	-60.4	-37.3	176.8	-73	172.7	-177.1	0	0	112.5	D505 R506 N511	D505-E509 WeakPolarHBondContact O-CG 3.46Å; D505-E509 PolarHBondContact O-N 2.71Å; R506-E509 PolarHBondContact O-N 2.86Å; E509-N511 VanDerWaalsContact C-N 3.25Å; E509-N511 PolarHBondContact O-N 3.34Å
510	L	97.7	Very high	96.6	Very high	96 Å²	96	62.5 Å²	62.5	50%	0.503	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	3.3	178.2	-65.6	173.1	0	0	0	113.6	F382 T386 R506 E507 R508 L512	F382-L510 HydrophobicContact CE2-CD1 4.16Å; F382-L510 HydrophobicContact CZ-CD1 3.88Å; T386-L510 HydrophobicContact CG2-CD1 3.8Å; R506-L510 WeakPolarHBondContact O-CB 3.42Å; R506-L510 VanDerWaalsContact O-CG 3.29Å; R506-L510 WeakPolarHBondContact O-CG 3.17Å; R506-L510 PolarHBondContact O-N 3.44Å; E507-L510 CarbonylContact O-C 3.6Å; E507-L510 PolarHBondContact O-N 3.35Å; R508-L510 VanDerWaalsContact C-N 3.28Å; R508-L510 PolarHBondContact O-N 2.8Å; L510-L512 HydrophobicContact CB-CD1 4.02Å; L510-L512 HydrophobicContact CB-CG 3.94Å; L510-L512 HydrophobicContact CD1-CD1 4.23Å; L510-L512 PolarHBondContact O-N 3.35Å
511	N	97.5	Very high	96.5	Very high	149 Å²	149	67.6 Å²	67.6	80%	0.797	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	33.6	-173.3	-57	-79.8	0	0	0	113.2	E507 R508 E509	E507-N511 PolarHBondContact O-N 3Å; R508-N511 PolarHBondContact O-N 3.02Å; R508-N511 VanDerWaalsContact O-N 3.11Å; E509-N511 VanDerWaalsContact C-N 3.25Å; E509-N511 PolarHBondContact O-N 3.34Å
512	L	96.9	Very high	96.3	Very high	48 Å²	48	71.1 Å²	71.1	25%	0.251	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-90.1	152.7	172.1	-62.9	175.6	0	0	0	110.1	A385 T386 E507 L510 I514	A385-L512 HydrophobicContact CB-CD1 4.26Å; T386-L512 HydrophobicContact CG2-CD1 3.81Å; E507-L512 HydrophobicContact CB-CB 4.23Å; E507-L512 PolarHBondContact O-N 2.98Å; L510-L512 HydrophobicContact CB-CD1 4.02Å; L510-L512 HydrophobicContact CB-CG 3.94Å; L510-L512 HydrophobicContact CD1-CD1 4.23Å; L510-L512 PolarHBondContact O-N 3.35Å; L512-I514 PolarHBondContact O-N 3.37Å
513	P	95.4	Very high	96	Very high	115 Å²	115	67.7 Å²	67.7	75%	0.747	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-57.1	129.6	166.5	-21	33	0	0	0	110	S515	P513-S515 PolarHBondContact O-N 3.36Å
514	I	95.6	Very high	95.8	Very high	56 Å²	56	70.4 Å²	70.4	29%	0.287	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-69	128.2	178	-55.6	173.6	0	0	0	108.8	E507 R508 L512 C518 D519	E507-I514 WeakPolarHBondContact OE2-CA 3.46Å; R508-I514 HydrophobicContact CB-CD1 4.27Å; R508-I514 HydrophobicContact CB-CG1 4.49Å; L512-I514 PolarHBondContact O-N 3.37Å; I514-C518 HydrophobicContact CG2-CB 4Å; I514-D519 HydrophobicContact CD1-CB 4.34Å; I514-D519 HydrophobicContact CG2-CB 3.84Å
515	S	93.6	Very high	95.7	Very high	24 Å²	24	71.8 Å²	71.8	17%	0.168	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-61.1	147.7	179.5	-75.3	0	0	0	0	111	Q503 E507 P513 L517 C518	Q503-S515 PolarHBondContact NE2-OG 2.86Å; E507-S515 VanDerWaalsContact OE1-CB 3.3Å; E507-S515 WeakPolarHBondContact OE1-CB 3.47Å; E507-S515 PolarHBondContact OE1-OG 3.28Å; E507-S515 PolarHBondContact OE2-N 2.84Å; P513-S515 PolarHBondContact O-N 3.36Å; S515-L517 PolarHBondContact O-N 3.39Å; S515-C518 WeakPolarHBondContact O-CB 3.45Å; S515-C518 PolarHBondContact O-N 3.29Å
516	P	90.9	Very high	95.6	Very high	94 Å²	94	70.8 Å²	70.8	61%	0.61	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	138.7	173.3	-26.2	34.5	0	0	0	111.1	C518	P516-C518 PolarHBondContact O-N 3Å; P516-C518 VanDerWaalsContact O-N 3.16Å
517	L	90.7	Very high	95.5	Very high	71 Å²	71	72.3 Å²	72.3	37%	0.372	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	0.6	-179.3	-49.7	173.6	0	0	0	116.2	M1 F500 S515 V523	M1-L517 HydrophobicContact CG-CD1 3.67Å; M1-L517 HydrophobicContact SD-CD1 3.93Å; F500-L517 HydrophobicContact CD2-CB 4.47Å; S515-L517 PolarHBondContact O-N 3.39Å; L517-V523 HydrophobicContact CB-CG2 4.48Å; L517-V523 WeakPolarHBondContact O-CG2 3.4Å
518	C	94.8	Very high	95.2	Very high	4 Å²	4	73 Å²	73	3%	0.027	39%	0.389	C	S	.	.			trans	-96.5	-7.8	-179.7	-61.5	0	0	0	0	113.5	F500 F501 G504 I514 S515 P516 R520	F500-C518 WeakPolarHBondContact O-CA 3.27Å; F500-C518 VanDerWaalsContact O-CB 3.26Å; F500-C518 WeakPolarHBondContact O-CB 3.4Å; F501-C518 WeakPolarHBondContact CA-O 3.3Å; G504-C518 WeakPolarHBondContact CA-O 3.16Å; I514-C518 HydrophobicContact CG2-CB 4Å; S515-C518 WeakPolarHBondContact O-CB 3.45Å; S515-C518 PolarHBondContact O-N 3.29Å; P516-C518 PolarHBondContact O-N 3Å; P516-C518 VanDerWaalsContact O-N 3.16Å; C518-R520 PolarHBondContact O-N 3.24Å
519	D	96.5	Very high	95.2	Very high	29 Å²	29	68.5 Å²	68.5	16%	0.155	37%	0.372	C	S	.	.			trans	-91	103.4	177.5	-175.3	10.3	0	0	0	112.1	R508 I514 N521 T522 V523	R508-D519 IonicContact NH2-OD1 2.72Å; R508-D519 PolarHBondContact NH2-OD1 2.88Å; R508-D519 VanDerWaalsContact NH2-OD1 3.08Å; I514-D519 HydrophobicContact CD1-CB 4.34Å; I514-D519 HydrophobicContact CG2-CB 3.84Å; D519-N521 PolarHBondContact O-N 3.15Å; D519-N521 PolarHBondContact OD1-N 3.4Å; D519-N521 VanDerWaalsContact OD1-N 3.15Å; D519-N521 PolarHBondContact OD1-ND2 3.38Å; D519-T522 WeakPolarHBondContact CB-OG1 3.01Å; D519-T522 PolarHBondContact O-N 2.68Å; D519-T522 PolarHBondContact O-OG1 3.45Å; D519-T522 VanDerWaalsContact OD2-CG2 3.29Å; D519-T522 WeakPolarHBondContact OD2-CG2 3.46Å; D519-T522 PolarHBondContact OD2-OG1 3.02Å; D519-V523 VanDerWaalsContact O-CG2 3.31Å; D519-V523 WeakPolarHBondContact O-CG2 3.26Å; D519-V523 PolarHBondContact O-N 2.82Å
520	R	96.5	Very high	95.2	Very high	98 Å²	98	62.6 Å²	62.6	37%	0.37	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-18.2	177.4	63.2	175.2	72.1	-127.9	-0.4	115	E498 F501 D505 C518	E498-R520 IonicContact OE2-NH1 2.67Å; E498-R520 IonicContact OE2-NH2 3.17Å; F501-R520 HydrophobicContact CB-CB 3.97Å; F501-R520 HydrophobicContact CD1-CB 3.8Å; F501-R520 HydrophobicContact CD2-CB 3.72Å; F501-R520 HydrophobicContact CE1-CB 4.19Å; F501-R520 HydrophobicContact CE2-CB 4.11Å; F501-R520 HydrophobicContact CG-CB 3.55Å; F501-R520 HydrophobicContact CZ-CB 4.34Å; D505-R520 IonicContact OD1-NE 3.53Å; D505-R520 PolarHBondContact OD1-NE 3.36Å; D505-R520 IonicContact OD2-CZ 3.04Å; D505-R520 IonicContact OD2-NE 2.63Å; D505-R520 PolarHBondContact OD2-NE 2.61Å; D505-R520 IonicContact OD2-NH2 2.68Å; D505-R520 PolarHBondContact OD2-NH2 3.46Å; C518-R520 PolarHBondContact O-N 3.24Å
521	N	95.4	Very high	94.9	Very high	125 Å²	125	59 Å²	59	67%	0.668	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-14.5	-178.5	-53.3	-69	0	0	0	114.1	D519	D519-N521 PolarHBondContact O-N 3.15Å; D519-N521 PolarHBondContact OD1-N 3.4Å; D519-N521 VanDerWaalsContact OD1-N 3.15Å; D519-N521 PolarHBondContact OD1-ND2 3.38Å
522	T	94.2	Very high	94.9	Very high	99 Å²	99	52.1 Å²	52.1	61%	0.607	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	-19	-173.9	59.3	0	0	0	0	113.5	D519 V524	D519-T522 WeakPolarHBondContact CB-OG1 3.01Å; D519-T522 PolarHBondContact O-N 2.68Å; D519-T522 PolarHBondContact O-OG1 3.45Å; D519-T522 VanDerWaalsContact OD2-CG2 3.29Å; D519-T522 WeakPolarHBondContact OD2-CG2 3.46Å; D519-T522 PolarHBondContact OD2-OG1 3.02Å; T522-V524 PolarHBondContact O-N 2.79Å
