A0A5K4F4E0_SCHMA Loading...

BTB domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F4E0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 565 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	40.8	Very low	35.1	Very low	234 Å²	234	172.4 Å²	172.4	100%	1.153	84%	0.835	S	S	*	*				0	89.7	0	-75.1	171.2	163.9	0	0	107.4
2	N	39.2	Very low	34.9	Very low	166 Å²	166	169.8 Å²	169.8	89%	0.888	83%	0.829	S	S	*	*			trans	-115.4	105.6	174.6	-91.7	0.2	0	0	0	108
3	T	37	Very low	34.6	Very low	130 Å²	130	171.2 Å²	171.2	80%	0.798	83%	0.832	S	S	*	*			trans	-76.4	117.1	-178.4	-32.7	0	0	0	0	108.8
4	V	35.8	Very low	34.4	Very low	125 Å²	125	170.9 Å²	170.9	76%	0.758	84%	0.835	S	S	*	*			trans	-84	113.3	175.4	175.6	0	0	0	0	108.1	H6	V4-H6 PolarHBondContact O-N 3.37Å
5	H	35.3	Very low	34.2	Very low	170 Å²	170	171.4 Å²	171.4	79%	0.787	83%	0.834	S	S	*	*			trans	-73.9	113.6	175.2	-99.1	-87.1	0	0	0	110.4	H7	H5-H7 PolarHBondContact O-N 2.58Å
6	H	34.2	Very low	34	Very low	166 Å²	166	171.8 Å²	171.8	77%	0.769	83%	0.833	S	S	*	*			trans	-77.7	108.8	166.9	-95.8	-71.4	0	0	0	109.8	V4	V4-H6 PolarHBondContact O-N 3.37Å
7	H	33.8	Very low	33.9	Very low	167 Å²	167	170.5 Å²	170.5	77%	0.773	83%	0.832	S	S	*	*			trans	-85.2	113.6	164.9	-98.6	-20.7	0	0	0	110.2	H5 H9	H5-H7 PolarHBondContact O-N 2.58Å; H7-H9 PolarHBondContact O-N 2.88Å
8	H	32.5	Very low	33.6	Very low	181 Å²	181	170.9 Å²	170.9	84%	0.838	83%	0.831	S	S	*	*			trans	-73.8	112.4	166	-92.5	61.2	0	0	0	108.9
9	H	34.2	Very low	33.4	Very low	163 Å²	163	169.6 Å²	169.6	76%	0.755	83%	0.828	S	S	*	*			trans	-88.4	116.7	165.8	-89.2	-79.6	0	0	0	109.4	H7 Y11	H7-H9 PolarHBondContact O-N 2.88Å; H9-Y11 PolarHBondContact O-N 2.84Å
10	H	32.3	Very low	33.2	Very low	177 Å²	177	169.6 Å²	169.6	82%	0.819	83%	0.826	S	S	*	*			trans	-64.9	122.7	170.1	-121	-71.1	0	0	0	109.1
11	Y	31	Very low	33	Very low	217 Å²	217	169.3 Å²	169.3	85%	0.851	82%	0.822	S	S	*	*			trans	-82.3	110.6	169.8	-89.8	-95.2	0	0	0	108.6	H9	H9-Y11 PolarHBondContact O-N 2.84Å
12	D	32.9	Very low	32.4	Very low	142 Å²	142	164.9 Å²	164.9	76%	0.759	80%	0.804	S	S	*	*			trans	-78.7	131.6	170.3	-81.1	-32.4	0	0	0	110.8	L14	D12-L14 PolarHBondContact O-N 3.42Å
13	H	31.2	Very low	32	Very low	188 Å²	188	165.9 Å²	165.9	87%	0.87	80%	0.802	S	S	*	*			trans	-62.9	105.2	174.7	-87.6	-74.1	0	0	0	111
14	L	31.6	Very low	31.7	Very low	167 Å²	167	167.6 Å²	167.6	87%	0.874	80%	0.801	S	S	*	*			trans	-89.1	120.5	165.8	-125.4	83.1	0	0	0	110.1	D12	D12-L14 PolarHBondContact O-N 3.42Å
15	H	32	Very low	31.2	Very low	178 Å²	178	172.2 Å²	172.2	82%	0.824	81%	0.805	S	S	*	*			trans	-60.7	137.4	177.8	-97.5	-97.6	0	0	0	112.4	D17	H15-D17 PolarHBondContact O-N 3.47Å
16	H	30	Very low	30.8	Very low	177 Å²	177	172 Å²	172	82%	0.819	80%	0.804	S	S	*	*			trans	-71	105.3	171.2	-93.4	-64.5	0	0	0	110.6
17	D	32.7	Very low	30.5	Very low	151 Å²	151	172 Å²	172	81%	0.807	80%	0.804	S	S	*	*			trans	-87.4	120.3	163.1	-83.7	-27.7	0	0	0	110.3	H15 L19	H15-D17 PolarHBondContact O-N 3.47Å; D17-L19 PolarHBondContact O-N 3.28Å; D17-L19 VanDerWaalsContact O-N 3.1Å
18	H	28.9	Very low	30.3	Very low	177 Å²	177	172 Å²	172	82%	0.819	80%	0.804	S	S	*	*			trans	-69.3	93.1	175.5	-82.5	-71.6	0	0	0	110.7	H20	H18-H20 PolarHBondContact O-N 2.85Å
19	L	29.4	Very low	30.1	Very low	146 Å²	146	172.4 Å²	172.4	76%	0.764	81%	0.806	S	S	*	*			trans	-87.9	105.8	167.2	-131.3	82.3	0	0	0	110.1	D17 H21	D17-L19 PolarHBondContact O-N 3.28Å; D17-L19 VanDerWaalsContact O-N 3.1Å; L19-H21 PolarHBondContact O-N 3.29Å
20	H	28.8	Very low	29.7	Very low	170 Å²	170	174.4 Å²	174.4	79%	0.787	81%	0.808	S	S	*	*			trans	-63.6	107.8	166.1	-85.6	-100.2	0	0	0	109.5	H18	H18-H20 PolarHBondContact O-N 2.85Å
21	H	29.9	Very low	29.5	Very low	164 Å²	164	171.9 Å²	171.9	76%	0.759	80%	0.801	S	S	*	*			trans	-101.9	105.2	166.1	-108.9	-37.5	0	0	0	109.7	L19 H23	L19-H21 PolarHBondContact O-N 3.29Å; H21-H23 PolarHBondContact O-N 2.99Å
22	D	28.5	Very low	29.4	Very low	141 Å²	141	168 Å²	168	75%	0.754	80%	0.795	S	S	*	*			trans	-63.9	107	170.7	-78.8	-39.7	0	0	0	110.3	H24	D22-H24 PolarHBondContact O-N 3.05Å
23	H	30	Very low	29.5	Very low	186 Å²	186	167.2 Å²	167.2	86%	0.861	79%	0.791	S	S	*	*			trans	-76.8	98.3	169.6	-97.4	-57.5	0	0	0	109.8	H21 R25	H21-H23 PolarHBondContact O-N 2.99Å; H23-R25 PolarHBondContact O-N 3.32Å; H23-R25 VanDerWaalsContact O-N 3.08Å
24	H	30.1	Very low	29.5	Very low	166 Å²	166	163.5 Å²	163.5	77%	0.769	78%	0.777	S	S	*	*			trans	-61.3	108.1	163.1	-86.8	-75.9	0	0	0	110.1	D22 H26	D22-H24 PolarHBondContact O-N 3.05Å; H24-H26 PolarHBondContact O-N 3.45Å; H24-H26 VanDerWaalsContact O-N 3.11Å
25	R	25.9	Very low	29.3	Very low	223 Å²	223	162.2 Å²	162.2	84%	0.842	77%	0.771	S	S	*	*			trans	-61.2	102	168.6	-91.2	177.3	165.9	178.6	-3.6	110	H23 H27	H23-R25 PolarHBondContact O-N 3.32Å; H23-R25 VanDerWaalsContact O-N 3.08Å; R25-H27 PolarHBondContact O-N 3.44Å
26	H	28.1	Very low	29.2	Very low	164 Å²	164	160.2 Å²	160.2	76%	0.759	77%	0.766	S	S	*	*			trans	-80.9	106.2	160.4	-85.8	-80.8	0	0	0	109.2	H24 H28	H24-H26 PolarHBondContact O-N 3.45Å; H24-H26 VanDerWaalsContact O-N 3.11Å; H26-H28 PolarHBondContact O-N 2.8Å
27	H	27.1	Very low	29.3	Very low	168 Å²	168	160.3 Å²	160.3	78%	0.778	76%	0.764	S	S	*	*			trans	-64.6	94	166.9	-87.9	-81.7	0	0	0	109.3	R25 Q29	R25-H27 PolarHBondContact O-N 3.44Å; H27-Q29 PolarHBondContact O-N 3.39Å
28	H	28.5	Very low	29	Very low	166 Å²	166	161.5 Å²	161.5	77%	0.769	76%	0.758	S	S	*	*			trans	-82.9	101.7	160.9	-85.9	-71.7	0	0	0	108.3	H26 Y30	H26-H28 PolarHBondContact O-N 2.8Å; H28-Y30 PolarHBondContact O-N 2.83Å; H28-Y30 VanDerWaalsContact O-N 3.09Å
29	Q	28.6	Very low	29	Very low	189 Å²	189	157.1 Å²	157.1	88%	0.883	75%	0.748	S	S	*	*			trans	-63	102.6	168.2	-119.4	159.5	-32.5	0	0	108.1	H27 N31	H27-Q29 PolarHBondContact O-N 3.39Å; Q29-N31 PolarHBondContact O-N 3.44Å
30	Y	26	Very low	28.8	Very low	206 Å²	206	157 Å²	157	81%	0.808	75%	0.748	S	S	*	*			trans	-68.7	114	169.8	-115.7	-95.2	0	0	0	107.9	H28	H28-Y30 PolarHBondContact O-N 2.83Å; H28-Y30 VanDerWaalsContact O-N 3.09Å
31	N	27.8	Very low	28.6	Very low	123 Å²	123	154.7 Å²	154.7	66%	0.658	74%	0.74	S	S	*	*			trans	-78.2	124.9	176.5	-133.3	11.5	0	0	0	108.2	Q29 D33	Q29-N31 PolarHBondContact O-N 3.44Å; N31-D33 PolarHBondContact O-N 2.92Å
32	N	29.5	Very low	28.4	Very low	135 Å²	135	155.3 Å²	155.3	72%	0.722	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-66.8	0.1	-171.6	-85.8	-25.1	0	0	0	115.4	D34	N32-D34 PolarHBondContact O-N 2.96Å
33	D	34.3	Very low	28.2	Very low	126 Å²	126	155.1 Å²	155.1	67%	0.674	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-79	-17.1	-173.9	-67.6	-29	0	0	0	113.8	N31	N31-D33 PolarHBondContact O-N 2.92Å
34	D	31.4	Very low	28	Very low	111 Å²	111	151 Å²	151	59%	0.594	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-79.7	-14.8	-179.2	-76.2	-33.9	0	0	0	113.9	N32 N36 K37	N32-D34 PolarHBondContact O-N 2.96Å; D34-N36 VanDerWaalsContact C-N 3.31Å; D34-N36 PolarHBondContact O-N 3.43Å; D34-K37 PolarHBondContact O-N 3.47Å
35	L	28.9	Very low	27.8	Very low	140 Å²	140	152.4 Å²	152.4	73%	0.733	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-69.9	-26.4	179.2	-113	88.1	0	0	0	113.2	K37	L35-K37 VanDerWaalsContact C-N 3.3Å; L35-K37 PolarHBondContact O-N 2.95Å
36	N	30	Very low	27.8	Very low	136 Å²	136	145.8 Å²	145.8	73%	0.727	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-81.2	-4.8	-177.1	-81.2	-18.1	0	0	0	114.2	D34	D34-N36 VanDerWaalsContact C-N 3.31Å; D34-N36 PolarHBondContact O-N 3.43Å
37	K	30.4	Very low	27.7	Very low	179 Å²	179	145.8 Å²	145.8	78%	0.778	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-89.5	-16.5	178	-121.1	174.7	-173.6	169.2	0	114	D34 L35	D34-K37 PolarHBondContact O-N 3.47Å; L35-K37 VanDerWaalsContact C-N 3.3Å; L35-K37 PolarHBondContact O-N 2.95Å
38	Y	26.7	Very low	27.8	Very low	175 Å²	175	144 Å²	144	69%	0.686	72%	0.715	S	S	*	*	S	Bend	trans	-96.8	0.8	-176.6	-74	-83.7	0	0	0	114.2	N40 I41	Y38-N40 VanDerWaalsContact C-N 3.25Å; Y38-N40 PolarHBondContact O-N 3.03Å; Y38-I41 HydrophobicContact CD1-CD1 4.26Å
39	S	28.8	Very low	27.9	Very low	86 Å²	86	142.3 Å²	142.3	60%	0.601	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-0.4	-177.2	64.6	0	0	0	0	115.4
40	N	25.6	Very low	28	Very low	144 Å²	144	140.3 Å²	140.3	77%	0.77	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	24	-175.3	-73.2	-17.9	0	0	0	114.5	Y38 H42	Y38-N40 VanDerWaalsContact C-N 3.25Å; Y38-N40 PolarHBondContact O-N 3.03Å; N40-H42 PolarHBondContact O-N 3.38Å
41	I	25.3	Very low	28.2	Very low	120 Å²	120	137 Å²	137	62%	0.615	70%	0.702	S	S	*	*			trans	-86.8	98.7	170	-60.1	175	0	0	0	108	Y38 H43	Y38-I41 HydrophobicContact CD1-CD1 4.26Å; I41-H43 PolarHBondContact O-N 3.05Å; I41-H43 VanDerWaalsContact O-N 3.07Å
42	H	24.9	Very low	28.3	Very low	178 Å²	178	135.3 Å²	135.3	82%	0.824	70%	0.698	S	S	*	*			trans	-59.9	105.9	166.9	-96.1	-89.6	0	0	0	109.1	N40	N40-H42 PolarHBondContact O-N 3.38Å
43	H	24.9	Very low	28.7	Very low	137 Å²	137	138.4 Å²	138.4	63%	0.634	71%	0.705	S	S	*	*			trans	-69.2	128.2	165.2	-102.6	-86.1	0	0	0	109	I41 F45	I41-H43 PolarHBondContact O-N 3.05Å; I41-H43 VanDerWaalsContact O-N 3.07Å; H43-F45 PolarHBondContact O-N 3.44Å; H43-F45 VanDerWaalsContact O-N 3.08Å
44	P	25.5	Very low	28.6	Very low	100 Å²	100	135.6 Å²	135.6	65%	0.649	70%	0.695	S	S	*	*	S	Bend	trans	-74.4	8.3	178.8	14.2	-7.7	0	0	0	114.3
45	F	26.2	Very low	28.7	Very low	194 Å²	194	135.6 Å²	135.6	85%	0.851	70%	0.695	S	S	*	*			trans	-116	65	172.7	-70.9	-79.9	0	0	0	109.8	H43	H43-F45 PolarHBondContact O-N 3.44Å; H43-F45 VanDerWaalsContact O-N 3.08Å
46	S	25.9	Very low	29.1	Very low	85 Å²	85	137.5 Å²	137.5	59%	0.594	69%	0.694	S	S	*	*			trans	-130.2	68.6	156.7	43.2	0	0	0	0	106.3	D48	S46-D48 PolarHBondContact O-N 3.02Å
47	H	25.4	Very low	29.5	Very low	164 Å²	164	132.7 Å²	132.7	76%	0.759	67%	0.668	S	S	*	*			trans	-79.8	104.6	162.5	-131	-60.5	0	0	0	105.6	N49	H47-N49 PolarHBondContact O-N 3.37Å
48	D	29.5	Very low	29.8	Very low	129 Å²	129	128.3 Å²	128.3	69%	0.69	65%	0.65	S	S	*	*			trans	-57.5	83.1	168.9	-69.5	-40.2	0	0	0	108.7	S46 D50	S46-D48 PolarHBondContact O-N 3.02Å; D48-D50 PolarHBondContact O-N 2.92Å
49	N	30.1	Very low	30.4	Very low	132 Å²	132	123.1 Å²	123.1	71%	0.706	64%	0.64	S	S	*	*			trans	-82.1	87.8	156.1	-80.7	-20.4	0	0	0	105.8	H47 I51	H47-N49 PolarHBondContact O-N 3.37Å; N49-I51 PolarHBondContact O-N 3.49Å
50	D	30.7	Very low	30.9	Very low	147 Å²	147	120.2 Å²	120.2	79%	0.786	62%	0.619	S	S	*	*			trans	-60.2	69.5	166	-79	-38.3	0	0	0	110	D48 P52	D48-D50 PolarHBondContact O-N 2.92Å; D50-P52 WeakPolarHBondContact O-CD 3.26Å
51	I	30.4	Very low	31.5	Very low	136 Å²	136	115.8 Å²	115.8	70%	0.697	60%	0.595	S	S	*	*			trans	-88.6	114.9	161.7	-61.2	172.5	0	0	0	105.4	N49 K53	N49-I51 PolarHBondContact O-N 3.49Å; I51-K53 PolarHBondContact O-N 3.09Å
52	P	30.4	Very low	32.2	Very low	88 Å²	88	115.4 Å²	115.4	57%	0.571	59%	0.594	S	S	*	*			trans	-59.6	117.9	-175.2	-19.9	30	0	0	0	110	D50 S54	D50-P52 WeakPolarHBondContact O-CD 3.26Å; P52-S54 PolarHBondContact O-N 3.3Å
53	K	36.7	Very low	32.8	Very low	200 Å²	200	110.3 Å²	110.3	87%	0.87	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	4.6	174.1	-72.2	-174.2	172.8	-172.5	0	114.7	I51	I51-K53 PolarHBondContact O-N 3.09Å
54	S	33.2	Very low	33.5	Very low	66 Å²	66	105 Å²	105	46%	0.462	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.8	-14	-166.6	156.6	0	0	0	0	115.3	P52	P52-S54 PolarHBondContact O-N 3.3Å
55	N	33.2	Very low	34.1	Very low	111 Å²	111	102.5 Å²	102.5	59%	0.594	54%	0.537	S	S	*	.	H	α-helix	trans	-87.6	-24.7	-168.8	-76.8	-14.5	0	0	0	115.7
56	Y	37	Very low	34.4	Very low	181 Å²	181	95.7 Å²	95.7	71%	0.71	52%	0.521	S	S	*	.	H	α-helix	trans	-79.6	-32.5	-177.2	-105.7	-86	0	0	0	113.7	Q58 S59 S60	Y56-Q58 VanDerWaalsContact C-N 3.28Å; Y56-Q58 PolarHBondContact O-N 2.81Å; Y56-S59 PolarHBondContact O-OG 3.12Å; Y56-S59 VanDerWaalsContact O-OG 3.06Å; Y56-S60 PolarHBondContact O-N 3.37Å; Y56-S60 PolarHBondContact O-OG 2.95Å
57	I	38.4	Very low	34.7	Very low	35 Å²	35	98.1 Å²	98.1	18%	0.179	53%	0.527	C	S	.	.	H	α-helix	trans	-67.8	-34.6	176	-59.4	-179.6	0	0	0	110	S59 S60 L61 L147	I57-S59 PolarHBondContact O-N 3.19Å; I57-S60 WeakPolarHBondContact CA-OG 3.42Å; I57-S60 PolarHBondContact O-N 2.86Å; I57-S60 PolarHBondContact O-OG 3.49Å; I57-L61 HydrophobicContact CG2-CD1 3.44Å; I57-L61 VanDerWaalsContact CG2-CD1 3.44Å; I57-L61 HydrophobicContact CG2-CG 3.73Å; I57-L61 WeakPolarHBondContact O-CB 3.31Å; I57-L61 WeakPolarHBondContact O-CG 3.24Å; I57-L61 PolarHBondContact O-N 3.19Å; I57-L147 HydrophobicContact CD1-CD1 3.6Å; I57-L147 HydrophobicContact CD1-CD2 3.94Å; I57-L147 HydrophobicContact CD1-CG 4.36Å
58	Q	36.9	Very low	34.8	Very low	87 Å²	87	99.2 Å²	99.2	41%	0.407	53%	0.526	S	S	.	.	H	α-helix	trans	-68.8	-36.8	-177.2	-152	141.7	-9.7	0	0	112.6	Y56 L62 I88	Y56-Q58 VanDerWaalsContact C-N 3.28Å; Y56-Q58 PolarHBondContact O-N 2.81Å; Q58-L62 WeakPolarHBondContact O-CB 3.47Å; Q58-L62 WeakPolarHBondContact O-CD1 3.21Å; Q58-L62 VanDerWaalsContact O-CG 3.31Å; Q58-L62 WeakPolarHBondContact O-CG 3.41Å; Q58-L62 PolarHBondContact O-N 2.79Å; Q58-I88 VanDerWaalsContact NE2-CD1 3.33Å
59	S	39.2	Very low	34.8	Very low	66 Å²	66	99.1 Å²	99.1	46%	0.462	52%	0.524	S	S	.	.	H	α-helix	trans	-74.2	-36.3	176.4	59.5	0	0	0	0	113	Y56 I57 T63	Y56-S59 PolarHBondContact O-OG 3.12Å; Y56-S59 VanDerWaalsContact O-OG 3.06Å; I57-S59 PolarHBondContact O-N 3.19Å; S59-T63 PolarHBondContact O-N 3.26Å; S59-T63 PolarHBondContact O-OG1 3.08Å
60	S	39.1	Very low	34.6	Very low	25 Å²	25	102.3 Å²	102.3	18%	0.175	53%	0.532	C	S	.	.	H	α-helix	trans	-77.8	-31.8	178	47.3	0	0	0	0	113	Y56 I57 T63 L64	Y56-S60 PolarHBondContact O-N 3.37Å; Y56-S60 PolarHBondContact O-OG 2.95Å; I57-S60 WeakPolarHBondContact CA-OG 3.42Å; I57-S60 PolarHBondContact O-N 2.86Å; I57-S60 PolarHBondContact O-OG 3.49Å; S60-T63 VanDerWaalsContact CA-OG1 3.27Å; S60-T63 WeakPolarHBondContact CA-OG1 3.31Å; S60-T63 PolarHBondContact O-N 3.4Å; S60-T63 PolarHBondContact O-OG1 3.22Å; S60-L64 PolarHBondContact O-N 3.44Å; S60-L64 VanDerWaalsContact O-N 3.07Å
61	L	39.6	Very low	34.4	Very low	51 Å²	51	103.3 Å²	103.3	27%	0.267	53%	0.531	S	S	.	.	H	α-helix	trans	-65.9	-42.8	170.9	-80.3	176.4	0	0	0	112.4	I57 T63 L64 S65 S96	I57-L61 HydrophobicContact CG2-CD1 3.44Å; I57-L61 VanDerWaalsContact CG2-CD1 3.44Å; I57-L61 HydrophobicContact CG2-CG 3.73Å; I57-L61 WeakPolarHBondContact O-CB 3.31Å; I57-L61 WeakPolarHBondContact O-CG 3.24Å; I57-L61 PolarHBondContact O-N 3.19Å; L61-T63 VanDerWaalsContact C-N 3.26Å; L61-T63 PolarHBondContact O-N 2.81Å; L61-L64 PolarHBondContact O-N 3.39Å; L61-L64 VanDerWaalsContact O-N 3.16Å; L61-S65 PolarHBondContact O-N 3.32Å; L61-S96 WeakPolarHBondContact CD2-OG 3.24Å
62	L	38.6	Very low	34.2	Very low	112 Å²	112	101.5 Å²	101.5	59%	0.586	53%	0.529	S	S	*	.	H	α-helix	trans	-60.3	-39.3	175.9	-80.4	164.2	0	0	0	111.1	Q58 S65 G66	Q58-L62 WeakPolarHBondContact O-CB 3.47Å; Q58-L62 WeakPolarHBondContact O-CD1 3.21Å; Q58-L62 VanDerWaalsContact O-CG 3.31Å; Q58-L62 WeakPolarHBondContact O-CG 3.41Å; Q58-L62 PolarHBondContact O-N 2.79Å; L62-S65 PolarHBondContact O-N 2.69Å; L62-S65 PolarHBondContact O-OG 3.45Å; L62-G66 PolarHBondContact O-N 3.16Å
63	T	38.9	Very low	33.9	Very low	71 Å²	71	104.8 Å²	104.8	44%	0.436	54%	0.541	S	S	.	.	H	α-helix	trans	-70.1	-30.6	176.1	26	0	0	0	0	113.4	S59 S60 L61 G66 N67	S59-T63 PolarHBondContact O-N 3.26Å; S59-T63 PolarHBondContact O-OG1 3.08Å; S60-T63 VanDerWaalsContact CA-OG1 3.27Å; S60-T63 WeakPolarHBondContact CA-OG1 3.31Å; S60-T63 PolarHBondContact O-N 3.4Å; S60-T63 PolarHBondContact O-OG1 3.22Å; L61-T63 VanDerWaalsContact C-N 3.26Å; L61-T63 PolarHBondContact O-N 2.81Å; T63-G66 PolarHBondContact O-N 3.07Å; T63-N67 PolarHBondContact O-N 3.38Å
64	L	38.2	Very low	33.3	Very low	24 Å²	24	102 Å²	102	13%	0.126	54%	0.541	C	S	.	.	H	α-helix	trans	-70.1	-37.9	172.9	-130	78.4	0	0	0	112.4	S60 L61 G66 T99 P155 I156	S60-L64 PolarHBondContact O-N 3.44Å; S60-L64 VanDerWaalsContact O-N 3.07Å; L61-L64 PolarHBondContact O-N 3.39Å; L61-L64 VanDerWaalsContact O-N 3.16Å; L64-G66 VanDerWaalsContact C-N 3.32Å; L64-T99 HydrophobicContact CD2-CG2 3.79Å; L64-P155 HydrophobicContact CD1-CB 4.32Å; L64-P155 HydrophobicContact CD1-CG 4.34Å; L64-P155 HydrophobicContact CD2-CB 4.31Å; L64-I156 HydrophobicContact CD1-CG1 3.75Å
65	S	39.4	Very low	33	Very low	49 Å²	49	103.9 Å²	103.9	34%	0.343	55%	0.554	S	S	.	*	H	α-helix	trans	-65.8	-37.1	174.1	87.8	0	0	0	0	111.6	L61 L62 N67 I69	L61-S65 PolarHBondContact O-N 3.32Å; L62-S65 PolarHBondContact O-N 2.69Å; L62-S65 PolarHBondContact O-OG 3.45Å; S65-N67 VanDerWaalsContact C-N 3.35Å; S65-N67 PolarHBondContact O-N 2.75Å; S65-I69 WeakPolarHBondContact O-CD1 3.14Å; S65-I69 VanDerWaalsContact O-CG1 3.31Å; S65-I69 WeakPolarHBondContact O-CG1 3.14Å; S65-I69 PolarHBondContact O-N 3.32Å
66	G	32	Very low	32.6	Very low	51 Å²	51	105.7 Å²	105.7	53%	0.526	56%	0.563	S	S	.	*	H	α-helix	trans	-67.1	-30.4	-177.6	0	0	0	0	0	114.5	L62 T63 L64	L62-G66 PolarHBondContact O-N 3.16Å; T63-G66 PolarHBondContact O-N 3.07Å; L64-G66 VanDerWaalsContact C-N 3.32Å
67	N	32	Very low	32.1	Very low	135 Å²	135	103.9 Å²	103.9	72%	0.722	56%	0.564	S	S	*	*	H	α-helix	trans	-90.4	-15.3	-175	-80	-19.2	0	0	0	114.8	T63 S65	T63-N67 PolarHBondContact O-N 3.38Å; S65-N67 VanDerWaalsContact C-N 3.35Å; S65-N67 PolarHBondContact O-N 2.75Å
68	Y	27.4	Very low	31.5	Very low	188 Å²	188	108.9 Å²	108.9	74%	0.737	59%	0.591	S	S	*	*	H	α-helix	trans	-105.8	-7.5	179.3	-77.7	-80.4	0	0	0	114.8	K70	Y68-K70 PolarHBondContact O-N 2.81Å
69	I	29.9	Very low	31.3	Very low	127 Å²	127	111.9 Å²	111.9	65%	0.651	61%	0.61	S	S	*	*			trans	-88.1	67.9	171.8	-52.6	166	0	0	0	109.1	S65	S65-I69 WeakPolarHBondContact O-CD1 3.14Å; S65-I69 VanDerWaalsContact O-CG1 3.31Å; S65-I69 WeakPolarHBondContact O-CG1 3.14Å; S65-I69 PolarHBondContact O-N 3.32Å
70	K	26.3	Very low	30.8	Very low	198 Å²	198	116 Å²	116	86%	0.861	63%	0.627	S	S	*	*			trans	-109	59.5	152.7	-82.3	-173.6	178.6	177.2	0	108.4	Y68	Y68-K70 PolarHBondContact O-N 2.81Å
71	H	25.3	Very low	30.2	Very low	168 Å²	168	120.8 Å²	120.8	78%	0.778	66%	0.657	S	S	*	*			trans	-98.6	118.1	156.4	-104.2	-76.4	0	0	0	108.1
72	P	25.8	Very low	29.6	Very low	99 Å²	99	126.3 Å²	126.3	64%	0.643	69%	0.686	S	S	*	*			trans	-69.9	144.1	173.2	29.8	-30.1	0	0	0	108.4
73	N	24.8	Very low	28.9	Very low	156 Å²	156	126 Å²	126	83%	0.834	69%	0.692	S	S	*	*			trans	89.9	75.5	173.3	-46.8	-22.7	0	0	0	116
74	T	24.7	Very low	28.4	Very low	141 Å²	141	130.3 Å²	130.3	87%	0.865	71%	0.712	S	S	*	*			trans	-148.6	123.8	139.5	20.3	0	0	0	0	110
75	S	26.5	Very low	28.1	Very low	106 Å²	106	135.5 Å²	135.5	74%	0.741	75%	0.745	S	S	*	*			trans	-63.5	133.2	-178.8	43.2	0	0	0	0	112.6	I77	S75-I77 PolarHBondContact O-N 3.02Å
76	I	24.4	Very low	27.8	Very low	150 Å²	150	141.7 Å²	141.7	77%	0.769	77%	0.769	S	S	*	*			trans	-56.2	119.2	170.7	-62.2	155.5	0	0	0	109.2
77	I	27.6	Very low	28	Very low	143 Å²	143	145.9 Å²	145.9	73%	0.733	78%	0.779	S	S	*	*			trans	-116.1	105.1	160.5	-65.3	174.2	0	0	0	106	S75	S75-I77 PolarHBondContact O-N 3.02Å
78	N	25.6	Very low	28.2	Very low	139 Å²	139	144.2 Å²	144.2	74%	0.743	77%	0.769	S	S	*	*			trans	-62	126.1	169.8	-72.2	-24.7	0	0	0	108.9
79	N	31.8	Very low	28.9	Very low	150 Å²	150	138.1 Å²	138.1	80%	0.802	75%	0.752	S	S	*	*			trans	-148.8	143.5	156.7	-83.5	-29.8	0	0	0	108.8
80	D	28.1	Very low	29.5	Very low	154 Å²	154	138.7 Å²	138.7	82%	0.824	76%	0.756	S	S	*	*			trans	-59.5	153.1	-156.3	-71.5	-54	0	0	0	118.2	L82	D80-L82 PolarHBondContact O-N 3.39Å
81	P	28.2	Very low	30.3	Very low	124 Å²	124	136.8 Å²	136.8	81%	0.805	75%	0.75	S	S	*	*			trans	-92.9	91.8	177.8	35	-28.2	0	0	0	111.2
82	L	25.7	Very low	31.3	Very low	167 Å²	167	134.1 Å²	134.1	87%	0.874	74%	0.738	S	S	*	*			trans	-149.3	116.1	163	-158.6	70.1	0	0	0	110.6	D80	D80-L82 PolarHBondContact O-N 3.39Å
83	C	25	Very low	32.5	Very low	107 Å²	107	132.4 Å²	132.4	72%	0.723	73%	0.725	S	S	*	*			trans	66	89.9	163.7	-155	0	0	0	0	116.5
84	N	28.5	Very low	33.7	Very low	161 Å²	161	128.4 Å²	128.4	86%	0.861	71%	0.707	S	S	*	*			trans	-159.2	74.3	151.5	-98.7	-23.1	0	0	0	110.2	Q86	N84-Q86 VanDerWaalsContact C-N 3.29Å
85	T	30.4	Very low	34.9	Very low	133 Å²	133	127.3 Å²	127.3	82%	0.816	70%	0.695	S	S	*	*			trans	-88.7	14	176.6	-13	0	0	0	0	113.3
86	Q	34.9	Very low	36.5	Very low	178 Å²	178	123 Å²	123	83%	0.832	67%	0.665	S	S	*	*	S	Bend	trans	-116	-5.8	-168.3	-76.8	-166.2	-25.8	0	0	117	N84	N84-Q86 VanDerWaalsContact C-N 3.29Å
87	N	34.7	Very low	38.1	Very low	140 Å²	140	117.9 Å²	117.9	75%	0.749	64%	0.637	S	S	*	*			trans	-131.9	67	176.2	-75.5	-21.8	0	0	0	109.6	T89	N87-T89 VanDerWaalsContact O-CG2 3.31Å; N87-T89 WeakPolarHBondContact O-CG2 3.49Å; N87-T89 PolarHBondContact O-N 2.88Å
88	I	37	Very low	39.6	Very low	100 Å²	100	115.6 Å²	115.6	51%	0.513	63%	0.627	S	S	.	*			trans	-60	98.8	156.6	-65	169	0	0	0	104.2	Q58 D90	Q58-I88 VanDerWaalsContact NE2-CD1 3.33Å; I88-D90 PolarHBondContact O-N 3.23Å
89	T	41.9	Very low	41.2	Very low	60 Å²	60	111 Å²	111	37%	0.368	60%	0.603	S	S	.	*			trans	-60.3	136.5	-160	55.6	0	0	0	0	110	N87 Q91 E92 V93	N87-T89 VanDerWaalsContact O-CG2 3.31Å; N87-T89 WeakPolarHBondContact O-CG2 3.49Å; N87-T89 PolarHBondContact O-N 2.88Å; T89-Q91 PolarHBondContact O-N 3Å; T89-E92 PolarHBondContact O-N 3.2Å; T89-E92 PolarHBondContact OG1-N 3.29Å; T89-V93 PolarHBondContact O-N 3.13Å
90	D	41.5	Very low	42.5	Very low	138 Å²	138	104.8 Å²	104.8	74%	0.738	57%	0.57	S	S	*	*	H	α-helix	trans	-46.5	-26.9	167.6	-69	-45.4	0	0	0	111.5	I88 T94	I88-D90 PolarHBondContact O-N 3.23Å; D90-T94 WeakPolarHBondContact O-CB 2.83Å; D90-T94 PolarHBondContact O-N 3.35Å; D90-T94 PolarHBondContact O-OG1 3.38Å
91	Q	43.2	Very low	44	Very low	158 Å²	158	103.8 Å²	103.8	74%	0.738	56%	0.558	S	S	*	*	H	α-helix	trans	-63.2	-46.6	175.8	-121.2	165.9	-17.8	0	0	114.5	T89 T94 L95	T89-Q91 PolarHBondContact O-N 3Å; Q91-T94 PolarHBondContact O-N 3.33Å; Q91-L95 VanDerWaalsContact O-CB 3.26Å; Q91-L95 WeakPolarHBondContact O-CB 3.47Å; Q91-L95 PolarHBondContact O-N 3.33Å
92	E	47.3	Very low	45.3	Very low	112 Å²	112	102.3 Å²	102.3	52%	0.523	54%	0.543	S	S	.	.	H	α-helix	trans	-68.3	-41.9	177.3	-80.5	-175.7	158.6	0	0	111.5	T89 T94 L95 S96	T89-E92 PolarHBondContact O-N 3.2Å; T89-E92 PolarHBondContact OG1-N 3.29Å; E92-T94 VanDerWaalsContact C-N 3.32Å; E92-T94 PolarHBondContact O-N 3.11Å; E92-L95 PolarHBondContact O-N 3.17Å; E92-S96 WeakPolarHBondContact O-CB 3.39Å; E92-S96 PolarHBondContact O-N 2.85Å
93	V	51.1	Low	46.8	Very low	63 Å²	63	96.4 Å²	96.4	38%	0.382	51%	0.512	S	S	.	.	H	α-helix	trans	-60.5	-45.1	174.5	179.6	0	0	0	0	110	T89 F97	T89-V93 PolarHBondContact O-N 3.13Å; V93-F97 WeakPolarHBondContact O-CB 3.44Å; V93-F97 PolarHBondContact O-N 3.24Å
94	T	49.1	Very low	48.4	Very low	73 Å²	73	92.5 Å²	92.5	45%	0.448	48%	0.484	S	S	.	.	H	α-helix	trans	-66.3	-38.5	177.8	-57.9	0	0	0	0	112.2	D90 Q91 E92 F97 N98	D90-T94 WeakPolarHBondContact O-CB 2.83Å; D90-T94 PolarHBondContact O-N 3.35Å; D90-T94 PolarHBondContact O-OG1 3.38Å; Q91-T94 PolarHBondContact O-N 3.33Å; E92-T94 VanDerWaalsContact C-N 3.32Å; E92-T94 PolarHBondContact O-N 3.11Å; T94-F97 PolarHBondContact O-N 2.84Å; T94-N98 PolarHBondContact O-N 2.86Å; T94-N98 PolarHBondContact O-ND2 3.09Å
95	L	51.5	Low	50	Low	117 Å²	117	89.3 Å²	89.3	61%	0.613	47%	0.474	S	S	*	.	H	α-helix	trans	-68.6	-45.3	-179.4	-165.6	76.9	0	0	0	111.3	Q91 E92 F97 T99	Q91-L95 VanDerWaalsContact O-CB 3.26Å; Q91-L95 WeakPolarHBondContact O-CB 3.47Å; Q91-L95 PolarHBondContact O-N 3.33Å; E92-L95 PolarHBondContact O-N 3.17Å; L95-F97 PolarHBondContact O-N 3.16Å; L95-T99 PolarHBondContact O-N 2.9Å; L95-T99 VanDerWaalsContact O-N 3.12Å; L95-T99 PolarHBondContact O-OG1 3.15Å
96	S	58.7	Low	51.7	Low	15 Å²	15	90.2 Å²	90.2	11%	0.105	47%	0.467	C	S	.	.	H	α-helix	trans	-63.5	-35.6	172.2	-170.5	0	0	0	0	111.6	L61 E92 T99 L100	L61-S96 WeakPolarHBondContact CD2-OG 3.24Å; E92-S96 WeakPolarHBondContact O-CB 3.39Å; E92-S96 PolarHBondContact O-N 2.85Å; S96-T99 CarbonylContact O-C 3.57Å; S96-T99 WeakPolarHBondContact O-CA 3.49Å; S96-T99 VanDerWaalsContact O-CB 3.24Å; S96-T99 WeakPolarHBondContact O-CB 3.21Å; S96-T99 PolarHBondContact O-N 2.97Å; S96-L100 WeakPolarHBondContact O-CG 3.37Å; S96-L100 PolarHBondContact O-N 2.65Å
97	F	58.6	Low	53.8	Low	44 Å²	44	83.9 Å²	83.9	19%	0.193	44%	0.442	C	S	.	.	H	α-helix	trans	-68.3	-44.2	178.2	-174.4	-94	0	0	0	114	V93 T94 L95 T99 L100 K101 N141 N142	V93-F97 WeakPolarHBondContact O-CB 3.44Å; V93-F97 PolarHBondContact O-N 3.24Å; T94-F97 PolarHBondContact O-N 2.84Å; L95-F97 PolarHBondContact O-N 3.16Å; F97-T99 PolarHBondContact O-N 2.7Å; F97-L100 HydrophobicContact CD2-CD1 4.4Å; F97-L100 WeakPolarHBondContact O-CB 3.43Å; F97-L100 PolarHBondContact O-N 3.4Å; F97-L100 VanDerWaalsContact O-N 3.09Å; F97-K101 PolarHBondContact O-N 3.33Å; F97-N141 WeakPolarHBondContact CE1-O 3.42Å; F97-N141 WeakPolarHBondContact CE2-O 3.24Å; F97-N141 WeakPolarHBondContact CZ-O 3.46Å; F97-N142 VanDerWaalsContact CE2-CA 3.43Å
98	N	59.1	Low	56.4	Low	95 Å²	95	85.5 Å²	85.5	51%	0.508	44%	0.443	S	S	.	.	H	α-helix	trans	-59.6	-34.8	171.7	-76.7	-31.2	0	0	0	110.8	T94 L102	T94-N98 PolarHBondContact O-N 2.86Å; T94-N98 PolarHBondContact O-ND2 3.09Å; N98-L102 VanDerWaalsContact O-CB 3.24Å; N98-L102 WeakPolarHBondContact O-CB 3.31Å; N98-L102 PolarHBondContact O-N 3.25Å
99	T	59.4	Low	59	Low	42 Å²	42	87.1 Å²	87.1	26%	0.258	44%	0.442	S	S	.	.	H	α-helix	trans	-65.6	-44.6	173.2	-53.2	0	0	0	0	111.2	L64 L95 S96 F97 K101 L102 I103	L64-T99 HydrophobicContact CD2-CG2 3.79Å; L95-T99 PolarHBondContact O-N 2.9Å; L95-T99 VanDerWaalsContact O-N 3.12Å; L95-T99 PolarHBondContact O-OG1 3.15Å; S96-T99 CarbonylContact O-C 3.57Å; S96-T99 WeakPolarHBondContact O-CA 3.49Å; S96-T99 VanDerWaalsContact O-CB 3.24Å; S96-T99 WeakPolarHBondContact O-CB 3.21Å; S96-T99 PolarHBondContact O-N 2.97Å; F97-T99 PolarHBondContact O-N 2.7Å; T99-K101 PolarHBondContact O-N 3.15Å; T99-L102 CarbonylContact O-C 3.59Å; T99-L102 WeakPolarHBondContact O-CB 3.47Å; T99-L102 PolarHBondContact O-N 3.21Å; T99-I103 HydrophobicContact CG2-CD1 3.82Å; T99-I103 HydrophobicContact CG2-CG1 4.37Å; T99-I103 WeakPolarHBondContact O-CB 3.2Å; T99-I103 WeakPolarHBondContact O-CG1 2.76Å; T99-I103 PolarHBondContact O-N 3.19Å
100	L	58.8	Low	61.4	Low	19 Å²	19	84.3 Å²	84.3	10%	0.099	43%	0.425	C	S	.	.	H	α-helix	trans	-58.4	-48.8	175.1	-77.1	166.5	0	0	0	112.5	S96 F97 L102 I103 N104 I143 Y153 P155	S96-L100 WeakPolarHBondContact O-CG 3.37Å; S96-L100 PolarHBondContact O-N 2.65Å; F97-L100 HydrophobicContact CD2-CD1 4.4Å; F97-L100 WeakPolarHBondContact O-CB 3.43Å; F97-L100 PolarHBondContact O-N 3.4Å; F97-L100 VanDerWaalsContact O-N 3.09Å; L100-L102 VanDerWaalsContact C-N 3.29Å; L100-L102 PolarHBondContact O-N 3.45Å; L100-I103 PolarHBondContact O-N 3.43Å; L100-N104 WeakPolarHBondContact O-CB 3.48Å; L100-N104 PolarHBondContact O-N 2.94Å; L100-I143 HydrophobicContact CD1-CD1 4.36Å; L100-Y153 HydrophobicContact CD2-CD1 4.09Å; L100-Y153 HydrophobicContact CD2-CE1 3.12Å; L100-Y153 WeakPolarHBondContact CD2-OH 3.35Å; L100-P155 HydrophobicContact CD2-CB 4.3Å
101	K	58.9	Low	64	Low	134 Å²	134	79.3 Å²	79.3	58%	0.583	40%	0.398	S	S	*	.	H	α-helix	trans	-61.4	-40.3	177.5	-166.4	175.5	-175.9	177.9	0	111.3	F97 T99 S105	F97-K101 PolarHBondContact O-N 3.33Å; T99-K101 PolarHBondContact O-N 3.15Å; K101-S105 VanDerWaalsContact O-CB 3.31Å; K101-S105 WeakPolarHBondContact O-CB 3.31Å; K101-S105 PolarHBondContact O-N 3.46Å
102	L	56	Low	66.6	Low	93 Å²	93	71.8 Å²	71.8	49%	0.487	36%	0.363	S	S	.	.	H	α-helix	trans	-67.5	-36.3	176.3	-169.5	75.1	0	0	0	112.4	N98 T99 L100 S105 K106	N98-L102 VanDerWaalsContact O-CB 3.24Å; N98-L102 WeakPolarHBondContact O-CB 3.31Å; N98-L102 PolarHBondContact O-N 3.25Å; T99-L102 CarbonylContact O-C 3.59Å; T99-L102 WeakPolarHBondContact O-CB 3.47Å; T99-L102 PolarHBondContact O-N 3.21Å; L100-L102 VanDerWaalsContact C-N 3.29Å; L100-L102 PolarHBondContact O-N 3.45Å; L102-S105 PolarHBondContact O-OG 3.43Å; L102-K106 WeakPolarHBondContact O-CD 3.27Å; L102-K106 WeakPolarHBondContact O-CG 3.15Å; L102-K106 PolarHBondContact O-N 3.45Å
103	I	57.5	Low	69	Low	43 Å²	43	67.3 Å²	67.3	22%	0.221	34%	0.343	C	S	.	.	H	α-helix	trans	-68.1	-50.4	175.9	-70.9	164.1	0	0	0	109.6	T99 L100 S105 K106 S107 N158	T99-I103 HydrophobicContact CG2-CD1 3.82Å; T99-I103 HydrophobicContact CG2-CG1 4.37Å; T99-I103 WeakPolarHBondContact O-CB 3.2Å; T99-I103 WeakPolarHBondContact O-CG1 2.76Å; T99-I103 PolarHBondContact O-N 3.19Å; L100-I103 PolarHBondContact O-N 3.43Å; I103-S105 VanDerWaalsContact C-N 3.31Å; I103-S105 PolarHBondContact O-N 3.25Å; I103-K106 PolarHBondContact O-N 3.04Å; I103-K106 VanDerWaalsContact O-N 3.08Å; I103-S107 PolarHBondContact O-N 3.37Å; I103-N158 HydrophobicContact CG2-CB 3.73Å
104	N	58.6	Low	71.2	Confident	25 Å²	25	64.3 Å²	64.3	13%	0.134	32%	0.324	C	S	.	.	H	α-helix	trans	-66.4	-35	-177.3	-142.3	13.7	0	0	0	111.5	L100 K106 W123 Y160	L100-N104 WeakPolarHBondContact O-CB 3.48Å; L100-N104 PolarHBondContact O-N 2.94Å; N104-K106 PolarHBondContact O-N 3.29Å; N104-W123 WeakPolarHBondContact OD1-CZ2 3.19Å; N104-W123 PolarHBondContact OD1-NE1 2.61Å; N104-Y160 VanDerWaalsContact CG-OH 3.29Å; N104-Y160 PolarHBondContact ND2-OH 3.23Å; N104-Y160 VanDerWaalsContact ND2-OH 3.13Å; N104-Y160 PolarHBondContact OD1-OH 3.48Å; N104-Y160 VanDerWaalsContact OD1-OH 3.11Å
105	S	61.2	Low	73.5	Confident	93 Å²	93	62.4 Å²	62.4	65%	0.65	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.2	175.4	88.9	0	0	0	0	113.8	K101 L102 I103	K101-S105 VanDerWaalsContact O-CB 3.31Å; K101-S105 WeakPolarHBondContact O-CB 3.31Å; K101-S105 PolarHBondContact O-N 3.46Å; L102-S105 PolarHBondContact O-OG 3.43Å; I103-S105 VanDerWaalsContact C-N 3.31Å; I103-S105 PolarHBondContact O-N 3.25Å
106	K	66.2	Low	75.5	Confident	153 Å²	153	59.2 Å²	59.2	67%	0.665	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-36.4	-177.9	-78.2	173.7	-179.4	178.6	0	112.6	L102 I103 N104	L102-K106 WeakPolarHBondContact O-CD 3.27Å; L102-K106 WeakPolarHBondContact O-CG 3.15Å; L102-K106 PolarHBondContact O-N 3.45Å; I103-K106 PolarHBondContact O-N 3.04Å; I103-K106 VanDerWaalsContact O-N 3.08Å; N104-K106 PolarHBondContact O-N 3.29Å
107	S	78.9	Confident	77.4	Confident	45 Å²	45	62.6 Å²	62.6	32%	0.315	33%	0.331	S	S	.	.			trans	-83.3	125.3	-178.1	-172.3	0	0	0	0	111.5	I103 R109 W123	I103-S107 PolarHBondContact O-N 3.37Å; S107-R109 WeakPolarHBondContact CB-O 3.01Å; S107-R109 PolarHBondContact O-N 2.7Å; S107-R109 PolarHBondContact OG-N 3.43Å; S107-R109 VanDerWaalsContact OG-N 3.15Å; S107-R109 PolarHBondContact OG-O 3.23Å; S107-W123 VanDerWaalsContact O-CD1 3.28Å
108	K	89.4	Confident	79.2	Confident	174 Å²	174	66.2 Å²	66.2	76%	0.757	35%	0.346	S	S	*	.	S	Bend	trans	-73.5	-14.4	169.3	-66.1	-178.5	179.1	177.6	0	112.8	L122 W123	K108-L122 WeakPolarHBondContact O-CA 3.4Å; K108-W123 PolarHBondContact O-N 3.33Å; K108-W123 VanDerWaalsContact O-N 3.15Å
109	R	92.4	Very high	81	Confident	134 Å²	134	63 Å²	63	51%	0.506	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.1	-173.3	-60.2	174.6	77.7	155.5	5.4	110.5	S107 E120 I121	S107-R109 WeakPolarHBondContact CB-O 3.01Å; S107-R109 PolarHBondContact O-N 2.7Å; S107-R109 PolarHBondContact OG-N 3.43Å; S107-R109 VanDerWaalsContact OG-N 3.15Å; S107-R109 PolarHBondContact OG-O 3.23Å; R109-E120 IonicContact CZ-OE2 2.66Å; R109-E120 IonicContact NE-OE2 2.73Å; R109-E120 PolarHBondContact NE-OE2 2.87Å; R109-E120 IonicContact NH1-OE2 3.96Å; R109-E120 IonicContact NH2-OE2 3.34Å; R109-E120 PolarHBondContact NH2-OE2 3.09Å; R109-I121 CarbonylContact C-O 3.6Å; R109-I121 VanDerWaalsContact CA-O 3.29Å; R109-I121 WeakPolarHBondContact CA-O 3.46Å
110	A	92.6	Very high	82.8	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.008	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	134.8	166.5	0	0	0	0	0	109.7	I112 E120 I121 W123	A110-I112 HydrophobicContact CB-CD1 4.32Å; A110-I112 HydrophobicContact CB-CG1 4.19Å; A110-E120 WeakPolarHBondContact O-CA 3.37Å; A110-I121 HydrophobicContact CB-CG2 4.03Å; A110-I121 PolarHBondContact N-O 2.9Å; A110-I121 PolarHBondContact O-N 3.42Å; A110-I121 VanDerWaalsContact O-N 3.15Å; A110-W123 HydrophobicContact CB-CD2 3.77Å; A110-W123 VanDerWaalsContact CB-CE2 3.5Å; A110-W123 HydrophobicContact CB-CE3 3.86Å; A110-W123 HydrophobicContact CB-CH2 3.48Å; A110-W123 VanDerWaalsContact CB-CH2 3.48Å; A110-W123 HydrophobicContact CB-CZ2 3.37Å; A110-W123 HydrophobicContact CB-CZ3 3.72Å
111	L	95.6	Very high	84.5	Confident	33 Å²	33	64.6 Å²	64.6	17%	0.173	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	111.1	168.9	179.8	61.3	0	0	0	108.6	K118 E120 E159 Y160	L111-K118 HydrophobicContact CD1-CB 4.09Å; L111-K118 HydrophobicContact CD1-CD 4.4Å; L111-E120 HydrophobicContact CD1-CG 3.78Å; L111-E159 HydrophobicContact CD2-CB 3.9Å; L111-E159 HydrophobicContact CD2-CG 4.09Å; L111-E159 HydrophobicContact CG-CB 4.18Å; L111-E159 HydrophobicContact CG-CG 4.06Å; L111-E159 WeakPolarHBondContact O-CA 3.3Å; L111-Y160 WeakPolarHBondContact O-CD2 3.48Å; L111-Y160 PolarHBondContact O-N 3.04Å
112	I	96.9	Very high	86.3	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	113.7	-173.1	-56.2	168.3	0	0	0	108.1	A110 V114 H119 I121 L134 Y160 F162 F169	A110-I112 HydrophobicContact CB-CD1 4.32Å; A110-I112 HydrophobicContact CB-CG1 4.19Å; I112-V114 HydrophobicContact CG2-CG2 3.77Å; I112-H119 PolarHBondContact N-O 3.06Å; I112-H119 WeakPolarHBondContact O-CA 3.46Å; I112-H119 WeakPolarHBondContact O-CB 3.5Å; I112-H119 PolarHBondContact O-N 2.94Å; I112-I121 HydrophobicContact CD1-CG2 3.8Å; I112-L134 HydrophobicContact CD1-CD1 3.74Å; I112-L134 HydrophobicContact CD1-CD2 3.75Å; I112-L134 HydrophobicContact CD1-CG 4.36Å; I112-Y160 CarbonylContact C-O 3.59Å; I112-F162 HydrophobicContact CG2-CD2 3.81Å; I112-F162 HydrophobicContact CG2-CE2 3.83Å; I112-F169 HydrophobicContact CD1-CZ 4.22Å; I112-F169 HydrophobicContact CG2-CE1 4.16Å; I112-F169 HydrophobicContact CG2-CZ 3.87Å
113	N	97.8	Very high	88	Confident	17 Å²	17	57.6 Å²	57.6	9%	0.091	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	118.3	174.3	-176.6	-15.9	0	0	0	109.6	G116 I117 K118 E159 Y160 Y161 F162	N113-G116 WeakPolarHBondContact OD1-CA 3.29Å; N113-G116 PolarHBondContact OD1-N 3.28Å; N113-I117 WeakPolarHBondContact CA-O 3.48Å; N113-I117 PolarHBondContact OD1-N 3.43Å; N113-K118 HydrophobicContact CB-CG 4.45Å; N113-E159 HydrophobicContact CB-CG 3.92Å; N113-E159 WeakPolarHBondContact CB-OE1 3.47Å; N113-E159 PolarHBondContact ND2-OE1 2.9Å; N113-Y160 PolarHBondContact N-O 3.35Å; N113-Y161 HydrophobicContact CB-CD2 4.04Å; N113-Y161 CarbonylContact O-C 3.59Å; N113-Y161 WeakPolarHBondContact O-CA 3.36Å; N113-F162 PolarHBondContact O-N 3.26Å
114	V	98.3	Very high	89.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	115.7	178.5	-174.9	0	0	0	0	108.3	I112 G116 I117 F162 R164 P166 F169 W199	I112-V114 HydrophobicContact CG2-CG2 3.77Å; V114-G116 PolarHBondContact O-N 3.22Å; V114-I117 PolarHBondContact N-O 3.25Å; V114-I117 PolarHBondContact O-N 2.99Å; V114-F162 CarbonylContact C-O 3.5Å; V114-F162 WeakPolarHBondContact CA-O 3.35Å; V114-F162 HydrophobicContact CG2-CB 4.34Å; V114-R164 HydrophobicContact CG1-CB 3.87Å; V114-R164 WeakPolarHBondContact CG1-O 3.38Å; V114-P166 HydrophobicContact CB-CB 4.35Å; V114-P166 HydrophobicContact CG1-CB 4.33Å; V114-P166 WeakPolarHBondContact O-CB 3.44Å; V114-F169 HydrophobicContact CB-CB 4.4Å; V114-F169 HydrophobicContact CB-CD1 4.16Å; V114-F169 HydrophobicContact CB-CG 4.29Å; V114-F169 HydrophobicContact CG1-CB 3.96Å; V114-F169 HydrophobicContact CG1-CG 4.25Å; V114-F169 HydrophobicContact CG2-CB 4.31Å; V114-F169 HydrophobicContact CG2-CD1 3.49Å; V114-F169 VanDerWaalsContact CG2-CD1 3.49Å; V114-F169 HydrophobicContact CG2-CD2 4.14Å; V114-F169 HydrophobicContact CG2-CE1 3.69Å; V114-F169 HydrophobicContact CG2-CE2 4.3Å; V114-F169 HydrophobicContact CG2-CG 3.71Å; V114-F169 HydrophobicContact CG2-CZ 4.09Å; V114-W199 HydrophobicContact CG1-CZ2 4.43Å; V114-W199 HydrophobicContact CG2-CH2 4.26Å; V114-W199 HydrophobicContact CG2-CZ2 4.48Å
115	G	96.5	Very high	91.6	Very high	34 Å²	34	60.4 Å²	60.4	35%	0.351	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	27.4	179.6	0	0	0	0	0	114.1	F162 R164	G115-F162 PolarHBondContact N-O 3.11Å; G115-R164 WeakPolarHBondContact CA-O 3.46Å; G115-R164 PolarHBondContact N-O 3.34Å
116	G	94.9	Very high	93.2	Very high	49 Å²	49	56 Å²	56	51%	0.505	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	-10.8	-176.1	0	0	0	0	0	115.2	N113 V114	N113-G116 WeakPolarHBondContact OD1-CA 3.29Å; N113-G116 PolarHBondContact OD1-N 3.28Å; V114-G116 PolarHBondContact O-N 3.22Å
117	I	98	Very high	94.5	Very high	86 Å²	86	51.3 Å²	51.3	44%	0.441	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.5	178.1	-57	-167.8	0	0	0	110.1	N113 V114 H119 P166	N113-I117 WeakPolarHBondContact CA-O 3.48Å; N113-I117 PolarHBondContact OD1-N 3.43Å; V114-I117 PolarHBondContact N-O 3.25Å; V114-I117 PolarHBondContact O-N 2.99Å; I117-H119 PolarHBondContact O-CD2 3.27Å; I117-P166 HydrophobicContact CB-CB 3.77Å; I117-P166 HydrophobicContact CB-CG 4.35Å; I117-P166 HydrophobicContact CD1-CB 3.73Å; I117-P166 HydrophobicContact CD1-CG 3.62Å; I117-P166 HydrophobicContact CG1-CB 3.86Å; I117-P166 HydrophobicContact CG1-CG 3.89Å
118	K	96.9	Very high	95.3	Very high	121 Å²	121	54.8 Å²	54.8	53%	0.526	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	127	179.8	-58.8	-168.3	-175.4	-157.1	0	111.4	L111 N113 E159	L111-K118 HydrophobicContact CD1-CB 4.09Å; L111-K118 HydrophobicContact CD1-CD 4.4Å; N113-K118 HydrophobicContact CB-CG 4.45Å; K118-E159 VanDerWaalsContact CE-OE1 3.3Å; K118-E159 WeakPolarHBondContact CE-OE1 3.18Å; K118-E159 WeakPolarHBondContact CE-OE2 3.18Å; K118-E159 IonicContact NZ-OE1 2.67Å; K118-E159 PolarHBondContact NZ-OE1 3.44Å; K118-E159 IonicContact NZ-OE2 2.85Å; K118-E159 PolarHBondContact NZ-OE2 2.79Å
119	H	97.2	Very high	95.6	Very high	27 Å²	27	48.4 Å²	48.4	13%	0.125	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.4	177.7	-63.1	-81.5	0	0	0	110.2	I112 I117 F169 L173	I112-H119 PolarHBondContact N-O 3.06Å; I112-H119 WeakPolarHBondContact O-CA 3.46Å; I112-H119 WeakPolarHBondContact O-CB 3.5Å; I112-H119 PolarHBondContact O-N 2.94Å; I117-H119 PolarHBondContact O-CD2 3.27Å; H119-F169 HydrophobicContact CB-CD1 4.48Å; H119-F169 HydrophobicContact CB-CE1 3.87Å; H119-F169 AromaticContact CD2-CD1 3.5Å; H119-F169 VanDerWaalsContact CD2-CD1 3.5Å; H119-F169 WeakPolarHBondContact CD2-CD1 3.44Å; H119-F169 AromaticContact CD2-CE1 3.69Å; H119-F169 AromaticContact CG-CD1 3.86Å; H119-F169 AromaticContact CG-CE1 3.74Å; H119-F169 AromaticContact NE2-CD1 3.71Å; H119-L173 HydrophobicContact CB-CD2 3.85Å
120	E	95.3	Very high	95.7	Very high	89 Å²	89	45 Å²	45	42%	0.416	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	136.7	177.6	-66.1	-177	176.3	0	0	111.7	R109 A110 L111 R177	R109-E120 IonicContact CZ-OE2 2.66Å; R109-E120 IonicContact NE-OE2 2.73Å; R109-E120 PolarHBondContact NE-OE2 2.87Å; R109-E120 IonicContact NH1-OE2 3.96Å; R109-E120 IonicContact NH2-OE2 3.34Å; R109-E120 PolarHBondContact NH2-OE2 3.09Å; A110-E120 WeakPolarHBondContact O-CA 3.37Å; L111-E120 HydrophobicContact CD1-CG 3.78Å; E120-R177 PolarHBondContact O-NH2 3.4Å
121	I	95.7	Very high	95.8	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	152.5	176.3	-170.5	161.7	0	0	0	111	R109 A110 I112 I125 V126 L173 Y176 R177	R109-I121 CarbonylContact C-O 3.6Å; R109-I121 VanDerWaalsContact CA-O 3.29Å; R109-I121 WeakPolarHBondContact CA-O 3.46Å; A110-I121 HydrophobicContact CB-CG2 4.03Å; A110-I121 PolarHBondContact N-O 2.9Å; A110-I121 PolarHBondContact O-N 3.42Å; A110-I121 VanDerWaalsContact O-N 3.15Å; I112-I121 HydrophobicContact CD1-CG2 3.8Å; I121-I125 HydrophobicContact CD1-CB 4.4Å; I121-I125 HydrophobicContact CD1-CG2 4.16Å; I121-I125 HydrophobicContact CG1-CB 4.31Å; I121-V126 HydrophobicContact CD1-CG2 3.91Å; I121-V126 HydrophobicContact CG1-CG2 4.06Å; I121-V126 HydrophobicContact CG2-CG2 3.76Å; I121-L173 HydrophobicContact CB-CD1 3.95Å; I121-L173 HydrophobicContact CD1-CD1 3.65Å; I121-L173 HydrophobicContact CD1-CG 4.41Å; I121-L173 HydrophobicContact CG1-CD1 4.37Å; I121-L173 HydrophobicContact CG2-CD1 4.16Å; I121-Y176 HydrophobicContact CD1-CG 4.25Å; I121-R177 HydrophobicContact CD1-CG 4.35Å
122	L	95.5	Very high	95.8	Very high	72 Å²	72	50.1 Å²	50.1	38%	0.377	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	135.1	173.5	-65.7	124.2	0	0	0	110.3	K108 N124 I125 V126	K108-L122 WeakPolarHBondContact O-CA 3.4Å; L122-N124 WeakPolarHBondContact CB-OD1 3.49Å; L122-N124 PolarHBondContact O-N 2.87Å; L122-I125 HydrophobicContact CB-CD1 4.17Å; L122-I125 HydrophobicContact CB-CG1 4.15Å; L122-I125 HydrophobicContact CD1-CD1 3.78Å; L122-I125 HydrophobicContact CD1-CG1 4.49Å; L122-I125 WeakPolarHBondContact O-CB 3.08Å; L122-I125 PolarHBondContact O-N 2.7Å; L122-V126 PolarHBondContact O-N 3.05Å
123	W	93.4	Very high	95.8	Very high	8 Å²	8	52.7 Å²	52.7	3%	0.03	28%	0.278	C	S	.	.	H	α-helix	trans	-56.5	-38.6	178.1	-74.4	131.5	0	0	0	112.4	N104 S107 K108 A110 I125 V126 D127 L137 H138 Y160	N104-W123 WeakPolarHBondContact OD1-CZ2 3.19Å; N104-W123 PolarHBondContact OD1-NE1 2.61Å; S107-W123 VanDerWaalsContact O-CD1 3.28Å; K108-W123 PolarHBondContact O-N 3.33Å; K108-W123 VanDerWaalsContact O-N 3.15Å; A110-W123 HydrophobicContact CB-CD2 3.77Å; A110-W123 VanDerWaalsContact CB-CE2 3.5Å; A110-W123 HydrophobicContact CB-CE3 3.86Å; A110-W123 HydrophobicContact CB-CH2 3.48Å; A110-W123 VanDerWaalsContact CB-CH2 3.48Å; A110-W123 HydrophobicContact CB-CZ2 3.37Å; A110-W123 HydrophobicContact CB-CZ3 3.72Å; W123-I125 PolarHBondContact O-N 3.1Å; W123-I125 VanDerWaalsContact O-N 3.09Å; W123-V126 HydrophobicContact CE3-CB 4.32Å; W123-V126 HydrophobicContact CE3-CG1 4.38Å; W123-V126 HydrophobicContact CE3-CG2 4.44Å; W123-V126 WeakPolarHBondContact O-CA 3.26Å; W123-V126 WeakPolarHBondContact O-CB 3.36Å; W123-V126 PolarHBondContact O-N 3.15Å; W123-D127 VanDerWaalsContact O-CG 3.26Å; W123-D127 PolarHBondContact O-N 3.1Å; W123-L137 HydrophobicContact CH2-CD2 4.21Å; W123-L137 HydrophobicContact CH2-CG 4.35Å; W123-H138 AromaticContact CD1-NE2 3.94Å; W123-H138 HydrophobicContact CD2-CB 4.18Å; W123-H138 AromaticContact CD2-CD2 3.54Å; W123-H138 AromaticContact CD2-CG 3.76Å; W123-H138 AromaticContact CE2-CD2 3.91Å; W123-H138 HydrophobicContact CE3-CB 3.49Å; W123-H138 VanDerWaalsContact CE3-CB 3.49Å; W123-H138 AromaticContact CE3-CD2 3.81Å; W123-H138 AromaticContact CE3-CG 3.55Å; W123-H138 AromaticContact CG-CD2 3.7Å; W123-H138 AromaticContact CG-NE2 3.67Å; W123-H138 HydrophobicContact CH2-CB 4.36Å; W123-H138 HydrophobicContact CZ3-CB 3.6Å; W123-Y160 HydrophobicContact CH2-CE2 4.04Å; W123-Y160 AromaticContact CZ2-CE2 3.79Å; W123-Y160 HydrophobicContact CZ2-CE2 3.79Å
