A0A3Q0KVI9_SCHMA Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A3Q0KVI9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 498 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	35.4	Very low	220 Å²	220	150.5 Å²	150.5	100%	1.084	75%	0.754	S	S	*	*				0	63.8	0	-59.3	177.6	-171.2	0	0	107.8
2	D	38.7	Very low	35.2	Very low	146 Å²	146	152.5 Å²	152.5	78%	0.781	77%	0.767	S	S	*	*				94.6	128.2	50.4	-57.5	-21.3	0	0	0	109.6
3	D	37.9	Very low	34.9	Very low	131 Å²	131	150 Å²	150	70%	0.701	77%	0.772	S	S	*	*			cis	-151.6	167.6	-12.6	-158.3	18.9	0	0	0	113.2
4	L	37.5	Very low	34.5	Very low	136 Å²	136	144.4 Å²	144.4	71%	0.712	77%	0.769	S	S	*	*			trans	-36	165.4	157.5	-63.1	170.4	0	0	0	114.6
5	T	38.8	Very low	34	Very low	91 Å²	91	151.9 Å²	151.9	56%	0.558	78%	0.783	S	S	*	*			cis	-170.9	173.2	14.7	3.7	0	0	0	0	114.2
6	K	38.8	Very low	33.4	Very low	167 Å²	167	149.1 Å²	149.1	73%	0.726	78%	0.781	S	S	*	*			trans	70.6	150.6	141.8	-76	154.3	-165.9	162.2	0	119.7
7	Q	37.1	Very low	33.1	Very low	176 Å²	176	148.8 Å²	148.8	82%	0.822	78%	0.778	S	S	*	*			cis	-159.6	168.8	-25	-119.4	-179.7	-30.6	0	0	109.1
8	P	38.2	Very low	32.7	Very low	107 Å²	107	153.5 Å²	153.5	70%	0.695	78%	0.784	S	S	*	*			trans	-117	-161.8	-163.5	46	-38.5	0	0	0	115.9
9	D	30.9	Very low	32.1	Very low	107 Å²	107	153.4 Å²	153.4	57%	0.572	79%	0.785	S	S	*	*			trans	85.6	116.5	156.6	-93.4	10	0	0	0	120.1	K11	D9-K11 IonicContact OD2-NZ 2.79Å; D9-K11 PolarHBondContact OD2-NZ 2.79Å
10	F	29.1	Very low	31.8	Very low	214 Å²	214	157.9 Å²	157.9	94%	0.939	79%	0.794	S	S	*	*			trans	-136.4	125	142.2	-112.9	-85.8	0	0	0	108.5
11	K	28	Very low	31.4	Very low	161 Å²	161	153.4 Å²	153.4	70%	0.7	79%	0.787	S	S	*	*			trans	-113	139.1	178.4	-76.3	172.8	178.3	122.2	0	110.4	D9	D9-K11 IonicContact OD2-NZ 2.79Å; D9-K11 PolarHBondContact OD2-NZ 2.79Å
12	L	33.3	Very low	30.9	Very low	174 Å²	174	148.7 Å²	148.7	91%	0.911	78%	0.776	S	S	*	*			trans	-133.1	136.3	156.9	-83.2	173.8	0	0	0	110.3
13	S	31.4	Very low	30.2	Very low	120 Å²	120	149.9 Å²	149.9	84%	0.839	78%	0.776	S	S	*	*			trans	-75.9	156	170.3	48.7	0	0	0	0	111.2
14	G	28.5	Very low	29.7	Very low	71 Å²	71	148.2 Å²	148.2	73%	0.732	77%	0.773	S	S	*	*			cis	143	133.8	-3.2	0	0	0	0	0	112
15	R	28.2	Very low	29.1	Very low	258 Å²	258	153 Å²	153	97%	0.974	78%	0.781	S	S	*	*			trans	-158.2	145.8	162.9	-108.3	170.9	-172.6	-168	1	109.1
16	S	24.1	Very low	28.5	Very low	107 Å²	107	153.3 Å²	153.3	75%	0.748	77%	0.773	S	S	*	*			trans	-91.7	148.5	-172.6	-177	0	0	0	0	112.1
17	I	27.1	Very low	27.9	Very low	144 Å²	144	149 Å²	149	74%	0.738	76%	0.756	S	S	*	*				174.5	122.3	118.2	-89.2	159.3	0	0	0	112.1
18	R	26.7	Very low	27.3	Very low	233 Å²	233	145.3 Å²	145.3	88%	0.879	74%	0.742	S	S	*	*			trans	65.4	117.3	158	-69.3	167.3	-166.4	-155.6	0.4	121
19	N	22.1	Very low	26.8	Very low	151 Å²	151	144.3 Å²	144.3	81%	0.807	74%	0.737	S	S	*	*			trans	-71.6	143.3	158	-66.9	-27.7	0	0	0	112.2
20	Y	25.8	Very low	26.7	Very low	244 Å²	244	141 Å²	141	96%	0.957	72%	0.72	S	S	*	*			trans	-174.9	148.1	135.6	-80.2	-64.7	0	0	0	105.2
21	G	23.8	Very low	26.8	Very low	63 Å²	63	133.9 Å²	133.9	65%	0.649	69%	0.692	S	S	*	*			cis	178.4	152.2	-1.2	0	0	0	0	0	106.8	H23	G21-H23 PolarHBondContact O-N 2.76Å
22	S	23.1	Very low	26.7	Very low	122 Å²	122	136 Å²	136	85%	0.853	70%	0.696	S	S	*	*			trans	-61.5	130.8	-171.2	52.5	0	0	0	0	114
23	H	24.6	Very low	26.4	Very low	171 Å²	171	132 Å²	132	79%	0.792	68%	0.675	S	S	*	*			trans	-133.6	116.6	171.3	-110.3	-74.4	0	0	0	111.8	G21	G21-H23 PolarHBondContact O-N 2.76Å
24	P	26.6	Very low	26.2	Very low	96 Å²	96	129.2 Å²	129.2	62%	0.623	65%	0.654	S	S	*	*			trans	-77.7	132.9	173.1	31.7	-33.4	0	0	0	111	Y26	P24-Y26 HydrophobicContact CB-CD2 3.91Å; P24-Y26 HydrophobicContact CB-CE2 3.83Å; P24-Y26 HydrophobicContact CG-CD2 4.46Å; P24-Y26 PolarHBondContact O-N 3.4Å
25	R	25.8	Very low	26	Very low	235 Å²	235	135.4 Å²	135.4	89%	0.887	66%	0.661	S	S	*	*			trans	-81.4	96.2	179	-69.5	-176.2	-178.8	172.7	1.8	111.4	I372	R25-I372 WeakPolarHBondContact O-CD1 3.16Å
26	Y	25.4	Very low	26.1	Very low	99 Å²	99	129.7 Å²	129.7	39%	0.388	65%	0.645	S	S	.	*			trans	-115.4	159.8	171.7	-77.4	-114.7	0	0	0	110.9	P24 I372 K377	P24-Y26 HydrophobicContact CB-CD2 3.91Å; P24-Y26 HydrophobicContact CB-CE2 3.83Å; P24-Y26 HydrophobicContact CG-CD2 4.46Å; P24-Y26 PolarHBondContact O-N 3.4Å; Y26-I372 HydrophobicContact CD1-CB 3.74Å; Y26-I372 HydrophobicContact CD1-CG2 4.14Å; Y26-I372 HydrophobicContact CD2-CD1 4.13Å; Y26-I372 HydrophobicContact CE1-CB 3.53Å; Y26-I372 HydrophobicContact CE1-CG2 3.39Å; Y26-I372 HydrophobicContact CE2-CB 4.34Å; Y26-I372 HydrophobicContact CE2-CD1 3.94Å; Y26-I372 HydrophobicContact CE2-CG2 4.14Å; Y26-I372 HydrophobicContact CG-CB 4.25Å; Y26-I372 WeakPolarHBondContact OH-CG2 3.37Å; Y26-K377 PolarHBondContact OH-O 3.44Å
27	M	26.1	Very low	26.1	Very low	77 Å²	77	130.2 Å²	130.2	38%	0.379	64%	0.644	S	S	.	*			trans	61.5	118.8	-174.1	-73.4	-156.4	167.1	0	0	118.1	S29 Y283 T333	M27-S29 VanDerWaalsContact C-N 3.31Å; M27-S29 PolarHBondContact O-N 3.16Å; M27-Y283 HydrophobicContact CE-CD1 3.44Å; M27-Y283 VanDerWaalsContact CE-CD1 3.44Å; M27-Y283 HydrophobicContact CE-CE1 3.53Å; M27-Y283 HydrophobicContact CE-CG 4.06Å; M27-Y283 HydrophobicContact SD-CD1 3.93Å; M27-Y283 HydrophobicContact SD-CE1 3.38Å; M27-Y283 WeakPolarHBondContact SD-CE1 3.15Å; M27-Y283 HydrophobicContact SD-CE2 4.24Å; M27-Y283 VanDerWaalsContact SD-CZ 3.54Å; M27-T333 HydrophobicContact CE-CG2 3.61Å; M27-T333 HydrophobicContact SD-CG2 3.93Å
28	L	25	Very low	26.2	Very low	98 Å²	98	130.1 Å²	130.1	51%	0.513	65%	0.645	S	S	.	*			trans	-79.7	79.4	156.5	-78.8	167.1	0	0	0	109	V30 L365 P371	L28-V30 PolarHBondContact O-N 2.95Å; L28-L365 HydrophobicContact CD1-CD1 3.99Å; L28-P371 HydrophobicContact CD1-CB 4.36Å
29	S	27.3	Very low	26.1	Very low	85 Å²	85	124.3 Å²	124.3	59%	0.594	64%	0.64	S	S	*	*			trans	-55.7	129.6	156.6	115.3	0	0	0	0	106.9	M27	M27-S29 VanDerWaalsContact C-N 3.31Å; M27-S29 PolarHBondContact O-N 3.16Å
30	V	29	Very low	26.5	Very low	37 Å²	37	122.6 Å²	122.6	22%	0.224	64%	0.637	C	S	.	*	S	Bend	trans	-59.3	156.8	161.6	-124.6	0	0	0	0	107.8	L28 F386	L28-V30 PolarHBondContact O-N 2.95Å; V30-F386 HydrophobicContact CG1-CZ 4.15Å; V30-F386 HydrophobicContact CG2-CE1 3.86Å; V30-F386 HydrophobicContact CG2-CZ 3.84Å
31	N	31.6	Very low	26.6	Very low	65 Å²	65	115.4 Å²	115.4	35%	0.348	62%	0.62	S	S	.	*			trans	88.3	83.8	169.7	-53.3	-20.8	0	0	0	117.5	N98	N31-N98 PolarHBondContact OD1-O 2.83Å
32	R	25.2	Very low	26.8	Very low	206 Å²	206	118.4 Å²	118.4	78%	0.777	63%	0.628	S	S	*	*			trans	-122.6	148.2	154	-79.8	-172.2	169.8	-145.5	-9.9	111.4	N98 G99	R32-N98 WeakPolarHBondContact O-CA 3.44Å; R32-N98 WeakPolarHBondContact O-CB 3.32Å; R32-N98 PolarHBondContact O-OD1 2.99Å; R32-G99 CarbonylContact C-O 3.6Å; R32-G99 VanDerWaalsContact CA-O 3.24Å; R32-G99 WeakPolarHBondContact CA-O 3.32Å; R32-G99 PolarHBondContact O-N 2.79Å
33	L	26.9	Very low	27.1	Very low	89 Å²	89	122.7 Å²	122.7	47%	0.466	63%	0.627	S	S	.	*			trans	-70.6	145.7	170.7	-85	163	0	0	0	109.2	K35 G99 Y100	L33-K35 PolarHBondContact O-N 3.18Å; L33-G99 PolarHBondContact N-O 3.01Å; L33-Y100 HydrophobicContact CD1-CE1 4.17Å
34	P	26.9	Very low	27.1	Very low	63 Å²	63	125 Å²	125	41%	0.409	63%	0.631	S	S	.	*			trans	-71.4	123.5	168.5	30.7	-28.2	0	0	0	108	H36	P34-H36 PolarHBondContact O-N 3.29Å
35	K	25.1	Very low	27.2	Very low	201 Å²	201	132 Å²	132	87%	0.874	64%	0.644	S	S	*	*			trans	-71.9	80	170.2	-76.1	-167.5	173.4	-168.3	0	109.9	L33 T37	L33-K35 PolarHBondContact O-N 3.18Å; K35-T37 PolarHBondContact O-N 2.92Å
36	H	29.2	Very low	27.3	Very low	137 Å²	137	125.9 Å²	125.9	63%	0.634	64%	0.638	S	S	*	*			trans	-78.5	95.7	161.3	-86.1	-72.5	0	0	0	109.1	P34 D38	P34-H36 PolarHBondContact O-N 3.29Å; H36-D38 PolarHBondContact O-N 3.45Å
37	T	24.7	Very low	27.2	Very low	118 Å²	118	125.5 Å²	125.5	72%	0.724	66%	0.656	S	S	*	*			trans	-76.9	93.8	165	47.6	0	0	0	0	109.2	K35	K35-T37 PolarHBondContact O-N 2.92Å
38	D	28.9	Very low	27.3	Very low	142 Å²	142	129.8 Å²	129.8	76%	0.759	68%	0.678	S	S	*	*			trans	-141.5	78.6	163.4	-82.6	-54.5	0	0	0	108.7	H36	H36-D38 PolarHBondContact O-N 3.45Å
39	S	25.2	Very low	27.2	Very low	111 Å²	111	130.3 Å²	130.3	78%	0.776	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-81.9	125.6	165.4	-57.7	0	0	0	0	108.6
40	P	31.3	Very low	27.3	Very low	116 Å²	116	134.4 Å²	134.4	75%	0.753	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-57.5	135.1	164.7	-20.7	32.6	0	0	0	109.2
41	P	27.6	Very low	27.2	Very low	93 Å²	93	135.9 Å²	135.9	60%	0.604	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-66.3	141.7	-178.5	26.6	-34.3	0	0	0	111	Y43	P41-Y43 HydrophobicContact CB-CE2 4.41Å; P41-Y43 HydrophobicContact CG-CD2 4.15Å; P41-Y43 HydrophobicContact CG-CE2 3.9Å; P41-Y43 PolarHBondContact O-N 2.69Å
42	P	28.6	Very low	27.1	Very low	126 Å²	126	138.9 Å²	138.9	82%	0.818	75%	0.75	S	S	*	*			trans	-75.6	90.6	-177.3	30.7	-35.1	0	0	0	111.2	Y44	P42-Y44 PolarHBondContact O-N 3.18Å
43	Y	28.5	Very low	27.4	Very low	211 Å²	211	139.2 Å²	139.2	83%	0.827	76%	0.757	S	S	*	*			trans	-76.8	88.5	171.7	-88.1	-75.6	0	0	0	111.7	P41 R45	P41-Y43 HydrophobicContact CB-CE2 4.41Å; P41-Y43 HydrophobicContact CG-CD2 4.15Å; P41-Y43 HydrophobicContact CG-CE2 3.9Å; P41-Y43 PolarHBondContact O-N 2.69Å; Y43-R45 PolarHBondContact O-N 3.32Å
44	Y	24.2	Very low	27.5	Very low	220 Å²	220	141 Å²	141	86%	0.863	78%	0.777	S	S	*	*			trans	-58.7	121.9	160.6	-118.2	-97.2	0	0	0	109.9	P42	P42-Y44 PolarHBondContact O-N 3.18Å
45	R	28.2	Very low	27.6	Very low	242 Å²	242	141.9 Å²	141.9	91%	0.913	80%	0.798	S	S	*	*			trans	-149.1	124.9	145.3	-116.6	174	-163.8	-139.5	1.2	112.8	Y43	Y43-R45 PolarHBondContact O-N 3.32Å
46	S	28.3	Very low	27.6	Very low	107 Å²	107	137.7 Å²	137.7	75%	0.748	79%	0.794	S	S	*	*			trans	-44.8	139	177.5	48.1	0	0	0	0	116.3
47	A	23.6	Very low	27.7	Very low	92 Å²	92	137.5 Å²	137.5	76%	0.76	80%	0.802	S	S	*	*			trans	-2.1	143.6	145.8	0	0	0	0	0	120.1
48	I	27.6	Very low	27.8	Very low	167 Å²	167	138.7 Å²	138.7	86%	0.856	80%	0.804	S	S	*	*				-147.3	148.5	120.9	-99.9	152.5	0	0	0	107.9
49	S	23.8	Very low	27.6	Very low	109 Å²	109	144.1 Å²	144.1	76%	0.762	81%	0.814	S	S	*	*			trans	-104.5	134.8	178.6	179.5	0	0	0	0	111
50	L	29.2	Very low	27.7	Very low	171 Å²	171	145.3 Å²	145.3	90%	0.895	81%	0.811	S	S	*	*			trans	-141.1	147.6	157.5	-82.1	-178.7	0	0	0	110.3
51	G	25.8	Very low	27.5	Very low	68 Å²	68	144.7 Å²	144.7	70%	0.701	81%	0.81	S	S	*	*			trans	-83.6	179.8	-169	0	0	0	0	0	116.2
52	P	30.2	Very low	27.4	Very low	128 Å²	128	145.7 Å²	145.7	83%	0.831	82%	0.819	S	S	*	*			trans	-87.1	156.1	-161.5	34.4	-37.3	0	0	0	114.9
53	K	31.9	Very low	27.6	Very low	212 Å²	212	147 Å²	147	92%	0.922	83%	0.825	S	S	*	*			trans	-137.2	148.4	153.7	-74.3	-166	175.8	-176.9	0	110.8
54	S	28.4	Very low	27.5	Very low	127 Å²	127	142 Å²	142	89%	0.888	82%	0.821	S	S	*	*			trans	-76.9	145.2	-178.3	50.8	0	0	0	0	113.2
55	G	30.1	Very low	27.6	Very low	82 Å²	82	136.3 Å²	136.3	85%	0.845	81%	0.813	S	S	*	*			trans	-171.2	113.8	168.3	0	0	0	0	0	111.4
56	S	24.9	Very low	27.7	Very low	112 Å²	112	132.6 Å²	132.6	78%	0.783	81%	0.811	S	S	*	*			trans	-108.2	125.5	-176.1	54.4	0	0	0	0	111.9
57	T	30.5	Very low	27.6	Very low	133 Å²	133	131.6 Å²	131.6	82%	0.816	82%	0.817	S	S	*	*			trans	-160.8	128.7	149.3	13.2	0	0	0	0	113.5
58	L	26.3	Very low	27.7	Very low	144 Å²	144	131 Å²	131	75%	0.754	82%	0.819	S	S	*	*			trans	1.6	129	145.2	-62.3	161.6	0	0	0	118.3
59	W	26	Very low	27.6	Very low	255 Å²	255	131 Å²	131	97%	0.966	82%	0.822	S	S	*	*			trans	-128.7	117.4	142.2	-94.4	71	0	0	0	108.5
60	N	27.8	Very low	27.9	Very low	137 Å²	137	132.9 Å²	132.9	73%	0.733	83%	0.828	S	S	*	*			trans	-109.5	147.2	176.8	-106.5	-7.6	0	0	0	110.4
61	S	26.2	Very low	27.8	Very low	103 Å²	103	129.3 Å²	129.3	72%	0.72	82%	0.817	S	S	*	*			trans	-6.3	156.3	162.3	-48.2	0	0	0	0	122
62	S	26.2	Very low	28.1	Very low	114 Å²	114	132.3 Å²	132.3	80%	0.797	82%	0.817	S	S	*	*			trans	90.9	122.5	149.4	-52	0	0	0	0	118.4
63	T	31.1	Very low	27.9	Very low	152 Å²	152	136 Å²	136	93%	0.933	81%	0.814	S	S	*	*				-152.8	154.1	123.8	20	0	0	0	0	109.2
64	S	26.3	Very low	27.9	Very low	108 Å²	108	134.3 Å²	134.3	76%	0.755	82%	0.815	S	S	*	*			trans	-130.1	172.4	-179	54.6	0	0	0	0	110.7
65	S	28.1	Very low	28	Very low	99 Å²	99	134.3 Å²	134.3	69%	0.692	80%	0.804	S	S	*	*			trans	89	139.1	151.9	84.1	0	0	0	0	120.4
66	L	29.6	Very low	27.9	Very low	165 Å²	165	135.8 Å²	135.8	86%	0.864	79%	0.793	S	S	*	*			trans	59.5	94.6	139.1	-64.2	164.7	0	0	0	120.7
67	G	25	Very low	28.2	Very low	86 Å²	86	138.9 Å²	138.9	89%	0.887	80%	0.8	S	S	*	*				68.6	128.8	105.3	0	0	0	0	0	121
68	G	27.3	Very low	28	Very low	78 Å²	78	139.5 Å²	139.5	80%	0.804	80%	0.798	S	S	*	*			trans	162.5	117.5	163.2	0	0	0	0	0	114.2
69	N	25.1	Very low	28.2	Very low	169 Å²	169	136.4 Å²	136.4	90%	0.904	80%	0.801	S	S	*	*			trans	-93.8	123.6	167.3	-80.8	-22.9	0	0	0	110
70	V	30.5	Very low	28.2	Very low	148 Å²	148	136 Å²	136	90%	0.897	80%	0.799	S	S	*	*			trans	-145.9	140.2	146.6	177.7	0	0	0	0	108.1
71	S	26.6	Very low	28.3	Very low	95 Å²	95	137.6 Å²	137.6	66%	0.664	81%	0.807	S	S	*	*			trans	-91.7	146.1	171.2	53.8	0	0	0	0	111.2
72	D	31.9	Very low	28.5	Very low	131 Å²	131	138 Å²	138	70%	0.701	81%	0.81	S	S	*	*				-163.1	165.9	119.5	-119.5	-36.3	0	0	0	116.2
73	R	26.7	Very low	28.4	Very low	206 Å²	206	140.3 Å²	140.3	78%	0.777	81%	0.805	S	S	*	*			trans	-48.1	152.3	-175.5	-45.7	120.4	-167.7	-102.3	-3.3	116.3
74	L	31.8	Very low	28.2	Very low	177 Å²	177	141.5 Å²	141.5	93%	0.927	81%	0.805	S	S	*	*				-144.2	147.5	126.3	-109.7	172.3	0	0	0	110
75	N	29.7	Very low	28	Very low	126 Å²	126	143.2 Å²	143.2	67%	0.674	80%	0.801	S	S	*	*			trans	-116.1	163.9	-164.3	-112.7	46.1	0	0	0	112.7
76	D	27.4	Very low	28	Very low	113 Å²	113	147 Å²	147	60%	0.604	81%	0.812	S	S	*	*			trans	55.2	122	152.5	-74.5	-68.5	0	0	0	120.9	N78	D76-N78 PolarHBondContact OD1-ND2 3.16Å
77	L	32.5	Very low	27.6	Very low	178 Å²	178	144 Å²	144	93%	0.932	81%	0.805	S	S	*	*				-152	124.3	126.1	-112.9	166	0	0	0	110.4
78	N	25.4	Very low	27.6	Very low	145 Å²	145	148.9 Å²	148.9	78%	0.775	81%	0.805	S	S	*	*			trans	-91.1	147.5	-175	-90.4	-87.6	0	0	0	112.3	D76	D76-N78 PolarHBondContact OD1-ND2 3.16Å
79	G	30.3	Very low	27.5	Very low	80 Å²	80	149.4 Å²	149.4	83%	0.825	80%	0.796	S	S	*	*			trans	-161	104.1	174.6	0	0	0	0	0	113.4
80	R	26	Very low	27.5	Very low	245 Å²	245	147.3 Å²	147.3	93%	0.925	79%	0.79	S	S	*	*			trans	-82	135.6	-178.2	-63.8	169.5	171.2	166.4	-5.4	112.4
81	I	30.7	Very low	27.2	Very low	172 Å²	172	145.4 Å²	145.4	88%	0.882	78%	0.783	S	S	*	*			trans	-135	148.3	144.8	-66.9	-170.4	0	0	0	109.5
82	S	29.4	Very low	27.2	Very low	112 Å²	112	145.6 Å²	145.6	78%	0.783	78%	0.784	S	S	*	*			trans	-82.4	157.4	-157.8	-50.2	0	0	0	0	117.2
83	K	25	Very low	26.9	Very low	161 Å²	161	144.7 Å²	144.7	70%	0.7	79%	0.788	S	S	*	*			trans	-6.2	138.4	153.7	-68.6	-172	164.5	-141.6	0	118.8	E85	K83-E85 IonicContact NZ-OE2 2.76Å; K83-E85 PolarHBondContact NZ-OE2 2.71Å
84	L	26.6	Very low	26.8	Very low	178 Å²	178	142 Å²	142	93%	0.932	78%	0.782	S	S	*	*				-143.8	138.8	117.4	-107.4	167.4	0	0	0	109.3
85	E	23	Very low	26.6	Very low	144 Å²	144	139 Å²	139	67%	0.673	76%	0.761	S	S	*	*			trans	-103.5	136.6	-177.4	-69.9	164.5	106.8	0	0	109.7	K83	K83-E85 IonicContact NZ-OE2 2.76Å; K83-E85 PolarHBondContact NZ-OE2 2.71Å
86	L	26.7	Very low	26.3	Very low	177 Å²	177	138.8 Å²	138.8	93%	0.927	76%	0.76	S	S	*	*			trans	-154.7	121	163.7	-114.8	162.5	0	0	0	109.4
87	S	22.7	Very low	26.3	Very low	102 Å²	102	136 Å²	136	71%	0.713	75%	0.749	S	S	*	*			trans	-104.2	124.2	-174.1	53.9	0	0	0	0	111.6
88	E	25.2	Very low	26	Very low	190 Å²	190	130.9 Å²	130.9	89%	0.888	72%	0.722	S	S	*	*			trans	175.3	146.8	159.3	-102.7	157.6	-151.6	0	0	106.6
89	S	25.3	Very low	26.2	Very low	88 Å²	88	124.1 Å²	124.1	62%	0.615	69%	0.687	S	S	*	*			cis	174.6	130.2	-17.4	47.8	0	0	0	0	104.4
90	T	24.2	Very low	26.1	Very low	126 Å²	126	123.5 Å²	123.5	77%	0.773	66%	0.66	S	S	*	*			trans	50	123.5	156.1	55.5	0	0	0	0	122
91	S	24.4	Very low	26	Very low	107 Å²	107	118.6 Å²	118.6	75%	0.748	65%	0.647	S	S	*	*			trans	51.8	117.9	143.2	61.3	0	0	0	0	121.5
92	S	26.1	Very low	25.8	Very low	100 Å²	100	113.9 Å²	113.9	70%	0.699	63%	0.627	S	S	*	*				-173.8	144.5	106.9	-101.4	0	0	0	0	113	K94	S92-K94 PolarHBondContact O-N 3.24Å
93	S	25.2	Very low	25.6	Very low	112 Å²	112	113.9 Å²	113.9	78%	0.783	62%	0.618	S	S	*	*			trans	-81.9	94.1	-174.7	-60.4	0	0	0	0	112.4	K95	S93-K95 PolarHBondContact O-N 3.31Å
94	K	25.8	Very low	25.8	Very low	148 Å²	148	113.8 Å²	113.8	64%	0.643	61%	0.614	S	S	*	*			trans	-74.4	78	-174.4	-70.1	-175.7	177.8	177.5	0	114.5	S92 L96	S92-K94 PolarHBondContact O-N 3.24Å; K94-L96 VanDerWaalsContact C-N 3.29Å; K94-L96 HydrophobicContact CB-CD1 3.95Å; K94-L96 PolarHBondContact O-N 2.82Å
95	K	26.9	Very low	25.6	Very low	114 Å²	114	113.9 Å²	113.9	50%	0.496	61%	0.607	S	S	.	*			trans	-74.6	65.5	170.8	-74	-175.8	174.8	177.4	0	113.3	S93 C97	S93-K95 PolarHBondContact O-N 3.31Å; K95-C97 PolarHBondContact O-N 2.63Å
96	L	24.4	Very low	25.7	Very low	122 Å²	122	112.1 Å²	112.1	64%	0.639	61%	0.609	S	S	*	*			trans	-62.2	127.3	174.3	-85.2	83	0	0	0	111.7	K94	K94-L96 VanDerWaalsContact C-N 3.29Å; K94-L96 HydrophobicContact CB-CD1 3.95Å; K94-L96 PolarHBondContact O-N 2.82Å
97	C	26.9	Very low	25.8	Very low	56 Å²	56	110.3 Å²	110.3	38%	0.378	60%	0.604	S	S	.	*			trans	-128.8	130.1	175.1	-67	0	0	0	0	109.9	K95 K400	K95-C97 PolarHBondContact O-N 2.63Å; C97-K400 PolarHBondContact SG-NZ 3.38Å
98	N	26.5	Very low	25.9	Very low	70 Å²	70	113.8 Å²	113.8	37%	0.374	61%	0.607	S	S	.	*			trans	-128.3	165.3	-152.1	-67.7	-10.8	0	0	0	114.7	N31 R32	N31-N98 PolarHBondContact OD1-O 2.83Å; R32-N98 WeakPolarHBondContact O-CA 3.44Å; R32-N98 WeakPolarHBondContact O-CB 3.32Å; R32-N98 PolarHBondContact O-OD1 2.99Å
99	G	29.4	Very low	25.8	Very low	2 Å²	2	111.4 Å²	111.4	2%	0.021	60%	0.6	C	S	.	*			trans	177.4	-150.7	172.6	0	0	0	0	0	111	R32 L33	R32-G99 CarbonylContact C-O 3.6Å; R32-G99 VanDerWaalsContact CA-O 3.24Å; R32-G99 WeakPolarHBondContact CA-O 3.32Å; R32-G99 PolarHBondContact O-N 2.79Å; L33-G99 PolarHBondContact N-O 3.01Å
100	Y	26.9	Very low	26	Very low	67 Å²	67	115.3 Å²	115.3	26%	0.263	61%	0.613	S	S	.	*			cis	138.5	4.3	9.6	25.1	-103.6	0	0	0	112.5	L33 R259	L33-Y100 HydrophobicContact CD1-CE1 4.17Å; Y100-R259 VanDerWaalsContact CE2-NE 3.31Å
101	H	24.8	Very low	26.1	Very low	142 Å²	142	118.4 Å²	118.4	66%	0.657	62%	0.619	S	S	*	*			trans	-107.6	120.5	156	-163.4	-86.9	0	0	0	108.4	D103	H101-D103 IonicContact CE1-OD1 3.34Å; H101-D103 PolarHBondContact CE1-OD1 3.45Å; H101-D103 IonicContact ND1-OD1 2.68Å; H101-D103 PolarHBondContact ND1-OD1 3.31Å; H101-D103 PolarHBondContact O-N 2.9Å
102	T	27.2	Very low	26.1	Very low	74 Å²	74	117.9 Å²	117.9	45%	0.454	62%	0.615	S	S	.	*			trans	-94.2	84.4	-173.7	36.1	0	0	0	0	111.7	Y104	T102-Y104 VanDerWaalsContact C-N 3.28Å; T102-Y104 PolarHBondContact O-N 3.37Å