523	V	92.2	Very high	94.9	Very high	28 Å²	28	49.8 Å²	49.8	17%	0.17	28%	0.282	C	S	.	.			trans	-75.3	124	-176.3	174.8	0	0	0	0	112	F501 L517 D519 V525	F501-V523 HydrophobicContact CE1-CB 4.02Å; F501-V523 HydrophobicContact CE1-CG1 4.33Å; F501-V523 HydrophobicContact CE1-CG2 4.14Å; F501-V523 HydrophobicContact CZ-CB 4.24Å; F501-V523 HydrophobicContact CZ-CG1 4.34Å; L517-V523 HydrophobicContact CB-CG2 4.48Å; L517-V523 WeakPolarHBondContact O-CG2 3.4Å; D519-V523 VanDerWaalsContact O-CG2 3.31Å; D519-V523 WeakPolarHBondContact O-CG2 3.26Å; D519-V523 PolarHBondContact O-N 2.82Å; V523-V525 HydrophobicContact CG1-CG2 4.09Å; V523-V525 PolarHBondContact O-N 3.25Å
524	V	95.2	Very high	94.9	Very high	57 Å²	57	47.3 Å²	47.3	35%	0.345	26%	0.262	S	S	.	.			trans	-92.5	90	168.7	-176	0	0	0	0	108.3	T522 Q527 S528 P603	T522-V524 PolarHBondContact O-N 2.79Å; V524-Q527 HydrophobicContact CB-CB 4.12Å; V524-Q527 HydrophobicContact CG1-CB 3.81Å; V524-Q527 PolarHBondContact O-N 3.42Å; V524-Q527 VanDerWaalsContact O-N 3.08Å; V524-S528 PolarHBondContact O-N 2.85Å; V524-P603 HydrophobicContact CG1-CG 4.19Å
525	V	95.1	Very high	94.8	Very high	29 Å²	29	51.8 Å²	51.8	18%	0.176	28%	0.28	C	S	.	.	H	α-helix	trans	-50.8	-47.7	-174.7	177.5	0	0	0	0	113	F501 V523 Q527 S528 Q529 W598	F501-V525 HydrophobicContact CZ-CG2 4.31Å; V523-V525 HydrophobicContact CG1-CG2 4.09Å; V523-V525 PolarHBondContact O-N 3.25Å; V525-Q527 VanDerWaalsContact C-N 3.3Å; V525-Q527 PolarHBondContact O-N 3.39Å; V525-S528 PolarHBondContact O-N 3.47Å; V525-S528 PolarHBondContact O-OG 2.74Å; V525-Q529 HydrophobicContact CG1-CG 4.05Å; V525-Q529 VanDerWaalsContact O-CG 3.28Å; V525-Q529 WeakPolarHBondContact O-CG 3.25Å; V525-Q529 PolarHBondContact O-N 2.82Å; V525-W598 HydrophobicContact CG1-CH2 3.95Å; V525-W598 HydrophobicContact CG1-CZ3 4.02Å
526	P	97.2	Very high	94.9	Very high	15 Å²	15	51.7 Å²	51.7	10%	0.097	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-38.9	-180	-23.3	33.5	0	0	0	113.6	I530 W598 K601 L602	P526-I530 WeakPolarHBondContact O-CD1 3.31Å; P526-I530 VanDerWaalsContact O-CG1 3.28Å; P526-I530 WeakPolarHBondContact O-CG1 3.46Å; P526-I530 PolarHBondContact O-N 3.47Å; P526-I530 VanDerWaalsContact O-N 3.11Å; P526-W598 HydrophobicContact CB-CB 4.27Å; P526-W598 HydrophobicContact CB-CD2 4.42Å; P526-W598 HydrophobicContact CB-CE3 3.7Å; P526-W598 HydrophobicContact CB-CZ3 4.49Å; P526-W598 WeakPolarHBondContact CB-O 3.45Å; P526-W598 HydrophobicContact CG-CE3 3.87Å; P526-W598 HydrophobicContact CG-CZ3 4.22Å; P526-K601 HydrophobicContact CB-CB 4.22Å; P526-K601 HydrophobicContact CG-CB 3.78Å; P526-K601 WeakPolarHBondContact CG-O 3.44Å; P526-L602 HydrophobicContact CB-CD2 3.92Å; P526-L602 HydrophobicContact CB-CG 4.17Å
527	Q	96	Very high	95.2	Very high	128 Å²	128	47.2 Å²	47.2	60%	0.598	25%	0.248	S	C	*	.	H	α-helix	trans	-70.9	-38.7	179.1	-173.2	174.4	11	0	0	111.6	V524 V525 G531 L602	V524-Q527 HydrophobicContact CB-CB 4.12Å; V524-Q527 HydrophobicContact CG1-CB 3.81Å; V524-Q527 PolarHBondContact O-N 3.42Å; V524-Q527 VanDerWaalsContact O-N 3.08Å; V525-Q527 VanDerWaalsContact C-N 3.3Å; V525-Q527 PolarHBondContact O-N 3.39Å; Q527-G531 PolarHBondContact O-N 3.44Å; Q527-G531 VanDerWaalsContact O-N 3.1Å; Q527-L602 HydrophobicContact CB-CD2 3.95Å
528	S	92.9	Very high	95.5	Very high	20 Å²	20	47.5 Å²	47.5	14%	0.14	25%	0.248	C	C	.	.	H	α-helix	trans	-64	-44	176.2	67	0	0	0	0	110.8	M1 V524 V525 G531 F532	M1-S528 WeakPolarHBondContact CE-O 3.47Å; M1-S528 WeakPolarHBondContact CE-OG 3.2Å; V524-S528 PolarHBondContact O-N 2.85Å; V525-S528 PolarHBondContact O-N 3.47Å; V525-S528 PolarHBondContact O-OG 2.74Å; S528-G531 PolarHBondContact O-N 2.71Å; S528-F532 PolarHBondContact O-N 3.35Å
529	Q	97.2	Very high	95.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-66.2	-41.6	-178.1	-62.9	-64.4	-26.3	0	0	112.1	M1 S493 V525 G531 F532 I533 W598	M1-Q529 HydrophobicContact CE-CB 4.17Å; M1-Q529 HydrophobicContact CE-CG 3.83Å; M1-Q529 VanDerWaalsContact CE-N 3.31Å; S493-Q529 VanDerWaalsContact OG-CD 3.22Å; S493-Q529 PolarHBondContact OG-OE1 2.96Å; S493-Q529 VanDerWaalsContact OG-OE1 3.04Å; V525-Q529 HydrophobicContact CG1-CG 4.05Å; V525-Q529 VanDerWaalsContact O-CG 3.28Å; V525-Q529 WeakPolarHBondContact O-CG 3.25Å; V525-Q529 PolarHBondContact O-N 2.82Å; Q529-G531 VanDerWaalsContact C-N 3.35Å; Q529-G531 PolarHBondContact O-N 3.26Å; Q529-F532 WeakPolarHBondContact O-CB 3.19Å; Q529-F532 PolarHBondContact O-N 2.69Å; Q529-I533 WeakPolarHBondContact O-CG1 3.07Å; Q529-I533 PolarHBondContact O-N 2.94Å; Q529-W598 HydrophobicContact CB-CD2 3.95Å; Q529-W598 HydrophobicContact CB-CG 4.05Å; Q529-W598 HydrophobicContact CB-CZ2 4.14Å; Q529-W598 HydrophobicContact CG-CD2 4.29Å; Q529-W598 HydrophobicContact CG-CH2 4.26Å; Q529-W598 HydrophobicContact CG-CZ2 3.7Å
530	I	97.1	Very high	95.7	Very high	29 Å²	29	48 Å²	48	15%	0.149	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-48.5	171.5	-67.6	164.9	0	0	0	110.6	P526 F532 I533 D534 W598 L602	P526-I530 WeakPolarHBondContact O-CD1 3.31Å; P526-I530 VanDerWaalsContact O-CG1 3.28Å; P526-I530 WeakPolarHBondContact O-CG1 3.46Å; P526-I530 PolarHBondContact O-N 3.47Å; P526-I530 VanDerWaalsContact O-N 3.11Å; I530-F532 VanDerWaalsContact C-N 3.27Å; I530-F532 PolarHBondContact O-N 3.27Å; I530-I533 PolarHBondContact O-N 3.47Å; I530-D534 PolarHBondContact O-N 3.01Å; I530-W598 HydrophobicContact CD1-CB 3.9Å; I530-W598 HydrophobicContact CG1-CB 3.7Å; I530-W598 HydrophobicContact CG1-CG 4.49Å; I530-L602 HydrophobicContact CD1-CD1 4.21Å
531	G	92.8	Very high	95.8	Very high	21 Å²	21	43.3 Å²	43.3	22%	0.216	24%	0.235	C	C	.	.	H	α-helix	trans	-62.3	-33.9	177.6	0	0	0	0	0	113	Q527 S528 Q529 F535	Q527-G531 PolarHBondContact O-N 3.44Å; Q527-G531 VanDerWaalsContact O-N 3.1Å; S528-G531 PolarHBondContact O-N 2.71Å; Q529-G531 VanDerWaalsContact C-N 3.35Å; Q529-G531 PolarHBondContact O-N 3.26Å; G531-F535 WeakPolarHBondContact O-CB 3.42Å; G531-F535 WeakPolarHBondContact O-CD2 3.38Å; G531-F535 PolarHBondContact O-N 2.95Å
532	F	95.9	Very high	96	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-66.1	-42.9	175.5	176.7	-137.9	0	0	0	112.4	M1 I479 H481 P482 S528 Q529 I530 I536 V537	M1-F532 HydrophobicContact CB-CB 4Å; M1-F532 HydrophobicContact CB-CD1 3.72Å; M1-F532 HydrophobicContact CB-CD2 3.81Å; M1-F532 HydrophobicContact CB-CE1 4.06Å; M1-F532 HydrophobicContact CB-CE2 4.14Å; M1-F532 HydrophobicContact CB-CG 3.58Å; M1-F532 HydrophobicContact CB-CZ 4.26Å; M1-F532 HydrophobicContact CE-CB 3.57Å; M1-F532 HydrophobicContact CE-CD1 4.32Å; M1-F532 HydrophobicContact CE-CG 4.22Å; M1-F532 HydrophobicContact CG-CB 4.21Å; M1-F532 HydrophobicContact CG-CG 4.32Å; M1-F532 WeakPolarHBondContact O-CE1 3.27Å; M1-F532 WeakPolarHBondContact O-CE2 3.35Å; M1-F532 WeakPolarHBondContact O-CZ 3.31Å; I479-F532 HydrophobicContact CB-CZ 4.1Å; H481-F532 AromaticContact NE2-CE1 3.68Å; P482-F532 HydrophobicContact CG-CD1 3.82Å; P482-F532 HydrophobicContact CG-CE1 3.59Å; S528-F532 PolarHBondContact O-N 3.35Å; Q529-F532 WeakPolarHBondContact O-CB 3.19Å; Q529-F532 PolarHBondContact O-N 2.69Å; I530-F532 VanDerWaalsContact C-N 3.27Å; I530-F532 PolarHBondContact O-N 3.27Å; F532-I536 HydrophobicContact CD2-CB 3.53Å; F532-I536 HydrophobicContact CD2-CG1 3.81Å; F532-I536 HydrophobicContact CD2-CG2 3.99Å; F532-I536 HydrophobicContact CE2-CB 3.61Å; F532-I536 HydrophobicContact CE2-CG1 4.17Å; F532-I536 HydrophobicContact CE2-CG2 3.5Å; F532-I536 WeakPolarHBondContact O-CB 2.91Å; F532-I536 PolarHBondContact O-N 2.91Å; F532-V537 HydrophobicContact CD1-CG2 3.88Å; F532-V537 HydrophobicContact CD2-CG2 3.79Å; F532-V537 HydrophobicContact CE1-CG2 3.47Å; F532-V537 VanDerWaalsContact CE1-CG2 3.47Å; F532-V537 HydrophobicContact CE2-CG2 3.38Å; F532-V537 HydrophobicContact CG-CG2 4.04Å; F532-V537 HydrophobicContact CZ-CG2 3.19Å; F532-V537 PolarHBondContact O-N 2.93Å