124	N	94.4	Very high	95.7	Very high	102 Å²	102	51.9 Å²	51.9	55%	0.545	27%	0.273	S	S	.	.	H	α-helix	trans	-61.3	-21.1	177	71.9	-5.8	0	0	0	115	L122	L122-N124 WeakPolarHBondContact CB-OD1 3.49Å; L122-N124 PolarHBondContact O-N 2.87Å
125	I	95.9	Very high	95.6	Very high	25 Å²	25	51.9 Å²	51.9	13%	0.128	27%	0.273	C	S	.	.	H	α-helix	trans	-82.4	-40.3	174.4	-61.5	176.9	0	0	0	109	I121 L122 W123 D127 R128 Y176	I121-I125 HydrophobicContact CD1-CB 4.4Å; I121-I125 HydrophobicContact CD1-CG2 4.16Å; I121-I125 HydrophobicContact CG1-CB 4.31Å; L122-I125 HydrophobicContact CB-CD1 4.17Å; L122-I125 HydrophobicContact CB-CG1 4.15Å; L122-I125 HydrophobicContact CD1-CD1 3.78Å; L122-I125 HydrophobicContact CD1-CG1 4.49Å; L122-I125 WeakPolarHBondContact O-CB 3.08Å; L122-I125 PolarHBondContact O-N 2.7Å; W123-I125 PolarHBondContact O-N 3.1Å; W123-I125 VanDerWaalsContact O-N 3.09Å; I125-D127 VanDerWaalsContact C-N 3.34Å; I125-R128 WeakPolarHBondContact O-CB 3.31Å; I125-R128 WeakPolarHBondContact O-CG 3.44Å; I125-R128 PolarHBondContact O-N 3.29Å; I125-Y176 VanDerWaalsContact CG2-C 3.45Å; I125-Y176 WeakPolarHBondContact CG2-O 3.46Å
126	V	95.3	Very high	95.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-41.2	177.4	176	0	0	0	0	110.9	I121 L122 W123 R128 Y129 L134 Y176	I121-V126 HydrophobicContact CD1-CG2 3.91Å; I121-V126 HydrophobicContact CG1-CG2 4.06Å; I121-V126 HydrophobicContact CG2-CG2 3.76Å; L122-V126 PolarHBondContact O-N 3.05Å; W123-V126 HydrophobicContact CE3-CB 4.32Å; W123-V126 HydrophobicContact CE3-CG1 4.38Å; W123-V126 HydrophobicContact CE3-CG2 4.44Å; W123-V126 WeakPolarHBondContact O-CA 3.26Å; W123-V126 WeakPolarHBondContact O-CB 3.36Å; W123-V126 PolarHBondContact O-N 3.15Å; V126-R128 PolarHBondContact O-N 2.97Å; V126-Y129 PolarHBondContact O-N 2.98Å; V126-L134 HydrophobicContact CG1-CB 3.72Å; V126-L134 VanDerWaalsContact CG1-O 3.24Å; V126-L134 WeakPolarHBondContact CG1-O 3.45Å; V126-Y176 HydrophobicContact CG1-CE1 4.36Å
127	D	94.7	Very high	95.4	Very high	55 Å²	55	53.1 Å²	53.1	29%	0.294	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-12.5	179.6	-68.9	-24.2	0	0	0	114.9	W123 I125 Y129 P130 H138 H139	W123-D127 VanDerWaalsContact O-CG 3.26Å; W123-D127 PolarHBondContact O-N 3.1Å; I125-D127 VanDerWaalsContact C-N 3.34Å; D127-Y129 PolarHBondContact O-N 3.16Å; D127-P130 WeakPolarHBondContact O-CD 3.32Å; D127-H138 VanDerWaalsContact CG-ND1 3.28Å; D127-H138 IonicContact OD1-CE1 3.63Å; D127-H138 IonicContact OD1-CG 3.68Å; D127-H138 IonicContact OD1-ND1 2.7Å; D127-H138 PolarHBondContact OD1-ND1 2.98Å; D127-H138 IonicContact OD2-CE1 3.24Å; D127-H138 PolarHBondContact OD2-CE1 3.39Å; D127-H138 VanDerWaalsContact OD2-CE1 3.24Å; D127-H138 IonicContact OD2-ND1 3.16Å; D127-H138 PolarHBondContact OD2-ND1 2.77Å; D127-H138 VanDerWaalsContact OD2-ND1 3.16Å; D127-H139 IonicContact OD1-CE1 3.17Å; D127-H139 PolarHBondContact OD1-CE1 2.69Å; D127-H139 IonicContact OD1-NE2 3.9Å
128	R	94	Very high	95	Very high	118 Å²	118	51.4 Å²	51.4	45%	0.445	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.6	171.9	-62.4	175.4	-178.5	175	0.2	112.3	I125 V126	I125-R128 WeakPolarHBondContact O-CB 3.31Å; I125-R128 WeakPolarHBondContact O-CG 3.44Å; I125-R128 PolarHBondContact O-N 3.29Å; V126-R128 PolarHBondContact O-N 2.97Å
129	Y	95.9	Very high	94.5	Very high	41 Å²	41	50.8 Å²	50.8	16%	0.161	24%	0.244	C	C	.	.	S	Bend	trans	-131.4	67.3	-179.1	-55.6	-77.3	0	0	0	110.3	V126 D127 N131 T132 F175 Y176 F205	V126-Y129 PolarHBondContact O-N 2.98Å; D127-Y129 PolarHBondContact O-N 3.16Å; Y129-N131 PolarHBondContact O-N 2.77Å; Y129-N131 VanDerWaalsContact O-N 3.1Å; Y129-T132 WeakPolarHBondContact O-CB 3.24Å; Y129-T132 PolarHBondContact O-N 3.37Å; Y129-T132 VanDerWaalsContact O-N 3.1Å; Y129-T132 PolarHBondContact O-OG1 3.4Å; Y129-F175 HydrophobicContact CD1-CE1 4.33Å; Y129-F175 AromaticContact CD1-CZ 3.91Å; Y129-F175 HydrophobicContact CD1-CZ 3.91Å; Y129-F175 AromaticContact CD2-CE1 3.82Å; Y129-F175 HydrophobicContact CD2-CE1 3.82Å; Y129-F175 HydrophobicContact CD2-CZ 4.01Å; Y129-F175 HydrophobicContact CE1-CE1 4.33Å; Y129-F175 HydrophobicContact CE1-CE2 4.3Å; Y129-F175 AromaticContact CE1-CZ 3.57Å; Y129-F175 HydrophobicContact CE1-CZ 3.57Å; Y129-F175 AromaticContact CE2-CE1 3.8Å; Y129-F175 HydrophobicContact CE2-CE1 3.8Å; Y129-F175 HydrophobicContact CE2-CE2 4.32Å; Y129-F175 AromaticContact CE2-CZ 3.65Å; Y129-F175 HydrophobicContact CE2-CZ 3.65Å; Y129-F175 HydrophobicContact CG-CE1 4.08Å; Y129-F175 HydrophobicContact CG-CZ 4.12Å; Y129-F175 AromaticContact CZ-CE2 3.91Å; Y129-F175 AromaticContact CZ-CZ 3.42Å; Y129-F175 VanDerWaalsContact CZ-CZ 3.42Å; Y129-Y176 AromaticContact CD2-CD1 3.8Å; Y129-Y176 HydrophobicContact CD2-CD1 3.8Å; Y129-Y176 HydrophobicContact CD2-CE1 4.09Å; Y129-F205 HydrophobicContact CD1-CZ 4.4Å; Y129-F205 HydrophobicContact CE1-CE1 4.17Å; Y129-F205 AromaticContact CE1-CZ 3.99Å; Y129-F205 HydrophobicContact CE1-CZ 3.99Å
130	P	94.9	Very high	94.1	Very high	62 Å²	62	51 Å²	51	40%	0.403	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.9	-171	27.2	-35.4	0	0	0	113.6	D127 T132 G135 K136	D127-P130 WeakPolarHBondContact O-CD 3.32Å; P130-T132 VanDerWaalsContact C-N 3.33Å; P130-G135 CarbonylContact O-C 3.52Å; P130-G135 VanDerWaalsContact O-C 3.26Å; P130-K136 PolarHBondContact O-N 3Å; P130-K136 VanDerWaalsContact O-N 3.15Å
131	N	94.5	Very high	93.4	Very high	135 Å²	135	51.8 Å²	51.8	72%	0.722	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-12.6	179.8	-65.3	-25.1	0	0	0	114.1	Y129 K136	Y129-N131 PolarHBondContact O-N 2.77Å; Y129-N131 VanDerWaalsContact O-N 3.1Å; N131-K136 VanDerWaalsContact O-CE 3.24Å; N131-K136 WeakPolarHBondContact O-CE 3.47Å
132	T	96.9	Very high	92.7	Very high	6 Å²	6	54.2 Å²	54.2	4%	0.037	27%	0.267	C	S	.	.	S	Bend	trans	-72.2	164.3	174.3	62.1	0	0	0	0	110.9	Y129 P130 L134 G135 K136 Y176 V201	Y129-T132 WeakPolarHBondContact O-CB 3.24Å; Y129-T132 PolarHBondContact O-N 3.37Å; Y129-T132 VanDerWaalsContact O-N 3.1Å; Y129-T132 PolarHBondContact O-OG1 3.4Å; P130-T132 VanDerWaalsContact C-N 3.33Å; T132-L134 PolarHBondContact O-N 2.79Å; T132-G135 PolarHBondContact O-N 3.49Å; T132-G135 VanDerWaalsContact O-N 3.16Å; T132-G135 PolarHBondContact OG1-N 2.85Å; T132-K136 WeakPolarHBondContact O-CG 3.36Å; T132-K136 PolarHBondContact O-N 2.85Å; T132-Y176 WeakPolarHBondContact CB-OH 3.5Å; T132-Y176 HydrophobicContact CG2-CE1 4.39Å; T132-Y176 WeakPolarHBondContact CG2-OH 3.35Å; T132-Y176 PolarHBondContact OG1-OH 3.12Å; T132-V201 HydrophobicContact CG2-CG2 4.31Å
133	R	96.4	Very high	91.9	Very high	55 Å²	55	52.6 Å²	52.6	21%	0.208	26%	0.258	C	S	.	.	H	α-helix	trans	-57.7	-44.8	178.8	-176.9	170.5	-69.2	-88.1	-2.3	112.4	K136 L137 N148 L149 F162 Y198 W199	R133-K136 PolarHBondContact O-N 2.59Å; R133-L137 WeakPolarHBondContact O-CB 3.3Å; R133-L137 PolarHBondContact O-N 3.01Å; R133-N148 PolarHBondContact NH1-O 2.9Å; R133-L149 HydrophobicContact CG-CD2 4.25Å; R133-L149 PolarHBondContact NH1-O 3.44Å; R133-F162 HydrophobicContact CG-CE1 4.42Å; R133-Y198 PolarHBondContact NE-O 3.05Å; R133-W199 HydrophobicContact CB-CE3 4.3Å; R133-W199 HydrophobicContact CG-CE3 4.47Å; R133-W199 PolarHBondContact N-O 3.15Å
134	L	96.1	Very high	91.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-70.3	-35.6	176	-61.7	-176.1	0	0	0	112.4	I112 V126 T132 K136 L137 H138 F162 F169 Y176 W199	I112-L134 HydrophobicContact CD1-CD1 3.74Å; I112-L134 HydrophobicContact CD1-CD2 3.75Å; I112-L134 HydrophobicContact CD1-CG 4.36Å; V126-L134 HydrophobicContact CG1-CB 3.72Å; V126-L134 VanDerWaalsContact CG1-O 3.24Å; V126-L134 WeakPolarHBondContact CG1-O 3.45Å; T132-L134 PolarHBondContact O-N 2.79Å; L134-K136 VanDerWaalsContact C-N 3.34Å; L134-L137 HydrophobicContact CD2-CD2 4.22Å; L134-L137 WeakPolarHBondContact O-CB 3.49Å; L134-L137 PolarHBondContact O-N 3.44Å; L134-H138 PolarHBondContact O-N 2.76Å; L134-F162 HydrophobicContact CD2-CE2 4.42Å; L134-F162 HydrophobicContact CD2-CZ 4.23Å; L134-F169 HydrophobicContact CD1-CE2 3.96Å; L134-F169 HydrophobicContact CD1-CZ 3.92Å; L134-Y176 HydrophobicContact CD1-CD2 4.44Å; L134-Y176 HydrophobicContact CD1-CE2 3.83Å; L134-W199 HydrophobicContact CD2-CE3 4.34Å; L134-W199 HydrophobicContact CD2-CZ3 3.86Å; L134-W199 HydrophobicContact CG-CE3 4.28Å; L134-W199 HydrophobicContact CG-CZ3 4.28Å
135	G	94.9	Very high	91.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.9	-46.6	172.8	0	0	0	0	0	112.2	P130 T132 L137 H139	P130-G135 CarbonylContact O-C 3.52Å; P130-G135 VanDerWaalsContact O-C 3.26Å; T132-G135 PolarHBondContact O-N 3.49Å; T132-G135 VanDerWaalsContact O-N 3.16Å; T132-G135 PolarHBondContact OG1-N 2.85Å; G135-L137 VanDerWaalsContact C-N 3.35Å; G135-H139 PolarHBondContact O-ND1 2.74Å
136	K	94.6	Very high	90.8	Very high	109 Å²	109	55.2 Å²	55.2	47%	0.474	27%	0.273	S	S	.	.	H	α-helix	trans	-63.1	-42.8	175	-69.6	172.1	179.4	174.4	0	111.1	P130 N131 T132 R133 L134 H138 H139 V140 L149	P130-K136 PolarHBondContact O-N 3Å; P130-K136 VanDerWaalsContact O-N 3.15Å; N131-K136 VanDerWaalsContact O-CE 3.24Å; N131-K136 WeakPolarHBondContact O-CE 3.47Å; T132-K136 WeakPolarHBondContact O-CG 3.36Å; T132-K136 PolarHBondContact O-N 2.85Å; R133-K136 PolarHBondContact O-N 2.59Å; L134-K136 VanDerWaalsContact C-N 3.34Å; K136-H138 VanDerWaalsContact C-N 3.29Å; K136-H138 PolarHBondContact O-N 3.36Å; K136-H139 PolarHBondContact O-N 2.88Å; K136-V140 WeakPolarHBondContact O-CG2 3.46Å; K136-V140 PolarHBondContact O-N 3.46Å; K136-L149 HydrophobicContact CB-CD1 3.78Å; K136-L149 HydrophobicContact CB-CD2 4.26Å; K136-L149 HydrophobicContact CD-CD2 4.33Å
137	L	92.5	Very high	90.4	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-53.9	-42.6	-178.3	-173.4	67.2	0	0	0	112.8	W123 R133 L134 G135 H139 V140 L146 L149 Y160 F162	W123-L137 HydrophobicContact CH2-CD2 4.21Å; W123-L137 HydrophobicContact CH2-CG 4.35Å; R133-L137 WeakPolarHBondContact O-CB 3.3Å; R133-L137 PolarHBondContact O-N 3.01Å; L134-L137 HydrophobicContact CD2-CD2 4.22Å; L134-L137 WeakPolarHBondContact O-CB 3.49Å; L134-L137 PolarHBondContact O-N 3.44Å; G135-L137 VanDerWaalsContact C-N 3.35Å; L137-H139 VanDerWaalsContact C-N 3.26Å; L137-H139 PolarHBondContact O-N 2.81Å; L137-V140 WeakPolarHBondContact O-CB 3.25Å; L137-V140 WeakPolarHBondContact O-CG2 3.44Å; L137-V140 PolarHBondContact O-N 3.24Å; L137-L146 HydrophobicContact CD1-CD1 3.62Å; L137-L149 HydrophobicContact CD1-CB 4.33Å; L137-Y160 HydrophobicContact CD1-CD1 3.73Å; L137-Y160 HydrophobicContact CD1-CE1 3.87Å; L137-Y160 HydrophobicContact CD2-CD1 3.69Å; L137-Y160 HydrophobicContact CD2-CD2 4.28Å; L137-Y160 HydrophobicContact CD2-CE1 4.11Å; L137-Y160 HydrophobicContact CD2-CG 3.78Å; L137-Y160 HydrophobicContact CG-CD1 3.99Å; L137-Y160 HydrophobicContact CG-CE1 4Å; L137-F162 HydrophobicContact CD2-CE2 4.44Å; L137-F162 HydrophobicContact CD2-CZ 4.18Å
138	H	90.3	Very high	90.2	Very high	50 Å²	50	61 Å²	61	23%	0.231	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-33.8	179.1	-173.1	-152.6	0	0	0	113	W123 D127 L134 K136	W123-H138 AromaticContact CD1-NE2 3.94Å; W123-H138 HydrophobicContact CD2-CB 4.18Å; W123-H138 AromaticContact CD2-CD2 3.54Å; W123-H138 AromaticContact CD2-CG 3.76Å; W123-H138 AromaticContact CE2-CD2 3.91Å; W123-H138 HydrophobicContact CE3-CB 3.49Å; W123-H138 VanDerWaalsContact CE3-CB 3.49Å; W123-H138 AromaticContact CE3-CD2 3.81Å; W123-H138 AromaticContact CE3-CG 3.55Å; W123-H138 AromaticContact CG-CD2 3.7Å; W123-H138 AromaticContact CG-NE2 3.67Å; W123-H138 HydrophobicContact CH2-CB 4.36Å; W123-H138 HydrophobicContact CZ3-CB 3.6Å; D127-H138 VanDerWaalsContact CG-ND1 3.28Å; D127-H138 IonicContact OD1-CE1 3.63Å; D127-H138 IonicContact OD1-CG 3.68Å; D127-H138 IonicContact OD1-ND1 2.7Å; D127-H138 PolarHBondContact OD1-ND1 2.98Å; D127-H138 IonicContact OD2-CE1 3.24Å; D127-H138 PolarHBondContact OD2-CE1 3.39Å; D127-H138 VanDerWaalsContact OD2-CE1 3.24Å; D127-H138 IonicContact OD2-ND1 3.16Å; D127-H138 PolarHBondContact OD2-ND1 2.77Å; D127-H138 VanDerWaalsContact OD2-ND1 3.16Å; L134-H138 PolarHBondContact O-N 2.76Å; K136-H138 VanDerWaalsContact C-N 3.29Å; K136-H138 PolarHBondContact O-N 3.36Å
139	H	87.3	Confident	90.1	Very high	107 Å²	107	56.7 Å²	56.7	50%	0.495	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	3	-175.3	-60.7	88.2	0	0	0	113	D127 G135 K136 L137 N141	D127-H139 IonicContact OD1-CE1 3.17Å; D127-H139 PolarHBondContact OD1-CE1 2.69Å; D127-H139 IonicContact OD1-NE2 3.9Å; G135-H139 PolarHBondContact O-ND1 2.74Å; K136-H139 PolarHBondContact O-N 2.88Å; L137-H139 VanDerWaalsContact C-N 3.26Å; L137-H139 PolarHBondContact O-N 2.81Å; H139-N141 PolarHBondContact O-N 2.81Å
140	V	87.1	Confident	90	Very high	31 Å²	31	54.9 Å²	54.9	19%	0.188	28%	0.283	C	S	.	.			trans	-60.6	130.2	177.6	172.6	0	0	0	0	110.2	K136 L137 N142 D145 L146 L149	K136-V140 WeakPolarHBondContact O-CG2 3.46Å; K136-V140 PolarHBondContact O-N 3.46Å; L137-V140 WeakPolarHBondContact O-CB 3.25Å; L137-V140 WeakPolarHBondContact O-CG2 3.44Å; L137-V140 PolarHBondContact O-N 3.24Å; V140-N142 WeakPolarHBondContact CG1-O 3.47Å; V140-D145 HydrophobicContact CG1-CB 4.16Å; V140-L146 HydrophobicContact CG1-CB 3.88Å; V140-L146 HydrophobicContact CG1-CD1 4.32Å; V140-L149 HydrophobicContact CG2-CD1 3.45Å; V140-L149 VanDerWaalsContact CG2-CD1 3.45Å
141	N	81.1	Confident	90	Very high	107 Å²	107	56 Å²	56	57%	0.572	29%	0.286	S	S	*	.			trans	-127.7	13.6	-175.6	52.3	-3.2	0	0	0	112.5	F97 H139	F97-N141 WeakPolarHBondContact CE1-O 3.42Å; F97-N141 WeakPolarHBondContact CE2-O 3.24Å; F97-N141 WeakPolarHBondContact CZ-O 3.46Å; H139-N141 PolarHBondContact O-N 2.81Å
142	N	81	Confident	89.9	Confident	56 Å²	56	52.5 Å²	52.5	30%	0.299	27%	0.267	S	S	.	.	S	Bend	trans	-150.1	153.2	166.1	66.6	72.1	0	0	0	110.7	F97 V140 N144 D145 L146	F97-N142 VanDerWaalsContact CE2-CA 3.43Å; V140-N142 WeakPolarHBondContact CG1-O 3.47Å; N142-N144 VanDerWaalsContact C-N 3.33Å; N142-N144 PolarHBondContact O-N 2.8Å; N142-N144 PolarHBondContact OD1-N 3.37Å; N142-D145 PolarHBondContact ND2-OD2 3.2Å; N142-D145 WeakPolarHBondContact OD1-CB 3.42Å; N142-D145 PolarHBondContact OD1-N 3.42Å; N142-D145 PolarHBondContact OD1-OD2 2.73Å; N142-L146 PolarHBondContact O-N 3.41Å
143	I	79.7	Confident	89.6	Confident	37 Å²	37	53 Å²	53	19%	0.19	27%	0.268	C	S	.	.	H	α-helix	trans	-69.3	-28.8	-175.5	-167.2	161	0	0	0	113.1	L100 L146 L147	L100-I143 HydrophobicContact CD1-CD1 4.36Å; I143-L146 VanDerWaalsContact O-CB 3.26Å; I143-L146 WeakPolarHBondContact O-CB 3.37Å; I143-L146 PolarHBondContact O-N 3.37Å; I143-L147 HydrophobicContact CG1-CD1 4.28Å; I143-L147 HydrophobicContact CG1-CG 4.48Å; I143-L147 WeakPolarHBondContact O-CG 3.37Å; I143-L147 PolarHBondContact O-N 3.06Å
144	N	83.3	Confident	89.3	Confident	110 Å²	110	52.8 Å²	52.8	59%	0.588	27%	0.271	S	S	*	.	H	α-helix	trans	-68.6	-42.7	179.7	-66.5	-17.6	0	0	0	110.9	N142 L146 L147 N148	N142-N144 VanDerWaalsContact C-N 3.33Å; N142-N144 PolarHBondContact O-N 2.8Å; N142-N144 PolarHBondContact OD1-N 3.37Å; N144-L146 VanDerWaalsContact C-N 3.27Å; N144-L146 PolarHBondContact O-N 3.1Å; N144-L147 PolarHBondContact O-N 3.44Å; N144-N148 PolarHBondContact O-N 2.83Å; N144-N148 PolarHBondContact O-ND2 3Å
145	D	87.8	Confident	88.7	Confident	69 Å²	69	53.3 Å²	53.3	37%	0.369	27%	0.274	S	S	.	.	H	α-helix	trans	-66.2	-31.8	174.7	-73	-11.1	0	0	0	111.8	V140 N142 N148 L149	V140-D145 HydrophobicContact CG1-CB 4.16Å; N142-D145 PolarHBondContact ND2-OD2 3.2Å; N142-D145 WeakPolarHBondContact OD1-CB 3.42Å; N142-D145 PolarHBondContact OD1-N 3.42Å; N142-D145 PolarHBondContact OD1-OD2 2.73Å; D145-N148 PolarHBondContact O-N 3.41Å; D145-L149 VanDerWaalsContact O-CG 3.32Å; D145-L149 WeakPolarHBondContact O-CG 3.08Å; D145-L149 PolarHBondContact O-N 2.93Å
146	L	88.3	Confident	88.2	Confident	12 Å²	12	58.3 Å²	58.3	6%	0.063	30%	0.3	C	S	.	.	H	α-helix	trans	-59	-54.4	170.9	-173.4	78.4	0	0	0	110.4	L137 V140 N142 I143 N144 N148 L149 C150 Y153 Y160	L137-L146 HydrophobicContact CD1-CD1 3.62Å; V140-L146 HydrophobicContact CG1-CB 3.88Å; V140-L146 HydrophobicContact CG1-CD1 4.32Å; N142-L146 PolarHBondContact O-N 3.41Å; I143-L146 VanDerWaalsContact O-CB 3.26Å; I143-L146 WeakPolarHBondContact O-CB 3.37Å; I143-L146 PolarHBondContact O-N 3.37Å; N144-L146 VanDerWaalsContact C-N 3.27Å; N144-L146 PolarHBondContact O-N 3.1Å; L146-N148 PolarHBondContact O-N 2.82Å; L146-L149 WeakPolarHBondContact O-CA 3.25Å; L146-L149 PolarHBondContact O-N 2.82Å; L146-C150 PolarHBondContact O-N 2.73Å; L146-C150 PolarHBondContact O-SG 3.48Å; L146-C150 VanDerWaalsContact O-SG 3.34Å; L146-Y153 HydrophobicContact CD2-CD1 3.82Å; L146-Y153 HydrophobicContact CD2-CD2 4.37Å; L146-Y153 HydrophobicContact CD2-CG 3.69Å; L146-Y160 HydrophobicContact CD1-CD1 4.03Å; L146-Y160 HydrophobicContact CD1-CE1 3.63Å
147	L	87.2	Confident	87.8	Confident	58 Å²	58	57.7 Å²	57.7	30%	0.304	30%	0.302	S	S	.	.	H	α-helix	trans	-70.4	-16.1	-178.2	-62.8	172.5	0	0	0	113.4	I57 I143 N144 L149 C150	I57-L147 HydrophobicContact CD1-CD1 3.6Å; I57-L147 HydrophobicContact CD1-CD2 3.94Å; I57-L147 HydrophobicContact CD1-CG 4.36Å; I143-L147 HydrophobicContact CG1-CD1 4.28Å; I143-L147 HydrophobicContact CG1-CG 4.48Å; I143-L147 WeakPolarHBondContact O-CG 3.37Å; I143-L147 PolarHBondContact O-N 3.06Å; N144-L147 PolarHBondContact O-N 3.44Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L147-C150 CarbonylContact C-O 3.5Å; L147-C150 VanDerWaalsContact O-O 3.13Å
148	N	90.9	Very high	87.6	Confident	118 Å²	118	58.4 Å²	58.4	63%	0.631	31%	0.306	S	S	*	.	H	α-helix	trans	-78.7	-22	168.2	-70.4	-28.1	0	0	0	112.3	R133 N144 D145 L146	R133-N148 PolarHBondContact NH1-O 2.9Å; N144-N148 PolarHBondContact O-N 2.83Å; N144-N148 PolarHBondContact O-ND2 3Å; D145-N148 PolarHBondContact O-N 3.41Å; L146-N148 PolarHBondContact O-N 2.82Å
149	L	92.5	Very high	87.8	Confident	28 Å²	28	56.8 Å²	56.8	15%	0.147	30%	0.298	C	S	.	.	H	α-helix	trans	-97.1	-41.6	-178.1	-70.8	174.4	0	0	0	113.2	R133 K136 L137 V140 D145 L146 L147 F162	R133-L149 HydrophobicContact CG-CD2 4.25Å; R133-L149 PolarHBondContact NH1-O 3.44Å; K136-L149 HydrophobicContact CB-CD1 3.78Å; K136-L149 HydrophobicContact CB-CD2 4.26Å; K136-L149 HydrophobicContact CD-CD2 4.33Å; L137-L149 HydrophobicContact CD1-CB 4.33Å; V140-L149 HydrophobicContact CG2-CD1 3.45Å; V140-L149 VanDerWaalsContact CG2-CD1 3.45Å; D145-L149 VanDerWaalsContact O-CG 3.32Å; D145-L149 WeakPolarHBondContact O-CG 3.08Å; D145-L149 PolarHBondContact O-N 2.93Å; L146-L149 WeakPolarHBondContact O-CA 3.25Å; L146-L149 PolarHBondContact O-N 2.82Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L149-F162 VanDerWaalsContact O-CE1 3.25Å; L149-F162 WeakPolarHBondContact O-CE1 3.49Å
150	C	93.5	Very high	88.1	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.014	28%	0.275	C	S	.	.			trans	-121.1	158.1	178.2	64.3	0	0	0	0	111.9	L146 L147 F162	L146-C150 PolarHBondContact O-N 2.73Å; L146-C150 PolarHBondContact O-SG 3.48Å; L146-C150 VanDerWaalsContact O-SG 3.34Å; L147-C150 CarbonylContact C-O 3.5Å; L147-C150 VanDerWaalsContact O-O 3.13Å; C150-F162 HydrophobicContact CB-CD1 4.23Å; C150-F162 HydrophobicContact CB-CD2 4.49Å; C150-F162 HydrophobicContact CB-CE1 3.7Å; C150-F162 HydrophobicContact CB-CE2 3.96Å; C150-F162 HydrophobicContact CB-CZ 3.54Å
151	D	94.9	Very high	88.6	Confident	87 Å²	87	53.9 Å²	53.9	47%	0.465	28%	0.28	S	S	.	.	S	Bend	trans	-80.2	-33.8	-174.1	-61.2	-54	0	0	0	112.3	Y161 F162 D163	D151-Y161 HydrophobicContact CB-CD1 4.28Å; D151-Y161 PolarHBondContact N-O 2.88Å; D151-F162 WeakPolarHBondContact OD2-CA 3.33Å; D151-D163 PolarHBondContact OD2-N 2.78Å
152	D	92.7	Very high	89.4	Confident	61 Å²	61	48.8 Å²	48.8	33%	0.326	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	163.2	173.4	-163	8	0	0	0	110.5	Y161	D152-Y161 HydrophobicContact CB-CD1 4.09Å; D152-Y161 HydrophobicContact CB-CG 4.47Å; D152-Y161 PolarHBondContact N-O 2.9Å; D152-Y161 PolarHBondContact O-N 3.18Å
153	Y	90.6	Very high	90.1	Very high	17 Å²	17	51.5 Å²	51.5	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	124.3	178.5	172.4	-96.6	0	0	0	111.5	L100 L146 P155 N158 E159 Y160	L100-Y153 HydrophobicContact CD2-CD1 4.09Å; L100-Y153 HydrophobicContact CD2-CE1 3.12Å; L100-Y153 WeakPolarHBondContact CD2-OH 3.35Å; L146-Y153 HydrophobicContact CD2-CD1 3.82Å; L146-Y153 HydrophobicContact CD2-CD2 4.37Å; L146-Y153 HydrophobicContact CD2-CG 3.69Å; Y153-P155 VanDerWaalsContact CE1-CA 3.46Å; Y153-P155 HydrophobicContact CE1-CB 3.87Å; Y153-P155 VanDerWaalsContact O-CD 3.31Å; Y153-P155 WeakPolarHBondContact O-CD 3.17Å; Y153-N158 PolarHBondContact OH-OD1 3.12Å; Y153-E159 WeakPolarHBondContact CA-O 3.49Å; Y153-E159 VanDerWaalsContact CD2-O 3.3Å; Y153-E159 WeakPolarHBondContact CD2-O 3.02Å; Y153-Y160 AromaticContact CD2-CD1 3.3Å; Y153-Y160 HydrophobicContact CD2-CD1 3.3Å; Y153-Y160 HydrophobicContact CD2-CD2 4.35Å; Y153-Y160 AromaticContact CD2-CE1 3.43Å; Y153-Y160 HydrophobicContact CD2-CE1 3.43Å; Y153-Y160 VanDerWaalsContact CD2-CE1 3.43Å; Y153-Y160 HydrophobicContact CD2-CE2 4.42Å; Y153-Y160 AromaticContact CD2-CG 3.81Å; Y153-Y160 HydrophobicContact CD2-CG 3.81Å; Y153-Y160 AromaticContact CE2-CD1 3.73Å; Y153-Y160 HydrophobicContact CE2-CD1 3.73Å; Y153-Y160 HydrophobicContact CE2-CD2 4.24Å; Y153-Y160 AromaticContact CE2-CE1 3.4Å; Y153-Y160 HydrophobicContact CE2-CE1 3.4Å; Y153-Y160 VanDerWaalsContact CE2-CE1 3.4Å; Y153-Y160 AromaticContact CE2-CE2 3.92Å; Y153-Y160 HydrophobicContact CE2-CE2 3.92Å; Y153-Y160 HydrophobicContact CE2-CG 4.15Å; Y153-Y160 AromaticContact CE2-CZ 3.49Å; Y153-Y160 VanDerWaalsContact CE2-CZ 3.49Å; Y153-Y160 HydrophobicContact CG-CD1 4.33Å; Y153-Y160 HydrophobicContact CG-CE1 4.48Å
154	D	89.2	Confident	90.9	Very high	50 Å²	50	52.9 Å²	52.9	27%	0.267	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	108.7	176.2	178.6	-4.2	0	0	0	110.4	I156 N157 N158 E159	D154-I156 VanDerWaalsContact C-N 3.29Å; D154-I156 PolarHBondContact O-N 3.32Å; D154-I156 WeakPolarHBondContact OD1-CB 3.48Å; D154-I156 PolarHBondContact OD1-N 2.88Å; D154-N157 PolarHBondContact OD1-N 2.93Å; D154-N157 WeakPolarHBondContact OD2-CB 3.44Å; D154-N157 PolarHBondContact OD2-ND2 3.35Å; D154-N158 VanDerWaalsContact O-CA 3.25Å; D154-N158 WeakPolarHBondContact O-CA 3.36Å; D154-N158 PolarHBondContact O-N 2.86Å; D154-E159 HydrophobicContact CB-CB 4.23Å; D154-E159 PolarHBondContact N-O 3.36Å; D154-E159 PolarHBondContact O-N 3.03Å; D154-E159 VanDerWaalsContact O-N 3.09Å
155	P	83.9	Confident	91.5	Very high	10 Å²	10	50.4 Å²	50.4	7%	0.065	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-23	-179.4	28.8	-35	0	0	0	113.8	L64 L100 Y153	L64-P155 HydrophobicContact CD1-CB 4.32Å; L64-P155 HydrophobicContact CD1-CG 4.34Å; L64-P155 HydrophobicContact CD2-CB 4.31Å; L100-P155 HydrophobicContact CD2-CB 4.3Å; Y153-P155 VanDerWaalsContact CE1-CA 3.46Å; Y153-P155 HydrophobicContact CE1-CB 3.87Å; Y153-P155 VanDerWaalsContact O-CD 3.31Å; Y153-P155 WeakPolarHBondContact O-CD 3.17Å
156	I	84.5	Confident	92	Very high	105 Å²	105	48.3 Å²	48.3	54%	0.538	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-49.1	-177.4	-57.6	175.6	0	0	0	109.2	L64 D154	L64-I156 HydrophobicContact CD1-CG1 3.75Å; D154-I156 VanDerWaalsContact C-N 3.29Å; D154-I156 PolarHBondContact O-N 3.32Å; D154-I156 WeakPolarHBondContact OD1-CB 3.48Å; D154-I156 PolarHBondContact OD1-N 2.88Å
157	N	86.8	Confident	92.3	Very high	97 Å²	97	52.8 Å²	52.8	52%	0.519	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.7	179.7	-66.3	-55.5	0	0	0	113.3	D154 E159	D154-N157 PolarHBondContact OD1-N 2.93Å; D154-N157 WeakPolarHBondContact OD2-CB 3.44Å; D154-N157 PolarHBondContact OD2-ND2 3.35Å; N157-E159 HydrophobicContact CB-CB 4.15Å; N157-E159 PolarHBondContact O-N 3.13Å
158	N	88.2	Confident	92.7	Very high	15 Å²	15	50.1 Å²	50.1	8%	0.08	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	46.3	-171.8	-171.4	44.2	0	0	0	111.2	I103 Y153 D154	I103-N158 HydrophobicContact CG2-CB 3.73Å; Y153-N158 PolarHBondContact OH-OD1 3.12Å; D154-N158 VanDerWaalsContact O-CA 3.25Å; D154-N158 WeakPolarHBondContact O-CA 3.36Å; D154-N158 PolarHBondContact O-N 2.86Å
159	E	92.7	Very high	93.1	Very high	16 Å²	16	44.5 Å²	44.5	8%	0.075	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.6	-173.3	178.7	172.2	158.5	0	0	110.2	L111 N113 K118 Y153 D154 N157	L111-E159 HydrophobicContact CD2-CB 3.9Å; L111-E159 HydrophobicContact CD2-CG 4.09Å; L111-E159 HydrophobicContact CG-CB 4.18Å; L111-E159 HydrophobicContact CG-CG 4.06Å; L111-E159 WeakPolarHBondContact O-CA 3.3Å; N113-E159 HydrophobicContact CB-CG 3.92Å; N113-E159 WeakPolarHBondContact CB-OE1 3.47Å; N113-E159 PolarHBondContact ND2-OE1 2.9Å; K118-E159 VanDerWaalsContact CE-OE1 3.3Å; K118-E159 WeakPolarHBondContact CE-OE1 3.18Å; K118-E159 WeakPolarHBondContact CE-OE2 3.18Å; K118-E159 IonicContact NZ-OE1 2.67Å; K118-E159 PolarHBondContact NZ-OE1 3.44Å; K118-E159 IonicContact NZ-OE2 2.85Å; K118-E159 PolarHBondContact NZ-OE2 2.79Å; Y153-E159 WeakPolarHBondContact CA-O 3.49Å; Y153-E159 VanDerWaalsContact CD2-O 3.3Å; Y153-E159 WeakPolarHBondContact CD2-O 3.02Å; D154-E159 HydrophobicContact CB-CB 4.23Å; D154-E159 PolarHBondContact N-O 3.36Å; D154-E159 PolarHBondContact O-N 3.03Å; D154-E159 VanDerWaalsContact O-N 3.09Å; N157-E159 HydrophobicContact CB-CB 4.15Å; N157-E159 PolarHBondContact O-N 3.13Å
160	Y	94.6	Very high	93.2	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.6	178.8	-56.5	-93.7	0	0	0	109.4	N104 L111 I112 N113 W123 L137 L146 Y153	N104-Y160 VanDerWaalsContact CG-OH 3.29Å; N104-Y160 PolarHBondContact ND2-OH 3.23Å; N104-Y160 VanDerWaalsContact ND2-OH 3.13Å; N104-Y160 PolarHBondContact OD1-OH 3.48Å; N104-Y160 VanDerWaalsContact OD1-OH 3.11Å; L111-Y160 WeakPolarHBondContact O-CD2 3.48Å; L111-Y160 PolarHBondContact O-N 3.04Å; I112-Y160 CarbonylContact C-O 3.59Å; N113-Y160 PolarHBondContact N-O 3.35Å; W123-Y160 HydrophobicContact CH2-CE2 4.04Å; W123-Y160 AromaticContact CZ2-CE2 3.79Å; W123-Y160 HydrophobicContact CZ2-CE2 3.79Å; L137-Y160 HydrophobicContact CD1-CD1 3.73Å; L137-Y160 HydrophobicContact CD1-CE1 3.87Å; L137-Y160 HydrophobicContact CD2-CD1 3.69Å; L137-Y160 HydrophobicContact CD2-CD2 4.28Å; L137-Y160 HydrophobicContact CD2-CE1 4.11Å; L137-Y160 HydrophobicContact CD2-CG 3.78Å; L137-Y160 HydrophobicContact CG-CD1 3.99Å; L137-Y160 HydrophobicContact CG-CE1 4Å; L146-Y160 HydrophobicContact CD1-CD1 4.03Å; L146-Y160 HydrophobicContact CD1-CE1 3.63Å; Y153-Y160 AromaticContact CD2-CD1 3.3Å; Y153-Y160 HydrophobicContact CD2-CD1 3.3Å; Y153-Y160 HydrophobicContact CD2-CD2 4.35Å; Y153-Y160 AromaticContact CD2-CE1 3.43Å; Y153-Y160 HydrophobicContact CD2-CE1 3.43Å; Y153-Y160 VanDerWaalsContact CD2-CE1 3.43Å; Y153-Y160 HydrophobicContact CD2-CE2 4.42Å; Y153-Y160 AromaticContact CD2-CG 3.81Å; Y153-Y160 HydrophobicContact CD2-CG 3.81Å; Y153-Y160 AromaticContact CE2-CD1 3.73Å; Y153-Y160 HydrophobicContact CE2-CD1 3.73Å; Y153-Y160 HydrophobicContact CE2-CD2 4.24Å; Y153-Y160 AromaticContact CE2-CE1 3.4Å; Y153-Y160 HydrophobicContact CE2-CE1 3.4Å; Y153-Y160 VanDerWaalsContact CE2-CE1 3.4Å; Y153-Y160 AromaticContact CE2-CE2 3.92Å; Y153-Y160 HydrophobicContact CE2-CE2 3.92Å; Y153-Y160 HydrophobicContact CE2-CG 4.15Å; Y153-Y160 AromaticContact CE2-CZ 3.49Å; Y153-Y160 VanDerWaalsContact CE2-CZ 3.49Å; Y153-Y160 HydrophobicContact CG-CD1 4.33Å; Y153-Y160 HydrophobicContact CG-CE1 4.48Å
161	Y	96.9	Very high	93.3	Very high	73 Å²	73	46.2 Å²	46.2	29%	0.286	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.9	-177.6	-179.1	-101.8	0	0	0	112.3	N113 D151 D152 D163	N113-Y161 HydrophobicContact CB-CD2 4.04Å; N113-Y161 CarbonylContact O-C 3.59Å; N113-Y161 WeakPolarHBondContact O-CA 3.36Å; D151-Y161 HydrophobicContact CB-CD1 4.28Å; D151-Y161 PolarHBondContact N-O 2.88Å; D152-Y161 HydrophobicContact CB-CD1 4.09Å; D152-Y161 HydrophobicContact CB-CG 4.47Å; D152-Y161 PolarHBondContact N-O 2.9Å; D152-Y161 PolarHBondContact O-N 3.18Å; Y161-D163 HydrophobicContact CE1-CB 3.97Å
162	F	97.9	Very high	93.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	122.4	175.9	-63.9	-95.7	0	0	0	109	I112 N113 V114 G115 R133 L134 L137 L149 C150 D151 R164 Y198 W199	I112-F162 HydrophobicContact CG2-CD2 3.81Å; I112-F162 HydrophobicContact CG2-CE2 3.83Å; N113-F162 PolarHBondContact O-N 3.26Å; V114-F162 CarbonylContact C-O 3.5Å; V114-F162 WeakPolarHBondContact CA-O 3.35Å; V114-F162 HydrophobicContact CG2-CB 4.34Å; G115-F162 PolarHBondContact N-O 3.11Å; R133-F162 HydrophobicContact CG-CE1 4.42Å; L134-F162 HydrophobicContact CD2-CE2 4.42Å; L134-F162 HydrophobicContact CD2-CZ 4.23Å; L137-F162 HydrophobicContact CD2-CE2 4.44Å; L137-F162 HydrophobicContact CD2-CZ 4.18Å; L149-F162 VanDerWaalsContact O-CE1 3.25Å; L149-F162 WeakPolarHBondContact O-CE1 3.49Å; C150-F162 HydrophobicContact CB-CD1 4.23Å; C150-F162 HydrophobicContact CB-CD2 4.49Å; C150-F162 HydrophobicContact CB-CE1 3.7Å; C150-F162 HydrophobicContact CB-CE2 3.96Å; C150-F162 HydrophobicContact CB-CZ 3.54Å; D151-F162 WeakPolarHBondContact OD2-CA 3.33Å; F162-R164 HydrophobicContact CB-CG 4.22Å; F162-R164 PolarHBondContact O-N 2.98Å; F162-Y198 HydrophobicContact CD1-CE1 4.35Å; F162-W199 HydrophobicContact CB-CH2 4Å; F162-W199 AromaticContact CD1-CH2 3.63Å; F162-W199 HydrophobicContact CD1-CH2 3.63Å; F162-W199 AromaticContact CD1-CZ3 3.91Å; F162-W199 HydrophobicContact CD1-CZ3 3.91Å; F162-W199 HydrophobicContact CD2-CH2 4.06Å; F162-W199 HydrophobicContact CD2-CZ3 4.48Å; F162-W199 HydrophobicContact CE1-CH2 4.04Å; F162-W199 AromaticContact CE1-CZ3 3.81Å; F162-W199 HydrophobicContact CE1-CZ3 3.81Å; F162-W199 HydrophobicContact CE2-CH2 4.46Å; F162-W199 HydrophobicContact CE2-CZ3 4.43Å; F162-W199 AromaticContact CG-CH2 3.63Å; F162-W199 HydrophobicContact CG-CH2 3.63Å; F162-W199 HydrophobicContact CG-CZ3 4.23Å; F162-W199 HydrophobicContact CZ-CH2 4.44Å; F162-W199 HydrophobicContact CZ-CZ3 4.1Å
163	D	96.8	Very high	93.6	Very high	112 Å²	112	39.3 Å²	39.3	60%	0.599	20%	0.201	S	C	*	.			trans	-82.8	67.4	177.1	-169.6	19.6	0	0	0	110.6	D151 Y161	D151-D163 PolarHBondContact OD2-N 2.78Å; Y161-D163 HydrophobicContact CE1-CB 3.97Å
164	R	96.7	Very high	93.8	Very high	66 Å²	66	42 Å²	42	25%	0.249	22%	0.217	C	C	.	.	S	Bend	trans	-133.9	171.7	-172.6	-59.4	-61.6	-62.6	-129.7	6.5	111.6	V114 G115 F162 P166 E195 Y198 W199	V114-R164 HydrophobicContact CG1-CB 3.87Å; V114-R164 WeakPolarHBondContact CG1-O 3.38Å; G115-R164 WeakPolarHBondContact CA-O 3.46Å; G115-R164 PolarHBondContact N-O 3.34Å; F162-R164 HydrophobicContact CB-CG 4.22Å; F162-R164 PolarHBondContact O-N 2.98Å; R164-P166 WeakPolarHBondContact O-CD 2.99Å; R164-E195 IonicContact CZ-OE1 3.38Å; R164-E195 VanDerWaalsContact CZ-OE1 3.22Å; R164-E195 IonicContact CZ-OE2 3.04Å; R164-E195 IonicContact NE-OE1 3.7Å; R164-E195 PolarHBondContact NE-OE1 3.43Å; R164-E195 IonicContact NE-OE2 3.77Å; R164-E195 IonicContact NH2-OE1 3.57Å; R164-E195 PolarHBondContact NH2-OE1 3.05Å; R164-E195 IonicContact NH2-OE2 2.59Å; R164-Y198 HydrophobicContact CG-CD1 4.39Å; R164-Y198 HydrophobicContact CG-CE1 3.77Å; R164-Y198 VanDerWaalsContact NH1-CE2 3.25Å; R164-W199 HydrophobicContact CB-CZ2 4.26Å; R164-W199 HydrophobicContact CG-CZ2 4.37Å
165	N	95.9	Very high	94.2	Very high	59 Å²	59	39.6 Å²	39.6	32%	0.316	20%	0.204	S	C	.	.			trans	-72.8	110.6	-178.7	-173	-33.6	0	0	0	111.8	I167 I168 F169	N165-I167 VanDerWaalsContact C-N 3.3Å; N165-I167 PolarHBondContact O-N 2.69Å; N165-I167 WeakPolarHBondContact OD1-CB 3.41Å; N165-I167 PolarHBondContact OD1-N 3.29Å; N165-I168 HydrophobicContact CB-CB 4.46Å; N165-I168 HydrophobicContact CB-CD1 4.21Å; N165-I168 HydrophobicContact CB-CG1 4.43Å; N165-I168 PolarHBondContact O-N 2.84Å; N165-I168 PolarHBondContact OD1-N 3Å; N165-F169 PolarHBondContact O-N 3.2Å; N165-F169 VanDerWaalsContact O-N 3.12Å
166	P	96.8	Very high	94.8	Very high	24 Å²	24	39.1 Å²	39.1	16%	0.156	20%	0.201	C	C	.	.	H	α-helix	trans	-69.8	-26.4	-176.6	25.4	-32.3	0	0	0	114	V114 I117 R164 F169 S170	V114-P166 HydrophobicContact CB-CB 4.35Å; V114-P166 HydrophobicContact CG1-CB 4.33Å; V114-P166 WeakPolarHBondContact O-CB 3.44Å; I117-P166 HydrophobicContact CB-CB 3.77Å; I117-P166 HydrophobicContact CB-CG 4.35Å; I117-P166 HydrophobicContact CD1-CB 3.73Å; I117-P166 HydrophobicContact CD1-CG 3.62Å; I117-P166 HydrophobicContact CG1-CB 3.86Å; I117-P166 HydrophobicContact CG1-CG 3.89Å; R164-P166 WeakPolarHBondContact O-CD 2.99Å; P166-F169 PolarHBondContact O-N 2.75Å; P166-S170 PolarHBondContact O-N 3.49Å
167	I	94.7	Very high	95.4	Very high	107 Å²	107	39.7 Å²	39.7	55%	0.549	20%	0.196	S	C	.	.	H	α-helix	trans	-67	-45.4	-179.7	-61.6	166	0	0	0	109	N165 S170 I187	N165-I167 VanDerWaalsContact C-N 3.3Å; N165-I167 PolarHBondContact O-N 2.69Å; N165-I167 WeakPolarHBondContact OD1-CB 3.41Å; N165-I167 PolarHBondContact OD1-N 3.29Å; I167-S170 WeakPolarHBondContact O-CB 3.2Å; I167-S170 PolarHBondContact O-N 3.3Å; I167-S170 PolarHBondContact O-OG 3.12Å; I167-I187 HydrophobicContact CG2-CD1 3.93Å
168	I	96.8	Very high	95.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-67	-43.5	176	-63.8	172	0	0	0	110.6	N165 S170 N171 I172 I187 D191 F192 E195	N165-I168 HydrophobicContact CB-CB 4.46Å; N165-I168 HydrophobicContact CB-CD1 4.21Å; N165-I168 HydrophobicContact CB-CG1 4.43Å; N165-I168 PolarHBondContact O-N 2.84Å; N165-I168 PolarHBondContact OD1-N 3Å; I168-S170 PolarHBondContact O-N 3.09Å; I168-S170 VanDerWaalsContact O-N 3.16Å; I168-N171 WeakPolarHBondContact O-CB 3.28Å; I168-N171 PolarHBondContact O-N 3.24Å; I168-I172 PolarHBondContact O-N 2.86Å; I168-I187 HydrophobicContact CD1-CG2 3.72Å; I168-I187 HydrophobicContact CG1-CD1 3.98Å; I168-I187 HydrophobicContact CG1-CG2 3.67Å; I168-D191 HydrophobicContact CD1-CB 3.86Å; I168-F192 HydrophobicContact CG2-CD2 3.67Å; I168-F192 HydrophobicContact CG2-CE2 4.2Å; I168-E195 HydrophobicContact CB-CB 4.42Å; I168-E195 HydrophobicContact CB-CG 4.01Å; I168-E195 HydrophobicContact CD1-CG 3.75Å; I168-E195 HydrophobicContact CG1-CG 4.47Å; I168-E195 HydrophobicContact CG2-CB 3.44Å; I168-E195 VanDerWaalsContact CG2-CB 3.44Å; I168-E195 HydrophobicContact CG2-CG 3.57Å
169	F	97.9	Very high	95.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.3	-32	178.4	-178.7	-104.9	0	0	0	112.9	I112 V114 H119 L134 N165 P166 N171 I172 L173 W199	I112-F169 HydrophobicContact CD1-CZ 4.22Å; I112-F169 HydrophobicContact CG2-CE1 4.16Å; I112-F169 HydrophobicContact CG2-CZ 3.87Å; V114-F169 HydrophobicContact CB-CB 4.4Å; V114-F169 HydrophobicContact CB-CD1 4.16Å; V114-F169 HydrophobicContact CB-CG 4.29Å; V114-F169 HydrophobicContact CG1-CB 3.96Å; V114-F169 HydrophobicContact CG1-CG 4.25Å; V114-F169 HydrophobicContact CG2-CB 4.31Å; V114-F169 HydrophobicContact CG2-CD1 3.49Å; V114-F169 VanDerWaalsContact CG2-CD1 3.49Å; V114-F169 HydrophobicContact CG2-CD2 4.14Å; V114-F169 HydrophobicContact CG2-CE1 3.69Å; V114-F169 HydrophobicContact CG2-CE2 4.3Å; V114-F169 HydrophobicContact CG2-CG 3.71Å; V114-F169 HydrophobicContact CG2-CZ 4.09Å; H119-F169 HydrophobicContact CB-CD1 4.48Å; H119-F169 HydrophobicContact CB-CE1 3.87Å; H119-F169 AromaticContact CD2-CD1 3.5Å; H119-F169 VanDerWaalsContact CD2-CD1 3.5Å; H119-F169 WeakPolarHBondContact CD2-CD1 3.44Å; H119-F169 AromaticContact CD2-CE1 3.69Å; H119-F169 AromaticContact CG-CD1 3.86Å; H119-F169 AromaticContact CG-CE1 3.74Å; H119-F169 AromaticContact NE2-CD1 3.71Å; L134-F169 HydrophobicContact CD1-CE2 3.96Å; L134-F169 HydrophobicContact CD1-CZ 3.92Å; N165-F169 PolarHBondContact O-N 3.2Å; N165-F169 VanDerWaalsContact O-N 3.12Å; P166-F169 PolarHBondContact O-N 2.75Å; F169-N171 PolarHBondContact O-N 3Å; F169-I172 HydrophobicContact CD2-CB 4.17Å; F169-I172 HydrophobicContact CD2-CG2 4.31Å; F169-I172 HydrophobicContact CE2-CG2 4.4Å; F169-I172 CarbonylContact O-C 3.42Å; F169-I172 WeakPolarHBondContact O-CA 3.3Å; F169-I172 WeakPolarHBondContact O-CB 3.45Å; F169-I172 PolarHBondContact O-N 3.17Å; F169-L173 HydrophobicContact CE1-CB 4.29Å; F169-L173 HydrophobicContact CE1-CD1 4.08Å; F169-L173 HydrophobicContact CE1-CD2 4.46Å; F169-L173 HydrophobicContact CZ-CD1 4.07Å; F169-L173 WeakPolarHBondContact O-CB 3.46Å; F169-L173 PolarHBondContact O-N 3.44Å; F169-W199 HydrophobicContact CB-CZ2 4.48Å; F169-W199 AromaticContact CD2-CD2 3.95Å; F169-W199 HydrophobicContact CD2-CD2 3.95Å; F169-W199 AromaticContact CD2-CE2 3.46Å; F169-W199 VanDerWaalsContact CD2-CE2 3.46Å; F169-W199 HydrophobicContact CD2-CE3 4.24Å; F169-W199 AromaticContact CD2-CH2 3.66Å; F169-W199 HydrophobicContact CD2-CH2 3.66Å; F169-W199 AromaticContact CD2-CZ2 3.32Å; F169-W199 HydrophobicContact CD2-CZ2 3.32Å; F169-W199 HydrophobicContact CD2-CZ3 4.11Å; F169-W199 AromaticContact CD2-NE1 3.98Å; F169-W199 HydrophobicContact CE2-CD2 4.09Å; F169-W199 AromaticContact CE2-CE2 4Å; F169-W199 AromaticContact CE2-CE3 3.93Å; F169-W199 HydrophobicContact CE2-CE3 3.93Å; F169-W199 AromaticContact CE2-CH2 3.59Å; F169-W199 HydrophobicContact CE2-CH2 3.59Å; F169-W199 AromaticContact CE2-CZ2 3.78Å; F169-W199 HydrophobicContact CE2-CZ2 3.78Å; F169-W199 AromaticContact CE2-CZ3 3.68Å; F169-W199 HydrophobicContact CE2-CZ3 3.68Å; F169-W199 HydrophobicContact CG-CZ2 4.16Å
170	S	95.8	Very high	95.8	Very high	41 Å²	41	47 Å²	47	29%	0.287	23%	0.229	S	C	.	.	H	α-helix	trans	-56.2	-36.6	174.2	79.1	0	0	0	0	113	P166 I167 I168 N174	P166-S170 PolarHBondContact O-N 3.49Å; I167-S170 WeakPolarHBondContact O-CB 3.2Å; I167-S170 PolarHBondContact O-N 3.3Å; I167-S170 PolarHBondContact O-OG 3.12Å; I168-S170 PolarHBondContact O-N 3.09Å; I168-S170 VanDerWaalsContact O-N 3.16Å; S170-N174 WeakPolarHBondContact O-CB 3.5Å; S170-N174 PolarHBondContact O-N 3.01Å; S170-N174 PolarHBondContact O-ND2 3.46Å
171	N	94.6	Very high	95.9	Very high	26 Å²	26	46.8 Å²	46.8	14%	0.139	23%	0.229	C	C	.	.	H	α-helix	trans	-70.7	-40.3	175.1	-64.2	-32.3	0	0	0	111.5	I168 F169 L173 N174 F175 F192	I168-N171 WeakPolarHBondContact O-CB 3.28Å; I168-N171 PolarHBondContact O-N 3.24Å; F169-N171 PolarHBondContact O-N 3Å; N171-L173 VanDerWaalsContact C-N 3.35Å; N171-N174 PolarHBondContact O-N 3Å; N171-F175 PolarHBondContact O-N 2.94Å; N171-F192 HydrophobicContact CB-CE2 4.01Å
172	I	97.5	Very high	95.8	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.5	-45.8	174.6	-56.3	-59.9	0	0	0	110.4	I168 F169 N174 F175 Y176 L196 W199 V201	I168-I172 PolarHBondContact O-N 2.86Å; F169-I172 HydrophobicContact CD2-CB 4.17Å; F169-I172 HydrophobicContact CD2-CG2 4.31Å; F169-I172 HydrophobicContact CE2-CG2 4.4Å; F169-I172 CarbonylContact O-C 3.42Å; F169-I172 WeakPolarHBondContact O-CA 3.3Å; F169-I172 WeakPolarHBondContact O-CB 3.45Å; F169-I172 PolarHBondContact O-N 3.17Å; I172-N174 VanDerWaalsContact C-N 3.33Å; I172-N174 PolarHBondContact O-N 3.39Å; I172-F175 VanDerWaalsContact O-CB 3.3Å; I172-F175 WeakPolarHBondContact O-CB 3.35Å; I172-F175 PolarHBondContact O-N 2.67Å; I172-F175 VanDerWaalsContact O-N 3.13Å; I172-Y176 HydrophobicContact CG2-CE2 3.94Å; I172-Y176 WeakPolarHBondContact O-CD2 3.42Å; I172-Y176 PolarHBondContact O-N 2.97Å; I172-L196 HydrophobicContact CD1-CD2 3.48Å; I172-L196 VanDerWaalsContact CD1-CD2 3.48Å; I172-L196 HydrophobicContact CD1-CG 4.35Å; I172-W199 HydrophobicContact CG1-CG 4.28Å; I172-W199 HydrophobicContact CG2-CB 3.97Å; I172-W199 HydrophobicContact CG2-CD2 4.45Å; I172-W199 HydrophobicContact CG2-CG 3.93Å; I172-V201 HydrophobicContact CG2-CG2 4.06Å
173	L	97.1	Very high	95.7	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-62.6	-41.2	177.2	-164.5	69.7	0	0	0	111.8	H119 I121 F169 N171 F175 Y176 R177	H119-L173 HydrophobicContact CB-CD2 3.85Å; I121-L173 HydrophobicContact CB-CD1 3.95Å; I121-L173 HydrophobicContact CD1-CD1 3.65Å; I121-L173 HydrophobicContact CD1-CG 4.41Å; I121-L173 HydrophobicContact CG1-CD1 4.37Å; I121-L173 HydrophobicContact CG2-CD1 4.16Å; F169-L173 HydrophobicContact CE1-CB 4.29Å; F169-L173 HydrophobicContact CE1-CD1 4.08Å; F169-L173 HydrophobicContact CE1-CD2 4.46Å; F169-L173 HydrophobicContact CZ-CD1 4.07Å; F169-L173 WeakPolarHBondContact O-CB 3.46Å; F169-L173 PolarHBondContact O-N 3.44Å; N171-L173 VanDerWaalsContact C-N 3.35Å; L173-F175 VanDerWaalsContact C-N 3.27Å; L173-F175 PolarHBondContact O-N 3.38Å; L173-Y176 PolarHBondContact O-N 3.35Å; L173-R177 PolarHBondContact O-N 3.42Å
174	N	95.2	Very high	95.5	Very high	74 Å²	74	44.6 Å²	44.6	40%	0.396	22%	0.219	S	C	.	.	H	α-helix	trans	-64.9	-30.7	175.4	-75.3	-25	0	0	0	112.5	S170 N171 I172 R177 S178	S170-N174 WeakPolarHBondContact O-CB 3.5Å; S170-N174 PolarHBondContact O-N 3.01Å; S170-N174 PolarHBondContact O-ND2 3.46Å; N171-N174 PolarHBondContact O-N 3Å; I172-N174 VanDerWaalsContact C-N 3.33Å; I172-N174 PolarHBondContact O-N 3.39Å; N174-R177 PolarHBondContact O-N 3.04Å; N174-S178 VanDerWaalsContact O-CB 3.3Å; N174-S178 WeakPolarHBondContact O-CB 3.48Å; N174-S178 PolarHBondContact O-N 3.33Å; N174-S178 PolarHBondContact O-OG 3.25Å
175	F	96.6	Very high	95.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-46.1	171.5	157.7	-99.7	0	0	0	111.9	Y129 N171 I172 L173 R177 K179 L181 V201 F205	Y129-F175 HydrophobicContact CD1-CE1 4.33Å; Y129-F175 AromaticContact CD1-CZ 3.91Å; Y129-F175 HydrophobicContact CD1-CZ 3.91Å; Y129-F175 AromaticContact CD2-CE1 3.82Å; Y129-F175 HydrophobicContact CD2-CE1 3.82Å; Y129-F175 HydrophobicContact CD2-CZ 4.01Å; Y129-F175 HydrophobicContact CE1-CE1 4.33Å; Y129-F175 HydrophobicContact CE1-CE2 4.3Å; Y129-F175 AromaticContact CE1-CZ 3.57Å; Y129-F175 HydrophobicContact CE1-CZ 3.57Å; Y129-F175 AromaticContact CE2-CE1 3.8Å; Y129-F175 HydrophobicContact CE2-CE1 3.8Å; Y129-F175 HydrophobicContact CE2-CE2 4.32Å; Y129-F175 AromaticContact CE2-CZ 3.65Å; Y129-F175 HydrophobicContact CE2-CZ 3.65Å; Y129-F175 HydrophobicContact CG-CE1 4.08Å; Y129-F175 HydrophobicContact CG-CZ 4.12Å; Y129-F175 AromaticContact CZ-CE2 3.91Å; Y129-F175 AromaticContact CZ-CZ 3.42Å; Y129-F175 VanDerWaalsContact CZ-CZ 3.42Å; N171-F175 PolarHBondContact O-N 2.94Å; I172-F175 VanDerWaalsContact O-CB 3.3Å; I172-F175 WeakPolarHBondContact O-CB 3.35Å; I172-F175 PolarHBondContact O-N 2.67Å; I172-F175 VanDerWaalsContact O-N 3.13Å; L173-F175 VanDerWaalsContact C-N 3.27Å; L173-F175 PolarHBondContact O-N 3.38Å; F175-R177 VanDerWaalsContact C-N 3.34Å; F175-R177 PolarHBondContact O-N 3.45Å; F175-K179 WeakPolarHBondContact O-CA 3.3Å; F175-K179 PolarHBondContact O-N 2.9Å; F175-L181 HydrophobicContact CB-CB 4.43Å; F175-L181 HydrophobicContact CB-CD1 3.97Å; F175-L181 HydrophobicContact CD2-CB 3.94Å; F175-L181 HydrophobicContact CG-CB 4.48Å; F175-V201 HydrophobicContact CD1-CG1 3.82Å; F175-V201 HydrophobicContact CD1-CG2 3.99Å; F175-V201 HydrophobicContact CD2-CG1 4.46Å; F175-V201 HydrophobicContact CE1-CG1 3.77Å; F175-V201 HydrophobicContact CE1-CG2 4.03Å; F175-V201 HydrophobicContact CE2-CG1 4.42Å; F175-V201 HydrophobicContact CG-CG1 4.17Å; F175-V201 HydrophobicContact CZ-CG1 4.07Å; F175-F205 HydrophobicContact CD2-CB 4.27Å; F175-F205 HydrophobicContact CE2-CB 3.67Å; F175-F205 AromaticContact CE2-CD1 3.98Å; F175-F205 HydrophobicContact CE2-CD1 3.98Å; F175-F205 AromaticContact CE2-CD2 3.95Å; F175-F205 HydrophobicContact CE2-CD2 3.95Å; F175-F205 AromaticContact CE2-CG 3.6Å; F175-F205 HydrophobicContact CE2-CG 3.6Å; F175-F205 HydrophobicContact CZ-CB 4.4Å; F175-F205 HydrophobicContact CZ-CD1 4.39Å; F175-F205 AromaticContact CZ-CD2 3.83Å; F175-F205 HydrophobicContact CZ-CD2 3.83Å; F175-F205 HydrophobicContact CZ-CE2 4.18Å; F175-F205 AromaticContact CZ-CG 3.96Å; F175-F205 HydrophobicContact CZ-CG 3.96Å