103	D	25.3	Very low	26.3	Very low	112 Å²	112	121 Å²	121	60%	0.599	62%	0.622	S	S	*	*			trans	-67.7	85.1	170	-68	-4.6	0	0	0	109.9	H101 F105	H101-D103 IonicContact CE1-OD1 3.34Å; H101-D103 PolarHBondContact CE1-OD1 3.45Å; H101-D103 IonicContact ND1-OD1 2.68Å; H101-D103 PolarHBondContact ND1-OD1 3.31Å; H101-D103 PolarHBondContact O-N 2.9Å; D103-F105 PolarHBondContact O-N 3.48Å
104	Y	27.8	Very low	26.5	Very low	159 Å²	159	121.7 Å²	121.7	62%	0.624	62%	0.617	S	S	*	*			trans	-64.2	102.4	177.7	-102.6	-94.2	0	0	0	111	T102 P106	T102-Y104 VanDerWaalsContact C-N 3.28Å; T102-Y104 PolarHBondContact O-N 3.37Å; Y104-P106 WeakPolarHBondContact O-CD 3.37Å
105	F	23.2	Very low	26.4	Very low	179 Å²	179	125.4 Å²	125.4	79%	0.785	63%	0.627	S	S	*	*			trans	-67	124.3	164.8	-84.4	-92.7	0	0	0	109.6	D103 V107	D103-F105 PolarHBondContact O-N 3.48Å; F105-V107 PolarHBondContact O-N 2.96Å; F105-V107 VanDerWaalsContact O-N 3.1Å
106	P	25.4	Very low	26.5	Very low	108 Å²	108	128.9 Å²	128.9	70%	0.701	64%	0.637	S	S	*	*			trans	-73.1	106	175.5	28.9	-32.8	0	0	0	109.6	Y104 K108	Y104-P106 WeakPolarHBondContact O-CD 3.37Å; P106-K108 VanDerWaalsContact C-N 3.31Å; P106-K108 PolarHBondContact O-N 3.01Å
107	V	28	Very low	26.6	Very low	138 Å²	138	130.2 Å²	130.2	84%	0.836	64%	0.64	S	S	*	*			trans	-68.3	89.9	173.1	-177.5	0	0	0	0	109.2	F105	F105-V107 PolarHBondContact O-N 2.96Å; F105-V107 VanDerWaalsContact O-N 3.1Å
108	K	24.7	Very low	26.9	Very low	175 Å²	175	136.8 Å²	136.8	76%	0.761	66%	0.663	S	S	*	*			trans	-79.9	151.7	159.3	-69.1	-173	175.9	-176.1	0	109.1	P106	P106-K108 VanDerWaalsContact C-N 3.31Å; P106-K108 PolarHBondContact O-N 3.01Å
109	N	24.6	Very low	26.9	Very low	141 Å²	141	137.4 Å²	137.4	75%	0.754	67%	0.672	S	S	*	*			trans	74.8	76.8	172.1	-53.7	-1.2	0	0	0	116.3
110	L	28.1	Very low	26.9	Very low	170 Å²	170	145.5 Å²	145.5	89%	0.89	71%	0.71	S	S	*	*			trans	-138.5	77	134.3	-107	147.6	0	0	0	108.4
111	Q	25.8	Very low	27.2	Very low	190 Å²	190	149.3 Å²	149.3	89%	0.888	73%	0.733	S	S	*	*			trans	-96.2	95.5	171.4	-79.6	-173.5	-30.5	0	0	109.6
112	S	25.3	Very low	27.5	Very low	96 Å²	96	149 Å²	149	67%	0.671	74%	0.736	S	S	*	*			trans	-179.6	112.2	151.1	53.8	0	0	0	0	111
113	I	30.3	Very low	27.4	Very low	165 Å²	165	152.3 Å²	152.3	85%	0.846	75%	0.751	S	S	*	*	S	Bend		173.4	130.3	128	-88.5	155.2	0	0	0	107.3
114	D	28.8	Very low	27.8	Very low	128 Å²	128	153.2 Å²	153.2	68%	0.684	76%	0.761	S	S	*	*			trans	28.9	138.5	177.7	-95.8	-67.5	0	0	0	123.8	R116	D114-R116 IonicContact OD1-CZ 3.62Å; D114-R116 IonicContact OD1-NH2 3.13Å; D114-R116 PolarHBondContact OD1-NH2 3.22Å
115	R	25.2	Very low	28	Very low	226 Å²	226	152.2 Å²	152.2	85%	0.853	77%	0.767	S	S	*	*			trans	-118.9	140.8	163.2	-88.5	-179.7	159.1	-161.2	-5.6	108.3
116	R	27.8	Very low	28.2	Very low	187 Å²	187	149 Å²	149	71%	0.706	77%	0.766	S	S	*	*			trans	-179.2	160.2	145.7	-99	159.1	-71.7	167.9	0.9	111.1	D114	D114-R116 IonicContact OD1-CZ 3.62Å; D114-R116 IonicContact OD1-NH2 3.13Å; D114-R116 PolarHBondContact OD1-NH2 3.22Å
117	E	27.6	Very low	28.6	Very low	150 Å²	150	150 Å²	150	70%	0.701	78%	0.776	S	S	*	*			cis	-86.9	-99.7	-12.2	-146.5	67.4	-136.9	0	0	108.4
118	F	31.3	Very low	28.7	Very low	194 Å²	194	152.9 Å²	152.9	85%	0.851	78%	0.777	S	S	*	*			cis	-153	142.4	-25.5	-136.9	-55.5	0	0	0	107.3
119	S	28.1	Very low	29.1	Very low	82 Å²	82	152.7 Å²	152.7	57%	0.573	78%	0.784	S	S	*	*			trans	-93.6	172.4	172.9	24.3	0	0	0	0	111.5
120	E	27.8	Very low	29.4	Very low	172 Å²	172	151.1 Å²	151.1	80%	0.804	78%	0.784	S	S	*	*			cis	-155.3	169.5	-8.1	-106.8	146.7	-143.4	0	0	105.4
121	I	33.4	Very low	29.6	Very low	147 Å²	147	150.1 Å²	150.1	75%	0.754	79%	0.785	S	S	*	*				177.7	141.6	83.8	-83.1	177.7	0	0	0	108.3
122	N	31.1	Very low	29.9	Very low	135 Å²	135	152.5 Å²	152.5	72%	0.722	79%	0.786	S	S	*	*			trans	18.1	125.7	157.4	-55.5	-28.4	0	0	0	121.2
123	N	25.9	Very low	29.8	Very low	145 Å²	145	154 Å²	154	78%	0.775	80%	0.795	S	S	*	*				63	112.5	64.2	-76.4	-32	0	0	0	116.5
124	T	34.2	Very low	29.9	Very low	130 Å²	130	154.5 Å²	154.5	80%	0.798	80%	0.798	S	S	*	*				-175.1	141.1	109.7	22.9	0	0	0	0	114.4
125	N	31.8	Very low	29.9	Very low	139 Å²	139	155.7 Å²	155.7	74%	0.743	81%	0.805	S	S	*	*			trans	20.8	117.8	149.3	-55	-20.3	0	0	0	119.8
126	S	28	Very low	30.3	Very low	111 Å²	111	149.3 Å²	149.3	78%	0.776	80%	0.795	S	S	*	*				64.4	109.1	72.7	-71.2	0	0	0	0	117.1
127	S	32.7	Very low	30.3	Very low	129 Å²	129	146 Å²	146	90%	0.902	80%	0.8	S	S	*	*				-162.2	158.7	129	-88	0	0	0	0	112.1
128	K	30.8	Very low	30.6	Very low	198 Å²	198	146.4 Å²	146.4	86%	0.861	81%	0.806	S	S	*	*			trans	-92.5	150.6	-178.3	-56.7	165.9	-175.4	169.9	0	110.1
129	N	33	Very low	30.7	Very low	172 Å²	172	143 Å²	143	92%	0.92	80%	0.802	S	S	*	*			trans	-154.9	153	140.9	-114.9	-22.7	0	0	0	111.9
130	S	29.6	Very low	31	Very low	107 Å²	107	144.8 Å²	144.8	75%	0.748	81%	0.814	S	S	*	*			trans	-129.9	129.4	-173.4	57.1	0	0	0	0	111.3
131	V	32.8	Very low	31.4	Very low	149 Å²	149	142.3 Å²	142.3	90%	0.903	81%	0.813	S	S	*	*			trans	-134.2	147.4	162.7	-175.8	0	0	0	0	108.3
132	R	31.5	Very low	31.4	Very low	241 Å²	241	143.7 Å²	143.7	91%	0.909	82%	0.821	S	S	*	*			trans	-87.2	165.9	-178.7	-72.3	177.3	172	168.1	-3.7	111.8
133	C	24.7	Very low	31.7	Very low	128 Å²	128	148.8 Å²	148.8	87%	0.865	83%	0.83	S	S	*	*			trans	-57.1	150.1	174.8	-43.9	0	0	0	0	112.7
134	L	32	Very low	32.1	Very low	174 Å²	174	145.9 Å²	145.9	91%	0.911	83%	0.826	S	S	*	*			trans	-130.6	148.9	151.7	-104	163.8	0	0	0	108
135	D	27.7	Very low	32.2	Very low	154 Å²	154	146.1 Å²	146.1	82%	0.824	83%	0.827	S	S	*	*			trans	-95.8	136.8	-171.6	-171.6	10.8	0	0	0	110.9
136	S	34.5	Very low	32.5	Very low	92 Å²	92	145.8 Å²	145.8	64%	0.643	83%	0.83	S	S	*	*			trans	-160	107.6	171.3	64.4	0	0	0	0	110.8	L138	S136-L138 PolarHBondContact O-N 3.49Å
137	S	28.3	Very low	32.7	Very low	117 Å²	117	145.6 Å²	145.6	82%	0.818	83%	0.829	S	S	*	*			trans	-51.2	123.9	172.8	53.9	0	0	0	0	112.8
138	L	33.7	Very low	32.9	Very low	158 Å²	158	146.1 Å²	146.1	83%	0.827	82%	0.821	S	S	*	*			trans	-133.6	133.1	169.9	-97.6	158.7	0	0	0	110.9	S136	S136-L138 PolarHBondContact O-N 3.49Å
139	T	34.1	Very low	33	Very low	123 Å²	123	141.7 Å²	141.7	76%	0.755	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-62.7	139	-172.6	42.4	0	0	0	0	113.3	P141	T139-P141 VanDerWaalsContact O-CD 3.27Å; T139-P141 WeakPolarHBondContact O-CD 3.44Å
140	S	33.7	Very low	33.3	Very low	119 Å²	119	138.9 Å²	138.9	83%	0.832	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-59.5	120.2	170.7	-56.8	0	0	0	0	111.2
141	P	35.4	Very low	33.7	Very low	121 Å²	121	140.7 Å²	140.7	79%	0.786	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-69.1	133.8	170.3	-16.4	31.4	0	0	0	109.9	T139 R143	T139-P141 VanDerWaalsContact O-CD 3.27Å; T139-P141 WeakPolarHBondContact O-CD 3.44Å; P141-R143 PolarHBondContact O-N 3.33Å; P141-R143 VanDerWaalsContact O-N 3.09Å
142	L	33.1	Very low	34.3	Very low	176 Å²	176	136.3 Å²	136.3	92%	0.921	78%	0.778	S	S	*	*			trans	-60.7	113.6	168	-74.9	164.6	0	0	0	108.6	A144	L142-A144 PolarHBondContact O-N 3.18Å
143	R	37.3	Very low	35.4	Very low	241 Å²	241	128.2 Å²	128.2	91%	0.909	75%	0.751	S	S	*	*			trans	-71.5	95.9	179.4	-171.1	178	-171.9	176	2.8	109.2	P141 T145	P141-R143 PolarHBondContact O-N 3.33Å; P141-R143 VanDerWaalsContact O-N 3.09Å; R143-T145 PolarHBondContact O-N 2.85Å
144	A	36.2	Very low	36.7	Very low	84 Å²	84	128.9 Å²	128.9	69%	0.694	74%	0.741	S	S	*	*			trans	-50.6	130.5	175.5	0	0	0	0	0	110.9	L142 V146	L142-A144 PolarHBondContact O-N 3.18Å; A144-V146 PolarHBondContact O-N 3.33Å; A144-V146 VanDerWaalsContact O-N 3.08Å
145	T	34.5	Very low	38.1	Very low	135 Å²	135	123.8 Å²	123.8	83%	0.828	72%	0.72	S	S	*	*			trans	-71	100.4	176.5	46.1	0	0	0	0	109.5	R143 S147	R143-T145 PolarHBondContact O-N 2.85Å; T145-S147 PolarHBondContact O-N 2.76Å
146	V	39.4	Very low	40.3	Very low	133 Å²	133	118.5 Å²	118.5	81%	0.806	69%	0.689	S	S	*	*			trans	-67.2	100.9	165.8	179.3	0	0	0	0	107.4	A144 L148	A144-V146 PolarHBondContact O-N 3.33Å; A144-V146 VanDerWaalsContact O-N 3.08Å; V146-L148 PolarHBondContact O-N 3.45Å; V146-L148 VanDerWaalsContact O-N 3.17Å
147	S	32.1	Very low	42.1	Very low	107 Å²	107	118.1 Å²	118.1	75%	0.748	68%	0.676	S	S	*	*			trans	-68.7	106.7	175	50.6	0	0	0	0	109.7	T145	T145-S147 PolarHBondContact O-N 2.76Å
148	L	35.7	Very low	44.5	Very low	140 Å²	140	121.8 Å²	121.8	73%	0.733	67%	0.672	S	S	*	*			trans	-61	148.7	165.7	-74.2	164.4	0	0	0	109.9	V146 V150	V146-L148 PolarHBondContact O-N 3.45Å; V146-L148 VanDerWaalsContact O-N 3.17Å; L148-V150 PolarHBondContact O-N 3.25Å
149	P	33.3	Very low	47.3	Very low	104 Å²	104	114.2 Å²	114.2	68%	0.675	63%	0.633	S	S	*	*			trans	-66.2	122.9	-178.6	26.4	-33.5	0	0	0	110.8	N151	P149-N151 PolarHBondContact O-N 3.48Å
150	V	40	Very low	50.2	Low	114 Å²	114	108.4 Å²	108.4	69%	0.691	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-67.9	-5.7	-167.2	179.3	0	0	0	0	114.3	L148 S152	L148-V150 PolarHBondContact O-N 3.25Å; V150-S152 PolarHBondContact O-N 3.2Å
151	N	38.6	Very low	53.1	Low	145 Å²	145	104.1 Å²	104.1	78%	0.775	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-83.8	-3.7	-165.3	-68.7	8.6	0	0	0	116.1	P149	P149-N151 PolarHBondContact O-N 3.48Å
152	S	45.5	Very low	56.1	Low	56 Å²	56	98.3 Å²	98.3	39%	0.392	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-80.7	-32.4	-177.6	52	0	0	0	0	114.5	V150 H154 S155	V150-S152 PolarHBondContact O-N 3.2Å; S152-H154 VanDerWaalsContact C-N 3.33Å; S152-H154 PolarHBondContact O-N 3.27Å; S152-S155 PolarHBondContact O-OG 3.26Å
153	H	53	Low	59.2	Low	71 Å²	71	90 Å²	90	33%	0.329	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-68.6	-25.3	-169.7	-74.3	-84.3	0	0	0	114.6	S155 Y156 E188	H153-S155 PolarHBondContact O-N 3.36Å; H153-S155 VanDerWaalsContact O-N 3.13Å; H153-Y156 PolarHBondContact O-N 2.89Å; H153-Y156 VanDerWaalsContact O-N 3.16Å; H153-E188 IonicContact CE1-OE1 3.97Å
154	H	52.1	Low	62.1	Low	142 Å²	142	78.5 Å²	78.5	66%	0.657	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-64.7	-18.5	-177.2	-77.5	-45.5	0	0	0	114.3	S152 Y156 H157	S152-H154 VanDerWaalsContact C-N 3.33Å; S152-H154 PolarHBondContact O-N 3.27Å; H154-Y156 VanDerWaalsContact C-N 3.3Å; H154-Y156 PolarHBondContact O-N 2.88Å; H154-H157 AromaticContact CE1-NE2 3.98Å; H154-H157 AromaticContact ND1-CD2 3.68Å; H154-H157 AromaticContact ND1-NE2 3.12Å; H154-H157 PolarHBondContact ND1-NE2 2.88Å; H154-H157 VanDerWaalsContact ND1-NE2 3.12Å; H154-H157 PolarHBondContact O-CD2 2.9Å; H154-H157 VanDerWaalsContact O-CD2 3.3Å
155	S	62.5	Low	65.1	Low	68 Å²	68	77 Å²	77	48%	0.476	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-61.1	-37.7	174.5	-33.2	0	0	0	0	112.3	S152 H153 H157	S152-S155 PolarHBondContact O-OG 3.26Å; H153-S155 PolarHBondContact O-N 3.36Å; H153-S155 VanDerWaalsContact O-N 3.13Å; S155-H157 PolarHBondContact O-N 2.85Å
156	Y	73.2	Confident	68.1	Low	43 Å²	43	73.6 Å²	73.6	17%	0.169	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-82.6	-8.9	-165.5	-52.3	-53.3	0	0	0	114.5	H153 H154 R158 G159 L191	H153-Y156 PolarHBondContact O-N 2.89Å; H153-Y156 VanDerWaalsContact O-N 3.16Å; H154-Y156 VanDerWaalsContact C-N 3.3Å; H154-Y156 PolarHBondContact O-N 2.88Å; Y156-R158 PolarHBondContact O-N 2.86Å; Y156-G159 PolarHBondContact O-N 2.98Å; Y156-L191 HydrophobicContact CD1-CD1 3.94Å; Y156-L191 HydrophobicContact CE1-CB 4.44Å; Y156-L191 HydrophobicContact CE1-CD1 3.74Å
157	H	72.3	Confident	70.8	Confident	83 Å²	83	69.4 Å²	69.4	38%	0.384	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-61.3	-9.7	177.3	-64.1	-70.7	0	0	0	114.4	H154 S155 Y464 T465	H154-H157 AromaticContact CE1-NE2 3.98Å; H154-H157 AromaticContact ND1-CD2 3.68Å; H154-H157 AromaticContact ND1-NE2 3.12Å; H154-H157 PolarHBondContact ND1-NE2 2.88Å; H154-H157 VanDerWaalsContact ND1-NE2 3.12Å; H154-H157 PolarHBondContact O-CD2 2.9Å; H154-H157 VanDerWaalsContact O-CD2 3.3Å; S155-H157 PolarHBondContact O-N 2.85Å; H157-Y464 PolarHBondContact ND1-O 2.92Å; H157-T465 WeakPolarHBondContact O-CG2 3.37Å
158	R	78.5	Confident	73.7	Confident	194 Å²	194	65.7 Å²	65.7	73%	0.732	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-111.7	-7.5	175.3	-66.5	-174.9	178.4	-170.9	-0.2	114.4	Y156 P223	Y156-R158 PolarHBondContact O-N 2.86Å; R158-P223 HydrophobicContact CB-CB 4.12Å
159	G	92	Very high	76.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.331	C	S	.	.			trans	-85.1	176.9	179.1	0	0	0	0	0	113.1	Y156 L161 W221 N462	Y156-G159 PolarHBondContact O-N 2.98Å; G159-L161 VanDerWaalsContact C-N 3.31Å; G159-L161 PolarHBondContact O-N 3.27Å; G159-W221 VanDerWaalsContact O-CZ3 3.28Å; G159-W221 WeakPolarHBondContact O-CZ3 3.49Å; G159-N462 PolarHBondContact O-ND2 2.69Å; G159-N462 VanDerWaalsContact O-ND2 3.15Å
160	G	95.3	Very high	79.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	85.3	-1.7	174.1	0	0	0	0	0	114.6	I220 F471	G160-I220 VanDerWaalsContact CA-O 3.32Å; G160-I220 WeakPolarHBondContact CA-O 3.49Å; G160-I220 PolarHBondContact N-O 2.96Å; G160-F471 WeakPolarHBondContact O-CE1 3.28Å; G160-F471 WeakPolarHBondContact O-CZ 3.33Å
161	L	96.2	Very high	82.3	Confident	29 Å²	29	52.1 Å²	52.1	15%	0.152	27%	0.268	C	S	.	.			trans	-107.5	50	-176.9	-56.4	-175.3	0	0	0	111.6	G159 N227 H469 F471 V476	G159-L161 VanDerWaalsContact C-N 3.31Å; G159-L161 PolarHBondContact O-N 3.27Å; L161-N227 WeakPolarHBondContact O-CA 3.42Å; L161-N227 PolarHBondContact O-N 2.82Å; L161-H469 HydrophobicContact CD2-CB 4.45Å; L161-F471 HydrophobicContact CD2-CZ 4.41Å; L161-V476 HydrophobicContact CD2-CG1 4.48Å
162	V	97.7	Very high	85.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.233	C	C	.	.			trans	-122.1	128.6	-176.6	-175.3	0	0	0	0	109.7	Q178 I220 M225 T230	V162-Q178 PolarHBondContact O-NE2 2.89Å; V162-I220 HydrophobicContact CB-CG2 4.33Å; V162-I220 VanDerWaalsContact CG2-O 3.28Å; V162-I220 WeakPolarHBondContact CG2-O 3.39Å; V162-M225 HydrophobicContact CG2-CB 3.92Å; V162-M225 WeakPolarHBondContact CG2-O 3.34Å; V162-T230 HydrophobicContact CG1-CG2 4.31Å
163	G	98.3	Very high	87.6	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	162.5	176.9	0	0	0	0	0	113.2	S228 S229 T230 D473	G163-S228 PolarHBondContact N-O 2.92Å; G163-S229 CarbonylContact O-C 3.6Å; G163-S229 WeakPolarHBondContact O-CA 3.25Å; G163-S229 WeakPolarHBondContact O-CB 3.31Å; G163-T230 PolarHBondContact O-N 3.05Å; G163-D473 CarbonylContact C-O 3.49Å; G163-D473 WeakPolarHBondContact CA-O 3.32Å
164	L	98.7	Very high	89.8	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	118.2	174.6	-70.7	178.8	0	0	0	110.8	N166 N174 L177 Q178 L216 I220 T230 P232 D473 S474	L164-N166 PolarHBondContact O-N 2.93Å; L164-N174 HydrophobicContact CB-CB 3.99Å; L164-N174 HydrophobicContact CD1-CB 4.35Å; L164-N174 PolarHBondContact O-ND2 2.7Å; L164-N174 VanDerWaalsContact O-ND2 3.1Å; L164-L177 HydrophobicContact CD1-CB 3.63Å; L164-L177 HydrophobicContact CD1-CD1 4.03Å; L164-Q178 HydrophobicContact CD1-CG 4.22Å; L164-L216 HydrophobicContact CD2-CD1 3.99Å; L164-I220 HydrophobicContact CD1-CD1 4.39Å; L164-I220 HydrophobicContact CD2-CD1 4.07Å; L164-I220 HydrophobicContact CD2-CG1 4.32Å; L164-I220 HydrophobicContact CG-CD1 4.5Å; L164-T230 HydrophobicContact CD2-CG2 3.76Å; L164-P232 HydrophobicContact CB-CG 4.35Å; L164-P232 HydrophobicContact CD2-CB 4.26Å; L164-P232 HydrophobicContact CD2-CG 4.27Å; L164-D473 PolarHBondContact N-O 3.34Å; L164-D473 CarbonylContact O-C 3.56Å; L164-D473 WeakPolarHBondContact O-CA 2.97Å; L164-D473 WeakPolarHBondContact O-CB 3.34Å; L164-S474 PolarHBondContact O-N 2.79Å
165	N	98.4	Very high	92	Very high	54 Å²	54	33.3 Å²	33.3	29%	0.289	17%	0.17	S	C	.	.			trans	-61	135.4	-179.2	-72.3	-60.3	0	0	0	111.7	L167 N174 S229 T230	N165-L167 HydrophobicContact CB-CD2 4.5Å; N165-L167 PolarHBondContact O-N 3.1Å; N165-N174 PolarHBondContact O-ND2 2.72Å; N165-S229 PolarHBondContact OD1-OG 2.99Å; N165-T230 PolarHBondContact N-O 2.78Å; N165-T230 VanDerWaalsContact ND2-C 3.31Å; N165-T230 PolarHBondContact ND2-O 2.88Å
166	N	97.6	Very high	93.7	Very high	63 Å²	63	30.1 Å²	30.1	34%	0.337	15%	0.147	S	C	.	.			trans	-76.7	119.4	176	-164.7	-45.3	0	0	0	109.7	L164 G168 N169 T170 D473	L164-N166 PolarHBondContact O-N 2.93Å; N166-G168 VanDerWaalsContact C-N 3.29Å; N166-G168 PolarHBondContact O-N 3.21Å; N166-G168 PolarHBondContact OD1-N 2.86Å; N166-N169 PolarHBondContact OD1-N 3.09Å; N166-T170 PolarHBondContact OD1-N 2.85Å; N166-D473 HydrophobicContact CB-CB 4.24Å; N166-D473 WeakPolarHBondContact CB-OD2 3.25Å; N166-D473 PolarHBondContact ND2-OD2 3.28Å
167	L	96.4	Very high	94.9	Very high	44 Å²	44	28 Å²	28	23%	0.23	14%	0.139	C	C	.	.	S	Bend	trans	-95.9	24.2	-175.5	-52	179.3	0	0	0	112.2	N165 T170 M173 P232 S233 K236 Y249	N165-L167 HydrophobicContact CB-CD2 4.5Å; N165-L167 PolarHBondContact O-N 3.1Å; L167-T170 HydrophobicContact CB-CG2 3.89Å; L167-T170 PolarHBondContact N-OG1 3.02Å; L167-M173 HydrophobicContact CD1-CE 4.45Å; L167-P232 HydrophobicContact CD1-CG 4.08Å; L167-P232 HydrophobicContact CG-CG 4.47Å; L167-S233 VanDerWaalsContact CD1-CA 3.48Å; L167-K236 HydrophobicContact CD1-CB 4.39Å; L167-K236 HydrophobicContact CD1-CD 4.32Å; L167-Y249 WeakPolarHBondContact O-CD1 3.42Å; L167-Y249 WeakPolarHBondContact O-CE1 3.38Å
168	G	92.5	Very high	96.2	Very high	30 Å²	30	24.2 Å²	24.2	31%	0.309	12%	0.122	S	C	.	.	S	Bend	trans	97.8	96	-175.5	0	0	0	0	0	111.8	N166 T170	N166-G168 VanDerWaalsContact C-N 3.29Å; N166-G168 PolarHBondContact O-N 3.21Å; N166-G168 PolarHBondContact OD1-N 2.86Å; G168-T170 WeakPolarHBondContact O-CG2 3.37Å; G168-T170 PolarHBondContact O-N 3.08Å
169	N	94.5	Very high	97.2	Very high	66 Å²	66	15 Å²	15	35%	0.353	9%	0.087	S	C	.	.	S	Bend	trans	57.1	21	-174.5	-69.1	-58.3	0	0	0	115.1	N166 C171 F172 Y249 Q251	N166-N169 PolarHBondContact OD1-N 3.09Å; N169-C171 VanDerWaalsContact C-N 3.33Å; N169-C171 PolarHBondContact O-N 2.85Å; N169-F172 WeakPolarHBondContact O-CD1 3.39Å; N169-F172 VanDerWaalsContact O-CE1 3.25Å; N169-F172 WeakPolarHBondContact O-CE1 3.44Å; N169-Y249 WeakPolarHBondContact CB-O 3.29Å; N169-Y249 PolarHBondContact ND2-O 2.98Å; N169-Q251 HydrophobicContact CB-CG 3.82Å; N169-Q251 WeakPolarHBondContact OD1-CG 3.29Å; N169-Q251 PolarHBondContact OD1-NE2 3.35Å
170	T	97.1	Very high	97.5	Very high	3 Å²	3	15 Å²	15	2%	0.018	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	14.1	-174.9	70	0	0	0	0	114.9	N166 L167 G168 F172 M173 N174 K236	N166-T170 PolarHBondContact OD1-N 2.85Å; L167-T170 HydrophobicContact CB-CG2 3.89Å; L167-T170 PolarHBondContact N-OG1 3.02Å; G168-T170 WeakPolarHBondContact O-CG2 3.37Å; G168-T170 PolarHBondContact O-N 3.08Å; T170-F172 PolarHBondContact O-N 3.49Å; T170-M173 HydrophobicContact CG2-CE 4.46Å; T170-M173 WeakPolarHBondContact O-CA 3.15Å; T170-M173 WeakPolarHBondContact O-CB 3.21Å; T170-M173 PolarHBondContact O-N 3.19Å; T170-N174 PolarHBondContact O-N 2.88Å; T170-K236 HydrophobicContact CG2-CD 4.35Å