533	I	97.4	Very high	96.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-60	-55.5	173.7	-65.6	167.8	0	0	0	109.7	P482 Q529 I530 F535 V537 E538 F591 N594 K595	P482-I533 HydrophobicContact CB-CD1 4.1Å; P482-I533 HydrophobicContact CB-CG1 3.63Å; P482-I533 HydrophobicContact CG-CG1 4.47Å; Q529-I533 WeakPolarHBondContact O-CG1 3.07Å; Q529-I533 PolarHBondContact O-N 2.94Å; I530-I533 PolarHBondContact O-N 3.47Å; I533-F535 PolarHBondContact O-N 2.8Å; I533-V537 PolarHBondContact O-N 3.45Å; I533-E538 HydrophobicContact CG2-CB 4.28Å; I533-E538 VanDerWaalsContact O-CB 3.25Å; I533-E538 WeakPolarHBondContact O-CB 3.49Å; I533-E538 PolarHBondContact O-N 3.19Å; I533-F591 HydrophobicContact CG2-CB 3.99Å; I533-F591 HydrophobicContact CG2-CD1 3.93Å; I533-F591 HydrophobicContact CG2-CG 4.11Å; I533-N594 HydrophobicContact CD1-CB 3.99Å; I533-K595 HydrophobicContact CB-CD 4.34Å; I533-K595 HydrophobicContact CB-CG 4.27Å; I533-K595 HydrophobicContact CD1-CG 3.86Å; I533-K595 HydrophobicContact CG2-CD 3.83Å; I533-K595 HydrophobicContact CG2-CG 4.01Å
534	D	95.8	Very high	96.5	Very high	62 Å²	62	35.7 Å²	35.7	33%	0.332	19%	0.187	S	C	.	.	I	π-helix	trans	-65.3	-36.5	-171.7	-73.5	-25.3	0	0	0	113.6	I530 P539 K595	I530-D534 PolarHBondContact O-N 3.01Å; D534-P539 WeakPolarHBondContact O-CD 3.5Å; D534-P539 WeakPolarHBondContact O-CG 3.37Å; D534-K595 WeakPolarHBondContact OD1-CD 3.38Å; D534-K595 IonicContact OD1-NZ 3.97Å; D534-K595 PolarHBondContact OD1-NZ 3.25Å
535	F	92.6	Very high	96.6	Very high	151 Å²	151	33 Å²	33	66%	0.662	17%	0.17	S	C	*	.	I	π-helix	trans	-105	-17.5	-170.6	-60.1	-59.3	0	0	0	115	G531 I533	G531-F535 WeakPolarHBondContact O-CB 3.42Å; G531-F535 WeakPolarHBondContact O-CD2 3.38Å; G531-F535 PolarHBondContact O-N 2.95Å; I533-F535 PolarHBondContact O-N 2.8Å
536	I	95.8	Very high	96.7	Very high	21 Å²	21	34 Å²	34	11%	0.108	17%	0.174	C	C	.	.	I	π-helix	trans	-124.3	-64	-176.1	-52.8	-66.8	0	0	0	110.4	M444 H447 F448 I479 F532 S540	M444-I536 HydrophobicContact CE-CG2 4.07Å; H447-I536 VanDerWaalsContact CE1-CG2 3.49Å; H447-I536 WeakPolarHBondContact CE1-CG2 3.22Å; F448-I536 HydrophobicContact CE1-CD1 3.98Å; F448-I536 HydrophobicContact CZ-CD1 3.68Å; I479-I536 HydrophobicContact CD1-CG2 4.13Å; F532-I536 HydrophobicContact CD2-CB 3.53Å; F532-I536 HydrophobicContact CD2-CG1 3.81Å; F532-I536 HydrophobicContact CD2-CG2 3.99Å; F532-I536 HydrophobicContact CE2-CB 3.61Å; F532-I536 HydrophobicContact CE2-CG1 4.17Å; F532-I536 HydrophobicContact CE2-CG2 3.5Å; F532-I536 WeakPolarHBondContact O-CB 2.91Å; F532-I536 PolarHBondContact O-N 2.91Å; I536-S540 WeakPolarHBondContact O-CB 3.31Å; I536-S540 PolarHBondContact O-N 3.4Å; I536-S540 VanDerWaalsContact O-N 3.1Å; I536-S540 PolarHBondContact O-OG 3.35Å; I536-S540 VanDerWaalsContact O-OG 3.05Å
537	V	97.4	Very high	96.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	I	π-helix	trans	-72.2	-52.3	-166.9	-171.5	0	0	0	0	112	I479 P482 F532 I533 S540 F541 F591	I479-V537 HydrophobicContact CD1-CG2 4.41Å; P482-V537 HydrophobicContact CB-CG1 4.43Å; P482-V537 HydrophobicContact CG-CG1 4.48Å; P482-V537 HydrophobicContact CG-CG2 3.99Å; F532-V537 HydrophobicContact CD1-CG2 3.88Å; F532-V537 HydrophobicContact CD2-CG2 3.79Å; F532-V537 HydrophobicContact CE1-CG2 3.47Å; F532-V537 VanDerWaalsContact CE1-CG2 3.47Å; F532-V537 HydrophobicContact CE2-CG2 3.38Å; F532-V537 HydrophobicContact CG-CG2 4.04Å; F532-V537 HydrophobicContact CZ-CG2 3.19Å; F532-V537 PolarHBondContact O-N 2.93Å; I533-V537 PolarHBondContact O-N 3.45Å; V537-S540 WeakPolarHBondContact O-CB 3.31Å; V537-S540 PolarHBondContact O-N 3.42Å; V537-S540 VanDerWaalsContact O-N 3.09Å; V537-F541 HydrophobicContact CG1-CD2 3.55Å; V537-F541 HydrophobicContact CG1-CE2 3.66Å; V537-F541 WeakPolarHBondContact O-CD2 3.37Å; V537-F541 PolarHBondContact O-N 3.24Å; V537-F591 HydrophobicContact CB-CE1 4.28Å; V537-F591 HydrophobicContact CG1-CE1 3.51Å; V537-F591 HydrophobicContact CG1-CZ 3.72Å
538	E	98	Very high	96.7	Very high	77 Å²	77	27.2 Å²	27.2	36%	0.36	14%	0.141	S	C	.	.	H	α-helix	trans	-60.9	-45.3	-178.8	-177.4	175.4	174.4	0	0	112	I533 S540 F541 Q542 F591 K595	I533-E538 HydrophobicContact CG2-CB 4.28Å; I533-E538 VanDerWaalsContact O-CB 3.25Å; I533-E538 WeakPolarHBondContact O-CB 3.49Å; I533-E538 PolarHBondContact O-N 3.19Å; E538-S540 VanDerWaalsContact C-N 3.32Å; E538-S540 PolarHBondContact O-N 3.16Å; E538-F541 PolarHBondContact O-N 3.05Å; E538-Q542 WeakPolarHBondContact O-CB 3.48Å; E538-Q542 PolarHBondContact O-N 3.37Å; E538-F591 HydrophobicContact CB-CD2 3.95Å; E538-F591 HydrophobicContact CB-CE2 4.03Å; E538-F591 HydrophobicContact CB-CG 4.4Å; E538-F591 HydrophobicContact CG-CD2 3.85Å; E538-F591 HydrophobicContact CG-CE2 4.15Å; E538-K595 IonicContact OE2-NZ 3.92Å; E538-K595 PolarHBondContact OE2-NZ 3.48Å
539	P	97.3	Very high	96.8	Very high	44 Å²	44	30.2 Å²	30.2	29%	0.286	15%	0.153	S	C	.	.	H	α-helix	trans	-59.7	-35.5	171.8	-26.5	35.9	0	0	0	114.7	D534 V543	D534-P539 WeakPolarHBondContact O-CD 3.5Å; D534-P539 WeakPolarHBondContact O-CG 3.37Å; P539-V543 WeakPolarHBondContact O-CG2 3.26Å; P539-V543 PolarHBondContact O-N 3.45Å
540	S	98.2	Very high	96.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-68.2	-47.6	176.1	-74.5	0	0	0	0	112.4	H447 I451 I536 V537 E538 Q542 V543 L544	H447-S540 PolarHBondContact CE1-OG 2.91Å; I451-S540 WeakPolarHBondContact CD1-OG 3.37Å; I536-S540 WeakPolarHBondContact O-CB 3.31Å; I536-S540 PolarHBondContact O-N 3.4Å; I536-S540 VanDerWaalsContact O-N 3.1Å; I536-S540 PolarHBondContact O-OG 3.35Å; I536-S540 VanDerWaalsContact O-OG 3.05Å; V537-S540 WeakPolarHBondContact O-CB 3.31Å; V537-S540 PolarHBondContact O-N 3.42Å; V537-S540 VanDerWaalsContact O-N 3.09Å; E538-S540 VanDerWaalsContact C-N 3.32Å; E538-S540 PolarHBondContact O-N 3.16Å; S540-Q542 VanDerWaalsContact C-N 3.28Å; S540-Q542 PolarHBondContact O-N 3.06Å; S540-V543 PolarHBondContact O-N 3.33Å; S540-V543 VanDerWaalsContact O-N 3.1Å; S540-L544 PolarHBondContact O-N 3.41Å