176	Y	97.2	Very high	94.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.2	-46	175.7	-72.1	-85.3	0	0	0	111.7	I121 I125 V126 Y129 T132 L134 I172 L173	I121-Y176 HydrophobicContact CD1-CG 4.25Å; I125-Y176 VanDerWaalsContact CG2-C 3.45Å; I125-Y176 WeakPolarHBondContact CG2-O 3.46Å; V126-Y176 HydrophobicContact CG1-CE1 4.36Å; Y129-Y176 AromaticContact CD2-CD1 3.8Å; Y129-Y176 HydrophobicContact CD2-CD1 3.8Å; Y129-Y176 HydrophobicContact CD2-CE1 4.09Å; T132-Y176 WeakPolarHBondContact CB-OH 3.5Å; T132-Y176 HydrophobicContact CG2-CE1 4.39Å; T132-Y176 WeakPolarHBondContact CG2-OH 3.35Å; T132-Y176 PolarHBondContact OG1-OH 3.12Å; L134-Y176 HydrophobicContact CD1-CD2 4.44Å; L134-Y176 HydrophobicContact CD1-CE2 3.83Å; I172-Y176 HydrophobicContact CG2-CE2 3.94Å; I172-Y176 WeakPolarHBondContact O-CD2 3.42Å; I172-Y176 PolarHBondContact O-N 2.97Å; L173-Y176 PolarHBondContact O-N 3.35Å
177	R	95.9	Very high	94.8	Very high	117 Å²	117	50.8 Å²	50.8	44%	0.442	25%	0.252	S	S	.	.	H	α-helix	trans	-66.8	-49.2	-177.2	-68.3	173.1	175.8	168.8	-4.3	112.6	E120 I121 L173 N174 F175	E120-R177 PolarHBondContact O-NH2 3.4Å; I121-R177 HydrophobicContact CD1-CG 4.35Å; L173-R177 PolarHBondContact O-N 3.42Å; N174-R177 PolarHBondContact O-N 3.04Å; F175-R177 VanDerWaalsContact C-N 3.34Å; F175-R177 PolarHBondContact O-N 3.45Å
178	S	93.9	Very high	94.8	Very high	57 Å²	57	48.2 Å²	48.2	40%	0.399	24%	0.243	S	C	.	.	H	α-helix	trans	-93.4	-16.7	-171.5	70.6	0	0	0	0	114.4	N174 K180	N174-S178 VanDerWaalsContact O-CB 3.3Å; N174-S178 WeakPolarHBondContact O-CB 3.48Å; N174-S178 PolarHBondContact O-N 3.33Å; N174-S178 PolarHBondContact O-OG 3.25Å; S178-K180 PolarHBondContact O-N 3.11Å; S178-K180 PolarHBondContact OG-N 3.02Å; S178-K180 VanDerWaalsContact OG-N 3.12Å; S178-K180 PolarHBondContact OG-O 2.93Å; S178-K180 VanDerWaalsContact OG-O 3.11Å
179	K	91.7	Very high	94.7	Very high	116 Å²	116	48.2 Å²	48.2	50%	0.504	24%	0.243	S	C	.	.	S	Bend	trans	60.8	22.5	-167.8	-47.4	176.5	-176.8	179.5	0	113.4	F175	F175-K179 WeakPolarHBondContact O-CA 3.3Å; F175-K179 PolarHBondContact O-N 2.9Å
180	K	91.4	Very high	94.6	Very high	107 Å²	107	49.7 Å²	49.7	47%	0.465	25%	0.25	S	S	.	.			trans	-131.8	122.8	-179.9	-54.8	-169.2	-178	173.8	0	108.8	S178 H182 K207	S178-K180 PolarHBondContact O-N 3.11Å; S178-K180 PolarHBondContact OG-N 3.02Å; S178-K180 VanDerWaalsContact OG-N 3.12Å; S178-K180 PolarHBondContact OG-O 2.93Å; S178-K180 VanDerWaalsContact OG-O 3.11Å; K180-H182 WeakPolarHBondContact CB-NE2 3.4Å; K180-K207 HydrophobicContact CB-CG 3.82Å; K180-K207 HydrophobicContact CD-CG 4.38Å; K180-K207 HydrophobicContact CG-CD 4.46Å; K180-K207 VanDerWaalsContact CG-CE 3.47Å; K180-K207 HydrophobicContact CG-CG 4.22Å
181	L	96	Very high	94.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-91.1	124.2	174	-176.3	62.5	0	0	0	109.1	F175 F192 L196 V201 F205 I206 K207	F175-L181 HydrophobicContact CB-CB 4.43Å; F175-L181 HydrophobicContact CB-CD1 3.97Å; F175-L181 HydrophobicContact CD2-CB 3.94Å; F175-L181 HydrophobicContact CG-CB 4.48Å; L181-F192 HydrophobicContact CD1-CZ 4.01Å; L181-F192 HydrophobicContact CG-CZ 4.45Å; L181-L196 HydrophobicContact CD1-CD2 3.96Å; L181-L196 HydrophobicContact CD2-CD1 4.05Å; L181-L196 HydrophobicContact CD2-CD2 3.49Å; L181-L196 VanDerWaalsContact CD2-CD2 3.49Å; L181-L196 HydrophobicContact CD2-CG 4.47Å; L181-L196 HydrophobicContact CG-CD2 4.34Å; L181-V201 HydrophobicContact CD2-CG1 3.97Å; L181-F205 HydrophobicContact CB-CB 4.11Å; L181-F205 WeakPolarHBondContact CB-O 3.47Å; L181-F205 HydrophobicContact CD2-CB 4.42Å; L181-F205 PolarHBondContact N-O 3.08Å; L181-I206 HydrophobicContact CB-CG1 4.44Å; L181-I206 HydrophobicContact CD2-CD1 4.42Å; L181-I206 HydrophobicContact CD2-CG1 3.49Å; L181-I206 VanDerWaalsContact CD2-CG1 3.49Å; L181-I206 HydrophobicContact CG-CG1 3.92Å; L181-K207 PolarHBondContact O-N 3.16Å; L181-K207 VanDerWaalsContact O-N 3.07Å
182	H	95.6	Very high	94.8	Very high	77 Å²	77	49.9 Å²	49.9	36%	0.356	25%	0.248	S	C	.	.			trans	-119.5	138.6	178.9	-69.9	-76.9	0	0	0	109.3	K180 C209 C210	K180-H182 WeakPolarHBondContact CB-NE2 3.4Å; H182-C209 PolarHBondContact CE1-SG 3.36Å; H182-C210 PolarHBondContact ND1-SG 3.38Å; H182-C210 VanDerWaalsContact ND1-SG 3.41Å
183	Y	95	Very high	94.7	Very high	7 Å²	7	52.8 Å²	52.8	3%	0.027	26%	0.261	C	S	.	.			trans	-94.8	140.7	175	171.5	-123.1	0	0	0	109.7	I187 V189 F192 R213 Y214 Q217	Y183-I187 PolarHBondContact OH-O 3.07Å; Y183-I187 VanDerWaalsContact OH-O 3.06Å; Y183-V189 HydrophobicContact CE1-CG2 4.41Å; Y183-V189 HydrophobicContact CE2-CB 4.26Å; Y183-V189 HydrophobicContact CE2-CG2 4.12Å; Y183-V189 WeakPolarHBondContact OH-CB 3.42Å; Y183-F192 HydrophobicContact CD2-CB 4.4Å; Y183-F192 AromaticContact CD2-CD1 3.56Å; Y183-F192 HydrophobicContact CD2-CD1 3.56Å; Y183-F192 AromaticContact CD2-CE1 3.9Å; Y183-F192 HydrophobicContact CD2-CE1 3.9Å; Y183-F192 AromaticContact CD2-CG 3.93Å; Y183-F192 HydrophobicContact CD2-CG 3.93Å; Y183-F192 HydrophobicContact CE2-CB 4.24Å; Y183-F192 HydrophobicContact CE2-CD1 4.2Å; Y183-F192 HydrophobicContact CE2-CG 4.27Å; Y183-F192 HydrophobicContact CG-CD1 4.47Å; Y183-F192 HydrophobicContact CG-CE1 4.48Å; Y183-R213 VanDerWaalsContact CD1-NH1 3.27Å; Y183-R213 VanDerWaalsContact CE1-NH1 3.3Å; Y183-R213 PolarHBondContact O-NH2 3.01Å; Y183-Y214 HydrophobicContact CD1-CD2 4.31Å; Y183-Y214 HydrophobicContact CD2-CD2 4.06Å; Y183-Y214 HydrophobicContact CE2-CD2 4.47Å; Y183-Y214 AromaticContact CG-CD2 3.99Å; Y183-Y214 HydrophobicContact CG-CD2 3.99Å; Y183-Q217 VanDerWaalsContact CE1-OE1 3.31Å; Y183-Q217 VanDerWaalsContact CZ-OE1 3.32Å; Y183-Q217 PolarHBondContact OH-OE1 3.42Å
184	N	92.4	Very high	94.7	Very high	56 Å²	56	58.2 Å²	58.2	30%	0.299	29%	0.286	S	S	.	.			trans	-107.8	122.6	175.5	-177.9	-12.2	0	0	0	108.9	M186 I187	N184-M186 PolarHBondContact O-N 2.94Å; N184-M186 WeakPolarHBondContact OD1-CB 3.48Å; N184-M186 WeakPolarHBondContact OD1-CG 3.42Å; N184-M186 PolarHBondContact OD1-N 2.63Å; N184-I187 HydrophobicContact CB-CD1 4.11Å; N184-I187 HydrophobicContact CB-CG1 4.38Å; N184-I187 PolarHBondContact O-N 3.08Å
185	D	89.1	Confident	94.8	Very high	90 Å²	90	55.3 Å²	55.3	48%	0.481	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.1	-178.3	25	27.3	0	0	0	114.3	I187 R213	D185-I187 PolarHBondContact O-N 3.18Å; D185-R213 VanDerWaalsContact CG-NH1 3.29Å; D185-R213 IonicContact OD1-NH1 3.46Å; D185-R213 IonicContact OD2-CZ 3.22Å; D185-R213 IonicContact OD2-NE 2.67Å; D185-R213 IonicContact OD2-NH1 2.69Å; D185-R213 PolarHBondContact OD2-NH1 2.57Å
186	M	92.6	Very high	94.9	Very high	165 Å²	165	55.3 Å²	55.3	81%	0.813	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-3.3	-179.5	-56	-60.6	-79.6	0	0	112.7	N184	N184-M186 PolarHBondContact O-N 2.94Å; N184-M186 WeakPolarHBondContact OD1-CB 3.48Å; N184-M186 WeakPolarHBondContact OD1-CG 3.42Å; N184-M186 PolarHBondContact OD1-N 2.63Å
187	I	93.2	Very high	94.9	Very high	24 Å²	24	64.9 Å²	64.9	12%	0.123	31%	0.308	C	S	.	.	S	Bend	trans	-113.3	149.4	-177.2	-52.7	176.7	0	0	0	109.1	I167 I168 Y183 N184 D185 V189	I167-I187 HydrophobicContact CG2-CD1 3.93Å; I168-I187 HydrophobicContact CD1-CG2 3.72Å; I168-I187 HydrophobicContact CG1-CD1 3.98Å; I168-I187 HydrophobicContact CG1-CG2 3.67Å; Y183-I187 PolarHBondContact OH-O 3.07Å; Y183-I187 VanDerWaalsContact OH-O 3.06Å; N184-I187 HydrophobicContact CB-CD1 4.11Å; N184-I187 HydrophobicContact CB-CG1 4.38Å; N184-I187 PolarHBondContact O-N 3.08Å; D185-I187 PolarHBondContact O-N 3.18Å; I187-V189 PolarHBondContact O-N 3.18Å
188	C	94.6	Very high	95	Very high	53 Å²	53	61.3 Å²	61.3	36%	0.358	30%	0.295	S	S	.	.			trans	-57.4	126.3	168.3	-179.7	0	0	0	0	110.9	I190 D191 F192	C188-I190 VanDerWaalsContact C-N 3.28Å; C188-I190 PolarHBondContact O-N 3.49Å; C188-D191 HydrophobicContact CB-CB 4.03Å; C188-D191 WeakPolarHBondContact CB-OD2 3.46Å; C188-D191 PolarHBondContact O-N 2.81Å; C188-D191 PolarHBondContact SG-OD1 2.89Å; C188-F192 PolarHBondContact O-N 3.13Å
189	V	95.7	Very high	95.2	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-67.4	-29.7	-179	69	0	0	0	0	112.5	Y183 I187 F192 K193 Y214 Q217 I218 I221	Y183-V189 HydrophobicContact CE1-CG2 4.41Å; Y183-V189 HydrophobicContact CE2-CB 4.26Å; Y183-V189 HydrophobicContact CE2-CG2 4.12Å; Y183-V189 WeakPolarHBondContact OH-CB 3.42Å; I187-V189 PolarHBondContact O-N 3.18Å; V189-F192 PolarHBondContact O-N 3.41Å; V189-K193 WeakPolarHBondContact O-CB 3.17Å; V189-K193 PolarHBondContact O-N 3.48Å; V189-Y214 HydrophobicContact CG2-CD2 3.42Å; V189-Y214 VanDerWaalsContact CG2-CD2 3.42Å; V189-Y214 HydrophobicContact CG2-CE2 3.46Å; V189-Y214 VanDerWaalsContact CG2-CE2 3.46Å; V189-Y214 HydrophobicContact CG2-CG 4.39Å; V189-Q217 HydrophobicContact CB-CB 4.13Å; V189-Q217 HydrophobicContact CG1-CB 3.94Å; V189-Q217 HydrophobicContact CG2-CB 4.14Å; V189-I218 HydrophobicContact CB-CD1 4.23Å; V189-I218 HydrophobicContact CG1-CD1 3.92Å; V189-I218 HydrophobicContact CG1-CG1 4.43Å; V189-I218 HydrophobicContact CG2-CD1 3.58Å; V189-I218 HydrophobicContact CG2-CG1 3.67Å; V189-I221 HydrophobicContact CG1-CD1 3.55Å; V189-I221 HydrophobicContact CG1-CG1 4.36Å
190	I	95.8	Very high	95.4	Very high	30 Å²	30	55 Å²	55	15%	0.154	27%	0.272	C	S	.	.	H	α-helix	trans	-69	-49.3	176.9	-55.9	-61.7	0	0	0	109.5	C188 F192 K193 E194 I218 I221	C188-I190 VanDerWaalsContact C-N 3.28Å; C188-I190 PolarHBondContact O-N 3.49Å; I190-F192 VanDerWaalsContact C-N 3.27Å; I190-F192 PolarHBondContact O-N 3.23Å; I190-K193 WeakPolarHBondContact O-CA 3.23Å; I190-K193 WeakPolarHBondContact O-CB 3.34Å; I190-K193 PolarHBondContact O-N 3.1Å; I190-E194 PolarHBondContact O-N 3.5Å; I190-I218 HydrophobicContact CD1-CD1 3.97Å; I190-I221 HydrophobicContact CD1-CB 4.45Å; I190-I221 HydrophobicContact CD1-CG2 4.04Å; I190-I221 HydrophobicContact CG1-CB 4.49Å; I190-I221 HydrophobicContact CG1-CG2 3.74Å
191	D	96.5	Very high	95.7	Very high	71 Å²	71	50.1 Å²	50.1	38%	0.38	25%	0.251	S	S	.	.	H	α-helix	trans	-58.2	-41.8	175.2	-54.9	7.6	0	0	0	110.8	I168 C188 K193 E194 E195	I168-D191 HydrophobicContact CD1-CB 3.86Å; C188-D191 HydrophobicContact CB-CB 4.03Å; C188-D191 WeakPolarHBondContact CB-OD2 3.46Å; C188-D191 PolarHBondContact O-N 2.81Å; C188-D191 PolarHBondContact SG-OD1 2.89Å; D191-K193 VanDerWaalsContact C-N 3.34Å; D191-K193 PolarHBondContact O-N 3.23Å; D191-E194 PolarHBondContact O-N 3.39Å; D191-E195 WeakPolarHBondContact O-CB 3.35Å; D191-E195 VanDerWaalsContact O-CG 3.23Å; D191-E195 WeakPolarHBondContact O-CG 3.45Å; D191-E195 PolarHBondContact O-N 3.33Å
192	F	97.3	Very high	95.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.2	-41.6	176.1	-173.8	-110.8	0	0	0	112.2	I168 N171 L181 Y183 C188 V189 I190 E195 L196 Y214	I168-F192 HydrophobicContact CG2-CD2 3.67Å; I168-F192 HydrophobicContact CG2-CE2 4.2Å; N171-F192 HydrophobicContact CB-CE2 4.01Å; L181-F192 HydrophobicContact CD1-CZ 4.01Å; L181-F192 HydrophobicContact CG-CZ 4.45Å; Y183-F192 HydrophobicContact CD2-CB 4.4Å; Y183-F192 AromaticContact CD2-CD1 3.56Å; Y183-F192 HydrophobicContact CD2-CD1 3.56Å; Y183-F192 AromaticContact CD2-CE1 3.9Å; Y183-F192 HydrophobicContact CD2-CE1 3.9Å; Y183-F192 AromaticContact CD2-CG 3.93Å; Y183-F192 HydrophobicContact CD2-CG 3.93Å; Y183-F192 HydrophobicContact CE2-CB 4.24Å; Y183-F192 HydrophobicContact CE2-CD1 4.2Å; Y183-F192 HydrophobicContact CE2-CG 4.27Å; Y183-F192 HydrophobicContact CG-CD1 4.47Å; Y183-F192 HydrophobicContact CG-CE1 4.48Å; C188-F192 PolarHBondContact O-N 3.13Å; V189-F192 PolarHBondContact O-N 3.41Å; I190-F192 VanDerWaalsContact C-N 3.27Å; I190-F192 PolarHBondContact O-N 3.23Å; F192-E195 PolarHBondContact O-N 2.91Å; F192-L196 HydrophobicContact CD1-CD1 3.95Å; F192-L196 HydrophobicContact CD1-CG 4.4Å; F192-L196 HydrophobicContact CE1-CD1 3.65Å; F192-L196 HydrophobicContact CE1-CD2 4.48Å; F192-L196 HydrophobicContact CE1-CG 4.14Å; F192-L196 HydrophobicContact CZ-CD1 4.23Å; F192-L196 HydrophobicContact CZ-CD2 4.25Å; F192-L196 HydrophobicContact CZ-CG 4.3Å; F192-L196 WeakPolarHBondContact O-CG 3.32Å; F192-L196 PolarHBondContact O-N 2.99Å; F192-Y214 HydrophobicContact CD1-CD2 4.07Å; F192-Y214 AromaticContact CD1-CE2 3.7Å; F192-Y214 HydrophobicContact CD1-CE2 3.7Å; F192-Y214 HydrophobicContact CE1-CD2 4.45Å; F192-Y214 HydrophobicContact CE1-CE2 4.31Å
193	K	96.6	Very high	95.5	Very high	62 Å²	62	53.2 Å²	53.2	27%	0.27	27%	0.268	S	S	.	.	H	α-helix	trans	-62.9	-46.1	175.5	-175.8	174.8	175.9	-179.2	0	111.8	V189 I190 D191 E195 L196 Y197 E203 Y214 I218 E222	V189-K193 WeakPolarHBondContact O-CB 3.17Å; V189-K193 PolarHBondContact O-N 3.48Å; I190-K193 WeakPolarHBondContact O-CA 3.23Å; I190-K193 WeakPolarHBondContact O-CB 3.34Å; I190-K193 PolarHBondContact O-N 3.1Å; D191-K193 VanDerWaalsContact C-N 3.34Å; D191-K193 PolarHBondContact O-N 3.23Å; K193-E195 VanDerWaalsContact C-N 3.32Å; K193-E195 PolarHBondContact O-N 3.31Å; K193-L196 WeakPolarHBondContact O-CB 3.42Å; K193-L196 PolarHBondContact O-N 2.79Å; K193-Y197 PolarHBondContact O-N 3.48Å; K193-E203 WeakPolarHBondContact CG-OE1 3.41Å; K193-Y214 WeakPolarHBondContact CB-OH 3.16Å; K193-Y214 WeakPolarHBondContact CG-OH 3.3Å; K193-I218 HydrophobicContact CB-CD1 4.26Å; K193-I218 HydrophobicContact CD-CD1 3.75Å; K193-E222 IonicContact NZ-OE1 3.44Å; K193-E222 PolarHBondContact NZ-OE1 3.38Å; K193-E222 VanDerWaalsContact NZ-OE1 3.07Å
194	E	97.3	Very high	95.3	Very high	115 Å²	115	59.9 Å²	59.9	54%	0.537	30%	0.304	S	S	.	.	H	α-helix	trans	-63.5	-38.6	177.6	-70.7	-179.5	-179.6	0	0	112.1	I190 D191 Y197 Y198	I190-E194 PolarHBondContact O-N 3.5Å; D191-E194 PolarHBondContact O-N 3.39Å; E194-Y197 PolarHBondContact O-N 3.07Å; E194-Y198 WeakPolarHBondContact O-CB 3.33Å; E194-Y198 PolarHBondContact O-N 3.42Å
195	E	97.4	Very high	95.3	Very high	13 Å²	13	61.5 Å²	61.5	6%	0.061	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-44.2	173.6	-71	-68.5	149.9	0	0	111.3	R164 I168 D191 F192 K193 Y197 Y198 W199	R164-E195 IonicContact CZ-OE1 3.38Å; R164-E195 VanDerWaalsContact CZ-OE1 3.22Å; R164-E195 IonicContact CZ-OE2 3.04Å; R164-E195 IonicContact NE-OE1 3.7Å; R164-E195 PolarHBondContact NE-OE1 3.43Å; R164-E195 IonicContact NE-OE2 3.77Å; R164-E195 IonicContact NH2-OE1 3.57Å; R164-E195 PolarHBondContact NH2-OE1 3.05Å; R164-E195 IonicContact NH2-OE2 2.59Å; I168-E195 HydrophobicContact CB-CB 4.42Å; I168-E195 HydrophobicContact CB-CG 4.01Å; I168-E195 HydrophobicContact CD1-CG 3.75Å; I168-E195 HydrophobicContact CG1-CG 4.47Å; I168-E195 HydrophobicContact CG2-CB 3.44Å; I168-E195 VanDerWaalsContact CG2-CB 3.44Å; I168-E195 HydrophobicContact CG2-CG 3.57Å; D191-E195 WeakPolarHBondContact O-CB 3.35Å; D191-E195 VanDerWaalsContact O-CG 3.23Å; D191-E195 WeakPolarHBondContact O-CG 3.45Å; D191-E195 PolarHBondContact O-N 3.33Å; F192-E195 PolarHBondContact O-N 2.91Å; K193-E195 VanDerWaalsContact C-N 3.32Å; K193-E195 PolarHBondContact O-N 3.31Å; E195-Y197 VanDerWaalsContact C-N 3.27Å; E195-Y197 PolarHBondContact O-N 3.02Å; E195-Y198 PolarHBondContact O-N 2.79Å; E195-W199 WeakPolarHBondContact O-CB 3.33Å; E195-W199 PolarHBondContact O-N 3.36Å; E195-W199 PolarHBondContact OE2-NE1 2.92Å
196	L	97.5	Very high	95.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-55.1	-45.4	173.9	-74	176.1	0	0	0	111.7	I172 L181 F192 K193 G200 V201 E203 I206	I172-L196 HydrophobicContact CD1-CD2 3.48Å; I172-L196 VanDerWaalsContact CD1-CD2 3.48Å; I172-L196 HydrophobicContact CD1-CG 4.35Å; L181-L196 HydrophobicContact CD1-CD2 3.96Å; L181-L196 HydrophobicContact CD2-CD1 4.05Å; L181-L196 HydrophobicContact CD2-CD2 3.49Å; L181-L196 VanDerWaalsContact CD2-CD2 3.49Å; L181-L196 HydrophobicContact CD2-CG 4.47Å; L181-L196 HydrophobicContact CG-CD2 4.34Å; F192-L196 HydrophobicContact CD1-CD1 3.95Å; F192-L196 HydrophobicContact CD1-CG 4.4Å; F192-L196 HydrophobicContact CE1-CD1 3.65Å; F192-L196 HydrophobicContact CE1-CD2 4.48Å; F192-L196 HydrophobicContact CE1-CG 4.14Å; F192-L196 HydrophobicContact CZ-CD1 4.23Å; F192-L196 HydrophobicContact CZ-CD2 4.25Å; F192-L196 HydrophobicContact CZ-CG 4.3Å; F192-L196 WeakPolarHBondContact O-CG 3.32Å; F192-L196 PolarHBondContact O-N 2.99Å; K193-L196 WeakPolarHBondContact O-CB 3.42Å; K193-L196 PolarHBondContact O-N 2.79Å; L196-G200 PolarHBondContact O-N 3.31Å; L196-V201 HydrophobicContact CD2-CB 3.83Å; L196-V201 HydrophobicContact CD2-CG1 3.84Å; L196-V201 PolarHBondContact O-N 3.28Å; L196-E203 HydrophobicContact CD1-CG 3.88Å; L196-I206 HydrophobicContact CD1-CD1 4.38Å
197	Y	97.5	Very high	95.7	Very high	201 Å²	201	54.1 Å²	54.1	79%	0.788	27%	0.268	S	S	*	.	H	α-helix	trans	-61.8	-48.5	175.5	-178.5	-100	0	0	0	111.9	K193 E194 E195 W199 G200	K193-Y197 PolarHBondContact O-N 3.48Å; E194-Y197 PolarHBondContact O-N 3.07Å; E195-Y197 VanDerWaalsContact C-N 3.27Å; E195-Y197 PolarHBondContact O-N 3.02Å; Y197-W199 PolarHBondContact O-N 2.98Å; Y197-G200 PolarHBondContact O-N 3.36Å; Y197-G200 VanDerWaalsContact O-N 3.1Å
198	Y	97.3	Very high	95.7	Very high	42 Å²	42	58.2 Å²	58.2	17%	0.165	30%	0.299	C	S	.	.	H	α-helix	trans	-60	-45.4	179.8	175.3	-99.9	0	0	0	112.8	R133 F162 R164 E194 E195 G200	R133-Y198 PolarHBondContact NE-O 3.05Å; F162-Y198 HydrophobicContact CD1-CE1 4.35Å; R164-Y198 HydrophobicContact CG-CD1 4.39Å; R164-Y198 HydrophobicContact CG-CE1 3.77Å; R164-Y198 VanDerWaalsContact NH1-CE2 3.25Å; E194-Y198 WeakPolarHBondContact O-CB 3.33Å; E194-Y198 PolarHBondContact O-N 3.42Å; E195-Y198 PolarHBondContact O-N 2.79Å; Y198-G200 PolarHBondContact O-N 3.33Å
199	W	97.8	Very high	95.7	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-76.3	-10.6	178.2	-65.2	110	0	0	0	113.1	V114 R133 L134 F162 R164 F169 I172 E195 Y197 V201	V114-W199 HydrophobicContact CG1-CZ2 4.43Å; V114-W199 HydrophobicContact CG2-CH2 4.26Å; V114-W199 HydrophobicContact CG2-CZ2 4.48Å; R133-W199 HydrophobicContact CB-CE3 4.3Å; R133-W199 HydrophobicContact CG-CE3 4.47Å; R133-W199 PolarHBondContact N-O 3.15Å; L134-W199 HydrophobicContact CD2-CE3 4.34Å; L134-W199 HydrophobicContact CD2-CZ3 3.86Å; L134-W199 HydrophobicContact CG-CE3 4.28Å; L134-W199 HydrophobicContact CG-CZ3 4.28Å; F162-W199 HydrophobicContact CB-CH2 4Å; F162-W199 AromaticContact CD1-CH2 3.63Å; F162-W199 HydrophobicContact CD1-CH2 3.63Å; F162-W199 AromaticContact CD1-CZ3 3.91Å; F162-W199 HydrophobicContact CD1-CZ3 3.91Å; F162-W199 HydrophobicContact CD2-CH2 4.06Å; F162-W199 HydrophobicContact CD2-CZ3 4.48Å; F162-W199 HydrophobicContact CE1-CH2 4.04Å; F162-W199 AromaticContact CE1-CZ3 3.81Å; F162-W199 HydrophobicContact CE1-CZ3 3.81Å; F162-W199 HydrophobicContact CE2-CH2 4.46Å; F162-W199 HydrophobicContact CE2-CZ3 4.43Å; F162-W199 AromaticContact CG-CH2 3.63Å; F162-W199 HydrophobicContact CG-CH2 3.63Å; F162-W199 HydrophobicContact CG-CZ3 4.23Å; F162-W199 HydrophobicContact CZ-CH2 4.44Å; F162-W199 HydrophobicContact CZ-CZ3 4.1Å; R164-W199 HydrophobicContact CB-CZ2 4.26Å; R164-W199 HydrophobicContact CG-CZ2 4.37Å; F169-W199 HydrophobicContact CB-CZ2 4.48Å; F169-W199 AromaticContact CD2-CD2 3.95Å; F169-W199 HydrophobicContact CD2-CD2 3.95Å; F169-W199 AromaticContact CD2-CE2 3.46Å; F169-W199 VanDerWaalsContact CD2-CE2 3.46Å; F169-W199 HydrophobicContact CD2-CE3 4.24Å; F169-W199 AromaticContact CD2-CH2 3.66Å; F169-W199 HydrophobicContact CD2-CH2 3.66Å; F169-W199 AromaticContact CD2-CZ2 3.32Å; F169-W199 HydrophobicContact CD2-CZ2 3.32Å; F169-W199 HydrophobicContact CD2-CZ3 4.11Å; F169-W199 AromaticContact CD2-NE1 3.98Å; F169-W199 HydrophobicContact CE2-CD2 4.09Å; F169-W199 AromaticContact CE2-CE2 4Å; F169-W199 AromaticContact CE2-CE3 3.93Å; F169-W199 HydrophobicContact CE2-CE3 3.93Å; F169-W199 AromaticContact CE2-CH2 3.59Å; F169-W199 HydrophobicContact CE2-CH2 3.59Å; F169-W199 AromaticContact CE2-CZ2 3.78Å; F169-W199 HydrophobicContact CE2-CZ2 3.78Å; F169-W199 AromaticContact CE2-CZ3 3.68Å; F169-W199 HydrophobicContact CE2-CZ3 3.68Å; F169-W199 HydrophobicContact CG-CZ2 4.16Å; I172-W199 HydrophobicContact CG1-CG 4.28Å; I172-W199 HydrophobicContact CG2-CB 3.97Å; I172-W199 HydrophobicContact CG2-CD2 4.45Å; I172-W199 HydrophobicContact CG2-CG 3.93Å; E195-W199 WeakPolarHBondContact O-CB 3.33Å; E195-W199 PolarHBondContact O-N 3.36Å; E195-W199 PolarHBondContact OE2-NE1 2.92Å; Y197-W199 PolarHBondContact O-N 2.98Å; W199-V201 VanDerWaalsContact C-N 3.34Å; W199-V201 HydrophobicContact CB-CG2 4.28Å
200	G	97	Very high	95.8	Very high	41 Å²	41	60.4 Å²	60.4	42%	0.423	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	27	-178.3	0	0	0	0	0	113.5	L196 Y197 Y198	L196-G200 PolarHBondContact O-N 3.31Å; Y197-G200 PolarHBondContact O-N 3.36Å; Y197-G200 VanDerWaalsContact O-N 3.1Å; Y198-G200 PolarHBondContact O-N 3.33Å
201	V	97.3	Very high	95.7	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.024	32%	0.319	C	S	.	.			trans	-91.2	118.2	175.2	179.4	0	0	0	0	108.7	T132 I172 F175 L181 L196 W199 E203	T132-V201 HydrophobicContact CG2-CG2 4.31Å; I172-V201 HydrophobicContact CG2-CG2 4.06Å; F175-V201 HydrophobicContact CD1-CG1 3.82Å; F175-V201 HydrophobicContact CD1-CG2 3.99Å; F175-V201 HydrophobicContact CD2-CG1 4.46Å; F175-V201 HydrophobicContact CE1-CG1 3.77Å; F175-V201 HydrophobicContact CE1-CG2 4.03Å; F175-V201 HydrophobicContact CE2-CG1 4.42Å; F175-V201 HydrophobicContact CG-CG1 4.17Å; F175-V201 HydrophobicContact CZ-CG1 4.07Å; L181-V201 HydrophobicContact CD2-CG1 3.97Å; L196-V201 HydrophobicContact CD2-CB 3.83Å; L196-V201 HydrophobicContact CD2-CG1 3.84Å; L196-V201 PolarHBondContact O-N 3.28Å; W199-V201 VanDerWaalsContact C-N 3.34Å; W199-V201 HydrophobicContact CB-CG2 4.28Å; V201-E203 PolarHBondContact O-N 3.48Å
202	N	93.6	Very high	95.7	Very high	84 Å²	84	64 Å²	64	45%	0.449	33%	0.332	S	S	.	.			trans	-69.2	131.8	-177.8	-167.2	-51.3	0	0	0	111.6	N204 F205	N202-N204 PolarHBondContact O-N 2.69Å; N202-N204 VanDerWaalsContact O-N 3.12Å; N202-N204 WeakPolarHBondContact OD1-CB 3.42Å; N202-N204 PolarHBondContact OD1-N 3.48Å; N202-N204 PolarHBondContact OD1-ND2 3.33Å; N202-F205 HydrophobicContact CB-CD2 3.85Å; N202-F205 HydrophobicContact CB-CE2 3.9Å; N202-F205 WeakPolarHBondContact O-CB 3.46Å; N202-F205 VanDerWaalsContact O-CD2 3.28Å; N202-F205 WeakPolarHBondContact O-CD2 3.45Å; N202-F205 PolarHBondContact O-N 3.02Å
203	E	93.2	Very high	95.5	Very high	59 Å²	59	67 Å²	67	28%	0.276	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-56.4	-26.1	176.8	-66.8	173.6	-148.8	0	0	113.1	K193 L196 V201 F205 I206	K193-E203 WeakPolarHBondContact CG-OE1 3.41Å; L196-E203 HydrophobicContact CD1-CG 3.88Å; V201-E203 PolarHBondContact O-N 3.48Å; E203-F205 PolarHBondContact O-N 3.23Å; E203-I206 HydrophobicContact CB-CD1 4.39Å; E203-I206 VanDerWaalsContact O-CB 3.3Å; E203-I206 WeakPolarHBondContact O-CB 3.49Å; E203-I206 WeakPolarHBondContact O-CG1 3.37Å; E203-I206 PolarHBondContact O-N 3.3Å
204	N	90.7	Very high	95.5	Very high	146 Å²	146	64 Å²	64	78%	0.781	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-60.9	-15.6	175.6	-65.8	-16.7	0	0	0	113.5	N202 I206	N202-N204 PolarHBondContact O-N 2.69Å; N202-N204 VanDerWaalsContact O-N 3.12Å; N202-N204 WeakPolarHBondContact OD1-CB 3.42Å; N202-N204 PolarHBondContact OD1-N 3.48Å; N202-N204 PolarHBondContact OD1-ND2 3.33Å; N204-I206 VanDerWaalsContact C-N 3.28Å
205	F	93.7	Very high	95.4	Very high	90 Å²	90	62.3 Å²	62.3	40%	0.395	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-78.5	-9.8	173.9	-70.1	-65	0	0	0	113.8	Y129 F175 L181 N202 E203 K207	Y129-F205 HydrophobicContact CD1-CZ 4.4Å; Y129-F205 HydrophobicContact CE1-CE1 4.17Å; Y129-F205 AromaticContact CE1-CZ 3.99Å; Y129-F205 HydrophobicContact CE1-CZ 3.99Å; F175-F205 HydrophobicContact CD2-CB 4.27Å; F175-F205 HydrophobicContact CE2-CB 3.67Å; F175-F205 AromaticContact CE2-CD1 3.98Å; F175-F205 HydrophobicContact CE2-CD1 3.98Å; F175-F205 AromaticContact CE2-CD2 3.95Å; F175-F205 HydrophobicContact CE2-CD2 3.95Å; F175-F205 AromaticContact CE2-CG 3.6Å; F175-F205 HydrophobicContact CE2-CG 3.6Å; F175-F205 HydrophobicContact CZ-CB 4.4Å; F175-F205 HydrophobicContact CZ-CD1 4.39Å; F175-F205 AromaticContact CZ-CD2 3.83Å; F175-F205 HydrophobicContact CZ-CD2 3.83Å; F175-F205 HydrophobicContact CZ-CE2 4.18Å; F175-F205 AromaticContact CZ-CG 3.96Å; F175-F205 HydrophobicContact CZ-CG 3.96Å; L181-F205 HydrophobicContact CB-CB 4.11Å; L181-F205 WeakPolarHBondContact CB-O 3.47Å; L181-F205 HydrophobicContact CD2-CB 4.42Å; L181-F205 PolarHBondContact N-O 3.08Å; N202-F205 HydrophobicContact CB-CD2 3.85Å; N202-F205 HydrophobicContact CB-CE2 3.9Å; N202-F205 WeakPolarHBondContact O-CB 3.46Å; N202-F205 VanDerWaalsContact O-CD2 3.28Å; N202-F205 WeakPolarHBondContact O-CD2 3.45Å; N202-F205 PolarHBondContact O-N 3.02Å; E203-F205 PolarHBondContact O-N 3.23Å; F205-K207 PolarHBondContact O-N 3.07Å
206	I	95.3	Very high	95.4	Very high	14 Å²	14	66.5 Å²	66.5	7%	0.072	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-60.4	124.5	177.3	-64.7	173	0	0	0	109.3	L181 L196 E203 N204 C210 Y214	L181-I206 HydrophobicContact CB-CG1 4.44Å; L181-I206 HydrophobicContact CD2-CD1 4.42Å; L181-I206 HydrophobicContact CD2-CG1 3.49Å; L181-I206 VanDerWaalsContact CD2-CG1 3.49Å; L181-I206 HydrophobicContact CG-CG1 3.92Å; L196-I206 HydrophobicContact CD1-CD1 4.38Å; E203-I206 HydrophobicContact CB-CD1 4.39Å; E203-I206 VanDerWaalsContact O-CB 3.3Å; E203-I206 WeakPolarHBondContact O-CB 3.49Å; E203-I206 WeakPolarHBondContact O-CG1 3.37Å; E203-I206 PolarHBondContact O-N 3.3Å; N204-I206 VanDerWaalsContact C-N 3.28Å; I206-C210 HydrophobicContact CG2-CB 3.96Å; I206-Y214 HydrophobicContact CD1-CD1 3.33Å; I206-Y214 HydrophobicContact CD1-CD2 4.17Å; I206-Y214 HydrophobicContact CD1-CE1 3.47Å; I206-Y214 VanDerWaalsContact CD1-CE1 3.47Å; I206-Y214 HydrophobicContact CD1-CE2 4.33Å; I206-Y214 HydrophobicContact CD1-CG 3.69Å
207	K	94	Very high	95.3	Very high	86 Å²	86	69 Å²	69	37%	0.374	35%	0.353	S	S	.	.			trans	-71.1	155	-178.9	-74.2	-60.2	-171.8	-174	0	112.4	K180 L181 F205 C209 C210 S211	K180-K207 HydrophobicContact CB-CG 3.82Å; K180-K207 HydrophobicContact CD-CG 4.38Å; K180-K207 HydrophobicContact CG-CD 4.46Å; K180-K207 VanDerWaalsContact CG-CE 3.47Å; K180-K207 HydrophobicContact CG-CG 4.22Å; L181-K207 PolarHBondContact O-N 3.16Å; L181-K207 VanDerWaalsContact O-N 3.07Å; F205-K207 PolarHBondContact O-N 3.07Å; K207-C209 PolarHBondContact O-N 3.3Å; K207-C209 VanDerWaalsContact O-N 3.13Å; K207-C210 CarbonylContact O-C 3.26Å; K207-C210 PolarHBondContact O-N 3.42Å; K207-S211 WeakPolarHBondContact O-CB 3.43Å; K207-S211 PolarHBondContact O-N 3.41Å
208	S	94.6	Very high	95.2	Very high	110 Å²	110	60 Å²	60	77%	0.769	32%	0.318	S	S	*	.	H	α-helix	trans	-51.4	-38.1	179.3	52.8	0	0	0	0	113.7	C210 S211	S208-C210 PolarHBondContact O-N 2.93Å; S208-S211 PolarHBondContact O-N 3.23Å
209	C	94.6	Very high	95.2	Very high	91 Å²	91	62.5 Å²	62.5	62%	0.615	34%	0.335	S	S	*	.	H	α-helix	trans	-65	-19.6	177.6	62.5	0	0	0	0	114.5	H182 K207	H182-C209 PolarHBondContact CE1-SG 3.36Å; K207-C209 PolarHBondContact O-N 3.3Å; K207-C209 VanDerWaalsContact O-N 3.13Å
210	C	96	Very high	95	Very high	9 Å²	9	67.7 Å²	67.7	6%	0.061	36%	0.362	C	S	.	.	H	α-helix	trans	-114	-21.2	178.1	-61.7	0	0	0	0	112.9	H182 I206 K207 S208 H212 R213 Y214	H182-C210 PolarHBondContact ND1-SG 3.38Å; H182-C210 VanDerWaalsContact ND1-SG 3.41Å; I206-C210 HydrophobicContact CG2-CB 3.96Å; K207-C210 CarbonylContact O-C 3.26Å; K207-C210 PolarHBondContact O-N 3.42Å; S208-C210 PolarHBondContact O-N 2.93Å; C210-H212 PolarHBondContact O-N 3.03Å; C210-R213 PolarHBondContact O-N 3.22Å; C210-Y214 WeakPolarHBondContact O-CB 3.45Å; C210-Y214 PolarHBondContact O-N 3.17Å
211	S	94.9	Very high	94.9	Very high	38 Å²	38	68.2 Å²	68.2	27%	0.266	36%	0.355	S	S	.	.	H	α-helix	trans	-57.3	-53.7	-170.8	179.6	0	0	0	0	112.5	K207 S208 R213 Y214 H215	K207-S211 WeakPolarHBondContact O-CB 3.43Å; K207-S211 PolarHBondContact O-N 3.41Å; S208-S211 PolarHBondContact O-N 3.23Å; S211-R213 VanDerWaalsContact C-N 3.34Å; S211-R213 PolarHBondContact O-N 3.43Å; S211-Y214 PolarHBondContact O-N 3.31Å; S211-H215 PolarHBondContact O-N 3.06Å; S211-H215 PolarHBondContact O-ND1 3.34Å; S211-H215 PolarHBondContact OG-ND1 3.28Å
212	H	95.3	Very high	94.7	Very high	139 Å²	139	70.6 Å²	70.6	64%	0.644	37%	0.366	S	S	*	.	H	α-helix	trans	-58.1	-46.2	179.6	179.6	-78.7	0	0	0	112	C210 Q216	C210-H212 PolarHBondContact O-N 3.03Å; H212-Q216 VanDerWaalsContact O-CB 3.22Å; H212-Q216 WeakPolarHBondContact O-CB 3.38Å; H212-Q216 PolarHBondContact O-N 3.19Å
213	R	94.4	Very high	94.6	Very high	63 Å²	63	70.5 Å²	70.5	24%	0.238	37%	0.365	C	S	.	.	H	α-helix	trans	-65.2	-41.9	-178.5	-177.2	169.4	59.7	87.6	0.1	112.3	Y183 D185 C210 S211 Q217	Y183-R213 VanDerWaalsContact CD1-NH1 3.27Å; Y183-R213 VanDerWaalsContact CE1-NH1 3.3Å; Y183-R213 PolarHBondContact O-NH2 3.01Å; D185-R213 VanDerWaalsContact CG-NH1 3.29Å; D185-R213 IonicContact OD1-NH1 3.46Å; D185-R213 IonicContact OD2-CZ 3.22Å; D185-R213 IonicContact OD2-NE 2.67Å; D185-R213 IonicContact OD2-NH1 2.69Å; D185-R213 PolarHBondContact OD2-NH1 2.57Å; C210-R213 PolarHBondContact O-N 3.22Å; S211-R213 VanDerWaalsContact C-N 3.34Å; S211-R213 PolarHBondContact O-N 3.43Å; R213-Q217 WeakPolarHBondContact O-CG 3.37Å; R213-Q217 PolarHBondContact O-N 3.18Å
214	Y	96.3	Very high	94.4	Very high	0 Å²	0	73 Å²	73	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-61.8	-54.4	177	172.9	-102.8	0	0	0	111.4	Y183 V189 F192 K193 I206 C210 S211 Q216 Q217 I218	Y183-Y214 HydrophobicContact CD1-CD2 4.31Å; Y183-Y214 HydrophobicContact CD2-CD2 4.06Å; Y183-Y214 HydrophobicContact CE2-CD2 4.47Å; Y183-Y214 AromaticContact CG-CD2 3.99Å; Y183-Y214 HydrophobicContact CG-CD2 3.99Å; V189-Y214 HydrophobicContact CG2-CD2 3.42Å; V189-Y214 VanDerWaalsContact CG2-CD2 3.42Å; V189-Y214 HydrophobicContact CG2-CE2 3.46Å; V189-Y214 VanDerWaalsContact CG2-CE2 3.46Å; V189-Y214 HydrophobicContact CG2-CG 4.39Å; F192-Y214 HydrophobicContact CD1-CD2 4.07Å; F192-Y214 AromaticContact CD1-CE2 3.7Å; F192-Y214 HydrophobicContact CD1-CE2 3.7Å; F192-Y214 HydrophobicContact CE1-CD2 4.45Å; F192-Y214 HydrophobicContact CE1-CE2 4.31Å; K193-Y214 WeakPolarHBondContact CB-OH 3.16Å; K193-Y214 WeakPolarHBondContact CG-OH 3.3Å; I206-Y214 HydrophobicContact CD1-CD1 3.33Å; I206-Y214 HydrophobicContact CD1-CD2 4.17Å; I206-Y214 HydrophobicContact CD1-CE1 3.47Å; I206-Y214 VanDerWaalsContact CD1-CE1 3.47Å; I206-Y214 HydrophobicContact CD1-CE2 4.33Å; I206-Y214 HydrophobicContact CD1-CG 3.69Å; C210-Y214 WeakPolarHBondContact O-CB 3.45Å; C210-Y214 PolarHBondContact O-N 3.17Å; S211-Y214 PolarHBondContact O-N 3.31Å; Y214-Q216 PolarHBondContact O-N 3.31Å; Y214-Q217 PolarHBondContact O-N 3.49Å; Y214-I218 HydrophobicContact CE1-CG1 4.18Å; Y214-I218 HydrophobicContact CE2-CD1 4.3Å; Y214-I218 HydrophobicContact CE2-CG1 4.12Å; Y214-I218 WeakPolarHBondContact O-CG1 3.42Å; Y214-I218 PolarHBondContact O-N 3.49Å
215	H	95.6	Very high	94.4	Very high	79 Å²	79	69.3 Å²	69.3	37%	0.366	36%	0.356	S	S	.	.	H	α-helix	trans	-64.2	-40.5	-177.9	-67.4	91	0	0	0	112.1	S211 Q217 I218 D219	S211-H215 PolarHBondContact O-N 3.06Å; S211-H215 PolarHBondContact O-ND1 3.34Å; S211-H215 PolarHBondContact OG-ND1 3.28Å; H215-Q217 VanDerWaalsContact C-N 3.32Å; H215-Q217 PolarHBondContact O-N 3.4Å; H215-I218 PolarHBondContact O-N 2.97Å; H215-D219 VanDerWaalsContact O-CG 3.32Å; H215-D219 PolarHBondContact O-N 2.93Å
216	Q	95.9	Very high	94.3	Very high	101 Å²	101	69.5 Å²	69.5	47%	0.472	36%	0.357	S	S	.	.	H	α-helix	trans	-60.3	-40.7	176.3	-175.5	179	35.8	0	0	112.4	H212 Y214 L220	H212-Q216 VanDerWaalsContact O-CB 3.22Å; H212-Q216 WeakPolarHBondContact O-CB 3.38Å; H212-Q216 PolarHBondContact O-N 3.19Å; Y214-Q216 PolarHBondContact O-N 3.31Å; Q216-L220 HydrophobicContact CG-CD1 4.09Å; Q216-L220 WeakPolarHBondContact O-CB 3.5Å; Q216-L220 WeakPolarHBondContact O-CG 3.32Å; Q216-L220 PolarHBondContact O-N 3.41Å; Q216-L220 VanDerWaalsContact O-N 3.07Å
217	Q	96.8	Very high	94	Very high	52 Å²	52	73.6 Å²	73.6	24%	0.243	37%	0.374	C	S	.	.	H	α-helix	trans	-70.6	-37.7	177.6	-72.6	-174.7	10.3	0	0	112.2	Y183 V189 R213 Y214 H215 L220 I221	Y183-Q217 VanDerWaalsContact CE1-OE1 3.31Å; Y183-Q217 VanDerWaalsContact CZ-OE1 3.32Å; Y183-Q217 PolarHBondContact OH-OE1 3.42Å; V189-Q217 HydrophobicContact CB-CB 4.13Å; V189-Q217 HydrophobicContact CG1-CB 3.94Å; V189-Q217 HydrophobicContact CG2-CB 4.14Å; R213-Q217 WeakPolarHBondContact O-CG 3.37Å; R213-Q217 PolarHBondContact O-N 3.18Å; Y214-Q217 PolarHBondContact O-N 3.49Å; H215-Q217 VanDerWaalsContact C-N 3.32Å; H215-Q217 PolarHBondContact O-N 3.4Å; Q217-L220 PolarHBondContact O-N 3.26Å; Q217-I221 WeakPolarHBondContact O-CB 3.39Å; Q217-I221 WeakPolarHBondContact O-CG1 3.44Å; Q217-I221 PolarHBondContact O-N 3.08Å
218	I	96	Very high	93.6	Very high	11 Å²	11	71.9 Å²	71.9	6%	0.056	37%	0.368	C	S	.	.	H	α-helix	trans	-57	-53.7	171.9	-70.8	-66.5	0	0	0	110	V189 I190 K193 Y214 H215 L220 I221 E222	V189-I218 HydrophobicContact CB-CD1 4.23Å; V189-I218 HydrophobicContact CG1-CD1 3.92Å; V189-I218 HydrophobicContact CG1-CG1 4.43Å; V189-I218 HydrophobicContact CG2-CD1 3.58Å; V189-I218 HydrophobicContact CG2-CG1 3.67Å; I190-I218 HydrophobicContact CD1-CD1 3.97Å; K193-I218 HydrophobicContact CB-CD1 4.26Å; K193-I218 HydrophobicContact CD-CD1 3.75Å; Y214-I218 HydrophobicContact CE1-CG1 4.18Å; Y214-I218 HydrophobicContact CE2-CD1 4.3Å; Y214-I218 HydrophobicContact CE2-CG1 4.12Å; Y214-I218 WeakPolarHBondContact O-CG1 3.42Å; Y214-I218 PolarHBondContact O-N 3.49Å; H215-I218 PolarHBondContact O-N 2.97Å; I218-L220 VanDerWaalsContact C-N 3.32Å; I218-L220 PolarHBondContact O-N 2.94Å; I218-I221 PolarHBondContact O-N 3.28Å; I218-E222 HydrophobicContact CG2-CG 4.09Å; I218-E222 WeakPolarHBondContact CG2-OE1 3.34Å; I218-E222 WeakPolarHBondContact O-CB 3.44Å; I218-E222 WeakPolarHBondContact O-CG 3.36Å; I218-E222 PolarHBondContact O-N 3.18Å
219	D	96	Very high	93.2	Very high	95 Å²	95	72.2 Å²	72.2	51%	0.508	36%	0.357	S	S	.	.	H	α-helix	trans	-59.1	-44.3	-177.3	-67.2	-23.5	0	0	0	111.5	H215 D223	H215-D219 VanDerWaalsContact O-CG 3.32Å; H215-D219 PolarHBondContact O-N 2.93Å; D219-D223 VanDerWaalsContact O-CB 3.27Å; D219-D223 WeakPolarHBondContact O-CB 3.22Å; D219-D223 PolarHBondContact O-N 3.37Å
220	L	94.7	Very high	92.8	Very high	110 Å²	110	71.9 Å²	71.9	58%	0.576	35%	0.349	S	S	*	.	H	α-helix	trans	-63.1	-46.6	178.6	-73.3	172	0	0	0	112.6	Q216 Q217 I218 E224	Q216-L220 HydrophobicContact CG-CD1 4.09Å; Q216-L220 WeakPolarHBondContact O-CB 3.5Å; Q216-L220 WeakPolarHBondContact O-CG 3.32Å; Q216-L220 PolarHBondContact O-N 3.41Å; Q216-L220 VanDerWaalsContact O-N 3.07Å; Q217-L220 PolarHBondContact O-N 3.26Å; I218-L220 VanDerWaalsContact C-N 3.32Å; I218-L220 PolarHBondContact O-N 2.94Å; L220-E224 WeakPolarHBondContact O-CB 3.37Å; L220-E224 PolarHBondContact O-N 2.85Å
221	I	93.3	Very high	92.3	Very high	52 Å²	52	71.6 Å²	71.6	27%	0.267	35%	0.347	S	S	.	.	H	α-helix	trans	-73	-40.6	-178.8	-64.6	-174.3	0	0	0	110.9	V189 I190 Q217 I218 D223 E224 I225	V189-I221 HydrophobicContact CG1-CD1 3.55Å; V189-I221 HydrophobicContact CG1-CG1 4.36Å; I190-I221 HydrophobicContact CD1-CB 4.45Å; I190-I221 HydrophobicContact CD1-CG2 4.04Å; I190-I221 HydrophobicContact CG1-CB 4.49Å; I190-I221 HydrophobicContact CG1-CG2 3.74Å; Q217-I221 WeakPolarHBondContact O-CB 3.39Å; Q217-I221 WeakPolarHBondContact O-CG1 3.44Å; Q217-I221 PolarHBondContact O-N 3.08Å; I218-I221 PolarHBondContact O-N 3.28Å; I221-D223 VanDerWaalsContact C-N 3.32Å; I221-D223 PolarHBondContact O-N 2.9Å; I221-E224 CarbonylContact O-C 3.51Å; I221-E224 WeakPolarHBondContact O-CA 3.33Å; I221-E224 WeakPolarHBondContact O-CB 3.5Å; I221-E224 PolarHBondContact O-N 2.95Å; I221-E224 VanDerWaalsContact O-N 3.09Å; I221-I225 HydrophobicContact CG2-CD1 3.81Å; I221-I225 HydrophobicContact CG2-CG1 4.19Å; I221-I225 WeakPolarHBondContact O-CG1 3.27Å; I221-I225 PolarHBondContact O-N 3.35Å
222	E	93.9	Very high	91.6	Very high	54 Å²	54	73.3 Å²	73.3	25%	0.252	35%	0.353	S	S	.	.	H	α-helix	trans	-62.2	-40.9	175.8	-75.4	-171.6	-175.4	0	0	111.3	K193 I218 E224 I225 K226	K193-E222 IonicContact NZ-OE1 3.44Å; K193-E222 PolarHBondContact NZ-OE1 3.38Å; K193-E222 VanDerWaalsContact NZ-OE1 3.07Å; I218-E222 HydrophobicContact CG2-CG 4.09Å; I218-E222 WeakPolarHBondContact CG2-OE1 3.34Å; I218-E222 WeakPolarHBondContact O-CB 3.44Å; I218-E222 WeakPolarHBondContact O-CG 3.36Å; I218-E222 PolarHBondContact O-N 3.18Å; E222-E224 VanDerWaalsContact C-N 3.3Å; E222-E224 PolarHBondContact O-N 3.49Å; E222-I225 PolarHBondContact O-N 2.9Å; E222-K226 WeakPolarHBondContact O-CB 3.19Å; E222-K226 WeakPolarHBondContact O-CD 3.41Å; E222-K226 WeakPolarHBondContact O-CG 3.35Å; E222-K226 PolarHBondContact O-N 3.37Å; E222-K226 IonicContact OE2-NZ 3.21Å
223	D	92	Very high	90.9	Very high	82 Å²	82	74.5 Å²	74.5	44%	0.439	35%	0.351	S	S	.	.	H	α-helix	trans	-64	-36.9	172.5	-84.9	-1.1	0	0	0	112	D219 I221 K227	D219-D223 VanDerWaalsContact O-CB 3.27Å; D219-D223 WeakPolarHBondContact O-CB 3.22Å; D219-D223 PolarHBondContact O-N 3.37Å; I221-D223 VanDerWaalsContact C-N 3.32Å; I221-D223 PolarHBondContact O-N 2.9Å; D223-K227 WeakPolarHBondContact O-CB 3.43Å; D223-K227 WeakPolarHBondContact O-CD 3.32Å; D223-K227 WeakPolarHBondContact O-CG 3.19Å; D223-K227 PolarHBondContact O-N 3.45Å
224	E	89	Confident	90	Very high	110 Å²	110	76 Å²	76	51%	0.514	36%	0.361	S	S	.	.	H	α-helix	trans	-64.2	-49.6	172.9	-171.3	163	-158.5	0	0	110.6	L220 I221 E222 K226 K227 E228 R534	L220-E224 WeakPolarHBondContact O-CB 3.37Å; L220-E224 PolarHBondContact O-N 2.85Å; I221-E224 CarbonylContact O-C 3.51Å; I221-E224 WeakPolarHBondContact O-CA 3.33Å; I221-E224 WeakPolarHBondContact O-CB 3.5Å; I221-E224 PolarHBondContact O-N 2.95Å; I221-E224 VanDerWaalsContact O-N 3.09Å; E222-E224 VanDerWaalsContact C-N 3.3Å; E222-E224 PolarHBondContact O-N 3.49Å; E224-K226 PolarHBondContact O-N 2.96Å; E224-K227 WeakPolarHBondContact O-CB 3.48Å; E224-K227 PolarHBondContact O-N 2.8Å; E224-K227 VanDerWaalsContact O-N 3.15Å; E224-E228 PolarHBondContact O-N 3.26Å; E224-R534 PolarHBondContact O-NH1 3.48Å; E224-R534 PolarHBondContact O-NH2 3.44Å
225	I	90.8	Very high	88.8	Confident	69 Å²	69	77.6 Å²	77.6	35%	0.354	37%	0.369	S	S	.	.	H	α-helix	trans	-57.7	-49.4	176.8	-68.1	167.7	0	0	0	110.6	I221 E222 K227 E228 E229	I221-I225 HydrophobicContact CG2-CD1 3.81Å; I221-I225 HydrophobicContact CG2-CG1 4.19Å; I221-I225 WeakPolarHBondContact O-CG1 3.27Å; I221-I225 PolarHBondContact O-N 3.35Å; E222-I225 PolarHBondContact O-N 2.9Å; I225-K227 PolarHBondContact O-N 3.34Å; I225-E228 WeakPolarHBondContact O-CA 3.42Å; I225-E228 VanDerWaalsContact O-CB 3.24Å; I225-E228 WeakPolarHBondContact O-CB 3.27Å; I225-E228 PolarHBondContact O-N 3.09Å; I225-E229 HydrophobicContact CG2-CG 4.28Å; I225-E229 WeakPolarHBondContact O-CG 3.48Å; I225-E229 PolarHBondContact O-N 3.47Å
226	K	91.2	Very high	87.5	Confident	94 Å²	94	77.1 Å²	77.1	41%	0.409	37%	0.372	S	S	.	.	H	α-helix	trans	-56.6	-38.2	177.2	-73.4	164.4	-169.3	156.2	0	112.2	E222 E224 N230	E222-K226 WeakPolarHBondContact O-CB 3.19Å; E222-K226 WeakPolarHBondContact O-CD 3.41Å; E222-K226 WeakPolarHBondContact O-CG 3.35Å; E222-K226 PolarHBondContact O-N 3.37Å; E222-K226 IonicContact OE2-NZ 3.21Å; E224-K226 PolarHBondContact O-N 2.96Å; K226-N230 VanDerWaalsContact O-CB 3.29Å; K226-N230 WeakPolarHBondContact O-CB 3.38Å; K226-N230 VanDerWaalsContact O-CG 3.23Å; K226-N230 PolarHBondContact O-N 3.13Å; K226-N230 PolarHBondContact O-ND2 2.93Å
227	K	88	Confident	85.7	Confident	100 Å²	100	75.2 Å²	75.2	44%	0.435	37%	0.365	S	S	.	.	H	α-helix	trans	-68.8	-36.8	174.7	-75.9	168.3	-168.6	167.3	0	112	D223 E224 I225 C231	D223-K227 WeakPolarHBondContact O-CB 3.43Å; D223-K227 WeakPolarHBondContact O-CD 3.32Å; D223-K227 WeakPolarHBondContact O-CG 3.19Å; D223-K227 PolarHBondContact O-N 3.45Å; E224-K227 WeakPolarHBondContact O-CB 3.48Å; E224-K227 PolarHBondContact O-N 2.8Å; E224-K227 VanDerWaalsContact O-N 3.15Å; I225-K227 PolarHBondContact O-N 3.34Å; K227-C231 WeakPolarHBondContact O-CB 3.27Å; K227-C231 PolarHBondContact O-N 3.39Å
228	E	86.4	Confident	83.9	Confident	51 Å²	51	75.7 Å²	75.7	24%	0.238	37%	0.368	C	S	.	.	H	α-helix	trans	-60.8	-52.3	172.3	-161.8	124.7	174.3	0	0	110.6	E224 I225 N230 C231 I232 R534 I538 R541	E224-E228 PolarHBondContact O-N 3.26Å; I225-E228 WeakPolarHBondContact O-CA 3.42Å; I225-E228 VanDerWaalsContact O-CB 3.24Å; I225-E228 WeakPolarHBondContact O-CB 3.27Å; I225-E228 PolarHBondContact O-N 3.09Å; E228-N230 VanDerWaalsContact C-N 3.34Å; E228-N230 PolarHBondContact O-N 3.3Å; E228-C231 CarbonylContact O-C 3.55Å; E228-C231 WeakPolarHBondContact O-CA 3.33Å; E228-C231 VanDerWaalsContact O-CB 3.29Å; E228-C231 WeakPolarHBondContact O-CB 3.48Å; E228-C231 PolarHBondContact O-N 2.99Å; E228-I232 HydrophobicContact CG-CD1 3.89Å; E228-I232 WeakPolarHBondContact O-CG1 3.28Å; E228-I232 PolarHBondContact O-N 3.07Å; E228-R534 VanDerWaalsContact CB-NH2 3.33Å; E228-R534 IonicContact OE2-CZ 3.94Å; E228-R534 IonicContact OE2-NE 2.7Å; E228-R534 PolarHBondContact OE2-NE 3.49Å; E228-R534 IonicContact OE2-NH2 2.97Å; E228-R534 PolarHBondContact OE2-NH2 3.01Å; E228-I538 HydrophobicContact CB-CD1 4.45Å; E228-I538 HydrophobicContact CG-CD1 3.72Å; E228-I538 HydrophobicContact CG-CG1 4.22Å; E228-R541 IonicContact OE1-NH1 2.77Å
229	E	87.2	Confident	82.2	Confident	116 Å²	116	78.5 Å²	78.5	54%	0.542	38%	0.383	S	S	.	.	H	α-helix	trans	-60.7	-43.8	-178	-70	177.1	164.2	0	0	111.2	I225 C231 I232 R233	I225-E229 HydrophobicContact CG2-CG 4.28Å; I225-E229 WeakPolarHBondContact O-CG 3.48Å; I225-E229 PolarHBondContact O-N 3.47Å; E229-C231 VanDerWaalsContact C-N 3.3Å; E229-C231 PolarHBondContact O-N 2.93Å; E229-I232 PolarHBondContact O-N 2.92Å; E229-R233 WeakPolarHBondContact O-CB 3.25Å; E229-R233 PolarHBondContact O-N 2.88Å
230	N	86	Confident	80.7	Confident	84 Å²	84	78.9 Å²	78.9	45%	0.449	38%	0.382	S	S	.	.	H	α-helix	trans	-63.1	-37	175.3	-78.8	-41.8	0	0	0	112.2	K226 E228 Q234	K226-N230 VanDerWaalsContact O-CB 3.29Å; K226-N230 WeakPolarHBondContact O-CB 3.38Å; K226-N230 VanDerWaalsContact O-CG 3.23Å; K226-N230 PolarHBondContact O-N 3.13Å; K226-N230 PolarHBondContact O-ND2 2.93Å; E228-N230 VanDerWaalsContact C-N 3.34Å; E228-N230 PolarHBondContact O-N 3.3Å; N230-Q234 WeakPolarHBondContact O-CB 3.45Å; N230-Q234 WeakPolarHBondContact O-CG 3.18Å; N230-Q234 PolarHBondContact O-N 3.36Å