171	C	97.6	Very high	97.6	Very high	4 Å²	4	15 Å²	15	3%	0.027	9%	0.087	C	C	.	.	H	α-helix	trans	-60	-30.8	179.4	54.4	0	0	0	0	113	N169 M173 N174 S175 H455 Y456 D473	N169-C171 VanDerWaalsContact C-N 3.33Å; N169-C171 PolarHBondContact O-N 2.85Å; C171-M173 VanDerWaalsContact C-N 3.28Å; C171-M173 PolarHBondContact O-N 3.27Å; C171-N174 PolarHBondContact O-N 2.99Å; C171-S175 VanDerWaalsContact O-CB 3.28Å; C171-S175 WeakPolarHBondContact O-CB 3.33Å; C171-S175 PolarHBondContact O-N 2.84Å; C171-H455 WeakPolarHBondContact CB-CE1 3.28Å; C171-H455 WeakPolarHBondContact CB-ND1 3.42Å; C171-H455 PolarHBondContact SG-ND1 3.41Å; C171-Y456 WeakPolarHBondContact O-CB 3.39Å; C171-D473 WeakPolarHBondContact CA-OD1 3.43Å
172	F	97.1	Very high	97.7	Very high	11 Å²	11	13.8 Å²	13.8	5%	0.048	8%	0.08	C	C	.	.	H	α-helix	trans	-59.7	-38.1	172.1	71.6	-91.5	0	0	0	112.3	N169 T170 I176 F246 Q252 F257 Y456	N169-F172 WeakPolarHBondContact O-CD1 3.39Å; N169-F172 VanDerWaalsContact O-CE1 3.25Å; N169-F172 WeakPolarHBondContact O-CE1 3.44Å; T170-F172 PolarHBondContact O-N 3.49Å; F172-I176 WeakPolarHBondContact O-CG1 3.08Å; F172-I176 PolarHBondContact O-N 3.39Å; F172-F246 HydrophobicContact CE2-CD1 4.19Å; F172-F246 HydrophobicContact CZ-CD1 4.45Å; F172-Q252 WeakPolarHBondContact CB-O 3.17Å; F172-Q252 HydrophobicContact CD1-CB 3.86Å; F172-Q252 HydrophobicContact CD1-CG 4.34Å; F172-Q252 HydrophobicContact CD2-CB 3.84Å; F172-Q252 HydrophobicContact CE1-CB 3.74Å; F172-Q252 HydrophobicContact CE1-CG 3.74Å; F172-Q252 HydrophobicContact CE2-CB 3.74Å; F172-Q252 HydrophobicContact CE2-CG 4.09Å; F172-Q252 HydrophobicContact CG-CB 3.92Å; F172-Q252 HydrophobicContact CZ-CB 3.7Å; F172-Q252 HydrophobicContact CZ-CG 3.61Å; F172-F257 HydrophobicContact CD2-CB 3.79Å; F172-F257 HydrophobicContact CD2-CD1 4.25Å; F172-F257 HydrophobicContact CD2-CD2 4.24Å; F172-F257 AromaticContact CD2-CG 3.83Å; F172-F257 HydrophobicContact CD2-CG 3.83Å; F172-F257 HydrophobicContact CE2-CB 4.01Å; F172-F257 HydrophobicContact CE2-CD1 4.37Å; F172-F257 AromaticContact CE2-CD2 3.66Å; F172-F257 HydrophobicContact CE2-CD2 3.66Å; F172-F257 HydrophobicContact CE2-CE2 4.21Å; F172-F257 AromaticContact CE2-CG 3.74Å; F172-F257 HydrophobicContact CE2-CG 3.74Å; F172-Y456 HydrophobicContact CB-CD2 3.61Å; F172-Y456 HydrophobicContact CB-CE2 3.79Å; F172-Y456 HydrophobicContact CB-CG 4.18Å
173	M	98.4	Very high	97.8	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-74	-45.3	176.7	166.9	-177.4	89.6	0	0	110.2	L167 T170 C171 S175 I176 L177 P232 F235 K236 F257	L167-M173 HydrophobicContact CD1-CE 4.45Å; T170-M173 HydrophobicContact CG2-CE 4.46Å; T170-M173 WeakPolarHBondContact O-CA 3.15Å; T170-M173 WeakPolarHBondContact O-CB 3.21Å; T170-M173 PolarHBondContact O-N 3.19Å; C171-M173 VanDerWaalsContact C-N 3.28Å; C171-M173 PolarHBondContact O-N 3.27Å; M173-S175 PolarHBondContact O-N 3.21Å; M173-I176 PolarHBondContact O-N 2.97Å; M173-L177 HydrophobicContact CE-CD1 4.46Å; M173-L177 HydrophobicContact CG-CD1 3.61Å; M173-L177 HydrophobicContact CG-CG 4.25Å; M173-L177 WeakPolarHBondContact O-CB 3.11Å; M173-L177 VanDerWaalsContact O-CG 3.31Å; M173-L177 WeakPolarHBondContact O-CG 3.16Å; M173-L177 PolarHBondContact O-N 3.45Å; M173-L177 HydrophobicContact SD-CD1 4.36Å; M173-P232 HydrophobicContact CE-CB 3.81Å; M173-P232 HydrophobicContact CE-CG 3.53Å; M173-F235 HydrophobicContact SD-CD1 4.25Å; M173-K236 HydrophobicContact CE-CB 4.27Å; M173-K236 HydrophobicContact CE-CG 4.49Å; M173-K236 HydrophobicContact SD-CB 4.12Å; M173-K236 HydrophobicContact SD-CG 4.15Å; M173-F257 HydrophobicContact CB-CD1 4.2Å; M173-F257 HydrophobicContact CB-CE1 3.66Å; M173-F257 HydrophobicContact CB-CE2 4.43Å; M173-F257 HydrophobicContact CB-CZ 3.79Å; M173-F257 HydrophobicContact CG-CE1 3.57Å; M173-F257 HydrophobicContact CG-CE2 4.42Å; M173-F257 HydrophobicContact CG-CZ 3.48Å; M173-F257 VanDerWaalsContact CG-CZ 3.48Å; M173-F257 HydrophobicContact SD-CZ 4.09Å
174	N	98.6	Very high	97.7	Very high	3 Å²	3	14.9 Å²	14.9	2%	0.016	9%	0.09	C	C	.	.	H	α-helix	trans	-62.4	-44.2	-178.6	-65.4	-9.9	0	0	0	111.3	L164 N165 T170 C171 I176 L177 Q178 D473	L164-N174 HydrophobicContact CB-CB 3.99Å; L164-N174 HydrophobicContact CD1-CB 4.35Å; L164-N174 PolarHBondContact O-ND2 2.7Å; L164-N174 VanDerWaalsContact O-ND2 3.1Å; N165-N174 PolarHBondContact O-ND2 2.72Å; T170-N174 PolarHBondContact O-N 2.88Å; C171-N174 PolarHBondContact O-N 2.99Å; N174-I176 PolarHBondContact O-N 2.87Å; N174-L177 PolarHBondContact O-N 3.04Å; N174-Q178 VanDerWaalsContact O-CG 3.29Å; N174-Q178 WeakPolarHBondContact O-CG 3.47Å; N174-Q178 PolarHBondContact O-N 2.88Å; N174-D473 WeakPolarHBondContact CB-OD1 3.48Å; N174-D473 PolarHBondContact ND2-OD1 2.93Å
175	S	98.7	Very high	97.7	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-55.1	-50.7	173.8	175.2	0	0	0	0	112.1	C171 M173 Q178 C179 S445 T457 A458	C171-S175 VanDerWaalsContact O-CB 3.28Å; C171-S175 WeakPolarHBondContact O-CB 3.33Å; C171-S175 PolarHBondContact O-N 2.84Å; M173-S175 PolarHBondContact O-N 3.21Å; S175-Q178 PolarHBondContact O-N 3.01Å; S175-C179 PolarHBondContact O-N 3.21Å; S175-C179 VanDerWaalsContact O-N 3.08Å; S175-C179 PolarHBondContact O-SG 3.4Å; S175-S445 WeakPolarHBondContact OG-CB 3.29Å; S175-S445 PolarHBondContact OG-OG 2.95Å; S175-T457 WeakPolarHBondContact CB-O 3.46Å; S175-T457 PolarHBondContact OG-O 2.78Å; S175-A458 WeakPolarHBondContact O-CB 3.35Å
176	I	98.8	Very high	97.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.5	-40.2	179.4	-67.7	-59	0	0	0	112.5	F172 M173 N174 Q178 C179 L180 S254 F257 L258 F493	F172-I176 WeakPolarHBondContact O-CG1 3.08Å; F172-I176 PolarHBondContact O-N 3.39Å; M173-I176 PolarHBondContact O-N 2.97Å; N174-I176 PolarHBondContact O-N 2.87Å; I176-Q178 VanDerWaalsContact C-N 3.3Å; I176-Q178 PolarHBondContact O-N 3.03Å; I176-C179 PolarHBondContact O-N 3.22Å; I176-L180 HydrophobicContact CG2-CD1 3.84Å; I176-L180 HydrophobicContact CG2-CG 4.28Å; I176-L180 WeakPolarHBondContact O-CB 3.38Å; I176-L180 WeakPolarHBondContact O-CG 3.4Å; I176-L180 PolarHBondContact O-N 2.79Å; I176-S254 WeakPolarHBondContact CD1-O 3.4Å; I176-S254 WeakPolarHBondContact CG1-O 3.4Å; I176-F257 HydrophobicContact CB-CD1 4.08Å; I176-F257 HydrophobicContact CB-CE1 4.49Å; I176-F257 HydrophobicContact CG1-CD1 4.33Å; I176-F257 HydrophobicContact CG2-CD1 4.12Å; I176-F257 HydrophobicContact CG2-CE1 4.43Å; I176-L258 HydrophobicContact CD1-CB 4Å; I176-L258 HydrophobicContact CD1-CD2 4.41Å; I176-L258 HydrophobicContact CG1-CB 4.33Å; I176-L258 HydrophobicContact CG2-CB 4.01Å; I176-L258 HydrophobicContact CG2-CD1 3.8Å; I176-L258 HydrophobicContact CG2-CG 4.49Å; I176-F493 HydrophobicContact CD1-CE2 4.42Å; I176-F493 HydrophobicContact CD1-CZ 4.17Å
177	L	98.9	Very high	97.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.6	-37	176.7	-75.5	171.1	0	0	0	112	L164 M173 N174 L180 S181 Y213 L216 P232 F235	L164-L177 HydrophobicContact CD1-CB 3.63Å; L164-L177 HydrophobicContact CD1-CD1 4.03Å; M173-L177 HydrophobicContact CE-CD1 4.46Å; M173-L177 HydrophobicContact CG-CD1 3.61Å; M173-L177 HydrophobicContact CG-CG 4.25Å; M173-L177 WeakPolarHBondContact O-CB 3.11Å; M173-L177 VanDerWaalsContact O-CG 3.31Å; M173-L177 WeakPolarHBondContact O-CG 3.16Å; M173-L177 PolarHBondContact O-N 3.45Å; M173-L177 HydrophobicContact SD-CD1 4.36Å; N174-L177 PolarHBondContact O-N 3.04Å; L177-L180 PolarHBondContact O-N 2.61Å; L177-S181 WeakPolarHBondContact O-CB 3.24Å; L177-S181 PolarHBondContact O-N 2.94Å; L177-Y213 HydrophobicContact CD2-CD2 4.06Å; L177-Y213 HydrophobicContact CD2-CE2 3.87Å; L177-L216 HydrophobicContact CD1-CD2 3.93Å; L177-L216 HydrophobicContact CD2-CD2 4.38Å; L177-P232 HydrophobicContact CD1-CB 4.15Å; L177-F235 HydrophobicContact CD1-CD1 3.85Å; L177-F235 HydrophobicContact CD1-CE1 4.01Å; L177-F235 HydrophobicContact CD2-CD1 4.06Å; L177-F235 HydrophobicContact CD2-CE1 3.67Å; L177-F235 HydrophobicContact CD2-CZ 4.08Å; L177-F235 HydrophobicContact CG-CD1 4.49Å; L177-F235 HydrophobicContact CG-CE1 4.21Å
178	Q	98.7	Very high	97.7	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.009	7%	0.067	C	C	.	.	H	α-helix	trans	-71.2	-36.6	175.3	-64.8	-69.4	14.2	0	0	112.5	V162 L164 N174 S175 I176 N182 A458 F471	V162-Q178 PolarHBondContact O-NE2 2.89Å; L164-Q178 HydrophobicContact CD1-CG 4.22Å; N174-Q178 VanDerWaalsContact O-CG 3.29Å; N174-Q178 WeakPolarHBondContact O-CG 3.47Å; N174-Q178 PolarHBondContact O-N 2.88Å; S175-Q178 PolarHBondContact O-N 3.01Å; I176-Q178 VanDerWaalsContact C-N 3.3Å; I176-Q178 PolarHBondContact O-N 3.03Å; Q178-N182 PolarHBondContact O-N 3.09Å; Q178-N182 PolarHBondContact O-ND2 2.81Å; Q178-A458 HydrophobicContact CB-CB 3.91Å; Q178-F471 HydrophobicContact CB-CB 4.17Å; Q178-F471 HydrophobicContact CB-CD1 4.42Å; Q178-F471 HydrophobicContact CB-CG 4.13Å; Q178-F471 HydrophobicContact CG-CB 3.8Å; Q178-F471 HydrophobicContact CG-CD1 3.91Å; Q178-F471 HydrophobicContact CG-CG 3.93Å; Q178-F471 VanDerWaalsContact NE2-CD1 3.33Å
179	C	98.9	Very high	98	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.4	-43.5	172	-62.7	0	0	0	0	112.1	S175 I176 N182 T183 A443 F493	S175-C179 PolarHBondContact O-N 3.21Å; S175-C179 VanDerWaalsContact O-N 3.08Å; S175-C179 PolarHBondContact O-SG 3.4Å; I176-C179 PolarHBondContact O-N 3.22Å; C179-N182 PolarHBondContact O-N 3.35Å; C179-T183 PolarHBondContact O-N 2.75Å; C179-T183 PolarHBondContact O-OG1 3.19Å; C179-A443 HydrophobicContact CB-CB 3.78Å; C179-F493 HydrophobicContact CB-CD1 4.33Å; C179-F493 HydrophobicContact CB-CD2 3.71Å; C179-F493 HydrophobicContact CB-CE1 4.07Å; C179-F493 HydrophobicContact CB-CE2 3.41Å; C179-F493 VanDerWaalsContact CB-CE2 3.41Å; C179-F493 HydrophobicContact CB-CG 4.17Å; C179-F493 HydrophobicContact CB-CZ 3.6Å
180	L	98.8	Very high	98.2	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-71.5	-34.5	177.8	-68.1	174.5	0	0	0	112.8	I176 L177 N182 T183 L186 Y213 L258 V261 L262 F314 F493	I176-L180 HydrophobicContact CG2-CD1 3.84Å; I176-L180 HydrophobicContact CG2-CG 4.28Å; I176-L180 WeakPolarHBondContact O-CB 3.38Å; I176-L180 WeakPolarHBondContact O-CG 3.4Å; I176-L180 PolarHBondContact O-N 2.79Å; L177-L180 PolarHBondContact O-N 2.61Å; L180-N182 VanDerWaalsContact C-N 3.26Å; L180-N182 PolarHBondContact O-N 2.68Å; L180-T183 WeakPolarHBondContact CA-OG1 3.42Å; L180-T183 WeakPolarHBondContact O-CB 3.39Å; L180-T183 PolarHBondContact O-N 3.13Å; L180-T183 PolarHBondContact O-OG1 2.99Å; L180-L186 HydrophobicContact CB-CD2 4.39Å; L180-L186 HydrophobicContact CD2-CD2 4.18Å; L180-Y213 WeakPolarHBondContact CB-OH 3.47Å; L180-L258 HydrophobicContact CD1-CD1 4.03Å; L180-L258 HydrophobicContact CD2-CD1 3.95Å; L180-L258 HydrophobicContact CG-CD1 4.18Å; L180-V261 HydrophobicContact CD1-CG1 3.71Å; L180-L262 HydrophobicContact CD2-CD2 4.15Å; L180-F314 HydrophobicContact CD2-CE1 4.18Å; L180-F314 HydrophobicContact CD2-CZ 3.79Å; L180-F493 HydrophobicContact CD2-CE1 4.18Å
181	S	98.5	Very high	98.1	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-64.2	-29.3	174.2	179.7	0	0	0	0	112.9	L177 T183 T187 I220 W221	L177-S181 WeakPolarHBondContact O-CB 3.24Å; L177-S181 PolarHBondContact O-N 2.94Å; S181-T183 VanDerWaalsContact C-N 3.34Å; S181-T187 PolarHBondContact O-OG1 2.99Å; S181-I220 WeakPolarHBondContact OG-CG2 3.44Å; S181-W221 PolarHBondContact O-NE1 2.83Å; S181-W221 VanDerWaalsContact O-NE1 3.13Å; S181-W221 PolarHBondContact OG-NE1 3.07Å
182	N	98.4	Very high	98.1	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.021	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	1.4	172.7	-72.8	-91.5	0	0	0	112.9	Q178 C179 L180 A184 Y442 C460 L461	Q178-N182 PolarHBondContact O-N 3.09Å; Q178-N182 PolarHBondContact O-ND2 2.81Å; C179-N182 PolarHBondContact O-N 3.35Å; L180-N182 VanDerWaalsContact C-N 3.26Å; L180-N182 PolarHBondContact O-N 2.68Å; N182-A184 VanDerWaalsContact C-N 3.25Å; N182-A184 PolarHBondContact O-N 2.76Å; N182-Y442 HydrophobicContact CB-CD2 4.32Å; N182-Y442 WeakPolarHBondContact O-CD2 3.12Å; N182-Y442 WeakPolarHBondContact O-CE2 3.39Å; N182-C460 HydrophobicContact CB-CB 3.94Å; N182-C460 WeakPolarHBondContact ND2-CB 3.18Å; N182-L461 PolarHBondContact OD1-O 2.92Å
183	T	98.6	Very high	98.2	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.006	7%	0.069	C	C	.	.			trans	-77.1	75.3	169.5	-50.3	0	0	0	0	109.8	C179 L180 S181 P185 L186 T187 F314 I394 Y442	C179-T183 PolarHBondContact O-N 2.75Å; C179-T183 PolarHBondContact O-OG1 3.19Å; L180-T183 WeakPolarHBondContact CA-OG1 3.42Å; L180-T183 WeakPolarHBondContact O-CB 3.39Å; L180-T183 PolarHBondContact O-N 3.13Å; L180-T183 PolarHBondContact O-OG1 2.99Å; S181-T183 VanDerWaalsContact C-N 3.34Å; T183-P185 VanDerWaalsContact C-CD 3.47Å; T183-P185 HydrophobicContact CG2-CG 4.48Å; T183-P185 WeakPolarHBondContact O-CD 3.36Å; T183-L186 HydrophobicContact CG2-CB 4Å; T183-L186 WeakPolarHBondContact O-CA 2.77Å; T183-L186 WeakPolarHBondContact O-CB 3.34Å; T183-L186 PolarHBondContact O-N 3.16Å; T183-T187 PolarHBondContact O-N 3.14Å; T183-T187 VanDerWaalsContact O-N 3.13Å; T183-T187 PolarHBondContact O-OG1 3.37Å; T183-F314 HydrophobicContact CG2-CZ 3.98Å; T183-I394 HydrophobicContact CG2-CD1 3.85Å; T183-I394 HydrophobicContact CG2-CG1 3.77Å; T183-I394 HydrophobicContact CG2-CG2 4.21Å; T183-Y442 WeakPolarHBondContact CG2-OH 3.42Å; T183-Y442 WeakPolarHBondContact OG1-CE2 3.36Å; T183-Y442 PolarHBondContact OG1-OH 2.72Å
184	A	97.1	Very high	98.1	Very high	23 Å²	23	16.2 Å²	16.2	19%	0.19	8%	0.082	C	C	.	.	H	α-helix	trans	-32.1	-55.7	-173.6	0	0	0	0	0	116.6	N182 L186 T187 E188 P463	N182-A184 VanDerWaalsContact C-N 3.25Å; N182-A184 PolarHBondContact O-N 2.76Å; A184-L186 VanDerWaalsContact C-N 3.31Å; A184-L186 PolarHBondContact O-N 3.24Å; A184-T187 WeakPolarHBondContact O-CB 3.39Å; A184-T187 PolarHBondContact O-N 3.09Å; A184-T187 VanDerWaalsContact O-N 3.13Å; A184-E188 WeakPolarHBondContact O-CB 3.22Å; A184-E188 VanDerWaalsContact O-CG 3.27Å; A184-E188 WeakPolarHBondContact O-CG 3.33Å; A184-E188 PolarHBondContact O-N 2.7Å; A184-P463 HydrophobicContact CB-CB 3.81Å; A184-P463 HydrophobicContact CB-CG 4.14Å
185	P	97.6	Very high	98.1	Very high	27 Å²	27	16.1 Å²	16.1	18%	0.175	8%	0.081	C	C	.	.	H	α-helix	trans	-68.9	-23	-177.4	29.6	-38.6	0	0	0	114.8	T183 Y189 L313 I394	T183-P185 VanDerWaalsContact C-CD 3.47Å; T183-P185 HydrophobicContact CG2-CG 4.48Å; T183-P185 WeakPolarHBondContact O-CD 3.36Å; P185-Y189 WeakPolarHBondContact O-CB 3.29Å; P185-Y189 PolarHBondContact O-N 2.96Å; P185-L313 HydrophobicContact CB-CD1 4.37Å; P185-L313 HydrophobicContact CB-CD2 3.83Å; P185-L313 HydrophobicContact CG-CD1 4.27Å; P185-L313 HydrophobicContact CG-CD2 3.68Å; P185-I394 HydrophobicContact CG-CD1 4.35Å
186	L	98.4	Very high	98	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-77.5	-39.5	171.5	175.2	62.1	0	0	0	110.6	L180 T183 A184 Y189 C190 Y213 I310 L313 F314	L180-L186 HydrophobicContact CB-CD2 4.39Å; L180-L186 HydrophobicContact CD2-CD2 4.18Å; T183-L186 HydrophobicContact CG2-CB 4Å; T183-L186 WeakPolarHBondContact O-CA 2.77Å; T183-L186 WeakPolarHBondContact O-CB 3.34Å; T183-L186 PolarHBondContact O-N 3.16Å; A184-L186 VanDerWaalsContact C-N 3.31Å; A184-L186 PolarHBondContact O-N 3.24Å; L186-Y189 WeakPolarHBondContact O-CB 3.37Å; L186-Y189 PolarHBondContact O-N 2.82Å; L186-C190 PolarHBondContact O-N 2.66Å; L186-C190 PolarHBondContact O-SG 2.79Å; L186-Y213 HydrophobicContact CD2-CE1 4.43Å; L186-Y213 WeakPolarHBondContact CD2-OH 3.18Å; L186-Y213 HydrophobicContact CG-CE1 4.36Å; L186-I310 HydrophobicContact CD1-CD1 3.5Å; L186-I310 VanDerWaalsContact CD1-CD1 3.5Å; L186-L313 HydrophobicContact CB-CD1 4.01Å; L186-F314 HydrophobicContact CD2-CE2 4.13Å; L186-F314 HydrophobicContact CD2-CZ 4.24Å
187	T	98	Very high	97.9	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-64.7	-49.6	175.8	-52.4	0	0	0	0	110.6	S181 T183 A184 Y189 C190 L191 W221	S181-T187 PolarHBondContact O-OG1 2.99Å; T183-T187 PolarHBondContact O-N 3.14Å; T183-T187 VanDerWaalsContact O-N 3.13Å; T183-T187 PolarHBondContact O-OG1 3.37Å; A184-T187 WeakPolarHBondContact O-CB 3.39Å; A184-T187 PolarHBondContact O-N 3.09Å; A184-T187 VanDerWaalsContact O-N 3.13Å; T187-Y189 VanDerWaalsContact C-N 3.3Å; T187-Y189 PolarHBondContact O-N 2.92Å; T187-C190 CarbonylContact O-C 3.51Å; T187-C190 WeakPolarHBondContact O-CA 3.11Å; T187-C190 WeakPolarHBondContact O-CB 3.13Å; T187-C190 PolarHBondContact O-N 2.97Å; T187-L191 HydrophobicContact CG2-CD1 3.84Å; T187-L191 HydrophobicContact CG2-CG 4.11Å; T187-L191 WeakPolarHBondContact O-CG 3.04Å; T187-L191 PolarHBondContact O-N 2.91Å; T187-W221 VanDerWaalsContact CG2-CD1 3.4Å; T187-W221 HydrophobicContact CG2-CD2 4.14Å; T187-W221 HydrophobicContact CG2-CG 3.93Å; T187-W221 VanDerWaalsContact CG2-NE1 3.29Å
188	E	97.2	Very high	97.8	Very high	41 Å²	41	27.6 Å²	27.6	19%	0.192	14%	0.136	C	C	.	.	H	α-helix	trans	-55.7	-43.7	174.8	-71.4	163.9	167.2	0	0	111.2	H153 A184 C190 L191 E192 Y464	H153-E188 IonicContact CE1-OE1 3.97Å; A184-E188 WeakPolarHBondContact O-CB 3.22Å; A184-E188 VanDerWaalsContact O-CG 3.27Å; A184-E188 WeakPolarHBondContact O-CG 3.33Å; A184-E188 PolarHBondContact O-N 2.7Å; E188-C190 PolarHBondContact O-N 2.71Å; E188-C190 VanDerWaalsContact O-N 3.12Å; E188-L191 PolarHBondContact O-N 3.05Å; E188-E192 WeakPolarHBondContact O-CB 3.04Å; E188-E192 WeakPolarHBondContact O-CG 3.23Å; E188-E192 PolarHBondContact O-N 3.33Å; E188-Y464 VanDerWaalsContact CD-OH 3.31Å; E188-Y464 VanDerWaalsContact CG-OH 3.25Å; E188-Y464 WeakPolarHBondContact CG-OH 3.35Å; E188-Y464 PolarHBondContact OE1-OH 2.68Å
189	Y	97.9	Very high	97.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.9	-24.6	174.1	-177.5	-113.8	0	0	0	114.3	P185 L186 T187 R194 F195 D198 F210 V269 E309	P185-Y189 WeakPolarHBondContact O-CB 3.29Å; P185-Y189 PolarHBondContact O-N 2.96Å; L186-Y189 WeakPolarHBondContact O-CB 3.37Å; L186-Y189 PolarHBondContact O-N 2.82Å; T187-Y189 VanDerWaalsContact C-N 3.3Å; T187-Y189 PolarHBondContact O-N 2.92Å; Y189-R194 HydrophobicContact CD2-CB 3.48Å; Y189-R194 VanDerWaalsContact CD2-CB 3.48Å; Y189-R194 HydrophobicContact CE2-CB 3.89Å; Y189-R194 HydrophobicContact CG-CB 4.38Å; Y189-R194 PolarHBondContact O-N 2.71Å; Y189-F195 HydrophobicContact CD1-CB 3.93Å; Y189-F195 HydrophobicContact CE1-CB 3.47Å; Y189-F195 VanDerWaalsContact CE1-CB 3.47Å; Y189-F195 HydrophobicContact CE2-CB 4.4Å; Y189-F195 PolarHBondContact O-N 3.04Å; Y189-D198 WeakPolarHBondContact CE2-OD2 3.4Å; Y189-D198 VanDerWaalsContact OH-CB 3.32Å; Y189-D198 WeakPolarHBondContact OH-CB 3.32Å; Y189-D198 PolarHBondContact OH-OD2 2.8Å; Y189-F210 HydrophobicContact CD1-CE1 4.36Å; Y189-F210 AromaticContact CD1-CZ 3.88Å; Y189-F210 HydrophobicContact CD1-CZ 3.88Å; Y189-F210 HydrophobicContact CE1-CE1 4.28Å; Y189-F210 HydrophobicContact CE1-CE2 4.34Å; Y189-F210 AromaticContact CE1-CZ 3.67Å; Y189-F210 HydrophobicContact CE1-CZ 3.67Å; Y189-V269 HydrophobicContact CE1-CG2 4.42Å; Y189-E309 HydrophobicContact CD1-CB 4.21Å; Y189-E309 HydrophobicContact CD1-CG 4.21Å; Y189-E309 HydrophobicContact CD2-CB 4.21Å; Y189-E309 HydrophobicContact CD2-CG 3.74Å; Y189-E309 HydrophobicContact CE1-CB 3.76Å; Y189-E309 HydrophobicContact CE1-CG 4.23Å; Y189-E309 HydrophobicContact CE2-CB 3.78Å; Y189-E309 HydrophobicContact CE2-CG 3.77Å; Y189-E309 HydrophobicContact CG-CB 4.4Å; Y189-E309 HydrophobicContact CG-CG 3.95Å