541	F	98.6	Very high	96.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.1	-27.5	179.6	-86.7	-97.1	0	0	0	112.6	W271 C476 A483 V537 E538 L544 G545 W587 F591	W271-F541 HydrophobicContact CH2-CE1 4.01Å; W271-F541 AromaticContact CZ2-CE1 3.95Å; W271-F541 HydrophobicContact CZ2-CE1 3.95Å; C476-F541 HydrophobicContact CB-CE2 4.09Å; C476-F541 HydrophobicContact CB-CZ 4.13Å; C476-F541 WeakPolarHBondContact O-CE2 3.42Å; C476-F541 WeakPolarHBondContact O-CZ 3.49Å; A483-F541 HydrophobicContact CB-CD1 4.39Å; A483-F541 HydrophobicContact CB-CE1 3.91Å; A483-F541 HydrophobicContact CB-CE2 4.13Å; A483-F541 HydrophobicContact CB-CZ 3.77Å; V537-F541 HydrophobicContact CG1-CD2 3.55Å; V537-F541 HydrophobicContact CG1-CE2 3.66Å; V537-F541 WeakPolarHBondContact O-CD2 3.37Å; V537-F541 PolarHBondContact O-N 3.24Å; E538-F541 PolarHBondContact O-N 3.05Å; F541-L544 HydrophobicContact CD1-CD2 3.89Å; F541-L544 HydrophobicContact CE1-CD2 4.01Å; F541-G545 PolarHBondContact O-N 2.84Å; F541-W587 HydrophobicContact CB-CD2 4.42Å; F541-W587 HydrophobicContact CB-CG 4.24Å; F541-W587 HydrophobicContact CD1-CB 4.14Å; F541-W587 AromaticContact CD1-CD2 3.48Å; F541-W587 HydrophobicContact CD1-CD2 3.48Å; F541-W587 VanDerWaalsContact CD1-CD2 3.48Å; F541-W587 AromaticContact CD1-CE2 3.87Å; F541-W587 AromaticContact CD1-CE3 3.69Å; F541-W587 HydrophobicContact CD1-CE3 3.69Å; F541-W587 AromaticContact CD1-CG 3.67Å; F541-W587 HydrophobicContact CD1-CG 3.67Å; F541-W587 HydrophobicContact CD1-CZ2 4.43Å; F541-W587 HydrophobicContact CD1-CZ3 4.22Å; F541-W587 HydrophobicContact CE1-CD2 4.19Å; F541-W587 AromaticContact CE1-CE3 3.99Å; F541-W587 HydrophobicContact CE1-CE3 3.99Å; F541-W587 HydrophobicContact CE1-CG 4.43Å; F541-W587 HydrophobicContact CG-CD2 4.38Å; F541-W587 HydrophobicContact CG-CG 4.26Å; F541-F591 HydrophobicContact CB-CE2 3.87Å; F541-F591 HydrophobicContact CB-CZ 3.81Å; F541-F591 HydrophobicContact CD1-CZ 4.48Å; F541-F591 AromaticContact CD2-CZ 3.94Å; F541-F591 HydrophobicContact CD2-CZ 3.94Å; F541-F591 HydrophobicContact CG-CE2 4.35Å; F541-F591 AromaticContact CG-CZ 3.81Å; F541-F591 HydrophobicContact CG-CZ 3.81Å
542	Q	98.4	Very high	96.4	Very high	91 Å²	91	31.6 Å²	31.6	43%	0.425	15%	0.154	S	C	.	.	H	α-helix	trans	-60.9	-49.1	167.2	-179	60.8	40	0	0	111	E538 S540 G545 D546	E538-Q542 WeakPolarHBondContact O-CB 3.48Å; E538-Q542 PolarHBondContact O-N 3.37Å; S540-Q542 VanDerWaalsContact C-N 3.28Å; S540-Q542 PolarHBondContact O-N 3.06Å; Q542-G545 PolarHBondContact O-N 3.16Å; Q542-D546 VanDerWaalsContact NE2-CG 3.32Å; Q542-D546 PolarHBondContact NE2-OD1 3Å; Q542-D546 PolarHBondContact NE2-OD2 3.45Å; Q542-D546 PolarHBondContact O-N 3.36Å
543	V	98.4	Very high	96.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-66.8	-37	178.5	176.4	0	0	0	0	112.1	I451 M454 K455 I458 L472 P539 S540 D546 M547	I451-V543 HydrophobicContact CG2-CG2 4.02Å; M454-V543 HydrophobicContact CB-CG1 3.83Å; M454-V543 HydrophobicContact CG-CG1 3.67Å; K455-V543 HydrophobicContact CD-CG2 3.94Å; K455-V543 HydrophobicContact CG-CG1 4.29Å; K455-V543 HydrophobicContact CG-CG2 3.49Å; K455-V543 VanDerWaalsContact CG-CG2 3.49Å; I458-V543 HydrophobicContact CD1-CG1 3.97Å; L472-V543 HydrophobicContact CD2-CG1 3.92Å; P539-V543 WeakPolarHBondContact O-CG2 3.26Å; P539-V543 PolarHBondContact O-N 3.45Å; S540-V543 PolarHBondContact O-N 3.33Å; S540-V543 VanDerWaalsContact O-N 3.1Å; V543-D546 PolarHBondContact O-N 2.96Å; V543-M547 WeakPolarHBondContact O-CB 3.46Å; V543-M547 PolarHBondContact O-N 3.47Å
544	L	98.6	Very high	95.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.2	-50.2	172.9	178.6	69	0	0	0	110.8	I345 I473 C476 S540 F541 D546 M547 I548 W587	I345-L544 HydrophobicContact CD1-CD2 3.91Å; I345-L544 HydrophobicContact CG1-CD2 4.41Å; I345-L544 HydrophobicContact CG2-CD1 4.5Å; I473-L544 HydrophobicContact CG1-CD1 4.02Å; C476-L544 HydrophobicContact CB-CD2 3.89Å; S540-L544 PolarHBondContact O-N 3.41Å; F541-L544 HydrophobicContact CD1-CD2 3.89Å; F541-L544 HydrophobicContact CE1-CD2 4.01Å; L544-D546 PolarHBondContact O-N 3.22Å; L544-M547 HydrophobicContact CD1-CE 3.83Å; L544-M547 PolarHBondContact O-N 3.44Å; L544-I548 HydrophobicContact CD1-CD1 4.01Å; L544-I548 HydrophobicContact CG-CD1 3.89Å; L544-I548 VanDerWaalsContact O-CG1 3.25Å; L544-I548 WeakPolarHBondContact O-CG1 3.18Å; L544-I548 PolarHBondContact O-N 2.8Å; L544-W587 HydrophobicContact CD2-CH2 4.41Å
545	G	97.8	Very high	93.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.9	-45.6	177.7	0	0	0	0	0	112.4	F541 Q542 M547 I548 E549 R585	F541-G545 PolarHBondContact O-N 2.84Å; Q542-G545 PolarHBondContact O-N 3.16Å; G545-M547 PolarHBondContact O-N 2.75Å; G545-I548 PolarHBondContact O-N 2.67Å; G545-E549 WeakPolarHBondContact O-CB 3.48Å; G545-E549 PolarHBondContact O-N 3.46Å; G545-R585 VanDerWaalsContact C-NH2 3.31Å
546	D	97	Very high	92	Very high	50 Å²	50	40.2 Å²	40.2	27%	0.267	21%	0.208	S	C	.	.	H	α-helix	trans	-67.3	-36	179.7	-60.6	-13.2	0	0	0	111.8	I458 Q542 V543 L544 R550 R585	I458-D546 HydrophobicContact CD1-CB 4.02Å; I458-D546 HydrophobicContact CG2-CB 4.45Å; Q542-D546 VanDerWaalsContact NE2-CG 3.32Å; Q542-D546 PolarHBondContact NE2-OD1 3Å; Q542-D546 PolarHBondContact NE2-OD2 3.45Å; Q542-D546 PolarHBondContact O-N 3.36Å; V543-D546 PolarHBondContact O-N 2.96Å; L544-D546 PolarHBondContact O-N 3.22Å; D546-R550 WeakPolarHBondContact O-CB 3.35Å; D546-R550 PolarHBondContact O-N 3.16Å; D546-R585 IonicContact OD1-CZ 3.07Å; D546-R585 IonicContact OD1-NH1 2.66Å; D546-R585 PolarHBondContact OD1-NH1 2.91Å; D546-R585 IonicContact OD1-NH2 2.62Å; D546-R585 PolarHBondContact OD1-NH2 3.08Å
547	M	97.3	Very high	89.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-47.5	173.6	179.7	-170.3	76.2	0	0	111.3	M454 I458 I464 A469 L472 I473 V543 L544 G545 R550 I551	M454-M547 HydrophobicContact CE-CG 4.38Å; M454-M547 HydrophobicContact CE-SD 3.52Å; M454-M547 VanDerWaalsContact CE-SD 3.52Å; M454-M547 HydrophobicContact CG-CB 4.29Å; M454-M547 HydrophobicContact CG-CG 4.28Å; M454-M547 HydrophobicContact CG-SD 4.11Å; M454-M547 HydrophobicContact SD-CB 4.37Å; M454-M547 HydrophobicContact SD-CG 3.78Å; M454-M547 HydrophobicContact SD-SD 3.7Å; M454-M547 VanDerWaalsContact SD-SD 3.7Å; I458-M547 HydrophobicContact CD1-CB 3.96Å; I458-M547 HydrophobicContact CG1-CB 4.34Å; I464-M547 HydrophobicContact CG2-CG 4.15Å; A469-M547 VanDerWaalsContact CA-SD 3.51Å; A469-M547 HydrophobicContact CB-CE 3.99Å; A469-M547 HydrophobicContact CB-CG 4.38Å; A469-M547 HydrophobicContact CB-SD 3.39Å; A469-M547 WeakPolarHBondContact CB-SD 3.38Å; L472-M547 HydrophobicContact CB-SD 4.33Å; L472-M547 HydrophobicContact CD2-CE 4.35Å; L472-M547 HydrophobicContact CD2-SD 3.82Å; I473-M547 HydrophobicContact CD1-CE 4.44Å; I473-M547 HydrophobicContact CG1-CE 4.04Å; V543-M547 WeakPolarHBondContact O-CB 3.46Å; V543-M547 PolarHBondContact O-N 3.47Å; L544-M547 HydrophobicContact CD1-CE 3.83Å; L544-M547 PolarHBondContact O-N 3.44Å; G545-M547 PolarHBondContact O-N 2.75Å; M547-R550 PolarHBondContact O-N 3.14Å; M547-I551 HydrophobicContact CG-CD1 3.98Å; M547-I551 WeakPolarHBondContact O-CG1 3.39Å; M547-I551 PolarHBondContact O-N 3.48Å; M547-I551 VanDerWaalsContact O-N 3.09Å