231	C	84.1	Confident	79.4	Confident	3 Å²	3	74.8 Å²	74.8	2%	0.02	36%	0.36	C	S	.	.	H	α-helix	trans	-64.5	-50.5	173.2	175.9	0	0	0	0	111.2	K227 E228 E229 R233 Q234 I235 R535 I538	K227-C231 WeakPolarHBondContact O-CB 3.27Å; K227-C231 PolarHBondContact O-N 3.39Å; E228-C231 CarbonylContact O-C 3.55Å; E228-C231 WeakPolarHBondContact O-CA 3.33Å; E228-C231 VanDerWaalsContact O-CB 3.29Å; E228-C231 WeakPolarHBondContact O-CB 3.48Å; E228-C231 PolarHBondContact O-N 2.99Å; E229-C231 VanDerWaalsContact C-N 3.3Å; E229-C231 PolarHBondContact O-N 2.93Å; C231-R233 VanDerWaalsContact C-N 3.29Å; C231-R233 PolarHBondContact O-N 2.88Å; C231-Q234 PolarHBondContact O-N 3.23Å; C231-Q234 VanDerWaalsContact O-N 3.14Å; C231-I235 VanDerWaalsContact O-CG1 3.3Å; C231-I235 WeakPolarHBondContact O-CG1 3.49Å; C231-I235 PolarHBondContact O-N 2.86Å; C231-I235 VanDerWaalsContact SG-CD1 3.59Å; C231-R535 HydrophobicContact CB-CG 4.5Å; C231-R535 VanDerWaalsContact SG-CG 3.51Å; C231-I538 HydrophobicContact CB-CD1 3.84Å
232	I	81.7	Confident	78.1	Confident	75 Å²	75	74.6 Å²	74.6	39%	0.385	37%	0.371	S	S	.	.	H	α-helix	trans	-59	-43.1	177.8	-66.8	167.7	0	0	0	110.3	E228 E229 I235 T236 I538	E228-I232 HydrophobicContact CG-CD1 3.89Å; E228-I232 WeakPolarHBondContact O-CG1 3.28Å; E228-I232 PolarHBondContact O-N 3.07Å; E229-I232 PolarHBondContact O-N 2.92Å; I232-I235 PolarHBondContact O-N 3.27Å; I232-T236 WeakPolarHBondContact O-CB 3.21Å; I232-T236 PolarHBondContact O-N 2.96Å; I232-T236 PolarHBondContact O-OG1 2.9Å; I232-I538 HydrophobicContact CD1-CG2 4.47Å; I232-I538 HydrophobicContact CG1-CG2 3.72Å
233	R	79.7	Confident	76.7	Confident	164 Å²	164	80.2 Å²	80.2	62%	0.619	40%	0.403	S	S	*	.	H	α-helix	trans	-63.3	-41.1	175.7	-176	178.5	178.1	179.7	2.1	112.2	E229 C231 T236 L237	E229-R233 WeakPolarHBondContact O-CB 3.25Å; E229-R233 PolarHBondContact O-N 2.88Å; C231-R233 VanDerWaalsContact C-N 3.29Å; C231-R233 PolarHBondContact O-N 2.88Å; R233-T236 PolarHBondContact O-N 3.41Å; R233-L237 HydrophobicContact CG-CD1 3.95Å; R233-L237 HydrophobicContact CG-CG 4.25Å; R233-L237 VanDerWaalsContact O-CB 3.27Å; R233-L237 WeakPolarHBondContact O-CB 3.29Å; R233-L237 WeakPolarHBondContact O-CG 3.45Å; R233-L237 PolarHBondContact O-N 3.45Å
234	Q	74.9	Confident	75.8	Confident	95 Å²	95	79.8 Å²	79.8	44%	0.444	41%	0.406	S	S	.	.	H	α-helix	trans	-65.3	-41	175.4	-79.9	-177.7	22.5	0	0	111.8	N230 C231 T236 I238 R535	N230-Q234 WeakPolarHBondContact O-CB 3.45Å; N230-Q234 WeakPolarHBondContact O-CG 3.18Å; N230-Q234 PolarHBondContact O-N 3.36Å; C231-Q234 PolarHBondContact O-N 3.23Å; C231-Q234 VanDerWaalsContact O-N 3.14Å; Q234-T236 VanDerWaalsContact C-N 3.34Å; Q234-I238 VanDerWaalsContact O-CD1 3.31Å; Q234-I238 WeakPolarHBondContact O-CD1 3.45Å; Q234-I238 VanDerWaalsContact O-CG1 3.27Å; Q234-I238 WeakPolarHBondContact O-CG1 3.4Å; Q234-I238 PolarHBondContact O-N 2.94Å; Q234-R535 VanDerWaalsContact OE1-NH1 3.17Å
235	I	71.5	Confident	75	Confident	32 Å²	32	79.8 Å²	79.8	16%	0.164	42%	0.417	C	S	.	.	H	α-helix	trans	-62.3	-45	175	-66.9	161.7	0	0	0	109.9	C231 I232 I238 I538 L539	C231-I235 VanDerWaalsContact O-CG1 3.3Å; C231-I235 WeakPolarHBondContact O-CG1 3.49Å; C231-I235 PolarHBondContact O-N 2.86Å; C231-I235 VanDerWaalsContact SG-CD1 3.59Å; I232-I235 PolarHBondContact O-N 3.27Å; I235-I238 PolarHBondContact O-N 2.97Å; I235-I538 HydrophobicContact CD1-CG2 4.12Å; I235-L539 HydrophobicContact CD1-CD2 3.59Å; I235-L539 HydrophobicContact CD1-CG 3.82Å; I235-L539 HydrophobicContact CG1-CD2 3.96Å; I235-L539 HydrophobicContact CG2-CD2 3.85Å
236	T	68.3	Low	74.4	Confident	70 Å²	70	82.1 Å²	82.1	43%	0.429	42%	0.422	S	S	.	.	H	α-helix	trans	-75.1	-38.4	-175.6	-50.7	0	0	0	0	113	I232 R233 Q234 I238 D239	I232-T236 WeakPolarHBondContact O-CB 3.21Å; I232-T236 PolarHBondContact O-N 2.96Å; I232-T236 PolarHBondContact O-OG1 2.9Å; R233-T236 PolarHBondContact O-N 3.41Å; Q234-T236 VanDerWaalsContact C-N 3.34Å; T236-I238 PolarHBondContact O-N 3.31Å; T236-I238 VanDerWaalsContact O-N 3.17Å; T236-D239 WeakPolarHBondContact O-CA 3.24Å; T236-D239 WeakPolarHBondContact O-CB 3.38Å; T236-D239 PolarHBondContact O-N 3.04Å
237	L	59.6	Low	73.8	Confident	60 Å²	60	77.9 Å²	77.9	31%	0.314	40%	0.404	S	S	.	.	H	α-helix	trans	-62.7	-20	174	-83.1	172.7	0	0	0	112.9	R233 E240	R233-L237 HydrophobicContact CG-CD1 3.95Å; R233-L237 HydrophobicContact CG-CG 4.25Å; R233-L237 VanDerWaalsContact O-CB 3.27Å; R233-L237 WeakPolarHBondContact O-CB 3.29Å; R233-L237 WeakPolarHBondContact O-CG 3.45Å; R233-L237 PolarHBondContact O-N 3.45Å; L237-E240 HydrophobicContact CD2-CG 4.48Å; L237-E240 WeakPolarHBondContact CD2-OE1 3.45Å; L237-E240 WeakPolarHBondContact O-CG 3.4Å
238	I	57.1	Low	73.4	Confident	62 Å²	62	76.1 Å²	76.1	32%	0.318	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-18.8	173.4	-67.3	164.3	0	0	0	110.9	Q234 I235 T236 E240 F241	Q234-I238 VanDerWaalsContact O-CD1 3.31Å; Q234-I238 WeakPolarHBondContact O-CD1 3.45Å; Q234-I238 VanDerWaalsContact O-CG1 3.27Å; Q234-I238 WeakPolarHBondContact O-CG1 3.4Å; Q234-I238 PolarHBondContact O-N 2.94Å; I235-I238 PolarHBondContact O-N 2.97Å; T236-I238 PolarHBondContact O-N 3.31Å; T236-I238 VanDerWaalsContact O-N 3.17Å; I238-E240 VanDerWaalsContact C-N 3.33Å; I238-E240 PolarHBondContact O-N 3.42Å; I238-F241 WeakPolarHBondContact O-CE2 3.44Å
239	D	60.6	Low	73.3	Confident	70 Å²	70	79.1 Å²	79.1	37%	0.374	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	21.4	176.8	-84	-30.4	0	0	0	114.2	T236 F241	T236-D239 WeakPolarHBondContact O-CA 3.24Å; T236-D239 WeakPolarHBondContact O-CB 3.38Å; T236-D239 PolarHBondContact O-N 3.04Å; D239-F241 PolarHBondContact O-N 3.41Å
240	E	64	Low	73.3	Confident	103 Å²	103	75.5 Å²	75.5	48%	0.481	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	17.8	171	-80	-179.7	-178.7	0	0	114.8	L237 I238 G242 P359	L237-E240 HydrophobicContact CD2-CG 4.48Å; L237-E240 WeakPolarHBondContact CD2-OE1 3.45Å; L237-E240 WeakPolarHBondContact O-CG 3.4Å; I238-E240 VanDerWaalsContact C-N 3.33Å; I238-E240 PolarHBondContact O-N 3.42Å; E240-G242 VanDerWaalsContact C-N 3.3Å; E240-G242 PolarHBondContact O-N 3.3Å; E240-P359 HydrophobicContact CB-CB 4.25Å
241	F	68.6	Low	73.2	Confident	25 Å²	25	76.2 Å²	76.2	11%	0.11	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-25.3	-177.8	-67.4	-69.2	0	0	0	113.1	I238 D239 A247 K250 R251 W254 C357 P359	I238-F241 WeakPolarHBondContact O-CE2 3.44Å; D239-F241 PolarHBondContact O-N 3.41Å; F241-A247 HydrophobicContact CB-CB 3.97Å; F241-A247 WeakPolarHBondContact O-CB 3.11Å; F241-K250 HydrophobicContact CD1-CB 3.73Å; F241-K250 HydrophobicContact CD1-CD 4.48Å; F241-K250 HydrophobicContact CE1-CB 3.95Å; F241-R251 HydrophobicContact CD2-CB 3.75Å; F241-R251 HydrophobicContact CD2-CG 3.96Å; F241-R251 HydrophobicContact CE2-CB 4.1Å; F241-R251 HydrophobicContact CE2-CG 4.19Å; F241-R251 HydrophobicContact CG-CB 4.05Å; F241-W254 HydrophobicContact CE1-CB 4.49Å; F241-W254 HydrophobicContact CE2-CB 4.41Å; F241-W254 HydrophobicContact CE2-CG 4.38Å; F241-W254 HydrophobicContact CZ-CB 3.72Å; F241-W254 HydrophobicContact CZ-CD2 4.33Å; F241-W254 AromaticContact CZ-CG 3.76Å; F241-W254 HydrophobicContact CZ-CG 3.76Å; F241-C357 WeakPolarHBondContact CE1-O 3.47Å; F241-P359 HydrophobicContact CD1-CB 4.3Å; F241-P359 HydrophobicContact CE1-CB 4.09Å; F241-P359 HydrophobicContact CE1-CG 4.17Å; F241-P359 HydrophobicContact CZ-CG 4.26Å
242	G	65.7	Low	73.3	Confident	48 Å²	48	82.3 Å²	82.3	50%	0.495	42%	0.424	S	S	.	.			trans	77.8	-175.2	-170.2	0	0	0	0	0	112.8	E240 A247	E240-G242 VanDerWaalsContact C-N 3.3Å; E240-G242 PolarHBondContact O-N 3.3Å; G242-A247 WeakPolarHBondContact O-CB 3.37Å
243	N	64.7	Low	73.6	Confident	172 Å²	172	79.4 Å²	79.4	92%	0.92	41%	0.412	S	S	*	.	S	Bend	trans	-102	12.4	-169.9	-68.5	-8.4	0	0	0	115.2
244	S	72.2	Confident	74.1	Confident	73 Å²	73	72.4 Å²	72.4	51%	0.51	39%	0.386	S	S	.	.	S	Bend	trans	-77.8	157.3	-179.4	179.5	0	0	0	0	112.9	Y246 A247 N248	S244-Y246 PolarHBondContact O-N 2.89Å; S244-Y246 PolarHBondContact OG-N 2.94Å; S244-A247 WeakPolarHBondContact O-CA 3.34Å; S244-A247 WeakPolarHBondContact O-CB 3.32Å; S244-A247 PolarHBondContact O-N 2.84Å; S244-N248 PolarHBondContact O-N 3.06Å
245	C	72.2	Confident	74.6	Confident	109 Å²	109	69.7 Å²	69.7	74%	0.736	37%	0.374	S	S	*	.	H	α-helix	trans	-54.2	-40.5	168.7	-179.2	0	0	0	0	111.7	A247 N248 L249	C245-A247 VanDerWaalsContact C-N 3.28Å; C245-A247 PolarHBondContact O-N 2.71Å; C245-N248 WeakPolarHBondContact O-CB 3.2Å; C245-N248 PolarHBondContact O-N 3.06Å; C245-L249 PolarHBondContact O-N 3.22Å; C245-L249 VanDerWaalsContact O-N 3.1Å
246	Y	78.4	Confident	75.6	Confident	119 Å²	119	71 Å²	71	47%	0.467	38%	0.382	S	S	.	.	H	α-helix	trans	-64.3	-33	174.8	-178.7	-111	0	0	0	112.8	S244 L249 K250 W356	S244-Y246 PolarHBondContact O-N 2.89Å; S244-Y246 PolarHBondContact OG-N 2.94Å; Y246-L249 PolarHBondContact O-N 3.15Å; Y246-K250 HydrophobicContact CD1-CD 4.2Å; Y246-K250 HydrophobicContact CE1-CD 3.75Å; Y246-K250 HydrophobicContact CE1-CG 4.35Å; Y246-K250 PolarHBondContact O-N 3.48Å; Y246-K250 WeakPolarHBondContact OH-CE 3.5Å; Y246-W356 PolarHBondContact OH-NE1 3.45Å
247	A	79.4	Confident	76.7	Confident	4 Å²	4	68.3 Å²	68.3	3%	0.033	36%	0.364	C	S	.	.	H	α-helix	trans	-66.5	-41.2	174.1	0	0	0	0	0	111.5	F241 G242 S244 C245 K250 R251	F241-A247 HydrophobicContact CB-CB 3.97Å; F241-A247 WeakPolarHBondContact O-CB 3.11Å; G242-A247 WeakPolarHBondContact O-CB 3.37Å; S244-A247 WeakPolarHBondContact O-CA 3.34Å; S244-A247 WeakPolarHBondContact O-CB 3.32Å; S244-A247 PolarHBondContact O-N 2.84Å; C245-A247 VanDerWaalsContact C-N 3.28Å; C245-A247 PolarHBondContact O-N 2.71Å; A247-K250 PolarHBondContact O-N 3.41Å; A247-R251 WeakPolarHBondContact O-CB 3.27Å; A247-R251 PolarHBondContact O-N 2.69Å
248	N	79.2	Confident	78	Confident	64 Å²	64	67.3 Å²	67.3	34%	0.342	36%	0.358	S	S	.	.	H	α-helix	trans	-60.7	-45.2	174.8	-79.9	-32.1	0	0	0	112.1	S244 C245 R251 Q252	S244-N248 PolarHBondContact O-N 3.06Å; C245-N248 WeakPolarHBondContact O-CB 3.2Å; C245-N248 PolarHBondContact O-N 3.06Å; N248-R251 PolarHBondContact O-N 3.44Å; N248-R251 PolarHBondContact OD1-NH2 2.99Å; N248-Q252 WeakPolarHBondContact O-CB 3.5Å; N248-Q252 WeakPolarHBondContact O-CG 3.36Å; N248-Q252 PolarHBondContact O-N 2.93Å
249	L	84.2	Confident	79.3	Confident	113 Å²	113	67.7 Å²	67.7	59%	0.592	36%	0.357	S	S	*	.	H	α-helix	trans	-62.3	-44.7	176.4	-176.5	65.1	0	0	0	111.7	C245 Y246 R251 Q252 G253	C245-L249 PolarHBondContact O-N 3.22Å; C245-L249 VanDerWaalsContact O-N 3.1Å; Y246-L249 PolarHBondContact O-N 3.15Å; L249-R251 VanDerWaalsContact C-N 3.35Å; L249-R251 PolarHBondContact O-N 2.76Å; L249-Q252 PolarHBondContact O-N 2.74Å; L249-G253 PolarHBondContact O-N 2.99Å
250	K	86.9	Confident	80.4	Confident	41 Å²	41	66.1 Å²	66.1	18%	0.178	35%	0.351	C	S	.	.	H	α-helix	trans	-59	-44.4	174.7	-82.9	-176.4	164.8	173.3	0	112.3	F241 Y246 A247 G253 W254	F241-K250 HydrophobicContact CD1-CB 3.73Å; F241-K250 HydrophobicContact CD1-CD 4.48Å; F241-K250 HydrophobicContact CE1-CB 3.95Å; Y246-K250 HydrophobicContact CD1-CD 4.2Å; Y246-K250 HydrophobicContact CE1-CD 3.75Å; Y246-K250 HydrophobicContact CE1-CG 4.35Å; Y246-K250 PolarHBondContact O-N 3.48Å; Y246-K250 WeakPolarHBondContact OH-CE 3.5Å; A247-K250 PolarHBondContact O-N 3.41Å; K250-G253 PolarHBondContact O-N 2.78Å; K250-W254 VanDerWaalsContact O-CB 3.26Å; K250-W254 WeakPolarHBondContact O-CB 3.41Å; K250-W254 PolarHBondContact O-N 3.04Å
251	R	84.1	Confident	81.3	Confident	99 Å²	99	69.5 Å²	69.5	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-63.2	-43.7	178	-177	171.1	61.4	166.7	-2.2	111.7	F241 A247 N248 L249 W254 N255	F241-R251 HydrophobicContact CD2-CB 3.75Å; F241-R251 HydrophobicContact CD2-CG 3.96Å; F241-R251 HydrophobicContact CE2-CB 4.1Å; F241-R251 HydrophobicContact CE2-CG 4.19Å; F241-R251 HydrophobicContact CG-CB 4.05Å; A247-R251 WeakPolarHBondContact O-CB 3.27Å; A247-R251 PolarHBondContact O-N 2.69Å; N248-R251 PolarHBondContact O-N 3.44Å; N248-R251 PolarHBondContact OD1-NH2 2.99Å; L249-R251 VanDerWaalsContact C-N 3.35Å; L249-R251 PolarHBondContact O-N 2.76Å; R251-W254 PolarHBondContact O-N 3.12Å; R251-N255 WeakPolarHBondContact O-CB 3.33Å; R251-N255 VanDerWaalsContact O-CG 3.3Å; R251-N255 PolarHBondContact O-N 3.44Å; R251-N255 PolarHBondContact O-ND2 3.43Å
252	Q	85.5	Confident	81.9	Confident	131 Å²	131	71.5 Å²	71.5	61%	0.612	38%	0.381	S	S	*	.	H	α-helix	trans	-61.9	-47.7	174.7	-73.9	178.2	3.9	0	0	111.4	N248 L249 W254 N255 L256	N248-Q252 WeakPolarHBondContact O-CB 3.5Å; N248-Q252 WeakPolarHBondContact O-CG 3.36Å; N248-Q252 PolarHBondContact O-N 2.93Å; L249-Q252 PolarHBondContact O-N 2.74Å; Q252-W254 PolarHBondContact O-N 3.15Å; Q252-N255 PolarHBondContact O-N 3.25Å; Q252-L256 WeakPolarHBondContact O-CB 3.37Å; Q252-L256 PolarHBondContact O-N 2.8Å
253	G	89.6	Confident	83.1	Confident	14 Å²	14	71.6 Å²	71.6	14%	0.144	37%	0.374	C	S	.	.	H	α-helix	trans	-62.7	-40	176.5	0	0	0	0	0	112.8	L249 K250 L256 L257	L249-G253 PolarHBondContact O-N 2.99Å; K250-G253 PolarHBondContact O-N 2.78Å; G253-L256 PolarHBondContact O-N 2.89Å; G253-L257 WeakPolarHBondContact O-CB 3.48Å; G253-L257 WeakPolarHBondContact O-CG 3.43Å; G253-L257 PolarHBondContact O-N 3.17Å
254	W	88.9	Confident	84.3	Confident	16 Å²	16	66 Å²	66	6%	0.061	36%	0.356	C	S	.	.	H	α-helix	trans	-62.6	-46.9	174.9	-177.9	-100.6	0	0	0	112.1	F241 K250 R251 Q252 L256 L257 E258 C357 F364	F241-W254 HydrophobicContact CE1-CB 4.49Å; F241-W254 HydrophobicContact CE2-CB 4.41Å; F241-W254 HydrophobicContact CE2-CG 4.38Å; F241-W254 HydrophobicContact CZ-CB 3.72Å; F241-W254 HydrophobicContact CZ-CD2 4.33Å; F241-W254 AromaticContact CZ-CG 3.76Å; F241-W254 HydrophobicContact CZ-CG 3.76Å; K250-W254 VanDerWaalsContact O-CB 3.26Å; K250-W254 WeakPolarHBondContact O-CB 3.41Å; K250-W254 PolarHBondContact O-N 3.04Å; R251-W254 PolarHBondContact O-N 3.12Å; Q252-W254 PolarHBondContact O-N 3.15Å; W254-L256 VanDerWaalsContact C-N 3.34Å; W254-L256 PolarHBondContact O-N 2.82Å; W254-L257 PolarHBondContact O-N 3.32Å; W254-E258 HydrophobicContact CD2-CB 4.3Å; W254-E258 HydrophobicContact CH2-CG 4.46Å; W254-E258 HydrophobicContact CZ2-CB 4.4Å; W254-E258 HydrophobicContact CZ2-CG 3.94Å; W254-E258 VanDerWaalsContact O-CB 3.23Å; W254-E258 WeakPolarHBondContact O-CB 3.29Å; W254-E258 PolarHBondContact O-N 3.05Å; W254-C357 HydrophobicContact CB-CB 4.33Å; W254-C357 HydrophobicContact CE3-CB 4.47Å; W254-F364 AromaticContact CH2-CD2 3.87Å; W254-F364 HydrophobicContact CH2-CD2 3.87Å; W254-F364 HydrophobicContact CH2-CE2 4.18Å; W254-F364 AromaticContact CZ3-CD2 3.75Å; W254-F364 HydrophobicContact CZ3-CD2 3.75Å; W254-F364 AromaticContact CZ3-CE2 3.89Å; W254-F364 HydrophobicContact CZ3-CE2 3.89Å
255	N	86.5	Confident	85.4	Confident	39 Å²	39	65.4 Å²	65.4	21%	0.209	36%	0.356	C	S	.	.	H	α-helix	trans	-61.7	-43	176.2	-74.2	-19.7	0	0	0	111.1	R251 Q252 L257 K259 T262	R251-N255 WeakPolarHBondContact O-CB 3.33Å; R251-N255 VanDerWaalsContact O-CG 3.3Å; R251-N255 PolarHBondContact O-N 3.44Å; R251-N255 PolarHBondContact O-ND2 3.43Å; Q252-N255 PolarHBondContact O-N 3.25Å; N255-L257 PolarHBondContact O-N 2.92Å; N255-K259 CarbonylContact O-C 3.53Å; N255-K259 WeakPolarHBondContact O-CA 3.24Å; N255-K259 WeakPolarHBondContact O-CB 3.1Å; N255-K259 PolarHBondContact O-N 3.42Å; N255-K259 WeakPolarHBondContact OD1-CD 3.34Å; N255-K259 PolarHBondContact OD1-NZ 3.31Å; N255-T262 HydrophobicContact CB-CG2 4.09Å; N255-T262 PolarHBondContact O-OG1 3.14Å
256	L	91	Very high	86.4	Confident	60 Å²	60	60.2 Å²	60.2	31%	0.314	32%	0.321	S	S	.	.	H	α-helix	trans	-59.1	-44.4	176.6	-176.8	72.1	0	0	0	112.8	Q252 G253 W254 A265 A266	Q252-L256 WeakPolarHBondContact O-CB 3.37Å; Q252-L256 PolarHBondContact O-N 2.8Å; G253-L256 PolarHBondContact O-N 2.89Å; W254-L256 VanDerWaalsContact C-N 3.34Å; W254-L256 PolarHBondContact O-N 2.82Å; L256-A265 HydrophobicContact CD1-CB 3.72Å; L256-A266 HydrophobicContact CD1-CB 4.11Å
257	L	91.7	Very high	87.1	Confident	12 Å²	12	62.3 Å²	62.3	6%	0.063	33%	0.328	C	S	.	.	H	α-helix	trans	-92.1	-25.9	-169.7	-63.1	169.3	0	0	0	114.6	G253 W254 N255 F269 L353 R354	G253-L257 WeakPolarHBondContact O-CB 3.48Å; G253-L257 WeakPolarHBondContact O-CG 3.43Å; G253-L257 PolarHBondContact O-N 3.17Å; W254-L257 PolarHBondContact O-N 3.32Å; N255-L257 PolarHBondContact O-N 2.92Å; L257-F269 HydrophobicContact CD2-CD1 4.01Å; L257-F269 HydrophobicContact CD2-CD2 4.32Å; L257-F269 HydrophobicContact CD2-CE1 3.43Å; L257-F269 VanDerWaalsContact CD2-CE1 3.43Å; L257-F269 HydrophobicContact CD2-CE2 3.77Å; L257-F269 HydrophobicContact CD2-CG 4.44Å; L257-F269 HydrophobicContact CD2-CZ 3.29Å; L257-L353 HydrophobicContact CD1-CB 3.67Å; L257-R354 HydrophobicContact CB-CG 3.7Å; L257-R354 HydrophobicContact CD1-CG 4.01Å; L257-R354 HydrophobicContact CG-CG 4.4Å; L257-R354 PolarHBondContact O-NE 3.42Å; L257-R354 PolarHBondContact O-NH2 2.9Å
258	E	87.2	Confident	87.9	Confident	39 Å²	39	66.4 Å²	66.4	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-108.6	-27.3	-175.1	-165.6	71.9	-173.6	0	0	112.6	W254 R354 R367 R421	W254-E258 HydrophobicContact CD2-CB 4.3Å; W254-E258 HydrophobicContact CH2-CG 4.46Å; W254-E258 HydrophobicContact CZ2-CB 4.4Å; W254-E258 HydrophobicContact CZ2-CG 3.94Å; W254-E258 VanDerWaalsContact O-CB 3.23Å; W254-E258 WeakPolarHBondContact O-CB 3.29Å; W254-E258 PolarHBondContact O-N 3.05Å; E258-R354 IonicContact OE2-NE 3.74Å; E258-R367 IonicContact OE1-CZ 3.61Å; E258-R367 IonicContact OE1-NE 3.34Å; E258-R367 IonicContact OE1-NH2 3.54Å; E258-R367 PolarHBondContact OE1-NH2 2.89Å; E258-R367 IonicContact OE2-NH2 2.83Å; E258-R367 PolarHBondContact OE2-NH2 3.19Å; E258-R421 IonicContact OE1-CZ 4Å; E258-R421 IonicContact OE1-NH1 3.44Å; E258-R421 PolarHBondContact OE1-NH1 3.36Å; E258-R421 IonicContact OE2-CZ 2.79Å; E258-R421 IonicContact OE2-NH1 3.09Å; E258-R421 PolarHBondContact OE2-NH1 3.38Å; E258-R421 IonicContact OE2-NH2 3.9Å
259	K	83.8	Confident	88.6	Confident	70 Å²	70	64.9 Å²	64.9	30%	0.304	34%	0.343	S	S	.	.			trans	-123.2	86.9	-172	-58.2	-178.8	-173.1	165.5	0	111.3	N255 H261 T262	N255-K259 CarbonylContact O-C 3.53Å; N255-K259 WeakPolarHBondContact O-CA 3.24Å; N255-K259 WeakPolarHBondContact O-CB 3.1Å; N255-K259 PolarHBondContact O-N 3.42Å; N255-K259 WeakPolarHBondContact OD1-CD 3.34Å; N255-K259 PolarHBondContact OD1-NZ 3.31Å; K259-H261 PolarHBondContact O-N 2.84Å; K259-T262 HydrophobicContact CB-CG2 3.51Å; K259-T262 HydrophobicContact CD-CG2 3.85Å; K259-T262 HydrophobicContact CG-CG2 4.36Å; K259-T262 PolarHBondContact O-N 2.92Å; K259-T262 VanDerWaalsContact O-N 3.09Å; K259-T262 PolarHBondContact O-OG1 2.91Å
260	P	85.2	Confident	89.1	Confident	37 Å²	37	60 Å²	60	24%	0.24	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-59.1	-24.6	-175.9	23.3	-33.6	0	0	0	113.7	T262 R267 A270	P260-T262 VanDerWaalsContact C-N 3.33Å; P260-T262 PolarHBondContact O-N 3.14Å; P260-R267 WeakPolarHBondContact O-CG 3.17Å; P260-R267 PolarHBondContact O-N 3.28Å; P260-A270 HydrophobicContact CB-CB 3.84Å
261	H	81.8	Confident	89.6	Confident	175 Å²	175	62.8 Å²	62.8	81%	0.81	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-80	-8	-177.9	-55.3	-74.4	0	0	0	114.4	K259	K259-H261 PolarHBondContact O-N 2.84Å
262	T	82.1	Confident	90.1	Very high	67 Å²	67	60.3 Å²	60.3	41%	0.411	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-76.2	-28.2	-174.8	54.8	0	0	0	0	113.8	N255 K259 P260	N255-T262 HydrophobicContact CB-CG2 4.09Å; N255-T262 PolarHBondContact O-OG1 3.14Å; K259-T262 HydrophobicContact CB-CG2 3.51Å; K259-T262 HydrophobicContact CD-CG2 3.85Å; K259-T262 HydrophobicContact CG-CG2 4.36Å; K259-T262 PolarHBondContact O-N 2.92Å; K259-T262 VanDerWaalsContact O-N 3.09Å; K259-T262 PolarHBondContact O-OG1 2.91Å; P260-T262 VanDerWaalsContact C-N 3.33Å; P260-T262 PolarHBondContact O-N 3.14Å
263	S	89.4	Confident	90.6	Very high	49 Å²	49	54 Å²	54	34%	0.343	30%	0.301	S	S	.	.			trans	-155.5	158.9	-179.3	71	0	0	0	0	111.8	A265 A266 R267	S263-A265 VanDerWaalsContact C-N 3.25Å; S263-A265 PolarHBondContact O-N 2.77Å; S263-A266 WeakPolarHBondContact O-CB 3.21Å; S263-A266 PolarHBondContact O-N 2.83Å; S263-A266 VanDerWaalsContact O-N 3.09Å; S263-A266 WeakPolarHBondContact OG-CB 3.29Å; S263-A266 PolarHBondContact OG-N 3.37Å; S263-A266 VanDerWaalsContact OG-N 3.1Å; S263-R267 PolarHBondContact O-N 2.87Å; S263-R267 VanDerWaalsContact O-N 3.14Å
264	G	91.1	Very high	90.9	Very high	54 Å²	54	56 Å²	56	56%	0.557	31%	0.308	S	S	*	.	H	α-helix	trans	-56.2	-41.6	173.3	0	0	0	0	0	112.2	A266 R267 V268	G264-A266 VanDerWaalsContact C-N 3.32Å; G264-A266 PolarHBondContact O-N 3.41Å; G264-R267 WeakPolarHBondContact O-CB 3.4Å; G264-R267 PolarHBondContact O-N 3.05Å; G264-V268 WeakPolarHBondContact O-CG2 3.35Å; G264-V268 PolarHBondContact O-N 3.39Å
265	A	94.5	Very high	91.3	Very high	62 Å²	62	59.2 Å²	59.2	51%	0.512	33%	0.325	S	S	.	.	H	α-helix	trans	-60.3	-39.3	175.1	0	0	0	0	0	112.6	L256 S263 R267 V268 F269	L256-A265 HydrophobicContact CD1-CB 3.72Å; S263-A265 VanDerWaalsContact C-N 3.25Å; S263-A265 PolarHBondContact O-N 2.77Å; A265-R267 VanDerWaalsContact C-N 3.34Å; A265-R267 PolarHBondContact O-N 3.48Å; A265-V268 PolarHBondContact O-N 2.72Å; A265-F269 WeakPolarHBondContact O-CB 3.37Å; A265-F269 PolarHBondContact O-N 3.27Å
266	A	92.9	Very high	91.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-65.5	-38	177.5	0	0	0	0	0	111.9	L256 S263 G264 F269 A270	L256-A266 HydrophobicContact CD1-CB 4.11Å; S263-A266 WeakPolarHBondContact O-CB 3.21Å; S263-A266 PolarHBondContact O-N 2.83Å; S263-A266 VanDerWaalsContact O-N 3.09Å; S263-A266 WeakPolarHBondContact OG-CB 3.29Å; S263-A266 PolarHBondContact OG-N 3.37Å; S263-A266 VanDerWaalsContact OG-N 3.1Å; G264-A266 VanDerWaalsContact C-N 3.32Å; G264-A266 PolarHBondContact O-N 3.41Å; A266-F269 PolarHBondContact O-N 2.93Å; A266-A270 WeakPolarHBondContact O-CB 3.39Å; A266-A270 PolarHBondContact O-N 3.45Å
267	R	93.6	Very high	92.1	Very high	162 Å²	162	56.4 Å²	56.4	61%	0.611	31%	0.309	S	S	*	.	H	α-helix	trans	-63	-46.1	173.4	-62.1	178.2	64	174.5	-2.5	111.6	P260 S263 G264 A265 A270 I271	P260-R267 WeakPolarHBondContact O-CG 3.17Å; P260-R267 PolarHBondContact O-N 3.28Å; S263-R267 PolarHBondContact O-N 2.87Å; S263-R267 VanDerWaalsContact O-N 3.14Å; G264-R267 WeakPolarHBondContact O-CB 3.4Å; G264-R267 PolarHBondContact O-N 3.05Å; A265-R267 VanDerWaalsContact C-N 3.34Å; A265-R267 PolarHBondContact O-N 3.48Å; R267-A270 PolarHBondContact O-N 2.77Å; R267-I271 WeakPolarHBondContact O-CG1 3.49Å; R267-I271 PolarHBondContact O-N 3.44Å
268	V	96.2	Very high	92.3	Very high	90 Å²	90	60 Å²	60	55%	0.545	33%	0.328	S	S	.	.	H	α-helix	trans	-61.5	-47.1	177.8	174.1	0	0	0	0	110.5	G264 A265 A270 I271 V272	G264-V268 WeakPolarHBondContact O-CG2 3.35Å; G264-V268 PolarHBondContact O-N 3.39Å; A265-V268 PolarHBondContact O-N 2.72Å; V268-A270 VanDerWaalsContact C-N 3.3Å; V268-A270 PolarHBondContact O-N 3.33Å; V268-I271 PolarHBondContact O-N 2.92Å; V268-I271 VanDerWaalsContact O-N 3.16Å; V268-V272 HydrophobicContact CG1-CG2 4.32Å; V268-V272 WeakPolarHBondContact O-CG2 3.4Å; V268-V272 PolarHBondContact O-N 3.41Å
269	F	95	Very high	92.7	Very high	32 Å²	32	62 Å²	62	14%	0.14	34%	0.339	C	S	.	.	H	α-helix	trans	-57.4	-42.7	177.7	-172.3	-86.1	0	0	0	112.3	L257 A265 A266 V272 S273 W346 E350	L257-F269 HydrophobicContact CD2-CD1 4.01Å; L257-F269 HydrophobicContact CD2-CD2 4.32Å; L257-F269 HydrophobicContact CD2-CE1 3.43Å; L257-F269 VanDerWaalsContact CD2-CE1 3.43Å; L257-F269 HydrophobicContact CD2-CE2 3.77Å; L257-F269 HydrophobicContact CD2-CG 4.44Å; L257-F269 HydrophobicContact CD2-CZ 3.29Å; A265-F269 WeakPolarHBondContact O-CB 3.37Å; A265-F269 PolarHBondContact O-N 3.27Å; A266-F269 PolarHBondContact O-N 2.93Å; F269-V272 PolarHBondContact O-N 2.94Å; F269-S273 WeakPolarHBondContact CE1-OG 3.27Å; F269-S273 WeakPolarHBondContact O-CB 3Å; F269-S273 PolarHBondContact O-N 2.96Å; F269-S273 PolarHBondContact O-OG 3.02Å; F269-W346 HydrophobicContact CD2-CH2 4.18Å; F269-W346 HydrophobicContact CD2-CZ2 4.14Å; F269-W346 HydrophobicContact CE1-CZ2 4.47Å; F269-W346 AromaticContact CE2-CH2 3.71Å; F269-W346 HydrophobicContact CE2-CH2 3.71Å; F269-W346 AromaticContact CE2-CZ2 3.6Å; F269-W346 HydrophobicContact CE2-CZ2 3.6Å; F269-W346 HydrophobicContact CZ-CH2 4.32Å; F269-W346 AromaticContact CZ-CZ2 3.77Å; F269-W346 HydrophobicContact CZ-CZ2 3.77Å; F269-E350 HydrophobicContact CE1-CG 3.9Å; F269-E350 HydrophobicContact CZ-CB 4.49Å; F269-E350 HydrophobicContact CZ-CG 3.89Å
270	A	94.6	Very high	93.2	Very high	10 Å²	10	58.7 Å²	58.7	8%	0.083	33%	0.325	C	S	.	.	H	α-helix	trans	-64.5	-43.2	176.3	0	0	0	0	0	112.6	P260 A266 R267 V268 S273 I274	P260-A270 HydrophobicContact CB-CB 3.84Å; A266-A270 WeakPolarHBondContact O-CB 3.39Å; A266-A270 PolarHBondContact O-N 3.45Å; R267-A270 PolarHBondContact O-N 2.77Å; V268-A270 VanDerWaalsContact C-N 3.3Å; V268-A270 PolarHBondContact O-N 3.33Å; A270-S273 PolarHBondContact O-N 3.39Å; A270-I274 VanDerWaalsContact O-CG1 3.31Å; A270-I274 WeakPolarHBondContact O-CG1 3.14Å; A270-I274 PolarHBondContact O-N 2.94Å
271	I	95.9	Very high	93.5	Very high	100 Å²	100	58.5 Å²	58.5	51%	0.513	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-46.7	176.5	-68.2	165.4	0	0	0	110.6	R267 V268 S273 I274 I275	R267-I271 WeakPolarHBondContact O-CG1 3.49Å; R267-I271 PolarHBondContact O-N 3.44Å; V268-I271 PolarHBondContact O-N 2.92Å; V268-I271 VanDerWaalsContact O-N 3.16Å; I271-S273 VanDerWaalsContact C-N 3.31Å; I271-S273 PolarHBondContact O-N 3.4Å; I271-I274 PolarHBondContact O-N 3.28Å; I271-I275 HydrophobicContact CG2-CD1 4.01Å; I271-I275 WeakPolarHBondContact O-CG1 3.31Å; I271-I275 PolarHBondContact O-N 3.01Å
272	V	96.6	Very high	94	Very high	47 Å²	47	54.3 Å²	54.3	29%	0.285	31%	0.306	S	S	.	.	H	α-helix	trans	-58.7	-44.5	176.5	172.4	0	0	0	0	110.7	V268 F269 I274 I275 F276 W346	V268-V272 HydrophobicContact CG1-CG2 4.32Å; V268-V272 WeakPolarHBondContact O-CG2 3.4Å; V268-V272 PolarHBondContact O-N 3.41Å; F269-V272 PolarHBondContact O-N 2.94Å; V272-I274 VanDerWaalsContact C-N 3.33Å; V272-I274 PolarHBondContact O-N 2.76Å; V272-I275 WeakPolarHBondContact O-CB 3.19Å; V272-I275 PolarHBondContact O-N 3.16Å; V272-I275 VanDerWaalsContact O-N 3.16Å; V272-F276 HydrophobicContact CG1-CD2 3.75Å; V272-F276 HydrophobicContact CG1-CE2 3.53Å; V272-F276 VanDerWaalsContact O-CD2 3.25Å; V272-F276 WeakPolarHBondContact O-CD2 3.45Å; V272-F276 PolarHBondContact O-N 3.4Å; V272-W346 HydrophobicContact CB-CZ2 4.34Å; V272-W346 HydrophobicContact CG1-CH2 3.74Å; V272-W346 HydrophobicContact CG1-CZ2 3.6Å; V272-W346 HydrophobicContact CG1-CZ3 4.39Å
273	S	95.3	Very high	94.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-39.7	177.4	-56.9	0	0	0	0	112.4	F269 A270 I271 F276 I277 E350	F269-S273 WeakPolarHBondContact CE1-OG 3.27Å; F269-S273 WeakPolarHBondContact O-CB 3Å; F269-S273 PolarHBondContact O-N 2.96Å; F269-S273 PolarHBondContact O-OG 3.02Å; A270-S273 PolarHBondContact O-N 3.39Å; I271-S273 VanDerWaalsContact C-N 3.31Å; I271-S273 PolarHBondContact O-N 3.4Å; S273-F276 PolarHBondContact O-N 3.48Å; S273-I277 WeakPolarHBondContact O-CG1 3.28Å; S273-I277 PolarHBondContact O-N 2.95Å; S273-I277 VanDerWaalsContact O-N 3.12Å; S273-E350 PolarHBondContact OG-OE2 3.31Å
274	I	95.8	Very high	94.4	Very high	54 Å²	54	50.2 Å²	50.2	28%	0.277	28%	0.278	S	S	.	.	H	α-helix	trans	-64.1	-43.2	174.5	-66.8	164	0	0	0	110.9	A270 I271 V272 F276 I277 L278 L419 H422	A270-I274 VanDerWaalsContact O-CG1 3.31Å; A270-I274 WeakPolarHBondContact O-CG1 3.14Å; A270-I274 PolarHBondContact O-N 2.94Å; I271-I274 PolarHBondContact O-N 3.28Å; V272-I274 VanDerWaalsContact C-N 3.33Å; V272-I274 PolarHBondContact O-N 2.76Å; I274-F276 VanDerWaalsContact C-N 3.33Å; I274-F276 PolarHBondContact O-N 2.89Å; I274-I277 WeakPolarHBondContact O-CB 3.37Å; I274-I277 PolarHBondContact O-N 3.35Å; I274-I277 VanDerWaalsContact O-N 3.14Å; I274-L278 HydrophobicContact CG2-CD1 4.25Å; I274-L278 HydrophobicContact CG2-CG 4.47Å; I274-L278 WeakPolarHBondContact O-CG 3.46Å; I274-L278 PolarHBondContact O-N 3.07Å; I274-L419 HydrophobicContact CG2-CD2 4.15Å; I274-H422 HydrophobicContact CD1-CB 3.81Å; I274-H422 HydrophobicContact CG1-CB 4.08Å
275	I	97.5	Very high	94.3	Very high	84 Å²	84	51.1 Å²	51.1	43%	0.431	27%	0.273	S	S	.	.	H	α-helix	trans	-58.6	-45.8	177	-68.9	166.6	0	0	0	110.5	I271 V272 I277 L278 L279	I271-I275 HydrophobicContact CG2-CD1 4.01Å; I271-I275 WeakPolarHBondContact O-CG1 3.31Å; I271-I275 PolarHBondContact O-N 3.01Å; V272-I275 WeakPolarHBondContact O-CB 3.19Å; V272-I275 PolarHBondContact O-N 3.16Å; V272-I275 VanDerWaalsContact O-N 3.16Å; I275-I277 VanDerWaalsContact C-N 3.32Å; I275-I277 PolarHBondContact O-N 2.99Å; I275-L278 PolarHBondContact O-N 3.46Å; I275-L279 HydrophobicContact CG2-CD1 3.81Å; I275-L279 HydrophobicContact CG2-CG 4.15Å; I275-L279 WeakPolarHBondContact O-CB 3.49Å; I275-L279 WeakPolarHBondContact O-CG 3.31Å; I275-L279 PolarHBondContact O-N 3.38Å
276	F	97.7	Very high	94	Very high	40 Å²	40	51 Å²	51	18%	0.175	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-37.8	175.9	-81.8	-73.2	0	0	0	112.9	V272 S273 I274 S280 I342 C343 W346 F347	V272-F276 HydrophobicContact CG1-CD2 3.75Å; V272-F276 HydrophobicContact CG1-CE2 3.53Å; V272-F276 VanDerWaalsContact O-CD2 3.25Å; V272-F276 WeakPolarHBondContact O-CD2 3.45Å; V272-F276 PolarHBondContact O-N 3.4Å; S273-F276 PolarHBondContact O-N 3.48Å; I274-F276 VanDerWaalsContact C-N 3.33Å; I274-F276 PolarHBondContact O-N 2.89Å; F276-S280 WeakPolarHBondContact O-CB 3.3Å; F276-S280 PolarHBondContact O-N 3.25Å; F276-S280 PolarHBondContact O-OG 3.43Å; F276-I342 HydrophobicContact CE1-CG2 4Å; F276-C343 HydrophobicContact CD1-CB 4.32Å; F276-W346 HydrophobicContact CB-CG 4.39Å; F276-W346 HydrophobicContact CD1-CB 4.09Å; F276-W346 HydrophobicContact CD1-CG 4.23Å; F276-W346 HydrophobicContact CD2-CB 4.22Å; F276-W346 AromaticContact CD2-CD1 3.48Å; F276-W346 VanDerWaalsContact CD2-CD1 3.48Å; F276-W346 AromaticContact CD2-CD2 3.62Å; F276-W346 HydrophobicContact CD2-CD2 3.62Å; F276-W346 AromaticContact CD2-CE2 3.74Å; F276-W346 HydrophobicContact CD2-CE3 4.34Å; F276-W346 AromaticContact CD2-CG 3.5Å; F276-W346 HydrophobicContact CD2-CG 3.5Å; F276-W346 AromaticContact CD2-NE1 3.68Å; F276-W346 HydrophobicContact CE1-CB 4.16Å; F276-W346 HydrophobicContact CE1-CG 4.42Å; F276-W346 HydrophobicContact CE2-CB 4.29Å; F276-W346 AromaticContact CE2-CD2 3.5Å; F276-W346 HydrophobicContact CE2-CD2 3.5Å; F276-W346 VanDerWaalsContact CE2-CD2 3.5Å; F276-W346 AromaticContact CE2-CE2 3.92Å; F276-W346 AromaticContact CE2-CE3 3.74Å; F276-W346 HydrophobicContact CE2-CE3 3.74Å; F276-W346 AromaticContact CE2-CG 3.72Å; F276-W346 HydrophobicContact CE2-CG 3.72Å; F276-W346 HydrophobicContact CE2-CZ2 4.5Å; F276-W346 HydrophobicContact CE2-CZ3 4.32Å; F276-W346 HydrophobicContact CG-CB 4.12Å; F276-W346 AromaticContact CG-CD1 3.68Å; F276-W346 HydrophobicContact CG-CD2 4.39Å; F276-W346 AromaticContact CG-CG 3.79Å; F276-W346 HydrophobicContact CG-CG 3.79Å; F276-W346 HydrophobicContact CZ-CB 4.26Å; F276-W346 HydrophobicContact CZ-CD2 4.17Å; F276-W346 HydrophobicContact CZ-CE3 4.2Å; F276-W346 HydrophobicContact CZ-CG 4.18Å; F276-F347 HydrophobicContact CB-CE1 3.64Å; F276-F347 HydrophobicContact CB-CZ 4.08Å
277	I	95.8	Very high	93.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-47	174.3	-63.8	161.6	0	0	0	110.6	S273 I274 I275 S280 T281 F347 K418 L419	S273-I277 WeakPolarHBondContact O-CG1 3.28Å; S273-I277 PolarHBondContact O-N 2.95Å; S273-I277 VanDerWaalsContact O-N 3.12Å; I274-I277 WeakPolarHBondContact O-CB 3.37Å; I274-I277 PolarHBondContact O-N 3.35Å; I274-I277 VanDerWaalsContact O-N 3.14Å; I275-I277 VanDerWaalsContact C-N 3.32Å; I275-I277 PolarHBondContact O-N 2.99Å; I277-S280 PolarHBondContact O-N 3.34Å; I277-S280 PolarHBondContact O-OG 2.86Å; I277-T281 PolarHBondContact O-N 3.42Å; I277-T281 PolarHBondContact O-OG1 2.95Å; I277-F347 HydrophobicContact CG1-CE1 3.93Å; I277-F347 HydrophobicContact CG1-CZ 4Å; I277-K418 HydrophobicContact CD1-CB 3.81Å; I277-K418 HydrophobicContact CD1-CD 3.9Å; I277-K418 HydrophobicContact CD1-CG 3.69Å; I277-K418 HydrophobicContact CG1-CB 4.29Å; I277-K418 HydrophobicContact CG1-CD 4.07Å; I277-K418 HydrophobicContact CG1-CG 4.33Å; I277-L419 HydrophobicContact CB-CD2 4.34Å; I277-L419 HydrophobicContact CD1-CD2 4Å; I277-L419 HydrophobicContact CD1-CG 4.42Å; I277-L419 HydrophobicContact CG2-CD1 4.44Å; I277-L419 HydrophobicContact CG2-CD2 4.04Å; I277-L419 HydrophobicContact CG2-CG 3.93Å
278	L	96	Very high	93.1	Very high	89 Å²	89	48.9 Å²	48.9	47%	0.466	27%	0.268	S	S	.	.	H	α-helix	trans	-64.8	-47.8	179	-64.3	176.9	0	0	0	112	I274 I275 S280 T281 I282	I274-L278 HydrophobicContact CG2-CD1 4.25Å; I274-L278 HydrophobicContact CG2-CG 4.47Å; I274-L278 WeakPolarHBondContact O-CG 3.46Å; I274-L278 PolarHBondContact O-N 3.07Å; I275-L278 PolarHBondContact O-N 3.46Å; L278-S280 VanDerWaalsContact C-N 3.29Å; L278-S280 PolarHBondContact O-N 3.07Å; L278-T281 PolarHBondContact O-N 3.28Å; L278-T281 VanDerWaalsContact O-N 3.11Å; L278-I282 WeakPolarHBondContact O-CG1 3.35Å; L278-I282 PolarHBondContact O-N 3.25Å
279	L	95.7	Very high	92.6	Very high	80 Å²	80	48.2 Å²	48.2	42%	0.419	26%	0.259	S	S	.	.	H	α-helix	trans	-57.1	-43.3	177.4	-74.2	175.3	0	0	0	111.9	I275 T281 I282 S283	I275-L279 HydrophobicContact CG2-CD1 3.81Å; I275-L279 HydrophobicContact CG2-CG 4.15Å; I275-L279 WeakPolarHBondContact O-CB 3.49Å; I275-L279 WeakPolarHBondContact O-CG 3.31Å; I275-L279 PolarHBondContact O-N 3.38Å; L279-T281 VanDerWaalsContact C-N 3.34Å; L279-T281 PolarHBondContact O-N 3.43Å; L279-I282 PolarHBondContact O-N 3.14Å; L279-S283 WeakPolarHBondContact O-CB 3.34Å; L279-S283 PolarHBondContact O-N 2.94Å
280	S	93.6	Very high	91.7	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.007	28%	0.278	C	S	.	.	H	α-helix	trans	-68.3	-33.3	178.2	72.7	0	0	0	0	113.4	F276 I277 L278 L284 R415	F276-S280 WeakPolarHBondContact O-CB 3.3Å; F276-S280 PolarHBondContact O-N 3.25Å; F276-S280 PolarHBondContact O-OG 3.43Å; I277-S280 PolarHBondContact O-N 3.34Å; I277-S280 PolarHBondContact O-OG 2.86Å; L278-S280 VanDerWaalsContact C-N 3.29Å; L278-S280 PolarHBondContact O-N 3.07Å; S280-L284 WeakPolarHBondContact O-CB 3.42Å; S280-L284 PolarHBondContact O-N 2.96Å; S280-R415 WeakPolarHBondContact OG-CD 3.33Å
281	T	92.4	Very high	91	Very high	32 Å²	32	57.7 Å²	57.7	20%	0.196	31%	0.31	C	S	.	.	H	α-helix	trans	-70.2	-44.4	175.7	-54.8	0	0	0	0	110.4	I277 L278 L279 L284 T285 I416	I277-T281 PolarHBondContact O-N 3.42Å; I277-T281 PolarHBondContact O-OG1 2.95Å; L278-T281 PolarHBondContact O-N 3.28Å; L278-T281 VanDerWaalsContact O-N 3.11Å; L279-T281 VanDerWaalsContact C-N 3.34Å; L279-T281 PolarHBondContact O-N 3.43Å; T281-L284 PolarHBondContact O-N 2.84Å; T281-T285 WeakPolarHBondContact O-CG2 3.47Å; T281-T285 PolarHBondContact O-N 3.17Å; T281-T285 PolarHBondContact O-OG1 3.02Å; T281-I416 HydrophobicContact CG2-CD1 3.71Å; T281-I416 HydrophobicContact CG2-CG1 3.92Å; T281-I416 WeakPolarHBondContact OG1-CG1 3.39Å
282	I	92.7	Very high	89.9	Confident	88 Å²	88	55.2 Å²	55.2	45%	0.451	30%	0.297	S	S	.	.	H	α-helix	trans	-61.6	-48.5	175.9	-67.2	165.6	0	0	0	109.9	L278 L279 L284 T285 L286	L278-I282 WeakPolarHBondContact O-CG1 3.35Å; L278-I282 PolarHBondContact O-N 3.25Å; L279-I282 PolarHBondContact O-N 3.14Å; I282-L284 VanDerWaalsContact C-N 3.29Å; I282-L284 PolarHBondContact O-N 3.44Å; I282-T285 WeakPolarHBondContact CA-OG1 3.28Å; I282-T285 PolarHBondContact O-N 3.19Å; I282-T285 VanDerWaalsContact O-N 3.09Å; I282-T285 PolarHBondContact O-OG1 3.07Å; I282-L286 HydrophobicContact CG2-CD1 3.8Å; I282-L286 HydrophobicContact CG2-CG 4.09Å; I282-L286 WeakPolarHBondContact O-CG 3.49Å; I282-L286 PolarHBondContact O-N 3.47Å
283	S	90.9	Very high	88.7	Confident	4 Å²	4	54.6 Å²	54.6	3%	0.028	29%	0.291	C	S	.	.	H	α-helix	trans	-55.3	-44.9	176.7	-179.1	0	0	0	0	111.8	L279 L286 N287 L336	L279-S283 WeakPolarHBondContact O-CB 3.34Å; L279-S283 PolarHBondContact O-N 2.94Å; S283-L286 PolarHBondContact O-N 2.89Å; S283-N287 WeakPolarHBondContact O-CB 3.37Å; S283-N287 PolarHBondContact O-N 3.48Å; S283-N287 PolarHBondContact O-ND2 3.11Å; S283-L336 PolarHBondContact OG-O 2.66Å; S283-L336 VanDerWaalsContact OG-O 3.13Å
284	L	88	Confident	87.1	Confident	26 Å²	26	57.9 Å²	57.9	14%	0.136	31%	0.308	C	S	.	.	H	α-helix	trans	-61.8	-45.1	175.6	-179.7	62.2	0	0	0	112.1	S280 T281 I282 N287 T288 R412 I413	S280-L284 WeakPolarHBondContact O-CB 3.42Å; S280-L284 PolarHBondContact O-N 2.96Å; T281-L284 PolarHBondContact O-N 2.84Å; I282-L284 VanDerWaalsContact C-N 3.29Å; I282-L284 PolarHBondContact O-N 3.44Å; L284-N287 PolarHBondContact O-N 3.43Å; L284-T288 WeakPolarHBondContact O-CG2 3.47Å; L284-T288 PolarHBondContact O-N 3.23Å; L284-R412 HydrophobicContact CD2-CB 4.12Å; L284-I413 HydrophobicContact CD2-CB 4.28Å; L284-I413 HydrophobicContact CD2-CD1 4.29Å; L284-I413 HydrophobicContact CD2-CG1 3.7Å
285	T	89.7	Confident	85.2	Confident	73 Å²	73	58 Å²	58	45%	0.448	31%	0.309	S	S	.	.	H	α-helix	trans	-65.5	-40.8	177.8	55.1	0	0	0	0	112.6	T281 I282 N287 T288	T281-T285 WeakPolarHBondContact O-CG2 3.47Å; T281-T285 PolarHBondContact O-N 3.17Å; T281-T285 PolarHBondContact O-OG1 3.02Å; I282-T285 WeakPolarHBondContact CA-OG1 3.28Å; I282-T285 PolarHBondContact O-N 3.19Å; I282-T285 VanDerWaalsContact O-N 3.09Å; I282-T285 PolarHBondContact O-OG1 3.07Å; T285-N287 VanDerWaalsContact C-N 3.32Å; T285-N287 PolarHBondContact O-N 2.97Å; T285-T288 WeakPolarHBondContact O-CB 3.41Å; T285-T288 PolarHBondContact O-N 2.85Å; T285-T288 PolarHBondContact O-OG1 3.34Å
286	L	89.1	Confident	83.2	Confident	58 Å²	58	56.6 Å²	56.6	30%	0.304	30%	0.304	S	S	.	.	H	α-helix	trans	-66.1	-37	177.4	-67.3	179.3	0	0	0	111.2	I282 S283 T288 M289 I292 L336	I282-L286 HydrophobicContact CG2-CD1 3.8Å; I282-L286 HydrophobicContact CG2-CG 4.09Å; I282-L286 WeakPolarHBondContact O-CG 3.49Å; I282-L286 PolarHBondContact O-N 3.47Å; S283-L286 PolarHBondContact O-N 2.89Å; L286-T288 PolarHBondContact O-N 3.42Å; L286-T288 VanDerWaalsContact O-N 3.14Å; L286-M289 HydrophobicContact CD2-SD 4.09Å; L286-M289 WeakPolarHBondContact O-CB 3.42Å; L286-M289 PolarHBondContact O-N 3.35Å; L286-I292 HydrophobicContact CB-CD1 3.85Å; L286-I292 HydrophobicContact CD2-CD1 3.66Å; L286-I292 HydrophobicContact CG-CD1 4.26Å; L286-L336 HydrophobicContact CB-CD1 3.73Å; L286-L336 HydrophobicContact CD1-CD2 4.34Å
287	N	84.1	Confident	80.9	Confident	20 Å²	20	57.8 Å²	57.8	11%	0.107	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-10.3	171.7	-87.3	-38.6	0	0	0	113.7	S283 L284 T285 Q293 L336	S283-N287 WeakPolarHBondContact O-CB 3.37Å; S283-N287 PolarHBondContact O-N 3.48Å; S283-N287 PolarHBondContact O-ND2 3.11Å; L284-N287 PolarHBondContact O-N 3.43Å; T285-N287 VanDerWaalsContact C-N 3.32Å; T285-N287 PolarHBondContact O-N 2.97Å; N287-Q293 PolarHBondContact O-NE2 3.4Å; N287-L336 HydrophobicContact CB-CD1 4.38Å; N287-L336 WeakPolarHBondContact ND2-CB 3.22Å; N287-L336 VanDerWaalsContact OD1-CD1 3.24Å; N287-L336 WeakPolarHBondContact OD1-CD1 3.43Å
288	T	83	Confident	78.8	Confident	99 Å²	99	63.5 Å²	63.5	61%	0.607	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-12	170.7	67	0	0	0	0	113.4	L284 T285 L286	L284-T288 WeakPolarHBondContact O-CG2 3.47Å; L284-T288 PolarHBondContact O-N 3.23Å; T285-T288 WeakPolarHBondContact O-CB 3.41Å; T285-T288 PolarHBondContact O-N 2.85Å; T285-T288 PolarHBondContact O-OG1 3.34Å; L286-T288 PolarHBondContact O-N 3.42Å; L286-T288 VanDerWaalsContact O-N 3.14Å
289	M	85.1	Confident	76.8	Confident	76 Å²	76	62 Å²	62	37%	0.374	34%	0.335	S	S	.	.			trans	-83.6	121.3	-178.3	-58.1	-171.7	78.3	0	0	110.2	L286 E291 I292 Q293	L286-M289 HydrophobicContact CD2-SD 4.09Å; L286-M289 WeakPolarHBondContact O-CB 3.42Å; L286-M289 PolarHBondContact O-N 3.35Å; M289-E291 WeakPolarHBondContact CE-OE2 3.35Å; M289-E291 PolarHBondContact O-N 2.97Å; M289-I292 HydrophobicContact CB-CB 4.4Å; M289-I292 HydrophobicContact CB-CD1 4.02Å; M289-I292 HydrophobicContact CB-CG1 4.11Å; M289-I292 HydrophobicContact CG-CD1 4.38Å; M289-I292 PolarHBondContact O-N 2.91Å; M289-I292 VanDerWaalsContact O-N 3.08Å; M289-I292 HydrophobicContact SD-CD1 3.95Å; M289-Q293 PolarHBondContact O-N 3.35Å
290	P	76.9	Confident	74.7	Confident	83 Å²	83	65.1 Å²	65.1	54%	0.539	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.3	-176.9	26.9	-34.7	0	0	0	113.2	I292 L330	P290-I292 VanDerWaalsContact C-N 3.28Å; P290-I292 PolarHBondContact O-N 3.25Å; P290-L330 HydrophobicContact CB-CD2 3.75Å
291	E	78.7	Confident	72.6	Confident	158 Å²	158	72.9 Å²	72.9	74%	0.738	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-27	176	-59.6	131.3	-175.4	0	0	112.7	M289	M289-E291 WeakPolarHBondContact CE-OE2 3.35Å; M289-E291 PolarHBondContact O-N 2.97Å
292	I	74.3	Confident	70.7	Confident	48 Å²	48	77 Å²	77	25%	0.246	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-29.4	-176.4	-61	179.2	0	0	0	111	L286 M289 P290 L294 N333 L336	L286-I292 HydrophobicContact CB-CD1 3.85Å; L286-I292 HydrophobicContact CD2-CD1 3.66Å; L286-I292 HydrophobicContact CG-CD1 4.26Å; M289-I292 HydrophobicContact CB-CB 4.4Å; M289-I292 HydrophobicContact CB-CD1 4.02Å; M289-I292 HydrophobicContact CB-CG1 4.11Å; M289-I292 HydrophobicContact CG-CD1 4.38Å; M289-I292 PolarHBondContact O-N 2.91Å; M289-I292 VanDerWaalsContact O-N 3.08Å; M289-I292 HydrophobicContact SD-CD1 3.95Å; P290-I292 VanDerWaalsContact C-N 3.28Å; P290-I292 PolarHBondContact O-N 3.25Å; I292-L294 PolarHBondContact O-N 2.92Å; I292-N333 HydrophobicContact CG2-CB 4.29Å; I292-N333 PolarHBondContact O-ND2 3.2Å; I292-N333 VanDerWaalsContact O-ND2 3.12Å; I292-L336 HydrophobicContact CG2-CD1 3.67Å
293	Q	70.1	Confident	69	Low	34 Å²	34	78.6 Å²	78.6	16%	0.159	40%	0.401	C	S	.	.	S	Bend	trans	-66.2	127.1	173.2	-65.2	-177.1	21.6	0	0	109	N287 M289 L330	N287-Q293 PolarHBondContact O-NE2 3.4Å; M289-Q293 PolarHBondContact O-N 3.35Å; Q293-L330 HydrophobicContact CB-CB 4.45Å; Q293-L330 HydrophobicContact CB-CD2 3.83Å; Q293-L330 HydrophobicContact CB-CG 3.59Å; Q293-L330 HydrophobicContact CG-CD2 4.25Å; Q293-L330 HydrophobicContact CG-CG 4.36Å
294	L	63.1	Low	67.1	Low	68 Å²	68	82.5 Å²	82.5	36%	0.356	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	131.8	179.2	-68.2	176.3	0	0	0	108.5	I292 T296 I299 T331 P334	I292-L294 PolarHBondContact O-N 2.92Å; L294-T296 PolarHBondContact O-N 3.37Å; L294-I299 HydrophobicContact CB-CD1 4.05Å; L294-I299 HydrophobicContact CB-CG1 4.43Å; L294-I299 HydrophobicContact CD1-CD1 4.3Å; L294-T331 PolarHBondContact N-O 3.4Å; L294-T331 PolarHBondContact O-N 3.06Å; L294-T331 PolarHBondContact O-OG1 2.9Å; L294-P334 HydrophobicContact CD1-CG 4.22Å
295	N	55.5	Low	65.6	Low	56 Å²	56	88.7 Å²	88.7	30%	0.299	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	120.2	175.5	-141.2	0	0	0	0	107.7	T297 M298	N295-T297 PolarHBondContact O-N 3.25Å; N295-M298 HydrophobicContact CB-CG 4.5Å; N295-M298 PolarHBondContact O-N 3.38Å