190	C	98.2	Very high	97.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-89.7	-43	174.5	-59.8	0	0	0	0	113.1	L186 T187 E188 D193 A214 M217 K218	L186-C190 PolarHBondContact O-N 2.66Å; L186-C190 PolarHBondContact O-SG 2.79Å; T187-C190 CarbonylContact O-C 3.51Å; T187-C190 WeakPolarHBondContact O-CA 3.11Å; T187-C190 WeakPolarHBondContact O-CB 3.13Å; T187-C190 PolarHBondContact O-N 2.97Å; E188-C190 PolarHBondContact O-N 2.71Å; E188-C190 VanDerWaalsContact O-N 3.12Å; C190-D193 PolarHBondContact O-N 3.06Å; C190-A214 HydrophobicContact CB-CB 3.92Å; C190-M217 HydrophobicContact CB-CB 4.04Å; C190-M217 HydrophobicContact CB-CG 4.18Å; C190-K218 VanDerWaalsContact O-CE 3.27Å; C190-K218 WeakPolarHBondContact O-CE 3.38Å
191	L	96.7	Very high	97.4	Very high	23 Å²	23	37.2 Å²	37.2	12%	0.12	18%	0.179	C	C	.	.	H	α-helix	trans	-71.9	-34.2	-178.1	-59.8	-178.1	0	0	0	112.3	Y156 T187 E188 D193 K218 W221	Y156-L191 HydrophobicContact CD1-CD1 3.94Å; Y156-L191 HydrophobicContact CE1-CB 4.44Å; Y156-L191 HydrophobicContact CE1-CD1 3.74Å; T187-L191 HydrophobicContact CG2-CD1 3.84Å; T187-L191 HydrophobicContact CG2-CG 4.11Å; T187-L191 WeakPolarHBondContact O-CG 3.04Å; T187-L191 PolarHBondContact O-N 2.91Å; E188-L191 PolarHBondContact O-N 3.05Å; L191-D193 PolarHBondContact O-N 2.75Å; L191-K218 HydrophobicContact CD2-CB 4.29Å; L191-K218 HydrophobicContact CD2-CG 3.72Å; L191-W221 HydrophobicContact CD1-CB 3.75Å; L191-W221 HydrophobicContact CD1-CG 3.98Å; L191-W221 HydrophobicContact CD2-CB 3.95Å; L191-W221 HydrophobicContact CG-CB 4.49Å
192	E	97	Very high	97.1	Very high	76 Å²	76	40.5 Å²	40.5	36%	0.355	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	4.5	175.5	-58.9	171.4	137.5	0	0	113	E188 R194	E188-E192 WeakPolarHBondContact O-CB 3.04Å; E188-E192 WeakPolarHBondContact O-CG 3.23Å; E188-E192 PolarHBondContact O-N 3.33Å; E192-R194 HydrophobicContact CB-CG 4.02Å; E192-R194 PolarHBondContact O-N 2.94Å; E192-R194 IonicContact OE2-CZ 3.32Å; E192-R194 VanDerWaalsContact OE2-CZ 3.28Å; E192-R194 IonicContact OE2-NE 3.44Å; E192-R194 PolarHBondContact OE2-NE 2.95Å; E192-R194 IonicContact OE2-NH2 2.63Å; E192-R194 PolarHBondContact OE2-NH2 3.02Å
193	D	97.9	Very high	96.8	Very high	60 Å²	60	40.8 Å²	40.8	32%	0.321	20%	0.204	S	C	.	.			trans	52.8	17.8	-174.1	-84.9	-51.6	0	0	0	114.9	C190 L191 F195 L196 K218	C190-D193 PolarHBondContact O-N 3.06Å; L191-D193 PolarHBondContact O-N 2.75Å; D193-F195 PolarHBondContact O-N 2.9Å; D193-F195 VanDerWaalsContact OD1-CE1 3.25Å; D193-F195 WeakPolarHBondContact OD1-CE1 3.33Å; D193-L196 HydrophobicContact CB-CD1 3.78Å; D193-L196 HydrophobicContact CB-CG 4.15Å; D193-L196 WeakPolarHBondContact O-CB 3.48Å; D193-L196 WeakPolarHBondContact O-CG 3.36Å; D193-L196 PolarHBondContact O-N 3.37Å; D193-K218 IonicContact OD1-NZ 2.71Å; D193-K218 PolarHBondContact OD1-NZ 3.1Å; D193-K218 IonicContact OD2-NZ 2.75Å; D193-K218 PolarHBondContact OD2-NZ 3.24Å
194	R	97.9	Very high	96.5	Very high	76 Å²	76	45 Å²	45	29%	0.287	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-22.2	-179	-80.4	-162	-70.6	123.2	0.3	113.6	Y189 E192 K197 E309	Y189-R194 HydrophobicContact CD2-CB 3.48Å; Y189-R194 VanDerWaalsContact CD2-CB 3.48Å; Y189-R194 HydrophobicContact CE2-CB 3.89Å; Y189-R194 HydrophobicContact CG-CB 4.38Å; Y189-R194 PolarHBondContact O-N 2.71Å; E192-R194 HydrophobicContact CB-CG 4.02Å; E192-R194 PolarHBondContact O-N 2.94Å; E192-R194 IonicContact OE2-CZ 3.32Å; E192-R194 VanDerWaalsContact OE2-CZ 3.28Å; E192-R194 IonicContact OE2-NE 3.44Å; E192-R194 PolarHBondContact OE2-NE 2.95Å; E192-R194 IonicContact OE2-NH2 2.63Å; E192-R194 PolarHBondContact OE2-NH2 3.02Å; R194-K197 VanDerWaalsContact O-CE 3.24Å; R194-K197 WeakPolarHBondContact O-CE 3.45Å; R194-K197 WeakPolarHBondContact O-CG 3.37Å; R194-E309 IonicContact CZ-OE1 3.28Å; R194-E309 IonicContact NH1-OE1 2.98Å; R194-E309 PolarHBondContact NH1-OE1 2.83Å
195	F	97.8	Very high	96.3	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-28.4	174.8	77.9	-82.8	0	0	0	113.9	Y189 D193 K197 D198 I199 F210 A214 V269	Y189-F195 HydrophobicContact CD1-CB 3.93Å; Y189-F195 HydrophobicContact CE1-CB 3.47Å; Y189-F195 VanDerWaalsContact CE1-CB 3.47Å; Y189-F195 HydrophobicContact CE2-CB 4.4Å; Y189-F195 PolarHBondContact O-N 3.04Å; D193-F195 PolarHBondContact O-N 2.9Å; D193-F195 VanDerWaalsContact OD1-CE1 3.25Å; D193-F195 WeakPolarHBondContact OD1-CE1 3.33Å; F195-K197 VanDerWaalsContact C-N 3.3Å; F195-K197 PolarHBondContact O-N 3.39Å; F195-D198 PolarHBondContact O-N 2.7Å; F195-I199 HydrophobicContact CD2-CD1 3.96Å; F195-I199 HydrophobicContact CD2-CG1 4.47Å; F195-I199 HydrophobicContact CE2-CD1 4.38Å; F195-I199 PolarHBondContact O-N 3.26Å; F195-F210 HydrophobicContact CB-CD1 3.87Å; F195-F210 HydrophobicContact CB-CE1 3.49Å; F195-F210 VanDerWaalsContact CB-CE1 3.49Å; F195-F210 HydrophobicContact CB-CZ 4.04Å; F195-F210 HydrophobicContact CD1-CD1 4.37Å; F195-F210 HydrophobicContact CD1-CE1 4.2Å; F195-F210 HydrophobicContact CD2-CB 4.41Å; F195-F210 AromaticContact CD2-CD1 3.25Å; F195-F210 HydrophobicContact CD2-CD1 3.25Å; F195-F210 AromaticContact CD2-CE1 3.77Å; F195-F210 HydrophobicContact CD2-CE1 3.77Å; F195-F210 HydrophobicContact CD2-CG 4.01Å; F195-F210 AromaticContact CE2-CD1 3.82Å; F195-F210 HydrophobicContact CE2-CD1 3.82Å; F195-F210 AromaticContact CG-CD1 3.58Å; F195-F210 HydrophobicContact CG-CD1 3.58Å; F195-F210 AromaticContact CG-CE1 3.55Å; F195-F210 HydrophobicContact CG-CE1 3.55Å; F195-A214 HydrophobicContact CD1-CB 4.06Å; F195-A214 HydrophobicContact CE1-CB 3.38Å; F195-A214 HydrophobicContact CE2-CB 4.13Å; F195-A214 HydrophobicContact CZ-CB 3.42Å; F195-A214 VanDerWaalsContact CZ-CB 3.42Å; F195-V269 HydrophobicContact CB-CG1 4.23Å
196	L	97.6	Very high	96.1	Very high	82 Å²	82	48.2 Å²	48.2	43%	0.429	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-59.8	-37.5	-173.4	-67	-179	0	0	0	113.2	D193 D198 H211	D193-L196 HydrophobicContact CB-CD1 3.78Å; D193-L196 HydrophobicContact CB-CG 4.15Å; D193-L196 WeakPolarHBondContact O-CB 3.48Å; D193-L196 WeakPolarHBondContact O-CG 3.36Å; D193-L196 PolarHBondContact O-N 3.37Å; L196-D198 VanDerWaalsContact C-N 3.29Å; L196-D198 PolarHBondContact O-N 2.95Å; L196-H211 WeakPolarHBondContact CD2-NE2 3.27Å
197	K	96.4	Very high	95.9	Very high	142 Å²	142	48.2 Å²	48.2	62%	0.617	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-72	-19.9	176.8	54	158.5	-177.6	88.8	0	114	R194 F195	R194-K197 VanDerWaalsContact O-CE 3.24Å; R194-K197 WeakPolarHBondContact O-CE 3.45Å; R194-K197 WeakPolarHBondContact O-CG 3.37Å; F195-K197 VanDerWaalsContact C-N 3.3Å; F195-K197 PolarHBondContact O-N 3.39Å
198	D	97	Very high	95.9	Very high	21 Å²	21	52.1 Å²	52.1	11%	0.112	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-100.5	-5.1	-173.9	-61.3	-22.4	0	0	0	112.2	Y189 F195 L196 N200 V269	Y189-D198 WeakPolarHBondContact CE2-OD2 3.4Å; Y189-D198 VanDerWaalsContact OH-CB 3.32Å; Y189-D198 WeakPolarHBondContact OH-CB 3.32Å; Y189-D198 PolarHBondContact OH-OD2 2.8Å; F195-D198 PolarHBondContact O-N 2.7Å; L196-D198 VanDerWaalsContact C-N 3.29Å; L196-D198 PolarHBondContact O-N 2.95Å; D198-N200 PolarHBondContact O-N 2.88Å; D198-V269 HydrophobicContact CB-CB 4.11Å; D198-V269 HydrophobicContact CB-CG1 4.28Å; D198-V269 WeakPolarHBondContact O-CA 3.39Å
199	I	97.6	Very high	95.9	Very high	26 Å²	26	50.2 Å²	50.2	13%	0.133	26%	0.257	C	S	.	.			trans	-53.1	120.2	179.7	-67.2	-67.6	0	0	0	111.5	F195 F210 E268 V269	F195-I199 HydrophobicContact CD2-CD1 3.96Å; F195-I199 HydrophobicContact CD2-CG1 4.47Å; F195-I199 HydrophobicContact CE2-CD1 4.38Å; F195-I199 PolarHBondContact O-N 3.26Å; I199-F210 HydrophobicContact CD1-CB 4.25Å; I199-E268 CarbonylContact C-O 3.56Å; I199-E268 WeakPolarHBondContact CA-O 3.17Å; I199-V269 HydrophobicContact CD1-CG1 4.06Å
200	N	96.2	Very high	95.9	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	26%	0.257	C	S	.	.			trans	-81.8	116.7	178.9	-173.7	-30.9	0	0	0	110.7	D198 S202 S203 E268 N270 V272 Q273	D198-N200 PolarHBondContact O-N 2.88Å; N200-S202 PolarHBondContact O-N 3Å; N200-S202 WeakPolarHBondContact OD1-CA 3.13Å; N200-S202 WeakPolarHBondContact OD1-CB 3.47Å; N200-S202 PolarHBondContact OD1-N 2.72Å; N200-S202 PolarHBondContact OD1-OG 2.9Å; N200-S203 VanDerWaalsContact O-CB 3.27Å; N200-S203 WeakPolarHBondContact O-CB 3.39Å; N200-S203 PolarHBondContact O-N 2.7Å; N200-S203 PolarHBondContact O-OG 3.23Å; N200-E268 PolarHBondContact N-O 3.03Å; N200-N270 WeakPolarHBondContact CB-O 3.27Å; N200-N270 PolarHBondContact ND2-O 3.41Å; N200-V272 PolarHBondContact ND2-O 2.76Å; N200-Q273 PolarHBondContact OD1-OE1 2.93Å
201	K	93.5	Very high	96	Very high	174 Å²	174	53.2 Å²	53.2	76%	0.757	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-2.7	-177.1	-61.8	-178.6	-178.8	179.4	0	113.9	Q273	K201-Q273 VanDerWaalsContact N-OE1 3.15Å
202	S	92.6	Very high	96	Very high	69 Å²	69	52.3 Å²	52.3	48%	0.483	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-3.5	170.2	79.1	0	0	0	0	113.7	N200 Q273	N200-S202 PolarHBondContact O-N 3Å; N200-S202 WeakPolarHBondContact OD1-CA 3.13Å; N200-S202 WeakPolarHBondContact OD1-CB 3.47Å; N200-S202 PolarHBondContact OD1-N 2.72Å; N200-S202 PolarHBondContact OD1-OG 2.9Å; S202-Q273 WeakPolarHBondContact CB-O 3.47Å; S202-Q273 PolarHBondContact OG-O 2.87Å
203	S	92.5	Very high	96.1	Very high	10 Å²	10	48.7 Å²	48.7	7%	0.07	25%	0.249	C	C	.	.	S	Bend	trans	-62.4	143	179.7	59.5	0	0	0	0	111.6	N200 M205 N206 G207 E268	N200-S203 VanDerWaalsContact O-CB 3.27Å; N200-S203 WeakPolarHBondContact O-CB 3.39Å; N200-S203 PolarHBondContact O-N 2.7Å; N200-S203 PolarHBondContact O-OG 3.23Å; S203-M205 PolarHBondContact O-N 3.1Å; S203-N206 PolarHBondContact O-N 2.92Å; S203-N206 VanDerWaalsContact O-N 3.15Å; S203-N206 VanDerWaalsContact OG-CA 3.27Å; S203-N206 WeakPolarHBondContact OG-CA 3.46Å; S203-N206 PolarHBondContact OG-N 3.34Å; S203-G207 PolarHBondContact OG-N 3.14Å; S203-E268 WeakPolarHBondContact CB-OE1 3.45Å; S203-E268 PolarHBondContact OG-OE1 2.66Å
204	S	90.8	Very high	96.2	Very high	89 Å²	89	45.8 Å²	45.8	62%	0.622	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-16.6	-176.6	54	0	0	0	0	114.1
205	M	94	Very high	96.2	Very high	12 Å²	12	44.2 Å²	44.2	6%	0.059	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-1.2	175.7	-71.1	-71.2	-69.1	0	0	112.5	S203 G207 L208 L209 Q238 R241 F242 E268	S203-M205 PolarHBondContact O-N 3.1Å; M205-G207 VanDerWaalsContact C-N 3.26Å; M205-G207 PolarHBondContact O-N 2.74Å; M205-L208 HydrophobicContact CE-CB 4.49Å; M205-L208 VanDerWaalsContact O-CB 3.23Å; M205-L208 WeakPolarHBondContact O-CB 3.43Å; M205-L208 WeakPolarHBondContact O-CG 3.45Å; M205-L208 PolarHBondContact O-N 3.39Å; M205-L209 HydrophobicContact CB-CB 4.37Å; M205-L209 HydrophobicContact CE-CB 4.38Å; M205-Q238 HydrophobicContact CE-CB 3.75Å; M205-Q238 HydrophobicContact CE-CG 4.39Å; M205-Q238 WeakPolarHBondContact CE-O 3.29Å; M205-R241 HydrophobicContact CE-CB 3.85Å; M205-R241 HydrophobicContact SD-CB 3.84Å; M205-F242 HydrophobicContact CG-CB 4.24Å; M205-F242 HydrophobicContact CG-CD2 4.36Å; M205-E268 WeakPolarHBondContact CB-OE1 3.36Å; M205-E268 WeakPolarHBondContact CB-OE2 3.14Å
206	N	92.3	Very high	96.2	Very high	105 Å²	105	44.4 Å²	44.4	56%	0.561	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	42.6	179	-169.6	51.3	0	0	0	113.2	S203 L208 E268	S203-N206 PolarHBondContact O-N 2.92Å; S203-N206 VanDerWaalsContact O-N 3.15Å; S203-N206 VanDerWaalsContact OG-CA 3.27Å; S203-N206 WeakPolarHBondContact OG-CA 3.46Å; S203-N206 PolarHBondContact OG-N 3.34Å; N206-L208 PolarHBondContact O-N 2.96Å; N206-E268 PolarHBondContact N-OE1 3.26Å
207	G	95	Very high	96.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-7.9	-178.9	0	0	0	0	0	115.6	S203 M205 L209 F210 H211 E268	S203-G207 PolarHBondContact OG-N 3.14Å; M205-G207 VanDerWaalsContact C-N 3.26Å; M205-G207 PolarHBondContact O-N 2.74Å; G207-L209 VanDerWaalsContact C-N 3.29Å; G207-L209 PolarHBondContact O-N 2.83Å; G207-F210 PolarHBondContact O-N 3.44Å; G207-H211 PolarHBondContact O-N 2.95Å; G207-H211 PolarHBondContact O-ND1 3.39Å; G207-E268 VanDerWaalsContact CA-CD 3.41Å; G207-E268 WeakPolarHBondContact CA-OE2 3.48Å; G207-E268 VanDerWaalsContact N-CD 3.3Å; G207-E268 PolarHBondContact N-OE1 2.84Å; G207-E268 PolarHBondContact N-OE2 3.33Å
208	L	97.4	Very high	96.3	Very high	84 Å²	84	36.7 Å²	36.7	44%	0.44	20%	0.195	S	C	.	.	H	α-helix	trans	-60.5	-34.7	-176.1	-67.7	174.2	0	0	0	113.5	M205 N206 S212 E268	M205-L208 HydrophobicContact CE-CB 4.49Å; M205-L208 VanDerWaalsContact O-CB 3.23Å; M205-L208 WeakPolarHBondContact O-CB 3.43Å; M205-L208 WeakPolarHBondContact O-CG 3.45Å; M205-L208 PolarHBondContact O-N 3.39Å; N206-L208 PolarHBondContact O-N 2.96Å; L208-S212 WeakPolarHBondContact O-CB 3.25Å; L208-S212 PolarHBondContact O-N 3.47Å; L208-S212 VanDerWaalsContact O-N 3.09Å; L208-S212 PolarHBondContact O-OG 3.14Å; L208-E268 PolarHBondContact N-OE2 3.36Å
209	L	98.2	Very high	96.3	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-68.6	-46	176.7	174.7	62.1	0	0	0	110.1	M205 G207 S212 Y213 F235 Q238 I239 F242 E268	M205-L209 HydrophobicContact CB-CB 4.37Å; M205-L209 HydrophobicContact CE-CB 4.38Å; G207-L209 VanDerWaalsContact C-N 3.29Å; G207-L209 PolarHBondContact O-N 2.83Å; L209-S212 PolarHBondContact O-N 3.31Å; L209-S212 PolarHBondContact O-OG 3.34Å; L209-Y213 PolarHBondContact O-N 2.96Å; L209-F235 HydrophobicContact CD1-CD2 4.1Å; L209-F235 HydrophobicContact CD1-CE2 3.68Å; L209-F235 HydrophobicContact CD1-CZ 4.5Å; L209-Q238 HydrophobicContact CB-CB 4.24Å; L209-Q238 HydrophobicContact CD1-CB 3.81Å; L209-I239 HydrophobicContact CD1-CB 4.01Å; L209-I239 HydrophobicContact CD1-CD1 4.13Å; L209-I239 HydrophobicContact CD2-CD1 4.03Å; L209-F242 HydrophobicContact CD2-CB 4.02Å; L209-F242 HydrophobicContact CD2-CD1 4.31Å; L209-F242 HydrophobicContact CD2-CD2 4.48Å; L209-F242 HydrophobicContact CD2-CG 4.01Å; L209-E268 WeakPolarHBondContact CA-OE2 3.35Å; L209-E268 HydrophobicContact CB-CG 4.1Å; L209-E268 VanDerWaalsContact CB-OE2 3.3Å; L209-E268 WeakPolarHBondContact CB-OE2 3.48Å; L209-E268 PolarHBondContact N-OE2 3.09Å
210	F	98.3	Very high	96.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.9	-43.5	179.4	-148	-66.6	0	0	0	112.1	Y189 F195 I199 G207 S212 Y213 A214 L265 E268 V269 I310	Y189-F210 HydrophobicContact CD1-CE1 4.36Å; Y189-F210 AromaticContact CD1-CZ 3.88Å; Y189-F210 HydrophobicContact CD1-CZ 3.88Å; Y189-F210 HydrophobicContact CE1-CE1 4.28Å; Y189-F210 HydrophobicContact CE1-CE2 4.34Å; Y189-F210 AromaticContact CE1-CZ 3.67Å; Y189-F210 HydrophobicContact CE1-CZ 3.67Å; F195-F210 HydrophobicContact CB-CD1 3.87Å; F195-F210 HydrophobicContact CB-CE1 3.49Å; F195-F210 VanDerWaalsContact CB-CE1 3.49Å; F195-F210 HydrophobicContact CB-CZ 4.04Å; F195-F210 HydrophobicContact CD1-CD1 4.37Å; F195-F210 HydrophobicContact CD1-CE1 4.2Å; F195-F210 HydrophobicContact CD2-CB 4.41Å; F195-F210 AromaticContact CD2-CD1 3.25Å; F195-F210 HydrophobicContact CD2-CD1 3.25Å; F195-F210 AromaticContact CD2-CE1 3.77Å; F195-F210 HydrophobicContact CD2-CE1 3.77Å; F195-F210 HydrophobicContact CD2-CG 4.01Å; F195-F210 AromaticContact CE2-CD1 3.82Å; F195-F210 HydrophobicContact CE2-CD1 3.82Å; F195-F210 AromaticContact CG-CD1 3.58Å; F195-F210 HydrophobicContact CG-CD1 3.58Å; F195-F210 AromaticContact CG-CE1 3.55Å; F195-F210 HydrophobicContact CG-CE1 3.55Å; I199-F210 HydrophobicContact CD1-CB 4.25Å; G207-F210 PolarHBondContact O-N 3.44Å; F210-S212 VanDerWaalsContact C-N 3.31Å; F210-S212 PolarHBondContact O-N 3.08Å; F210-Y213 WeakPolarHBondContact O-CB 3.42Å; F210-Y213 PolarHBondContact O-N 2.9Å; F210-Y213 VanDerWaalsContact O-N 3.09Å; F210-A214 HydrophobicContact CD1-CB 4.38Å; F210-A214 WeakPolarHBondContact O-CB 3.34Å; F210-A214 PolarHBondContact O-N 2.81Å; F210-L265 HydrophobicContact CB-CD2 4.33Å; F210-L265 HydrophobicContact CD2-CB 3.96Å; F210-L265 HydrophobicContact CD2-CD2 3.59Å; F210-L265 HydrophobicContact CD2-CG 4.36Å; F210-L265 WeakPolarHBondContact CD2-O 3.41Å; F210-L265 HydrophobicContact CE2-CB 3.8Å; F210-L265 HydrophobicContact CE2-CD2 3.89Å; F210-L265 HydrophobicContact CE2-CG 4.34Å; F210-L265 HydrophobicContact CG-CD2 3.93Å; F210-L265 HydrophobicContact CZ-CD2 4.46Å; F210-E268 HydrophobicContact CB-CB 3.84Å; F210-E268 HydrophobicContact CB-CG 4.36Å; F210-E268 HydrophobicContact CD2-CB 4.17Å; F210-E268 PolarHBondContact N-OE2 3.01Å; F210-V269 HydrophobicContact CD2-CB 4.47Å; F210-V269 HydrophobicContact CD2-CG1 3.7Å; F210-V269 HydrophobicContact CD2-CG2 4Å; F210-V269 HydrophobicContact CE2-CB 4.41Å; F210-V269 HydrophobicContact CE2-CG1 3.87Å; F210-V269 HydrophobicContact CE2-CG2 3.6Å; F210-V269 HydrophobicContact CG-CG1 4.15Å; F210-V269 HydrophobicContact CZ-CG1 4.45Å; F210-V269 HydrophobicContact CZ-CG2 4.47Å; F210-I310 HydrophobicContact CE2-CD1 3.93Å; F210-I310 HydrophobicContact CE2-CG1 4.42Å; F210-I310 HydrophobicContact CZ-CD1 4.13Å
211	H	98.4	Very high	96.3	Very high	63 Å²	63	37.8 Å²	37.8	29%	0.292	20%	0.199	S	C	.	.	H	α-helix	trans	-58.5	-43.8	173.8	-71.5	79.1	0	0	0	111.2	L196 G207 Y213 A214 D215	L196-H211 WeakPolarHBondContact CD2-NE2 3.27Å; G207-H211 PolarHBondContact O-N 2.95Å; G207-H211 PolarHBondContact O-ND1 3.39Å; H211-Y213 PolarHBondContact O-N 3.1Å; H211-A214 PolarHBondContact O-N 3.44Å; H211-D215 WeakPolarHBondContact O-CB 3.49Å; H211-D215 PolarHBondContact O-N 2.83Å
212	S	98.5	Very high	96.4	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-66.6	-21.3	177.7	73.8	0	0	0	0	114.6	L208 L209 F210 Q238	L208-S212 WeakPolarHBondContact O-CB 3.25Å; L208-S212 PolarHBondContact O-N 3.47Å; L208-S212 VanDerWaalsContact O-N 3.09Å; L208-S212 PolarHBondContact O-OG 3.14Å; L209-S212 PolarHBondContact O-N 3.31Å; L209-S212 PolarHBondContact O-OG 3.34Å; F210-S212 VanDerWaalsContact C-N 3.31Å; F210-S212 PolarHBondContact O-N 3.08Å; S212-Q238 WeakPolarHBondContact OG-CG 3.49Å