548	I	96.6	Very high	86.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-47.5	178.4	-68.4	165.4	0	0	0	109.2	I345 N349 L351 L544 G545 R550 I551 V552 V583	I345-I548 HydrophobicContact CG2-CD1 3.85Å; N349-I548 HydrophobicContact CB-CG2 3.85Å; L351-I548 HydrophobicContact CD2-CG2 4.44Å; L544-I548 HydrophobicContact CD1-CD1 4.01Å; L544-I548 HydrophobicContact CG-CD1 3.89Å; L544-I548 VanDerWaalsContact O-CG1 3.25Å; L544-I548 WeakPolarHBondContact O-CG1 3.18Å; L544-I548 PolarHBondContact O-N 2.8Å; G545-I548 PolarHBondContact O-N 2.67Å; I548-R550 VanDerWaalsContact C-N 3.25Å; I548-R550 PolarHBondContact O-N 2.99Å; I548-I551 WeakPolarHBondContact O-CA 3.29Å; I548-I551 WeakPolarHBondContact O-CB 3.32Å; I548-I551 PolarHBondContact O-N 2.82Å; I548-V552 HydrophobicContact CG2-CG2 3.75Å; I548-V552 WeakPolarHBondContact O-CG2 3.41Å; I548-V552 PolarHBondContact O-N 2.92Å; I548-V583 HydrophobicContact CB-CG1 4.14Å; I548-V583 HydrophobicContact CG2-CB 4.49Å; I548-V583 HydrophobicContact CG2-CG1 3.76Å; I548-V583 HydrophobicContact CG2-CG2 3.86Å
549	E	94.6	Very high	84	Confident	84 Å²	84	52.9 Å²	52.9	39%	0.393	29%	0.291	S	S	.	.	H	α-helix	trans	-56.5	-40.9	178.4	-170.9	168.9	-178.6	0	0	112	G545 I551 N553 V583 R585	G545-E549 WeakPolarHBondContact O-CB 3.48Å; G545-E549 PolarHBondContact O-N 3.46Å; E549-I551 VanDerWaalsContact C-N 3.31Å; E549-I551 PolarHBondContact O-N 3.47Å; E549-N553 WeakPolarHBondContact O-CA 3.39Å; E549-N553 WeakPolarHBondContact O-CB 3.02Å; E549-N553 PolarHBondContact O-N 3.06Å; E549-V583 HydrophobicContact CB-CG2 3.8Å; E549-V583 HydrophobicContact CG-CG2 4.27Å; E549-R585 IonicContact OE2-NH2 3.36Å; E549-R585 PolarHBondContact OE2-NH2 3.19Å
550	R	93.2	Very high	81	Confident	35 Å²	35	57.9 Å²	57.9	13%	0.132	32%	0.321	C	S	.	.	H	α-helix	trans	-65.5	-30.9	174.4	-178.3	60.7	179.9	102.3	-2.2	113.8	P461 E462 I464 D546 M547 I548 T555	P461-R550 PolarHBondContact O-NH2 3Å; E462-R550 PolarHBondContact O-NH2 2.94Å; I464-R550 HydrophobicContact CD1-CG 3.89Å; I464-R550 HydrophobicContact CG1-CB 4.43Å; I464-R550 HydrophobicContact CG1-CG 3.88Å; D546-R550 WeakPolarHBondContact O-CB 3.35Å; D546-R550 PolarHBondContact O-N 3.16Å; M547-R550 PolarHBondContact O-N 3.14Å; I548-R550 VanDerWaalsContact C-N 3.25Å; I548-R550 PolarHBondContact O-N 2.99Å; R550-T555 PolarHBondContact NH1-OG1 2.8Å; R550-T555 PolarHBondContact NH2-OG1 3.32Å
551	I	94.4	Very high	77.9	Confident	21 Å²	21	64.9 Å²	64.9	11%	0.108	36%	0.357	C	S	.	.	H	α-helix	trans	-76.3	-48	177.9	-71.5	162.6	0	0	0	110.8	L351 W355 I464 A469 M547 I548 E549	L351-I551 HydrophobicContact CD2-CG2 4.17Å; W355-I551 HydrophobicContact CB-CG2 3.88Å; W355-I551 HydrophobicContact CD2-CD1 4.23Å; W355-I551 HydrophobicContact CD2-CG1 4.42Å; W355-I551 HydrophobicContact CD2-CG2 3.48Å; W355-I551 VanDerWaalsContact CD2-CG2 3.48Å; W355-I551 HydrophobicContact CE3-CD1 4.01Å; W355-I551 HydrophobicContact CE3-CG2 3.89Å; W355-I551 HydrophobicContact CG-CG2 3.45Å; W355-I551 VanDerWaalsContact CG-CG2 3.45Å; W355-I551 HydrophobicContact CH2-CD1 3.67Å; W355-I551 HydrophobicContact CZ2-CD1 3.84Å; W355-I551 HydrophobicContact CZ2-CG1 4.22Å; W355-I551 HydrophobicContact CZ3-CD1 3.73Å; I464-I551 HydrophobicContact CB-CG1 4.22Å; I464-I551 HydrophobicContact CG1-CG1 4.12Å; I464-I551 HydrophobicContact CG2-CD1 4.46Å; A469-I551 HydrophobicContact CB-CD1 4.46Å; M547-I551 HydrophobicContact CG-CD1 3.98Å; M547-I551 WeakPolarHBondContact O-CG1 3.39Å; M547-I551 PolarHBondContact O-N 3.48Å; M547-I551 VanDerWaalsContact O-N 3.09Å; I548-I551 WeakPolarHBondContact O-CA 3.29Å; I548-I551 WeakPolarHBondContact O-CB 3.32Å; I548-I551 PolarHBondContact O-N 2.82Å; E549-I551 VanDerWaalsContact C-N 3.31Å; E549-I551 PolarHBondContact O-N 3.47Å
552	V	91.7	Very high	75	Confident	22 Å²	22	70.4 Å²	70.4	13%	0.133	39%	0.393	C	S	.	.	H	α-helix	trans	-79.8	-30.6	-176.4	-122	0	0	0	0	112.8	I548 P554 V583	I548-V552 HydrophobicContact CG2-CG2 3.75Å; I548-V552 WeakPolarHBondContact O-CG2 3.41Å; I548-V552 PolarHBondContact O-N 2.92Å; V552-P554 WeakPolarHBondContact O-CD 3.29Å; V552-V583 HydrophobicContact CG2-CG2 4.03Å
553	N	89	Confident	72	Confident	38 Å²	38	72.5 Å²	72.5	20%	0.203	41%	0.413	C	S	.	.	S	Bend	trans	-114.8	70.9	175.2	-57.1	-53.3	0	0	0	110.3	E549 T555 Q581	E549-N553 WeakPolarHBondContact O-CA 3.39Å; E549-N553 WeakPolarHBondContact O-CB 3.02Å; E549-N553 PolarHBondContact O-N 3.06Å; N553-T555 PolarHBondContact O-N 3.03Å; N553-Q581 PolarHBondContact ND2-O 3.38Å; N553-Q581 PolarHBondContact OD1-N 2.99Å
554	P	78.3	Confident	68.9	Low	84 Å²	84	79.7 Å²	79.7	55%	0.545	45%	0.451	S	S	.	.			trans	-61.4	125.3	177.9	25.2	-31.9	0	0	0	109.6	V552 Q556	V552-P554 WeakPolarHBondContact O-CD 3.29Å; P554-Q556 PolarHBondContact O-N 3.43Å; P554-Q556 VanDerWaalsContact O-N 3.1Å
555	T	69.2	Low	65.7	Low	82 Å²	82	85.2 Å²	85.2	50%	0.503	49%	0.485	S	S	.	.			trans	-54.7	119.9	175.4	34.3	0	0	0	0	109.3	R550 N553 T557	R550-T555 PolarHBondContact NH1-OG1 2.8Å; R550-T555 PolarHBondContact NH2-OG1 3.32Å; N553-T555 PolarHBondContact O-N 3.03Å; T555-T557 PolarHBondContact O-N 3.39Å; T555-T557 PolarHBondContact O-OG1 3.41Å
556	Q	52.6	Low	62.7	Low	194 Å²	194	91.5 Å²	91.5	91%	0.907	52%	0.523	S	S	*	.			trans	-62.3	86.8	172.7	-69.3	-173.6	9.5	0	0	108.9	P554	P554-Q556 PolarHBondContact O-N 3.43Å; P554-Q556 VanDerWaalsContact O-N 3.1Å
557	T	42.1	Very low	59.6	Low	104 Å²	104	94.6 Å²	94.6	64%	0.638	55%	0.549	S	S	*	.			trans	-123.5	43	174	-21.6	0	0	0	0	109.5	T555	T555-T557 PolarHBondContact O-N 3.39Å; T555-T557 PolarHBondContact O-OG1 3.41Å
558	E	42.2	Very low	56.8	Low	198 Å²	198	100.5 Å²	100.5	93%	0.925	59%	0.587	S	S	*	*	S	Bend	trans	-105.8	90.9	165.2	-72.5	-164.3	165.7	0	0	110
559	G	38.7	Very low	53.6	Low	63 Å²	63	110.1 Å²	110.1	65%	0.649	63%	0.629	S	S	*	*			trans	63.3	83.5	140	0	0	0	0	0	119.1	L561	G559-L561 PolarHBondContact O-N 2.75Å
560	V	33.2	Very low	50.6	Low	148 Å²	148	111.9 Å²	111.9	90%	0.897	65%	0.647	S	S	*	*			trans	-69.2	89.1	142.6	-179.3	0	0	0	0	107.2
561	L	33.5	Very low	47.5	Very low	148 Å²	148	120.2 Å²	120.2	78%	0.775	69%	0.685	S	S	*	*			trans	-82.1	122.4	161	-84.8	163.4	0	0	0	107.8	G559 T563	G559-L561 PolarHBondContact O-N 2.75Å; L561-T563 PolarHBondContact O-N 2.61Å
562	P	39.2	Very low	44.5	Very low	115 Å²	115	124.4 Å²	124.4	75%	0.747	72%	0.716	S	S	*	*			trans	-79.7	108	175.5	30.5	-28	0	0	0	108.3
563	T	34.7	Very low	41.6	Very low	136 Å²	136	128.4 Å²	128.4	83%	0.834	75%	0.745	S	S	*	*			trans	-119.2	121	162.2	49.4	0	0	0	0	111	L561	L561-T563 PolarHBondContact O-N 2.61Å
564	D	32.9	Very low	38.9	Very low	151 Å²	151	133.5 Å²	133.5	81%	0.807	77%	0.772	S	S	*	*			trans	-51.6	143.5	178.8	-101.2	-37.3	0	0	0	115
565	T	30.7	Very low	36.7	Very low	117 Å²	117	138.5 Å²	138.5	72%	0.718	79%	0.788	S	S	*	*			trans	37.5	109.9	148.8	44	0	0	0	0	119.4
566	T	35	Very low	35	Very low	132 Å²	132	142.9 Å²	142.9	81%	0.81	80%	0.803	S	S	*	*				177.7	113.5	109.3	29.2	0	0	0	0	112.7
567	S	32.2	Very low	34.2	Very low	114 Å²	114	139.9 Å²	139.9	80%	0.797	80%	0.798	S	S	*	*			trans	68.3	145.7	142.1	-53.2	0	0	0	0	121.9
568	P	37.9	Very low	34.5	Very low	124 Å²	124	141.2 Å²	141.2	81%	0.805	81%	0.806	S	S	*	*			trans	-104.1	140.5	-147.6	37.1	-28	0	0	0	114.1
569	K	31.1	Very low	35.2	Very low	203 Å²	203	134.6 Å²	134.6	88%	0.883	79%	0.791	S	S	*	*			trans	-136.2	154.8	161.6	-89.8	-171	179.4	179.1	0	110.2
570	P	30.8	Very low	36.5	Very low	120 Å²	120	139.6 Å²	139.6	78%	0.779	80%	0.798	S	S	*	*			trans	-82.2	150.7	-140.1	32.2	-34.4	0	0	0	113.6	S572	P570-S572 PolarHBondContact O-N 3.41Å; P570-S572 VanDerWaalsContact O-N 3.11Å
571	K	27.6	Very low	38.5	Very low	210 Å²	210	135.6 Å²	135.6	91%	0.913	77%	0.769	S	S	*	*			trans	-61.2	103.1	176.1	-63.4	177.6	176	-176.7	0	110.3