296	T	54.1	Low	63.7	Low	55 Å²	55	92.2 Å²	92.2	34%	0.337	47%	0.468	S	S	.	.	H	α-helix	trans	-50.3	-30.2	-179.6	-63.8	0	0	0	0	112.4	L294 I299 K300 E329 T331	L294-T296 PolarHBondContact O-N 3.37Å; T296-I299 PolarHBondContact O-N 3.1Å; T296-K300 PolarHBondContact O-N 2.71Å; T296-E329 PolarHBondContact OG1-O 3.17Å; T296-T331 WeakPolarHBondContact OG1-CG2 3.19Å; T296-T331 PolarHBondContact OG1-OG1 3.29Å
297	T	50.2	Low	61.7	Low	65 Å²	65	97.3 Å²	97.3	40%	0.399	49%	0.49	S	S	.	.	H	α-helix	trans	-59.2	-45	174.5	50.2	0	0	0	0	112.7	N295 K300 Y301	N295-T297 PolarHBondContact O-N 3.25Å; T297-K300 PolarHBondContact O-N 2.7Å; T297-Y301 VanDerWaalsContact O-CD2 3.27Å; T297-Y301 WeakPolarHBondContact O-CD2 3.34Å; T297-Y301 PolarHBondContact O-N 3.32Å
298	M	51.7	Low	59.9	Low	120 Å²	120	101.1 Å²	101.1	59%	0.591	51%	0.514	S	S	*	.	H	α-helix	trans	-66.2	-38.9	179.7	-70.9	-71	-78.5	0	0	111.8	N295 Y301 I302	N295-M298 HydrophobicContact CB-CG 4.5Å; N295-M298 PolarHBondContact O-N 3.38Å; M298-Y301 PolarHBondContact O-N 3.03Å; M298-I302 VanDerWaalsContact O-CG1 3.28Å; M298-I302 WeakPolarHBondContact O-CG1 3.5Å; M298-I302 PolarHBondContact O-N 2.86Å
299	I	53.2	Low	58.2	Low	59 Å²	59	104.1 Å²	104.1	30%	0.303	53%	0.527	S	S	.	.	H	α-helix	trans	-63	-45.2	175.5	-61.8	176.8	0	0	0	110	L294 T296 Y301 I302 E303	L294-I299 HydrophobicContact CB-CD1 4.05Å; L294-I299 HydrophobicContact CB-CG1 4.43Å; L294-I299 HydrophobicContact CD1-CD1 4.3Å; T296-I299 PolarHBondContact O-N 3.1Å; I299-Y301 VanDerWaalsContact C-N 3.31Å; I299-Y301 PolarHBondContact O-N 3.18Å; I299-I302 PolarHBondContact O-N 2.68Å; I299-I302 VanDerWaalsContact O-N 3.16Å; I299-E303 HydrophobicContact CG2-CG 4.46Å; I299-E303 PolarHBondContact O-N 3.49Å
300	K	51.8	Low	56.2	Low	145 Å²	145	105.9 Å²	105.9	63%	0.63	54%	0.542	S	S	*	.	H	α-helix	trans	-65.3	-35.3	179.3	-149.6	174.6	-169.6	176.3	0	112.3	T296 T297 T304	T296-K300 PolarHBondContact O-N 2.71Å; T297-K300 PolarHBondContact O-N 2.7Å; K300-T304 WeakPolarHBondContact O-CB 3.24Å; K300-T304 PolarHBondContact O-N 3.3Å; K300-T304 PolarHBondContact O-OG1 3.33Å
301	Y	49.8	Very low	54.7	Low	163 Å²	163	108.1 Å²	108.1	64%	0.639	55%	0.549	S	S	*	.	H	α-helix	trans	-62.7	-46.4	171.4	-93.9	-78.5	0	0	0	111.5	T297 M298 I299 T304 E305	T297-Y301 VanDerWaalsContact O-CD2 3.27Å; T297-Y301 WeakPolarHBondContact O-CD2 3.34Å; T297-Y301 PolarHBondContact O-N 3.32Å; M298-Y301 PolarHBondContact O-N 3.03Å; I299-Y301 VanDerWaalsContact C-N 3.31Å; I299-Y301 PolarHBondContact O-N 3.18Å; Y301-T304 PolarHBondContact O-N 3.5Å; Y301-E305 PolarHBondContact O-N 2.92Å; Y301-E305 VanDerWaalsContact O-N 3.11Å
302	I	53.8	Low	53.2	Low	120 Å²	120	108.6 Å²	108.6	62%	0.615	55%	0.551	S	S	*	*	H	α-helix	trans	-65	-43	179.4	-65.7	164	0	0	0	111.7	M298 I299 T304 E305 L306	M298-I302 VanDerWaalsContact O-CG1 3.28Å; M298-I302 WeakPolarHBondContact O-CG1 3.5Å; M298-I302 PolarHBondContact O-N 2.86Å; I299-I302 PolarHBondContact O-N 2.68Å; I299-I302 VanDerWaalsContact O-N 3.16Å; I302-T304 VanDerWaalsContact C-N 3.33Å; I302-T304 PolarHBondContact O-N 2.7Å; I302-E305 PolarHBondContact O-N 2.79Å; I302-L306 PolarHBondContact O-N 3.37Å
303	E	55.7	Low	51.8	Low	121 Å²	121	113.2 Å²	113.2	57%	0.565	58%	0.576	S	S	*	*	H	α-helix	trans	-66.9	-34.3	177.5	-76.9	176	171.6	0	0	112.5	I299 L306	I299-E303 HydrophobicContact CG2-CG 4.46Å; I299-E303 PolarHBondContact O-N 3.49Å; E303-L306 PolarHBondContact O-N 2.89Å
304	T	52.1	Low	50.5	Low	86 Å²	86	117.5 Å²	117.5	53%	0.528	61%	0.605	S	S	.	*	H	α-helix	trans	-67.6	-38.8	176.6	-55.4	0	0	0	0	111	K300 Y301 I302 L306	K300-T304 WeakPolarHBondContact O-CB 3.24Å; K300-T304 PolarHBondContact O-N 3.3Å; K300-T304 PolarHBondContact O-OG1 3.33Å; Y301-T304 PolarHBondContact O-N 3.5Å; I302-T304 VanDerWaalsContact C-N 3.33Å; I302-T304 PolarHBondContact O-N 2.7Å; T304-L306 VanDerWaalsContact C-N 3.35Å; T304-L306 PolarHBondContact O-N 2.91Å
305	E	55.1	Low	49.8	Very low	156 Å²	156	119.5 Å²	119.5	73%	0.729	62%	0.62	S	S	*	*	H	α-helix	trans	-74.2	-21.7	179.2	-67.4	-154.9	174.7	0	0	114	Y301 I302	Y301-E305 PolarHBondContact O-N 2.92Å; Y301-E305 VanDerWaalsContact O-N 3.11Å; I302-E305 PolarHBondContact O-N 2.79Å
306	L	51.2	Low	49.5	Very low	147 Å²	147	124.5 Å²	124.5	77%	0.77	65%	0.647	S	S	*	*	H	α-helix	trans	-80.7	-20.7	177.7	-168.5	63.7	0	0	0	113.5	I302 E303 T304	I302-L306 PolarHBondContact O-N 3.37Å; E303-L306 PolarHBondContact O-N 2.89Å; T304-L306 VanDerWaalsContact C-N 3.35Å; T304-L306 PolarHBondContact O-N 2.91Å
307	H	47.3	Very low	48.7	Very low	164 Å²	164	127.2 Å²	127.2	76%	0.759	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	9.2	-176.4	-92.6	-68.5	0	0	0	115.6
308	T	45.8	Very low	48.1	Very low	100 Å²	100	130.3 Å²	130.3	61%	0.613	68%	0.683	S	S	*	*			trans	-101.7	38.8	-177.7	54.2	0	0	0	0	115.6
309	D	46.7	Very low	47.3	Very low	162 Å²	162	129.4 Å²	129.4	87%	0.866	68%	0.684	S	S	*	*	S	Bend	trans	-125.1	41.7	163.7	-87.9	-20.1	0	0	0	111.2
310	T	44	Very low	46.3	Very low	114 Å²	114	132.3 Å²	132.3	70%	0.699	71%	0.705	S	S	*	*	S	Bend	trans	-149.6	99.2	158.2	-46.4	0	0	0	0	110.1
311	D	43.9	Very low	45.5	Very low	130 Å²	130	130.2 Å²	130.2	70%	0.695	71%	0.709	S	S	*	*			trans	68.4	109.8	142.4	-59.1	-20.4	0	0	0	120.2
312	H	48	Very low	44.7	Very low	167 Å²	167	127.4 Å²	127.4	77%	0.773	71%	0.708	S	S	*	*			trans	69	99.2	133.4	-71.4	-68	0	0	0	118.6
313	N	44.4	Very low	43.7	Very low	145 Å²	145	126.5 Å²	126.5	78%	0.775	71%	0.713	S	S	*	*				22.9	120.4	116.9	-72.6	-15.1	0	0	0	115.7
314	T	42.5	Very low	42.7	Very low	124 Å²	124	128.2 Å²	128.2	76%	0.761	72%	0.72	S	S	*	*				174.1	136.4	111.2	-70.2	0	0	0	0	110.6
315	T	48.4	Very low	41.9	Very low	111 Å²	111	132.1 Å²	132.1	68%	0.681	73%	0.732	S	S	*	*			trans	70.7	90.9	164.3	37.2	0	0	0	0	119.4	T317	T315-T317 VanDerWaalsContact C-N 3.29Å; T315-T317 PolarHBondContact O-N 3.45Å; T315-T317 PolarHBondContact O-OG1 3.41Å
316	N	49.3	Very low	41.1	Very low	160 Å²	160	128.4 Å²	128.4	86%	0.856	72%	0.724	S	S	*	*			trans	-19.9	84.8	134.1	-57.5	-14.4	0	0	0	113.1
317	T	37.1	Very low	40.8	Very low	112 Å²	112	126.6 Å²	126.6	69%	0.687	72%	0.72	S	S	*	*			trans	-94.1	100.2	157.8	-34.5	0	0	0	0	104.7	T315 T319	T315-T317 VanDerWaalsContact C-N 3.29Å; T315-T317 PolarHBondContact O-N 3.45Å; T315-T317 PolarHBondContact O-OG1 3.41Å; T317-T319 HydrophobicContact CG2-CG2 4.45Å; T317-T319 PolarHBondContact O-N 3.34Å
318	T	37.9	Very low	40.6	Very low	130 Å²	130	124.1 Å²	124.1	80%	0.798	71%	0.713	S	S	*	*			trans	-67.6	53.9	173.3	-26.5	0	0	0	0	109.5	T320	T318-T320 VanDerWaalsContact C-N 3.26Å; T318-T320 PolarHBondContact O-N 3.09Å; T318-T320 VanDerWaalsContact O-N 3.09Å
319	T	36.3	Very low	41	Very low	101 Å²	101	123.5 Å²	123.5	62%	0.62	70%	0.703	S	S	*	*			trans	-73.6	99.8	154.6	48.4	0	0	0	0	104.6	T317 S321	T317-T319 HydrophobicContact CG2-CG2 4.45Å; T317-T319 PolarHBondContact O-N 3.34Å; T319-S321 PolarHBondContact O-N 3.5Å; T319-S321 PolarHBondContact O-OG 2.9Å
320	T	32	Very low	41.5	Very low	121 Å²	121	119.1 Å²	119.1	74%	0.742	68%	0.679	S	S	*	*			trans	-33.5	70.8	145.9	43.8	0	0	0	0	111.5	T318 T322	T318-T320 VanDerWaalsContact C-N 3.26Å; T318-T320 PolarHBondContact O-N 3.09Å; T318-T320 VanDerWaalsContact O-N 3.09Å; T320-T322 PolarHBondContact O-N 3.09Å
321	S	34.8	Very low	42.7	Very low	101 Å²	101	116 Å²	116	71%	0.706	66%	0.66	S	S	*	*			trans	-64.5	80.7	145.7	42.5	0	0	0	0	104.2	T319 S323	T319-S321 PolarHBondContact O-N 3.5Å; T319-S321 PolarHBondContact O-OG 2.9Å; S321-S323 PolarHBondContact O-N 2.74Å
322	T	31.6	Very low	44.1	Very low	104 Å²	104	112.1 Å²	112.1	64%	0.638	64%	0.639	S	S	*	*			trans	-15.3	99.7	138.6	30.9	0	0	0	0	107.2	T320 H324	T320-T322 PolarHBondContact O-N 3.09Å; T322-H324 PolarHBondContact O-N 3.23Å
323	S	33.8	Very low	45.8	Very low	101 Å²	101	105.2 Å²	105.2	71%	0.706	61%	0.608	S	S	*	*			trans	-56.9	81.4	157.1	51.9	0	0	0	0	104.5	S321 H325	S321-S323 PolarHBondContact O-N 2.74Å; S323-H325 PolarHBondContact O-N 2.93Å
324	H	35.5	Very low	47.7	Very low	156 Å²	156	101.3 Å²	101.3	72%	0.722	59%	0.591	S	S	*	*			trans	-50	95.1	143.9	-83.2	-76.6	0	0	0	102.8	T322 S326	T322-H324 PolarHBondContact O-N 3.23Å; H324-S326 PolarHBondContact O-N 3.25Å; H324-S326 PolarHBondContact O-OG 3.43Å
325	H	34.3	Very low	49.9	Very low	169 Å²	169	103.8 Å²	103.8	78%	0.782	59%	0.587	S	S	*	*			trans	-56.1	79.3	165.9	-124.4	-72	0	0	0	103.6	S323 P327	S323-H325 PolarHBondContact O-N 2.93Å; H325-P327 VanDerWaalsContact O-CD 3.27Å; H325-P327 WeakPolarHBondContact O-CD 3.33Å
326	S	39.3	Very low	51.9	Low	78 Å²	78	99.6 Å²	99.6	55%	0.545	56%	0.561	S	S	.	*			trans	-66.5	109.2	175.1	-63.3	0	0	0	0	101.7	H324 N328	H324-S326 PolarHBondContact O-N 3.25Å; H324-S326 PolarHBondContact O-OG 3.43Å; S326-N328 PolarHBondContact O-N 3.48Å
327	P	44	Very low	53.7	Low	108 Å²	108	95.5 Å²	95.5	70%	0.701	54%	0.539	S	S	*	.			trans	-56.7	121.3	-167.6	22.2	-31.2	0	0	0	106.8	H325 E329	H325-P327 VanDerWaalsContact O-CD 3.27Å; H325-P327 WeakPolarHBondContact O-CD 3.33Å; P327-E329 VanDerWaalsContact C-N 3.26Å; P327-E329 VanDerWaalsContact O-CA 3.24Å; P327-E329 WeakPolarHBondContact O-CA 3.44Å; P327-E329 PolarHBondContact O-N 3.46Å
328	N	44.4	Very low	56.3	Low	113 Å²	113	94.7 Å²	94.7	60%	0.604	53%	0.529	S	S	*	.			trans	-12.4	84.4	177.7	-74.2	-7.6	0	0	0	111.5	S326 L330	S326-N328 PolarHBondContact O-N 3.48Å; N328-L330 VanDerWaalsContact C-N 3.31Å; N328-L330 PolarHBondContact O-N 3.2Å
329	E	53.5	Low	58.9	Low	87 Å²	87	91.1 Å²	91.1	41%	0.407	51%	0.507	S	S	.	.			trans	-81.7	97.5	-168.5	-146.8	173.4	-177	0	0	104.5	T296 P327 T331 R402	T296-E329 PolarHBondContact OG1-O 3.17Å; P327-E329 VanDerWaalsContact C-N 3.26Å; P327-E329 VanDerWaalsContact O-CA 3.24Å; P327-E329 WeakPolarHBondContact O-CA 3.44Å; P327-E329 PolarHBondContact O-N 3.46Å; E329-T331 PolarHBondContact O-N 3.41Å; E329-R402 IonicContact OE1-CZ 2.63Å; E329-R402 IonicContact OE1-NH1 3.05Å; E329-R402 PolarHBondContact OE1-NH1 3.08Å; E329-R402 IonicContact OE1-NH2 3.15Å; E329-R402 PolarHBondContact OE1-NH2 2.92Å
330	L	57.7	Low	61.5	Low	69 Å²	69	86.5 Å²	86.5	36%	0.361	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	108.2	-175.5	-139.1	70.5	0	0	0	106	P290 Q293 N328	P290-L330 HydrophobicContact CB-CD2 3.75Å; Q293-L330 HydrophobicContact CB-CB 4.45Å; Q293-L330 HydrophobicContact CB-CD2 3.83Å; Q293-L330 HydrophobicContact CB-CG 3.59Å; Q293-L330 HydrophobicContact CG-CD2 4.25Å; Q293-L330 HydrophobicContact CG-CG 4.36Å; N328-L330 VanDerWaalsContact C-N 3.31Å; N328-L330 PolarHBondContact O-N 3.2Å
331	T	68.5	Low	64.4	Low	48 Å²	48	83.5 Å²	83.5	29%	0.294	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	141.3	-176.8	41.3	0	0	0	0	110.2	L294 T296 E329	L294-T331 PolarHBondContact N-O 3.4Å; L294-T331 PolarHBondContact O-N 3.06Å; L294-T331 PolarHBondContact O-OG1 2.9Å; T296-T331 WeakPolarHBondContact OG1-CG2 3.19Å; T296-T331 PolarHBondContact OG1-OG1 3.29Å; E329-T331 PolarHBondContact O-N 3.41Å
332	D	74.1	Confident	67.3	Low	49 Å²	49	82.9 Å²	82.9	26%	0.262	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-60.1	142.5	176.7	-59.7	-32	0	0	0	109.4	R409	D332-R409 IonicContact OD1-CZ 3.86Å; D332-R409 IonicContact OD1-NH1 2.75Å; D332-R409 PolarHBondContact OD1-NH1 3.38Å; D332-R409 IonicContact OD1-NH2 2.8Å; D332-R409 IonicContact OD2-CZ 3.22Å; D332-R409 IonicContact OD2-NH1 2.73Å; D332-R409 PolarHBondContact OD2-NH1 3.46Å; D332-R409 VanDerWaalsContact OD2-NH1 3.09Å; D332-R409 IonicContact OD2-NH2 3.5Å; D332-R409 PolarHBondContact OD2-NH2 2.91Å
333	N	83.2	Confident	70.4	Confident	22 Å²	22	78 Å²	78	12%	0.118	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-68.9	126.5	-177.2	-175.9	-45.5	0	0	0	110	I292 Y335 L336 D337	I292-N333 HydrophobicContact CG2-CB 4.29Å; I292-N333 PolarHBondContact O-ND2 3.2Å; I292-N333 VanDerWaalsContact O-ND2 3.12Å; N333-Y335 VanDerWaalsContact C-N 3.25Å; N333-Y335 PolarHBondContact O-N 3.1Å; N333-Y335 WeakPolarHBondContact OD1-CB 3.26Å; N333-Y335 WeakPolarHBondContact OD1-CD2 3.07Å; N333-Y335 PolarHBondContact OD1-N 3.46Å; N333-L336 HydrophobicContact CB-CB 4.22Å; N333-L336 HydrophobicContact CB-CD1 4.1Å; N333-L336 HydrophobicContact CB-CG 4.08Å; N333-L336 PolarHBondContact O-N 2.92Å; N333-D337 PolarHBondContact O-N 2.87Å
334	P	84.5	Confident	73.4	Confident	63 Å²	63	73.3 Å²	73.3	41%	0.409	39%	0.385	S	S	.	.	H	α-helix	trans	-61.4	-32.8	-174.8	24.6	-34.6	0	0	0	112.7	L294 D337 I338	L294-P334 HydrophobicContact CD1-CG 4.22Å; P334-D337 PolarHBondContact O-N 3.22Å; P334-I338 VanDerWaalsContact O-CG1 3.3Å; P334-I338 WeakPolarHBondContact O-CG1 3.4Å; P334-I338 PolarHBondContact O-N 3.45Å
335	Y	88.7	Confident	76.3	Confident	176 Å²	176	69 Å²	69	69%	0.69	37%	0.372	S	S	*	.	H	α-helix	trans	-68	-39.1	176.8	-60.6	-71	0	0	0	111.9	N333 D337 I338 V339	N333-Y335 VanDerWaalsContact C-N 3.25Å; N333-Y335 PolarHBondContact O-N 3.1Å; N333-Y335 WeakPolarHBondContact OD1-CB 3.26Å; N333-Y335 WeakPolarHBondContact OD1-CD2 3.07Å; N333-Y335 PolarHBondContact OD1-N 3.46Å; Y335-D337 VanDerWaalsContact C-N 3.34Å; Y335-I338 PolarHBondContact O-N 3.43Å; Y335-V339 WeakPolarHBondContact O-CG2 3.35Å; Y335-V339 PolarHBondContact O-N 3.26Å; Y335-V339 VanDerWaalsContact O-N 3.1Å
336	L	89.2	Confident	79.3	Confident	24 Å²	24	63.5 Å²	63.5	13%	0.126	35%	0.345	C	S	.	.	H	α-helix	trans	-71	-32.7	177	-66.3	-177.1	0	0	0	111.8	S283 L286 N287 I292 N333 V339 E340	S283-L336 PolarHBondContact OG-O 2.66Å; S283-L336 VanDerWaalsContact OG-O 3.13Å; L286-L336 HydrophobicContact CB-CD1 3.73Å; L286-L336 HydrophobicContact CD1-CD2 4.34Å; N287-L336 HydrophobicContact CB-CD1 4.38Å; N287-L336 WeakPolarHBondContact ND2-CB 3.22Å; N287-L336 VanDerWaalsContact OD1-CD1 3.24Å; N287-L336 WeakPolarHBondContact OD1-CD1 3.43Å; I292-L336 HydrophobicContact CG2-CD1 3.67Å; N333-L336 HydrophobicContact CB-CB 4.22Å; N333-L336 HydrophobicContact CB-CD1 4.1Å; N333-L336 HydrophobicContact CB-CG 4.08Å; N333-L336 PolarHBondContact O-N 2.92Å; L336-V339 PolarHBondContact O-N 3.21Å; L336-E340 VanDerWaalsContact O-CB 3.31Å; L336-E340 WeakPolarHBondContact O-CB 3.42Å; L336-E340 PolarHBondContact O-N 2.87Å
337	D	87.7	Confident	82.1	Confident	73 Å²	73	60 Å²	60	39%	0.39	32%	0.32	S	S	.	.	H	α-helix	trans	-68.7	-36.8	174.4	-164.7	47.1	0	0	0	112.3	N333 P334 Y335 E340 T341	N333-D337 PolarHBondContact O-N 2.87Å; P334-D337 PolarHBondContact O-N 3.22Å; Y335-D337 VanDerWaalsContact C-N 3.34Å; D337-E340 PolarHBondContact O-N 2.86Å; D337-T341 WeakPolarHBondContact O-CB 3.48Å; D337-T341 PolarHBondContact O-N 2.94Å; D337-T341 PolarHBondContact O-OG1 3.3Å
338	I	91.6	Very high	84.7	Confident	96 Å²	96	56 Å²	56	49%	0.492	29%	0.293	S	S	.	.	H	α-helix	trans	-61.1	-48.2	170	-69	163.5	0	0	0	110.5	P334 Y335 E340 T341 I342	P334-I338 VanDerWaalsContact O-CG1 3.3Å; P334-I338 WeakPolarHBondContact O-CG1 3.4Å; P334-I338 PolarHBondContact O-N 3.45Å; Y335-I338 PolarHBondContact O-N 3.43Å; I338-E340 VanDerWaalsContact C-N 3.31Å; I338-E340 PolarHBondContact O-N 3.02Å; I338-T341 WeakPolarHBondContact O-CB 3.35Å; I338-T341 PolarHBondContact O-N 3.27Å; I338-I342 HydrophobicContact CG2-CD1 3.93Å; I338-I342 HydrophobicContact CG2-CG1 4.49Å; I338-I342 WeakPolarHBondContact O-CG1 3.42Å; I338-I342 PolarHBondContact O-N 2.99Å
339	V	93	Very high	87.2	Confident	54 Å²	54	54.7 Å²	54.7	33%	0.327	29%	0.286	S	S	.	.	H	α-helix	trans	-59.1	-44.2	177.5	171	0	0	0	0	111.1	Y335 L336 I342 C343	Y335-V339 WeakPolarHBondContact O-CG2 3.35Å; Y335-V339 PolarHBondContact O-N 3.26Å; Y335-V339 VanDerWaalsContact O-N 3.1Å; L336-V339 PolarHBondContact O-N 3.21Å; V339-I342 PolarHBondContact O-N 3.42Å; V339-C343 PolarHBondContact O-N 2.9Å; V339-C343 PolarHBondContact O-SG 3.28Å
340	E	91.1	Very high	89.2	Confident	5 Å²	5	50.6 Å²	50.6	2%	0.023	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-45.3	177.1	176	62.3	177.5	0	0	111	L336 D337 I338 I342 C343 I344 R412 R415	L336-E340 VanDerWaalsContact O-CB 3.31Å; L336-E340 WeakPolarHBondContact O-CB 3.42Å; L336-E340 PolarHBondContact O-N 2.87Å; D337-E340 PolarHBondContact O-N 2.86Å; I338-E340 VanDerWaalsContact C-N 3.31Å; I338-E340 PolarHBondContact O-N 3.02Å; E340-I342 PolarHBondContact O-N 3.34Å; E340-C343 PolarHBondContact O-N 2.83Å; E340-I344 HydrophobicContact CG-CD1 3.73Å; E340-I344 WeakPolarHBondContact O-CD1 3.35Å; E340-I344 WeakPolarHBondContact O-CG1 3.47Å; E340-I344 PolarHBondContact O-N 2.91Å; E340-I344 WeakPolarHBondContact OE1-CD1 3.49Å; E340-R412 IonicContact OE1-NH1 2.88Å; E340-R415 IonicContact OE1-CZ 3.17Å; E340-R415 IonicContact OE1-NH1 3.99Å; E340-R415 PolarHBondContact OE1-NH1 3.11Å; E340-R415 IonicContact OE1-NH2 3.85Å; E340-R415 PolarHBondContact OE1-NH2 3.23Å; E340-R415 IonicContact OE2-CZ 3.56Å; E340-R415 IonicContact OE2-NH1 3.62Å; E340-R415 PolarHBondContact OE2-NH1 2.82Å; E340-R415 IonicContact OE2-NH2 3.56Å
341	T	92.5	Very high	91.1	Very high	58 Å²	58	48 Å²	48	36%	0.356	25%	0.252	S	S	.	.	H	α-helix	trans	-59.9	-44.1	175.9	-61.7	0	0	0	0	111.8	D337 I338 I344 S345	D337-T341 WeakPolarHBondContact O-CB 3.48Å; D337-T341 PolarHBondContact O-N 2.94Å; D337-T341 PolarHBondContact O-OG1 3.3Å; I338-T341 WeakPolarHBondContact O-CB 3.35Å; I338-T341 PolarHBondContact O-N 3.27Å; T341-I344 PolarHBondContact O-N 2.87Å; T341-S345 WeakPolarHBondContact O-CB 3.43Å; T341-S345 PolarHBondContact O-N 2.93Å
342	I	96.2	Very high	92.4	Very high	87 Å²	87	49.1 Å²	49.1	45%	0.446	26%	0.259	S	S	.	.	H	α-helix	trans	-62.1	-46.8	175.4	-65.5	167.1	0	0	0	110.3	F276 I338 V339 E340 I344 S345 W346	F276-I342 HydrophobicContact CE1-CG2 4Å; I338-I342 HydrophobicContact CG2-CD1 3.93Å; I338-I342 HydrophobicContact CG2-CG1 4.49Å; I338-I342 WeakPolarHBondContact O-CG1 3.42Å; I338-I342 PolarHBondContact O-N 2.99Å; V339-I342 PolarHBondContact O-N 3.42Å; E340-I342 PolarHBondContact O-N 3.34Å; I342-I344 PolarHBondContact O-N 3.32Å; I342-S345 PolarHBondContact O-N 3.01Å; I342-S345 PolarHBondContact O-OG 3.14Å; I342-W346 PolarHBondContact O-N 2.89Å
343	C	96.8	Very high	93.4	Very high	2 Å²	2	50 Å²	50	1%	0.014	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-44.2	179.6	-66.3	0	0	0	0	112.2	F276 V339 E340 W346 F347	F276-C343 HydrophobicContact CD1-CB 4.32Å; V339-C343 PolarHBondContact O-N 2.9Å; V339-C343 PolarHBondContact O-SG 3.28Å; E340-C343 PolarHBondContact O-N 2.83Å; C343-W346 WeakPolarHBondContact O-CB 3.47Å; C343-W346 PolarHBondContact O-N 3.45Å; C343-F347 HydrophobicContact CB-CE2 4.28Å; C343-F347 HydrophobicContact CB-CZ 4.43Å; C343-F347 WeakPolarHBondContact O-CD2 3.31Å; C343-F347 VanDerWaalsContact O-CG 3.23Å; C343-F347 WeakPolarHBondContact O-CG 3.42Å; C343-F347 PolarHBondContact O-N 3.3Å
344	I	95.2	Very high	93.9	Very high	2 Å²	2	49 Å²	49	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-66.3	-40.3	177.6	-69.2	155.1	0	0	0	110.6	E340 T341 I342 W346 F347 T348 F380 Y381	E340-I344 HydrophobicContact CG-CD1 3.73Å; E340-I344 WeakPolarHBondContact O-CD1 3.35Å; E340-I344 WeakPolarHBondContact O-CG1 3.47Å; E340-I344 PolarHBondContact O-N 2.91Å; E340-I344 WeakPolarHBondContact OE1-CD1 3.49Å; T341-I344 PolarHBondContact O-N 2.87Å; I342-I344 PolarHBondContact O-N 3.32Å; I344-W346 VanDerWaalsContact C-N 3.27Å; I344-W346 PolarHBondContact O-N 2.87Å; I344-F347 PolarHBondContact O-N 3.43Å; I344-F347 VanDerWaalsContact O-N 3.14Å; I344-T348 WeakPolarHBondContact O-CB 3.34Å; I344-T348 PolarHBondContact O-N 3.39Å; I344-T348 PolarHBondContact O-OG1 3.34Å; I344-T348 VanDerWaalsContact O-OG1 3.11Å; I344-F380 HydrophobicContact CD1-CB 3.57Å; I344-F380 HydrophobicContact CD1-CD2 3.53Å; I344-F380 HydrophobicContact CD1-CE2 4.36Å; I344-F380 HydrophobicContact CD1-CG 3.67Å; I344-F380 HydrophobicContact CG1-CB 4.32Å; I344-F380 HydrophobicContact CG2-CB 3.94Å; I344-F380 HydrophobicContact CG2-CD1 3.77Å; I344-F380 HydrophobicContact CG2-CE1 4.41Å; I344-F380 HydrophobicContact CG2-CG 3.85Å; I344-Y381 HydrophobicContact CG2-CE2 4.48Å
345	S	96.8	Very high	94.4	Very high	66 Å²	66	48.2 Å²	48.2	46%	0.462	25%	0.25	S	C	.	.	H	α-helix	trans	-57.7	-42.1	175.2	79.6	0	0	0	0	111.5	T341 I342 T348 L349	T341-S345 WeakPolarHBondContact O-CB 3.43Å; T341-S345 PolarHBondContact O-N 2.93Å; I342-S345 PolarHBondContact O-N 3.01Å; I342-S345 PolarHBondContact O-OG 3.14Å; S345-T348 PolarHBondContact O-N 3.22Å; S345-L349 VanDerWaalsContact O-CB 3.31Å; S345-L349 WeakPolarHBondContact O-CB 3.49Å; S345-L349 PolarHBondContact O-N 3.41Å
346	W	97.7	Very high	94.6	Very high	54 Å²	54	47.1 Å²	47.1	21%	0.205	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-47.7	174.1	178.2	-93.2	0	0	0	111.5	F269 V272 F276 I342 C343 I344 T348 L349 E350	F269-W346 HydrophobicContact CD2-CH2 4.18Å; F269-W346 HydrophobicContact CD2-CZ2 4.14Å; F269-W346 HydrophobicContact CE1-CZ2 4.47Å; F269-W346 AromaticContact CE2-CH2 3.71Å; F269-W346 HydrophobicContact CE2-CH2 3.71Å; F269-W346 AromaticContact CE2-CZ2 3.6Å; F269-W346 HydrophobicContact CE2-CZ2 3.6Å; F269-W346 HydrophobicContact CZ-CH2 4.32Å; F269-W346 AromaticContact CZ-CZ2 3.77Å; F269-W346 HydrophobicContact CZ-CZ2 3.77Å; V272-W346 HydrophobicContact CB-CZ2 4.34Å; V272-W346 HydrophobicContact CG1-CH2 3.74Å; V272-W346 HydrophobicContact CG1-CZ2 3.6Å; V272-W346 HydrophobicContact CG1-CZ3 4.39Å; F276-W346 HydrophobicContact CB-CG 4.39Å; F276-W346 HydrophobicContact CD1-CB 4.09Å; F276-W346 HydrophobicContact CD1-CG 4.23Å; F276-W346 HydrophobicContact CD2-CB 4.22Å; F276-W346 AromaticContact CD2-CD1 3.48Å; F276-W346 VanDerWaalsContact CD2-CD1 3.48Å; F276-W346 AromaticContact CD2-CD2 3.62Å; F276-W346 HydrophobicContact CD2-CD2 3.62Å; F276-W346 AromaticContact CD2-CE2 3.74Å; F276-W346 HydrophobicContact CD2-CE3 4.34Å; F276-W346 AromaticContact CD2-CG 3.5Å; F276-W346 HydrophobicContact CD2-CG 3.5Å; F276-W346 AromaticContact CD2-NE1 3.68Å; F276-W346 HydrophobicContact CE1-CB 4.16Å; F276-W346 HydrophobicContact CE1-CG 4.42Å; F276-W346 HydrophobicContact CE2-CB 4.29Å; F276-W346 AromaticContact CE2-CD2 3.5Å; F276-W346 HydrophobicContact CE2-CD2 3.5Å; F276-W346 VanDerWaalsContact CE2-CD2 3.5Å; F276-W346 AromaticContact CE2-CE2 3.92Å; F276-W346 AromaticContact CE2-CE3 3.74Å; F276-W346 HydrophobicContact CE2-CE3 3.74Å; F276-W346 AromaticContact CE2-CG 3.72Å; F276-W346 HydrophobicContact CE2-CG 3.72Å; F276-W346 HydrophobicContact CE2-CZ2 4.5Å; F276-W346 HydrophobicContact CE2-CZ3 4.32Å; F276-W346 HydrophobicContact CG-CB 4.12Å; F276-W346 AromaticContact CG-CD1 3.68Å; F276-W346 HydrophobicContact CG-CD2 4.39Å; F276-W346 AromaticContact CG-CG 3.79Å; F276-W346 HydrophobicContact CG-CG 3.79Å; F276-W346 HydrophobicContact CZ-CB 4.26Å; F276-W346 HydrophobicContact CZ-CD2 4.17Å; F276-W346 HydrophobicContact CZ-CE3 4.2Å; F276-W346 HydrophobicContact CZ-CG 4.18Å; I342-W346 PolarHBondContact O-N 2.89Å; C343-W346 WeakPolarHBondContact O-CB 3.47Å; C343-W346 PolarHBondContact O-N 3.45Å; I344-W346 VanDerWaalsContact C-N 3.27Å; I344-W346 PolarHBondContact O-N 2.87Å; W346-T348 PolarHBondContact O-N 3.21Å; W346-L349 PolarHBondContact O-N 2.82Å; W346-E350 PolarHBondContact NE1-OE2 2.85Å; W346-E350 VanDerWaalsContact NE1-OE2 3.11Å; W346-E350 WeakPolarHBondContact O-CB 3.21Å; W346-E350 PolarHBondContact O-N 3.28Å
347	F	97.7	Very high	94.6	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.013	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-39.9	179.4	-60.6	-24.4	0	0	0	113.2	F276 I277 C343 I344 E350 Y351 I377 K418	F276-F347 HydrophobicContact CB-CE1 3.64Å; F276-F347 HydrophobicContact CB-CZ 4.08Å; I277-F347 HydrophobicContact CG1-CE1 3.93Å; I277-F347 HydrophobicContact CG1-CZ 4Å; C343-F347 HydrophobicContact CB-CE2 4.28Å; C343-F347 HydrophobicContact CB-CZ 4.43Å; C343-F347 WeakPolarHBondContact O-CD2 3.31Å; C343-F347 VanDerWaalsContact O-CG 3.23Å; C343-F347 WeakPolarHBondContact O-CG 3.42Å; C343-F347 PolarHBondContact O-N 3.3Å; I344-F347 PolarHBondContact O-N 3.43Å; I344-F347 VanDerWaalsContact O-N 3.14Å; F347-E350 PolarHBondContact O-N 2.81Å; F347-Y351 WeakPolarHBondContact O-CB 3.45Å; F347-Y351 PolarHBondContact O-N 3.47Å; F347-I377 HydrophobicContact CB-CG2 3.43Å; F347-I377 VanDerWaalsContact CB-CG2 3.43Å; F347-I377 HydrophobicContact CG-CG2 4.49Å; F347-K418 HydrophobicContact CD1-CD 4.44Å
348	T	97.8	Very high	94.6	Very high	25 Å²	25	43.3 Å²	43.3	15%	0.153	23%	0.226	C	C	.	.	H	α-helix	trans	-63.7	-48.7	175.1	-62.4	0	0	0	0	110.5	I344 S345 W346 E350 Y351 V352 Y381	I344-T348 WeakPolarHBondContact O-CB 3.34Å; I344-T348 PolarHBondContact O-N 3.39Å; I344-T348 PolarHBondContact O-OG1 3.34Å; I344-T348 VanDerWaalsContact O-OG1 3.11Å; S345-T348 PolarHBondContact O-N 3.22Å; W346-T348 PolarHBondContact O-N 3.21Å; T348-E350 VanDerWaalsContact C-N 3.32Å; T348-E350 PolarHBondContact O-N 3.3Å; T348-Y351 PolarHBondContact O-N 2.89Å; T348-V352 HydrophobicContact CG2-CG2 4.2Å; T348-V352 WeakPolarHBondContact O-CB 3.46Å; T348-V352 VanDerWaalsContact O-CG2 3.28Å; T348-V352 WeakPolarHBondContact O-CG2 3.38Å; T348-V352 PolarHBondContact O-N 3.37Å; T348-Y381 WeakPolarHBondContact CB-OH 3.31Å; T348-Y381 HydrophobicContact CG2-CE2 4.43Å; T348-Y381 VanDerWaalsContact CG2-OH 3.24Å; T348-Y381 WeakPolarHBondContact CG2-OH 3.4Å; T348-Y381 WeakPolarHBondContact OG1-CE2 3.29Å; T348-Y381 PolarHBondContact OG1-OH 3.46Å
349	L	97.5	Very high	94.2	Very high	86 Å²	86	41 Å²	41	45%	0.45	22%	0.217	S	C	.	.	H	α-helix	trans	-57.9	-47.9	177.4	-179.4	156.5	0	0	0	110.6	S345 W346 Y351 V352 L353	S345-L349 VanDerWaalsContact O-CB 3.31Å; S345-L349 WeakPolarHBondContact O-CB 3.49Å; S345-L349 PolarHBondContact O-N 3.41Å; W346-L349 PolarHBondContact O-N 2.82Å; L349-Y351 VanDerWaalsContact C-N 3.33Å; L349-Y351 PolarHBondContact O-N 3.49Å; L349-V352 PolarHBondContact O-N 2.9Å; L349-L353 HydrophobicContact CD2-CD1 3.39Å; L349-L353 HydrophobicContact CD2-CG 4Å; L349-L353 HydrophobicContact CG-CD1 4.25Å; L349-L353 HydrophobicContact CG-CG 4.44Å; L349-L353 WeakPolarHBondContact O-CB 3.3Å; L349-L353 VanDerWaalsContact O-CG 3.31Å; L349-L353 WeakPolarHBondContact O-CG 3.4Å; L349-L353 PolarHBondContact O-N 3.34Å
350	E	96.1	Very high	93.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.7	-44.7	177.9	-170.3	-170.1	129.9	0	0	111.7	F269 S273 W346 F347 T348 R354 K418	F269-E350 HydrophobicContact CE1-CG 3.9Å; F269-E350 HydrophobicContact CZ-CB 4.49Å; F269-E350 HydrophobicContact CZ-CG 3.89Å; S273-E350 PolarHBondContact OG-OE2 3.31Å; W346-E350 PolarHBondContact NE1-OE2 2.85Å; W346-E350 VanDerWaalsContact NE1-OE2 3.11Å; W346-E350 WeakPolarHBondContact O-CB 3.21Å; W346-E350 PolarHBondContact O-N 3.28Å; F347-E350 PolarHBondContact O-N 2.81Å; T348-E350 VanDerWaalsContact C-N 3.32Å; T348-E350 PolarHBondContact O-N 3.3Å; E350-R354 VanDerWaalsContact CG-CZ 3.48Å; E350-R354 VanDerWaalsContact CG-NH1 3.32Å; E350-R354 VanDerWaalsContact CG-NH2 3.31Å; E350-R354 WeakPolarHBondContact O-CB 3.48Å; E350-R354 WeakPolarHBondContact O-CG 3.28Å; E350-R354 PolarHBondContact O-N 3.05Å; E350-R354 IonicContact OE1-CZ 2.96Å; E350-R354 IonicContact OE1-NH1 3.67Å; E350-R354 PolarHBondContact OE1-NH1 2.88Å; E350-R354 IonicContact OE1-NH2 3.77Å; E350-R354 PolarHBondContact OE1-NH2 3.36Å; E350-K418 WeakPolarHBondContact OE1-CE 3.46Å; E350-K418 IonicContact OE1-NZ 3Å; E350-K418 PolarHBondContact OE1-NZ 3.49Å; E350-K418 IonicContact OE2-NZ 2.62Å; E350-K418 PolarHBondContact OE2-NZ 3.31Å
351	Y	97.1	Very high	93.8	Very high	14 Å²	14	45.4 Å²	45.4	6%	0.055	24%	0.235	C	C	.	.	H	α-helix	trans	-66	-46.7	177.1	-171.5	-99.2	0	0	0	112.6	F347 T348 L349 R354 L355 F364 L365 N370 D373 L374	F347-Y351 WeakPolarHBondContact O-CB 3.45Å; F347-Y351 PolarHBondContact O-N 3.47Å; T348-Y351 PolarHBondContact O-N 2.89Å; L349-Y351 VanDerWaalsContact C-N 3.33Å; L349-Y351 PolarHBondContact O-N 3.49Å; Y351-R354 PolarHBondContact O-N 2.99Å; Y351-L355 WeakPolarHBondContact O-CB 3.25Å; Y351-L355 PolarHBondContact O-N 3.43Å; Y351-F364 HydrophobicContact CD2-CE1 4.47Å; Y351-F364 AromaticContact CE2-CE1 3.88Å; Y351-F364 HydrophobicContact CE2-CE1 3.88Å; Y351-F364 HydrophobicContact CE2-CZ 4.39Å; Y351-F364 AromaticContact CZ-CE1 3.98Å; Y351-L365 WeakPolarHBondContact OH-CD2 3.48Å; Y351-N370 HydrophobicContact CE2-CB 4.37Å; Y351-N370 VanDerWaalsContact CE2-O 3.28Å; Y351-N370 WeakPolarHBondContact CE2-O 3.4Å; Y351-D373 HydrophobicContact CD2-CB 3.63Å; Y351-D373 HydrophobicContact CE2-CB 3.98Å; Y351-L374 HydrophobicContact CE1-CD1 4.03Å; Y351-L374 HydrophobicContact CE2-CB 4.05Å
352	V	96.8	Very high	93.7	Very high	72 Å²	72	47.6 Å²	47.6	44%	0.436	24%	0.244	S	C	.	.	H	α-helix	trans	-63.7	-44.2	-179.9	170.5	0	0	0	0	110.7	T348 L349 L355 W356	T348-V352 HydrophobicContact CG2-CG2 4.2Å; T348-V352 WeakPolarHBondContact O-CB 3.46Å; T348-V352 VanDerWaalsContact O-CG2 3.28Å; T348-V352 WeakPolarHBondContact O-CG2 3.38Å; T348-V352 PolarHBondContact O-N 3.37Å; L349-V352 PolarHBondContact O-N 2.9Å; V352-L355 PolarHBondContact O-N 3.48Å; V352-W356 WeakPolarHBondContact O-CB 3.45Å; V352-W356 PolarHBondContact O-N 3.21Å
353	L	95.4	Very high	93.4	Very high	67 Å²	67	48.9 Å²	48.9	35%	0.351	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-42.9	176.3	-71.8	-175.1	0	0	0	111.5	L257 L349 L355 W356 C357	L257-L353 HydrophobicContact CD1-CB 3.67Å; L349-L353 HydrophobicContact CD2-CD1 3.39Å; L349-L353 HydrophobicContact CD2-CG 4Å; L349-L353 HydrophobicContact CG-CD1 4.25Å; L349-L353 HydrophobicContact CG-CG 4.44Å; L349-L353 WeakPolarHBondContact O-CB 3.3Å; L349-L353 VanDerWaalsContact O-CG 3.31Å; L349-L353 WeakPolarHBondContact O-CG 3.4Å; L349-L353 PolarHBondContact O-N 3.34Å; L353-L355 PolarHBondContact O-N 3.05Å; L353-W356 PolarHBondContact O-N 2.91Å; L353-C357 WeakPolarHBondContact O-CB 3.48Å; L353-C357 PolarHBondContact O-N 2.88Å; L353-C357 PolarHBondContact O-SG 3.14Å
354	R	93.7	Very high	93.2	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-62.3	-43.8	174.6	-78	-168	-167.8	105.7	15.5	112.3	L257 E258 E350 Y351 W356 C357 S358 F364 D373	L257-R354 HydrophobicContact CB-CG 3.7Å; L257-R354 HydrophobicContact CD1-CG 4.01Å; L257-R354 HydrophobicContact CG-CG 4.4Å; L257-R354 PolarHBondContact O-NE 3.42Å; L257-R354 PolarHBondContact O-NH2 2.9Å; E258-R354 IonicContact OE2-NE 3.74Å; E350-R354 VanDerWaalsContact CG-CZ 3.48Å; E350-R354 VanDerWaalsContact CG-NH1 3.32Å; E350-R354 VanDerWaalsContact CG-NH2 3.31Å; E350-R354 WeakPolarHBondContact O-CB 3.48Å; E350-R354 WeakPolarHBondContact O-CG 3.28Å; E350-R354 PolarHBondContact O-N 3.05Å; E350-R354 IonicContact OE1-CZ 2.96Å; E350-R354 IonicContact OE1-NH1 3.67Å; E350-R354 PolarHBondContact OE1-NH1 2.88Å; E350-R354 IonicContact OE1-NH2 3.77Å; E350-R354 PolarHBondContact OE1-NH2 3.36Å; Y351-R354 PolarHBondContact O-N 2.99Å; R354-W356 VanDerWaalsContact C-N 3.33Å; R354-W356 PolarHBondContact O-N 3.02Å; R354-C357 PolarHBondContact O-N 3.32Å; R354-S358 WeakPolarHBondContact O-CB 3.29Å; R354-S358 PolarHBondContact O-N 3.18Å; R354-F364 HydrophobicContact CB-CE2 3.75Å; R354-F364 HydrophobicContact CB-CZ 3.61Å; R354-D373 IonicContact NH1-OD2 2.77Å; R354-D373 PolarHBondContact NH1-OD2 3.22Å; R354-D373 VanDerWaalsContact NH1-OD2 3.15Å
355	L	94.5	Very high	93.1	Very high	47 Å²	47	52.2 Å²	52.2	25%	0.246	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-45.1	176.2	-179.4	63	0	0	0	110	Y351 V352 L353 S358 K361 F364 L365	Y351-L355 WeakPolarHBondContact O-CB 3.25Å; Y351-L355 PolarHBondContact O-N 3.43Å; V352-L355 PolarHBondContact O-N 3.48Å; L353-L355 PolarHBondContact O-N 3.05Å; L355-S358 PolarHBondContact O-N 2.77Å; L355-S358 PolarHBondContact O-OG 2.8Å; L355-K361 HydrophobicContact CD1-CB 4.06Å; L355-K361 HydrophobicContact CD1-CD 4.03Å; L355-K361 HydrophobicContact CG-CD 4.46Å; L355-K361 VanDerWaalsContact O-CD 3.24Å; L355-K361 WeakPolarHBondContact O-CD 3.39Å; L355-K361 WeakPolarHBondContact O-CE 3.38Å; L355-K361 PolarHBondContact O-NZ 2.75Å; L355-F364 HydrophobicContact CB-CD1 4.38Å; L355-F364 HydrophobicContact CB-CE1 4.1Å; L355-F364 HydrophobicContact CD1-CD1 3.58Å; L355-F364 HydrophobicContact CD1-CE1 4.12Å; L355-F364 HydrophobicContact CD1-CG 4.23Å; L355-L365 HydrophobicContact CD1-CD2 4.35Å; L355-L365 HydrophobicContact CD1-CG 4.43Å
356	W	91.6	Very high	93	Very high	154 Å²	154	56.2 Å²	56.2	58%	0.583	27%	0.273	S	S	*	.	H	α-helix	trans	-60.9	-50.3	176.3	-171.5	-40.2	0	0	0	111.6	Y246 V352 L353 R354 S358 K361	Y246-W356 PolarHBondContact OH-NE1 3.45Å; V352-W356 WeakPolarHBondContact O-CB 3.45Å; V352-W356 PolarHBondContact O-N 3.21Å; L353-W356 PolarHBondContact O-N 2.91Å; R354-W356 VanDerWaalsContact C-N 3.33Å; R354-W356 PolarHBondContact O-N 3.02Å; W356-S358 PolarHBondContact O-N 3.15Å; W356-K361 PolarHBondContact O-NZ 3.09Å
357	C	89.7	Confident	92.7	Very high	16 Å²	16	56.8 Å²	56.8	11%	0.108	28%	0.275	C	S	.	.	H	α-helix	trans	-66.6	-23.3	-179.6	-68.3	0	0	0	0	112.5	F241 W254 L353 R354	F241-C357 WeakPolarHBondContact CE1-O 3.47Å; W254-C357 HydrophobicContact CB-CB 4.33Å; W254-C357 HydrophobicContact CE3-CB 4.47Å; L353-C357 WeakPolarHBondContact O-CB 3.48Å; L353-C357 PolarHBondContact O-N 2.88Å; L353-C357 PolarHBondContact O-SG 3.14Å; R354-C357 PolarHBondContact O-N 3.32Å
358	S	88.6	Confident	92.5	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.007	30%	0.303	C	S	.	.			trans	-63.5	143.4	-179	74	0	0	0	0	113.4	R354 L355 W356 K361	R354-S358 WeakPolarHBondContact O-CB 3.29Å; R354-S358 PolarHBondContact O-N 3.18Å; L355-S358 PolarHBondContact O-N 2.77Å; L355-S358 PolarHBondContact O-OG 2.8Å; W356-S358 PolarHBondContact O-N 3.15Å; S358-K361 PolarHBondContact O-NZ 3Å; S358-K361 WeakPolarHBondContact OG-CD 3.37Å
359	P	82.6	Confident	92.3	Very high	47 Å²	47	62.4 Å²	62.4	31%	0.305	30%	0.303	S	S	.	.	S	Bend	trans	-71	-48.6	177	25.7	-30.7	0	0	0	111.3	E240 F241	E240-P359 HydrophobicContact CB-CB 4.25Å; F241-P359 HydrophobicContact CD1-CB 4.3Å; F241-P359 HydrophobicContact CE1-CB 4.09Å; F241-P359 HydrophobicContact CE1-CG 4.17Å; F241-P359 HydrophobicContact CZ-CG 4.26Å
360	N	85.4	Confident	92.2	Very high	74 Å²	74	58.3 Å²	58.3	40%	0.396	28%	0.281	S	S	.	.			trans	-115.4	110	179.7	-174.4	-37.3	0	0	0	111.4	L362 K363 F364	N360-L362 PolarHBondContact O-N 3.46Å; N360-L362 PolarHBondContact OD1-N 2.73Å; N360-L362 VanDerWaalsContact OD1-N 3.16Å; N360-K363 HydrophobicContact CB-CB 3.92Å; N360-K363 PolarHBondContact O-N 3.43Å; N360-K363 PolarHBondContact OD1-N 3.07Å; N360-F364 WeakPolarHBondContact O-CB 3.4Å; N360-F364 PolarHBondContact O-N 3.13Å
361	K	89.8	Confident	92.2	Very high	78 Å²	78	61.3 Å²	61.3	34%	0.339	30%	0.297	S	S	.	.	H	α-helix	trans	-64.5	-42.3	-174.8	-48.6	-49.6	-177.6	-167.8	0	112.4	L355 W356 S358 F364 L365	L355-K361 HydrophobicContact CD1-CB 4.06Å; L355-K361 HydrophobicContact CD1-CD 4.03Å; L355-K361 HydrophobicContact CG-CD 4.46Å; L355-K361 VanDerWaalsContact O-CD 3.24Å; L355-K361 WeakPolarHBondContact O-CD 3.39Å; L355-K361 WeakPolarHBondContact O-CE 3.38Å; L355-K361 PolarHBondContact O-NZ 2.75Å; W356-K361 PolarHBondContact O-NZ 3.09Å; S358-K361 PolarHBondContact O-NZ 3Å; S358-K361 WeakPolarHBondContact OG-CD 3.37Å; K361-F364 WeakPolarHBondContact O-CB 3.39Å; K361-F364 PolarHBondContact O-N 3.37Å; K361-L365 VanDerWaalsContact O-CG 3.31Å; K361-L365 WeakPolarHBondContact O-CG 3.3Å; K361-L365 PolarHBondContact O-N 2.86Å
362	L	91.9	Very high	92.1	Very high	104 Å²	104	62.6 Å²	62.6	55%	0.545	30%	0.304	S	S	.	.	H	α-helix	trans	-69.1	-40.3	-178.7	-175.1	62	0	0	0	111.4	N360 F364 L365 K366	N360-L362 PolarHBondContact O-N 3.46Å; N360-L362 PolarHBondContact OD1-N 2.73Å; N360-L362 VanDerWaalsContact OD1-N 3.16Å; L362-F364 VanDerWaalsContact C-N 3.3Å; L362-F364 PolarHBondContact O-N 3.29Å; L362-L365 PolarHBondContact O-N 2.82Å; L362-K366 HydrophobicContact CG-CD 4.48Å; L362-K366 WeakPolarHBondContact O-CG 3.21Å; L362-K366 PolarHBondContact O-N 3.21Å; L362-K366 VanDerWaalsContact O-N 3.09Å
363	K	88.9	Confident	92	Very high	114 Å²	114	59.5 Å²	59.5	50%	0.496	29%	0.285	S	S	.	.	H	α-helix	trans	-65.1	-36.5	173.8	-169.4	178.4	-179.1	-178.3	0	111.4	N360 R367	N360-K363 HydrophobicContact CB-CB 3.92Å; N360-K363 PolarHBondContact O-N 3.43Å; N360-K363 PolarHBondContact OD1-N 3.07Å; K363-R367 PolarHBondContact O-N 2.9Å
364	F	92	Very high	92.1	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.009	29%	0.286	C	S	.	.	H	α-helix	trans	-60.8	-52.2	171.8	179.1	-85.2	0	0	0	110.9	W254 Y351 R354 L355 N360 K361 L362 K366 R367 N370	W254-F364 AromaticContact CH2-CD2 3.87Å; W254-F364 HydrophobicContact CH2-CD2 3.87Å; W254-F364 HydrophobicContact CH2-CE2 4.18Å; W254-F364 AromaticContact CZ3-CD2 3.75Å; W254-F364 HydrophobicContact CZ3-CD2 3.75Å; W254-F364 AromaticContact CZ3-CE2 3.89Å; W254-F364 HydrophobicContact CZ3-CE2 3.89Å; Y351-F364 HydrophobicContact CD2-CE1 4.47Å; Y351-F364 AromaticContact CE2-CE1 3.88Å; Y351-F364 HydrophobicContact CE2-CE1 3.88Å; Y351-F364 HydrophobicContact CE2-CZ 4.39Å; Y351-F364 AromaticContact CZ-CE1 3.98Å; R354-F364 HydrophobicContact CB-CE2 3.75Å; R354-F364 HydrophobicContact CB-CZ 3.61Å; L355-F364 HydrophobicContact CB-CD1 4.38Å; L355-F364 HydrophobicContact CB-CE1 4.1Å; L355-F364 HydrophobicContact CD1-CD1 3.58Å; L355-F364 HydrophobicContact CD1-CE1 4.12Å; L355-F364 HydrophobicContact CD1-CG 4.23Å; N360-F364 WeakPolarHBondContact O-CB 3.4Å; N360-F364 PolarHBondContact O-N 3.13Å; K361-F364 WeakPolarHBondContact O-CB 3.39Å; K361-F364 PolarHBondContact O-N 3.37Å; L362-F364 VanDerWaalsContact C-N 3.3Å; L362-F364 PolarHBondContact O-N 3.29Å; F364-K366 PolarHBondContact O-N 3.23Å; F364-R367 WeakPolarHBondContact O-CB 3.15Å; F364-R367 PolarHBondContact O-N 3.37Å; F364-R367 VanDerWaalsContact O-N 3.09Å; F364-N370 HydrophobicContact CD1-CB 4.27Å; F364-N370 WeakPolarHBondContact CD1-ND2 3.23Å; F364-N370 WeakPolarHBondContact CD2-ND2 3.48Å; F364-N370 HydrophobicContact CE1-CB 3.9Å; F364-N370 WeakPolarHBondContact CE2-ND2 3.45Å; F364-N370 WeakPolarHBondContact CG-ND2 3.47Å; F364-N370 HydrophobicContact CZ-CB 4.05Å; F364-N370 VanDerWaalsContact CZ-CG 3.42Å; F364-N370 VanDerWaalsContact CZ-ND2 3.33Å; F364-N370 WeakPolarHBondContact CZ-ND2 3.29Å; F364-N370 WeakPolarHBondContact O-CB 3.33Å; F364-N370 PolarHBondContact O-ND2 3.39Å
365	L	94.7	Very high	92.1	Very high	71 Å²	71	63 Å²	63	37%	0.372	30%	0.303	S	S	.	.	H	α-helix	trans	-60.4	-32.3	-178.9	-68.1	173.2	0	0	0	113.1	Y351 L355 K361 L362 R367 I371	Y351-L365 WeakPolarHBondContact OH-CD2 3.48Å; L355-L365 HydrophobicContact CD1-CD2 4.35Å; L355-L365 HydrophobicContact CD1-CG 4.43Å; K361-L365 VanDerWaalsContact O-CG 3.31Å; K361-L365 WeakPolarHBondContact O-CG 3.3Å; K361-L365 PolarHBondContact O-N 2.86Å; L362-L365 PolarHBondContact O-N 2.82Å; L365-R367 VanDerWaalsContact C-N 3.33Å; L365-R367 PolarHBondContact O-N 3.14Å; L365-I371 VanDerWaalsContact O-CG1 3.29Å; L365-I371 WeakPolarHBondContact O-CG1 3.42Å
366	K	94	Very high	92.2	Very high	150 Å²	150	60.8 Å²	60.8	65%	0.652	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-11.5	178.5	-71	177.6	-179.7	-176.5	0	114.5	L362 F364	L362-K366 HydrophobicContact CG-CD 4.48Å; L362-K366 WeakPolarHBondContact O-CG 3.21Å; L362-K366 PolarHBondContact O-N 3.21Å; L362-K366 VanDerWaalsContact O-N 3.09Å; F364-K366 PolarHBondContact O-N 3.23Å
367	R	91.8	Very high	92.3	Very high	67 Å²	67	54 Å²	54	25%	0.253	27%	0.266	S	S	.	.	S	Bend	trans	-76.2	129	-178.7	-177.1	167.7	73.7	-110.3	14	110.3	E258 K363 F364 L365 L369 N370 I371	E258-R367 IonicContact OE1-CZ 3.61Å; E258-R367 IonicContact OE1-NE 3.34Å; E258-R367 IonicContact OE1-NH2 3.54Å; E258-R367 PolarHBondContact OE1-NH2 2.89Å; E258-R367 IonicContact OE2-NH2 2.83Å; E258-R367 PolarHBondContact OE2-NH2 3.19Å; K363-R367 PolarHBondContact O-N 2.9Å; F364-R367 WeakPolarHBondContact O-CB 3.15Å; F364-R367 PolarHBondContact O-N 3.37Å; F364-R367 VanDerWaalsContact O-N 3.09Å; L365-R367 VanDerWaalsContact C-N 3.33Å; L365-R367 PolarHBondContact O-N 3.14Å; R367-L369 VanDerWaalsContact C-N 3.3Å; R367-L369 PolarHBondContact O-N 3.27Å; R367-N370 HydrophobicContact CB-CB 4.44Å; R367-N370 PolarHBondContact NE-ND2 3.21Å; R367-N370 PolarHBondContact NH1-ND2 2.93Å; R367-N370 PolarHBondContact NH2-ND2 3.41Å; R367-N370 VanDerWaalsContact NH2-ND2 3.14Å; R367-N370 PolarHBondContact NH2-OD1 2.89Å; R367-N370 WeakPolarHBondContact O-CA 3.08Å; R367-N370 WeakPolarHBondContact O-CB 3.04Å; R367-N370 PolarHBondContact O-N 2.88Å; R367-I371 PolarHBondContact O-N 3.42Å
368	I	93.3	Very high	92.5	Very high	116 Å²	116	56.8 Å²	56.8	60%	0.595	28%	0.28	S	S	*	.	H	α-helix	trans	-53.5	-42.1	-175	-167	63.5	0	0	0	113.7	N370 I371 I372	I368-N370 VanDerWaalsContact C-N 3.25Å; I368-N370 PolarHBondContact O-N 3.23Å; I368-I371 WeakPolarHBondContact O-CB 3.5Å; I368-I371 PolarHBondContact O-N 3.02Å; I368-I371 VanDerWaalsContact O-N 3.15Å; I368-I372 WeakPolarHBondContact O-CG1 3.23Å; I368-I372 PolarHBondContact O-N 2.8Å
369	L	92.9	Very high	92.7	Very high	30 Å²	30	56.9 Å²	56.9	16%	0.157	28%	0.281	C	S	.	.	H	α-helix	trans	-63	-32.6	177.9	-62.9	178.4	0	0	0	112.3	R367 D373 A420	R367-L369 VanDerWaalsContact C-N 3.3Å; R367-L369 PolarHBondContact O-N 3.27Å; L369-D373 VanDerWaalsContact O-CG 3.3Å; L369-D373 PolarHBondContact O-N 3.45Å; L369-D373 VanDerWaalsContact O-N 3.13Å; L369-A420 HydrophobicContact CD2-CB 4.17Å
370	N	95.4	Very high	93.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-81.7	-26.6	177.3	-59.7	-17.1	0	0	0	112.2	Y351 F364 R367 I368 I372 D373 L374 R421	Y351-N370 HydrophobicContact CE2-CB 4.37Å; Y351-N370 VanDerWaalsContact CE2-O 3.28Å; Y351-N370 WeakPolarHBondContact CE2-O 3.4Å; F364-N370 HydrophobicContact CD1-CB 4.27Å; F364-N370 WeakPolarHBondContact CD1-ND2 3.23Å; F364-N370 WeakPolarHBondContact CD2-ND2 3.48Å; F364-N370 HydrophobicContact CE1-CB 3.9Å; F364-N370 WeakPolarHBondContact CE2-ND2 3.45Å; F364-N370 WeakPolarHBondContact CG-ND2 3.47Å; F364-N370 HydrophobicContact CZ-CB 4.05Å; F364-N370 VanDerWaalsContact CZ-CG 3.42Å; F364-N370 VanDerWaalsContact CZ-ND2 3.33Å; F364-N370 WeakPolarHBondContact CZ-ND2 3.29Å; F364-N370 WeakPolarHBondContact O-CB 3.33Å; F364-N370 PolarHBondContact O-ND2 3.39Å; R367-N370 HydrophobicContact CB-CB 4.44Å; R367-N370 PolarHBondContact NE-ND2 3.21Å; R367-N370 PolarHBondContact NH1-ND2 2.93Å; R367-N370 PolarHBondContact NH2-ND2 3.41Å; R367-N370 VanDerWaalsContact NH2-ND2 3.14Å; R367-N370 PolarHBondContact NH2-OD1 2.89Å; R367-N370 WeakPolarHBondContact O-CA 3.08Å; R367-N370 WeakPolarHBondContact O-CB 3.04Å; R367-N370 PolarHBondContact O-N 2.88Å; I368-N370 VanDerWaalsContact C-N 3.25Å; I368-N370 PolarHBondContact O-N 3.23Å; N370-I372 VanDerWaalsContact C-N 3.33Å; N370-D373 PolarHBondContact O-N 2.94Å; N370-L374 WeakPolarHBondContact O-CB 3.44Å; N370-L374 PolarHBondContact O-N 3.3Å; N370-R421 PolarHBondContact OD1-NH2 2.85Å