213	Y	98.8	Very high	96.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-83.2	-48.1	172.3	176.9	-93.4	0	0	0	111.2	L177 L180 L186 L209 F210 H211 D215 L216 M217 F235 L265	L177-Y213 HydrophobicContact CD2-CD2 4.06Å; L177-Y213 HydrophobicContact CD2-CE2 3.87Å; L180-Y213 WeakPolarHBondContact CB-OH 3.47Å; L186-Y213 HydrophobicContact CD2-CE1 4.43Å; L186-Y213 WeakPolarHBondContact CD2-OH 3.18Å; L186-Y213 HydrophobicContact CG-CE1 4.36Å; L209-Y213 PolarHBondContact O-N 2.96Å; F210-Y213 WeakPolarHBondContact O-CB 3.42Å; F210-Y213 PolarHBondContact O-N 2.9Å; F210-Y213 VanDerWaalsContact O-N 3.09Å; H211-Y213 PolarHBondContact O-N 3.1Å; Y213-D215 PolarHBondContact O-N 3.39Å; Y213-L216 CarbonylContact O-C 3.59Å; Y213-L216 WeakPolarHBondContact O-CB 3.37Å; Y213-L216 PolarHBondContact O-N 3.13Å; Y213-L216 VanDerWaalsContact O-N 3.16Å; Y213-M217 HydrophobicContact CD1-CG 3.98Å; Y213-M217 HydrophobicContact CD2-CE 4.22Å; Y213-M217 HydrophobicContact CE1-CE 4.41Å; Y213-M217 HydrophobicContact CE1-CG 3.52Å; Y213-M217 HydrophobicContact CE1-SD 3.99Å; Y213-M217 HydrophobicContact CE2-CE 3.74Å; Y213-M217 HydrophobicContact CE2-SD 4.19Å; Y213-M217 WeakPolarHBondContact O-CG 3.46Å; Y213-M217 PolarHBondContact O-N 3.04Å; Y213-M217 PolarHBondContact OH-SD 3.44Å; Y213-F235 HydrophobicContact CD2-CD2 4.38Å; Y213-F235 AromaticContact CD2-CE2 3.9Å; Y213-F235 HydrophobicContact CD2-CE2 3.9Å; Y213-F235 HydrophobicContact CD2-CZ 4.27Å; Y213-F235 HydrophobicContact CG-CE2 4.38Å; Y213-L265 HydrophobicContact CD1-CD1 4Å; Y213-L265 HydrophobicContact CD1-CD2 4.02Å; Y213-L265 HydrophobicContact CD2-CD1 4.03Å; Y213-L265 HydrophobicContact CD2-CD2 4.39Å; Y213-L265 HydrophobicContact CE1-CD1 4.07Å; Y213-L265 HydrophobicContact CE2-CD1 4.08Å; Y213-L265 HydrophobicContact CG-CD1 3.99Å; Y213-L265 HydrophobicContact CG-CD2 3.77Å
214	A	98.6	Very high	96.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-39.4	-179.1	0	0	0	0	0	112.4	C190 F195 F210 H211 L216 M217 K218	C190-A214 HydrophobicContact CB-CB 3.92Å; F195-A214 HydrophobicContact CD1-CB 4.06Å; F195-A214 HydrophobicContact CE1-CB 3.38Å; F195-A214 HydrophobicContact CE2-CB 4.13Å; F195-A214 HydrophobicContact CZ-CB 3.42Å; F195-A214 VanDerWaalsContact CZ-CB 3.42Å; F210-A214 HydrophobicContact CD1-CB 4.38Å; F210-A214 WeakPolarHBondContact O-CB 3.34Å; F210-A214 PolarHBondContact O-N 2.81Å; H211-A214 PolarHBondContact O-N 3.44Å; A214-L216 VanDerWaalsContact C-N 3.32Å; A214-L216 PolarHBondContact O-N 3.01Å; A214-M217 PolarHBondContact O-N 3.23Å; A214-K218 WeakPolarHBondContact O-CG 3.41Å; A214-K218 PolarHBondContact O-N 3.16Å
215	D	98.3	Very high	96.4	Very high	42 Å²	42	37.1 Å²	37.1	23%	0.225	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-40.2	174	-67.3	-15.2	0	0	0	111	H211 Y213 K218 E219 R234	H211-D215 WeakPolarHBondContact O-CB 3.49Å; H211-D215 PolarHBondContact O-N 2.83Å; Y213-D215 PolarHBondContact O-N 3.39Å; D215-K218 WeakPolarHBondContact O-CB 3.49Å; D215-K218 PolarHBondContact O-N 2.91Å; D215-E219 WeakPolarHBondContact O-CG 3.31Å; D215-E219 PolarHBondContact O-N 2.91Å; D215-R234 IonicContact OD2-CZ 3.39Å; D215-R234 IonicContact OD2-NH1 3.34Å; D215-R234 PolarHBondContact OD2-NH1 2.85Å; D215-R234 IonicContact OD2-NH2 3.76Å; D215-R234 PolarHBondContact OD2-NH2 3.2Å
216	L	98.5	Very high	95.9	Very high	5 Å²	5	38 Å²	38	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-34.8	173.9	-178	64.1	0	0	0	112.4	L164 L177 Y213 A214 K218 E219 I220 T230 P232 F235	L164-L216 HydrophobicContact CD2-CD1 3.99Å; L177-L216 HydrophobicContact CD1-CD2 3.93Å; L177-L216 HydrophobicContact CD2-CD2 4.38Å; Y213-L216 CarbonylContact O-C 3.59Å; Y213-L216 WeakPolarHBondContact O-CB 3.37Å; Y213-L216 PolarHBondContact O-N 3.13Å; Y213-L216 VanDerWaalsContact O-N 3.16Å; A214-L216 VanDerWaalsContact C-N 3.32Å; A214-L216 PolarHBondContact O-N 3.01Å; L216-K218 VanDerWaalsContact C-N 3.34Å; L216-E219 PolarHBondContact O-N 3.14Å; L216-I220 HydrophobicContact CD1-CD1 4.32Å; L216-I220 HydrophobicContact CD1-CG1 4.46Å; L216-I220 HydrophobicContact CG-CD1 4.02Å; L216-I220 VanDerWaalsContact O-CG1 3.27Å; L216-I220 WeakPolarHBondContact O-CG1 3.44Å; L216-I220 PolarHBondContact O-N 2.86Å; L216-T230 HydrophobicContact CD1-CG2 3.68Å; L216-P232 HydrophobicContact CD1-CB 4.42Å; L216-P232 HydrophobicContact CD2-CB 3.81Å; L216-F235 HydrophobicContact CD2-CB 4.13Å; L216-F235 HydrophobicContact CD2-CG 4.48Å
217	M	98.1	Very high	95.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.1	-41.1	172.2	-65	-55.7	97.9	0	0	110.7	C190 Y213 A214 I220 W221	C190-M217 HydrophobicContact CB-CB 4.04Å; C190-M217 HydrophobicContact CB-CG 4.18Å; Y213-M217 HydrophobicContact CD1-CG 3.98Å; Y213-M217 HydrophobicContact CD2-CE 4.22Å; Y213-M217 HydrophobicContact CE1-CE 4.41Å; Y213-M217 HydrophobicContact CE1-CG 3.52Å; Y213-M217 HydrophobicContact CE1-SD 3.99Å; Y213-M217 HydrophobicContact CE2-CE 3.74Å; Y213-M217 HydrophobicContact CE2-SD 4.19Å; Y213-M217 WeakPolarHBondContact O-CG 3.46Å; Y213-M217 PolarHBondContact O-N 3.04Å; Y213-M217 PolarHBondContact OH-SD 3.44Å; A214-M217 PolarHBondContact O-N 3.23Å; M217-I220 HydrophobicContact CE-CD1 3.89Å; M217-I220 PolarHBondContact O-N 3.48Å; M217-W221 WeakPolarHBondContact O-CB 3.21Å; M217-W221 VanDerWaalsContact O-CD1 3.29Å; M217-W221 PolarHBondContact O-N 3.11Å
218	K	97.2	Very high	95.6	Very high	63 Å²	63	41.7 Å²	41.7	27%	0.274	22%	0.224	S	C	.	.	H	α-helix	trans	-61.3	-44.8	174.8	-68.9	172.7	-172.3	-179.5	0	111.3	C190 L191 D193 A214 D215 L216 I220 W221 D222	C190-K218 VanDerWaalsContact O-CE 3.27Å; C190-K218 WeakPolarHBondContact O-CE 3.38Å; L191-K218 HydrophobicContact CD2-CB 4.29Å; L191-K218 HydrophobicContact CD2-CG 3.72Å; D193-K218 IonicContact OD1-NZ 2.71Å; D193-K218 PolarHBondContact OD1-NZ 3.1Å; D193-K218 IonicContact OD2-NZ 2.75Å; D193-K218 PolarHBondContact OD2-NZ 3.24Å; A214-K218 WeakPolarHBondContact O-CG 3.41Å; A214-K218 PolarHBondContact O-N 3.16Å; D215-K218 WeakPolarHBondContact O-CB 3.49Å; D215-K218 PolarHBondContact O-N 2.91Å; L216-K218 VanDerWaalsContact C-N 3.34Å; K218-I220 PolarHBondContact O-N 3.41Å; K218-W221 CarbonylContact O-C 3.5Å; K218-W221 PolarHBondContact O-N 3.25Å; K218-D222 WeakPolarHBondContact O-CB 3.17Å; K218-D222 PolarHBondContact O-N 3.29Å
219	E	96.8	Very high	95.6	Very high	70 Å²	70	39.6 Å²	39.6	33%	0.327	22%	0.217	S	C	.	.	H	α-helix	trans	-61.1	-37.7	174.5	-69.8	173.1	-150	0	0	113.8	D215 L216 T230	D215-E219 WeakPolarHBondContact O-CG 3.31Å; D215-E219 PolarHBondContact O-N 2.91Å; L216-E219 PolarHBondContact O-N 3.14Å; E219-T230 HydrophobicContact CB-CG2 4.21Å; E219-T230 WeakPolarHBondContact OE2-CB 3.4Å; E219-T230 WeakPolarHBondContact OE2-CG2 3.36Å; E219-T230 PolarHBondContact OE2-OG1 3.44Å
220	I	97.7	Very high	95.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-75.3	-27	178.6	-65.7	165.1	0	0	0	112	G160 V162 L164 S181 L216 M217 K218 T230	G160-I220 VanDerWaalsContact CA-O 3.32Å; G160-I220 WeakPolarHBondContact CA-O 3.49Å; G160-I220 PolarHBondContact N-O 2.96Å; V162-I220 HydrophobicContact CB-CG2 4.33Å; V162-I220 VanDerWaalsContact CG2-O 3.28Å; V162-I220 WeakPolarHBondContact CG2-O 3.39Å; L164-I220 HydrophobicContact CD1-CD1 4.39Å; L164-I220 HydrophobicContact CD2-CD1 4.07Å; L164-I220 HydrophobicContact CD2-CG1 4.32Å; L164-I220 HydrophobicContact CG-CD1 4.5Å; S181-I220 WeakPolarHBondContact OG-CG2 3.44Å; L216-I220 HydrophobicContact CD1-CD1 4.32Å; L216-I220 HydrophobicContact CD1-CG1 4.46Å; L216-I220 HydrophobicContact CG-CD1 4.02Å; L216-I220 VanDerWaalsContact O-CG1 3.27Å; L216-I220 WeakPolarHBondContact O-CG1 3.44Å; L216-I220 PolarHBondContact O-N 2.86Å; M217-I220 HydrophobicContact CE-CD1 3.89Å; M217-I220 PolarHBondContact O-N 3.48Å; K218-I220 PolarHBondContact O-N 3.41Å; I220-T230 HydrophobicContact CG1-CG2 4.43Å
221	W	97.1	Very high	95.6	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-102.6	0.9	-176.9	-76.2	90.7	0	0	0	114.8	G159 S181 T187 L191 M217 K218 P223 P463 Y464	G159-W221 VanDerWaalsContact O-CZ3 3.28Å; G159-W221 WeakPolarHBondContact O-CZ3 3.49Å; S181-W221 PolarHBondContact O-NE1 2.83Å; S181-W221 VanDerWaalsContact O-NE1 3.13Å; S181-W221 PolarHBondContact OG-NE1 3.07Å; T187-W221 VanDerWaalsContact CG2-CD1 3.4Å; T187-W221 HydrophobicContact CG2-CD2 4.14Å; T187-W221 HydrophobicContact CG2-CG 3.93Å; T187-W221 VanDerWaalsContact CG2-NE1 3.29Å; L191-W221 HydrophobicContact CD1-CB 3.75Å; L191-W221 HydrophobicContact CD1-CG 3.98Å; L191-W221 HydrophobicContact CD2-CB 3.95Å; L191-W221 HydrophobicContact CG-CB 4.49Å; M217-W221 WeakPolarHBondContact O-CB 3.21Å; M217-W221 VanDerWaalsContact O-CD1 3.29Å; M217-W221 PolarHBondContact O-N 3.11Å; K218-W221 CarbonylContact O-C 3.5Å; K218-W221 PolarHBondContact O-N 3.25Å; W221-P223 WeakPolarHBondContact O-CD 3.47Å; W221-P463 HydrophobicContact CH2-CG 3.91Å; W221-P463 HydrophobicContact CZ2-CG 4.24Å; W221-Y464 HydrophobicContact CE3-CD2 4.36Å; W221-Y464 HydrophobicContact CE3-CE2 4.23Å; W221-Y464 AromaticContact CH2-CD2 3.8Å; W221-Y464 HydrophobicContact CH2-CD2 3.8Å; W221-Y464 AromaticContact CH2-CE2 3.93Å; W221-Y464 HydrophobicContact CH2-CE2 3.93Å; W221-Y464 AromaticContact CZ3-CD2 3.49Å; W221-Y464 HydrophobicContact CZ3-CD2 3.49Å; W221-Y464 VanDerWaalsContact CZ3-CD2 3.49Å; W221-Y464 AromaticContact CZ3-CE2 3.69Å; W221-Y464 HydrophobicContact CZ3-CE2 3.69Å
222	D	94.5	Very high	95.6	Very high	66 Å²	66	39.9 Å²	39.9	35%	0.353	23%	0.225	S	C	.	.			trans	-65.6	119.3	170.3	-170.7	-18.8	0	0	0	110.8	K218 D224 M225	K218-D222 WeakPolarHBondContact O-CB 3.17Å; K218-D222 PolarHBondContact O-N 3.29Å; D222-D224 PolarHBondContact O-N 2.81Å; D222-D224 PolarHBondContact OD1-N 3.06Å; D222-M225 HydrophobicContact CB-CB 4.13Å; D222-M225 HydrophobicContact CB-CG 3.94Å; D222-M225 PolarHBondContact O-N 2.79Å; D222-M225 VanDerWaalsContact O-N 3.17Å
223	P	90.8	Very high	95.5	Very high	50 Å²	50	42.6 Å²	42.6	33%	0.325	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-59.2	-28.6	175.8	-25.8	37.1	0	0	0	114.6	R158 W221 M225 A226	R158-P223 HydrophobicContact CB-CB 4.12Å; W221-P223 WeakPolarHBondContact O-CD 3.47Å; P223-M225 VanDerWaalsContact C-N 3.27Å; P223-M225 PolarHBondContact O-N 3.33Å; P223-A226 VanDerWaalsContact O-CB 3.32Å; P223-A226 WeakPolarHBondContact O-CB 3.38Å; P223-A226 PolarHBondContact O-N 2.65Å
224	D	92.4	Very high	95.5	Very high	153 Å²	153	48.9 Å²	48.9	82%	0.818	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-77.4	-16.9	-179.4	-71.1	-13.6	0	0	0	111.9	D222	D222-D224 PolarHBondContact O-N 2.81Å; D222-D224 PolarHBondContact OD1-N 3.06Å
225	M	92.6	Very high	95.5	Very high	58 Å²	58	49 Å²	49	29%	0.286	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-88.4	-2.6	173.4	-68.6	-68.2	-73.9	0	0	113.5	V162 D222 P223 N227 S228	V162-M225 HydrophobicContact CG2-CB 3.92Å; V162-M225 WeakPolarHBondContact CG2-O 3.34Å; D222-M225 HydrophobicContact CB-CB 4.13Å; D222-M225 HydrophobicContact CB-CG 3.94Å; D222-M225 PolarHBondContact O-N 2.79Å; D222-M225 VanDerWaalsContact O-N 3.17Å; P223-M225 VanDerWaalsContact C-N 3.27Å; P223-M225 PolarHBondContact O-N 3.33Å; M225-N227 PolarHBondContact O-N 3.41Å; M225-S228 WeakPolarHBondContact CE-OG 3.42Å; M225-S228 WeakPolarHBondContact O-CB 3.32Å; M225-S228 PolarHBondContact O-N 2.99Å; M225-S228 PolarHBondContact O-OG 3.25Å
226	A	84.7	Confident	95.4	Very high	31 Å²	31	47.9 Å²	47.9	26%	0.256	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	132.3	-172.9	0	0	0	0	0	113.5	P223 S228	P223-A226 VanDerWaalsContact O-CB 3.32Å; P223-A226 WeakPolarHBondContact O-CB 3.38Å; P223-A226 PolarHBondContact O-N 2.65Å; A226-S228 VanDerWaalsContact C-N 3.25Å; A226-S228 PolarHBondContact O-N 3.37Å
227	N	84.9	Confident	95.4	Very high	139 Å²	139	50 Å²	50	74%	0.743	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	12.6	-173.5	-43.2	-86	0	0	0	115.3	L161 M225	L161-N227 WeakPolarHBondContact O-CA 3.42Å; L161-N227 PolarHBondContact O-N 2.82Å; M225-N227 PolarHBondContact O-N 3.41Å
228	S	95.5	Very high	95.4	Very high	43 Å²	43	51.4 Å²	51.4	30%	0.301	28%	0.283	S	S	.	.			trans	-98.8	-163.2	171.3	82.2	0	0	0	0	112.1	G163 M225 A226	G163-S228 PolarHBondContact N-O 2.92Å; M225-S228 WeakPolarHBondContact CE-OG 3.42Å; M225-S228 WeakPolarHBondContact O-CB 3.32Å; M225-S228 PolarHBondContact O-N 2.99Å; M225-S228 PolarHBondContact O-OG 3.25Å; A226-S228 VanDerWaalsContact C-N 3.25Å; A226-S228 PolarHBondContact O-N 3.37Å
229	S	97.5	Very high	95.4	Very high	41 Å²	41	48.4 Å²	48.4	29%	0.287	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	143.4	169.7	61.5	0	0	0	0	112	G163 N165	G163-S229 CarbonylContact O-C 3.6Å; G163-S229 WeakPolarHBondContact O-CA 3.25Å; G163-S229 WeakPolarHBondContact O-CB 3.31Å; N165-S229 PolarHBondContact OD1-OG 2.99Å
230	T	98.2	Very high	95.4	Very high	18 Å²	18	47.2 Å²	47.2	11%	0.11	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	169.2	177.7	-169	0	0	0	0	112.7	V162 G163 L164 N165 L216 E219 I220 P232	V162-T230 HydrophobicContact CG1-CG2 4.31Å; G163-T230 PolarHBondContact O-N 3.05Å; L164-T230 HydrophobicContact CD2-CG2 3.76Å; N165-T230 PolarHBondContact N-O 2.78Å; N165-T230 VanDerWaalsContact ND2-C 3.31Å; N165-T230 PolarHBondContact ND2-O 2.88Å; L216-T230 HydrophobicContact CD1-CG2 3.68Å; E219-T230 HydrophobicContact CB-CG2 4.21Å; E219-T230 WeakPolarHBondContact OE2-CB 3.4Å; E219-T230 WeakPolarHBondContact OE2-CG2 3.36Å; E219-T230 PolarHBondContact OE2-OG1 3.44Å; I220-T230 HydrophobicContact CG1-CG2 4.43Å; T230-P232 WeakPolarHBondContact O-CD 3.16Å
231	S	98	Very high	95.3	Very high	50 Å²	50	53.9 Å²	53.9	35%	0.35	29%	0.29	S	S	.	.			trans	-103.8	105.8	-177.1	179.1	0	0	0	0	111	S233	S231-S233 PolarHBondContact O-N 3.32Å; S231-S233 WeakPolarHBondContact OG-CB 3.35Å; S231-S233 PolarHBondContact OG-OG 2.63Å
232	P	98.2	Very high	95.3	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	23.3	178.9	30.9	-35.8	0	0	0	113.6	L164 L167 M173 L177 L216 T230 R234 F235 K236	L164-P232 HydrophobicContact CB-CG 4.35Å; L164-P232 HydrophobicContact CD2-CB 4.26Å; L164-P232 HydrophobicContact CD2-CG 4.27Å; L167-P232 HydrophobicContact CD1-CG 4.08Å; L167-P232 HydrophobicContact CG-CG 4.47Å; M173-P232 HydrophobicContact CE-CB 3.81Å; M173-P232 HydrophobicContact CE-CG 3.53Å; L177-P232 HydrophobicContact CD1-CB 4.15Å; L216-P232 HydrophobicContact CD1-CB 4.42Å; L216-P232 HydrophobicContact CD2-CB 3.81Å; T230-P232 WeakPolarHBondContact O-CD 3.16Å; P232-R234 PolarHBondContact O-N 2.87Å; P232-F235 PolarHBondContact O-N 3.06Å; P232-K236 PolarHBondContact O-N 3.24Å
233	S	97.9	Very high	95.3	Very high	60 Å²	60	52.3 Å²	52.3	42%	0.42	28%	0.28	S	S	.	.	H	α-helix	trans	-64.1	-40.3	-173.1	57	0	0	0	0	113.1	L167 S231 K236 S237	L167-S233 VanDerWaalsContact CD1-CA 3.48Å; S231-S233 PolarHBondContact O-N 3.32Å; S231-S233 WeakPolarHBondContact OG-CB 3.35Å; S231-S233 PolarHBondContact OG-OG 2.63Å; S233-K236 PolarHBondContact O-N 2.82Å; S233-S237 WeakPolarHBondContact O-CB 3.38Å; S233-S237 PolarHBondContact O-N 3.04Å
234	R	97.9	Very high	95.5	Very high	133 Å²	133	53.8 Å²	53.8	50%	0.502	29%	0.29	S	S	.	.	H	α-helix	trans	-63.6	-41.6	175.9	-175.4	171.1	166.7	-140.5	-13.1	111.6	D215 P232 S237 Q238	D215-R234 IonicContact OD2-CZ 3.39Å; D215-R234 IonicContact OD2-NH1 3.34Å; D215-R234 PolarHBondContact OD2-NH1 2.85Å; D215-R234 IonicContact OD2-NH2 3.76Å; D215-R234 PolarHBondContact OD2-NH2 3.2Å; P232-R234 PolarHBondContact O-N 2.87Å; R234-S237 WeakPolarHBondContact O-CB 3.39Å; R234-S237 PolarHBondContact O-N 3.43Å; R234-Q238 PolarHBondContact O-N 2.88Å
235	F	98.4	Very high	95.5	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-66.8	-47.8	173.1	177.8	-104.9	0	0	0	112	M173 L177 L209 Y213 L216 P232 S237 Q238 I239 F257 V261	M173-F235 HydrophobicContact SD-CD1 4.25Å; L177-F235 HydrophobicContact CD1-CD1 3.85Å; L177-F235 HydrophobicContact CD1-CE1 4.01Å; L177-F235 HydrophobicContact CD2-CD1 4.06Å; L177-F235 HydrophobicContact CD2-CE1 3.67Å; L177-F235 HydrophobicContact CD2-CZ 4.08Å; L177-F235 HydrophobicContact CG-CD1 4.49Å; L177-F235 HydrophobicContact CG-CE1 4.21Å; L209-F235 HydrophobicContact CD1-CD2 4.1Å; L209-F235 HydrophobicContact CD1-CE2 3.68Å; L209-F235 HydrophobicContact CD1-CZ 4.5Å; Y213-F235 HydrophobicContact CD2-CD2 4.38Å; Y213-F235 AromaticContact CD2-CE2 3.9Å; Y213-F235 HydrophobicContact CD2-CE2 3.9Å; Y213-F235 HydrophobicContact CD2-CZ 4.27Å; Y213-F235 HydrophobicContact CG-CE2 4.38Å; L216-F235 HydrophobicContact CD2-CB 4.13Å; L216-F235 HydrophobicContact CD2-CG 4.48Å; P232-F235 PolarHBondContact O-N 3.06Å; F235-S237 PolarHBondContact O-N 2.83Å; F235-S237 VanDerWaalsContact O-N 3.16Å; F235-Q238 PolarHBondContact O-N 2.75Å; F235-I239 HydrophobicContact CD1-CG2 4.42Å; F235-I239 HydrophobicContact CE1-CB 4.32Å; F235-I239 HydrophobicContact CE1-CG2 4.18Å; F235-I239 HydrophobicContact CZ-CB 4.19Å; F235-I239 HydrophobicContact CZ-CG1 4.42Å; F235-I239 WeakPolarHBondContact O-CG2 3.2Å; F235-I239 PolarHBondContact O-N 3.27Å; F235-F257 AromaticContact CE1-CZ 3.98Å; F235-F257 HydrophobicContact CE1-CZ 3.98Å; F235-V261 HydrophobicContact CE1-CG2 4.46Å; F235-V261 HydrophobicContact CZ-CG1 4.16Å; F235-V261 HydrophobicContact CZ-CG2 4Å
236	K	97.7	Very high	95.5	Very high	20 Å²	20	48.9 Å²	48.9	9%	0.087	26%	0.257	C	S	.	.	H	α-helix	trans	-51.6	-41.4	174.1	-163.8	-160.3	-172.9	-57.1	0	110.9	L167 T170 M173 P232 S233 Q238 Q240 F246 G248	L167-K236 HydrophobicContact CD1-CB 4.39Å; L167-K236 HydrophobicContact CD1-CD 4.32Å; T170-K236 HydrophobicContact CG2-CD 4.35Å; M173-K236 HydrophobicContact CE-CB 4.27Å; M173-K236 HydrophobicContact CE-CG 4.49Å; M173-K236 HydrophobicContact SD-CB 4.12Å; M173-K236 HydrophobicContact SD-CG 4.15Å; P232-K236 PolarHBondContact O-N 3.24Å; S233-K236 PolarHBondContact O-N 2.82Å; K236-Q238 VanDerWaalsContact C-N 3.34Å; K236-Q238 PolarHBondContact O-N 2.9Å; K236-Q240 WeakPolarHBondContact O-CB 3.4Å; K236-Q240 WeakPolarHBondContact O-CG 3.2Å; K236-Q240 PolarHBondContact O-N 3.46Å; K236-Q240 VanDerWaalsContact O-N 3.08Å; K236-F246 PolarHBondContact NZ-O 3.38Å; K236-G248 WeakPolarHBondContact CE-O 3.34Å; K236-G248 PolarHBondContact NZ-O 3.09Å
237	S	97.6	Very high	95.9	Very high	49 Å²	49	53.1 Å²	53.1	34%	0.343	27%	0.273	S	S	.	.	H	α-helix	trans	-65.5	-29.7	178.8	-169.2	0	0	0	0	114.1	S233 R234 F235 R241	S233-S237 WeakPolarHBondContact O-CB 3.38Å; S233-S237 PolarHBondContact O-N 3.04Å; R234-S237 WeakPolarHBondContact O-CB 3.39Å; R234-S237 PolarHBondContact O-N 3.43Å; F235-S237 PolarHBondContact O-N 2.83Å; F235-S237 VanDerWaalsContact O-N 3.16Å; S237-R241 WeakPolarHBondContact O-CD 3.4Å; S237-R241 VanDerWaalsContact O-CG 3.31Å; S237-R241 WeakPolarHBondContact O-CG 3.46Å
238	Q	98	Very high	96.1	Very high	29 Å²	29	47.9 Å²	47.9	14%	0.136	25%	0.253	C	S	.	.	H	α-helix	trans	-88.6	-41.8	175.8	-54.1	-43.6	-39.4	0	0	112.1	M205 L209 S212 R234 F235 K236 Q240 R241 F242	M205-Q238 HydrophobicContact CE-CB 3.75Å; M205-Q238 HydrophobicContact CE-CG 4.39Å; M205-Q238 WeakPolarHBondContact CE-O 3.29Å; L209-Q238 HydrophobicContact CB-CB 4.24Å; L209-Q238 HydrophobicContact CD1-CB 3.81Å; S212-Q238 WeakPolarHBondContact OG-CG 3.49Å; R234-Q238 PolarHBondContact O-N 2.88Å; F235-Q238 PolarHBondContact O-N 2.75Å; K236-Q238 VanDerWaalsContact C-N 3.34Å; K236-Q238 PolarHBondContact O-N 2.9Å; Q238-Q240 VanDerWaalsContact C-N 3.28Å; Q238-Q240 PolarHBondContact O-N 3.31Å; Q238-R241 WeakPolarHBondContact O-CA 3.15Å; Q238-R241 WeakPolarHBondContact O-CB 3.25Å; Q238-R241 PolarHBondContact O-N 3.24Å; Q238-F242 PolarHBondContact O-N 3.21Å