572	S	31.6	Very low	40.9	Very low	110 Å²	110	134.6 Å²	134.6	77%	0.769	77%	0.769	S	S	*	*			trans	-79.4	107.7	152.5	51.9	0	0	0	0	107.2	P570 D574	P570-S572 PolarHBondContact O-N 3.41Å; P570-S572 VanDerWaalsContact O-N 3.11Å; S572-D574 VanDerWaalsContact C-N 3.34Å; S572-D574 PolarHBondContact O-N 2.86Å; S572-D574 VanDerWaalsContact O-N 3.12Å
573	S	32.1	Very low	43.4	Very low	105 Å²	105	129.7 Å²	129.7	73%	0.734	74%	0.737	S	S	*	*			trans	-75.7	82.4	173.8	51.2	0	0	0	0	109.4
574	D	31.5	Very low	46.2	Very low	145 Å²	145	125.6 Å²	125.6	78%	0.775	71%	0.712	S	S	*	*			trans	-150.8	61	162.9	-73	-47.1	0	0	0	107.6	S572 E576	S572-D574 VanDerWaalsContact C-N 3.34Å; S572-D574 PolarHBondContact O-N 2.86Å; S572-D574 VanDerWaalsContact O-N 3.12Å; D574-E576 PolarHBondContact O-N 3.17Å
575	Q	31.9	Very low	49.2	Very low	189 Å²	189	121.2 Å²	121.2	88%	0.883	69%	0.685	S	S	*	*			trans	-79.4	85.3	150.9	-80.7	-177	-26.1	0	0	104.8	T577	Q575-T577 VanDerWaalsContact C-N 3.31Å; Q575-T577 PolarHBondContact O-N 3.34Å
576	E	33.1	Very low	52.3	Low	174 Å²	174	117.8 Å²	117.8	81%	0.813	66%	0.664	S	S	*	*			trans	-54.5	106.2	159.7	-81.5	-178.9	155	0	0	105.9	D574 V578	D574-E576 PolarHBondContact O-N 3.17Å; E576-V578 VanDerWaalsContact C-N 3.26Å; E576-V578 PolarHBondContact O-N 3.01Å
577	T	36.9	Very low	55.3	Low	132 Å²	132	111.6 Å²	111.6	81%	0.81	63%	0.626	S	S	*	*			trans	-57.9	99.6	163.8	42.5	0	0	0	0	105.8	Q575 G579	Q575-T577 VanDerWaalsContact C-N 3.31Å; Q575-T577 PolarHBondContact O-N 3.34Å; T577-G579 VanDerWaalsContact C-N 3.32Å; T577-G579 PolarHBondContact O-N 3.3Å
578	V	48	Very low	58.4	Low	131 Å²	131	109.6 Å²	109.6	79%	0.794	61%	0.609	S	S	*	*			trans	-55.3	103.6	167.6	-179.3	0	0	0	0	105.1	E576 E580	E576-V578 VanDerWaalsContact C-N 3.26Å; E576-V578 PolarHBondContact O-N 3.01Å; V578-E580 PolarHBondContact O-N 3.17Å
579	G	55.7	Low	61.3	Low	60 Å²	60	109 Å²	109	62%	0.619	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-60.8	136.2	178.6	0	0	0	0	0	108.7	T577 Q581	T577-G579 VanDerWaalsContact C-N 3.32Å; T577-G579 PolarHBondContact O-N 3.3Å; G579-Q581 PolarHBondContact O-N 3.23Å; G579-Q581 VanDerWaalsContact O-N 3.17Å
580	E	67	Low	64.5	Low	168 Å²	168	100.4 Å²	100.4	79%	0.785	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-53.6	121.7	173.6	-72.1	174.2	167.1	0	0	109	V578 V582	V578-E580 PolarHBondContact O-N 3.17Å; E580-V582 PolarHBondContact O-N 3.35Å
581	Q	74.5	Confident	67.7	Low	63 Å²	63	94.9 Å²	94.9	29%	0.294	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-69.6	119.3	176.5	-177.6	170.3	-4.8	0	0	108.2	D350 N553 G579 V583	D350-Q581 PolarHBondContact OD2-NE2 2.95Å; N553-Q581 PolarHBondContact ND2-O 3.38Å; N553-Q581 PolarHBondContact OD1-N 2.99Å; G579-Q581 PolarHBondContact O-N 3.23Å; G579-Q581 VanDerWaalsContact O-N 3.17Å; Q581-V583 PolarHBondContact O-N 3.35Å
582	V	84.2	Confident	71	Confident	128 Å²	128	90.3 Å²	90.3	78%	0.776	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-74.4	118	177.5	-179.1	0	0	0	0	108.8	E580 P584	E580-V582 PolarHBondContact O-N 3.35Å; V582-P584 VanDerWaalsContact O-CD 3.29Å; V582-P584 WeakPolarHBondContact O-CD 3.39Å
583	V	91.4	Very high	74.2	Confident	12 Å²	12	89.2 Å²	89.2	7%	0.073	48%	0.484	C	S	.	.			trans	-73.7	115.5	176.2	172.8	0	0	0	0	109.6	N349 I548 E549 V552 Q581 R585	N349-V583 WeakPolarHBondContact OD1-CG1 3.34Å; I548-V583 HydrophobicContact CB-CG1 4.14Å; I548-V583 HydrophobicContact CG2-CB 4.49Å; I548-V583 HydrophobicContact CG2-CG1 3.76Å; I548-V583 HydrophobicContact CG2-CG2 3.86Å; E549-V583 HydrophobicContact CB-CG2 3.8Å; E549-V583 HydrophobicContact CG-CG2 4.27Å; V552-V583 HydrophobicContact CG2-CG2 4.03Å; Q581-V583 PolarHBondContact O-N 3.35Å; V583-R585 HydrophobicContact CG1-CG 4.46Å; V583-R585 PolarHBondContact O-N 2.96Å
584	P	94.1	Very high	77.4	Confident	49 Å²	49	84.2 Å²	84.2	32%	0.318	45%	0.45	S	S	.	.			trans	-64	134.2	174.9	26.9	-36	0	0	0	111.2	M348 N349 V582	M348-P584 HydrophobicContact CB-CG 4.09Å; M348-P584 HydrophobicContact CG-CG 3.79Å; M348-P584 WeakPolarHBondContact O-CG 3.3Å; M348-P584 HydrophobicContact SD-CG 4.24Å; N349-P584 WeakPolarHBondContact OD1-CD 3.29Å; V582-P584 VanDerWaalsContact O-CD 3.29Å; V582-P584 WeakPolarHBondContact O-CD 3.39Å
585	R	96.4	Very high	80.6	Confident	60 Å²	60	79.4 Å²	79.4	23%	0.226	42%	0.422	C	S	.	.			trans	-127	64.5	179.1	-56.3	-167.8	-173.9	-158.1	1.7	111	G545 D546 E549 V583 W587 V588	G545-R585 VanDerWaalsContact C-NH2 3.31Å; D546-R585 IonicContact OD1-CZ 3.07Å; D546-R585 IonicContact OD1-NH1 2.66Å; D546-R585 PolarHBondContact OD1-NH1 2.91Å; D546-R585 IonicContact OD1-NH2 2.62Å; D546-R585 PolarHBondContact OD1-NH2 3.08Å; E549-R585 IonicContact OE2-NH2 3.36Å; E549-R585 PolarHBondContact OE2-NH2 3.19Å; V583-R585 HydrophobicContact CG1-CG 4.46Å; V583-R585 PolarHBondContact O-N 2.96Å; R585-W587 HydrophobicContact CB-CD2 4.27Å; R585-W587 HydrophobicContact CB-CH2 4.31Å; R585-W587 HydrophobicContact CB-CZ2 3.64Å; R585-W587 HydrophobicContact CG-CH2 4.19Å; R585-W587 HydrophobicContact CG-CZ2 3.54Å; R585-W587 PolarHBondContact O-N 3.02Å; R585-W587 VanDerWaalsContact O-N 3.13Å; R585-V588 HydrophobicContact CB-CG2 3.9Å; R585-V588 PolarHBondContact O-N 3.15Å
586	P	95.6	Very high	83.7	Confident	44 Å²	44	74.9 Å²	74.9	29%	0.286	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.6	-173.8	24.7	-35.1	0	0	0	113.6	W271 M348 V588 H590	W271-P586 HydrophobicContact CB-CG 4.39Å; W271-P586 HydrophobicContact CD2-CB 4.42Å; W271-P586 HydrophobicContact CD2-CG 3.63Å; W271-P586 HydrophobicContact CE3-CG 3.95Å; W271-P586 HydrophobicContact CG-CB 4.11Å; W271-P586 HydrophobicContact CG-CG 3.81Å; M348-P586 HydrophobicContact SD-CG 4.2Å; P586-V588 VanDerWaalsContact C-N 3.26Å; P586-V588 PolarHBondContact O-N 3.25Å; P586-H590 PolarHBondContact O-CD2 2.98Å
587	W	98	Very high	86.8	Confident	3 Å²	3	67.8 Å²	67.8	1%	0.011	37%	0.371	C	S	.	.	H	α-helix	trans	-63.6	-21.5	179.6	53.7	78.8	0	0	0	115.5	W271 M348 A483 F541 L544 R585 E589 H590 F591	W271-W587 AromaticContact CH2-CE3 3.8Å; W271-W587 HydrophobicContact CH2-CE3 3.8Å; W271-W587 HydrophobicContact CH2-CZ3 4.07Å; W271-W587 HydrophobicContact CZ2-CB 4.47Å; W271-W587 AromaticContact CZ2-CE3 3.8Å; W271-W587 HydrophobicContact CZ2-CE3 3.8Å; W271-W587 HydrophobicContact CZ3-CE3 4.47Å; W271-W587 HydrophobicContact CZ3-CZ3 4.48Å; M348-W587 HydrophobicContact CE-CE3 4.4Å; M348-W587 HydrophobicContact CE-CH2 4.15Å; M348-W587 HydrophobicContact CE-CZ3 3.46Å; M348-W587 VanDerWaalsContact CE-CZ3 3.46Å; A483-W587 HydrophobicContact CB-CB 3.63Å; F541-W587 HydrophobicContact CB-CD2 4.42Å; F541-W587 HydrophobicContact CB-CG 4.24Å; F541-W587 HydrophobicContact CD1-CB 4.14Å; F541-W587 AromaticContact CD1-CD2 3.48Å; F541-W587 HydrophobicContact CD1-CD2 3.48Å; F541-W587 VanDerWaalsContact CD1-CD2 3.48Å; F541-W587 AromaticContact CD1-CE2 3.87Å; F541-W587 AromaticContact CD1-CE3 3.69Å; F541-W587 HydrophobicContact CD1-CE3 3.69Å; F541-W587 AromaticContact CD1-CG 3.67Å; F541-W587 HydrophobicContact CD1-CG 3.67Å; F541-W587 HydrophobicContact CD1-CZ2 4.43Å; F541-W587 HydrophobicContact CD1-CZ3 4.22Å; F541-W587 HydrophobicContact CE1-CD2 4.19Å; F541-W587 AromaticContact CE1-CE3 3.99Å; F541-W587 HydrophobicContact CE1-CE3 3.99Å; F541-W587 HydrophobicContact CE1-CG 4.43Å; F541-W587 HydrophobicContact CG-CD2 4.38Å; F541-W587 HydrophobicContact CG-CG 4.26Å; L544-W587 HydrophobicContact CD2-CH2 4.41Å; R585-W587 HydrophobicContact CB-CD2 4.27Å; R585-W587 HydrophobicContact CB-CH2 4.31Å; R585-W587 HydrophobicContact CB-CZ2 3.64Å; R585-W587 HydrophobicContact CG-CH2 4.19Å; R585-W587 HydrophobicContact CG-CZ2 3.54Å; R585-W587 PolarHBondContact O-N 3.02Å; R585-W587 VanDerWaalsContact O-N 3.13Å; W587-E589 PolarHBondContact O-N 2.98Å; W587-H590 PolarHBondContact O-N 3.35Å; W587-F591 HydrophobicContact CB-CE2 3.99Å; W587-F591 HydrophobicContact CB-CZ 3.95Å; W587-F591 AromaticContact CD1-CE2 3.47Å; W587-F591 VanDerWaalsContact CD1-CE2 3.47Å; W587-F591 HydrophobicContact CG-CE2 4.03Å; W587-F591 HydrophobicContact CG-CZ 4.29Å; W587-F591 VanDerWaalsContact O-CD2 3.3Å; W587-F591 WeakPolarHBondContact O-CD2 3.24Å; W587-F591 VanDerWaalsContact O-CG 3.32Å; W587-F591 WeakPolarHBondContact O-CG 3.48Å; W587-F591 PolarHBondContact O-N 2.98Å