371	I	96.2	Very high	93.5	Very high	63 Å²	63	58 Å²	58	32%	0.323	28%	0.275	S	S	.	.	H	α-helix	trans	-66.2	-41.8	170.5	-63.7	171.8	0	0	0	109.4	L365 R367 I368 L374 I375	L365-I371 VanDerWaalsContact O-CG1 3.29Å; L365-I371 WeakPolarHBondContact O-CG1 3.42Å; R367-I371 PolarHBondContact O-N 3.42Å; I368-I371 WeakPolarHBondContact O-CB 3.5Å; I368-I371 PolarHBondContact O-N 3.02Å; I368-I371 VanDerWaalsContact O-N 3.15Å; I371-L374 PolarHBondContact O-N 3.34Å; I371-I375 HydrophobicContact CG2-CD1 3.76Å; I371-I375 HydrophobicContact CG2-CG1 4.35Å; I371-I375 WeakPolarHBondContact O-CG1 3.41Å; I371-I375 PolarHBondContact O-N 3.35Å
372	I	95.2	Very high	93.5	Very high	41 Å²	41	56.1 Å²	56.1	21%	0.21	27%	0.268	C	S	.	.	H	α-helix	trans	-59.1	-47.8	173.5	-68.5	167.5	0	0	0	110.6	I368 N370 L374 I375 A376 F417	I368-I372 WeakPolarHBondContact O-CG1 3.23Å; I368-I372 PolarHBondContact O-N 2.8Å; N370-I372 VanDerWaalsContact C-N 3.33Å; I372-L374 VanDerWaalsContact C-N 3.27Å; I372-L374 PolarHBondContact O-N 3.38Å; I372-I375 PolarHBondContact O-N 2.9Å; I372-A376 WeakPolarHBondContact O-CB 3.46Å; I372-A376 PolarHBondContact O-N 2.97Å; I372-F417 HydrophobicContact CG2-CB 3.73Å
373	D	95.7	Very high	93.3	Very high	7 Å²	7	53.7 Å²	53.7	4%	0.037	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-37.9	177	-66.8	-5.1	0	0	0	112.1	Y351 R354 L369 N370 A376 K418 R421	Y351-D373 HydrophobicContact CD2-CB 3.63Å; Y351-D373 HydrophobicContact CE2-CB 3.98Å; R354-D373 IonicContact NH1-OD2 2.77Å; R354-D373 PolarHBondContact NH1-OD2 3.22Å; R354-D373 VanDerWaalsContact NH1-OD2 3.15Å; L369-D373 VanDerWaalsContact O-CG 3.3Å; L369-D373 PolarHBondContact O-N 3.45Å; L369-D373 VanDerWaalsContact O-N 3.13Å; N370-D373 PolarHBondContact O-N 2.94Å; D373-A376 WeakPolarHBondContact O-CB 3.39Å; D373-K418 WeakPolarHBondContact OD1-CG 3.44Å; D373-R421 IonicContact OD1-NE 3.23Å; D373-R421 IonicContact OD2-CZ 2.71Å; D373-R421 IonicContact OD2-NE 2.95Å; D373-R421 PolarHBondContact OD2-NE 3.11Å; D373-R421 IonicContact OD2-NH2 3.48Å; D373-R421 PolarHBondContact OD2-NH2 2.79Å
374	L	96	Very high	93.2	Very high	71 Å²	71	51.7 Å²	51.7	37%	0.372	25%	0.251	S	S	.	.	H	α-helix	trans	-70.4	-46.4	178.4	-178.5	62	0	0	0	112.4	Y351 N370 I371 I372 A376 I377 L378	Y351-L374 HydrophobicContact CE1-CD1 4.03Å; Y351-L374 HydrophobicContact CE2-CB 4.05Å; N370-L374 WeakPolarHBondContact O-CB 3.44Å; N370-L374 PolarHBondContact O-N 3.3Å; I371-L374 PolarHBondContact O-N 3.34Å; I372-L374 VanDerWaalsContact C-N 3.27Å; I372-L374 PolarHBondContact O-N 3.38Å; L374-A376 PolarHBondContact O-N 2.81Å; L374-I377 HydrophobicContact CD1-CD1 4.45Å; L374-I377 VanDerWaalsContact O-CG1 3.24Å; L374-I377 WeakPolarHBondContact O-CG1 3.26Å; L374-I377 PolarHBondContact O-N 3.27Å; L374-L378 WeakPolarHBondContact O-CB 3.33Å; L374-L378 PolarHBondContact O-N 2.87Å; L374-L378 VanDerWaalsContact O-N 3.11Å
375	I	94.9	Very high	93	Very high	69 Å²	69	56.6 Å²	56.6	35%	0.354	28%	0.277	S	S	.	.	H	α-helix	trans	-64.5	-28.3	178.3	-68	172.1	0	0	0	110.8	I371 I372 I377 P379 L414	I371-I375 HydrophobicContact CG2-CD1 3.76Å; I371-I375 HydrophobicContact CG2-CG1 4.35Å; I371-I375 WeakPolarHBondContact O-CG1 3.41Å; I371-I375 PolarHBondContact O-N 3.35Å; I372-I375 PolarHBondContact O-N 2.9Å; I375-I377 PolarHBondContact O-N 3.34Å; I375-P379 WeakPolarHBondContact O-CD 3.38Å; I375-L414 HydrophobicContact CG2-CB 4.36Å; I375-L414 HydrophobicContact CG2-CD1 3.61Å
376	A	94.9	Very high	92.4	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-35	177	0	0	0	0	0	113.8	I372 D373 L374 R415	I372-A376 WeakPolarHBondContact O-CB 3.46Å; I372-A376 PolarHBondContact O-N 2.97Å; D373-A376 WeakPolarHBondContact O-CB 3.39Å; L374-A376 PolarHBondContact O-N 2.81Å; A376-R415 HydrophobicContact CB-CB 3.64Å
377	I	95.1	Very high	91.8	Very high	11 Å²	11	50.3 Å²	50.3	6%	0.056	25%	0.253	C	S	.	.	H	α-helix	trans	-93.5	-23.4	-179.8	62	172.6	0	0	0	113.3	F347 L374 I375 F380 Y381	F347-I377 HydrophobicContact CB-CG2 3.43Å; F347-I377 VanDerWaalsContact CB-CG2 3.43Å; F347-I377 HydrophobicContact CG-CG2 4.49Å; L374-I377 HydrophobicContact CD1-CD1 4.45Å; L374-I377 VanDerWaalsContact O-CG1 3.24Å; L374-I377 WeakPolarHBondContact O-CG1 3.26Å; L374-I377 PolarHBondContact O-N 3.27Å; I375-I377 PolarHBondContact O-N 3.34Å; I377-F380 PolarHBondContact O-N 3.41Å; I377-Y381 HydrophobicContact CB-CE2 4.27Å; I377-Y381 HydrophobicContact CD1-CE2 4.37Å; I377-Y381 WeakPolarHBondContact O-CD2 3.38Å
378	L	94	Very high	91.3	Very high	76 Å²	76	51.3 Å²	51.3	40%	0.398	26%	0.261	S	S	.	.	H	α-helix	trans	-56.1	-42.1	-174	-175.5	68.4	0	0	0	114.2	L374 F380 Y381 I382	L374-L378 WeakPolarHBondContact O-CB 3.33Å; L374-L378 PolarHBondContact O-N 2.87Å; L374-L378 VanDerWaalsContact O-N 3.11Å; L378-F380 PolarHBondContact O-N 3.44Å; L378-Y381 PolarHBondContact O-N 3.18Å; L378-I382 HydrophobicContact CD1-CD1 3.81Å; L378-I382 HydrophobicContact CD1-CG1 3.9Å; L378-I382 HydrophobicContact CD2-CD1 3.85Å; L378-I382 HydrophobicContact CG-CD1 3.49Å; L378-I382 VanDerWaalsContact CG-CD1 3.49Å; L378-I382 HydrophobicContact CG-CG1 3.96Å; L378-I382 WeakPolarHBondContact O-CG1 3.47Å; L378-I382 PolarHBondContact O-N 3.13Å
379	P	92.5	Very high	90.7	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.019	25%	0.251	C	S	.	.	H	α-helix	trans	-55	-33.7	178.7	-32.6	38	0	0	0	115.6	I375 H383 F408 L411 R412	I375-P379 WeakPolarHBondContact O-CD 3.38Å; P379-H383 VanDerWaalsContact O-CB 3.25Å; P379-H383 WeakPolarHBondContact O-CB 3.27Å; P379-H383 PolarHBondContact O-N 2.86Å; P379-F408 WeakPolarHBondContact CB-O 3.43Å; P379-L411 HydrophobicContact CG-CB 4.06Å; P379-R412 HydrophobicContact CB-CG 3.67Å; P379-R412 HydrophobicContact CG-CG 4.28Å
380	F	90.7	Very high	89.9	Confident	40 Å²	40	49.3 Å²	49.3	18%	0.175	26%	0.255	C	S	.	.	H	α-helix	trans	-70.6	-50.1	179.2	173.6	-99.1	0	0	0	111.4	I344 I377 L378 I382 H383 V384	I344-F380 HydrophobicContact CD1-CB 3.57Å; I344-F380 HydrophobicContact CD1-CD2 3.53Å; I344-F380 HydrophobicContact CD1-CE2 4.36Å; I344-F380 HydrophobicContact CD1-CG 3.67Å; I344-F380 HydrophobicContact CG1-CB 4.32Å; I344-F380 HydrophobicContact CG2-CB 3.94Å; I344-F380 HydrophobicContact CG2-CD1 3.77Å; I344-F380 HydrophobicContact CG2-CE1 4.41Å; I344-F380 HydrophobicContact CG2-CG 3.85Å; I377-F380 PolarHBondContact O-N 3.41Å; L378-F380 PolarHBondContact O-N 3.44Å; F380-I382 VanDerWaalsContact C-N 3.33Å; F380-I382 PolarHBondContact O-N 3.44Å; F380-H383 WeakPolarHBondContact O-CB 3.36Å; F380-H383 PolarHBondContact O-N 3.32Å; F380-H383 VanDerWaalsContact O-N 3.1Å; F380-V384 HydrophobicContact CE1-CG2 4.16Å; F380-V384 HydrophobicContact CE2-CG2 4.33Å; F380-V384 HydrophobicContact CZ-CG2 4.05Å; F380-V384 WeakPolarHBondContact O-CG2 3.47Å; F380-V384 PolarHBondContact O-N 3.39Å
381	Y	93.1	Very high	88.9	Confident	103 Å²	103	54.2 Å²	54.2	40%	0.404	29%	0.285	S	S	.	.	H	α-helix	trans	-66	-37.3	179.8	-67.3	-71.7	0	0	0	112.1	I344 T348 I377 L378 H383 V384 L385	I344-Y381 HydrophobicContact CG2-CE2 4.48Å; T348-Y381 WeakPolarHBondContact CB-OH 3.31Å; T348-Y381 HydrophobicContact CG2-CE2 4.43Å; T348-Y381 VanDerWaalsContact CG2-OH 3.24Å; T348-Y381 WeakPolarHBondContact CG2-OH 3.4Å; T348-Y381 WeakPolarHBondContact OG1-CE2 3.29Å; T348-Y381 PolarHBondContact OG1-OH 3.46Å; I377-Y381 HydrophobicContact CB-CE2 4.27Å; I377-Y381 HydrophobicContact CD1-CE2 4.37Å; I377-Y381 WeakPolarHBondContact O-CD2 3.38Å; L378-Y381 PolarHBondContact O-N 3.18Å; Y381-H383 VanDerWaalsContact C-N 3.33Å; Y381-V384 PolarHBondContact O-N 2.87Å; Y381-L385 VanDerWaalsContact O-CB 3.3Å; Y381-L385 WeakPolarHBondContact O-CB 3.41Å; Y381-L385 PolarHBondContact O-N 3.32Å
382	I	90.3	Very high	88	Confident	39 Å²	39	60 Å²	60	20%	0.2	30%	0.303	C	S	.	.	H	α-helix	trans	-63.8	-40.6	172.1	-68.4	-178.5	0	0	0	110.6	L378 F380 L385 L386 F408	L378-I382 HydrophobicContact CD1-CD1 3.81Å; L378-I382 HydrophobicContact CD1-CG1 3.9Å; L378-I382 HydrophobicContact CD2-CD1 3.85Å; L378-I382 HydrophobicContact CG-CD1 3.49Å; L378-I382 VanDerWaalsContact CG-CD1 3.49Å; L378-I382 HydrophobicContact CG-CG1 3.96Å; L378-I382 WeakPolarHBondContact O-CG1 3.47Å; L378-I382 PolarHBondContact O-N 3.13Å; F380-I382 VanDerWaalsContact C-N 3.33Å; F380-I382 PolarHBondContact O-N 3.44Å; I382-L385 PolarHBondContact O-N 3.05Å; I382-L386 WeakPolarHBondContact O-CB 3.3Å; I382-L386 PolarHBondContact O-N 3.03Å; I382-F408 HydrophobicContact CB-CD1 4.45Å; I382-F408 HydrophobicContact CD1-CD1 3.88Å; I382-F408 HydrophobicContact CD1-CE1 3.35Å; I382-F408 HydrophobicContact CD1-CZ 3.72Å; I382-F408 HydrophobicContact CG2-CD1 4.14Å; I382-F408 HydrophobicContact CG2-CD2 3.7Å; I382-F408 HydrophobicContact CG2-CE1 4.19Å; I382-F408 HydrophobicContact CG2-CE2 3.73Å; I382-F408 HydrophobicContact CG2-CG 3.93Å; I382-F408 HydrophobicContact CG2-CZ 3.99Å
383	H	86.9	Confident	86.7	Confident	53 Å²	53	63.4 Å²	63.4	25%	0.245	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-49.3	176.8	176.4	64.3	0	0	0	111.9	P379 F380 Y381 L385 L386 V387 V405	P379-H383 VanDerWaalsContact O-CB 3.25Å; P379-H383 WeakPolarHBondContact O-CB 3.27Å; P379-H383 PolarHBondContact O-N 2.86Å; F380-H383 WeakPolarHBondContact O-CB 3.36Å; F380-H383 PolarHBondContact O-N 3.32Å; F380-H383 VanDerWaalsContact O-N 3.1Å; Y381-H383 VanDerWaalsContact C-N 3.33Å; H383-L385 PolarHBondContact O-N 2.86Å; H383-L386 PolarHBondContact O-N 2.92Å; H383-V387 VanDerWaalsContact O-CG2 3.29Å; H383-V387 WeakPolarHBondContact O-CG2 3.29Å; H383-V387 PolarHBondContact O-N 2.66Å; H383-V405 WeakPolarHBondContact ND1-CG1 3.4Å
384	V	87.4	Confident	85.2	Confident	72 Å²	72	71.9 Å²	71.9	44%	0.436	36%	0.357	S	S	.	.	H	α-helix	trans	-59.6	-47.9	177.8	174	0	0	0	0	111.2	F380 Y381 L386 V387 E388	F380-V384 HydrophobicContact CE1-CG2 4.16Å; F380-V384 HydrophobicContact CE2-CG2 4.33Å; F380-V384 HydrophobicContact CZ-CG2 4.05Å; F380-V384 WeakPolarHBondContact O-CG2 3.47Å; F380-V384 PolarHBondContact O-N 3.39Å; Y381-V384 PolarHBondContact O-N 2.87Å; V384-L386 VanDerWaalsContact C-N 3.33Å; V384-L386 PolarHBondContact O-N 3.24Å; V384-V387 PolarHBondContact O-N 3.49Å; V384-E388 PolarHBondContact O-N 3.49Å
385	L	87.2	Confident	83.3	Confident	105 Å²	105	73.1 Å²	73.1	55%	0.55	36%	0.364	S	S	.	.	H	α-helix	trans	-60.4	-43	177.5	178.6	66.6	0	0	0	111.8	Y381 I382 H383 E388 V389	Y381-L385 VanDerWaalsContact O-CB 3.3Å; Y381-L385 WeakPolarHBondContact O-CB 3.41Å; Y381-L385 PolarHBondContact O-N 3.32Å; I382-L385 PolarHBondContact O-N 3.05Å; H383-L385 PolarHBondContact O-N 2.86Å; L385-E388 PolarHBondContact O-N 2.63Å; L385-V389 VanDerWaalsContact O-CG2 3.29Å; L385-V389 WeakPolarHBondContact O-CG2 3.19Å; L385-V389 PolarHBondContact O-N 3.15Å
386	L	83.4	Confident	81.6	Confident	23 Å²	23	79.1 Å²	79.1	12%	0.12	39%	0.39	C	S	.	.	H	α-helix	trans	-69.5	-38.1	-178.4	-175.8	53.3	0	0	0	111.7	I382 H383 V384 V389 V390 L401 I404 V405	I382-L386 WeakPolarHBondContact O-CB 3.3Å; I382-L386 PolarHBondContact O-N 3.03Å; H383-L386 PolarHBondContact O-N 2.92Å; V384-L386 VanDerWaalsContact C-N 3.33Å; V384-L386 PolarHBondContact O-N 3.24Å; L386-V389 PolarHBondContact O-N 3.21Å; L386-V390 HydrophobicContact CD1-CG2 4.38Å; L386-V390 WeakPolarHBondContact O-CB 3.43Å; L386-V390 WeakPolarHBondContact O-CG2 3.13Å; L386-V390 PolarHBondContact O-N 3.28Å; L386-L401 HydrophobicContact CD1-CB 4.38Å; L386-L401 HydrophobicContact CD1-CD2 3.97Å; L386-I404 HydrophobicContact CD2-CB 4.44Å; L386-I404 HydrophobicContact CD2-CG2 4.04Å; L386-V405 HydrophobicContact CD2-CB 4.31Å; L386-V405 HydrophobicContact CD2-CG2 3.29Å; L386-V405 HydrophobicContact CG-CG2 3.8Å
387	V	80	Confident	80.2	Confident	66 Å²	66	81.5 Å²	81.5	40%	0.4	41%	0.407	S	S	.	.	H	α-helix	trans	-61.1	-46.2	172.3	170.4	0	0	0	0	110.2	H383 V384 V389 V390 T391	H383-V387 VanDerWaalsContact O-CG2 3.29Å; H383-V387 WeakPolarHBondContact O-CG2 3.29Å; H383-V387 PolarHBondContact O-N 2.66Å; V384-V387 PolarHBondContact O-N 3.49Å; V387-V389 PolarHBondContact O-N 3.14Å; V387-V390 PolarHBondContact O-N 3.41Å; V387-T391 PolarHBondContact O-N 3.1Å; V387-T391 PolarHBondContact O-OG1 3.04Å
388	E	81.8	Confident	78.9	Confident	88 Å²	88	85.3 Å²	85.3	41%	0.411	43%	0.427	S	S	.	.	H	α-helix	trans	-61.1	-43.3	177.7	-173.7	179.2	-177.3	0	0	112.5	V384 L385 T391 R392	V384-E388 PolarHBondContact O-N 3.49Å; L385-E388 PolarHBondContact O-N 2.63Å; E388-T391 PolarHBondContact O-N 3.09Å; E388-R392 WeakPolarHBondContact O-CG 3.27Å; E388-R392 PolarHBondContact O-N 3.31Å; E388-R392 VanDerWaalsContact O-N 3.14Å; E388-R392 IonicContact OE1-CZ 3.47Å; E388-R392 IonicContact OE1-NE 2.72Å; E388-R392 IonicContact OE1-NH2 3.73Å; E388-R392 PolarHBondContact OE1-NH2 3.05Å
389	V	81.4	Confident	77.8	Confident	66 Å²	66	87.9 Å²	87.9	40%	0.4	44%	0.436	S	S	.	.	H	α-helix	trans	-63.2	-42.6	176.3	170.5	0	0	0	0	111.3	L385 L386 V387 R392 H393	L385-V389 VanDerWaalsContact O-CG2 3.29Å; L385-V389 WeakPolarHBondContact O-CG2 3.19Å; L385-V389 PolarHBondContact O-N 3.15Å; L386-V389 PolarHBondContact O-N 3.21Å; V387-V389 PolarHBondContact O-N 3.14Å; V389-R392 PolarHBondContact O-N 2.9Å; V389-H393 PolarHBondContact O-N 2.9Å; V389-H393 VanDerWaalsContact O-N 3.15Å
390	V	75.7	Confident	77	Confident	39 Å²	39	91.4 Å²	91.4	24%	0.236	46%	0.461	C	S	.	.	H	α-helix	trans	-61.9	-44.5	176.4	163.6	0	0	0	0	111.2	L386 V387 R392 H393 L398 L401	L386-V390 HydrophobicContact CD1-CG2 4.38Å; L386-V390 WeakPolarHBondContact O-CB 3.43Å; L386-V390 WeakPolarHBondContact O-CG2 3.13Å; L386-V390 PolarHBondContact O-N 3.28Å; V387-V390 PolarHBondContact O-N 3.41Å; V390-R392 VanDerWaalsContact C-N 3.27Å; V390-R392 PolarHBondContact O-N 3.35Å; V390-H393 CarbonylContact O-C 3.55Å; V390-H393 PolarHBondContact O-N 3.35Å; V390-H393 VanDerWaalsContact O-O 3.09Å; V390-L398 HydrophobicContact CG1-CD2 3.45Å; V390-L398 VanDerWaalsContact CG1-CD2 3.45Å; V390-L401 HydrophobicContact CG2-CB 4Å; V390-L401 HydrophobicContact CG2-CD1 3.58Å; V390-L401 HydrophobicContact CG2-CG 4.4Å
391	T	75.3	Confident	76.2	Confident	103 Å²	103	91.3 Å²	91.3	63%	0.632	46%	0.462	S	S	*	.	H	α-helix	trans	-63.6	-33.3	178.6	-54.5	0	0	0	0	112.1	V387 E388	V387-T391 PolarHBondContact O-N 3.1Å; V387-T391 PolarHBondContact O-OG1 3.04Å; E388-T391 PolarHBondContact O-N 3.09Å
392	R	75.9	Confident	75.3	Confident	184 Å²	184	92.8 Å²	92.8	69%	0.694	47%	0.467	S	S	*	.	H	α-helix	trans	-77.1	-28.8	178.8	-69.9	179.9	-175.3	-159.9	4.1	113.8	E388 V389 V390	E388-R392 WeakPolarHBondContact O-CG 3.27Å; E388-R392 PolarHBondContact O-N 3.31Å; E388-R392 VanDerWaalsContact O-N 3.14Å; E388-R392 IonicContact OE1-CZ 3.47Å; E388-R392 IonicContact OE1-NE 2.72Å; E388-R392 IonicContact OE1-NH2 3.73Å; E388-R392 PolarHBondContact OE1-NH2 3.05Å; V389-R392 PolarHBondContact O-N 2.9Å; V390-R392 VanDerWaalsContact C-N 3.27Å; V390-R392 PolarHBondContact O-N 3.35Å
393	H	69	Low	74.9	Confident	113 Å²	113	97 Å²	97	52%	0.523	48%	0.484	S	S	.	.			trans	-110	101.6	-179.5	-91.1	-72.1	0	0	0	111.3	V389 V390 N395	V389-H393 PolarHBondContact O-N 2.9Å; V389-H393 VanDerWaalsContact O-N 3.15Å; V390-H393 CarbonylContact O-C 3.55Å; V390-H393 PolarHBondContact O-N 3.35Å; V390-H393 VanDerWaalsContact O-O 3.09Å; H393-N395 PolarHBondContact O-N 3.22Å
394	H	63.9	Low	74.7	Confident	184 Å²	184	97.9 Å²	97.9	85%	0.852	49%	0.49	S	S	*	.			trans	-63.7	13.6	174.8	-84.3	-66.8	0	0	0	115.8
395	N	56.1	Low	74.4	Confident	98 Å²	98	95.7 Å²	95.7	52%	0.524	48%	0.476	S	S	.	.	S	Bend	trans	-91.4	148.6	-167.4	-65.6	-14.2	0	0	0	112.9	H393 S397 L398	H393-N395 PolarHBondContact O-N 3.22Å; N395-S397 PolarHBondContact O-N 3.33Å; N395-S397 PolarHBondContact O-OG 3.13Å; N395-L398 PolarHBondContact O-N 3Å
396	E	58.3	Low	74.1	Confident	195 Å²	195	96.1 Å²	96.1	91%	0.911	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-8.5	-178.2	-71.8	-151.8	149	0	0	117.8	L398	E396-L398 PolarHBondContact O-N 2.99Å
397	S	66	Low	74.3	Confident	51 Å²	51	99.9 Å²	99.9	36%	0.357	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-8.4	171.3	61.7	0	0	0	0	115.4	N395 H399 S400 L401	N395-S397 PolarHBondContact O-N 3.33Å; N395-S397 PolarHBondContact O-OG 3.13Å; S397-H399 PolarHBondContact O-N 3.01Å; S397-H399 VanDerWaalsContact O-N 3.12Å; S397-S400 PolarHBondContact O-N 3.11Å; S397-S400 VanDerWaalsContact O-N 3.09Å; S397-L401 VanDerWaalsContact O-CG 3.29Å; S397-L401 WeakPolarHBondContact O-CG 3.43Å; S397-L401 PolarHBondContact O-N 3.47Å; S397-L401 WeakPolarHBondContact OG-CD1 3.31Å
398	L	68.6	Low	74.7	Confident	91 Å²	91	99.1 Å²	99.1	48%	0.476	49%	0.486	S	S	.	.	H	α-helix	trans	-49.1	-42.1	-177.6	-63.8	-177.5	0	0	0	113.2	V390 N395 E396 L401 R402	V390-L398 HydrophobicContact CG1-CD2 3.45Å; V390-L398 VanDerWaalsContact CG1-CD2 3.45Å; N395-L398 PolarHBondContact O-N 3Å; E396-L398 PolarHBondContact O-N 2.99Å; L398-L401 PolarHBondContact O-N 3.19Å; L398-R402 VanDerWaalsContact O-CB 3.3Å; L398-R402 WeakPolarHBondContact O-CB 3.37Å; L398-R402 PolarHBondContact O-N 2.9Å
399	H	70.9	Confident	74.8	Confident	129 Å²	129	99 Å²	99	60%	0.597	48%	0.482	S	S	*	.	H	α-helix	trans	-71.5	-36.6	-176.3	-154.1	-44.6	0	0	0	112.8	S397 K403	S397-H399 PolarHBondContact O-N 3.01Å; S397-H399 VanDerWaalsContact O-N 3.12Å; H399-K403 WeakPolarHBondContact O-CG 3.37Å; H399-K403 PolarHBondContact O-N 3.34Å
400	S	74.8	Confident	75.1	Confident	78 Å²	78	101.4 Å²	101.4	55%	0.545	49%	0.491	S	S	.	.	H	α-helix	trans	-71.8	-41.6	175.2	-65.4	0	0	0	0	111.1	S397 R402 K403 I404	S397-S400 PolarHBondContact O-N 3.11Å; S397-S400 VanDerWaalsContact O-N 3.09Å; S400-R402 VanDerWaalsContact C-N 3.35Å; S400-R402 PolarHBondContact O-N 3.17Å; S400-K403 PolarHBondContact O-N 3.2Å; S400-I404 WeakPolarHBondContact O-CG1 3.28Å; S400-I404 PolarHBondContact O-N 3.17Å; S400-I404 VanDerWaalsContact O-N 3.11Å
401	L	74.3	Confident	75.8	Confident	37 Å²	37	102.5 Å²	102.5	19%	0.194	50%	0.496	C	S	.	.	H	α-helix	trans	-64.6	-38.8	176.8	-61.9	173.5	0	0	0	111.4	L386 V390 S397 L398 K403 I404 V405	L386-L401 HydrophobicContact CD1-CB 4.38Å; L386-L401 HydrophobicContact CD1-CD2 3.97Å; V390-L401 HydrophobicContact CG2-CB 4Å; V390-L401 HydrophobicContact CG2-CD1 3.58Å; V390-L401 HydrophobicContact CG2-CG 4.4Å; S397-L401 VanDerWaalsContact O-CG 3.29Å; S397-L401 WeakPolarHBondContact O-CG 3.43Å; S397-L401 PolarHBondContact O-N 3.47Å; S397-L401 WeakPolarHBondContact OG-CD1 3.31Å; L398-L401 PolarHBondContact O-N 3.19Å; L401-K403 PolarHBondContact O-N 3.24Å; L401-I404 HydrophobicContact CD2-CD1 4.42Å; L401-I404 WeakPolarHBondContact O-CB 3.44Å; L401-I404 PolarHBondContact O-N 3.28Å; L401-I404 VanDerWaalsContact O-N 3.16Å; L401-V405 WeakPolarHBondContact O-CG2 3.28Å; L401-V405 PolarHBondContact O-N 3.11Å
402	R	74.9	Confident	76.6	Confident	134 Å²	134	98.4 Å²	98.4	51%	0.506	47%	0.469	S	S	.	.	H	α-helix	trans	-60	-44.1	173.1	-177.2	-178.5	-179.4	149.4	11.6	112.7	E329 L398 S400 I404 V405 Q406	E329-R402 IonicContact OE1-CZ 2.63Å; E329-R402 IonicContact OE1-NH1 3.05Å; E329-R402 PolarHBondContact OE1-NH1 3.08Å; E329-R402 IonicContact OE1-NH2 3.15Å; E329-R402 PolarHBondContact OE1-NH2 2.92Å; L398-R402 VanDerWaalsContact O-CB 3.3Å; L398-R402 WeakPolarHBondContact O-CB 3.37Å; L398-R402 PolarHBondContact O-N 2.9Å; S400-R402 VanDerWaalsContact C-N 3.35Å; S400-R402 PolarHBondContact O-N 3.17Å; R402-I404 VanDerWaalsContact C-N 3.27Å; R402-I404 PolarHBondContact O-N 3.37Å; R402-V405 WeakPolarHBondContact O-CB 3.38Å; R402-V405 PolarHBondContact O-N 2.68Å; R402-Q406 PolarHBondContact O-N 2.94Å
403	K	81.9	Confident	77.4	Confident	129 Å²	129	93.9 Å²	93.9	56%	0.561	46%	0.458	S	S	*	.	H	α-helix	trans	-59.9	-40.8	175.2	-71.7	179.7	-177.5	179.9	0	110.9	H399 S400 L401 Q406 I407	H399-K403 WeakPolarHBondContact O-CG 3.37Å; H399-K403 PolarHBondContact O-N 3.34Å; S400-K403 PolarHBondContact O-N 3.2Å; L401-K403 PolarHBondContact O-N 3.24Å; K403-Q406 PolarHBondContact O-N 3.01Å; K403-I407 WeakPolarHBondContact O-CG1 3.48Å; K403-I407 PolarHBondContact O-N 2.88Å
404	I	82.4	Confident	78.6	Confident	71 Å²	71	91 Å²	91	36%	0.364	45%	0.446	S	S	.	.	H	α-helix	trans	-63.5	-46.3	175.7	-64.7	165.6	0	0	0	110.9	L386 S400 L401 R402 Q406 I407 F408	L386-I404 HydrophobicContact CD2-CB 4.44Å; L386-I404 HydrophobicContact CD2-CG2 4.04Å; S400-I404 WeakPolarHBondContact O-CG1 3.28Å; S400-I404 PolarHBondContact O-N 3.17Å; S400-I404 VanDerWaalsContact O-N 3.11Å; L401-I404 HydrophobicContact CD2-CD1 4.42Å; L401-I404 WeakPolarHBondContact O-CB 3.44Å; L401-I404 PolarHBondContact O-N 3.28Å; L401-I404 VanDerWaalsContact O-N 3.16Å; R402-I404 VanDerWaalsContact C-N 3.27Å; R402-I404 PolarHBondContact O-N 3.37Å; I404-Q406 PolarHBondContact O-N 3.42Å; I404-I407 PolarHBondContact O-N 3.44Å; I404-F408 HydrophobicContact CG2-CD2 3.84Å; I404-F408 HydrophobicContact CG2-CE2 3.61Å; I404-F408 VanDerWaalsContact O-CD2 3.24Å; I404-F408 WeakPolarHBondContact O-CD2 3.45Å; I404-F408 PolarHBondContact O-N 3.01Å; I404-F408 VanDerWaalsContact O-N 3.1Å
405	V	79.6	Confident	80	Confident	25 Å²	25	82.4 Å²	82.4	15%	0.152	41%	0.406	C	S	.	.	H	α-helix	trans	-53.4	-44.4	172.9	173.8	0	0	0	0	110.8	H383 L386 L401 R402 F408 R409	H383-V405 WeakPolarHBondContact ND1-CG1 3.4Å; L386-V405 HydrophobicContact CD2-CB 4.31Å; L386-V405 HydrophobicContact CD2-CG2 3.29Å; L386-V405 HydrophobicContact CG-CG2 3.8Å; L401-V405 WeakPolarHBondContact O-CG2 3.28Å; L401-V405 PolarHBondContact O-N 3.11Å; R402-V405 WeakPolarHBondContact O-CB 3.38Å; R402-V405 PolarHBondContact O-N 2.68Å; V405-F408 PolarHBondContact O-N 3.24Å; V405-R409 PolarHBondContact O-N 3.19Å
406	Q	82.9	Confident	81.9	Confident	114 Å²	114	80.7 Å²	80.7	53%	0.533	40%	0.396	S	S	.	.	H	α-helix	trans	-67.4	-36.3	-178.3	-167.6	168.6	11.9	0	0	112.6	R402 K403 I404 R409 I410	R402-Q406 PolarHBondContact O-N 2.94Å; K403-Q406 PolarHBondContact O-N 3.01Å; I404-Q406 PolarHBondContact O-N 3.42Å; Q406-R409 WeakPolarHBondContact O-CB 3.45Å; Q406-R409 PolarHBondContact O-N 3.42Å; Q406-I410 WeakPolarHBondContact O-CG1 3.35Å; Q406-I410 PolarHBondContact O-N 3.3Å; Q406-I410 VanDerWaalsContact O-N 3.1Å
407	I	87.3	Confident	83.7	Confident	103 Å²	103	77 Å²	77	53%	0.528	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-48.3	172.1	-66.3	164.9	0	0	0	110.1	K403 I404 R409 I410 L411	K403-I407 WeakPolarHBondContact O-CG1 3.48Å; K403-I407 PolarHBondContact O-N 2.88Å; I404-I407 PolarHBondContact O-N 3.44Å; I407-R409 VanDerWaalsContact C-N 3.28Å; I407-R409 PolarHBondContact O-N 3.08Å; I407-I410 PolarHBondContact O-N 2.85Å; I407-I410 VanDerWaalsContact O-N 3.14Å; I407-L411 WeakPolarHBondContact O-CG 3.46Å; I407-L411 PolarHBondContact O-N 2.79Å; I407-L411 VanDerWaalsContact O-N 3.07Å
408	F	87.1	Confident	85	Confident	50 Å²	50	74.8 Å²	74.8	22%	0.219	36%	0.361	C	S	.	.	H	α-helix	trans	-63.7	-33.8	176.5	-75.4	-72	0	0	0	112.5	P379 I382 I404 V405 I410 L411 R412	P379-F408 WeakPolarHBondContact CB-O 3.43Å; I382-F408 HydrophobicContact CB-CD1 4.45Å; I382-F408 HydrophobicContact CD1-CD1 3.88Å; I382-F408 HydrophobicContact CD1-CE1 3.35Å; I382-F408 HydrophobicContact CD1-CZ 3.72Å; I382-F408 HydrophobicContact CG2-CD1 4.14Å; I382-F408 HydrophobicContact CG2-CD2 3.7Å; I382-F408 HydrophobicContact CG2-CE1 4.19Å; I382-F408 HydrophobicContact CG2-CE2 3.73Å; I382-F408 HydrophobicContact CG2-CG 3.93Å; I382-F408 HydrophobicContact CG2-CZ 3.99Å; I404-F408 HydrophobicContact CG2-CD2 3.84Å; I404-F408 HydrophobicContact CG2-CE2 3.61Å; I404-F408 VanDerWaalsContact O-CD2 3.24Å; I404-F408 WeakPolarHBondContact O-CD2 3.45Å; I404-F408 PolarHBondContact O-N 3.01Å; I404-F408 VanDerWaalsContact O-N 3.1Å; V405-F408 PolarHBondContact O-N 3.24Å; F408-I410 VanDerWaalsContact C-N 3.31Å; F408-I410 PolarHBondContact O-N 2.83Å; F408-L411 HydrophobicContact CD1-CD1 3.7Å; F408-L411 HydrophobicContact CE1-CD1 4Å; F408-L411 HydrophobicContact CG-CD1 4.49Å; F408-L411 WeakPolarHBondContact O-CB 3.43Å; F408-L411 PolarHBondContact O-N 3.01Å; F408-R412 PolarHBondContact O-N 3.45Å
409	R	83.9	Confident	86.2	Confident	85 Å²	85	72.7 Å²	72.7	32%	0.321	35%	0.35	S	S	.	.	H	α-helix	trans	-58.2	-43	172.5	-171.7	-173.2	-70.2	-139.8	-13.8	111.4	D332 V405 Q406 I407 R412	D332-R409 IonicContact OD1-CZ 3.86Å; D332-R409 IonicContact OD1-NH1 2.75Å; D332-R409 PolarHBondContact OD1-NH1 3.38Å; D332-R409 IonicContact OD1-NH2 2.8Å; D332-R409 IonicContact OD2-CZ 3.22Å; D332-R409 IonicContact OD2-NH1 2.73Å; D332-R409 PolarHBondContact OD2-NH1 3.46Å; D332-R409 VanDerWaalsContact OD2-NH1 3.09Å; D332-R409 IonicContact OD2-NH2 3.5Å; D332-R409 PolarHBondContact OD2-NH2 2.91Å; V405-R409 PolarHBondContact O-N 3.19Å; Q406-R409 WeakPolarHBondContact O-CB 3.45Å; Q406-R409 PolarHBondContact O-N 3.42Å; I407-R409 VanDerWaalsContact C-N 3.28Å; I407-R409 PolarHBondContact O-N 3.08Å; R409-R412 WeakPolarHBondContact O-CB 3.38Å; R409-R412 VanDerWaalsContact O-CG 3.26Å; R409-R412 WeakPolarHBondContact O-CG 3.43Å; R409-R412 PolarHBondContact O-N 3.5Å
410	I	87.6	Confident	87.3	Confident	116 Å²	116	67 Å²	67	60%	0.595	33%	0.325	S	S	*	.	H	α-helix	trans	-67.7	-39	176.7	-63.2	166.6	0	0	0	111.1	Q406 I407 F408 R412 I413	Q406-I410 WeakPolarHBondContact O-CG1 3.35Å; Q406-I410 PolarHBondContact O-N 3.3Å; Q406-I410 VanDerWaalsContact O-N 3.1Å; I407-I410 PolarHBondContact O-N 2.85Å; I407-I410 VanDerWaalsContact O-N 3.14Å; F408-I410 VanDerWaalsContact C-N 3.31Å; F408-I410 PolarHBondContact O-N 2.83Å; I410-R412 PolarHBondContact O-N 2.93Å; I410-I413 PolarHBondContact O-N 3.41Å
411	L	90.7	Very high	88.1	Confident	62 Å²	62	64.4 Å²	64.4	33%	0.325	30%	0.304	S	S	.	.	H	α-helix	trans	-59	-16.9	176	-66.4	174.8	0	0	0	113.3	P379 I407 F408 I413 L414	P379-L411 HydrophobicContact CG-CB 4.06Å; I407-L411 WeakPolarHBondContact O-CG 3.46Å; I407-L411 PolarHBondContact O-N 2.79Å; I407-L411 VanDerWaalsContact O-N 3.07Å; F408-L411 HydrophobicContact CD1-CD1 3.7Å; F408-L411 HydrophobicContact CE1-CD1 4Å; F408-L411 HydrophobicContact CG-CD1 4.49Å; F408-L411 WeakPolarHBondContact O-CB 3.43Å; F408-L411 PolarHBondContact O-N 3.01Å; L411-I413 PolarHBondContact O-N 3.36Å; L411-L414 HydrophobicContact CB-CD1 4.28Å; L411-L414 HydrophobicContact CD2-CD1 3.68Å; L411-L414 HydrophobicContact CD2-CG 4.39Å; L411-L414 WeakPolarHBondContact O-CB 3.1Å; L411-L414 VanDerWaalsContact O-CG 3.29Å; L411-L414 WeakPolarHBondContact O-CG 3.45Å; L411-L414 PolarHBondContact O-N 3.38Å
412	R	92.2	Very high	89	Confident	17 Å²	17	65.3 Å²	65.3	6%	0.064	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-57.4	-27.3	173	-63.7	179.3	-177.1	-167.2	4	112.7	L284 E340 P379 F408 R409 I410 L414 R415	L284-R412 HydrophobicContact CD2-CB 4.12Å; E340-R412 IonicContact OE1-NH1 2.88Å; P379-R412 HydrophobicContact CB-CG 3.67Å; P379-R412 HydrophobicContact CG-CG 4.28Å; F408-R412 PolarHBondContact O-N 3.45Å; R409-R412 WeakPolarHBondContact O-CB 3.38Å; R409-R412 VanDerWaalsContact O-CG 3.26Å; R409-R412 WeakPolarHBondContact O-CG 3.43Å; R409-R412 PolarHBondContact O-N 3.5Å; I410-R412 PolarHBondContact O-N 2.93Å; R412-L414 PolarHBondContact O-N 3.09Å; R412-R415 WeakPolarHBondContact O-CG 3.42Å; R412-R415 PolarHBondContact O-N 3.38Å; R412-R415 PolarHBondContact O-NE 3.34Å
413	I	92.8	Very high	89.7	Confident	90 Å²	90	61 Å²	61	46%	0.462	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-60.3	-27.2	174.2	-109.6	155.2	0	0	0	112.2	L284 I410 L411 R415 I416	L284-I413 HydrophobicContact CD2-CB 4.28Å; L284-I413 HydrophobicContact CD2-CD1 4.29Å; L284-I413 HydrophobicContact CD2-CG1 3.7Å; I410-I413 PolarHBondContact O-N 3.41Å; L411-I413 PolarHBondContact O-N 3.36Å; I413-R415 PolarHBondContact O-N 2.89Å; I413-I416 HydrophobicContact CG1-CD1 4.2Å; I413-I416 WeakPolarHBondContact O-CB 2.96Å; I413-I416 WeakPolarHBondContact O-CD1 3.26Å; I413-I416 VanDerWaalsContact O-CG1 3.28Å; I413-I416 WeakPolarHBondContact O-CG1 3.44Å; I413-I416 PolarHBondContact O-N 3.43Å
414	L	93.5	Very high	90	Very high	52 Å²	52	58.2 Å²	58.2	27%	0.272	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-61.1	-19.6	-178.4	-63.1	-179.3	0	0	0	113	I375 L411 R412 I416 F417	I375-L414 HydrophobicContact CG2-CB 4.36Å; I375-L414 HydrophobicContact CG2-CD1 3.61Å; L411-L414 HydrophobicContact CB-CD1 4.28Å; L411-L414 HydrophobicContact CD2-CD1 3.68Å; L411-L414 HydrophobicContact CD2-CG 4.39Å; L411-L414 WeakPolarHBondContact O-CB 3.1Å; L411-L414 VanDerWaalsContact O-CG 3.29Å; L411-L414 WeakPolarHBondContact O-CG 3.45Å; L411-L414 PolarHBondContact O-N 3.38Å; R412-L414 PolarHBondContact O-N 3.09Å; L414-I416 PolarHBondContact O-N 2.84Å; L414-F417 HydrophobicContact CB-CD2 4.34Å; L414-F417 HydrophobicContact CD2-CD2 3.93Å; L414-F417 HydrophobicContact CD2-CE2 3.61Å; L414-F417 WeakPolarHBondContact O-CB 3.39Å; L414-F417 WeakPolarHBondContact O-CD2 3.49Å; L414-F417 PolarHBondContact O-N 3.49Å
415	R	95.1	Very high	90.3	Very high	3 Å²	3	55.9 Å²	55.9	1%	0.011	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-61.3	-21.6	174.4	75.4	-173.7	55.4	-176.2	3.7	113.6	S280 E340 A376 R412 I413 F417 K418	S280-R415 WeakPolarHBondContact OG-CD 3.33Å; E340-R415 IonicContact OE1-CZ 3.17Å; E340-R415 IonicContact OE1-NH1 3.99Å; E340-R415 PolarHBondContact OE1-NH1 3.11Å; E340-R415 IonicContact OE1-NH2 3.85Å; E340-R415 PolarHBondContact OE1-NH2 3.23Å; E340-R415 IonicContact OE2-CZ 3.56Å; E340-R415 IonicContact OE2-NH1 3.62Å; E340-R415 PolarHBondContact OE2-NH1 2.82Å; E340-R415 IonicContact OE2-NH2 3.56Å; A376-R415 HydrophobicContact CB-CB 3.64Å; R412-R415 WeakPolarHBondContact O-CG 3.42Å; R412-R415 PolarHBondContact O-N 3.38Å; R412-R415 PolarHBondContact O-NE 3.34Å; I413-R415 PolarHBondContact O-N 2.89Å; R415-F417 PolarHBondContact O-N 3.4Å; R415-K418 WeakPolarHBondContact O-CB 3.34Å; R415-K418 PolarHBondContact O-N 2.96Å
416	I	95.4	Very high	90.8	Very high	63 Å²	63	58.1 Å²	58.1	32%	0.323	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-58.1	-34.1	173.1	-62.7	166.9	0	0	0	110.1	T281 I413 L414 K418 L419	T281-I416 HydrophobicContact CG2-CD1 3.71Å; T281-I416 HydrophobicContact CG2-CG1 3.92Å; T281-I416 WeakPolarHBondContact OG1-CG1 3.39Å; I413-I416 HydrophobicContact CG1-CD1 4.2Å; I413-I416 WeakPolarHBondContact O-CB 2.96Å; I413-I416 WeakPolarHBondContact O-CD1 3.26Å; I413-I416 VanDerWaalsContact O-CG1 3.28Å; I413-I416 WeakPolarHBondContact O-CG1 3.44Å; I413-I416 PolarHBondContact O-N 3.43Å; L414-I416 PolarHBondContact O-N 2.84Å; I416-K418 PolarHBondContact O-N 3.32Å; I416-K418 VanDerWaalsContact O-N 3.11Å; I416-L419 HydrophobicContact CG2-CD1 4.08Å; I416-L419 VanDerWaalsContact O-CB 3.24Å; I416-L419 WeakPolarHBondContact O-CB 3.07Å; I416-L419 VanDerWaalsContact O-CG 3.28Å; I416-L419 WeakPolarHBondContact O-CG 3.21Å; I416-L419 PolarHBondContact O-N 2.95Å
417	F	95.1	Very high	91.2	Very high	118 Å²	118	55.6 Å²	55.6	52%	0.518	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-64.4	-16.1	177	-66.1	-57.1	0	0	0	113.6	I372 L414 R415 L419 A420	I372-F417 HydrophobicContact CG2-CB 3.73Å; L414-F417 HydrophobicContact CB-CD2 4.34Å; L414-F417 HydrophobicContact CD2-CD2 3.93Å; L414-F417 HydrophobicContact CD2-CE2 3.61Å; L414-F417 WeakPolarHBondContact O-CB 3.39Å; L414-F417 WeakPolarHBondContact O-CD2 3.49Å; L414-F417 PolarHBondContact O-N 3.49Å; R415-F417 PolarHBondContact O-N 3.4Å; F417-L419 PolarHBondContact O-N 2.95Å; F417-A420 WeakPolarHBondContact O-CB 3.45Å; F417-A420 PolarHBondContact O-N 3.28Å
418	K	94.2	Very high	91.4	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.017	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-58.7	-25.4	170.6	-171.1	172.3	174.1	-168	0	112.2	I277 F347 E350 D373 R415 I416 A420 R421	I277-K418 HydrophobicContact CD1-CB 3.81Å; I277-K418 HydrophobicContact CD1-CD 3.9Å; I277-K418 HydrophobicContact CD1-CG 3.69Å; I277-K418 HydrophobicContact CG1-CB 4.29Å; I277-K418 HydrophobicContact CG1-CD 4.07Å; I277-K418 HydrophobicContact CG1-CG 4.33Å; F347-K418 HydrophobicContact CD1-CD 4.44Å; E350-K418 WeakPolarHBondContact OE1-CE 3.46Å; E350-K418 IonicContact OE1-NZ 3Å; E350-K418 PolarHBondContact OE1-NZ 3.49Å; E350-K418 IonicContact OE2-NZ 2.62Å; E350-K418 PolarHBondContact OE2-NZ 3.31Å; D373-K418 WeakPolarHBondContact OD1-CG 3.44Å; R415-K418 WeakPolarHBondContact O-CB 3.34Å; R415-K418 PolarHBondContact O-N 2.96Å; I416-K418 PolarHBondContact O-N 3.32Å; I416-K418 VanDerWaalsContact O-N 3.11Å; K418-A420 PolarHBondContact O-N 3.18Å; K418-A420 VanDerWaalsContact O-N 3.11Å; K418-R421 WeakPolarHBondContact O-CB 3.26Å; K418-R421 PolarHBondContact O-N 3.45Å; K418-R421 VanDerWaalsContact O-N 3.11Å
419	L	94.5	Very high	91.5	Very high	46 Å²	46	52.1 Å²	52.1	24%	0.241	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-57	-23.8	170.7	-67.2	172.7	0	0	0	112.9	I274 I277 I416 F417 R421 H422 S423	I274-L419 HydrophobicContact CG2-CD2 4.15Å; I277-L419 HydrophobicContact CB-CD2 4.34Å; I277-L419 HydrophobicContact CD1-CD2 4Å; I277-L419 HydrophobicContact CD1-CG 4.42Å; I277-L419 HydrophobicContact CG2-CD1 4.44Å; I277-L419 HydrophobicContact CG2-CD2 4.04Å; I277-L419 HydrophobicContact CG2-CG 3.93Å; I416-L419 HydrophobicContact CG2-CD1 4.08Å; I416-L419 VanDerWaalsContact O-CB 3.24Å; I416-L419 WeakPolarHBondContact O-CB 3.07Å; I416-L419 VanDerWaalsContact O-CG 3.28Å; I416-L419 WeakPolarHBondContact O-CG 3.21Å; I416-L419 PolarHBondContact O-N 2.95Å; F417-L419 PolarHBondContact O-N 2.95Å; L419-R421 PolarHBondContact O-N 2.73Å; L419-H422 CarbonylContact O-C 3.48Å; L419-H422 WeakPolarHBondContact O-CA 3.41Å; L419-H422 PolarHBondContact O-N 3.47Å; L419-S423 PolarHBondContact O-N 2.94Å; L419-S423 VanDerWaalsContact O-N 3.08Å
420	A	93.6	Very high	91.9	Very high	10 Å²	10	50.1 Å²	50.1	8%	0.083	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-55.4	-35.3	175.7	0	0	0	0	0	112.1	L369 F417 K418 H422 S423 L426 Q427	L369-A420 HydrophobicContact CD2-CB 4.17Å; F417-A420 WeakPolarHBondContact O-CB 3.45Å; F417-A420 PolarHBondContact O-N 3.28Å; K418-A420 PolarHBondContact O-N 3.18Å; K418-A420 VanDerWaalsContact O-N 3.11Å; A420-H422 PolarHBondContact O-N 3.11Å; A420-S423 PolarHBondContact O-N 2.82Å; A420-L426 HydrophobicContact CB-CB 4.15Å; A420-L426 HydrophobicContact CB-CD2 3.99Å; A420-Q427 VanDerWaalsContact O-CG 3.26Å; A420-Q427 WeakPolarHBondContact O-CG 3.27Å; A420-Q427 PolarHBondContact O-NE2 3.02Å
421	R	92	Very high	92	Very high	24 Å²	24	48.3 Å²	48.3	9%	0.091	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-60	-31.9	175.9	178.6	175.1	-62.4	-74	9	112.8	E258 N370 D373 K418 L419 Q427	E258-R421 IonicContact OE1-CZ 4Å; E258-R421 IonicContact OE1-NH1 3.44Å; E258-R421 PolarHBondContact OE1-NH1 3.36Å; E258-R421 IonicContact OE2-CZ 2.79Å; E258-R421 IonicContact OE2-NH1 3.09Å; E258-R421 PolarHBondContact OE2-NH1 3.38Å; E258-R421 IonicContact OE2-NH2 3.9Å; N370-R421 PolarHBondContact OD1-NH2 2.85Å; D373-R421 IonicContact OD1-NE 3.23Å; D373-R421 IonicContact OD2-CZ 2.71Å; D373-R421 IonicContact OD2-NE 2.95Å; D373-R421 PolarHBondContact OD2-NE 3.11Å; D373-R421 IonicContact OD2-NH2 3.48Å; D373-R421 PolarHBondContact OD2-NH2 2.79Å; K418-R421 WeakPolarHBondContact O-CB 3.26Å; K418-R421 PolarHBondContact O-N 3.45Å; K418-R421 VanDerWaalsContact O-N 3.11Å; L419-R421 PolarHBondContact O-N 2.73Å; R421-Q427 PolarHBondContact O-NE2 3.33Å
422	H	91.5	Very high	92	Very high	55 Å²	55	45.5 Å²	45.5	26%	0.255	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-99.5	1.2	-177.9	-57.6	-65.7	0	0	0	113.2	I274 L419 A420	I274-H422 HydrophobicContact CD1-CB 3.81Å; I274-H422 HydrophobicContact CG1-CB 4.08Å; L419-H422 CarbonylContact O-C 3.48Å; L419-H422 WeakPolarHBondContact O-CA 3.41Å; L419-H422 PolarHBondContact O-N 3.47Å; A420-H422 PolarHBondContact O-N 3.11Å
423	S	90.7	Very high	92.1	Very high	43 Å²	43	50.1 Å²	50.1	30%	0.301	27%	0.267	S	S	.	.			trans	-126.8	108.8	-178.4	176.9	0	0	0	0	110.8	L419 A420 G425 L426 Q427	L419-S423 PolarHBondContact O-N 2.94Å; L419-S423 VanDerWaalsContact O-N 3.08Å; A420-S423 PolarHBondContact O-N 2.82Å; S423-G425 PolarHBondContact O-N 3.16Å; S423-L426 PolarHBondContact O-N 3.33Å; S423-L426 PolarHBondContact OG-N 3.46Å; S423-Q427 WeakPolarHBondContact O-CG 3.12Å; S423-Q427 PolarHBondContact O-N 3.39Å; S423-Q427 VanDerWaalsContact O-N 3.13Å
424	T	87.3	Confident	92	Very high	71 Å²	71	53.8 Å²	53.8	44%	0.436	28%	0.279	S	S	.	.	H	α-helix	trans	-61.8	-34.2	172.9	52.9	0	0	0	0	111.4	Q427 A428	T424-Q427 PolarHBondContact O-N 3.18Å; T424-A428 WeakPolarHBondContact O-CB 3.27Å; T424-A428 PolarHBondContact O-N 2.92Å
425	G	88.9	Confident	91.9	Very high	23 Å²	23	56.4 Å²	56.4	24%	0.237	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-41.7	175.1	0	0	0	0	0	113.2	S423 A428 L429	S423-G425 PolarHBondContact O-N 3.16Å; G425-A428 WeakPolarHBondContact O-CB 3.32Å; G425-A428 PolarHBondContact O-N 3.25Å; G425-L429 PolarHBondContact O-N 3.01Å; G425-L429 VanDerWaalsContact O-N 3.14Å
426	L	90.6	Very high	91.8	Very high	72 Å²	72	56.2 Å²	56.2	38%	0.377	29%	0.285	S	S	.	.	H	α-helix	trans	-70	-35.4	176.9	-126.3	65.4	0	0	0	111.9	A420 S423 A428 L429 G430	A420-L426 HydrophobicContact CB-CB 4.15Å; A420-L426 HydrophobicContact CB-CD2 3.99Å; S423-L426 PolarHBondContact O-N 3.33Å; S423-L426 PolarHBondContact OG-N 3.46Å; L426-A428 VanDerWaalsContact C-N 3.33Å; L426-L429 HydrophobicContact CD1-CD1 4.16Å; L426-L429 PolarHBondContact O-N 3.27Å; L426-G430 PolarHBondContact O-N 3.31Å
427	Q	90.8	Very high	91.8	Very high	60 Å²	60	60.3 Å²	60.3	28%	0.28	30%	0.297	S	S	.	.	H	α-helix	trans	-65.8	-37.6	172	-66.4	174.9	27.3	0	0	111.7	A420 R421 S423 T424 L429 G430 Y431 F528	A420-Q427 VanDerWaalsContact O-CG 3.26Å; A420-Q427 WeakPolarHBondContact O-CG 3.27Å; A420-Q427 PolarHBondContact O-NE2 3.02Å; R421-Q427 PolarHBondContact O-NE2 3.33Å; S423-Q427 WeakPolarHBondContact O-CG 3.12Å; S423-Q427 PolarHBondContact O-N 3.39Å; S423-Q427 VanDerWaalsContact O-N 3.13Å; T424-Q427 PolarHBondContact O-N 3.18Å; Q427-L429 VanDerWaalsContact C-N 3.3Å; Q427-L429 PolarHBondContact O-N 2.98Å; Q427-G430 PolarHBondContact O-N 3.41Å; Q427-Y431 PolarHBondContact O-N 3.28Å; Q427-F528 HydrophobicContact CB-CZ 4.29Å
428	A	91	Very high	91.8	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.1	-42	175.1	0	0	0	0	0	111.3	T424 G425 L426 Y431 T432 F525 F528 Y529	T424-A428 WeakPolarHBondContact O-CB 3.27Å; T424-A428 PolarHBondContact O-N 2.92Å; G425-A428 WeakPolarHBondContact O-CB 3.32Å; G425-A428 PolarHBondContact O-N 3.25Å; L426-A428 VanDerWaalsContact C-N 3.33Å; A428-Y431 PolarHBondContact O-N 3.18Å; A428-T432 VanDerWaalsContact O-CB 3.26Å; A428-T432 WeakPolarHBondContact O-CB 3.41Å; A428-T432 PolarHBondContact O-N 2.97Å; A428-T432 PolarHBondContact O-OG1 3.31Å; A428-F525 HydrophobicContact CB-CD2 3.98Å; A428-F525 HydrophobicContact CB-CE2 3.44Å; A428-F525 VanDerWaalsContact CB-CE2 3.44Å; A428-F525 HydrophobicContact CB-CZ 4.09Å; A428-F528 VanDerWaalsContact CA-CE1 3.46Å; A428-F528 HydrophobicContact CB-CD1 3.3Å; A428-F528 HydrophobicContact CB-CE1 3.39Å; A428-F528 HydrophobicContact CB-CG 4.15Å; A428-F528 HydrophobicContact CB-CZ 4.28Å; A428-Y529 HydrophobicContact CB-CE2 3.87Å
429	L	90.9	Very high	91.7	Very high	80 Å²	80	64.1 Å²	64.1	42%	0.419	31%	0.314	S	S	.	.	H	α-helix	trans	-59.9	-49.1	174	-67.3	174.8	0	0	0	111.7	G425 L426 Q427 Y431 T432 F433 F525	G425-L429 PolarHBondContact O-N 3.01Å; G425-L429 VanDerWaalsContact O-N 3.14Å; L426-L429 HydrophobicContact CD1-CD1 4.16Å; L426-L429 PolarHBondContact O-N 3.27Å; Q427-L429 VanDerWaalsContact C-N 3.3Å; Q427-L429 PolarHBondContact O-N 2.98Å; L429-Y431 PolarHBondContact O-N 3.04Å; L429-T432 PolarHBondContact O-N 3.04Å; L429-F433 WeakPolarHBondContact O-CG 3.47Å; L429-F433 PolarHBondContact O-N 3Å; L429-F525 HydrophobicContact CD2-CE2 4.37Å
430	G	90.6	Very high	91.7	Very high	44 Å²	44	64 Å²	64	45%	0.454	31%	0.314	S	S	.	.	H	α-helix	trans	-61.1	-42.2	178.9	0	0	0	0	0	113.1	L426 Q427 K434	L426-G430 PolarHBondContact O-N 3.31Å; Q427-G430 PolarHBondContact O-N 3.41Å; G430-K434 PolarHBondContact O-N 3.29Å; G430-K434 VanDerWaalsContact O-N 3.1Å
431	Y	90	Very high	91.7	Very high	77 Å²	77	65.4 Å²	65.4	30%	0.302	33%	0.33	S	S	.	.	H	α-helix	trans	-63.9	-44.9	174.5	179.4	-91.1	0	0	0	111.9	Q427 A428 L429 F433 K434 R435 F528	Q427-Y431 PolarHBondContact O-N 3.28Å; A428-Y431 PolarHBondContact O-N 3.18Å; L429-Y431 PolarHBondContact O-N 3.04Å; Y431-F433 VanDerWaalsContact C-N 3.34Å; Y431-F433 PolarHBondContact O-N 3.11Å; Y431-K434 PolarHBondContact O-N 3.43Å; Y431-R435 HydrophobicContact CE1-CB 4.46Å; Y431-R435 WeakPolarHBondContact O-CB 3.36Å; Y431-R435 PolarHBondContact O-N 3.02Å; Y431-F528 HydrophobicContact CD1-CB 3.61Å; Y431-F528 AromaticContact CD1-CD2 3.43Å; Y431-F528 HydrophobicContact CD1-CD2 3.43Å; Y431-F528 VanDerWaalsContact CD1-CD2 3.43Å; Y431-F528 HydrophobicContact CD1-CE2 4.45Å; Y431-F528 AromaticContact CD1-CG 3.9Å; Y431-F528 HydrophobicContact CD1-CG 3.9Å; Y431-F528 AromaticContact CD2-CD2 3.9Å; Y431-F528 HydrophobicContact CD2-CD2 3.9Å; Y431-F528 HydrophobicContact CD2-CE2 4.3Å; Y431-F528 HydrophobicContact CE1-CB 3.91Å; Y431-F528 HydrophobicContact CE1-CD2 4.02Å; Y431-F528 HydrophobicContact CE1-CG 4.46Å; Y431-F528 HydrophobicContact CE2-CD2 4.45Å; Y431-F528 HydrophobicContact CG-CB 4.4Å; Y431-F528 AromaticContact CG-CD2 3.33Å; Y431-F528 HydrophobicContact CG-CD2 3.33Å; Y431-F528 AromaticContact CG-CE2 3.94Å; Y431-F528 HydrophobicContact CG-CE2 3.94Å; Y431-F528 HydrophobicContact CG-CG 4.19Å
432	T	92.2	Very high	91.8	Very high	3 Å²	3	69.1 Å²	69.1	2%	0.018	35%	0.35	C	S	.	.	H	α-helix	trans	-62.7	-42.6	-178.9	-58.1	0	0	0	0	110.8	A428 L429 R435 S436 I521 N524 F525	A428-T432 VanDerWaalsContact O-CB 3.26Å; A428-T432 WeakPolarHBondContact O-CB 3.41Å; A428-T432 PolarHBondContact O-N 2.97Å; A428-T432 PolarHBondContact O-OG1 3.31Å; L429-T432 PolarHBondContact O-N 3.04Å; T432-R435 PolarHBondContact O-N 3.11Å; T432-S436 WeakPolarHBondContact O-CB 3.38Å; T432-S436 PolarHBondContact O-N 2.88Å; T432-S436 PolarHBondContact O-OG 3.39Å; T432-I521 HydrophobicContact CG2-CG2 3.76Å; T432-I521 WeakPolarHBondContact CG2-O 3.28Å; T432-N524 HydrophobicContact CG2-CB 4.26Å; T432-F525 HydrophobicContact CG2-CB 4.15Å; T432-F525 WeakPolarHBondContact OG1-CA 3.24Å; T432-F525 WeakPolarHBondContact OG1-CD2 3.43Å
433	F	92.4	Very high	92	Very high	115 Å²	115	67.7 Å²	67.7	50%	0.504	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-42.9	174	-68.6	-22.8	0	0	0	112.7	L429 Y431 R435 S436 Y437 L440	L429-F433 WeakPolarHBondContact O-CG 3.47Å; L429-F433 PolarHBondContact O-N 3Å; Y431-F433 VanDerWaalsContact C-N 3.34Å; Y431-F433 PolarHBondContact O-N 3.11Å; F433-R435 VanDerWaalsContact C-N 3.3Å; F433-R435 PolarHBondContact O-N 3.14Å; F433-S436 CarbonylContact O-C 3.59Å; F433-S436 PolarHBondContact O-N 3.26Å; F433-Y437 WeakPolarHBondContact O-CA 3.3Å; F433-Y437 PolarHBondContact O-N 3.36Å; F433-L440 HydrophobicContact CB-CD1 4.23Å; F433-L440 HydrophobicContact CD1-CD1 3.7Å; F433-L440 HydrophobicContact CE1-CD1 4.44Å; F433-L440 HydrophobicContact CG-CD1 4.27Å
434	K	92.2	Very high	92.2	Very high	167 Å²	167	71.7 Å²	71.7	73%	0.726	36%	0.36	S	S	*	.	H	α-helix	trans	-61.7	-38.9	175.9	-175.7	179.5	178	-176.4	0	111.9	G430 Y431 Y437	G430-K434 PolarHBondContact O-N 3.29Å; G430-K434 VanDerWaalsContact O-N 3.1Å; Y431-K434 PolarHBondContact O-N 3.43Å; K434-Y437 VanDerWaalsContact O-CD1 3.28Å; K434-Y437 WeakPolarHBondContact O-CD1 3.24Å