239	I	97.2	Very high	96	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-32.3	-179.9	-166.2	62.4	0	0	0	111.8	L209 F235 R241 F242 A243 F257 V261	L209-I239 HydrophobicContact CD1-CB 4.01Å; L209-I239 HydrophobicContact CD1-CD1 4.13Å; L209-I239 HydrophobicContact CD2-CD1 4.03Å; F235-I239 HydrophobicContact CD1-CG2 4.42Å; F235-I239 HydrophobicContact CE1-CB 4.32Å; F235-I239 HydrophobicContact CE1-CG2 4.18Å; F235-I239 HydrophobicContact CZ-CB 4.19Å; F235-I239 HydrophobicContact CZ-CG1 4.42Å; F235-I239 WeakPolarHBondContact O-CG2 3.2Å; F235-I239 PolarHBondContact O-N 3.27Å; I239-R241 VanDerWaalsContact C-N 3.29Å; I239-R241 PolarHBondContact O-N 3.32Å; I239-F242 HydrophobicContact CD1-CD1 4.09Å; I239-F242 PolarHBondContact O-N 2.91Å; I239-A243 PolarHBondContact O-N 2.95Å; I239-F257 HydrophobicContact CG1-CE2 3.85Å; I239-F257 HydrophobicContact CG1-CZ 4.24Å; I239-F257 HydrophobicContact CG2-CE2 4.1Å; I239-F257 HydrophobicContact CG2-CZ 4.3Å; I239-V261 HydrophobicContact CD1-CG2 4.17Å; I239-V261 HydrophobicContact CG1-CG2 4.3Å
240	Q	96.6	Very high	95.6	Very high	44 Å²	44	54.6 Å²	54.6	21%	0.206	28%	0.276	C	S	.	.	H	α-helix	trans	-76.3	-10.2	172.5	80.7	-168.3	-1.3	0	0	114.2	K236 Q238 P244 M247	K236-Q240 WeakPolarHBondContact O-CB 3.4Å; K236-Q240 WeakPolarHBondContact O-CG 3.2Å; K236-Q240 PolarHBondContact O-N 3.46Å; K236-Q240 VanDerWaalsContact O-N 3.08Å; Q238-Q240 VanDerWaalsContact C-N 3.28Å; Q238-Q240 PolarHBondContact O-N 3.31Å; Q240-P244 WeakPolarHBondContact O-CA 3.33Å; Q240-M247 HydrophobicContact CB-CB 4.49Å
241	R	96.4	Very high	95.1	Very high	140 Å²	140	57 Å²	57	53%	0.528	29%	0.286	S	S	.	.	H	α-helix	trans	-86.2	-40.7	167.9	-71	171.3	70.7	-152.5	3.9	111.1	M205 S237 Q238 I239	M205-R241 HydrophobicContact CE-CB 3.85Å; M205-R241 HydrophobicContact SD-CB 3.84Å; S237-R241 WeakPolarHBondContact O-CD 3.4Å; S237-R241 VanDerWaalsContact O-CG 3.31Å; S237-R241 WeakPolarHBondContact O-CG 3.46Å; Q238-R241 WeakPolarHBondContact O-CA 3.15Å; Q238-R241 WeakPolarHBondContact O-CB 3.25Å; Q238-R241 PolarHBondContact O-N 3.24Å; I239-R241 VanDerWaalsContact C-N 3.29Å; I239-R241 PolarHBondContact O-N 3.32Å
242	F	95.8	Very high	94.9	Very high	33 Å²	33	56.6 Å²	56.6	15%	0.145	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-46	173.7	177.6	-102	0	0	0	112	M205 L209 Q238 I239 Y260 E263 G264 M267	M205-F242 HydrophobicContact CG-CB 4.24Å; M205-F242 HydrophobicContact CG-CD2 4.36Å; L209-F242 HydrophobicContact CD2-CB 4.02Å; L209-F242 HydrophobicContact CD2-CD1 4.31Å; L209-F242 HydrophobicContact CD2-CD2 4.48Å; L209-F242 HydrophobicContact CD2-CG 4.01Å; Q238-F242 PolarHBondContact O-N 3.21Å; I239-F242 HydrophobicContact CD1-CD1 4.09Å; I239-F242 PolarHBondContact O-N 2.91Å; F242-Y260 HydrophobicContact CE1-CD1 4.24Å; F242-Y260 WeakPolarHBondContact CE1-O 3.42Å; F242-E263 HydrophobicContact CZ-CG 4.21Å; F242-G264 VanDerWaalsContact CE1-CA 3.43Å; F242-G264 VanDerWaalsContact CZ-CA 3.4Å; F242-M267 HydrophobicContact CE2-CB 4.44Å; F242-M267 HydrophobicContact CE2-CG 4.11Å; F242-M267 HydrophobicContact CZ-CG 4.27Å
243	A	95	Very high	94.6	Very high	4 Å²	4	58.6 Å²	58.6	3%	0.033	29%	0.289	C	S	.	.	S	Bend	trans	-127.2	86	-179.2	0	0	0	0	0	110.8	I239 R245 F246 Y260	I239-A243 PolarHBondContact O-N 2.95Å; A243-R245 PolarHBondContact O-N 3.43Å; A243-F246 HydrophobicContact CB-CD2 3.7Å; A243-F246 HydrophobicContact CB-CE2 3.8Å; A243-F246 PolarHBondContact O-N 3.24Å; A243-F246 VanDerWaalsContact O-N 3.1Å; A243-Y260 HydrophobicContact CB-CD1 3.55Å; A243-Y260 HydrophobicContact CB-CE1 4.08Å; A243-Y260 HydrophobicContact CB-CG 3.95Å
244	P	94.8	Very high	94.6	Very high	82 Å²	82	55.8 Å²	55.8	53%	0.532	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-55.2	-16	-175.8	-30.3	37.3	0	0	0	116.5	Q240 F246 M247	Q240-P244 WeakPolarHBondContact O-CA 3.33Å; P244-F246 PolarHBondContact O-N 2.83Å; P244-M247 WeakPolarHBondContact O-CB 3.46Å; P244-M247 PolarHBondContact O-N 3.14Å; P244-M247 VanDerWaalsContact O-N 3.09Å
245	R	93.6	Very high	94.5	Very high	100 Å²	100	50.3 Å²	50.3	38%	0.377	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-65.2	-15.7	174.8	71	-171.7	-55	179.3	-1.3	114.8	A243 Q252 E256 Y260	A243-R245 PolarHBondContact O-N 3.43Å; R245-Q252 PolarHBondContact O-NE2 3.48Å; R245-Q252 VanDerWaalsContact O-NE2 3.14Å; R245-E256 IonicContact CZ-OE1 2.68Å; R245-E256 IonicContact CZ-OE2 3.96Å; R245-E256 IonicContact NE-OE2 3.25Å; R245-E256 VanDerWaalsContact NH1-CD 3.32Å; R245-E256 IonicContact NH1-OE1 2.92Å; R245-E256 PolarHBondContact NH1-OE1 2.84Å; R245-E256 IonicContact NH1-OE2 2.81Å; R245-E256 IonicContact NH2-OE1 2.73Å; R245-E256 PolarHBondContact NH2-OE1 3.08Å; R245-E256 IonicContact NH2-OE2 3.22Å; R245-E256 PolarHBondContact NH2-OE2 2.96Å; R245-Y260 PolarHBondContact NH1-OH 2.66Å
246	F	92.4	Very high	94.3	Very high	7 Å²	7	51.9 Å²	51.9	3%	0.031	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-98.4	11.5	173.5	-52.5	-64.2	0	0	0	113.4	F172 K236 A243 P244 Q252 F257 Y260	F172-F246 HydrophobicContact CE2-CD1 4.19Å; F172-F246 HydrophobicContact CZ-CD1 4.45Å; K236-F246 PolarHBondContact NZ-O 3.38Å; A243-F246 HydrophobicContact CB-CD2 3.7Å; A243-F246 HydrophobicContact CB-CE2 3.8Å; A243-F246 PolarHBondContact O-N 3.24Å; A243-F246 VanDerWaalsContact O-N 3.1Å; P244-F246 PolarHBondContact O-N 2.83Å; F246-Q252 HydrophobicContact CD1-CB 4.42Å; F246-Q252 HydrophobicContact CD1-CG 4.02Å; F246-Q252 HydrophobicContact CE1-CB 4.39Å; F246-Q252 HydrophobicContact CE1-CG 4.4Å; F246-F257 AromaticContact CD1-CD2 3.89Å; F246-F257 HydrophobicContact CD1-CD2 3.89Å; F246-F257 AromaticContact CD2-CD2 4Å; F246-F257 HydrophobicContact CD2-CD2 4Å; F246-F257 HydrophobicContact CD2-CE2 4.29Å; F246-F257 HydrophobicContact CE1-CB 4.16Å; F246-F257 AromaticContact CE1-CD2 3.86Å; F246-F257 HydrophobicContact CE1-CD2 3.86Å; F246-F257 AromaticContact CE2-CD2 3.97Å; F246-F257 HydrophobicContact CE2-CD2 3.97Å; F246-F257 AromaticContact CG-CD2 3.97Å; F246-F257 HydrophobicContact CG-CD2 3.97Å; F246-F257 HydrophobicContact CG-CE2 4.29Å; F246-F257 HydrophobicContact CZ-CB 4.24Å; F246-F257 AromaticContact CZ-CD2 3.9Å; F246-F257 HydrophobicContact CZ-CD2 3.9Å; F246-Y260 AromaticContact CE2-CD2 3.56Å; F246-Y260 HydrophobicContact CE2-CD2 3.56Å; F246-Y260 HydrophobicContact CE2-CE2 4.3Å; F246-Y260 AromaticContact CE2-CG 3.7Å; F246-Y260 HydrophobicContact CE2-CG 3.7Å; F246-Y260 AromaticContact CZ-CD2 3.63Å; F246-Y260 HydrophobicContact CZ-CD2 3.63Å; F246-Y260 HydrophobicContact CZ-CE2 4.24Å; F246-Y260 HydrophobicContact CZ-CG 4.24Å
247	M	91.5	Very high	94.3	Very high	120 Å²	120	51 Å²	51	59%	0.591	25%	0.253	S	S	*	.			trans	-68.9	147.1	169.6	-168.6	178	-64.1	0	0	110.6	Q240 P244	Q240-M247 HydrophobicContact CB-CB 4.49Å; P244-M247 WeakPolarHBondContact O-CB 3.46Å; P244-M247 PolarHBondContact O-N 3.14Å; P244-M247 VanDerWaalsContact O-N 3.09Å
248	G	90.8	Very high	94.3	Very high	30 Å²	30	48.8 Å²	48.8	31%	0.309	24%	0.237	S	C	.	.	S	Bend	trans	79.4	-151.1	-175.4	0	0	0	0	0	113.4	K236	K236-G248 WeakPolarHBondContact CE-O 3.34Å; K236-G248 PolarHBondContact NZ-O 3.09Å
249	Y	91.5	Very high	94.3	Very high	161 Å²	161	50 Å²	50	63%	0.631	24%	0.24	S	C	*	.	S	Bend	trans	-140.2	29.1	-160.6	-52.8	-78.7	0	0	0	113.3	L167 N169	L167-Y249 WeakPolarHBondContact O-CD1 3.42Å; L167-Y249 WeakPolarHBondContact O-CE1 3.38Å; N169-Y249 WeakPolarHBondContact CB-O 3.29Å; N169-Y249 PolarHBondContact ND2-O 2.98Å
250	S	89.9	Confident	94.3	Very high	63 Å²	63	51.8 Å²	51.8	44%	0.441	25%	0.247	S	C	.	.			trans	-81.2	154.4	172.4	55.9	0	0	0	0	111.2	Q252	S250-Q252 PolarHBondContact OG-NE2 2.71Å
251	Q	88.7	Confident	94.4	Very high	70 Å²	70	49.8 Å²	49.8	33%	0.327	24%	0.238	S	C	.	.			trans	-65	149.7	164	-63.5	-172.4	1.8	0	0	109.9	N169 G454	N169-Q251 HydrophobicContact CB-CG 3.82Å; N169-Q251 WeakPolarHBondContact OD1-CG 3.29Å; N169-Q251 PolarHBondContact OD1-NE2 3.35Å; Q251-G454 PolarHBondContact NE2-O 2.98Å; Q251-G454 PolarHBondContact OE1-O 2.57Å
252	Q	92.1	Very high	94.5	Very high	41 Å²	41	43.3 Å²	43.3	19%	0.192	21%	0.214	C	C	.	.			trans	-144.6	160.6	-174.2	-59.7	-74	-1.5	0	0	110	F172 R245 F246 S250 Y456	F172-Q252 WeakPolarHBondContact CB-O 3.17Å; F172-Q252 HydrophobicContact CD1-CB 3.86Å; F172-Q252 HydrophobicContact CD1-CG 4.34Å; F172-Q252 HydrophobicContact CD2-CB 3.84Å; F172-Q252 HydrophobicContact CE1-CB 3.74Å; F172-Q252 HydrophobicContact CE1-CG 3.74Å; F172-Q252 HydrophobicContact CE2-CB 3.74Å; F172-Q252 HydrophobicContact CE2-CG 4.09Å; F172-Q252 HydrophobicContact CG-CB 3.92Å; F172-Q252 HydrophobicContact CZ-CB 3.7Å; F172-Q252 HydrophobicContact CZ-CG 3.61Å; R245-Q252 PolarHBondContact O-NE2 3.48Å; R245-Q252 VanDerWaalsContact O-NE2 3.14Å; F246-Q252 HydrophobicContact CD1-CB 4.42Å; F246-Q252 HydrophobicContact CD1-CG 4.02Å; F246-Q252 HydrophobicContact CE1-CB 4.39Å; F246-Q252 HydrophobicContact CE1-CG 4.4Å; S250-Q252 PolarHBondContact OG-NE2 2.71Å; Q252-Y456 WeakPolarHBondContact O-CE2 3.44Å
253	D	93.2	Very high	94.5	Very high	43 Å²	43	44 Å²	44	23%	0.23	22%	0.217	C	C	.	.			trans	-73.9	125.1	175.1	-176.5	-53.2	0	0	0	110.5	Q255 E256 F257 Y490	D253-Q255 WeakPolarHBondContact OD1-CA 3.41Å; D253-Q255 WeakPolarHBondContact OD1-CB 3.44Å; D253-Q255 PolarHBondContact OD1-N 2.85Å; D253-E256 HydrophobicContact CB-CB 3.92Å; D253-E256 PolarHBondContact O-N 3.23Å; D253-E256 PolarHBondContact OD1-N 3.3Å; D253-F257 PolarHBondContact O-N 3.12Å; D253-Y490 PolarHBondContact OD1-OH 2.85Å; D253-Y490 VanDerWaalsContact OD1-OH 3.09Å; D253-Y490 PolarHBondContact OD2-OH 3.27Å; D253-Y490 VanDerWaalsContact OD2-OH 3.06Å
254	S	96.5	Very high	94.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-71.2	-29.2	-177.9	76.3	0	0	0	0	113.5	I176 L258 S445 Y456 Y490	I176-S254 WeakPolarHBondContact CD1-O 3.4Å; I176-S254 WeakPolarHBondContact CG1-O 3.4Å; S254-L258 WeakPolarHBondContact O-CB 3.43Å; S254-L258 PolarHBondContact O-N 3.38Å; S254-S445 PolarHBondContact OG-OG 2.93Å; S254-Y456 VanDerWaalsContact CB-CE1 3.46Å; S254-Y456 PolarHBondContact N-OH 3.02Å; S254-Y456 WeakPolarHBondContact OG-CE1 3.26Å; S254-Y490 WeakPolarHBondContact OG-CD1 3.38Å; S254-Y490 WeakPolarHBondContact OG-CE1 3.27Å
255	Q	96.2	Very high	94.8	Very high	18 Å²	18	39.9 Å²	39.9	8%	0.084	19%	0.19	C	C	.	.	H	α-helix	trans	-70.7	-42.3	171.8	-178.1	-100.6	8.8	0	0	110.4	D253 F257 L258 R259 D339 S341 H398 Y490 V491	D253-Q255 WeakPolarHBondContact OD1-CA 3.41Å; D253-Q255 WeakPolarHBondContact OD1-CB 3.44Å; D253-Q255 PolarHBondContact OD1-N 2.85Å; Q255-F257 VanDerWaalsContact C-N 3.29Å; Q255-F257 PolarHBondContact O-N 3.33Å; Q255-L258 WeakPolarHBondContact O-CB 3.44Å; Q255-L258 PolarHBondContact O-N 2.79Å; Q255-R259 VanDerWaalsContact NE2-NH1 3.12Å; Q255-R259 WeakPolarHBondContact O-CG 3.32Å; Q255-R259 PolarHBondContact O-N 3.33Å; Q255-R259 VanDerWaalsContact O-N 3.14Å; Q255-D339 PolarHBondContact NE2-OD2 2.85Å; Q255-S341 PolarHBondContact NE2-OG 3.41Å; Q255-H398 HydrophobicContact CB-CB 4.42Å; Q255-H398 HydrophobicContact CG-CB 3.83Å; Q255-Y490 HydrophobicContact CB-CE1 4.48Å; Q255-V491 HydrophobicContact CB-CG2 3.96Å
256	E	94.9	Very high	95	Very high	34 Å²	34	35.3 Å²	35.3	16%	0.159	17%	0.173	C	C	.	.	H	α-helix	trans	-60.4	-43.6	176.4	-172.4	167.6	-127.6	0	0	110.9	R245 D253 R259 Y260	R245-E256 IonicContact CZ-OE1 2.68Å; R245-E256 IonicContact CZ-OE2 3.96Å; R245-E256 IonicContact NE-OE2 3.25Å; R245-E256 VanDerWaalsContact NH1-CD 3.32Å; R245-E256 IonicContact NH1-OE1 2.92Å; R245-E256 PolarHBondContact NH1-OE1 2.84Å; R245-E256 IonicContact NH1-OE2 2.81Å; R245-E256 IonicContact NH2-OE1 2.73Å; R245-E256 PolarHBondContact NH2-OE1 3.08Å; R245-E256 IonicContact NH2-OE2 3.22Å; R245-E256 PolarHBondContact NH2-OE2 2.96Å; D253-E256 HydrophobicContact CB-CB 3.92Å; D253-E256 PolarHBondContact O-N 3.23Å; D253-E256 PolarHBondContact OD1-N 3.3Å; E256-R259 PolarHBondContact O-N 2.82Å; E256-Y260 HydrophobicContact CG-CD2 4.27Å; E256-Y260 HydrophobicContact CG-CE2 4.01Å; E256-Y260 WeakPolarHBondContact O-CD2 3.46Å; E256-Y260 PolarHBondContact O-N 3.27Å
257	F	97.6	Very high	95.2	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-47.4	174.5	-176.2	-108.2	0	0	0	112.8	F172 M173 I176 F235 I239 F246 D253 Q255 R259 Y260 V261	F172-F257 HydrophobicContact CD2-CB 3.79Å; F172-F257 HydrophobicContact CD2-CD1 4.25Å; F172-F257 HydrophobicContact CD2-CD2 4.24Å; F172-F257 AromaticContact CD2-CG 3.83Å; F172-F257 HydrophobicContact CD2-CG 3.83Å; F172-F257 HydrophobicContact CE2-CB 4.01Å; F172-F257 HydrophobicContact CE2-CD1 4.37Å; F172-F257 AromaticContact CE2-CD2 3.66Å; F172-F257 HydrophobicContact CE2-CD2 3.66Å; F172-F257 HydrophobicContact CE2-CE2 4.21Å; F172-F257 AromaticContact CE2-CG 3.74Å; F172-F257 HydrophobicContact CE2-CG 3.74Å; M173-F257 HydrophobicContact CB-CD1 4.2Å; M173-F257 HydrophobicContact CB-CE1 3.66Å; M173-F257 HydrophobicContact CB-CE2 4.43Å; M173-F257 HydrophobicContact CB-CZ 3.79Å; M173-F257 HydrophobicContact CG-CE1 3.57Å; M173-F257 HydrophobicContact CG-CE2 4.42Å; M173-F257 HydrophobicContact CG-CZ 3.48Å; M173-F257 VanDerWaalsContact CG-CZ 3.48Å; M173-F257 HydrophobicContact SD-CZ 4.09Å; I176-F257 HydrophobicContact CB-CD1 4.08Å; I176-F257 HydrophobicContact CB-CE1 4.49Å; I176-F257 HydrophobicContact CG1-CD1 4.33Å; I176-F257 HydrophobicContact CG2-CD1 4.12Å; I176-F257 HydrophobicContact CG2-CE1 4.43Å; F235-F257 AromaticContact CE1-CZ 3.98Å; F235-F257 HydrophobicContact CE1-CZ 3.98Å; I239-F257 HydrophobicContact CG1-CE2 3.85Å; I239-F257 HydrophobicContact CG1-CZ 4.24Å; I239-F257 HydrophobicContact CG2-CE2 4.1Å; I239-F257 HydrophobicContact CG2-CZ 4.3Å; F246-F257 AromaticContact CD1-CD2 3.89Å; F246-F257 HydrophobicContact CD1-CD2 3.89Å; F246-F257 AromaticContact CD2-CD2 4Å; F246-F257 HydrophobicContact CD2-CD2 4Å; F246-F257 HydrophobicContact CD2-CE2 4.29Å; F246-F257 HydrophobicContact CE1-CB 4.16Å; F246-F257 AromaticContact CE1-CD2 3.86Å; F246-F257 HydrophobicContact CE1-CD2 3.86Å; F246-F257 AromaticContact CE2-CD2 3.97Å; F246-F257 HydrophobicContact CE2-CD2 3.97Å; F246-F257 AromaticContact CG-CD2 3.97Å; F246-F257 HydrophobicContact CG-CD2 3.97Å; F246-F257 HydrophobicContact CG-CE2 4.29Å; F246-F257 HydrophobicContact CZ-CB 4.24Å; F246-F257 AromaticContact CZ-CD2 3.9Å; F246-F257 HydrophobicContact CZ-CD2 3.9Å; D253-F257 PolarHBondContact O-N 3.12Å; Q255-F257 VanDerWaalsContact C-N 3.29Å; Q255-F257 PolarHBondContact O-N 3.33Å; F257-R259 VanDerWaalsContact C-N 3.26Å; F257-R259 PolarHBondContact O-N 2.79Å; F257-Y260 PolarHBondContact O-N 2.84Å; F257-Y260 VanDerWaalsContact O-N 3.11Å; F257-V261 HydrophobicContact CD1-CG2 3.93Å; F257-V261 HydrophobicContact CD2-CG2 4.44Å; F257-V261 HydrophobicContact CE1-CG2 3.45Å; F257-V261 VanDerWaalsContact CE1-CG2 3.45Å; F257-V261 HydrophobicContact CE2-CG2 4.04Å; F257-V261 HydrophobicContact CG-CG2 4.4Å; F257-V261 HydrophobicContact CZ-CG2 3.52Å; F257-V261 WeakPolarHBondContact O-CG2 3.44Å; F257-V261 PolarHBondContact O-N 3.02Å
258	L	98.4	Very high	95.5	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-53.1	-41.4	176.7	174	63.4	0	0	0	112.5	I176 L180 S254 Q255 Y260 V261 L262 V396 V491 F493	I176-L258 HydrophobicContact CD1-CB 4Å; I176-L258 HydrophobicContact CD1-CD2 4.41Å; I176-L258 HydrophobicContact CG1-CB 4.33Å; I176-L258 HydrophobicContact CG2-CB 4.01Å; I176-L258 HydrophobicContact CG2-CD1 3.8Å; I176-L258 HydrophobicContact CG2-CG 4.49Å; L180-L258 HydrophobicContact CD1-CD1 4.03Å; L180-L258 HydrophobicContact CD2-CD1 3.95Å; L180-L258 HydrophobicContact CG-CD1 4.18Å; S254-L258 WeakPolarHBondContact O-CB 3.43Å; S254-L258 PolarHBondContact O-N 3.38Å; Q255-L258 WeakPolarHBondContact O-CB 3.44Å; Q255-L258 PolarHBondContact O-N 2.79Å; L258-Y260 PolarHBondContact O-N 2.96Å; L258-V261 PolarHBondContact O-N 3.2Å; L258-L262 HydrophobicContact CD1-CD1 3.86Å; L258-L262 HydrophobicContact CD1-CG 3.92Å; L258-L262 HydrophobicContact CG-CD1 4.07Å; L258-L262 HydrophobicContact CG-CG 4.46Å; L258-L262 WeakPolarHBondContact O-CG 3.4Å; L258-L262 PolarHBondContact O-N 3.43Å; L258-V396 HydrophobicContact CD2-CG1 3.67Å; L258-V396 HydrophobicContact CD2-CG2 4.5Å; L258-V491 HydrophobicContact CD2-CG1 4.07Å; L258-F493 HydrophobicContact CD1-CE1 4.11Å; L258-F493 HydrophobicContact CD1-CZ 4.09Å; L258-F493 HydrophobicContact CD2-CE1 4.01Å; L258-F493 HydrophobicContact CD2-CZ 3.64Å
259	R	97.1	Very high	95.9	Very high	55 Å²	55	29.1 Å²	29.1	21%	0.208	14%	0.135	C	C	.	.	H	α-helix	trans	-60	-46.7	177.8	-60.4	-176.8	84.5	84.4	17.3	112	Y100 Q255 E256 F257 V261 L262 E263 D339	Y100-R259 VanDerWaalsContact CE2-NE 3.31Å; Q255-R259 VanDerWaalsContact NE2-NH1 3.12Å; Q255-R259 WeakPolarHBondContact O-CG 3.32Å; Q255-R259 PolarHBondContact O-N 3.33Å; Q255-R259 VanDerWaalsContact O-N 3.14Å; E256-R259 PolarHBondContact O-N 2.82Å; F257-R259 VanDerWaalsContact C-N 3.26Å; F257-R259 PolarHBondContact O-N 2.79Å; R259-V261 VanDerWaalsContact C-N 3.35Å; R259-L262 PolarHBondContact O-N 2.81Å; R259-E263 WeakPolarHBondContact O-CB 3.21Å; R259-E263 PolarHBondContact O-N 3.2Å; R259-D339 IonicContact CZ-OD1 2.7Å; R259-D339 VanDerWaalsContact NH1-CG 3.31Å; R259-D339 IonicContact NH1-OD1 2.68Å; R259-D339 PolarHBondContact NH1-OD1 3.32Å; R259-D339 IonicContact NH1-OD2 3.07Å; R259-D339 PolarHBondContact NH1-OD2 2.99Å; R259-D339 IonicContact NH2-OD1 2.71Å; R259-D339 PolarHBondContact NH2-OD1 2.76Å
260	Y	97.7	Very high	96.2	Very high	39 Å²	39	21.5 Å²	21.5	15%	0.153	11%	0.106	C	C	.	.	H	α-helix	trans	-71.1	-29.4	179.7	-77.2	-81.6	0	0	0	112.8	F242 A243 R245 F246 E256 F257 L258 G264	F242-Y260 HydrophobicContact CE1-CD1 4.24Å; F242-Y260 WeakPolarHBondContact CE1-O 3.42Å; A243-Y260 HydrophobicContact CB-CD1 3.55Å; A243-Y260 HydrophobicContact CB-CE1 4.08Å; A243-Y260 HydrophobicContact CB-CG 3.95Å; R245-Y260 PolarHBondContact NH1-OH 2.66Å; F246-Y260 AromaticContact CE2-CD2 3.56Å; F246-Y260 HydrophobicContact CE2-CD2 3.56Å; F246-Y260 HydrophobicContact CE2-CE2 4.3Å; F246-Y260 AromaticContact CE2-CG 3.7Å; F246-Y260 HydrophobicContact CE2-CG 3.7Å; F246-Y260 AromaticContact CZ-CD2 3.63Å; F246-Y260 HydrophobicContact CZ-CD2 3.63Å; F246-Y260 HydrophobicContact CZ-CE2 4.24Å; F246-Y260 HydrophobicContact CZ-CG 4.24Å; E256-Y260 HydrophobicContact CG-CD2 4.27Å; E256-Y260 HydrophobicContact CG-CE2 4.01Å; E256-Y260 WeakPolarHBondContact O-CD2 3.46Å; E256-Y260 PolarHBondContact O-N 3.27Å; F257-Y260 PolarHBondContact O-N 2.84Å; F257-Y260 VanDerWaalsContact O-N 3.11Å; L258-Y260 PolarHBondContact O-N 2.96Å; Y260-G264 WeakPolarHBondContact O-CA 3.48Å; Y260-G264 PolarHBondContact O-N 3.15Å
261	V	98.2	Very high	96.5	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	10%	0.1	C	C	.	.	H	α-helix	trans	-67.3	-49.1	171	176.2	0	0	0	0	110.4	L180 F235 I239 F257 L258 R259 G264 L265	L180-V261 HydrophobicContact CD1-CG1 3.71Å; F235-V261 HydrophobicContact CE1-CG2 4.46Å; F235-V261 HydrophobicContact CZ-CG1 4.16Å; F235-V261 HydrophobicContact CZ-CG2 4Å; I239-V261 HydrophobicContact CD1-CG2 4.17Å; I239-V261 HydrophobicContact CG1-CG2 4.3Å; F257-V261 HydrophobicContact CD1-CG2 3.93Å; F257-V261 HydrophobicContact CD2-CG2 4.44Å; F257-V261 HydrophobicContact CE1-CG2 3.45Å; F257-V261 VanDerWaalsContact CE1-CG2 3.45Å; F257-V261 HydrophobicContact CE2-CG2 4.04Å; F257-V261 HydrophobicContact CG-CG2 4.4Å; F257-V261 HydrophobicContact CZ-CG2 3.52Å; F257-V261 WeakPolarHBondContact O-CG2 3.44Å; F257-V261 PolarHBondContact O-N 3.02Å; L258-V261 PolarHBondContact O-N 3.2Å; R259-V261 VanDerWaalsContact C-N 3.35Å; V261-G264 PolarHBondContact O-N 3.29Å; V261-L265 HydrophobicContact CG1-CD1 3.81Å; V261-L265 HydrophobicContact CG1-CG 4.26Å; V261-L265 WeakPolarHBondContact O-CB 3.46Å; V261-L265 VanDerWaalsContact O-CG 3.26Å; V261-L265 WeakPolarHBondContact O-CG 3.44Å; V261-L265 PolarHBondContact O-N 2.63Å