588	V	97.6	Very high	89.7	Confident	72 Å²	72	61.7 Å²	61.7	44%	0.436	33%	0.333	S	S	.	.	H	α-helix	trans	-62.2	-46	-174.8	174.2	0	0	0	0	111.6	R585 P586 K592	R585-V588 HydrophobicContact CB-CG2 3.9Å; R585-V588 PolarHBondContact O-N 3.15Å; P586-V588 VanDerWaalsContact C-N 3.26Å; P586-V588 PolarHBondContact O-N 3.25Å; V588-K592 PolarHBondContact O-N 2.84Å
589	E	97.4	Very high	92.1	Very high	112 Å²	112	58.4 Å²	58.4	52%	0.523	32%	0.316	S	S	.	.	H	α-helix	trans	-68.5	-40.2	177.7	-67.2	-57.7	139	0	0	111	W587 F591 K592 E593	W587-E589 PolarHBondContact O-N 2.98Å; E589-F591 PolarHBondContact O-N 3.34Å; E589-K592 WeakPolarHBondContact O-CB 3.34Å; E589-K592 PolarHBondContact O-N 3.4Å; E589-K592 VanDerWaalsContact O-N 3.1Å; E589-E593 WeakPolarHBondContact O-CG 3.36Å; E589-E593 PolarHBondContact O-N 3.44Å
590	H	98.5	Very high	94	Very high	22 Å²	22	63.3 Å²	63.3	10%	0.102	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-39	178.5	-65.6	-39.4	0	0	0	113	W271 N272 A483 P586 W587 K592 E593 N594	W271-H590 AromaticContact CD1-CD2 4Å; N272-H590 PolarHBondContact ND2-NE2 3.29Å; N272-H590 VanDerWaalsContact ND2-NE2 3.13Å; N272-H590 PolarHBondContact OD1-NE2 3.17Å; A483-H590 PolarHBondContact O-CD2 3.09Å; A483-H590 VanDerWaalsContact O-CD2 3.25Å; P586-H590 PolarHBondContact O-CD2 2.98Å; W587-H590 PolarHBondContact O-N 3.35Å; H590-K592 VanDerWaalsContact C-N 3.28Å; H590-K592 PolarHBondContact O-N 3.21Å; H590-E593 IonicContact CE1-OE2 2.61Å; H590-E593 IonicContact ND1-OE2 3.6Å; H590-E593 PolarHBondContact ND1-OE2 2.93Å; H590-E593 PolarHBondContact O-N 3.11Å; H590-N594 WeakPolarHBondContact O-CB 3.4Å; H590-N594 PolarHBondContact O-N 2.73Å; H590-N594 PolarHBondContact O-ND2 3.38Å
591	F	98.5	Very high	95.4	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-40.4	173.6	-65.5	-35.5	0	0	0	112.4	P482 A483 I533 V537 E538 F541 W587 E589 K595	P482-F591 VanDerWaalsContact O-CD1 3.29Å; P482-F591 WeakPolarHBondContact O-CD1 3.39Å; A483-F591 VanDerWaalsContact CA-CE1 3.5Å; A483-F591 HydrophobicContact CB-CE1 3.61Å; A483-F591 HydrophobicContact CB-CZ 3.81Å; I533-F591 HydrophobicContact CG2-CB 3.99Å; I533-F591 HydrophobicContact CG2-CD1 3.93Å; I533-F591 HydrophobicContact CG2-CG 4.11Å; V537-F591 HydrophobicContact CB-CE1 4.28Å; V537-F591 HydrophobicContact CG1-CE1 3.51Å; V537-F591 HydrophobicContact CG1-CZ 3.72Å; E538-F591 HydrophobicContact CB-CD2 3.95Å; E538-F591 HydrophobicContact CB-CE2 4.03Å; E538-F591 HydrophobicContact CB-CG 4.4Å; E538-F591 HydrophobicContact CG-CD2 3.85Å; E538-F591 HydrophobicContact CG-CE2 4.15Å; F541-F591 HydrophobicContact CB-CE2 3.87Å; F541-F591 HydrophobicContact CB-CZ 3.81Å; F541-F591 HydrophobicContact CD1-CZ 4.48Å; F541-F591 AromaticContact CD2-CZ 3.94Å; F541-F591 HydrophobicContact CD2-CZ 3.94Å; F541-F591 HydrophobicContact CG-CE2 4.35Å; F541-F591 AromaticContact CG-CZ 3.81Å; F541-F591 HydrophobicContact CG-CZ 3.81Å; W587-F591 HydrophobicContact CB-CE2 3.99Å; W587-F591 HydrophobicContact CB-CZ 3.95Å; W587-F591 AromaticContact CD1-CE2 3.47Å; W587-F591 VanDerWaalsContact CD1-CE2 3.47Å; W587-F591 HydrophobicContact CG-CE2 4.03Å; W587-F591 HydrophobicContact CG-CZ 4.29Å; W587-F591 VanDerWaalsContact O-CD2 3.3Å; W587-F591 WeakPolarHBondContact O-CD2 3.24Å; W587-F591 VanDerWaalsContact O-CG 3.32Å; W587-F591 WeakPolarHBondContact O-CG 3.48Å; W587-F591 PolarHBondContact O-N 2.98Å; E589-F591 PolarHBondContact O-N 3.34Å; F591-K595 WeakPolarHBondContact O-CB 3.36Å; F591-K595 WeakPolarHBondContact O-CE 3.44Å; F591-K595 VanDerWaalsContact O-CG 3.25Å; F591-K595 WeakPolarHBondContact O-CG 3.32Å; F591-K595 PolarHBondContact O-N 2.91Å; F591-K595 VanDerWaalsContact O-N 3.09Å
592	K	98	Very high	96.1	Very high	114 Å²	114	59.6 Å²	59.6	50%	0.496	30%	0.303	S	S	.	.	H	α-helix	trans	-67.1	-51.2	177.3	-178.5	-173.9	169.7	-162.8	0	111	V588 E589 H590 N594 K595 E596	V588-K592 PolarHBondContact O-N 2.84Å; E589-K592 WeakPolarHBondContact O-CB 3.34Å; E589-K592 PolarHBondContact O-N 3.4Å; E589-K592 VanDerWaalsContact O-N 3.1Å; H590-K592 VanDerWaalsContact C-N 3.28Å; H590-K592 PolarHBondContact O-N 3.21Å; K592-N594 PolarHBondContact O-N 3.13Å; K592-K595 PolarHBondContact O-N 2.72Å; K592-E596 WeakPolarHBondContact CE-OE1 3.43Å; K592-E596 WeakPolarHBondContact O-CG 3.37Å; K592-E596 PolarHBondContact O-N 3.31Å
593	E	98.2	Very high	96.2	Very high	86 Å²	86	57.3 Å²	57.3	40%	0.402	29%	0.29	S	S	.	.	H	α-helix	trans	-57.8	-46.5	178.9	-70.5	174.2	164.1	0	0	111.8	E589 H590 E596 S597	E589-E593 WeakPolarHBondContact O-CG 3.36Å; E589-E593 PolarHBondContact O-N 3.44Å; H590-E593 IonicContact CE1-OE2 2.61Å; H590-E593 IonicContact ND1-OE2 3.6Å; H590-E593 PolarHBondContact ND1-OE2 2.93Å; H590-E593 PolarHBondContact O-N 3.11Å; E593-E596 PolarHBondContact O-N 3.02Å; E593-S597 WeakPolarHBondContact O-CB 3.45Å; E593-S597 PolarHBondContact O-N 2.94Å; E593-S597 PolarHBondContact O-OG 3.11Å
594	N	98.6	Very high	95.6	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.5	-39.9	-178.8	-69.6	-20	0	0	0	111.7	P482 K484 W486 H489 I533 H590 K592 S597 W598	P482-N594 PolarHBondContact O-ND2 3.27Å; K484-N594 PolarHBondContact O-ND2 3.26Å; W486-N594 VanDerWaalsContact CA-OD1 3.31Å; W486-N594 WeakPolarHBondContact CA-OD1 3.42Å; W486-N594 HydrophobicContact CE3-CB 4.34Å; H489-N594 VanDerWaalsContact CD2-CG 3.45Å; I533-N594 HydrophobicContact CD1-CB 3.99Å; H590-N594 WeakPolarHBondContact O-CB 3.4Å; H590-N594 PolarHBondContact O-N 2.73Å; H590-N594 PolarHBondContact O-ND2 3.38Å; K592-N594 PolarHBondContact O-N 3.13Å; N594-S597 PolarHBondContact O-N 3.33Å; N594-W598 PolarHBondContact O-N 3.4Å
595	K	98.3	Very high	94.6	Very high	44 Å²	44	70.2 Å²	70.2	19%	0.191	35%	0.353	C	S	.	.	H	α-helix	trans	-63.4	-40.8	173.1	-77	-172.8	-70.9	-164.5	0	112.4	I533 D534 E538 F591 K592 S599	I533-K595 HydrophobicContact CB-CD 4.34Å; I533-K595 HydrophobicContact CB-CG 4.27Å; I533-K595 HydrophobicContact CD1-CG 3.86Å; I533-K595 HydrophobicContact CG2-CD 3.83Å; I533-K595 HydrophobicContact CG2-CG 4.01Å; D534-K595 WeakPolarHBondContact OD1-CD 3.38Å; D534-K595 IonicContact OD1-NZ 3.97Å; D534-K595 PolarHBondContact OD1-NZ 3.25Å; E538-K595 IonicContact OE2-NZ 3.92Å; E538-K595 PolarHBondContact OE2-NZ 3.48Å; F591-K595 WeakPolarHBondContact O-CB 3.36Å; F591-K595 WeakPolarHBondContact O-CE 3.44Å; F591-K595 VanDerWaalsContact O-CG 3.25Å; F591-K595 WeakPolarHBondContact O-CG 3.32Å; F591-K595 PolarHBondContact O-N 2.91Å; F591-K595 VanDerWaalsContact O-N 3.09Å; K592-K595 PolarHBondContact O-N 2.72Å; K595-S599 VanDerWaalsContact O-CB 3.29Å; K595-S599 WeakPolarHBondContact O-CB 3.46Å; K595-S599 PolarHBondContact O-N 3.1Å; K595-S599 PolarHBondContact O-OG 2.96Å