435	R	91.1	Very high	92.6	Very high	106 Å²	106	73.8 Å²	73.8	40%	0.4	37%	0.368	S	S	.	.	H	α-helix	trans	-77.7	-32.8	-179.3	-169	168.9	177.5	-170.8	-7	112.7	Y431 T432 F433 N524 D527	Y431-R435 HydrophobicContact CE1-CB 4.46Å; Y431-R435 WeakPolarHBondContact O-CB 3.36Å; Y431-R435 PolarHBondContact O-N 3.02Å; T432-R435 PolarHBondContact O-N 3.11Å; F433-R435 VanDerWaalsContact C-N 3.3Å; F433-R435 PolarHBondContact O-N 3.14Å; R435-N524 HydrophobicContact CG-CB 4.39Å; R435-N524 PolarHBondContact NE-OD1 3.35Å; R435-D527 IonicContact CZ-OD2 3.07Å; R435-D527 VanDerWaalsContact CZ-OD2 3.23Å; R435-D527 IonicContact NH1-OD2 3.71Å; R435-D527 PolarHBondContact NH1-OD2 2.68Å; R435-D527 IonicContact NH2-OD2 3.99Å; R435-D527 PolarHBondContact NH2-OD2 3.23Å
436	S	93	Very high	93	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	15.7	-178.4	-53.5	0	0	0	0	113.3	T432 F433 K438 E439 L440 N524	T432-S436 WeakPolarHBondContact O-CB 3.38Å; T432-S436 PolarHBondContact O-N 2.88Å; T432-S436 PolarHBondContact O-OG 3.39Å; F433-S436 CarbonylContact O-C 3.59Å; F433-S436 PolarHBondContact O-N 3.26Å; S436-K438 VanDerWaalsContact C-N 3.28Å; S436-K438 PolarHBondContact O-N 3.44Å; S436-E439 WeakPolarHBondContact O-CB 3.42Å; S436-E439 PolarHBondContact O-N 3.41Å; S436-E439 VanDerWaalsContact O-N 3.11Å; S436-L440 WeakPolarHBondContact O-CG 3.31Å; S436-L440 PolarHBondContact O-N 3.47Å; S436-N524 PolarHBondContact OG-ND2 3.35Å
437	Y	95	Very high	93.2	Very high	148 Å²	148	73.6 Å²	73.6	58%	0.58	36%	0.361	S	S	*	.	H	α-helix	trans	-60.8	-34.3	-172	81.3	-84	0	0	0	113.5	F433 K434 G441	F433-Y437 WeakPolarHBondContact O-CA 3.3Å; F433-Y437 PolarHBondContact O-N 3.36Å; K434-Y437 VanDerWaalsContact O-CD1 3.28Å; K434-Y437 WeakPolarHBondContact O-CD1 3.24Å; Y437-G441 PolarHBondContact O-N 2.68Å
438	K	95.3	Very high	93.6	Very high	140 Å²	140	73.3 Å²	73.3	61%	0.609	37%	0.369	S	S	*	.	H	α-helix	trans	-66.6	-44.1	176.1	-65	-175.4	-179.4	178.7	0	111.1	S436 G441 L442	S436-K438 VanDerWaalsContact C-N 3.28Å; S436-K438 PolarHBondContact O-N 3.44Å; K438-G441 PolarHBondContact O-N 3.35Å; K438-L442 PolarHBondContact O-N 3Å
439	E	93	Very high	93.9	Very high	62 Å²	62	78.6 Å²	78.6	29%	0.29	40%	0.397	S	S	.	.	H	α-helix	trans	-66.2	-43.1	178.4	-50.7	-54.7	150.5	0	0	111.4	S436 G441 L442 L443 I520	S436-E439 WeakPolarHBondContact O-CB 3.42Å; S436-E439 PolarHBondContact O-N 3.41Å; S436-E439 VanDerWaalsContact O-N 3.11Å; E439-G441 VanDerWaalsContact C-N 3.33Å; E439-L442 PolarHBondContact O-N 2.73Å; E439-L443 WeakPolarHBondContact O-CB 3.48Å; E439-L443 PolarHBondContact O-N 3.07Å; E439-I520 HydrophobicContact CG-CB 4.48Å; E439-I520 HydrophobicContact CG-CD1 4.28Å; E439-I520 HydrophobicContact CG-CG2 3.8Å
440	L	92.8	Very high	94.2	Very high	44 Å²	44	75.1 Å²	75.1	23%	0.23	38%	0.38	C	S	.	.	H	α-helix	trans	-63.5	-40.2	173.7	-70.5	169	0	0	0	111.3	F433 S436 L443 M444 I521	F433-L440 HydrophobicContact CB-CD1 4.23Å; F433-L440 HydrophobicContact CD1-CD1 3.7Å; F433-L440 HydrophobicContact CE1-CD1 4.44Å; F433-L440 HydrophobicContact CG-CD1 4.27Å; S436-L440 WeakPolarHBondContact O-CG 3.31Å; S436-L440 PolarHBondContact O-N 3.47Å; L440-L443 PolarHBondContact O-N 2.97Å; L440-M444 VanDerWaalsContact O-CG 3.3Å; L440-M444 WeakPolarHBondContact O-CG 3.45Å; L440-M444 PolarHBondContact O-N 3.41Å; L440-I521 HydrophobicContact CD2-CD1 3.86Å
441	G	94.9	Very high	94.6	Very high	40 Å²	40	73.6 Å²	73.6	41%	0.412	36%	0.362	S	S	.	.	H	α-helix	trans	-61.1	-44	174.5	0	0	0	0	0	112.4	Y437 K438 E439 M444 L445	Y437-G441 PolarHBondContact O-N 2.68Å; K438-G441 PolarHBondContact O-N 3.35Å; E439-G441 VanDerWaalsContact C-N 3.33Å; G441-M444 PolarHBondContact O-N 3.18Å; G441-L445 WeakPolarHBondContact O-CB 2.87Å; G441-L445 PolarHBondContact O-N 2.88Å
442	L	94.6	Very high	95	Very high	101 Å²	101	73.5 Å²	73.5	53%	0.529	37%	0.369	S	S	.	.	H	α-helix	trans	-63.7	-42.8	175	179.8	61.6	0	0	0	111.8	K438 E439 L445 L446	K438-L442 PolarHBondContact O-N 3Å; E439-L442 PolarHBondContact O-N 2.73Å; L442-L445 PolarHBondContact O-N 3.3Å; L442-L446 WeakPolarHBondContact O-CB 3.4Å; L442-L446 PolarHBondContact O-N 3.09Å
443	L	94.7	Very high	95.3	Very high	25 Å²	25	77.6 Å²	77.6	13%	0.131	39%	0.391	C	S	.	.	H	α-helix	trans	-58.6	-49.2	175.2	176.7	59.3	0	0	0	111.4	E439 L440 L445 L446 I447 V513 P517	E439-L443 WeakPolarHBondContact O-CB 3.48Å; E439-L443 PolarHBondContact O-N 3.07Å; L440-L443 PolarHBondContact O-N 2.97Å; L443-L445 VanDerWaalsContact C-N 3.31Å; L443-L445 PolarHBondContact O-N 3.02Å; L443-L446 PolarHBondContact O-N 3.45Å; L443-I447 HydrophobicContact CD1-CD1 3.83Å; L443-I447 HydrophobicContact CD1-CG1 4.12Å; L443-I447 HydrophobicContact CG-CD1 3.99Å; L443-I447 WeakPolarHBondContact O-CG1 3.24Å; L443-I447 PolarHBondContact O-N 2.93Å; L443-V513 HydrophobicContact CD1-CG1 3.84Å; L443-V513 WeakPolarHBondContact CD1-O 3.36Å; L443-P517 HydrophobicContact CB-CG 4.08Å; L443-P517 HydrophobicContact CD1-CG 4.14Å; L443-P517 HydrophobicContact CD2-CG 4.43Å; L443-P517 HydrophobicContact CG-CG 4.43Å
444	M	95	Very high	95.6	Very high	127 Å²	127	72.6 Å²	72.6	63%	0.626	37%	0.369	S	S	*	.	H	α-helix	trans	-62.9	-37.9	178.9	-69	-58.3	-65.4	0	0	111.9	L440 G441 A448	L440-M444 VanDerWaalsContact O-CG 3.3Å; L440-M444 WeakPolarHBondContact O-CG 3.45Å; L440-M444 PolarHBondContact O-N 3.41Å; G441-M444 PolarHBondContact O-N 3.18Å; M444-A448 VanDerWaalsContact O-CB 3.27Å; M444-A448 WeakPolarHBondContact O-CB 3.44Å; M444-A448 PolarHBondContact O-N 3.09Å
445	L	96.4	Very high	95.9	Very high	116 Å²	116	64.6 Å²	64.6	61%	0.607	33%	0.334	S	S	*	.	H	α-helix	trans	-63.7	-44.4	174.5	179.8	67.7	0	0	0	111.7	G441 L442 L443 A448 L449	G441-L445 WeakPolarHBondContact O-CB 2.87Å; G441-L445 PolarHBondContact O-N 2.88Å; L442-L445 PolarHBondContact O-N 3.3Å; L443-L445 VanDerWaalsContact C-N 3.31Å; L443-L445 PolarHBondContact O-N 3.02Å; L445-A448 PolarHBondContact O-N 3.34Å; L445-L449 WeakPolarHBondContact O-CB 3.36Å; L445-L449 PolarHBondContact O-N 3.26Å
446	L	96.3	Very high	96.2	Very high	64 Å²	64	61 Å²	61	34%	0.335	33%	0.325	S	S	.	.	H	α-helix	trans	-69	-38.3	-179.1	-172.6	53.2	0	0	0	111.8	L442 L443 G450 V513	L442-L446 WeakPolarHBondContact O-CB 3.4Å; L442-L446 PolarHBondContact O-N 3.09Å; L443-L446 PolarHBondContact O-N 3.45Å; L446-G450 PolarHBondContact O-N 2.86Å; L446-V513 HydrophobicContact CB-CG1 4.02Å; L446-V513 HydrophobicContact CD1-CG2 4.21Å; L446-V513 HydrophobicContact CD2-CB 4.06Å; L446-V513 HydrophobicContact CD2-CG1 3.73Å; L446-V513 HydrophobicContact CD2-CG2 3.62Å; L446-V513 HydrophobicContact CG-CB 4.16Å; L446-V513 HydrophobicContact CG-CG1 3.59Å; L446-V513 HydrophobicContact CG-CG2 3.56Å
447	I	96.2	Very high	96.5	Very high	27 Å²	27	65 Å²	65	14%	0.138	35%	0.346	C	S	.	.	H	α-helix	trans	-64	-47.7	170.5	-68.9	173.9	0	0	0	110.4	L443 L449 G450 V451 V513 V514	L443-I447 HydrophobicContact CD1-CD1 3.83Å; L443-I447 HydrophobicContact CD1-CG1 4.12Å; L443-I447 HydrophobicContact CG-CD1 3.99Å; L443-I447 WeakPolarHBondContact O-CG1 3.24Å; L443-I447 PolarHBondContact O-N 2.93Å; I447-L449 VanDerWaalsContact C-N 3.34Å; I447-L449 PolarHBondContact O-N 3.49Å; I447-G450 PolarHBondContact O-N 3.21Å; I447-V451 HydrophobicContact CG2-CG2 4.16Å; I447-V451 WeakPolarHBondContact O-CB 3.19Å; I447-V451 VanDerWaalsContact O-CG2 3.29Å; I447-V451 WeakPolarHBondContact O-CG2 3.42Å; I447-V451 PolarHBondContact O-N 3.49Å; I447-V513 HydrophobicContact CG1-CG1 3.88Å; I447-V514 HydrophobicContact CD1-CG2 4.43Å
448	A	97.5	Very high	96.6	Very high	53 Å²	53	58 Å²	58	44%	0.438	32%	0.318	S	S	.	.	H	α-helix	trans	-60.7	-43.4	179.8	0	0	0	0	0	112.1	M444 L445 V451 V452	M444-A448 VanDerWaalsContact O-CB 3.27Å; M444-A448 WeakPolarHBondContact O-CB 3.44Å; M444-A448 PolarHBondContact O-N 3.09Å; L445-A448 PolarHBondContact O-N 3.34Å; A448-V451 PolarHBondContact O-N 2.81Å; A448-V452 WeakPolarHBondContact O-CG2 3.49Å; A448-V452 PolarHBondContact O-N 3.34Å
449	L	97.6	Very high	96.8	Very high	111 Å²	111	54 Å²	54	58%	0.581	30%	0.3	S	S	*	.	H	α-helix	trans	-62.1	-45.7	174.6	179.1	63.6	0	0	0	111.5	L445 I447 V452 L453	L445-L449 WeakPolarHBondContact O-CB 3.36Å; L445-L449 PolarHBondContact O-N 3.26Å; I447-L449 VanDerWaalsContact C-N 3.34Å; I447-L449 PolarHBondContact O-N 3.49Å; L449-V452 PolarHBondContact O-N 3.33Å; L449-L453 VanDerWaalsContact O-CB 3.29Å; L449-L453 WeakPolarHBondContact O-CB 3.32Å; L449-L453 PolarHBondContact O-N 3.19Å
450	G	97.8	Very high	97	Very high	7 Å²	7	57.1 Å²	57.1	7%	0.072	31%	0.313	C	S	.	.	H	α-helix	trans	-62.6	-41.9	177.4	0	0	0	0	0	112.6	L446 I447 L453 F454 M484	L446-G450 PolarHBondContact O-N 2.86Å; I447-G450 PolarHBondContact O-N 3.21Å; G450-L453 PolarHBondContact O-N 3.01Å; G450-F454 WeakPolarHBondContact O-CB 3.31Å; G450-F454 WeakPolarHBondContact O-CD2 3.33Å; G450-F454 PolarHBondContact O-N 3.3Å; G450-M484 VanDerWaalsContact CA-SD 3.54Å
451	V	98.2	Very high	97.2	Very high	13 Å²	13	55.8 Å²	55.8	8%	0.079	31%	0.308	C	S	.	.	H	α-helix	trans	-59.4	-51.5	174.9	168.4	0	0	0	0	109.9	I447 A448 L453 S455 F477 A480 T481 M484	I447-V451 HydrophobicContact CG2-CG2 4.16Å; I447-V451 WeakPolarHBondContact O-CB 3.19Å; I447-V451 VanDerWaalsContact O-CG2 3.29Å; I447-V451 WeakPolarHBondContact O-CG2 3.42Å; I447-V451 PolarHBondContact O-N 3.49Å; A448-V451 PolarHBondContact O-N 2.81Å; V451-L453 VanDerWaalsContact C-N 3.33Å; V451-L453 PolarHBondContact O-N 3.39Å; V451-S455 WeakPolarHBondContact O-CB 3.45Å; V451-S455 PolarHBondContact O-N 2.87Å; V451-S455 PolarHBondContact O-OG 2.8Å; V451-F477 HydrophobicContact CG1-CB 3.82Å; V451-F477 HydrophobicContact CG1-CD1 3.74Å; V451-F477 HydrophobicContact CG1-CE1 4.47Å; V451-F477 HydrophobicContact CG1-CG 3.85Å; V451-A480 HydrophobicContact CB-CB 4.48Å; V451-A480 HydrophobicContact CG1-CB 4.36Å; V451-A480 HydrophobicContact CG2-CB 4.45Å; V451-T481 WeakPolarHBondContact CG2-OG1 3.05Å; V451-M484 HydrophobicContact CG2-SD 4.11Å; V451-M484 PolarHBondContact N-SD 2.99Å; V451-M484 VanDerWaalsContact N-SD 3.42Å
452	V	98.4	Very high	97.3	Very high	74 Å²	74	53.9 Å²	53.9	45%	0.448	29%	0.288	S	S	.	.	H	α-helix	trans	-60	-43.6	178.8	172.7	0	0	0	0	111.7	A448 L449 S456 F477	A448-V452 WeakPolarHBondContact O-CG2 3.49Å; A448-V452 PolarHBondContact O-N 3.34Å; L449-V452 PolarHBondContact O-N 3.33Å; V452-S456 WeakPolarHBondContact O-CB 3.28Å; V452-S456 PolarHBondContact O-N 3.43Å; V452-S456 PolarHBondContact O-OG 2.98Å; V452-F477 HydrophobicContact CG2-CE1 4.3Å; V452-F477 HydrophobicContact CG2-CZ 4.19Å
453	L	98.6	Very high	97.4	Very high	90 Å²	90	52.4 Å²	52.4	47%	0.471	28%	0.278	S	S	.	.	H	α-helix	trans	-63.4	-59.1	179.7	-175.7	91.4	0	0	0	111.6	L449 G450 V451 S456 L457	L449-L453 VanDerWaalsContact O-CB 3.29Å; L449-L453 WeakPolarHBondContact O-CB 3.32Å; L449-L453 PolarHBondContact O-N 3.19Å; G450-L453 PolarHBondContact O-N 3.01Å; V451-L453 VanDerWaalsContact C-N 3.33Å; V451-L453 PolarHBondContact O-N 3.39Å; L453-S456 PolarHBondContact O-N 3.27Å; L453-L457 HydrophobicContact CG-CD1 4.24Å; L453-L457 WeakPolarHBondContact O-CG 3.33Å; L453-L457 PolarHBondContact O-N 2.98Å
454	F	98.6	Very high	97.3	Very high	9 Å²	9	57.3 Å²	57.3	4%	0.039	30%	0.304	C	S	.	.	H	α-helix	trans	-72.2	-32.3	-173	-70.8	-63.2	0	0	0	112.6	G450 S456 L457 V458 W479 A480 M484 I502 C505 C506 C509	G450-F454 WeakPolarHBondContact O-CB 3.31Å; G450-F454 WeakPolarHBondContact O-CD2 3.33Å; G450-F454 PolarHBondContact O-N 3.3Å; F454-S456 VanDerWaalsContact C-N 3.33Å; F454-L457 HydrophobicContact CD1-CD1 4.31Å; F454-L457 PolarHBondContact O-N 3.49Å; F454-V458 WeakPolarHBondContact O-CB 3.29Å; F454-V458 VanDerWaalsContact O-CG1 3.32Å; F454-V458 WeakPolarHBondContact O-CG1 3.22Å; F454-V458 PolarHBondContact O-N 3.38Å; F454-W479 HydrophobicContact CB-CZ3 4.45Å; F454-A480 HydrophobicContact CB-CB 4.3Å; F454-M484 HydrophobicContact CD2-SD 4.31Å; F454-I502 HydrophobicContact CD1-CG2 4.1Å; F454-C505 HydrophobicContact CE1-CB 4.3Å; F454-C506 HydrophobicContact CB-CB 4.15Å; F454-C506 HydrophobicContact CD1-CB 3.7Å; F454-C506 HydrophobicContact CD2-CB 3.94Å; F454-C506 HydrophobicContact CE1-CB 4.02Å; F454-C506 HydrophobicContact CE2-CB 4.26Å; F454-C506 HydrophobicContact CG-CB 3.66Å; F454-C506 HydrophobicContact CZ-CB 4.3Å; F454-C509 HydrophobicContact CE2-CB 3.74Å; F454-C509 HydrophobicContact CZ-CB 3.77Å
455	S	98.5	Very high	97.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.4	-36.2	171.7	-64.5	0	0	0	0	112.6	V451 V458 Y459 A476 F477 A480	V451-S455 WeakPolarHBondContact O-CB 3.45Å; V451-S455 PolarHBondContact O-N 2.87Å; V451-S455 PolarHBondContact O-OG 2.8Å; S455-V458 WeakPolarHBondContact O-CG1 3.05Å; S455-Y459 WeakPolarHBondContact O-CB 3.49Å; S455-Y459 PolarHBondContact O-N 2.87Å; S455-Y459 VanDerWaalsContact O-N 3.09Å; S455-A476 PolarHBondContact OG-O 2.67Å; S455-F477 VanDerWaalsContact OG-CA 3.26Å; S455-F477 WeakPolarHBondContact OG-CA 3.34Å; S455-F477 WeakPolarHBondContact OG-CD1 3.48Å; S455-F477 PolarHBondContact OG-N 3.14Å; S455-A480 WeakPolarHBondContact OG-CB 3.41Å
456	S	98.5	Very high	96.9	Very high	31 Å²	31	53 Å²	53	22%	0.217	28%	0.28	C	S	.	.	H	α-helix	trans	-68.3	-47.9	175.1	-58.5	0	0	0	0	110.9	V452 L453 F454 Y459 F460	V452-S456 WeakPolarHBondContact O-CB 3.28Å; V452-S456 PolarHBondContact O-N 3.43Å; V452-S456 PolarHBondContact O-OG 2.98Å; L453-S456 PolarHBondContact O-N 3.27Å; F454-S456 VanDerWaalsContact C-N 3.33Å; S456-Y459 PolarHBondContact O-N 2.85Å; S456-F460 WeakPolarHBondContact O-CD2 3.25Å; S456-F460 PolarHBondContact O-N 3.36Å; S456-F460 VanDerWaalsContact O-N 3.08Å
457	L	98.5	Very high	96.5	Very high	83 Å²	83	53.1 Å²	53.1	44%	0.435	29%	0.286	S	S	.	.	H	α-helix	trans	-61.3	-47.6	179.6	-69	175.7	0	0	0	112.3	L453 F454 Y459 F460 A461 I502	L453-L457 HydrophobicContact CG-CD1 4.24Å; L453-L457 WeakPolarHBondContact O-CG 3.33Å; L453-L457 PolarHBondContact O-N 2.98Å; F454-L457 HydrophobicContact CD1-CD1 4.31Å; F454-L457 PolarHBondContact O-N 3.49Å; L457-Y459 VanDerWaalsContact C-N 3.34Å; L457-Y459 PolarHBondContact O-N 2.89Å; L457-F460 PolarHBondContact O-N 3.35Å; L457-A461 WeakPolarHBondContact O-CB 3.24Å; L457-A461 PolarHBondContact O-N 3.49Å; L457-I502 HydrophobicContact CB-CD1 4.05Å; L457-I502 HydrophobicContact CB-CG1 4.43Å; L457-I502 HydrophobicContact CB-CG2 3.96Å
458	V	98.2	Very high	96.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-67.3	-36.8	-179.8	77.2	0	0	0	0	111.4	F454 S455 F460 A461 E462 F470 A476 W479 P494 I502	F454-V458 WeakPolarHBondContact O-CB 3.29Å; F454-V458 VanDerWaalsContact O-CG1 3.32Å; F454-V458 WeakPolarHBondContact O-CG1 3.22Å; F454-V458 PolarHBondContact O-N 3.38Å; S455-V458 WeakPolarHBondContact O-CG1 3.05Å; V458-F460 PolarHBondContact O-N 2.66Å; V458-A461 PolarHBondContact O-N 2.98Å; V458-E462 HydrophobicContact CG2-CG 3.86Å; V458-E462 VanDerWaalsContact O-CB 3.25Å; V458-E462 WeakPolarHBondContact O-CB 3.39Å; V458-E462 WeakPolarHBondContact O-CG 3.45Å; V458-E462 PolarHBondContact O-N 3.48Å; V458-F470 HydrophobicContact CB-CE1 4.29Å; V458-F470 HydrophobicContact CG1-CD1 3.75Å; V458-F470 HydrophobicContact CG1-CE1 3.58Å; V458-F470 HydrophobicContact CG2-CD1 4.19Å; V458-F470 HydrophobicContact CG2-CE1 3.66Å; V458-F470 HydrophobicContact CG2-CE2 4.42Å; V458-F470 HydrophobicContact CG2-CZ 3.79Å; V458-A476 HydrophobicContact CG1-CB 4.1Å; V458-W479 HydrophobicContact CB-CE3 4.1Å; V458-W479 HydrophobicContact CB-CH2 3.96Å; V458-W479 HydrophobicContact CB-CZ3 3.57Å; V458-W479 HydrophobicContact CG1-CD2 4.44Å; V458-W479 HydrophobicContact CG1-CE3 3.59Å; V458-W479 HydrophobicContact CG1-CH2 4.37Å; V458-W479 HydrophobicContact CG1-CZ3 3.55Å; V458-W479 HydrophobicContact CG2-CE3 4.24Å; V458-W479 HydrophobicContact CG2-CH2 3.82Å; V458-W479 HydrophobicContact CG2-CZ2 4.22Å; V458-W479 HydrophobicContact CG2-CZ3 3.85Å; V458-P494 HydrophobicContact CG2-CB 4.26Å; V458-I502 HydrophobicContact CB-CG2 4.34Å
459	Y	98.2	Very high	96	Very high	57 Å²	57	59.2 Å²	59.2	22%	0.224	31%	0.305	C	S	.	.	H	α-helix	trans	-58.9	-49.5	174.8	169.6	-102.4	0	0	0	110.5	S455 S456 L457 A461 E462 K463 F470 I473	S455-Y459 WeakPolarHBondContact O-CB 3.49Å; S455-Y459 PolarHBondContact O-N 2.87Å; S455-Y459 VanDerWaalsContact O-N 3.09Å; S456-Y459 PolarHBondContact O-N 2.85Å; L457-Y459 VanDerWaalsContact C-N 3.34Å; L457-Y459 PolarHBondContact O-N 2.89Å; Y459-A461 VanDerWaalsContact C-N 3.27Å; Y459-A461 PolarHBondContact O-N 3.26Å; Y459-E462 PolarHBondContact O-N 3.02Å; Y459-K463 HydrophobicContact CD2-CB 4.36Å; Y459-K463 HydrophobicContact CE1-CD 4.29Å; Y459-K463 HydrophobicContact CE2-CB 4.02Å; Y459-K463 WeakPolarHBondContact O-CA 3.25Å; Y459-K463 WeakPolarHBondContact O-CB 3.26Å; Y459-K463 WeakPolarHBondContact O-CG 3.39Å; Y459-K463 PolarHBondContact O-N 3.29Å; Y459-F470 VanDerWaalsContact CD2-O 3.28Å; Y459-F470 WeakPolarHBondContact CD2-O 3.46Å; Y459-F470 WeakPolarHBondContact CE2-O 3.19Å; Y459-I473 HydrophobicContact CD1-CD1 4.19Å; Y459-I473 HydrophobicContact CD1-CG1 3.58Å; Y459-I473 HydrophobicContact CE1-CG1 4.21Å; Y459-I473 HydrophobicContact CG-CG1 3.81Å
460	F	97.9	Very high	95.9	Very high	128 Å²	128	54 Å²	54	56%	0.561	28%	0.278	S	S	*	.	H	α-helix	trans	-67.4	-26.8	178.5	-74.1	-64.3	0	0	0	113.7	S456 L457 V458 K463 I473	S456-F460 WeakPolarHBondContact O-CD2 3.25Å; S456-F460 PolarHBondContact O-N 3.36Å; S456-F460 VanDerWaalsContact O-N 3.08Å; L457-F460 PolarHBondContact O-N 3.35Å; V458-F460 PolarHBondContact O-N 2.66Å; F460-K463 HydrophobicContact CD1-CD 4.12Å; F460-I473 HydrophobicContact CE2-CD1 4.39Å
461	A	97.4	Very high	95.7	Very high	15 Å²	15	62.7 Å²	62.7	12%	0.124	31%	0.308	C	S	.	.	H	α-helix	trans	-75.5	-33.7	174.2	0	0	0	0	0	113.3	L457 V458 Y459 T496 L498 I502	L457-A461 WeakPolarHBondContact O-CB 3.24Å; L457-A461 PolarHBondContact O-N 3.49Å; V458-A461 PolarHBondContact O-N 2.98Å; Y459-A461 VanDerWaalsContact C-N 3.27Å; Y459-A461 PolarHBondContact O-N 3.26Å; A461-T496 WeakPolarHBondContact O-CG2 3.26Å; A461-L498 HydrophobicContact CB-CB 4.29Å; A461-L498 HydrophobicContact CB-CD2 3.61Å; A461-L498 HydrophobicContact CB-CG 4.01Å; A461-I502 HydrophobicContact CB-CD1 3.63Å
462	E	96.9	Very high	95.7	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-108.3	-13.6	-169.3	-66.1	-72.9	140	0	0	113.9	V458 Y459 D464 E465 N466 F470 P494 R495 T496	V458-E462 HydrophobicContact CG2-CG 3.86Å; V458-E462 VanDerWaalsContact O-CB 3.25Å; V458-E462 WeakPolarHBondContact O-CB 3.39Å; V458-E462 WeakPolarHBondContact O-CG 3.45Å; V458-E462 PolarHBondContact O-N 3.48Å; Y459-E462 PolarHBondContact O-N 3.02Å; E462-D464 PolarHBondContact O-N 3.49Å; E462-E465 PolarHBondContact O-N 3.1Å; E462-N466 HydrophobicContact CB-CB 4.22Å; E462-N466 CarbonylContact O-C 3.51Å; E462-N466 WeakPolarHBondContact O-CA 3.4Å; E462-N466 PolarHBondContact O-N 3Å; E462-N466 WeakPolarHBondContact OE2-CB 3.39Å; E462-N466 PolarHBondContact OE2-ND2 3.24Å; E462-F470 HydrophobicContact CB-CB 3.96Å; E462-F470 HydrophobicContact CB-CD2 3.46Å; E462-F470 VanDerWaalsContact CB-CD2 3.46Å; E462-F470 HydrophobicContact CB-CE2 4.13Å; E462-F470 HydrophobicContact CB-CG 3.81Å; E462-F470 HydrophobicContact CG-CD2 3.69Å; E462-F470 HydrophobicContact CG-CE2 3.82Å; E462-F470 HydrophobicContact CG-CG 4.28Å; E462-F470 HydrophobicContact CG-CZ 4.5Å; E462-P494 HydrophobicContact CG-CB 4.21Å; E462-P494 WeakPolarHBondContact OE1-CA 3.37Å; E462-P494 WeakPolarHBondContact OE1-CB 3.42Å; E462-R495 VanDerWaalsContact CD-N 3.31Å; E462-R495 PolarHBondContact OE1-N 3.44Å; E462-R495 VanDerWaalsContact OE1-N 3.08Å; E462-R495 PolarHBondContact OE2-N 2.96Å; E462-T496 VanDerWaalsContact OE1-CB 3.28Å; E462-T496 WeakPolarHBondContact OE1-CB 3.48Å; E462-T496 WeakPolarHBondContact OE1-CG2 3.21Å; E462-T496 PolarHBondContact OE1-N 3.26Å; E462-T496 PolarHBondContact OE1-OG1 3.04Å
463	K	94.9	Very high	95.6	Very high	71 Å²	71	63 Å²	63	31%	0.309	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.5	-173.1	61.6	172.9	-171.5	67.9	0	114.6	Y459 F460 S467	Y459-K463 HydrophobicContact CD2-CB 4.36Å; Y459-K463 HydrophobicContact CE1-CD 4.29Å; Y459-K463 HydrophobicContact CE2-CB 4.02Å; Y459-K463 WeakPolarHBondContact O-CA 3.25Å; Y459-K463 WeakPolarHBondContact O-CB 3.26Å; Y459-K463 WeakPolarHBondContact O-CG 3.39Å; Y459-K463 PolarHBondContact O-N 3.29Å; F460-K463 HydrophobicContact CD1-CD 4.12Å; K463-S467 WeakPolarHBondContact O-CB 3.41Å
464	D	93.6	Very high	95.6	Very high	128 Å²	128	62.8 Å²	62.8	68%	0.684	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-33.7	-176.5	-58.9	-41.5	0	0	0	112.4	E462	E462-D464 PolarHBondContact O-N 3.49Å
465	E	92.1	Very high	95.5	Very high	144 Å²	144	64.4 Å²	64.4	67%	0.673	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-20.9	-177.2	-69.7	-174.9	-139.7	0	0	114.2	E462 T496	E462-E465 PolarHBondContact O-N 3.1Å; E465-T496 HydrophobicContact CB-CG2 3.84Å; E465-T496 HydrophobicContact CG-CG2 4.08Å
466	N	91.5	Very high	95.4	Very high	8 Å²	8	64.4 Å²	64.4	4%	0.043	33%	0.326	C	S	.	.			trans	-146.5	44.6	-169.9	-170.8	21.2	0	0	0	111.7	E462 E468 M469 F470 L493	E462-N466 HydrophobicContact CB-CB 4.22Å; E462-N466 CarbonylContact O-C 3.51Å; E462-N466 WeakPolarHBondContact O-CA 3.4Å; E462-N466 PolarHBondContact O-N 3Å; E462-N466 WeakPolarHBondContact OE2-CB 3.39Å; E462-N466 PolarHBondContact OE2-ND2 3.24Å; N466-E468 PolarHBondContact O-N 2.89Å; N466-M469 PolarHBondContact O-N 3.45Å; N466-M469 WeakPolarHBondContact OD1-CG 3.28Å; N466-F470 WeakPolarHBondContact ND2-CE2 3.04Å; N466-F470 PolarHBondContact O-N 2.98Å; N466-L493 PolarHBondContact ND2-O 2.81Å
467	S	87.7	Confident	95.4	Very high	66 Å²	66	66.3 Å²	66.3	46%	0.462	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.8	-179.6	57.6	0	0	0	0	113.6	K463 M469 F470 R471	K463-S467 WeakPolarHBondContact O-CB 3.41Å; S467-M469 VanDerWaalsContact C-N 3.34Å; S467-M469 PolarHBondContact O-N 3.14Å; S467-F470 CarbonylContact O-C 3.35Å; S467-R471 WeakPolarHBondContact O-CA 3.48Å; S467-R471 WeakPolarHBondContact O-CG 3.35Å; S467-R471 PolarHBondContact O-N 3.29Å
468	E	90.8	Very high	95.4	Very high	155 Å²	155	68.1 Å²	68.1	72%	0.724	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-41.4	178.5	-66.5	-174.7	174	0	0	112.3	N466 R471	N466-E468 PolarHBondContact O-N 2.89Å; E468-R471 WeakPolarHBondContact O-CG 3.47Å; E468-R471 PolarHBondContact O-NE 3.1Å
469	M	92.3	Very high	95.4	Very high	53 Å²	53	68.5 Å²	68.5	26%	0.261	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-51.6	175.6	-63.7	-174.5	-179.8	0	0	110.2	N466 S467 R471 M492	N466-M469 PolarHBondContact O-N 3.45Å; N466-M469 WeakPolarHBondContact OD1-CG 3.28Å; S467-M469 VanDerWaalsContact C-N 3.34Å; S467-M469 PolarHBondContact O-N 3.14Å; M469-R471 PolarHBondContact O-N 3.18Å; M469-M492 HydrophobicContact CB-CE 4.45Å; M469-M492 WeakPolarHBondContact O-CE 3.25Å
470	F	94.9	Very high	95.4	Very high	1 Å²	1	65.8 Å²	65.8	0%	0.004	32%	0.323	C	S	.	.			trans	-98	62.1	-174.5	-62.8	-82.9	0	0	0	112.1	V458 Y459 E462 N466 S467 S472 A476 W479 M492	V458-F470 HydrophobicContact CB-CE1 4.29Å; V458-F470 HydrophobicContact CG1-CD1 3.75Å; V458-F470 HydrophobicContact CG1-CE1 3.58Å; V458-F470 HydrophobicContact CG2-CD1 4.19Å; V458-F470 HydrophobicContact CG2-CE1 3.66Å; V458-F470 HydrophobicContact CG2-CE2 4.42Å; V458-F470 HydrophobicContact CG2-CZ 3.79Å; Y459-F470 VanDerWaalsContact CD2-O 3.28Å; Y459-F470 WeakPolarHBondContact CD2-O 3.46Å; Y459-F470 WeakPolarHBondContact CE2-O 3.19Å; E462-F470 HydrophobicContact CB-CB 3.96Å; E462-F470 HydrophobicContact CB-CD2 3.46Å; E462-F470 VanDerWaalsContact CB-CD2 3.46Å; E462-F470 HydrophobicContact CB-CE2 4.13Å; E462-F470 HydrophobicContact CB-CG 3.81Å; E462-F470 HydrophobicContact CG-CD2 3.69Å; E462-F470 HydrophobicContact CG-CE2 3.82Å; E462-F470 HydrophobicContact CG-CG 4.28Å; E462-F470 HydrophobicContact CG-CZ 4.5Å; N466-F470 WeakPolarHBondContact ND2-CE2 3.04Å; N466-F470 PolarHBondContact O-N 2.98Å; S467-F470 CarbonylContact O-C 3.35Å; F470-S472 PolarHBondContact O-N 3.43Å; F470-A476 HydrophobicContact CD1-CB 3.92Å; F470-A476 HydrophobicContact CE1-CB 4.44Å; F470-W479 HydrophobicContact CE1-CB 4.12Å; F470-W479 HydrophobicContact CE1-CD2 4.01Å; F470-W479 HydrophobicContact CE1-CE3 4.33Å; F470-W479 AromaticContact CE1-CG 3.91Å; F470-W479 HydrophobicContact CE1-CG 3.91Å; F470-W479 HydrophobicContact CZ-CD2 4.25Å; F470-W479 HydrophobicContact CZ-CG 4.11Å; F470-M492 HydrophobicContact CD1-CE 4.36Å; F470-M492 HydrophobicContact CE1-CE 4.36Å
471	R	94.5	Very high	95.4	Very high	190 Å²	190	62.2 Å²	62.2	72%	0.717	31%	0.312	S	S	*	.			trans	-64.9	-35.5	-174.8	-63.7	179.2	-173.2	-167.5	-2.2	114.1	S467 E468 M469	S467-R471 WeakPolarHBondContact O-CA 3.48Å; S467-R471 WeakPolarHBondContact O-CG 3.35Å; S467-R471 PolarHBondContact O-N 3.29Å; E468-R471 WeakPolarHBondContact O-CG 3.47Å; E468-R471 PolarHBondContact O-NE 3.1Å; M469-R471 PolarHBondContact O-N 3.18Å
472	S	96.8	Very high	95.4	Very high	45 Å²	45	61.9 Å²	61.9	32%	0.315	31%	0.308	S	S	.	.	S	Bend	trans	-156.1	166.3	-175.8	68.1	0	0	0	0	110.5	F470 S475 A476	F470-S472 PolarHBondContact O-N 3.43Å; S472-S475 PolarHBondContact N-OG 2.77Å; S472-S475 PolarHBondContact O-N 2.7Å; S472-S475 PolarHBondContact O-OG 3Å; S472-S475 WeakPolarHBondContact OG-CB 3.45Å; S472-S475 PolarHBondContact OG-N 3.2Å; S472-S475 VanDerWaalsContact OG-N 3.17Å; S472-S475 PolarHBondContact OG-OG 3.05Å; S472-A476 PolarHBondContact O-N 3.18Å; S472-A476 VanDerWaalsContact O-N 3.11Å
473	I	97.6	Very high	95.4	Very high	50 Å²	50	62.9 Å²	62.9	26%	0.256	31%	0.314	S	S	.	.	H	α-helix	trans	-62.5	-48.1	175.3	-59.3	172	0	0	0	111.4	Y459 F460 S475 A476 F477	Y459-I473 HydrophobicContact CD1-CD1 4.19Å; Y459-I473 HydrophobicContact CD1-CG1 3.58Å; Y459-I473 HydrophobicContact CE1-CG1 4.21Å; Y459-I473 HydrophobicContact CG-CG1 3.81Å; F460-I473 HydrophobicContact CE2-CD1 4.39Å; I473-S475 VanDerWaalsContact C-N 3.32Å; I473-S475 PolarHBondContact O-N 3.36Å; I473-A476 WeakPolarHBondContact O-CA 3.15Å; I473-A476 WeakPolarHBondContact O-CB 3.47Å; I473-A476 PolarHBondContact O-N 2.82Å; I473-F477 HydrophobicContact CG2-CE1 3.79Å; I473-F477 HydrophobicContact CG2-CZ 4.4Å; I473-F477 WeakPolarHBondContact O-CD1 3.47Å; I473-F477 PolarHBondContact O-N 3.12Å
474	P	98.1	Very high	95.4	Very high	85 Å²	85	59.6 Å²	59.6	55%	0.552	30%	0.3	S	S	*	.	H	α-helix	trans	-63.1	-34.2	177.9	-25	36.3	0	0	0	113.9	A476 F477	P474-A476 VanDerWaalsContact C-N 3.26Å; P474-A476 PolarHBondContact O-N 3.39Å; P474-F477 HydrophobicContact CB-CD2 4.37Å; P474-F477 HydrophobicContact CB-CE2 4.35Å; P474-F477 VanDerWaalsContact O-CB 3.25Å; P474-F477 WeakPolarHBondContact O-CB 3.25Å; P474-F477 WeakPolarHBondContact O-CG 3.44Å; P474-F477 PolarHBondContact O-N 2.99Å; P474-F477 VanDerWaalsContact O-N 3.14Å
475	S	96.3	Very high	95.4	Very high	42 Å²	42	56.1 Å²	56.1	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-66	-32.8	173.6	59.6	0	0	0	0	111.8	S472 I473 F477	S472-S475 PolarHBondContact N-OG 2.77Å; S472-S475 PolarHBondContact O-N 2.7Å; S472-S475 PolarHBondContact O-OG 3Å; S472-S475 WeakPolarHBondContact OG-CB 3.45Å; S472-S475 PolarHBondContact OG-N 3.2Å; S472-S475 VanDerWaalsContact OG-N 3.17Å; S472-S475 PolarHBondContact OG-OG 3.05Å; I473-S475 VanDerWaalsContact C-N 3.32Å; I473-S475 PolarHBondContact O-N 3.36Å; S475-F477 PolarHBondContact O-N 3.42Å
476	A	97.8	Very high	95.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-73.1	-10.1	174.9	0	0	0	0	0	113.5	S455 V458 F470 S472 I473 P474 W478 W479 A480	S455-A476 PolarHBondContact OG-O 2.67Å; V458-A476 HydrophobicContact CG1-CB 4.1Å; F470-A476 HydrophobicContact CD1-CB 3.92Å; F470-A476 HydrophobicContact CE1-CB 4.44Å; S472-A476 PolarHBondContact O-N 3.18Å; S472-A476 VanDerWaalsContact O-N 3.11Å; I473-A476 WeakPolarHBondContact O-CA 3.15Å; I473-A476 WeakPolarHBondContact O-CB 3.47Å; I473-A476 PolarHBondContact O-N 2.82Å; P474-A476 VanDerWaalsContact C-N 3.26Å; P474-A476 PolarHBondContact O-N 3.39Å; A476-W478 PolarHBondContact O-N 3.43Å; A476-W479 PolarHBondContact O-N 3.14Å; A476-A480 PolarHBondContact O-N 3.25Å
477	F	98.3	Very high	95.7	Very high	72 Å²	72	56.8 Å²	56.8	32%	0.316	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-35.9	173.6	-69.1	-10.5	0	0	0	111.8	V451 V452 S455 I473 P474 S475 A480 T481	V451-F477 HydrophobicContact CG1-CB 3.82Å; V451-F477 HydrophobicContact CG1-CD1 3.74Å; V451-F477 HydrophobicContact CG1-CE1 4.47Å; V451-F477 HydrophobicContact CG1-CG 3.85Å; V452-F477 HydrophobicContact CG2-CE1 4.3Å; V452-F477 HydrophobicContact CG2-CZ 4.19Å; S455-F477 VanDerWaalsContact OG-CA 3.26Å; S455-F477 WeakPolarHBondContact OG-CA 3.34Å; S455-F477 WeakPolarHBondContact OG-CD1 3.48Å; S455-F477 PolarHBondContact OG-N 3.14Å; I473-F477 HydrophobicContact CG2-CE1 3.79Å; I473-F477 HydrophobicContact CG2-CZ 4.4Å; I473-F477 WeakPolarHBondContact O-CD1 3.47Å; I473-F477 PolarHBondContact O-N 3.12Å; P474-F477 HydrophobicContact CB-CD2 4.37Å; P474-F477 HydrophobicContact CB-CE2 4.35Å; P474-F477 VanDerWaalsContact O-CB 3.25Å; P474-F477 WeakPolarHBondContact O-CB 3.25Å; P474-F477 WeakPolarHBondContact O-CG 3.44Å; P474-F477 PolarHBondContact O-N 2.99Å; P474-F477 VanDerWaalsContact O-N 3.14Å; S475-F477 PolarHBondContact O-N 3.42Å; F477-A480 PolarHBondContact O-N 3.02Å; F477-T481 VanDerWaalsContact O-CB 3.25Å; F477-T481 WeakPolarHBondContact O-CB 3.29Å; F477-T481 PolarHBondContact O-N 2.96Å; F477-T481 PolarHBondContact O-OG1 3.25Å
478	W	97.8	Very high	96	Very high	120 Å²	120	55.7 Å²	55.7	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-58.3	-54.3	175.6	173.8	-112.7	0	0	0	111	A476 A480 T481 I482 Y489 D491 M492	A476-W478 PolarHBondContact O-N 3.43Å; W478-A480 PolarHBondContact O-N 3.16Å; W478-T481 PolarHBondContact O-N 3.17Å; W478-I482 HydrophobicContact CD2-CG2 4.07Å; W478-I482 HydrophobicContact CE3-CG2 4.13Å; W478-I482 HydrophobicContact CH2-CG2 4Å; W478-I482 HydrophobicContact CZ2-CG2 3.93Å; W478-I482 HydrophobicContact CZ3-CG2 4.09Å; W478-I482 WeakPolarHBondContact O-CG1 3.43Å; W478-I482 PolarHBondContact O-N 2.97Å; W478-Y489 HydrophobicContact CH2-CD2 4.12Å; W478-Y489 AromaticContact CH2-CE2 3.71Å; W478-Y489 HydrophobicContact CH2-CE2 3.71Å; W478-Y489 AromaticContact CZ2-CD2 3.55Å; W478-Y489 HydrophobicContact CZ2-CD2 3.55Å; W478-Y489 AromaticContact CZ2-CE2 3.64Å; W478-Y489 HydrophobicContact CZ2-CE2 3.64Å; W478-D491 PolarHBondContact NE1-OD2 3.07Å; W478-M492 HydrophobicContact CB-SD 4.42Å; W478-M492 VanDerWaalsContact CD1-SD 3.59Å; W478-M492 HydrophobicContact CG-SD 4.41Å
479	W	98	Very high	96.1	Very high	9 Å²	9	55.9 Å²	55.9	3%	0.034	29%	0.292	C	S	.	.	H	α-helix	trans	-55.6	-50.5	177	175.4	79.8	0	0	0	112.3	F454 V458 F470 A476 T481 I482 T483 M492 P494 I502 C506	F454-W479 HydrophobicContact CB-CZ3 4.45Å; V458-W479 HydrophobicContact CB-CE3 4.1Å; V458-W479 HydrophobicContact CB-CH2 3.96Å; V458-W479 HydrophobicContact CB-CZ3 3.57Å; V458-W479 HydrophobicContact CG1-CD2 4.44Å; V458-W479 HydrophobicContact CG1-CE3 3.59Å; V458-W479 HydrophobicContact CG1-CH2 4.37Å; V458-W479 HydrophobicContact CG1-CZ3 3.55Å; V458-W479 HydrophobicContact CG2-CE3 4.24Å; V458-W479 HydrophobicContact CG2-CH2 3.82Å; V458-W479 HydrophobicContact CG2-CZ2 4.22Å; V458-W479 HydrophobicContact CG2-CZ3 3.85Å; F470-W479 HydrophobicContact CE1-CB 4.12Å; F470-W479 HydrophobicContact CE1-CD2 4.01Å; F470-W479 HydrophobicContact CE1-CE3 4.33Å; F470-W479 AromaticContact CE1-CG 3.91Å; F470-W479 HydrophobicContact CE1-CG 3.91Å; F470-W479 HydrophobicContact CZ-CD2 4.25Å; F470-W479 HydrophobicContact CZ-CG 4.11Å; A476-W479 PolarHBondContact O-N 3.14Å; W479-T481 VanDerWaalsContact C-N 3.33Å; W479-T481 PolarHBondContact O-N 3.06Å; W479-I482 VanDerWaalsContact O-CG1 3.23Å; W479-I482 WeakPolarHBondContact O-CG1 3.11Å; W479-I482 PolarHBondContact O-N 2.84Å; W479-T483 WeakPolarHBondContact O-CB 3.38Å; W479-T483 PolarHBondContact O-N 2.94Å; W479-T483 PolarHBondContact O-OG1 3.17Å; W479-M492 HydrophobicContact CB-CB 4.15Å; W479-M492 HydrophobicContact CB-CE 4.45Å; W479-M492 HydrophobicContact CB-SD 4.2Å; W479-M492 HydrophobicContact CG-CB 4.39Å; W479-P494 HydrophobicContact CZ2-CG 4.08Å; W479-I502 HydrophobicContact CH2-CG2 4.48Å; W479-C506 HydrophobicContact CH2-CB 4.43Å
480	A	98.4	Very high	96.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.4	-37.2	-179.2	0	0	0	0	0	112.1	V451 F454 S455 A476 F477 W478 T483 M484	V451-A480 HydrophobicContact CB-CB 4.48Å; V451-A480 HydrophobicContact CG1-CB 4.36Å; V451-A480 HydrophobicContact CG2-CB 4.45Å; F454-A480 HydrophobicContact CB-CB 4.3Å; S455-A480 WeakPolarHBondContact OG-CB 3.41Å; A476-A480 PolarHBondContact O-N 3.25Å; F477-A480 PolarHBondContact O-N 3.02Å; W478-A480 PolarHBondContact O-N 3.16Å; A480-T483 PolarHBondContact O-N 2.78Å; A480-M484 VanDerWaalsContact O-CB 3.26Å; A480-M484 WeakPolarHBondContact O-CB 3.25Å; A480-M484 VanDerWaalsContact O-CG 3.27Å; A480-M484 WeakPolarHBondContact O-CG 3.37Å; A480-M484 PolarHBondContact O-N 3.43Å
481	T	97.3	Very high	96	Very high	53 Å²	53	59.3 Å²	59.3	33%	0.325	32%	0.321	S	S	.	.	H	α-helix	trans	-63.3	-48.9	177.9	-57.5	0	0	0	0	110.9	V451 F477 W478 W479 T485	V451-T481 WeakPolarHBondContact CG2-OG1 3.05Å; F477-T481 VanDerWaalsContact O-CB 3.25Å; F477-T481 WeakPolarHBondContact O-CB 3.29Å; F477-T481 PolarHBondContact O-N 2.96Å; F477-T481 PolarHBondContact O-OG1 3.25Å; W478-T481 PolarHBondContact O-N 3.17Å; W479-T481 VanDerWaalsContact C-N 3.33Å; W479-T481 PolarHBondContact O-N 3.06Å; T481-T485 WeakPolarHBondContact O-CB 3.3Å; T481-T485 WeakPolarHBondContact O-CG2 3.23Å; T481-T485 PolarHBondContact O-N 2.73Å; T481-T485 PolarHBondContact O-OG1 3.01Å
482	I	97.3	Very high	96	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.036	29%	0.293	C	S	.	.	H	α-helix	trans	-70.3	-30.8	-180	67.1	179.3	0	0	0	112.3	W478 W479 T485 T486 V487 G488 Y489	W478-I482 HydrophobicContact CD2-CG2 4.07Å; W478-I482 HydrophobicContact CE3-CG2 4.13Å; W478-I482 HydrophobicContact CH2-CG2 4Å; W478-I482 HydrophobicContact CZ2-CG2 3.93Å; W478-I482 HydrophobicContact CZ3-CG2 4.09Å; W478-I482 WeakPolarHBondContact O-CG1 3.43Å; W478-I482 PolarHBondContact O-N 2.97Å; W479-I482 VanDerWaalsContact O-CG1 3.23Å; W479-I482 WeakPolarHBondContact O-CG1 3.11Å; W479-I482 PolarHBondContact O-N 2.84Å; I482-T485 WeakPolarHBondContact CA-OG1 3.35Å; I482-T485 PolarHBondContact O-OG1 3.26Å; I482-T486 PolarHBondContact O-N 3Å; I482-V487 HydrophobicContact CB-CB 4.46Å; I482-V487 PolarHBondContact O-N 3.06Å; I482-G488 PolarHBondContact O-N 2.91Å; I482-G488 VanDerWaalsContact O-N 3.09Å; I482-Y489 HydrophobicContact CD1-CD2 4.21Å; I482-Y489 HydrophobicContact CG2-CD2 3.99Å; I482-Y489 HydrophobicContact CG2-CE2 4.05Å
483	T	97.1	Very high	95.9	Very high	22 Å²	22	53.7 Å²	53.7	14%	0.135	30%	0.301	C	S	.	.	H	α-helix	trans	-73.8	-44.7	175.1	-59.5	0	0	0	0	111.6	W479 A480 T485 T486 C506 C507	W479-T483 WeakPolarHBondContact O-CB 3.38Å; W479-T483 PolarHBondContact O-N 2.94Å; W479-T483 PolarHBondContact O-OG1 3.17Å; A480-T483 PolarHBondContact O-N 2.78Å; T483-T485 VanDerWaalsContact C-N 3.32Å; T483-T485 PolarHBondContact O-N 3.41Å; T483-T486 WeakPolarHBondContact O-CA 3.46Å; T483-T486 PolarHBondContact O-N 3.03Å; T483-C506 HydrophobicContact CG2-CB 4.12Å; T483-C507 HydrophobicContact CG2-CB 4.23Å
484	M	95.8	Very high	95.8	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-65.7	-34.4	177.5	-76.3	-168.3	71.8	0	0	112.8	G450 V451 F454 A480 T486 G510 V513	G450-M484 VanDerWaalsContact CA-SD 3.54Å; V451-M484 HydrophobicContact CG2-SD 4.11Å; V451-M484 PolarHBondContact N-SD 2.99Å; V451-M484 VanDerWaalsContact N-SD 3.42Å; F454-M484 HydrophobicContact CD2-SD 4.31Å; A480-M484 VanDerWaalsContact O-CB 3.26Å; A480-M484 WeakPolarHBondContact O-CB 3.25Å; A480-M484 VanDerWaalsContact O-CG 3.27Å; A480-M484 WeakPolarHBondContact O-CG 3.37Å; A480-M484 PolarHBondContact O-N 3.43Å; M484-T486 PolarHBondContact O-N 3.35Å; M484-G510 CarbonylContact O-C 3.5Å; M484-G510 VanDerWaalsContact O-CA 3.27Å; M484-G510 WeakPolarHBondContact O-CA 3.47Å; M484-V513 HydrophobicContact CE-CG1 4.5Å; M484-V513 HydrophobicContact CE-CG2 4.41Å
485	T	94.2	Very high	95.7	Very high	56 Å²	56	55.4 Å²	55.4	34%	0.344	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	4.1	173.5	55.2	0	0	0	0	113	T481 I482 T483 V487	T481-T485 WeakPolarHBondContact O-CB 3.3Å; T481-T485 WeakPolarHBondContact O-CG2 3.23Å; T481-T485 PolarHBondContact O-N 2.73Å; T481-T485 PolarHBondContact O-OG1 3.01Å; I482-T485 WeakPolarHBondContact CA-OG1 3.35Å; I482-T485 PolarHBondContact O-OG1 3.26Å; T483-T485 VanDerWaalsContact C-N 3.32Å; T483-T485 PolarHBondContact O-N 3.41Å; T485-V487 PolarHBondContact O-N 3.26Å
486	T	94.6	Very high	95.7	Very high	86 Å²	86	54 Å²	54	53%	0.528	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	17.9	177.7	68.2	0	0	0	0	115.3	I482 T483 M484 V511	I482-T486 PolarHBondContact O-N 3Å; T483-T486 WeakPolarHBondContact O-CA 3.46Å; T483-T486 PolarHBondContact O-N 3.03Å; M484-T486 PolarHBondContact O-N 3.35Å; T486-V511 HydrophobicContact CG2-CG2 3.53Å
487	V	95.1	Very high	95.6	Very high	79 Å²	79	60.6 Å²	60.6	48%	0.479	32%	0.319	S	S	.	.			trans	-77.2	-57	177.9	179.7	0	0	0	0	110.8	I482 T485 Y489	I482-V487 HydrophobicContact CB-CB 4.46Å; I482-V487 PolarHBondContact O-N 3.06Å; T485-V487 PolarHBondContact O-N 3.26Å; V487-Y489 HydrophobicContact CG1-CD1 4.16Å; V487-Y489 HydrophobicContact CG1-CD2 4.26Å; V487-Y489 HydrophobicContact CG1-CE1 3.82Å; V487-Y489 HydrophobicContact CG1-CE2 3.93Å; V487-Y489 HydrophobicContact CG1-CG 4.37Å
488	G	92.6	Very high	95.5	Very high	43 Å²	43	62.2 Å²	62.2	44%	0.443	33%	0.33	S	S	.	.			trans	53.3	65.6	175.4	0	0	0	0	0	115.9	I482 G490	I482-G488 PolarHBondContact O-N 2.91Å; I482-G488 VanDerWaalsContact O-N 3.09Å; G488-G490 PolarHBondContact O-N 3.01Å
489	Y	94	Very high	95.5	Very high	160 Å²	160	56.5 Å²	56.5	63%	0.627	31%	0.309	S	S	*	.			trans	-54.3	-24.9	179.3	-67.5	-63.8	0	0	0	115.2	W478 I482 V487 D491	W478-Y489 HydrophobicContact CH2-CD2 4.12Å; W478-Y489 AromaticContact CH2-CE2 3.71Å; W478-Y489 HydrophobicContact CH2-CE2 3.71Å; W478-Y489 AromaticContact CZ2-CD2 3.55Å; W478-Y489 HydrophobicContact CZ2-CD2 3.55Å; W478-Y489 AromaticContact CZ2-CE2 3.64Å; W478-Y489 HydrophobicContact CZ2-CE2 3.64Å; I482-Y489 HydrophobicContact CD1-CD2 4.21Å; I482-Y489 HydrophobicContact CG2-CD2 3.99Å; I482-Y489 HydrophobicContact CG2-CE2 4.05Å; V487-Y489 HydrophobicContact CG1-CD1 4.16Å; V487-Y489 HydrophobicContact CG1-CD2 4.26Å; V487-Y489 HydrophobicContact CG1-CE1 3.82Å; V487-Y489 HydrophobicContact CG1-CE2 3.93Å; V487-Y489 HydrophobicContact CG1-CG 4.37Å; Y489-D491 VanDerWaalsContact C-N 3.35Å
490	G	91.9	Very high	95.5	Very high	44 Å²	44	62 Å²	62	45%	0.454	33%	0.333	S	S	.	.	S	Bend	trans	78.3	18.8	-179.4	0	0	0	0	0	113.9	G488 L493	G488-G490 PolarHBondContact O-N 3.01Å; G490-L493 VanDerWaalsContact C-CD1 3.49Å; G490-L493 WeakPolarHBondContact O-CD1 3.35Å
491	D	93.5	Very high	95.5	Very high	81 Å²	81	67.4 Å²	67.4	43%	0.433	36%	0.361	S	S	.	.	S	Bend	trans	-80.4	-25.3	169.9	60.5	-30.5	0	0	0	112.4	W478 Y489	W478-D491 PolarHBondContact NE1-OD2 3.07Å; Y489-D491 VanDerWaalsContact C-N 3.35Å
492	M	93.5	Very high	95.5	Very high	25 Å²	25	66 Å²	66	12%	0.123	35%	0.351	C	S	.	.	S	Bend	trans	-128.8	125.6	172.6	-60	-176.7	74.4	0	0	109.7	M469 F470 W478 W479	M469-M492 HydrophobicContact CB-CE 4.45Å; M469-M492 WeakPolarHBondContact O-CE 3.25Å; F470-M492 HydrophobicContact CD1-CE 4.36Å; F470-M492 HydrophobicContact CE1-CE 4.36Å; W478-M492 HydrophobicContact CB-SD 4.42Å; W478-M492 VanDerWaalsContact CD1-SD 3.59Å; W478-M492 HydrophobicContact CG-SD 4.41Å; W479-M492 HydrophobicContact CB-CB 4.15Å; W479-M492 HydrophobicContact CB-CE 4.45Å; W479-M492 HydrophobicContact CB-SD 4.2Å; W479-M492 HydrophobicContact CG-CB 4.39Å
493	L	95.1	Very high	95.5	Very high	92 Å²	92	66.1 Å²	66.1	48%	0.482	36%	0.355	S	S	.	.			trans	-138.3	139.6	177.9	-65	94.8	0	0	0	111.8	N466 G490	N466-L493 PolarHBondContact ND2-O 2.81Å; G490-L493 VanDerWaalsContact C-CD1 3.49Å; G490-L493 WeakPolarHBondContact O-CD1 3.35Å
494	P	96.2	Very high	95.5	Very high	19 Å²	19	67.6 Å²	67.6	12%	0.123	37%	0.369	C	S	.	.			trans	-69	132.9	169.6	29.1	-33.2	0	0	0	110.8	V458 E462 W479 G499 K500	V458-P494 HydrophobicContact CG2-CB 4.26Å; E462-P494 HydrophobicContact CG-CB 4.21Å; E462-P494 WeakPolarHBondContact OE1-CA 3.37Å; E462-P494 WeakPolarHBondContact OE1-CB 3.42Å; W479-P494 HydrophobicContact CZ2-CG 4.08Å; P494-G499 WeakPolarHBondContact CB-O 3.24Å; P494-G499 WeakPolarHBondContact CG-O 3.37Å; P494-K500 HydrophobicContact CG-CG 4.36Å
495	R	94.4	Very high	95.6	Very high	153 Å²	153	70.8 Å²	70.8	58%	0.577	39%	0.391	S	S	*	.			trans	-97.2	-36.8	179.1	-68.3	-174.4	176.6	-163.5	0.8	111.7	E462 K500	E462-R495 VanDerWaalsContact CD-N 3.31Å; E462-R495 PolarHBondContact OE1-N 3.44Å; E462-R495 VanDerWaalsContact OE1-N 3.08Å; E462-R495 PolarHBondContact OE2-N 2.96Å; R495-K500 WeakPolarHBondContact O-CE 3.46Å
496	T	96.6	Very high	95.8	Very high	11 Å²	11	68.1 Å²	68.1	7%	0.067	38%	0.375	C	S	.	.	S	Bend	trans	-68.1	155.1	-178.3	71.4	0	0	0	0	111.2	A461 E462 E465 L498 G499 K500	A461-T496 WeakPolarHBondContact O-CG2 3.26Å; E462-T496 VanDerWaalsContact OE1-CB 3.28Å; E462-T496 WeakPolarHBondContact OE1-CB 3.48Å; E462-T496 WeakPolarHBondContact OE1-CG2 3.21Å; E462-T496 PolarHBondContact OE1-N 3.26Å; E462-T496 PolarHBondContact OE1-OG1 3.04Å; E465-T496 HydrophobicContact CB-CG2 3.84Å; E465-T496 HydrophobicContact CG-CG2 4.08Å; T496-L498 VanDerWaalsContact C-N 3.29Å; T496-L498 PolarHBondContact O-N 3.02Å; T496-G499 PolarHBondContact O-N 2.59Å; T496-G499 WeakPolarHBondContact OG1-CA 3.02Å; T496-G499 PolarHBondContact OG1-N 2.87Å; T496-K500 WeakPolarHBondContact O-CG 3.33Å; T496-K500 PolarHBondContact O-N 2.85Å
497	I	96.4	Very high	95.9	Very high	140 Å²	140	66.6 Å²	66.6	72%	0.718	37%	0.367	S	S	*	.	H	α-helix	trans	-61.6	-43.3	176	-60	171.6	0	0	0	109.9	K500 L501	I497-K500 PolarHBondContact O-N 3.08Å; I497-L501 HydrophobicContact CG2-CD1 4.44Å; I497-L501 WeakPolarHBondContact O-CG 3.39Å; I497-L501 PolarHBondContact O-N 3.35Å
498	L	96.8	Very high	96	Very high	105 Å²	105	68.2 Å²	68.2	55%	0.55	37%	0.371	S	S	.	.	H	α-helix	trans	-61.5	-47.3	177.8	-173.2	75.7	0	0	0	111.3	A461 T496 K500 L501 I502	A461-L498 HydrophobicContact CB-CB 4.29Å; A461-L498 HydrophobicContact CB-CD2 3.61Å; A461-L498 HydrophobicContact CB-CG 4.01Å; T496-L498 VanDerWaalsContact C-N 3.29Å; T496-L498 PolarHBondContact O-N 3.02Å; L498-K500 VanDerWaalsContact C-N 3.31Å; L498-K500 PolarHBondContact O-N 3.45Å; L498-L501 PolarHBondContact O-N 3.32Å; L498-I502 HydrophobicContact CD2-CD1 4.38Å; L498-I502 HydrophobicContact CG-CD1 3.94Å; L498-I502 VanDerWaalsContact O-CG1 3.3Å; L498-I502 WeakPolarHBondContact O-CG1 3.49Å; L498-I502 PolarHBondContact O-N 2.85Å