262	L	98.4	Very high	96.8	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-65	-42.2	178.9	-68.4	177.2	0	0	0	112.4	L180 L258 R259 H266 I310 F314 W338	L180-L262 HydrophobicContact CD2-CD2 4.15Å; L258-L262 HydrophobicContact CD1-CD1 3.86Å; L258-L262 HydrophobicContact CD1-CG 3.92Å; L258-L262 HydrophobicContact CG-CD1 4.07Å; L258-L262 HydrophobicContact CG-CG 4.46Å; L258-L262 WeakPolarHBondContact O-CG 3.4Å; L258-L262 PolarHBondContact O-N 3.43Å; R259-L262 PolarHBondContact O-N 2.81Å; L262-H266 WeakPolarHBondContact O-CB 3.35Å; L262-H266 PolarHBondContact O-N 3.02Å; L262-I310 HydrophobicContact CD2-CG2 3.89Å; L262-F314 HydrophobicContact CD1-CD1 3.97Å; L262-F314 HydrophobicContact CD1-CE1 4.3Å; L262-F314 HydrophobicContact CD1-CG 4.27Å; L262-F314 HydrophobicContact CD2-CD1 4.19Å; L262-F314 HydrophobicContact CD2-CD2 3.93Å; L262-F314 HydrophobicContact CD2-CE1 4.05Å; L262-F314 HydrophobicContact CD2-CE2 3.8Å; L262-F314 HydrophobicContact CD2-CG 4.13Å; L262-F314 HydrophobicContact CD2-CZ 3.85Å; L262-W338 HydrophobicContact CB-CE3 3.91Å; L262-W338 HydrophobicContact CB-CZ3 4.11Å; L262-W338 HydrophobicContact CD1-CE3 4.37Å
263	E	96.6	Very high	96.9	Very high	47 Å²	47	23 Å²	23	22%	0.22	10%	0.104	C	C	.	.	H	α-helix	trans	-63.6	-46.2	174	-173.2	-179.7	-172.1	0	0	111.1	F242 R259 H266 M267	F242-E263 HydrophobicContact CZ-CG 4.21Å; R259-E263 WeakPolarHBondContact O-CB 3.21Å; R259-E263 PolarHBondContact O-N 3.2Å; E263-H266 WeakPolarHBondContact O-CB 3.04Å; E263-H266 PolarHBondContact O-N 3.41Å; E263-M267 VanDerWaalsContact O-CG 3.3Å; E263-M267 WeakPolarHBondContact O-CG 3.44Å; E263-M267 PolarHBondContact O-N 2.83Å
264	G	97.4	Very high	96.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.7	-48	179.7	0	0	0	0	0	112.9	F242 Y260 V261 H266 M267 E268	F242-G264 VanDerWaalsContact CE1-CA 3.43Å; F242-G264 VanDerWaalsContact CZ-CA 3.4Å; Y260-G264 WeakPolarHBondContact O-CA 3.48Å; Y260-G264 PolarHBondContact O-N 3.15Å; V261-G264 PolarHBondContact O-N 3.29Å; G264-H266 VanDerWaalsContact C-N 3.34Å; G264-H266 PolarHBondContact O-N 3.05Å; G264-M267 PolarHBondContact O-N 3.22Å; G264-E268 WeakPolarHBondContact O-CG 3.49Å; G264-E268 PolarHBondContact O-N 3.03Å
265	L	98.3	Very high	96.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62	-42.2	174.2	-67.5	177.5	0	0	0	111.1	F210 Y213 V261 M267 E268 V269 I310	F210-L265 HydrophobicContact CB-CD2 4.33Å; F210-L265 HydrophobicContact CD2-CB 3.96Å; F210-L265 HydrophobicContact CD2-CD2 3.59Å; F210-L265 HydrophobicContact CD2-CG 4.36Å; F210-L265 WeakPolarHBondContact CD2-O 3.41Å; F210-L265 HydrophobicContact CE2-CB 3.8Å; F210-L265 HydrophobicContact CE2-CD2 3.89Å; F210-L265 HydrophobicContact CE2-CG 4.34Å; F210-L265 HydrophobicContact CG-CD2 3.93Å; F210-L265 HydrophobicContact CZ-CD2 4.46Å; Y213-L265 HydrophobicContact CD1-CD1 4Å; Y213-L265 HydrophobicContact CD1-CD2 4.02Å; Y213-L265 HydrophobicContact CD2-CD1 4.03Å; Y213-L265 HydrophobicContact CD2-CD2 4.39Å; Y213-L265 HydrophobicContact CE1-CD1 4.07Å; Y213-L265 HydrophobicContact CE2-CD1 4.08Å; Y213-L265 HydrophobicContact CG-CD1 3.99Å; Y213-L265 HydrophobicContact CG-CD2 3.77Å; V261-L265 HydrophobicContact CG1-CD1 3.81Å; V261-L265 HydrophobicContact CG1-CG 4.26Å; V261-L265 WeakPolarHBondContact O-CB 3.46Å; V261-L265 VanDerWaalsContact O-CG 3.26Å; V261-L265 WeakPolarHBondContact O-CG 3.44Å; V261-L265 PolarHBondContact O-N 2.63Å; L265-M267 PolarHBondContact O-N 3.3Å; L265-E268 PolarHBondContact O-N 3.17Å; L265-V269 WeakPolarHBondContact O-CG2 3.22Å; L265-V269 PolarHBondContact O-N 3.29Å; L265-I310 HydrophobicContact CB-CD1 4.43Å; L265-I310 HydrophobicContact CB-CG1 4.32Å
266	H	98.2	Very high	96.4	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.019	16%	0.161	C	C	.	.	H	α-helix	trans	-58.9	-47.5	174.8	165.5	59.9	0	0	0	112.8	L262 E263 G264 E268 V269 N270 R275 D306 S308 I310 V311 W338	L262-H266 WeakPolarHBondContact O-CB 3.35Å; L262-H266 PolarHBondContact O-N 3.02Å; E263-H266 WeakPolarHBondContact O-CB 3.04Å; E263-H266 PolarHBondContact O-N 3.41Å; G264-H266 VanDerWaalsContact C-N 3.34Å; G264-H266 PolarHBondContact O-N 3.05Å; H266-E268 PolarHBondContact O-N 3.13Å; H266-V269 CarbonylContact O-C 3.53Å; H266-V269 PolarHBondContact O-N 3.19Å; H266-N270 PolarHBondContact CE1-ND2 3.25Å; H266-N270 PolarHBondContact NE2-ND2 3.48Å; H266-N270 WeakPolarHBondContact O-CA 3.39Å; H266-N270 WeakPolarHBondContact O-CB 3.27Å; H266-N270 PolarHBondContact O-N 2.74Å; H266-R275 PolarHBondContact NE2-NH2 2.94Å; H266-R275 VanDerWaalsContact NE2-NH2 3.14Å; H266-D306 IonicContact NE2-OD1 3.67Å; H266-D306 PolarHBondContact NE2-OD1 3.38Å; H266-S308 PolarHBondContact ND1-OG 2.96Å; H266-I310 HydrophobicContact CB-CB 4.37Å; H266-V311 WeakPolarHBondContact ND1-CG2 3.23Å; H266-W338 HydrophobicContact CB-CH2 3.6Å; H266-W338 HydrophobicContact CB-CZ3 4.19Å; H266-W338 AromaticContact CG-CH2 3.62Å
267	M	97.1	Very high	96.2	Very high	25 Å²	25	41.5 Å²	41.5	12%	0.123	19%	0.193	C	C	.	.	H	α-helix	trans	-55.4	-38.7	179	-76.2	-56.4	-50.7	0	0	112.5	F242 E263 G264 L265 R275	F242-M267 HydrophobicContact CE2-CB 4.44Å; F242-M267 HydrophobicContact CE2-CG 4.11Å; F242-M267 HydrophobicContact CZ-CG 4.27Å; E263-M267 VanDerWaalsContact O-CG 3.3Å; E263-M267 WeakPolarHBondContact O-CG 3.44Å; E263-M267 PolarHBondContact O-N 2.83Å; G264-M267 PolarHBondContact O-N 3.22Å; L265-M267 PolarHBondContact O-N 3.3Å; M267-R275 VanDerWaalsContact SD-CZ 3.54Å; M267-R275 PolarHBondContact SD-NH1 2.91Å; M267-R275 PolarHBondContact SD-NH2 3.34Å
268	E	97.5	Very high	95.8	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.009	22%	0.223	C	C	.	.	H	α-helix	trans	-75.9	-26.3	-175.5	-61.6	-86.8	77.6	0	0	113.1	I199 N200 S203 M205 N206 G207 L208 L209 F210 G264 L265 H266	I199-E268 CarbonylContact C-O 3.56Å; I199-E268 WeakPolarHBondContact CA-O 3.17Å; N200-E268 PolarHBondContact N-O 3.03Å; S203-E268 WeakPolarHBondContact CB-OE1 3.45Å; S203-E268 PolarHBondContact OG-OE1 2.66Å; M205-E268 WeakPolarHBondContact CB-OE1 3.36Å; M205-E268 WeakPolarHBondContact CB-OE2 3.14Å; N206-E268 PolarHBondContact N-OE1 3.26Å; G207-E268 VanDerWaalsContact CA-CD 3.41Å; G207-E268 WeakPolarHBondContact CA-OE2 3.48Å; G207-E268 VanDerWaalsContact N-CD 3.3Å; G207-E268 PolarHBondContact N-OE1 2.84Å; G207-E268 PolarHBondContact N-OE2 3.33Å; L208-E268 PolarHBondContact N-OE2 3.36Å; L209-E268 WeakPolarHBondContact CA-OE2 3.35Å; L209-E268 HydrophobicContact CB-CG 4.1Å; L209-E268 VanDerWaalsContact CB-OE2 3.3Å; L209-E268 WeakPolarHBondContact CB-OE2 3.48Å; L209-E268 PolarHBondContact N-OE2 3.09Å; F210-E268 HydrophobicContact CB-CB 3.84Å; F210-E268 HydrophobicContact CB-CG 4.36Å; F210-E268 HydrophobicContact CD2-CB 4.17Å; F210-E268 PolarHBondContact N-OE2 3.01Å; G264-E268 WeakPolarHBondContact O-CG 3.49Å; G264-E268 PolarHBondContact O-N 3.03Å; L265-E268 PolarHBondContact O-N 3.17Å; H266-E268 PolarHBondContact O-N 3.13Å
269	V	98	Very high	95.4	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	24.1	176.7	-65.3	0	0	0	0	113.8	Y189 F195 D198 I199 F210 L265 H266 R271 S308 I310	Y189-V269 HydrophobicContact CE1-CG2 4.42Å; F195-V269 HydrophobicContact CB-CG1 4.23Å; D198-V269 HydrophobicContact CB-CB 4.11Å; D198-V269 HydrophobicContact CB-CG1 4.28Å; D198-V269 WeakPolarHBondContact O-CA 3.39Å; I199-V269 HydrophobicContact CD1-CG1 4.06Å; F210-V269 HydrophobicContact CD2-CB 4.47Å; F210-V269 HydrophobicContact CD2-CG1 3.7Å; F210-V269 HydrophobicContact CD2-CG2 4Å; F210-V269 HydrophobicContact CE2-CB 4.41Å; F210-V269 HydrophobicContact CE2-CG1 3.87Å; F210-V269 HydrophobicContact CE2-CG2 3.6Å; F210-V269 HydrophobicContact CG-CG1 4.15Å; F210-V269 HydrophobicContact CZ-CG1 4.45Å; F210-V269 HydrophobicContact CZ-CG2 4.47Å; L265-V269 WeakPolarHBondContact O-CG2 3.22Å; L265-V269 PolarHBondContact O-N 3.29Å; H266-V269 CarbonylContact O-C 3.53Å; H266-V269 PolarHBondContact O-N 3.19Å; V269-R271 PolarHBondContact O-N 2.9Å; V269-S308 WeakPolarHBondContact O-CB 3.23Å; V269-I310 HydrophobicContact CG2-CD1 4.5Å; V269-I310 HydrophobicContact CG2-CG1 4.04Å
270	N	97.9	Very high	95.1	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.011	28%	0.275	C	S	.	.			trans	-70.3	116	176.2	-172.3	-7.6	0	0	0	109.8	N200 H266 V272 M305 N307	N200-N270 WeakPolarHBondContact CB-O 3.27Å; N200-N270 PolarHBondContact ND2-O 3.41Å; H266-N270 PolarHBondContact CE1-ND2 3.25Å; H266-N270 PolarHBondContact NE2-ND2 3.48Å; H266-N270 WeakPolarHBondContact O-CA 3.39Å; H266-N270 WeakPolarHBondContact O-CB 3.27Å; H266-N270 PolarHBondContact O-N 2.74Å; N270-V272 PolarHBondContact O-N 3.32Å; N270-V272 VanDerWaalsContact O-N 3.08Å; N270-V272 WeakPolarHBondContact OD1-CB 3.3Å; N270-V272 PolarHBondContact OD1-N 3.35Å; N270-M305 PolarHBondContact ND2-O 3.34Å; N270-N307 PolarHBondContact OD1-N 3.5Å; N270-N307 VanDerWaalsContact OD1-N 3.13Å; N270-N307 PolarHBondContact OD1-O 2.85Å
271	R	96.9	Very high	94.7	Very high	86 Å²	86	56.3 Å²	56.3	33%	0.325	28%	0.276	S	S	.	.	S	Bend	trans	-60.2	-21.4	179.6	-57.7	165.9	-171.3	140	-5.7	111.4	V269 Q273 N307 S308 E309 D312	V269-R271 PolarHBondContact O-N 2.9Å; R271-Q273 PolarHBondContact O-N 3.48Å; R271-N307 VanDerWaalsContact CB-O 3.26Å; R271-N307 WeakPolarHBondContact CB-O 3.18Å; R271-N307 WeakPolarHBondContact CD-OD1 3.39Å; R271-N307 VanDerWaalsContact CG-O 3.29Å; R271-N307 WeakPolarHBondContact CG-O 3.38Å; R271-N307 PolarHBondContact N-O 3.24Å; R271-N307 PolarHBondContact NH1-OD1 2.87Å; R271-S308 VanDerWaalsContact CZ-C 3.47Å; R271-E309 VanDerWaalsContact NH2-N 3.2Å; R271-E309 IonicContact NH2-OE2 3.87Å; R271-E309 PolarHBondContact NH2-OE2 3.23Å; R271-D312 IonicContact CZ-OD2 2.72Å; R271-D312 IonicContact NH1-OD1 2.74Å; R271-D312 IonicContact NH1-OD2 2.66Å; R271-D312 PolarHBondContact NH1-OD2 2.85Å; R271-D312 IonicContact NH2-OD2 3.03Å; R271-D312 PolarHBondContact NH2-OD2 3.41Å
272	V	95.6	Very high	94.4	Very high	26 Å²	26	60.6 Å²	60.6	16%	0.158	30%	0.299	C	S	.	.			trans	-77.5	92.9	171.1	-174.7	0	0	0	0	110.9	N200 N270 K274 N307	N200-V272 PolarHBondContact ND2-O 2.76Å; N270-V272 PolarHBondContact O-N 3.32Å; N270-V272 VanDerWaalsContact O-N 3.08Å; N270-V272 WeakPolarHBondContact OD1-CB 3.3Å; N270-V272 PolarHBondContact OD1-N 3.35Å; V272-K274 WeakPolarHBondContact CG1-O 3.34Å; V272-K274 PolarHBondContact O-N 3.14Å; V272-N307 HydrophobicContact CG2-CB 4.16Å
273	Q	92.5	Very high	93.9	Very high	94 Å²	94	64.5 Å²	64.5	44%	0.439	31%	0.314	S	S	.	.	S	Bend	trans	-64.2	-5.9	-178.8	-60.6	-66.9	-47.4	0	0	115.3	N200 K201 S202 R271	N200-Q273 PolarHBondContact OD1-OE1 2.93Å; K201-Q273 VanDerWaalsContact N-OE1 3.15Å; S202-Q273 WeakPolarHBondContact CB-O 3.47Å; S202-Q273 PolarHBondContact OG-O 2.87Å; R271-Q273 PolarHBondContact O-N 3.48Å
274	K	91.7	Very high	93.4	Very high	178 Å²	178	68.1 Å²	68.1	77%	0.774	33%	0.331	S	S	*	.	S	Bend	trans	-163.2	116.6	165.3	-176.2	175	-179.4	178.3	0	109	V272	V272-K274 WeakPolarHBondContact CG1-O 3.34Å; V272-K274 PolarHBondContact O-N 3.14Å
275	R	91.1	Very high	93.2	Very high	86 Å²	86	70.7 Å²	70.7	33%	0.325	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-58.8	130.5	176.9	-72	-169.4	176.3	121.7	3.9	110.6	H266 M267 M305 D306	H266-R275 PolarHBondContact NE2-NH2 2.94Å; H266-R275 VanDerWaalsContact NE2-NH2 3.14Å; M267-R275 VanDerWaalsContact SD-CZ 3.54Å; M267-R275 PolarHBondContact SD-NH1 2.91Å; M267-R275 PolarHBondContact SD-NH2 3.34Å; R275-M305 HydrophobicContact CG-CB 4.23Å; R275-M305 WeakPolarHBondContact CG-O 3.35Å; R275-M305 PolarHBondContact NE-O 3.28Å; R275-D306 IonicContact CZ-OD1 2.99Å; R275-D306 IonicContact NE-OD1 2.72Å; R275-D306 PolarHBondContact NE-OD1 2.88Å; R275-D306 IonicContact NH2-OD1 3.67Å; R275-D306 PolarHBondContact NH2-OD1 3.43Å
276	P	92.6	Very high	92.9	Very high	65 Å²	65	71.1 Å²	71.1	42%	0.422	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-68.8	168.2	168.8	30.7	-35.7	0	0	0	110.8	S304 M305	P276-S304 WeakPolarHBondContact CD-O 3.35Å; P276-S304 WeakPolarHBondContact CG-O 3.17Å; P276-M305 HydrophobicContact CG-CG 4Å
277	N	91.7	Very high	92.5	Very high	153 Å²	153	72.2 Å²	72.2	82%	0.818	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-63.5	134.2	166.5	-68.9	-19.8	0	0	0	109.1	I279	N277-I279 PolarHBondContact O-N 3.16Å
278	P	89.4	Confident	92.3	Very high	98 Å²	98	76 Å²	76	64%	0.636	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-55.3	131.1	178	-27.7	35	0	0	0	112.5	K280 M305	P278-K280 PolarHBondContact O-N 3.43Å; P278-M305 HydrophobicContact CB-SD 4.19Å; P278-M305 HydrophobicContact CG-SD 3.99Å
279	I	89.9	Confident	92.2	Very high	106 Å²	106	78.8 Å²	78.8	54%	0.544	40%	0.403	S	S	.	.			trans	-71.7	112.8	175.7	-60.9	175.3	0	0	0	108.1	N277 P281	N277-I279 PolarHBondContact O-N 3.16Å; I279-P281 WeakPolarHBondContact O-CD 3.3Å
280	K	90.1	Very high	92	Very high	178 Å²	178	81.8 Å²	81.8	77%	0.774	42%	0.423	S	S	*	.			trans	-60.3	124.6	172.7	-174.9	-169.4	173.5	-165.3	0	109.4	P278	P278-K280 PolarHBondContact O-N 3.43Å
281	P	89.7	Confident	91.9	Very high	27 Å²	27	84.3 Å²	84.3	18%	0.175	44%	0.436	C	S	.	.			trans	-62	143.2	174.7	-25.7	36.6	0	0	0	112.9	I279 Y283 E286	I279-P281 WeakPolarHBondContact O-CD 3.3Å; P281-Y283 HydrophobicContact CB-CD1 3.97Å; P281-Y283 HydrophobicContact CB-CD2 4.36Å; P281-Y283 HydrophobicContact CB-CE1 3.63Å; P281-Y283 HydrophobicContact CB-CE2 4.07Å; P281-Y283 HydrophobicContact CB-CG 4.33Å; P281-Y283 HydrophobicContact CG-CE1 3.98Å; P281-Y283 HydrophobicContact CG-CE2 4.49Å; P281-E286 WeakPolarHBondContact CA-OE1 3.5Å
282	D	92.2	Very high	91.9	Very high	91 Å²	91	83.7 Å²	83.7	49%	0.487	44%	0.439	S	S	.	.			trans	-93.8	89.3	159.2	-175.6	-20.3	0	0	0	107.5	E284 A285 E286	D282-E284 PolarHBondContact O-N 2.88Å; D282-E284 PolarHBondContact OD1-N 2.86Å; D282-E284 VanDerWaalsContact OD1-N 3.09Å; D282-A285 HydrophobicContact CB-CB 4.18Å; D282-A285 PolarHBondContact O-N 3.29Å; D282-A285 PolarHBondContact OD1-N 3.37Å; D282-A285 VanDerWaalsContact OD1-N 3.08Å; D282-E286 PolarHBondContact N-OE1 2.9Å; D282-E286 WeakPolarHBondContact O-CB 3.47Å; D282-E286 WeakPolarHBondContact O-CG 3.42Å; D282-E286 PolarHBondContact O-N 2.93Å
283	Y	87.9	Confident	91.9	Very high	86 Å²	86	87.5 Å²	87.5	34%	0.337	46%	0.455	S	S	.	.	H	α-helix	trans	-61.9	-23.8	-177.1	-61.1	-71.4	0	0	0	113.5	M27 P281 D287 T333	M27-Y283 HydrophobicContact CE-CD1 3.44Å; M27-Y283 VanDerWaalsContact CE-CD1 3.44Å; M27-Y283 HydrophobicContact CE-CE1 3.53Å; M27-Y283 HydrophobicContact CE-CG 4.06Å; M27-Y283 HydrophobicContact SD-CD1 3.93Å; M27-Y283 HydrophobicContact SD-CE1 3.38Å; M27-Y283 WeakPolarHBondContact SD-CE1 3.15Å; M27-Y283 HydrophobicContact SD-CE2 4.24Å; M27-Y283 VanDerWaalsContact SD-CZ 3.54Å; P281-Y283 HydrophobicContact CB-CD1 3.97Å; P281-Y283 HydrophobicContact CB-CD2 4.36Å; P281-Y283 HydrophobicContact CB-CE1 3.63Å; P281-Y283 HydrophobicContact CB-CE2 4.07Å; P281-Y283 HydrophobicContact CB-CG 4.33Å; P281-Y283 HydrophobicContact CG-CE1 3.98Å; P281-Y283 HydrophobicContact CG-CE2 4.49Å; Y283-D287 WeakPolarHBondContact O-CB 3.44Å; Y283-D287 PolarHBondContact O-N 2.79Å; Y283-T333 HydrophobicContact CE1-CG2 4.49Å
284	E	86.4	Confident	92.1	Very high	123 Å²	123	83.1 Å²	83.1	58%	0.575	43%	0.434	S	S	*	.	H	α-helix	trans	-82.2	-37.9	-177.8	-58.7	-164.6	-172.2	0	0	111	D282 K377	D282-E284 PolarHBondContact O-N 2.88Å; D282-E284 PolarHBondContact OD1-N 2.86Å; D282-E284 VanDerWaalsContact OD1-N 3.09Å; E284-K377 VanDerWaalsContact CD-NZ 3.25Å; E284-K377 IonicContact OE1-NZ 2.63Å; E284-K377 PolarHBondContact OE1-NZ 3.25Å; E284-K377 IonicContact OE2-NZ 3.31Å; E284-K377 PolarHBondContact OE2-NZ 2.98Å
285	A	91.7	Very high	92.4	Very high	55 Å²	55	74.7 Å²	74.7	46%	0.455	40%	0.398	S	S	.	.	H	α-helix	trans	-72.8	-38.9	169.6	0	0	0	0	0	112.6	D282 C288	D282-A285 HydrophobicContact CB-CB 4.18Å; D282-A285 PolarHBondContact O-N 3.29Å; D282-A285 PolarHBondContact OD1-N 3.37Å; D282-A285 VanDerWaalsContact OD1-N 3.08Å; A285-C288 WeakPolarHBondContact O-CB 3.4Å; A285-C288 PolarHBondContact O-N 3.31Å
286	E	93.3	Very high	92.7	Very high	8 Å²	8	74.7 Å²	74.7	4%	0.037	41%	0.405	C	S	.	.	H	α-helix	trans	-76.8	-27.3	-176.9	-66.9	167	-150.1	0	0	112.9	P281 D282 C288 L289 K294 L297 Y298 R301	P281-E286 WeakPolarHBondContact CA-OE1 3.5Å; D282-E286 PolarHBondContact N-OE1 2.9Å; D282-E286 WeakPolarHBondContact O-CB 3.47Å; D282-E286 WeakPolarHBondContact O-CG 3.42Å; D282-E286 PolarHBondContact O-N 2.93Å; E286-C288 PolarHBondContact O-N 2.99Å; E286-L289 HydrophobicContact CG-CD1 4.38Å; E286-L289 PolarHBondContact O-N 2.85Å; E286-K294 VanDerWaalsContact O-CD 3.23Å; E286-K294 WeakPolarHBondContact O-CD 3.38Å; E286-K294 WeakPolarHBondContact O-CE 3.24Å; E286-K294 PolarHBondContact O-NZ 3.19Å; E286-L297 HydrophobicContact CG-CD2 3.93Å; E286-Y298 WeakPolarHBondContact OE2-CE2 3.49Å; E286-Y298 VanDerWaalsContact OE2-CZ 3.26Å; E286-Y298 PolarHBondContact OE2-OH 3.03Å; E286-R301 IonicContact OE1-CZ 2.88Å; E286-R301 VanDerWaalsContact OE1-CZ 3.25Å; E286-R301 IonicContact OE1-NH1 3.83Å; E286-R301 PolarHBondContact OE1-NH1 3.31Å; E286-R301 IonicContact OE1-NH2 2.89Å; E286-R301 PolarHBondContact OE1-NH2 2.73Å; E286-R301 IonicContact OE2-CZ 3.49Å; E286-R301 IonicContact OE2-NH1 2.61Å; E286-R301 PolarHBondContact OE2-NH1 3.22Å; E286-R301 IonicContact OE2-NH2 2.7Å
287	D	90.3	Very high	92.9	Very high	27 Å²	27	73.4 Å²	73.4	14%	0.144	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-8.1	168.4	-84.7	-4.2	0	0	0	113.3	Y283 K294 F329 S331	Y283-D287 WeakPolarHBondContact O-CB 3.44Å; Y283-D287 PolarHBondContact O-N 2.79Å; D287-K294 IonicContact OD1-NZ 2.92Å; D287-K294 PolarHBondContact OD1-NZ 2.92Å; D287-F329 HydrophobicContact CB-CZ 3.94Å; D287-F329 WeakPolarHBondContact OD2-CE1 3.49Å; D287-F329 WeakPolarHBondContact OD2-CZ 3.39Å; D287-S331 PolarHBondContact OD1-OG 3.09Å; D287-S331 WeakPolarHBondContact OD2-CB 3.43Å; D287-S331 PolarHBondContact OD2-OG 3.34Å
288	C	91.5	Very high	93.1	Very high	104 Å²	104	67.5 Å²	67.5	70%	0.703	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-7.4	170.9	-69.1	0	0	0	0	114	A285 E286	A285-C288 WeakPolarHBondContact O-CB 3.4Å; A285-C288 PolarHBondContact O-N 3.31Å; E286-C288 PolarHBondContact O-N 2.99Å
289	L	94.8	Very high	93.5	Very high	61 Å²	61	64.7 Å²	64.7	32%	0.319	34%	0.337	S	S	.	.	S	Bend	trans	-80.8	144.8	177.8	-64.6	176.1	0	0	0	111.6	E286 K294 L297	E286-L289 HydrophobicContact CG-CD1 4.38Å; E286-L289 PolarHBondContact O-N 2.85Å; L289-K294 HydrophobicContact CB-CB 4.16Å; L289-L297 HydrophobicContact CD1-CD2 3.9Å