596	E	98.1	Very high	92.6	Very high	94 Å²	94	77.2 Å²	77.2	44%	0.439	40%	0.402	S	S	.	.	H	α-helix	trans	-65.1	-43.3	175.8	-72.8	178.9	-166.8	0	0	111.8	K592 E593 S599 K600	K592-E596 WeakPolarHBondContact CE-OE1 3.43Å; K592-E596 WeakPolarHBondContact O-CG 3.37Å; K592-E596 PolarHBondContact O-N 3.31Å; E593-E596 PolarHBondContact O-N 3.02Å; E596-S599 PolarHBondContact O-N 2.86Å; E596-K600 WeakPolarHBondContact O-CG 3.29Å; E596-K600 PolarHBondContact O-N 3.28Å; E596-K600 VanDerWaalsContact O-N 3.15Å
597	S	98.5	Very high	92.5	Very high	26 Å²	26	78.9 Å²	78.9	18%	0.182	41%	0.408	C	S	.	.	H	α-helix	trans	-65.2	-43.6	178	-69.9	0	0	0	0	112.5	W486 E593 N594 S599 K600 K601	W486-S597 VanDerWaalsContact CD2-CB 3.45Å; E593-S597 WeakPolarHBondContact O-CB 3.45Å; E593-S597 PolarHBondContact O-N 2.94Å; E593-S597 PolarHBondContact O-OG 3.11Å; N594-S597 PolarHBondContact O-N 3.33Å; S597-S599 PolarHBondContact O-N 3.28Å; S597-K600 PolarHBondContact O-N 3.08Å; S597-K601 PolarHBondContact O-N 3.3Å
598	W	98.1	Very high	92.2	Very high	4 Å²	4	82.9 Å²	82.9	2%	0.015	43%	0.429	C	S	.	.	H	α-helix	trans	-64.2	-38.8	171.4	-76.8	122.5	0	0	0	112.7	W486 H489 V525 P526 Q529 I530 N594 K600 K601 L602	W486-W598 AromaticContact CH2-CD2 3.62Å; W486-W598 HydrophobicContact CH2-CD2 3.62Å; W486-W598 AromaticContact CH2-CE2 3.59Å; W486-W598 AromaticContact CH2-CE3 3.95Å; W486-W598 HydrophobicContact CH2-CE3 3.95Å; W486-W598 HydrophobicContact CH2-CG 4.04Å; W486-W598 HydrophobicContact CH2-CH2 4.23Å; W486-W598 AromaticContact CH2-CZ2 3.9Å; W486-W598 HydrophobicContact CH2-CZ2 3.9Å; W486-W598 HydrophobicContact CH2-CZ3 4.26Å; W486-W598 AromaticContact CH2-NE1 3.98Å; W486-W598 AromaticContact CZ3-CD1 3.72Å; W486-W598 AromaticContact CZ3-CD2 3.91Å; W486-W598 HydrophobicContact CZ3-CD2 3.91Å; W486-W598 AromaticContact CZ3-CE2 3.66Å; W486-W598 AromaticContact CZ3-CG 3.94Å; W486-W598 HydrophobicContact CZ3-CG 3.94Å; W486-W598 HydrophobicContact CZ3-CZ2 4.22Å; W486-W598 AromaticContact CZ3-NE1 3.54Å; H489-W598 AromaticContact CD2-NE1 3.42Å; H489-W598 PolarHBondContact CD2-NE1 3.22Å; H489-W598 AromaticContact CE1-NE1 3.88Å; H489-W598 AromaticContact NE2-CD1 3.69Å; H489-W598 AromaticContact NE2-CE2 3.85Å; H489-W598 AromaticContact NE2-NE1 2.83Å; H489-W598 PolarHBondContact NE2-NE1 3.12Å; V525-W598 HydrophobicContact CG1-CH2 3.95Å; V525-W598 HydrophobicContact CG1-CZ3 4.02Å; P526-W598 HydrophobicContact CB-CB 4.27Å; P526-W598 HydrophobicContact CB-CD2 4.42Å; P526-W598 HydrophobicContact CB-CE3 3.7Å; P526-W598 HydrophobicContact CB-CZ3 4.49Å; P526-W598 WeakPolarHBondContact CB-O 3.45Å; P526-W598 HydrophobicContact CG-CE3 3.87Å; P526-W598 HydrophobicContact CG-CZ3 4.22Å; Q529-W598 HydrophobicContact CB-CD2 3.95Å; Q529-W598 HydrophobicContact CB-CG 4.05Å; Q529-W598 HydrophobicContact CB-CZ2 4.14Å; Q529-W598 HydrophobicContact CG-CD2 4.29Å; Q529-W598 HydrophobicContact CG-CH2 4.26Å; Q529-W598 HydrophobicContact CG-CZ2 3.7Å; I530-W598 HydrophobicContact CD1-CB 3.9Å; I530-W598 HydrophobicContact CG1-CB 3.7Å; I530-W598 HydrophobicContact CG1-CG 4.49Å; N594-W598 PolarHBondContact O-N 3.4Å; W598-K600 PolarHBondContact O-N 3.46Å; W598-K601 HydrophobicContact CE3-CB 4.35Å; W598-K601 HydrophobicContact CE3-CD 3.74Å; W598-K601 HydrophobicContact CZ3-CD 3.72Å; W598-K601 CarbonylContact O-C 3.57Å; W598-K601 WeakPolarHBondContact O-CA 3.34Å; W598-K601 WeakPolarHBondContact O-CB 3.47Å; W598-K601 PolarHBondContact O-N 3.29Å; W598-L602 PolarHBondContact O-N 3.19Å
599	S	96.9	Very high	91.9	Very high	62 Å²	62	83.5 Å²	83.5	43%	0.434	43%	0.429	S	S	.	.	H	α-helix	trans	-60.5	-34	178.7	-64.9	0	0	0	0	112.3	K595 E596 S597 K601 L602	K595-S599 VanDerWaalsContact O-CB 3.29Å; K595-S599 WeakPolarHBondContact O-CB 3.46Å; K595-S599 PolarHBondContact O-N 3.1Å; K595-S599 PolarHBondContact O-OG 2.96Å; E596-S599 PolarHBondContact O-N 2.86Å; S597-S599 PolarHBondContact O-N 3.28Å; S599-K601 VanDerWaalsContact C-N 3.25Å; S599-K601 PolarHBondContact O-N 2.97Å; S599-L602 PolarHBondContact O-N 3.36Å
600	K	96.7	Very high	91.6	Very high	163 Å²	163	81.8 Å²	81.8	71%	0.709	42%	0.423	S	S	*	.	H	α-helix	trans	-68.5	-23.3	173.9	-66.5	164.5	-169.1	163.9	0	113.1	E596 S597 W598	E596-K600 WeakPolarHBondContact O-CG 3.29Å; E596-K600 PolarHBondContact O-N 3.28Å; E596-K600 VanDerWaalsContact O-N 3.15Å; S597-K600 PolarHBondContact O-N 3.08Å; W598-K600 PolarHBondContact O-N 3.46Å
601	K	95.3	Very high	91.1	Very high	87 Å²	87	85.6 Å²	85.6	38%	0.378	44%	0.443	S	S	.	.	H	α-helix	trans	-91.8	-6.5	177.9	-68	-177.7	165.6	-166.9	0	113.8	W486 E490 P526 S597 W598 S599	W486-K601 HydrophobicContact CH2-CD 4.22Å; W486-K601 HydrophobicContact CZ2-CD 4.16Å; E490-K601 IonicContact OE1-NZ 3.66Å; E490-K601 PolarHBondContact OE1-NZ 2.84Å; P526-K601 HydrophobicContact CB-CB 4.22Å; P526-K601 HydrophobicContact CG-CB 3.78Å; P526-K601 WeakPolarHBondContact CG-O 3.44Å; S597-K601 PolarHBondContact O-N 3.3Å; W598-K601 HydrophobicContact CE3-CB 4.35Å; W598-K601 HydrophobicContact CE3-CD 3.74Å; W598-K601 HydrophobicContact CZ3-CD 3.72Å; W598-K601 CarbonylContact O-C 3.57Å; W598-K601 WeakPolarHBondContact O-CA 3.34Å; W598-K601 WeakPolarHBondContact O-CB 3.47Å; W598-K601 PolarHBondContact O-N 3.29Å; S599-K601 VanDerWaalsContact C-N 3.25Å; S599-K601 PolarHBondContact O-N 2.97Å
602	L	91	Very high	90.6	Very high	66 Å²	66	91 Å²	91	35%	0.346	47%	0.472	S	S	.	.	S	Bend	trans	-59.9	142.7	177.6	-77.3	167.7	0	0	0	110.7	P526 Q527 I530 W598 S599	P526-L602 HydrophobicContact CB-CD2 3.92Å; P526-L602 HydrophobicContact CB-CG 4.17Å; Q527-L602 HydrophobicContact CB-CD2 3.95Å; I530-L602 HydrophobicContact CD1-CD1 4.21Å; W598-L602 PolarHBondContact O-N 3.19Å; S599-L602 PolarHBondContact O-N 3.36Å
603	P	84.5	Confident	90.1	Very high	79 Å²	79	89.4 Å²	89.4	51%	0.513	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-59.1	146.2	171.6	25.3	-32.2	0	0	0	109.8	V524 K605	V524-P603 HydrophobicContact CG1-CG 4.19Å; P603-K605 PolarHBondContact O-N 3.3Å
604	P	79.4	Confident	89.5	Confident	118 Å²	118	89.6 Å²	89.6	77%	0.766	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-55.8	134.6	177.8	21.8	-31.1	0	0	0	109.9	T606	P604-T606 PolarHBondContact O-N 3.4Å
605	K	73.9	Confident	88.7	Confident	215 Å²	215	97.1 Å²	97.1	94%	0.935	52%	0.515	S	S	*	.			trans	-61	109.6	173.1	-68.9	-176.4	179.3	179.7	0	108	P603	P603-K605 PolarHBondContact O-N 3.3Å
606	T	54.1	Low	87.8	Confident	207 Å²	207	101.9 Å²	101.9	100%	1.27	54%	0.544	S	S	*	.			trans	-71.5	0	171.6	51.7	0	0	0	0	111.6	P604	P604-T606 PolarHBondContact O-N 3.4Å

Retrieved 606 of 606 residues in 272.5 ms (Link to these results)

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