499	G	97.5	Very high	96.2	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60.8	-38.3	177.1	0	0	0	0	0	112.6	P494 T496 I502 G503	P494-G499 WeakPolarHBondContact CB-O 3.24Å; P494-G499 WeakPolarHBondContact CG-O 3.37Å; T496-G499 PolarHBondContact O-N 2.59Å; T496-G499 WeakPolarHBondContact OG1-CA 3.02Å; T496-G499 PolarHBondContact OG1-N 2.87Å; G499-I502 PolarHBondContact O-N 3.33Å; G499-G503 PolarHBondContact O-N 2.89Å
500	K	97.4	Very high	96.3	Very high	125 Å²	125	60.5 Å²	60.5	54%	0.543	33%	0.334	S	S	.	.	H	α-helix	trans	-66.4	-39.9	174.4	-72.5	174.4	-178	174.3	0	112.6	P494 R495 T496 I497 L498 G503 A504	P494-K500 HydrophobicContact CG-CG 4.36Å; R495-K500 WeakPolarHBondContact O-CE 3.46Å; T496-K500 WeakPolarHBondContact O-CG 3.33Å; T496-K500 PolarHBondContact O-N 2.85Å; I497-K500 PolarHBondContact O-N 3.08Å; L498-K500 VanDerWaalsContact C-N 3.31Å; L498-K500 PolarHBondContact O-N 3.45Å; K500-G503 PolarHBondContact O-N 2.91Å; K500-A504 WeakPolarHBondContact O-CB 3.18Å; K500-A504 PolarHBondContact O-N 3.23Å
501	L	98.2	Very high	96.5	Very high	114 Å²	114	62 Å²	62	60%	0.597	33%	0.334	S	S	*	.	H	α-helix	trans	-63.8	-42.8	173.3	-70.3	173.3	0	0	0	111.5	I497 L498 G503 A504 C505	I497-L501 HydrophobicContact CG2-CD1 4.44Å; I497-L501 WeakPolarHBondContact O-CG 3.39Å; I497-L501 PolarHBondContact O-N 3.35Å; L498-L501 PolarHBondContact O-N 3.32Å; L501-G503 VanDerWaalsContact C-N 3.35Å; L501-A504 PolarHBondContact O-N 3.14Å; L501-C505 WeakPolarHBondContact O-CB 3.28Å; L501-C505 PolarHBondContact O-N 3.42Å
502	I	98.4	Very high	96.5	Very high	22 Å²	22	63.2 Å²	63.2	11%	0.113	34%	0.34	C	S	.	.	H	α-helix	trans	-61.7	-43.9	174	-67.7	161.3	0	0	0	110.4	F454 L457 V458 A461 W479 L498 G499 C505 C506	F454-I502 HydrophobicContact CD1-CG2 4.1Å; L457-I502 HydrophobicContact CB-CD1 4.05Å; L457-I502 HydrophobicContact CB-CG1 4.43Å; L457-I502 HydrophobicContact CB-CG2 3.96Å; V458-I502 HydrophobicContact CB-CG2 4.34Å; A461-I502 HydrophobicContact CB-CD1 3.63Å; W479-I502 HydrophobicContact CH2-CG2 4.48Å; L498-I502 HydrophobicContact CD2-CD1 4.38Å; L498-I502 HydrophobicContact CG-CD1 3.94Å; L498-I502 VanDerWaalsContact O-CG1 3.3Å; L498-I502 WeakPolarHBondContact O-CG1 3.49Å; L498-I502 PolarHBondContact O-N 2.85Å; G499-I502 PolarHBondContact O-N 3.33Å; I502-C505 PolarHBondContact O-N 3.15Å; I502-C506 VanDerWaalsContact O-CB 3.24Å; I502-C506 WeakPolarHBondContact O-CB 3.37Å; I502-C506 PolarHBondContact O-N 3.38Å
503	G	97.2	Very high	96.6	Very high	11 Å²	11	62.5 Å²	62.5	11%	0.113	34%	0.337	C	S	.	.	H	α-helix	trans	-61.4	-42.3	175.9	0	0	0	0	0	113	G499 K500 L501 C506 C507	G499-G503 PolarHBondContact O-N 2.89Å; K500-G503 PolarHBondContact O-N 2.91Å; L501-G503 VanDerWaalsContact C-N 3.35Å; G503-C506 PolarHBondContact O-N 3.03Å; G503-C507 WeakPolarHBondContact O-CB 3.42Å; G503-C507 PolarHBondContact O-N 2.99Å
504	A	96.7	Very high	96.4	Very high	52 Å²	52	60.5 Å²	60.5	43%	0.43	33%	0.328	S	S	.	.	H	α-helix	trans	-62.4	-45.4	174.5	0	0	0	0	0	111.4	K500 L501 C507 I508	K500-A504 WeakPolarHBondContact O-CB 3.18Å; K500-A504 PolarHBondContact O-N 3.23Å; L501-A504 PolarHBondContact O-N 3.14Å; A504-C507 PolarHBondContact O-N 3.37Å; A504-I508 WeakPolarHBondContact O-CG1 3.5Å; A504-I508 PolarHBondContact O-N 2.85Å; A504-I508 VanDerWaalsContact O-N 3.09Å
505	C	97.5	Very high	96.3	Very high	69 Å²	69	61.8 Å²	61.8	47%	0.466	34%	0.341	S	S	.	.	H	α-helix	trans	-62.4	-43.4	175.4	-173.6	0	0	0	0	112.1	F454 L501 I502 C507 I508 C509	F454-C505 HydrophobicContact CE1-CB 4.3Å; L501-C505 WeakPolarHBondContact O-CB 3.28Å; L501-C505 PolarHBondContact O-N 3.42Å; I502-C505 PolarHBondContact O-N 3.15Å; C505-C507 PolarHBondContact O-N 2.9Å; C505-I508 PolarHBondContact O-N 3.43Å; C505-C509 VanDerWaalsContact O-CB 3.27Å; C505-C509 WeakPolarHBondContact O-CB 3.46Å; C505-C509 PolarHBondContact O-N 3.47Å
506	C	98.1	Very high	96.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-59.1	-46.2	176.5	-178.8	0	0	0	0	111.7	F454 W479 T483 I502 G503 C509 G510	F454-C506 HydrophobicContact CB-CB 4.15Å; F454-C506 HydrophobicContact CD1-CB 3.7Å; F454-C506 HydrophobicContact CD2-CB 3.94Å; F454-C506 HydrophobicContact CE1-CB 4.02Å; F454-C506 HydrophobicContact CE2-CB 4.26Å; F454-C506 HydrophobicContact CG-CB 3.66Å; F454-C506 HydrophobicContact CZ-CB 4.3Å; W479-C506 HydrophobicContact CH2-CB 4.43Å; T483-C506 HydrophobicContact CG2-CB 4.12Å; I502-C506 VanDerWaalsContact O-CB 3.24Å; I502-C506 WeakPolarHBondContact O-CB 3.37Å; I502-C506 PolarHBondContact O-N 3.38Å; G503-C506 PolarHBondContact O-N 3.03Å; C506-C509 PolarHBondContact O-N 2.71Å; C506-G510 PolarHBondContact O-N 2.92Å
507	C	96.7	Very high	95.8	Very high	53 Å²	53	60.5 Å²	60.5	36%	0.358	35%	0.345	S	S	.	.	H	α-helix	trans	-61.8	-48.7	177.5	-174.6	0	0	0	0	111.8	T483 G503 A504 C505 C509 G510 V511	T483-C507 HydrophobicContact CG2-CB 4.23Å; G503-C507 WeakPolarHBondContact O-CB 3.42Å; G503-C507 PolarHBondContact O-N 2.99Å; A504-C507 PolarHBondContact O-N 3.37Å; C505-C507 PolarHBondContact O-N 2.9Å; C507-C509 VanDerWaalsContact C-N 3.34Å; C507-C509 PolarHBondContact O-N 3.17Å; C507-G510 PolarHBondContact O-N 3.33Å; C507-V511 WeakPolarHBondContact O-CG2 3.44Å; C507-V511 PolarHBondContact O-N 3.23Å
508	I	96.5	Very high	95.5	Very high	113 Å²	113	58 Å²	58	58%	0.579	33%	0.332	S	S	*	.	H	α-helix	trans	-60.3	-45.9	177.3	-66.7	166.9	0	0	0	110.6	A504 C505 V511 L512	A504-I508 WeakPolarHBondContact O-CG1 3.5Å; A504-I508 PolarHBondContact O-N 2.85Å; A504-I508 VanDerWaalsContact O-N 3.09Å; C505-I508 PolarHBondContact O-N 3.43Å; I508-V511 PolarHBondContact O-N 2.85Å; I508-L512 HydrophobicContact CG2-CD1 4.19Å; I508-L512 WeakPolarHBondContact O-CG 3.4Å; I508-L512 PolarHBondContact O-N 3.21Å; I508-L512 VanDerWaalsContact O-N 3.13Å
509	C	96.7	Very high	95.4	Very high	41 Å²	41	57 Å²	57	28%	0.277	33%	0.332	S	S	.	.	H	α-helix	trans	-60.6	-47.3	177.2	-173.4	0	0	0	0	111.1	F454 C505 C506 C507 V511 L512 V513	F454-C509 HydrophobicContact CE2-CB 3.74Å; F454-C509 HydrophobicContact CZ-CB 3.77Å; C505-C509 VanDerWaalsContact O-CB 3.27Å; C505-C509 WeakPolarHBondContact O-CB 3.46Å; C505-C509 PolarHBondContact O-N 3.47Å; C506-C509 PolarHBondContact O-N 2.71Å; C507-C509 VanDerWaalsContact C-N 3.34Å; C507-C509 PolarHBondContact O-N 3.17Å; C509-V511 PolarHBondContact O-N 3.45Å; C509-L512 PolarHBondContact O-N 2.94Å; C509-V513 WeakPolarHBondContact O-CB 3.23Å; C509-V513 WeakPolarHBondContact O-CG2 3.42Å; C509-V513 PolarHBondContact O-N 3.09Å
510	G	96.7	Very high	95.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-55.9	-47.6	177.7	0	0	0	0	0	113.3	M484 C506 C507 L512 V513 V514	M484-G510 CarbonylContact O-C 3.5Å; M484-G510 VanDerWaalsContact O-CA 3.27Å; M484-G510 WeakPolarHBondContact O-CA 3.47Å; C506-G510 PolarHBondContact O-N 2.92Å; C507-G510 PolarHBondContact O-N 3.33Å; G510-L512 PolarHBondContact O-N 3.17Å; G510-V513 PolarHBondContact O-N 3.12Å; G510-V514 WeakPolarHBondContact O-CG2 3.01Å; G510-V514 PolarHBondContact O-N 2.95Å
511	V	96	Very high	94.9	Very high	76 Å²	76	56.1 Å²	56.1	46%	0.461	33%	0.332	S	S	.	.	H	α-helix	trans	-58.5	-46.5	175.9	173.4	0	0	0	0	111.3	T486 C507 I508 C509 A515	T486-V511 HydrophobicContact CG2-CG2 3.53Å; C507-V511 WeakPolarHBondContact O-CG2 3.44Å; C507-V511 PolarHBondContact O-N 3.23Å; I508-V511 PolarHBondContact O-N 2.85Å; C509-V511 PolarHBondContact O-N 3.45Å; V511-A515 WeakPolarHBondContact O-CB 3.39Å; V511-A515 PolarHBondContact O-N 3.11Å
512	L	94.7	Very high	94.7	Very high	107 Å²	107	54.8 Å²	54.8	56%	0.56	33%	0.328	S	S	*	.	H	α-helix	trans	-63.7	-46.7	179	-68.8	173.2	0	0	0	111.7	I508 C509 G510 V514 A515 L516	I508-L512 HydrophobicContact CG2-CD1 4.19Å; I508-L512 WeakPolarHBondContact O-CG 3.4Å; I508-L512 PolarHBondContact O-N 3.21Å; I508-L512 VanDerWaalsContact O-N 3.13Å; C509-L512 PolarHBondContact O-N 2.94Å; G510-L512 PolarHBondContact O-N 3.17Å; L512-V514 PolarHBondContact O-N 3.16Å; L512-A515 PolarHBondContact O-N 3.4Å; L512-L516 VanDerWaalsContact O-CG 3.3Å; L512-L516 WeakPolarHBondContact O-CG 3.46Å; L512-L516 PolarHBondContact O-N 3.48Å
513	V	94.5	Very high	94.4	Very high	9 Å²	9	58 Å²	58	6%	0.055	35%	0.346	C	S	.	.	H	α-helix	trans	-58.4	-47.5	179.9	165.3	0	0	0	0	111.4	L443 L446 I447 M484 C509 G510 P517	L443-V513 HydrophobicContact CD1-CG1 3.84Å; L443-V513 WeakPolarHBondContact CD1-O 3.36Å; L446-V513 HydrophobicContact CB-CG1 4.02Å; L446-V513 HydrophobicContact CD1-CG2 4.21Å; L446-V513 HydrophobicContact CD2-CB 4.06Å; L446-V513 HydrophobicContact CD2-CG1 3.73Å; L446-V513 HydrophobicContact CD2-CG2 3.62Å; L446-V513 HydrophobicContact CG-CB 4.16Å; L446-V513 HydrophobicContact CG-CG1 3.59Å; L446-V513 HydrophobicContact CG-CG2 3.56Å; I447-V513 HydrophobicContact CG1-CG1 3.88Å; M484-V513 HydrophobicContact CE-CG1 4.5Å; M484-V513 HydrophobicContact CE-CG2 4.41Å; C509-V513 WeakPolarHBondContact O-CB 3.23Å; C509-V513 WeakPolarHBondContact O-CG2 3.42Å; C509-V513 PolarHBondContact O-N 3.09Å; G510-V513 PolarHBondContact O-N 3.12Å; V513-P517 VanDerWaalsContact O-CD 3.25Å; V513-P517 WeakPolarHBondContact O-CD 3.5Å
514	V	91.4	Very high	94.1	Very high	51 Å²	51	58.2 Å²	58.2	31%	0.309	34%	0.344	S	S	.	.	H	α-helix	trans	-73.3	-32.8	-179.1	175.4	0	0	0	0	111.5	I447 G510 L512 P517 I518	I447-V514 HydrophobicContact CD1-CG2 4.43Å; G510-V514 WeakPolarHBondContact O-CG2 3.01Å; G510-V514 PolarHBondContact O-N 2.95Å; L512-V514 PolarHBondContact O-N 3.16Å; V514-P517 WeakPolarHBondContact O-CD 3.37Å; V514-I518 HydrophobicContact CG1-CD1 4.35Å; V514-I518 WeakPolarHBondContact O-CD1 3.49Å; V514-I518 VanDerWaalsContact O-CG1 3.3Å; V514-I518 WeakPolarHBondContact O-CG1 3.39Å
515	A	93.8	Very high	93.9	Very high	46 Å²	46	58.9 Å²	58.9	38%	0.38	34%	0.338	S	S	.	.	H	α-helix	trans	-69.8	-34.1	-178.6	0	0	0	0	0	114	V511 L512 I518 P519	V511-A515 WeakPolarHBondContact O-CB 3.39Å; V511-A515 PolarHBondContact O-N 3.11Å; L512-A515 PolarHBondContact O-N 3.4Å; A515-I518 PolarHBondContact O-N 3.47Å; A515-P519 VanDerWaalsContact O-CD 3.29Å; A515-P519 WeakPolarHBondContact O-CD 3.41Å
516	L	89.9	Confident	93.7	Very high	124 Å²	124	57.3 Å²	57.3	65%	0.649	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-42.4	-172.7	-71.9	170	0	0	0	114.6	L512 P519	L512-L516 VanDerWaalsContact O-CG 3.3Å; L512-L516 WeakPolarHBondContact O-CG 3.46Å; L512-L516 PolarHBondContact O-N 3.48Å; L516-P519 WeakPolarHBondContact O-CD 3.49Å
517	P	89.8	Confident	93.3	Very high	13 Å²	13	59 Å²	59	8%	0.084	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-15.2	-179.3	-17.5	34.5	0	0	0	114.5	L443 V513 V514 I520 I521	L443-P517 HydrophobicContact CB-CG 4.08Å; L443-P517 HydrophobicContact CD1-CG 4.14Å; L443-P517 HydrophobicContact CD2-CG 4.43Å; L443-P517 HydrophobicContact CG-CG 4.43Å; V513-P517 VanDerWaalsContact O-CD 3.25Å; V513-P517 WeakPolarHBondContact O-CD 3.5Å; V514-P517 WeakPolarHBondContact O-CD 3.37Å; P517-I520 PolarHBondContact O-N 2.87Å; P517-I520 VanDerWaalsContact O-N 3.14Å; P517-I521 HydrophobicContact CB-CD1 4.31Å; P517-I521 WeakPolarHBondContact O-CG1 3.41Å; P517-I521 PolarHBondContact O-N 3.27Å
518	I	91.8	Very high	93	Very high	87 Å²	87	57.7 Å²	57.7	45%	0.446	33%	0.327	S	S	.	.	H	α-helix	trans	-56.4	-48.4	-175.8	-67.8	171.6	0	0	0	111.7	V514 A515 I520 I521 V522	V514-I518 HydrophobicContact CG1-CD1 4.35Å; V514-I518 WeakPolarHBondContact O-CD1 3.49Å; V514-I518 VanDerWaalsContact O-CG1 3.3Å; V514-I518 WeakPolarHBondContact O-CG1 3.39Å; A515-I518 PolarHBondContact O-N 3.47Å; I518-I520 VanDerWaalsContact C-N 3.28Å; I518-I520 PolarHBondContact O-N 2.87Å; I518-I521 PolarHBondContact O-N 3.29Å; I518-V522 HydrophobicContact CG2-CG2 4.07Å; I518-V522 WeakPolarHBondContact O-CB 3.35Å; I518-V522 VanDerWaalsContact O-CG2 3.28Å; I518-V522 WeakPolarHBondContact O-CG2 3.44Å; I518-V522 PolarHBondContact O-N 2.95Å
519	P	94.8	Very high	92.7	Very high	85 Å²	85	56.4 Å²	56.4	55%	0.552	32%	0.315	S	S	*	.	H	α-helix	trans	-59.2	-37.3	178.1	-25.9	35.5	0	0	0	113.6	A515 L516 V522 N523	A515-P519 VanDerWaalsContact O-CD 3.29Å; A515-P519 WeakPolarHBondContact O-CD 3.41Å; L516-P519 WeakPolarHBondContact O-CD 3.49Å; P519-V522 PolarHBondContact O-N 3.24Å; P519-N523 WeakPolarHBondContact O-CB 3.38Å; P519-N523 PolarHBondContact O-N 3.28Å
520	I	92.3	Very high	92.4	Very high	66 Å²	66	60.6 Å²	60.6	34%	0.338	33%	0.329	S	S	.	.	H	α-helix	trans	-67.7	-44.7	179.2	-55.2	170.6	0	0	0	110	E439 P517 I518 N523 N524	E439-I520 HydrophobicContact CG-CB 4.48Å; E439-I520 HydrophobicContact CG-CD1 4.28Å; E439-I520 HydrophobicContact CG-CG2 3.8Å; P517-I520 PolarHBondContact O-N 2.87Å; P517-I520 VanDerWaalsContact O-N 3.14Å; I518-I520 VanDerWaalsContact C-N 3.28Å; I518-I520 PolarHBondContact O-N 2.87Å; I520-N523 PolarHBondContact O-N 3.48Å; I520-N524 WeakPolarHBondContact O-CB 3.5Å; I520-N524 PolarHBondContact O-N 3.25Å; I520-N524 PolarHBondContact O-ND2 3.46Å
521	I	91.2	Very high	91.9	Very high	40 Å²	40	62.6 Å²	62.6	21%	0.205	34%	0.338	C	S	.	.	H	α-helix	trans	-61.5	-45.2	176.4	-67.1	169	0	0	0	110.5	T432 L440 P517 I518 N524 F525	T432-I521 HydrophobicContact CG2-CG2 3.76Å; T432-I521 WeakPolarHBondContact CG2-O 3.28Å; L440-I521 HydrophobicContact CD2-CD1 3.86Å; P517-I521 HydrophobicContact CB-CD1 4.31Å; P517-I521 WeakPolarHBondContact O-CG1 3.41Å; P517-I521 PolarHBondContact O-N 3.27Å; I518-I521 PolarHBondContact O-N 3.29Å; I521-N524 PolarHBondContact O-N 3.38Å; I521-F525 WeakPolarHBondContact O-CB 3.48Å; I521-F525 PolarHBondContact O-N 2.85Å
522	V	93.4	Very high	91.4	Very high	86 Å²	86	61.7 Å²	61.7	52%	0.521	33%	0.329	S	S	.	.	H	α-helix	trans	-63.9	-41.7	178.4	171.9	0	0	0	0	111.5	I518 P519 F525 A526	I518-V522 HydrophobicContact CG2-CG2 4.07Å; I518-V522 WeakPolarHBondContact O-CB 3.35Å; I518-V522 VanDerWaalsContact O-CG2 3.28Å; I518-V522 WeakPolarHBondContact O-CG2 3.44Å; I518-V522 PolarHBondContact O-N 2.95Å; P519-V522 PolarHBondContact O-N 3.24Å; V522-F525 WeakPolarHBondContact O-CB 3.36Å; V522-F525 PolarHBondContact O-N 3.42Å; V522-A526 PolarHBondContact O-N 3.48Å
523	N	93.2	Very high	91.1	Very high	88 Å²	88	61.6 Å²	61.6	47%	0.471	33%	0.327	S	S	.	.	H	α-helix	trans	-64.9	-42.1	176.6	-172	50.9	0	0	0	111.8	P519 I520 F525 A526 D527	P519-N523 WeakPolarHBondContact O-CB 3.38Å; P519-N523 PolarHBondContact O-N 3.28Å; I520-N523 PolarHBondContact O-N 3.48Å; N523-F525 VanDerWaalsContact C-N 3.29Å; N523-F525 PolarHBondContact O-N 2.86Å; N523-A526 PolarHBondContact O-N 3.24Å; N523-D527 PolarHBondContact O-N 2.85Å
524	N	91.4	Very high	90.7	Very high	16 Å²	16	62.9 Å²	62.9	9%	0.086	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-34.2	175.2	-76	-27.8	0	0	0	112.6	T432 R435 S436 I520 I521 F528	T432-N524 HydrophobicContact CG2-CB 4.26Å; R435-N524 HydrophobicContact CG-CB 4.39Å; R435-N524 PolarHBondContact NE-OD1 3.35Å; S436-N524 PolarHBondContact OG-ND2 3.35Å; I520-N524 WeakPolarHBondContact O-CB 3.5Å; I520-N524 PolarHBondContact O-N 3.25Å; I520-N524 PolarHBondContact O-ND2 3.46Å; I521-N524 PolarHBondContact O-N 3.38Å; N524-F528 PolarHBondContact O-N 3.31Å
525	F	92.2	Very high	90.4	Very high	66 Å²	66	64.4 Å²	64.4	29%	0.289	33%	0.331	S	S	.	.	H	α-helix	trans	-67.8	-46.6	172.6	-172.6	-96.7	0	0	0	111.3	A428 L429 T432 I521 V522 N523 D527 F528 Y529	A428-F525 HydrophobicContact CB-CD2 3.98Å; A428-F525 HydrophobicContact CB-CE2 3.44Å; A428-F525 VanDerWaalsContact CB-CE2 3.44Å; A428-F525 HydrophobicContact CB-CZ 4.09Å; L429-F525 HydrophobicContact CD2-CE2 4.37Å; T432-F525 HydrophobicContact CG2-CB 4.15Å; T432-F525 WeakPolarHBondContact OG1-CA 3.24Å; T432-F525 WeakPolarHBondContact OG1-CD2 3.43Å; I521-F525 WeakPolarHBondContact O-CB 3.48Å; I521-F525 PolarHBondContact O-N 2.85Å; V522-F525 WeakPolarHBondContact O-CB 3.36Å; V522-F525 PolarHBondContact O-N 3.42Å; N523-F525 VanDerWaalsContact C-N 3.29Å; N523-F525 PolarHBondContact O-N 2.86Å; F525-D527 VanDerWaalsContact C-N 3.28Å; F525-D527 PolarHBondContact O-N 3.19Å; F525-F528 WeakPolarHBondContact O-CB 3.41Å; F525-F528 PolarHBondContact O-N 3.33Å; F525-F528 VanDerWaalsContact O-N 3.07Å; F525-Y529 AromaticContact CD1-CD2 3.99Å; F525-Y529 HydrophobicContact CD1-CD2 3.99Å; F525-Y529 AromaticContact CD1-CE2 3.82Å; F525-Y529 HydrophobicContact CD1-CE2 3.82Å; F525-Y529 HydrophobicContact CD2-CE2 4.47Å; F525-Y529 AromaticContact CE1-CD2 3.82Å; F525-Y529 HydrophobicContact CE1-CD2 3.82Å; F525-Y529 AromaticContact CE1-CE2 3.22Å; F525-Y529 HydrophobicContact CE1-CE2 3.22Å; F525-Y529 AromaticContact CE2-CE2 3.96Å; F525-Y529 HydrophobicContact CE2-CE2 3.96Å; F525-Y529 HydrophobicContact CG-CE2 4.43Å; F525-Y529 HydrophobicContact CZ-CD2 4.29Å; F525-Y529 AromaticContact CZ-CE2 3.32Å; F525-Y529 HydrophobicContact CZ-CE2 3.32Å; F525-Y529 AromaticContact CZ-CZ 3.98Å; F525-Y529 WeakPolarHBondContact O-CD2 3.19Å; F525-Y529 PolarHBondContact O-N 2.87Å
526	A	92.3	Very high	90	Very high	37 Å²	37	66.5 Å²	66.5	31%	0.306	33%	0.333	S	S	.	.	H	α-helix	trans	-59.1	-40.3	176.1	0	0	0	0	0	111.8	V522 N523 F528 Y529 K530	V522-A526 PolarHBondContact O-N 3.48Å; N523-A526 PolarHBondContact O-N 3.24Å; A526-F528 VanDerWaalsContact C-N 3.33Å; A526-F528 PolarHBondContact O-N 3.04Å; A526-Y529 PolarHBondContact O-N 3.11Å; A526-K530 WeakPolarHBondContact O-CG 3.32Å; A526-K530 PolarHBondContact O-N 2.98Å
527	D	90.1	Very high	90	Very high	35 Å²	35	66.3 Å²	66.3	19%	0.187	33%	0.327	C	S	.	.	H	α-helix	trans	-62.6	-36.6	174.7	-80.6	-3.3	0	0	0	113	R435 N523 F525 Y529 K530 E531	R435-D527 IonicContact CZ-OD2 3.07Å; R435-D527 VanDerWaalsContact CZ-OD2 3.23Å; R435-D527 IonicContact NH1-OD2 3.71Å; R435-D527 PolarHBondContact NH1-OD2 2.68Å; R435-D527 IonicContact NH2-OD2 3.99Å; R435-D527 PolarHBondContact NH2-OD2 3.23Å; N523-D527 PolarHBondContact O-N 2.85Å; F525-D527 VanDerWaalsContact C-N 3.28Å; F525-D527 PolarHBondContact O-N 3.19Å; D527-Y529 VanDerWaalsContact C-N 3.31Å; D527-Y529 PolarHBondContact O-N 3Å; D527-K530 PolarHBondContact O-N 3.1Å; D527-K530 IonicContact OD1-NZ 3.21Å; D527-E531 WeakPolarHBondContact O-CB 3.34Å; D527-E531 PolarHBondContact O-N 2.95Å
528	F	89.8	Confident	89.8	Confident	25 Å²	25	66.2 Å²	66.2	11%	0.11	33%	0.326	C	S	.	.	H	α-helix	trans	-60	-43.5	173.7	176.1	-96.5	0	0	0	111.4	Q427 A428 Y431 N524 F525 A526 E531 H532	Q427-F528 HydrophobicContact CB-CZ 4.29Å; A428-F528 VanDerWaalsContact CA-CE1 3.46Å; A428-F528 HydrophobicContact CB-CD1 3.3Å; A428-F528 HydrophobicContact CB-CE1 3.39Å; A428-F528 HydrophobicContact CB-CG 4.15Å; A428-F528 HydrophobicContact CB-CZ 4.28Å; Y431-F528 HydrophobicContact CD1-CB 3.61Å; Y431-F528 AromaticContact CD1-CD2 3.43Å; Y431-F528 HydrophobicContact CD1-CD2 3.43Å; Y431-F528 VanDerWaalsContact CD1-CD2 3.43Å; Y431-F528 HydrophobicContact CD1-CE2 4.45Å; Y431-F528 AromaticContact CD1-CG 3.9Å; Y431-F528 HydrophobicContact CD1-CG 3.9Å; Y431-F528 AromaticContact CD2-CD2 3.9Å; Y431-F528 HydrophobicContact CD2-CD2 3.9Å; Y431-F528 HydrophobicContact CD2-CE2 4.3Å; Y431-F528 HydrophobicContact CE1-CB 3.91Å; Y431-F528 HydrophobicContact CE1-CD2 4.02Å; Y431-F528 HydrophobicContact CE1-CG 4.46Å; Y431-F528 HydrophobicContact CE2-CD2 4.45Å; Y431-F528 HydrophobicContact CG-CB 4.4Å; Y431-F528 AromaticContact CG-CD2 3.33Å; Y431-F528 HydrophobicContact CG-CD2 3.33Å; Y431-F528 AromaticContact CG-CE2 3.94Å; Y431-F528 HydrophobicContact CG-CE2 3.94Å; Y431-F528 HydrophobicContact CG-CG 4.19Å; N524-F528 PolarHBondContact O-N 3.31Å; F525-F528 WeakPolarHBondContact O-CB 3.41Å; F525-F528 PolarHBondContact O-N 3.33Å; F525-F528 VanDerWaalsContact O-N 3.07Å; A526-F528 VanDerWaalsContact C-N 3.33Å; A526-F528 PolarHBondContact O-N 3.04Å; F528-E531 PolarHBondContact O-N 3.46Å; F528-H532 WeakPolarHBondContact O-CB 3.29Å; F528-H532 PolarHBondContact O-N 2.95Å
529	Y	90.5	Very high	89.4	Confident	86 Å²	86	65.5 Å²	65.5	34%	0.337	32%	0.322	S	S	.	.	H	α-helix	trans	-66.5	-41.7	177.1	-82.6	-91.7	0	0	0	112.1	A428 F525 A526 D527 E531 H532 M533	A428-Y529 HydrophobicContact CB-CE2 3.87Å; F525-Y529 AromaticContact CD1-CD2 3.99Å; F525-Y529 HydrophobicContact CD1-CD2 3.99Å; F525-Y529 AromaticContact CD1-CE2 3.82Å; F525-Y529 HydrophobicContact CD1-CE2 3.82Å; F525-Y529 HydrophobicContact CD2-CE2 4.47Å; F525-Y529 AromaticContact CE1-CD2 3.82Å; F525-Y529 HydrophobicContact CE1-CD2 3.82Å; F525-Y529 AromaticContact CE1-CE2 3.22Å; F525-Y529 HydrophobicContact CE1-CE2 3.22Å; F525-Y529 AromaticContact CE2-CE2 3.96Å; F525-Y529 HydrophobicContact CE2-CE2 3.96Å; F525-Y529 HydrophobicContact CG-CE2 4.43Å; F525-Y529 HydrophobicContact CZ-CD2 4.29Å; F525-Y529 AromaticContact CZ-CE2 3.32Å; F525-Y529 HydrophobicContact CZ-CE2 3.32Å; F525-Y529 AromaticContact CZ-CZ 3.98Å; F525-Y529 WeakPolarHBondContact O-CD2 3.19Å; F525-Y529 PolarHBondContact O-N 2.87Å; A526-Y529 PolarHBondContact O-N 3.11Å; D527-Y529 VanDerWaalsContact C-N 3.31Å; D527-Y529 PolarHBondContact O-N 3Å; Y529-E531 VanDerWaalsContact C-N 3.34Å; Y529-E531 PolarHBondContact O-N 3.34Å; Y529-H532 PolarHBondContact O-N 3.47Å; Y529-M533 WeakPolarHBondContact O-CB 3.35Å; Y529-M533 VanDerWaalsContact O-CG 3.31Å; Y529-M533 WeakPolarHBondContact O-CG 3.29Å; Y529-M533 PolarHBondContact O-N 3.41Å
530	K	90.1	Very high	88.9	Confident	130 Å²	130	67.6 Å²	67.6	57%	0.565	32%	0.323	S	S	*	.	H	α-helix	trans	-58.9	-47	174.8	-70.2	174	-172.5	167.9	0	111.2	A526 D527 R534	A526-K530 WeakPolarHBondContact O-CG 3.32Å; A526-K530 PolarHBondContact O-N 2.98Å; D527-K530 PolarHBondContact O-N 3.1Å; D527-K530 IonicContact OD1-NZ 3.21Å; K530-R534 WeakPolarHBondContact O-CB 3.34Å; K530-R534 PolarHBondContact O-N 2.89Å
531	E	86	Confident	88.7	Confident	42 Å²	42	71.3 Å²	71.3	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-59.6	-50.6	175.3	-178	101.1	-178.7	0	0	110.2	D527 F528 Y529 M533 R534 R535	D527-E531 WeakPolarHBondContact O-CB 3.34Å; D527-E531 PolarHBondContact O-N 2.95Å; F528-E531 PolarHBondContact O-N 3.46Å; Y529-E531 VanDerWaalsContact C-N 3.34Å; Y529-E531 PolarHBondContact O-N 3.34Å; E531-M533 PolarHBondContact O-N 3.37Å; E531-R534 WeakPolarHBondContact O-CA 3.39Å; E531-R534 VanDerWaalsContact O-CB 3.29Å; E531-R534 WeakPolarHBondContact O-CB 3.31Å; E531-R534 PolarHBondContact O-N 3.1Å; E531-R535 VanDerWaalsContact O-CG 3.31Å; E531-R535 WeakPolarHBondContact O-CG 3.35Å; E531-R535 PolarHBondContact O-N 3.41Å; E531-R535 IonicContact OE1-CZ 3.65Å; E531-R535 IonicContact OE1-NE 3.75Å; E531-R535 IonicContact OE1-NH2 3Å; E531-R535 PolarHBondContact OE1-NH2 3.27Å
532	H	86.5	Confident	88.3	Confident	56 Å²	56	72.9 Å²	72.9	26%	0.259	34%	0.338	S	S	.	.	H	α-helix	trans	-57.7	-48.5	179.8	-171.3	-79.3	0	0	0	112.3	F528 Y529 R534 R535 E536	F528-H532 WeakPolarHBondContact O-CB 3.29Å; F528-H532 PolarHBondContact O-N 2.95Å; Y529-H532 PolarHBondContact O-N 3.47Å; H532-R534 VanDerWaalsContact C-N 3.25Å; H532-R534 PolarHBondContact O-N 3.37Å; H532-R535 WeakPolarHBondContact O-CB 3.43Å; H532-R535 PolarHBondContact O-N 3.01Å; H532-R535 VanDerWaalsContact O-N 3.14Å; H532-E536 IonicContact CE1-OE1 3.98Å; H532-E536 PolarHBondContact CE1-OE1 3.02Å; H532-E536 IonicContact ND1-OE1 3.69Å; H532-E536 PolarHBondContact O-N 3.09Å
533	M	87.7	Confident	87.8	Confident	105 Å²	105	73 Å²	73	52%	0.517	34%	0.335	S	S	.	.	H	α-helix	trans	-60.2	-36.3	175.6	-72.9	-178.6	71.3	0	0	112	Y529 E531 E536 K537	Y529-M533 WeakPolarHBondContact O-CB 3.35Å; Y529-M533 VanDerWaalsContact O-CG 3.31Å; Y529-M533 WeakPolarHBondContact O-CG 3.29Å; Y529-M533 PolarHBondContact O-N 3.41Å; E531-M533 PolarHBondContact O-N 3.37Å; M533-E536 PolarHBondContact O-N 2.83Å; M533-K537 WeakPolarHBondContact O-CG 3.37Å; M533-K537 PolarHBondContact O-N 3.34Å
534	R	87	Confident	87.6	Confident	36 Å²	36	73.8 Å²	73.8	14%	0.136	34%	0.336	C	S	.	.	H	α-helix	trans	-64.5	-44.3	174.9	-169.8	-175.9	-170.9	172.7	8.5	111.6	E224 E228 K530 E531 H532 E536 K537 I538	E224-R534 PolarHBondContact O-NH1 3.48Å; E224-R534 PolarHBondContact O-NH2 3.44Å; E228-R534 VanDerWaalsContact CB-NH2 3.33Å; E228-R534 IonicContact OE2-CZ 3.94Å; E228-R534 IonicContact OE2-NE 2.7Å; E228-R534 PolarHBondContact OE2-NE 3.49Å; E228-R534 IonicContact OE2-NH2 2.97Å; E228-R534 PolarHBondContact OE2-NH2 3.01Å; K530-R534 WeakPolarHBondContact O-CB 3.34Å; K530-R534 PolarHBondContact O-N 2.89Å; E531-R534 WeakPolarHBondContact O-CA 3.39Å; E531-R534 VanDerWaalsContact O-CB 3.29Å; E531-R534 WeakPolarHBondContact O-CB 3.31Å; E531-R534 PolarHBondContact O-N 3.1Å; H532-R534 VanDerWaalsContact C-N 3.25Å; H532-R534 PolarHBondContact O-N 3.37Å; R534-E536 VanDerWaalsContact C-N 3.28Å; R534-E536 PolarHBondContact O-N 3.13Å; R534-K537 PolarHBondContact O-N 3.14Å; R534-K537 VanDerWaalsContact O-N 3.17Å; R534-I538 HydrophobicContact CG-CD1 3.89Å; R534-I538 HydrophobicContact CG-CG1 4.46Å; R534-I538 WeakPolarHBondContact O-CG1 3.34Å; R534-I538 PolarHBondContact O-N 2.99Å
535	R	85.2	Confident	87.2	Confident	83 Å²	83	79 Å²	79	31%	0.313	36%	0.356	S	S	.	.	H	α-helix	trans	-58.7	-42.5	176.3	-56.1	-166.8	180	-173.5	-4.3	111.3	C231 Q234 E531 H532 I538 L539	C231-R535 HydrophobicContact CB-CG 4.5Å; C231-R535 VanDerWaalsContact SG-CG 3.51Å; Q234-R535 VanDerWaalsContact OE1-NH1 3.17Å; E531-R535 VanDerWaalsContact O-CG 3.31Å; E531-R535 WeakPolarHBondContact O-CG 3.35Å; E531-R535 PolarHBondContact O-N 3.41Å; E531-R535 IonicContact OE1-CZ 3.65Å; E531-R535 IonicContact OE1-NE 3.75Å; E531-R535 IonicContact OE1-NH2 3Å; E531-R535 PolarHBondContact OE1-NH2 3.27Å; H532-R535 WeakPolarHBondContact O-CB 3.43Å; H532-R535 PolarHBondContact O-N 3.01Å; H532-R535 VanDerWaalsContact O-N 3.14Å; R535-I538 PolarHBondContact O-N 3.36Å; R535-L539 WeakPolarHBondContact O-CB 3.49Å; R535-L539 VanDerWaalsContact O-CG 3.28Å; R535-L539 WeakPolarHBondContact O-CG 3.44Å; R535-L539 PolarHBondContact O-N 2.79Å
536	E	85.2	Confident	86.7	Confident	90 Å²	90	78.6 Å²	78.6	42%	0.421	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-42.2	175.7	-70.1	-175	167.8	0	0	112.8	H532 M533 R534 L539 K540	H532-E536 IonicContact CE1-OE1 3.98Å; H532-E536 PolarHBondContact CE1-OE1 3.02Å; H532-E536 IonicContact ND1-OE1 3.69Å; H532-E536 PolarHBondContact O-N 3.09Å; M533-E536 PolarHBondContact O-N 2.83Å; R534-E536 VanDerWaalsContact C-N 3.28Å; R534-E536 PolarHBondContact O-N 3.13Å; E536-L539 PolarHBondContact O-N 3.45Å; E536-K540 WeakPolarHBondContact O-CG 3.47Å; E536-K540 PolarHBondContact O-N 2.83Å
537	K	88.7	Confident	86.4	Confident	121 Å²	121	82.2 Å²	82.2	53%	0.526	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-42.8	176	-72.9	176.5	-178.5	-178.4	0	112	M533 R534 K540 R541	M533-K537 WeakPolarHBondContact O-CG 3.37Å; M533-K537 PolarHBondContact O-N 3.34Å; R534-K537 PolarHBondContact O-N 3.14Å; R534-K537 VanDerWaalsContact O-N 3.17Å; K537-K540 PolarHBondContact O-N 3.09Å; K537-R541 WeakPolarHBondContact O-CG 3.47Å; K537-R541 PolarHBondContact O-N 3.33Å
538	I	86.8	Confident	86.2	Confident	11 Å²	11	87.5 Å²	87.5	6%	0.056	39%	0.387	C	S	.	.	H	α-helix	trans	-63.1	-44.2	177.1	-69.1	164.8	0	0	0	110.5	E228 C231 I232 I235 R534 R535 K540 R541 K542	E228-I538 HydrophobicContact CB-CD1 4.45Å; E228-I538 HydrophobicContact CG-CD1 3.72Å; E228-I538 HydrophobicContact CG-CG1 4.22Å; C231-I538 HydrophobicContact CB-CD1 3.84Å; I232-I538 HydrophobicContact CD1-CG2 4.47Å; I232-I538 HydrophobicContact CG1-CG2 3.72Å; I235-I538 HydrophobicContact CD1-CG2 4.12Å; R534-I538 HydrophobicContact CG-CD1 3.89Å; R534-I538 HydrophobicContact CG-CG1 4.46Å; R534-I538 WeakPolarHBondContact O-CG1 3.34Å; R534-I538 PolarHBondContact O-N 2.99Å; R535-I538 PolarHBondContact O-N 3.36Å; I538-K540 PolarHBondContact O-N 3.39Å; I538-R541 PolarHBondContact O-N 2.92Å; I538-K542 WeakPolarHBondContact O-CB 3.41Å; I538-K542 PolarHBondContact O-N 2.75Å
539	L	82.4	Confident	86	Confident	72 Å²	72	89.4 Å²	89.4	38%	0.377	40%	0.396	S	S	.	.	H	α-helix	trans	-60.5	-44.3	176.2	-74.4	168.6	0	0	0	111.8	I235 R535 E536 K542 D543	I235-L539 HydrophobicContact CD1-CD2 3.59Å; I235-L539 HydrophobicContact CD1-CG 3.82Å; I235-L539 HydrophobicContact CG1-CD2 3.96Å; I235-L539 HydrophobicContact CG2-CD2 3.85Å; R535-L539 WeakPolarHBondContact O-CB 3.49Å; R535-L539 VanDerWaalsContact O-CG 3.28Å; R535-L539 WeakPolarHBondContact O-CG 3.44Å; R535-L539 PolarHBondContact O-N 2.79Å; E536-L539 PolarHBondContact O-N 3.45Å; L539-K542 PolarHBondContact O-N 2.63Å; L539-D543 VanDerWaalsContact O-CG 3.31Å; L539-D543 PolarHBondContact O-N 3.4Å
540	K	85.8	Confident	85.6	Confident	129 Å²	129	91.3 Å²	91.3	56%	0.561	40%	0.403	S	S	*	.	H	α-helix	trans	-61.7	-45.5	175.8	-72.7	173.7	-179.1	178.3	0	112.5	E536 K537 I538 K542 D543 E544	E536-K540 WeakPolarHBondContact O-CG 3.47Å; E536-K540 PolarHBondContact O-N 2.83Å; K537-K540 PolarHBondContact O-N 3.09Å; I538-K540 PolarHBondContact O-N 3.39Å; K540-K542 VanDerWaalsContact C-N 3.31Å; K540-K542 PolarHBondContact O-N 3.04Å; K540-D543 PolarHBondContact O-N 3.21Å; K540-E544 WeakPolarHBondContact O-CG 3.32Å; K540-E544 PolarHBondContact O-N 2.98Å
541	R	87.8	Confident	85.5	Confident	143 Å²	143	89.4 Å²	89.4	54%	0.54	40%	0.399	S	S	.	.	H	α-helix	trans	-61.3	-40.1	175.7	-73.7	176.8	-177.3	169.4	-3.1	111.8	E228 K537 I538 E544 Y545	E228-R541 IonicContact OE1-NH1 2.77Å; K537-R541 WeakPolarHBondContact O-CG 3.47Å; K537-R541 PolarHBondContact O-N 3.33Å; I538-R541 PolarHBondContact O-N 2.92Å; R541-E544 PolarHBondContact O-N 2.62Å; R541-Y545 VanDerWaalsContact O-CB 3.24Å; R541-Y545 WeakPolarHBondContact O-CB 3.15Å; R541-Y545 PolarHBondContact O-N 3.28Å
542	K	82.9	Confident	85.4	Confident	74 Å²	74	92 Å²	92	32%	0.322	41%	0.411	S	S	.	.	H	α-helix	trans	-63.4	-46.3	175	179	170.3	175.5	145.1	0	111.2	I538 L539 K540 E544 Y545 D546	I538-K542 WeakPolarHBondContact O-CB 3.41Å; I538-K542 PolarHBondContact O-N 2.75Å; L539-K542 PolarHBondContact O-N 2.63Å; K540-K542 VanDerWaalsContact C-N 3.31Å; K540-K542 PolarHBondContact O-N 3.04Å; K542-E544 VanDerWaalsContact C-N 3.28Å; K542-E544 PolarHBondContact O-N 2.72Å; K542-Y545 PolarHBondContact O-N 2.69Å; K542-D546 WeakPolarHBondContact O-CB 3.44Å; K542-D546 PolarHBondContact O-N 3Å
543	D	82.8	Confident	85.3	Confident	88 Å²	88	94.8 Å²	94.8	47%	0.471	42%	0.424	S	S	.	.	H	α-helix	trans	-62.5	-36.4	177.8	-69.6	-20.9	0	0	0	112.1	L539 K540 K547	L539-D543 VanDerWaalsContact O-CG 3.31Å; L539-D543 PolarHBondContact O-N 3.4Å; K540-D543 PolarHBondContact O-N 3.21Å; D543-K547 WeakPolarHBondContact O-CD 3.45Å; D543-K547 WeakPolarHBondContact O-CG 3.16Å; D543-K547 PolarHBondContact O-N 3.45Å
544	E	87.4	Confident	85.2	Confident	105 Å²	105	94.7 Å²	94.7	49%	0.491	43%	0.425	S	S	.	.	H	α-helix	trans	-67.7	-49.6	173.5	-73.8	168.2	-173.9	0	0	111.2	K540 R541 K542 D546 K547 F548	K540-E544 WeakPolarHBondContact O-CG 3.32Å; K540-E544 PolarHBondContact O-N 2.98Å; R541-E544 PolarHBondContact O-N 2.62Å; K542-E544 VanDerWaalsContact C-N 3.28Å; K542-E544 PolarHBondContact O-N 2.72Å; E544-D546 PolarHBondContact O-N 3.19Å; E544-K547 WeakPolarHBondContact O-CA 3.04Å; E544-K547 WeakPolarHBondContact O-CB 3.4Å; E544-K547 PolarHBondContact O-N 2.81Å; E544-F548 HydrophobicContact CB-CE2 4.49Å; E544-F548 WeakPolarHBondContact O-CD2 3.4Å; E544-F548 PolarHBondContact O-N 3.05Å
545	Y	84.1	Confident	85.1	Confident	126 Å²	126	97.4 Å²	97.4	49%	0.494	44%	0.441	S	S	.	.	H	α-helix	trans	-57.4	-45.7	176.9	-175.1	-100.2	0	0	0	112.1	R541 K542 K547 F548 H549	R541-Y545 VanDerWaalsContact O-CB 3.24Å; R541-Y545 WeakPolarHBondContact O-CB 3.15Å; R541-Y545 PolarHBondContact O-N 3.28Å; K542-Y545 PolarHBondContact O-N 2.69Å; Y545-K547 VanDerWaalsContact C-N 3.25Å; Y545-K547 PolarHBondContact O-N 3.23Å; Y545-F548 PolarHBondContact O-N 3.19Å; Y545-F548 VanDerWaalsContact O-N 3.14Å; Y545-H549 AromaticContact CD1-CD2 3.54Å; Y545-H549 AromaticContact CE1-CD2 3.18Å; Y545-H549 WeakPolarHBondContact CE1-CD2 3.3Å; Y545-H549 AromaticContact CE1-NE2 3.25Å; Y545-H549 WeakPolarHBondContact CE1-NE2 3.42Å; Y545-H549 AromaticContact CE2-CD2 3.81Å; Y545-H549 AromaticContact CE2-NE2 3.45Å; Y545-H549 WeakPolarHBondContact CE2-NE2 3.37Å; Y545-H549 AromaticContact CZ-CD2 3.36Å; Y545-H549 AromaticContact CZ-NE2 2.91Å; Y545-H549 PolarHBondContact O-CD2 3.4Å; Y545-H549 PolarHBondContact O-N 3.28Å; Y545-H549 PolarHBondContact OH-NE2 3.08Å
546	D	82.2	Confident	85	Confident	56 Å²	56	97 Å²	97	30%	0.299	45%	0.445	S	S	.	.	H	α-helix	trans	-65.5	-28.5	177.2	-68.2	-12.1	0	0	0	111.7	K542 E544 R550	K542-D546 WeakPolarHBondContact O-CB 3.44Å; K542-D546 PolarHBondContact O-N 3Å; E544-D546 PolarHBondContact O-N 3.19Å; D546-R550 WeakPolarHBondContact O-CG 3.38Å; D546-R550 PolarHBondContact O-N 3.12Å; D546-R550 PolarHBondContact O-NH1 2.71Å; D546-R550 VanDerWaalsContact O-NH1 3.15Å
547	K	84.9	Confident	84.8	Confident	114 Å²	114	97 Å²	97	50%	0.496	45%	0.448	S	S	.	.	H	α-helix	trans	-72.3	-42.6	171.5	-73.4	166.8	-169.1	175.3	0	111.5	D543 E544 Y545 R550 N551	D543-K547 WeakPolarHBondContact O-CD 3.45Å; D543-K547 WeakPolarHBondContact O-CG 3.16Å; D543-K547 PolarHBondContact O-N 3.45Å; E544-K547 WeakPolarHBondContact O-CA 3.04Å; E544-K547 WeakPolarHBondContact O-CB 3.4Å; E544-K547 PolarHBondContact O-N 2.81Å; Y545-K547 VanDerWaalsContact C-N 3.25Å; Y545-K547 PolarHBondContact O-N 3.23Å; K547-R550 PolarHBondContact O-N 2.9Å; K547-N551 VanDerWaalsContact O-CG 3.24Å; K547-N551 PolarHBondContact O-N 2.67Å
548	F	87.4	Confident	84.4	Confident	145 Å²	145	97.8 Å²	97.8	64%	0.636	45%	0.454	S	S	*	.	H	α-helix	trans	-60.2	-48.2	176.6	-79.3	-71.2	0	0	0	111.2	E544 Y545 R550 N551 E552	E544-F548 HydrophobicContact CB-CE2 4.49Å; E544-F548 WeakPolarHBondContact O-CD2 3.4Å; E544-F548 PolarHBondContact O-N 3.05Å; Y545-F548 PolarHBondContact O-N 3.19Å; Y545-F548 VanDerWaalsContact O-N 3.14Å; F548-R550 PolarHBondContact O-N 3.48Å; F548-N551 WeakPolarHBondContact O-CB 3.3Å; F548-N551 PolarHBondContact O-N 3.03Å; F548-N551 VanDerWaalsContact O-N 3.12Å; F548-E552 PolarHBondContact O-N 3.3Å
549	H	84	Confident	84.1	Confident	66 Å²	66	101.6 Å²	101.6	31%	0.306	47%	0.473	S	S	.	.	H	α-helix	trans	-59.2	-44.9	176.8	-89	-68.5	0	0	0	113.3	Y545 N551 E552 E553	Y545-H549 AromaticContact CD1-CD2 3.54Å; Y545-H549 AromaticContact CE1-CD2 3.18Å; Y545-H549 WeakPolarHBondContact CE1-CD2 3.3Å; Y545-H549 AromaticContact CE1-NE2 3.25Å; Y545-H549 WeakPolarHBondContact CE1-NE2 3.42Å; Y545-H549 AromaticContact CE2-CD2 3.81Å; Y545-H549 AromaticContact CE2-NE2 3.45Å; Y545-H549 WeakPolarHBondContact CE2-NE2 3.37Å; Y545-H549 AromaticContact CZ-CD2 3.36Å; Y545-H549 AromaticContact CZ-NE2 2.91Å; Y545-H549 PolarHBondContact O-CD2 3.4Å; Y545-H549 PolarHBondContact O-N 3.28Å; Y545-H549 PolarHBondContact OH-NE2 3.08Å; H549-N551 VanDerWaalsContact C-N 3.29Å; H549-N551 PolarHBondContact O-N 2.65Å; H549-E552 PolarHBondContact O-N 3.32Å; H549-E553 WeakPolarHBondContact O-CG 3.43Å; H549-E553 PolarHBondContact O-N 3.16Å
550	R	83.3	Confident	83.8	Confident	125 Å²	125	103.1 Å²	103.1	47%	0.472	48%	0.482	S	S	.	.	H	α-helix	trans	-61.8	-37.7	175.7	-75.2	-171.5	-58.7	-89.4	-1.6	112.5	D546 K547 F548 L554	D546-R550 WeakPolarHBondContact O-CG 3.38Å; D546-R550 PolarHBondContact O-N 3.12Å; D546-R550 PolarHBondContact O-NH1 2.71Å; D546-R550 VanDerWaalsContact O-NH1 3.15Å; K547-R550 PolarHBondContact O-N 2.9Å; F548-R550 PolarHBondContact O-N 3.48Å; R550-L554 WeakPolarHBondContact O-CB 3.5Å; R550-L554 WeakPolarHBondContact O-CG 3.33Å; R550-L554 PolarHBondContact O-N 3.4Å
551	N	86.4	Confident	83.4	Confident	90 Å²	90	104 Å²	104	48%	0.481	49%	0.485	S	S	.	.	H	α-helix	trans	-68.6	-40	177	-70	-12.2	0	0	0	111.4	K547 F548 H549 L554 I555	K547-N551 VanDerWaalsContact O-CG 3.24Å; K547-N551 PolarHBondContact O-N 2.67Å; F548-N551 WeakPolarHBondContact O-CB 3.3Å; F548-N551 PolarHBondContact O-N 3.03Å; F548-N551 VanDerWaalsContact O-N 3.12Å; H549-N551 VanDerWaalsContact C-N 3.29Å; H549-N551 PolarHBondContact O-N 2.65Å; N551-L554 PolarHBondContact O-N 3.41Å; N551-I555 VanDerWaalsContact O-CG1 3.27Å; N551-I555 WeakPolarHBondContact O-CG1 3.49Å; N551-I555 PolarHBondContact O-N 2.63Å
552	E	85.4	Confident	82.7	Confident	96 Å²	96	100.9 Å²	100.9	45%	0.449	49%	0.486	S	S	.	.	H	α-helix	trans	-64.3	-44.1	176	-168.5	178.2	173.1	0	0	111.6	F548 H549 L554 I555 N556	F548-E552 PolarHBondContact O-N 3.3Å; H549-E552 PolarHBondContact O-N 3.32Å; E552-L554 VanDerWaalsContact C-N 3.32Å; E552-L554 PolarHBondContact O-N 2.74Å; E552-I555 PolarHBondContact O-N 3.06Å; E552-N556 WeakPolarHBondContact O-CB 3.45Å; E552-N556 VanDerWaalsContact O-CG 3.28Å; E552-N556 PolarHBondContact O-N 2.87Å; E552-N556 PolarHBondContact O-ND2 3.25Å
553	E	83.3	Confident	82.2	Confident	115 Å²	115	101.2 Å²	101.2	54%	0.537	50%	0.502	S	S	.	.	H	α-helix	trans	-59.5	-40.5	172.9	-74	176.2	-180	0	0	112.2	H549 N557	H549-E553 WeakPolarHBondContact O-CG 3.43Å; H549-E553 PolarHBondContact O-N 3.16Å; E553-N557 VanDerWaalsContact O-CB 3.28Å; E553-N557 WeakPolarHBondContact O-CB 3.47Å; E553-N557 PolarHBondContact O-N 3.48Å; E553-N557 PolarHBondContact O-ND2 2.65Å
554	L	86	Confident	81.1	Confident	103 Å²	103	106.2 Å²	106.2	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-64.7	-45.5	176.3	-73.7	169.7	0	0	0	111.6	R550 N551 E552 N557 E558	R550-L554 WeakPolarHBondContact O-CB 3.5Å; R550-L554 WeakPolarHBondContact O-CG 3.33Å; R550-L554 PolarHBondContact O-N 3.4Å; N551-L554 PolarHBondContact O-N 3.41Å; E552-L554 VanDerWaalsContact C-N 3.32Å; E552-L554 PolarHBondContact O-N 2.74Å; L554-N557 PolarHBondContact O-N 2.65Å; L554-E558 WeakPolarHBondContact O-CG 3.24Å; L554-E558 PolarHBondContact O-N 3.11Å
555	I	85	Confident	79.5	Confident	93 Å²	93	112.3 Å²	112.3	48%	0.477	55%	0.546	S	S	.	.	H	α-helix	trans	-62	-46.6	177.2	-68.3	163.8	0	0	0	110.4	N551 E552 N557 E558 I559	N551-I555 VanDerWaalsContact O-CG1 3.27Å; N551-I555 WeakPolarHBondContact O-CG1 3.49Å; N551-I555 PolarHBondContact O-N 2.63Å; E552-I555 PolarHBondContact O-N 3.06Å; I555-N557 VanDerWaalsContact C-N 3.31Å; I555-N557 PolarHBondContact O-N 3.5Å; I555-E558 PolarHBondContact O-N 3.37Å; I555-E558 VanDerWaalsContact O-N 3.13Å; I555-I559 HydrophobicContact CG2-CD1 3.75Å; I555-I559 HydrophobicContact CG2-CG1 4.38Å; I555-I559 WeakPolarHBondContact O-CG1 3.27Å; I555-I559 PolarHBondContact O-N 3.34Å
556	N	82.7	Confident	79.3	Confident	74 Å²	74	111.7 Å²	111.7	40%	0.396	55%	0.548	S	S	.	.	H	α-helix	trans	-63.3	-37.4	178.3	-71.9	-22.1	0	0	0	111.8	E552 I559 N560	E552-N556 WeakPolarHBondContact O-CB 3.45Å; E552-N556 VanDerWaalsContact O-CG 3.28Å; E552-N556 PolarHBondContact O-N 2.87Å; E552-N556 PolarHBondContact O-ND2 3.25Å; N556-I559 PolarHBondContact O-N 2.96Å; N556-N560 VanDerWaalsContact O-CB 3.32Å; N556-N560 WeakPolarHBondContact O-CB 3.33Å; N556-N560 PolarHBondContact O-N 3.47Å; N556-N560 PolarHBondContact O-ND2 3.49Å
557	N	81.2	Confident	79.1	Confident	92 Å²	92	114.6 Å²	114.6	49%	0.492	56%	0.561	S	S	.	*	H	α-helix	trans	-68.3	-34.1	174.1	-75.7	-37.3	0	0	0	112.8	E553 L554 I555 K561	E553-N557 VanDerWaalsContact O-CB 3.28Å; E553-N557 WeakPolarHBondContact O-CB 3.47Å; E553-N557 PolarHBondContact O-N 3.48Å; E553-N557 PolarHBondContact O-ND2 2.65Å; L554-N557 PolarHBondContact O-N 2.65Å; I555-N557 VanDerWaalsContact C-N 3.31Å; I555-N557 PolarHBondContact O-N 3.5Å; N557-K561 WeakPolarHBondContact O-CB 3.36Å; N557-K561 WeakPolarHBondContact O-CG 3.24Å; N557-K561 PolarHBondContact O-N 2.89Å; N557-K561 VanDerWaalsContact O-N 3.08Å
558	E	80.3	Confident	78.8	Confident	137 Å²	137	114.6 Å²	114.6	64%	0.64	57%	0.565	S	S	*	*	H	α-helix	trans	-69.2	-43.7	173.3	-76.9	-177.9	177.4	0	0	111.9	L554 I555 K561 S562	L554-E558 WeakPolarHBondContact O-CG 3.24Å; L554-E558 PolarHBondContact O-N 3.11Å; I555-E558 PolarHBondContact O-N 3.37Å; I555-E558 VanDerWaalsContact O-N 3.13Å; E558-K561 PolarHBondContact O-N 2.78Å; E558-S562 PolarHBondContact O-N 3.01Å; E558-S562 PolarHBondContact O-OG 3.36Å
559	I	81.1	Confident	78.3	Confident	91 Å²	91	112.8 Å²	112.8	47%	0.467	56%	0.561	S	S	.	*	H	α-helix	trans	-61.6	-43.8	174.9	-66.5	167.6	0	0	0	110.7	I555 N556 K561 S562 A563	I555-I559 HydrophobicContact CG2-CD1 3.75Å; I555-I559 HydrophobicContact CG2-CG1 4.38Å; I555-I559 WeakPolarHBondContact O-CG1 3.27Å; I555-I559 PolarHBondContact O-N 3.34Å; N556-I559 PolarHBondContact O-N 2.96Å; I559-K561 VanDerWaalsContact C-N 3.3Å; I559-K561 PolarHBondContact O-N 2.84Å; I559-S562 WeakPolarHBondContact CA-OG 3.13Å; I559-S562 PolarHBondContact O-N 2.95Å; I559-S562 PolarHBondContact O-OG 3.01Å; I559-A563 WeakPolarHBondContact O-CB 3.27Å; I559-A563 PolarHBondContact O-N 3.37Å
560	N	76.9	Confident	78	Confident	103 Å²	103	115.8 Å²	115.8	55%	0.551	58%	0.577	S	S	*	*	H	α-helix	trans	-67.1	-31.6	178.2	-74	-25.8	0	0	0	112.7	N556	N556-N560 VanDerWaalsContact O-CB 3.32Å; N556-N560 WeakPolarHBondContact O-CB 3.33Å; N556-N560 PolarHBondContact O-N 3.47Å; N556-N560 PolarHBondContact O-ND2 3.49Å
561	K	75.7	Confident	77.6	Confident	147 Å²	147	115.1 Å²	115.1	64%	0.639	58%	0.584	S	S	*	*	H	α-helix	trans	-70.5	-42.7	172.4	-79.4	177.2	-178.2	177.4	0	111.7	N557 E558 I559 A563 F564 F565	N557-K561 WeakPolarHBondContact O-CB 3.36Å; N557-K561 WeakPolarHBondContact O-CG 3.24Å; N557-K561 PolarHBondContact O-N 2.89Å; N557-K561 VanDerWaalsContact O-N 3.08Å; E558-K561 PolarHBondContact O-N 2.78Å; I559-K561 VanDerWaalsContact C-N 3.3Å; I559-K561 PolarHBondContact O-N 2.84Å; K561-A563 VanDerWaalsContact C-N 3.31Å; K561-A563 PolarHBondContact O-N 2.8Å; K561-F564 PolarHBondContact O-N 2.77Å; K561-F565 VanDerWaalsContact O-CD2 3.27Å; K561-F565 WeakPolarHBondContact O-CD2 3.28Å
562	S	74.5	Confident	77	Confident	78 Å²	78	116.9 Å²	116.9	55%	0.545	59%	0.591	S	S	.	*	H	α-helix	trans	-70.1	-27.2	179.3	64.3	0	0	0	0	113	E558 I559 F564 F565	E558-S562 PolarHBondContact O-N 3.01Å; E558-S562 PolarHBondContact O-OG 3.36Å; I559-S562 WeakPolarHBondContact CA-OG 3.13Å; I559-S562 PolarHBondContact O-N 2.95Å; I559-S562 PolarHBondContact O-OG 3.01Å; S562-F564 VanDerWaalsContact C-N 3.27Å; S562-F564 PolarHBondContact O-N 3.09Å; S562-F565 VanDerWaalsContact O-OXT 3.13Å
563	A	70.9	Confident	76.3	Confident	81 Å²	81	118.5 Å²	118.5	67%	0.669	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-14.7	171.9	0	0	0	0	0	113.9	I559 K561	I559-A563 WeakPolarHBondContact O-CB 3.27Å; I559-A563 PolarHBondContact O-N 3.37Å; K561-A563 VanDerWaalsContact C-N 3.31Å; K561-A563 PolarHBondContact O-N 2.8Å
564	F	60.2	Low	75.8	Confident	193 Å²	193	118.8 Å²	118.8	85%	0.846	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-14.4	-179.6	-138.6	-86.4	0	0	0	113.5	K561 S562	K561-F564 PolarHBondContact O-N 2.77Å; S562-F564 VanDerWaalsContact C-N 3.27Å; S562-F564 PolarHBondContact O-N 3.09Å
565	F	54.8	Low	74.8	Confident	234 Å²	234	120.3 Å²	120.3	100%	1.026	61%	0.614	S	S	*	*			trans	-102.5	0	172.7	-71.5	-76.9	0	0	0	110	K561 S562	K561-F565 VanDerWaalsContact O-CD2 3.27Å; K561-F565 WeakPolarHBondContact O-CD2 3.28Å; S562-F565 VanDerWaalsContact O-OXT 3.13Å

Retrieved 565 of 565 residues in 185 ms (Link to these results)

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