290	P	95.6	Very high	93.8	Very high	64 Å²	64	67.5 Å²	67.5	42%	0.416	34%	0.341	S	S	.	.			trans	-54.3	140.9	164.5	-25.9	36.1	0	0	0	111.9	N292 E293 K294	P290-N292 WeakPolarHBondContact CB-OD1 3.49Å; P290-N292 PolarHBondContact O-N 2.9Å; P290-N292 VanDerWaalsContact O-N 3.13Å; P290-E293 HydrophobicContact CB-CG 4.46Å; P290-E293 PolarHBondContact O-N 2.77Å; P290-K294 PolarHBondContact O-N 2.9Å
291	D	95.5	Very high	94.2	Very high	54 Å²	54	61.1 Å²	61.1	29%	0.289	31%	0.312	S	S	.	.	H	α-helix	trans	-57.7	-32.4	-174.3	-82.9	-43	0	0	0	113.4	A295 M319 T332 F334	D291-A295 WeakPolarHBondContact O-CB 3.47Å; D291-A295 PolarHBondContact O-N 3.31Å; D291-M319 HydrophobicContact CB-SD 4.49Å; D291-T332 VanDerWaalsContact OD1-CB 3.32Å; D291-T332 WeakPolarHBondContact OD1-CB 3.35Å; D291-T332 WeakPolarHBondContact OD1-CG2 3.45Å; D291-T332 PolarHBondContact OD1-OG1 2.96Å; D291-F334 HydrophobicContact CB-CZ 3.96Å; D291-F334 WeakPolarHBondContact O-CZ 3.49Å
292	N	95.8	Very high	94.5	Very high	74 Å²	74	60.8 Å²	60.8	40%	0.396	31%	0.308	S	S	.	.	H	α-helix	trans	-68.5	-37.2	173.6	64.3	-52.1	0	0	0	112.9	P290 N296	P290-N292 WeakPolarHBondContact CB-OD1 3.49Å; P290-N292 PolarHBondContact O-N 2.9Å; P290-N292 VanDerWaalsContact O-N 3.13Å; N292-N296 WeakPolarHBondContact O-CB 3.36Å; N292-N296 PolarHBondContact O-N 3.42Å; N292-N296 PolarHBondContact O-ND2 2.92Å
293	E	96.9	Very high	94.7	Very high	105 Å²	105	58.6 Å²	58.6	49%	0.491	30%	0.296	S	S	.	.	H	α-helix	trans	-72.9	-39.9	175.7	-70.3	-175.2	-150.1	0	0	111.3	P290 N296 L297	P290-E293 HydrophobicContact CB-CG 4.46Å; P290-E293 PolarHBondContact O-N 2.77Å; E293-N296 CarbonylContact O-C 3.55Å; E293-N296 PolarHBondContact O-N 2.84Å; E293-L297 WeakPolarHBondContact O-CB 3.48Å; E293-L297 PolarHBondContact O-N 3.39Å
294	K	97	Very high	95.1	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.009	30%	0.296	C	S	.	.	H	α-helix	trans	-64.6	-45.3	175.9	-160.4	178.5	-170.9	-178.1	0	111.4	E286 D287 L289 P290 N296 L297 Y298 T332 F334	E286-K294 VanDerWaalsContact O-CD 3.23Å; E286-K294 WeakPolarHBondContact O-CD 3.38Å; E286-K294 WeakPolarHBondContact O-CE 3.24Å; E286-K294 PolarHBondContact O-NZ 3.19Å; D287-K294 IonicContact OD1-NZ 2.92Å; D287-K294 PolarHBondContact OD1-NZ 2.92Å; L289-K294 HydrophobicContact CB-CB 4.16Å; P290-K294 PolarHBondContact O-N 2.9Å; K294-N296 VanDerWaalsContact C-N 3.33Å; K294-N296 PolarHBondContact O-N 3.05Å; K294-L297 WeakPolarHBondContact O-CB 3.15Å; K294-L297 PolarHBondContact O-N 2.96Å; K294-L297 VanDerWaalsContact O-N 3.14Å; K294-Y298 HydrophobicContact CG-CD2 4.18Å; K294-Y298 HydrophobicContact CG-CE2 3.95Å; K294-Y298 WeakPolarHBondContact O-CD2 3.46Å; K294-Y298 PolarHBondContact O-N 3.04Å; K294-T332 WeakPolarHBondContact CE-O 3.33Å; K294-T332 PolarHBondContact NZ-O 2.76Å; K294-T332 PolarHBondContact NZ-OG1 3.08Å; K294-T332 VanDerWaalsContact NZ-OG1 3.16Å; K294-F334 HydrophobicContact CB-CD2 4.23Å; K294-F334 HydrophobicContact CB-CE2 3.84Å; K294-F334 HydrophobicContact CD-CD2 4.35Å; K294-F334 HydrophobicContact CD-CE2 3.98Å; K294-F334 HydrophobicContact CG-CD2 4.04Å; K294-F334 HydrophobicContact CG-CE2 3.95Å
295	A	97.1	Very high	95.5	Very high	2 Å²	2	52.9 Å²	52.9	2%	0.017	28%	0.278	C	S	.	.	H	α-helix	trans	-53.4	-49	171.1	0	0	0	0	0	112.1	D291 L297 Y298 W299 Q317 F334 Q389	D291-A295 WeakPolarHBondContact O-CB 3.47Å; D291-A295 PolarHBondContact O-N 3.31Å; A295-L297 PolarHBondContact O-N 3.41Å; A295-Y298 PolarHBondContact O-N 3.43Å; A295-W299 VanDerWaalsContact O-CB 3.31Å; A295-W299 WeakPolarHBondContact O-CB 3.26Å; A295-W299 PolarHBondContact O-N 2.75Å; A295-Q317 PolarHBondContact O-NE2 2.99Å; A295-Q317 VanDerWaalsContact O-NE2 3.16Å; A295-F334 HydrophobicContact CB-CD1 3.81Å; A295-F334 HydrophobicContact CB-CD2 4.43Å; A295-F334 HydrophobicContact CB-CE1 3.75Å; A295-F334 HydrophobicContact CB-CE2 4.39Å; A295-F334 HydrophobicContact CB-CG 4.14Å; A295-F334 HydrophobicContact CB-CZ 4.05Å; A295-Q389 HydrophobicContact CB-CG 3.52Å
296	N	97.2	Very high	95.8	Very high	86 Å²	86	51.3 Å²	51.3	46%	0.46	26%	0.262	S	S	.	.	H	α-helix	trans	-67.9	-29	178.1	-78.3	-50.8	0	0	0	113.6	N292 E293 K294 R300	N292-N296 WeakPolarHBondContact O-CB 3.36Å; N292-N296 PolarHBondContact O-N 3.42Å; N292-N296 PolarHBondContact O-ND2 2.92Å; E293-N296 CarbonylContact O-C 3.55Å; E293-N296 PolarHBondContact O-N 2.84Å; K294-N296 VanDerWaalsContact C-N 3.33Å; K294-N296 PolarHBondContact O-N 3.05Å; N296-R300 WeakPolarHBondContact O-CB 3.43Å; N296-R300 VanDerWaalsContact O-CG 3.24Å; N296-R300 WeakPolarHBondContact O-CG 3.29Å; N296-R300 PolarHBondContact O-N 2.99Å; N296-R300 VanDerWaalsContact O-N 3.14Å; N296-R300 PolarHBondContact O-NE 3.24Å
297	L	97	Very high	96	Very high	38 Å²	38	53.1 Å²	53.1	20%	0.199	27%	0.272	C	S	.	.	H	α-helix	trans	-67.8	-48.8	170.9	175.1	61.8	0	0	0	111	E286 L289 E293 K294 A295 R300 R301	E286-L297 HydrophobicContact CG-CD2 3.93Å; L289-L297 HydrophobicContact CD1-CD2 3.9Å; E293-L297 WeakPolarHBondContact O-CB 3.48Å; E293-L297 PolarHBondContact O-N 3.39Å; K294-L297 WeakPolarHBondContact O-CB 3.15Å; K294-L297 PolarHBondContact O-N 2.96Å; K294-L297 VanDerWaalsContact O-N 3.14Å; A295-L297 PolarHBondContact O-N 3.41Å; L297-R300 PolarHBondContact O-N 2.86Å; L297-R301 WeakPolarHBondContact O-CG 3.18Å; L297-R301 PolarHBondContact O-N 3.44Å
298	Y	96.6	Very high	96.4	Very high	28 Å²	28	51.8 Å²	51.8	11%	0.11	27%	0.265	C	S	.	.	H	α-helix	trans	-67.1	-38.9	180	-80.6	-120.4	0	0	0	111.4	E286 K294 A295 R301 Y302 F334	E286-Y298 WeakPolarHBondContact OE2-CE2 3.49Å; E286-Y298 VanDerWaalsContact OE2-CZ 3.26Å; E286-Y298 PolarHBondContact OE2-OH 3.03Å; K294-Y298 HydrophobicContact CG-CD2 4.18Å; K294-Y298 HydrophobicContact CG-CE2 3.95Å; K294-Y298 WeakPolarHBondContact O-CD2 3.46Å; K294-Y298 PolarHBondContact O-N 3.04Å; A295-Y298 PolarHBondContact O-N 3.43Å; Y298-R301 WeakPolarHBondContact O-CB 3.31Å; Y298-R301 PolarHBondContact O-N 2.87Å; Y298-Y302 PolarHBondContact O-N 2.69Å; Y298-F334 HydrophobicContact CD1-CB 4.09Å; Y298-F334 WeakPolarHBondContact CD1-O 3.24Å; Y298-F334 HydrophobicContact CG-CB 3.95Å
299	W	97.1	Very high	96.7	Very high	40 Å²	40	48.6 Å²	48.6	15%	0.152	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-42.1	175.8	-167.6	-110.6	0	0	0	112	A295 Y302 L303 V315 Q317 K390	A295-W299 VanDerWaalsContact O-CB 3.31Å; A295-W299 WeakPolarHBondContact O-CB 3.26Å; A295-W299 PolarHBondContact O-N 2.75Å; W299-Y302 HydrophobicContact CE3-CD1 4.33Å; W299-Y302 HydrophobicContact CH2-CD1 4.36Å; W299-Y302 HydrophobicContact CH2-CE1 4.42Å; W299-Y302 HydrophobicContact CZ3-CD1 4.07Å; W299-Y302 HydrophobicContact CZ3-CE1 4.39Å; W299-Y302 PolarHBondContact O-N 2.89Å; W299-L303 HydrophobicContact CZ2-CD2 4.38Å; W299-L303 WeakPolarHBondContact O-CG 3.35Å; W299-L303 PolarHBondContact O-N 2.81Å; W299-V315 HydrophobicContact CH2-CB 4.22Å; W299-V315 HydrophobicContact CH2-CG1 3.8Å; W299-V315 HydrophobicContact CZ3-CG1 3.96Å; W299-Q317 HydrophobicContact CE3-CB 4.11Å; W299-Q317 HydrophobicContact CE3-CG 4.33Å; W299-Q317 HydrophobicContact CZ3-CB 4.19Å; W299-K390 HydrophobicContact CD2-CD 4.35Å; W299-K390 HydrophobicContact CE3-CD 4.39Å; W299-K390 HydrophobicContact CH2-CD 3.69Å; W299-K390 HydrophobicContact CZ2-CD 3.61Å; W299-K390 HydrophobicContact CZ3-CD 4.08Å
300	R	96.9	Very high	96.9	Very high	164 Å²	164	45.7 Å²	45.7	62%	0.619	22%	0.224	S	C	*	.	H	α-helix	trans	-65.2	-37	172.6	-75.1	179.7	-63.6	161.1	-0.3	113	N296 L297 S304	N296-R300 WeakPolarHBondContact O-CB 3.43Å; N296-R300 VanDerWaalsContact O-CG 3.24Å; N296-R300 WeakPolarHBondContact O-CG 3.29Å; N296-R300 PolarHBondContact O-N 2.99Å; N296-R300 VanDerWaalsContact O-N 3.14Å; N296-R300 PolarHBondContact O-NE 3.24Å; L297-R300 PolarHBondContact O-N 2.86Å; R300-S304 PolarHBondContact O-N 3.07Å; R300-S304 VanDerWaalsContact O-N 3.09Å
301	R	96.7	Very high	97	Very high	45 Å²	45	42.7 Å²	42.7	17%	0.17	21%	0.205	C	C	.	.	H	α-helix	trans	-62.2	-44.6	173.5	-76.6	173.7	173.6	164.7	-2.7	111.2	E286 L297 Y298 S304	E286-R301 IonicContact OE1-CZ 2.88Å; E286-R301 VanDerWaalsContact OE1-CZ 3.25Å; E286-R301 IonicContact OE1-NH1 3.83Å; E286-R301 PolarHBondContact OE1-NH1 3.31Å; E286-R301 IonicContact OE1-NH2 2.89Å; E286-R301 PolarHBondContact OE1-NH2 2.73Å; E286-R301 IonicContact OE2-CZ 3.49Å; E286-R301 IonicContact OE2-NH1 2.61Å; E286-R301 PolarHBondContact OE2-NH1 3.22Å; E286-R301 IonicContact OE2-NH2 2.7Å; L297-R301 WeakPolarHBondContact O-CG 3.18Å; L297-R301 PolarHBondContact O-N 3.44Å; Y298-R301 WeakPolarHBondContact O-CB 3.31Å; Y298-R301 PolarHBondContact O-N 2.87Å; R301-S304 PolarHBondContact O-N 3.23Å; R301-S304 PolarHBondContact O-OG 3.16Å
302	Y	96.7	Very high	97.1	Very high	20 Å²	20	43.7 Å²	43.7	8%	0.078	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-53.7	174.8	179.6	-113.2	0	0	0	111.8	Y298 W299 S304 M305 D306 V311 V315 P336 W338	Y298-Y302 PolarHBondContact O-N 2.69Å; W299-Y302 HydrophobicContact CE3-CD1 4.33Å; W299-Y302 HydrophobicContact CH2-CD1 4.36Å; W299-Y302 HydrophobicContact CH2-CE1 4.42Å; W299-Y302 HydrophobicContact CZ3-CD1 4.07Å; W299-Y302 HydrophobicContact CZ3-CE1 4.39Å; W299-Y302 PolarHBondContact O-N 2.89Å; Y302-S304 PolarHBondContact O-N 2.96Å; Y302-M305 PolarHBondContact O-N 2.78Å; Y302-D306 HydrophobicContact CD2-CB 3.97Å; Y302-D306 HydrophobicContact CE1-CB 4.17Å; Y302-D306 HydrophobicContact CE2-CB 3.51Å; Y302-D306 WeakPolarHBondContact CE2-OD2 3.36Å; Y302-D306 HydrophobicContact CG-CB 4.5Å; Y302-D306 PolarHBondContact O-N 3.19Å; Y302-V311 HydrophobicContact CE1-CG1 3.82Å; Y302-V315 HydrophobicContact CE1-CG1 3.77Å; Y302-P336 HydrophobicContact CD1-CB 4.23Å; Y302-P336 HydrophobicContact CD2-CB 4.07Å; Y302-P336 HydrophobicContact CD2-CG 3.71Å; Y302-P336 HydrophobicContact CE1-CB 4.13Å; Y302-P336 HydrophobicContact CE2-CB 3.94Å; Y302-P336 HydrophobicContact CE2-CG 3.76Å; Y302-P336 HydrophobicContact CG-CB 4.2Å; Y302-P336 HydrophobicContact CG-CG 4.2Å; Y302-W338 VanDerWaalsContact OH-CZ2 3.24Å; Y302-W338 WeakPolarHBondContact OH-CZ2 3.38Å; Y302-W338 PolarHBondContact OH-NE1 2.91Å
303	L	97	Very high	97.2	Very high	45 Å²	45	40.5 Å²	40.5	24%	0.236	19%	0.193	C	C	.	.	H	α-helix	trans	-64.8	-10.8	179.2	-67.1	-176	0	0	0	115	W299 M305 D306 N307 V311	W299-L303 HydrophobicContact CZ2-CD2 4.38Å; W299-L303 WeakPolarHBondContact O-CG 3.35Å; W299-L303 PolarHBondContact O-N 2.81Å; L303-M305 VanDerWaalsContact C-N 3.31Å; L303-D306 WeakPolarHBondContact CD2-O 3.48Å; L303-N307 HydrophobicContact CD2-CB 4.36Å; L303-V311 HydrophobicContact CD2-CG1 3.97Å
304	S	96.2	Very high	97.3	Very high	50 Å²	50	35.5 Å²	35.5	35%	0.35	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-10.9	170.5	77.8	0	0	0	0	113.8	P276 R300 R301 Y302	P276-S304 WeakPolarHBondContact CD-O 3.35Å; P276-S304 WeakPolarHBondContact CG-O 3.17Å; R300-S304 PolarHBondContact O-N 3.07Å; R300-S304 VanDerWaalsContact O-N 3.09Å; R301-S304 PolarHBondContact O-N 3.23Å; R301-S304 PolarHBondContact O-OG 3.16Å; Y302-S304 PolarHBondContact O-N 2.96Å
305	M	95.3	Very high	97.4	Very high	38 Å²	38	35.4 Å²	35.4	19%	0.187	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-36.6	175.5	-59.1	-177.9	-59.5	0	0	111.5	N270 R275 P276 P278 Y302 L303	N270-M305 PolarHBondContact ND2-O 3.34Å; R275-M305 HydrophobicContact CG-CB 4.23Å; R275-M305 WeakPolarHBondContact CG-O 3.35Å; R275-M305 PolarHBondContact NE-O 3.28Å; P276-M305 HydrophobicContact CG-CG 4Å; P278-M305 HydrophobicContact CB-SD 4.19Å; P278-M305 HydrophobicContact CG-SD 3.99Å; Y302-M305 PolarHBondContact O-N 2.78Å; L303-M305 VanDerWaalsContact C-N 3.31Å
306	D	96.6	Very high	97.5	Very high	22 Å²	22	35.3 Å²	35.3	12%	0.118	17%	0.169	C	C	.	.			trans	-135	93.7	-162.9	-59.4	-47.2	0	0	0	110.9	H266 R275 Y302 L303	H266-D306 IonicContact NE2-OD1 3.67Å; H266-D306 PolarHBondContact NE2-OD1 3.38Å; R275-D306 IonicContact CZ-OD1 2.99Å; R275-D306 IonicContact NE-OD1 2.72Å; R275-D306 PolarHBondContact NE-OD1 2.88Å; R275-D306 IonicContact NH2-OD1 3.67Å; R275-D306 PolarHBondContact NH2-OD1 3.43Å; Y302-D306 HydrophobicContact CD2-CB 3.97Å; Y302-D306 HydrophobicContact CE1-CB 4.17Å; Y302-D306 HydrophobicContact CE2-CB 3.51Å; Y302-D306 WeakPolarHBondContact CE2-OD2 3.36Å; Y302-D306 HydrophobicContact CG-CB 4.5Å; Y302-D306 PolarHBondContact O-N 3.19Å; L303-D306 WeakPolarHBondContact CD2-O 3.48Å
307	N	97.7	Very high	97.5	Very high	46 Å²	46	31.6 Å²	31.6	25%	0.246	15%	0.148	C	C	.	.			trans	-145.5	106.6	-172.9	-175	-17.4	0	0	0	110.7	N270 R271 V272 L303	N270-N307 PolarHBondContact OD1-N 3.5Å; N270-N307 VanDerWaalsContact OD1-N 3.13Å; N270-N307 PolarHBondContact OD1-O 2.85Å; R271-N307 VanDerWaalsContact CB-O 3.26Å; R271-N307 WeakPolarHBondContact CB-O 3.18Å; R271-N307 WeakPolarHBondContact CD-OD1 3.39Å; R271-N307 VanDerWaalsContact CG-O 3.29Å; R271-N307 WeakPolarHBondContact CG-O 3.38Å; R271-N307 PolarHBondContact N-O 3.24Å; R271-N307 PolarHBondContact NH1-OD1 2.87Å; V272-N307 HydrophobicContact CG2-CB 4.16Å; L303-N307 HydrophobicContact CD2-CB 4.36Å
308	S	98.3	Very high	97.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-155.8	170.4	-179.5	70	0	0	0	0	111	H266 V269 R271 I310 V311 D312	H266-S308 PolarHBondContact ND1-OG 2.96Å; V269-S308 WeakPolarHBondContact O-CB 3.23Å; R271-S308 VanDerWaalsContact CZ-C 3.47Å; S308-I310 PolarHBondContact O-N 3.14Å; S308-I310 PolarHBondContact OG-N 3.46Å; S308-V311 WeakPolarHBondContact O-CA 3.48Å; S308-V311 WeakPolarHBondContact O-CB 3.13Å; S308-V311 PolarHBondContact O-N 3.29Å; S308-V311 PolarHBondContact OG-N 3.15Å; S308-D312 PolarHBondContact O-N 2.95Å
309	E	98.2	Very high	97.6	Very high	36 Å²	36	30.2 Å²	30.2	17%	0.168	14%	0.143	C	C	.	.	H	α-helix	trans	-55	-40.6	174.2	-156.1	85.3	165.4	0	0	111.3	Y189 R194 R271 V311 D312 L313	Y189-E309 HydrophobicContact CD1-CB 4.21Å; Y189-E309 HydrophobicContact CD1-CG 4.21Å; Y189-E309 HydrophobicContact CD2-CB 4.21Å; Y189-E309 HydrophobicContact CD2-CG 3.74Å; Y189-E309 HydrophobicContact CE1-CB 3.76Å; Y189-E309 HydrophobicContact CE1-CG 4.23Å; Y189-E309 HydrophobicContact CE2-CB 3.78Å; Y189-E309 HydrophobicContact CE2-CG 3.77Å; Y189-E309 HydrophobicContact CG-CB 4.4Å; Y189-E309 HydrophobicContact CG-CG 3.95Å; R194-E309 IonicContact CZ-OE1 3.28Å; R194-E309 IonicContact NH1-OE1 2.98Å; R194-E309 PolarHBondContact NH1-OE1 2.83Å; R271-E309 VanDerWaalsContact NH2-N 3.2Å; R271-E309 IonicContact NH2-OE2 3.87Å; R271-E309 PolarHBondContact NH2-OE2 3.23Å; E309-V311 VanDerWaalsContact C-N 3.27Å; E309-V311 PolarHBondContact O-N 3.35Å; E309-D312 PolarHBondContact O-N 2.66Å; E309-D312 VanDerWaalsContact O-N 3.16Å; E309-L313 WeakPolarHBondContact O-CG 3.48Å; E309-L313 PolarHBondContact O-N 2.91Å
310	I	98.6	Very high	97.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.1	-34.3	176.1	-32.9	-59.3	0	0	0	112.1	L186 F210 L262 L265 H266 V269 S308 F314 W338	L186-I310 HydrophobicContact CD1-CD1 3.5Å; L186-I310 VanDerWaalsContact CD1-CD1 3.5Å; F210-I310 HydrophobicContact CE2-CD1 3.93Å; F210-I310 HydrophobicContact CE2-CG1 4.42Å; F210-I310 HydrophobicContact CZ-CD1 4.13Å; L262-I310 HydrophobicContact CD2-CG2 3.89Å; L265-I310 HydrophobicContact CB-CD1 4.43Å; L265-I310 HydrophobicContact CB-CG1 4.32Å; H266-I310 HydrophobicContact CB-CB 4.37Å; V269-I310 HydrophobicContact CG2-CD1 4.5Å; V269-I310 HydrophobicContact CG2-CG1 4.04Å; S308-I310 PolarHBondContact O-N 3.14Å; S308-I310 PolarHBondContact OG-N 3.46Å; I310-F314 HydrophobicContact CG2-CD2 3.78Å; I310-F314 HydrophobicContact CG2-CE2 4.2Å; I310-F314 WeakPolarHBondContact O-CB 3.37Å; I310-F314 WeakPolarHBondContact O-CD2 3.33Å; I310-F314 PolarHBondContact O-N 3.26Å; I310-W338 HydrophobicContact CB-CZ3 4.35Å; I310-W338 HydrophobicContact CG2-CZ3 3.83Å
311	V	98.5	Very high	97.6	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-70.2	-44.3	174.3	170.9	0	0	0	0	110.9	H266 Y302 L303 S308 E309 L313 V315 W338	H266-V311 WeakPolarHBondContact ND1-CG2 3.23Å; Y302-V311 HydrophobicContact CE1-CG1 3.82Å; L303-V311 HydrophobicContact CD2-CG1 3.97Å; S308-V311 WeakPolarHBondContact O-CA 3.48Å; S308-V311 WeakPolarHBondContact O-CB 3.13Å; S308-V311 PolarHBondContact O-N 3.29Å; S308-V311 PolarHBondContact OG-N 3.15Å; E309-V311 VanDerWaalsContact C-N 3.27Å; E309-V311 PolarHBondContact O-N 3.35Å; V311-L313 VanDerWaalsContact C-N 3.26Å; V311-L313 PolarHBondContact O-N 2.77Å; V311-V315 HydrophobicContact CB-CG2 4.26Å; V311-V315 HydrophobicContact CG1-CB 4.08Å; V311-V315 HydrophobicContact CG1-CG2 4.09Å; V311-V315 HydrophobicContact CG2-CG2 4.31Å; V311-V315 WeakPolarHBondContact O-CB 3.13Å; V311-V315 PolarHBondContact O-N 3.45Å; V311-W338 HydrophobicContact CG2-CH2 3.68Å; V311-W338 HydrophobicContact CG2-CZ2 3.88Å
312	D	98.1	Very high	97.5	Very high	75 Å²	75	21.9 Å²	21.9	40%	0.401	12%	0.118	S	C	.	.	H	α-helix	trans	-61.1	-37.7	179.3	-58.2	-39.8	0	0	0	111.6	R271 S308 E309	R271-D312 IonicContact CZ-OD2 2.72Å; R271-D312 IonicContact NH1-OD1 2.74Å; R271-D312 IonicContact NH1-OD2 2.66Å; R271-D312 PolarHBondContact NH1-OD2 2.85Å; R271-D312 IonicContact NH2-OD2 3.03Å; R271-D312 PolarHBondContact NH2-OD2 3.41Å; S308-D312 PolarHBondContact O-N 2.95Å; E309-D312 PolarHBondContact O-N 2.66Å; E309-D312 VanDerWaalsContact O-N 3.16Å
313	L	98.5	Very high	97.5	Very high	8 Å²	8	22.8 Å²	22.8	4%	0.042	12%	0.123	C	C	.	.	H	α-helix	trans	-74.6	-58.2	177.3	-67	178.6	0	0	0	113	P185 L186 E309 V311 Q393 I394	P185-L313 HydrophobicContact CB-CD1 4.37Å; P185-L313 HydrophobicContact CB-CD2 3.83Å; P185-L313 HydrophobicContact CG-CD1 4.27Å; P185-L313 HydrophobicContact CG-CD2 3.68Å; L186-L313 HydrophobicContact CB-CD1 4.01Å; E309-L313 WeakPolarHBondContact O-CG 3.48Å; E309-L313 PolarHBondContact O-N 2.91Å; V311-L313 VanDerWaalsContact C-N 3.26Å; V311-L313 PolarHBondContact O-N 2.77Å; L313-Q393 PolarHBondContact O-N 3.28Å; L313-I394 HydrophobicContact CB-CG1 4.25Å; L313-I394 PolarHBondContact O-N 3.33Å
314	F	98.7	Very high	97.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-96.4	-15.8	-163.9	-70.4	-92	0	0	0	115.2	L180 T183 L186 L262 I310 W338 P392 I394 V396	L180-F314 HydrophobicContact CD2-CE1 4.18Å; L180-F314 HydrophobicContact CD2-CZ 3.79Å; T183-F314 HydrophobicContact CG2-CZ 3.98Å; L186-F314 HydrophobicContact CD2-CE2 4.13Å; L186-F314 HydrophobicContact CD2-CZ 4.24Å; L262-F314 HydrophobicContact CD1-CD1 3.97Å; L262-F314 HydrophobicContact CD1-CE1 4.3Å; L262-F314 HydrophobicContact CD1-CG 4.27Å; L262-F314 HydrophobicContact CD2-CD1 4.19Å; L262-F314 HydrophobicContact CD2-CD2 3.93Å; L262-F314 HydrophobicContact CD2-CE1 4.05Å; L262-F314 HydrophobicContact CD2-CE2 3.8Å; L262-F314 HydrophobicContact CD2-CG 4.13Å; L262-F314 HydrophobicContact CD2-CZ 3.85Å; I310-F314 HydrophobicContact CG2-CD2 3.78Å; I310-F314 HydrophobicContact CG2-CE2 4.2Å; I310-F314 WeakPolarHBondContact O-CB 3.37Å; I310-F314 WeakPolarHBondContact O-CD2 3.33Å; I310-F314 PolarHBondContact O-N 3.26Å; F314-W338 HydrophobicContact CB-CE3 4.21Å; F314-P392 VanDerWaalsContact C-CB 3.46Å; F314-P392 VanDerWaalsContact O-CB 3.29Å; F314-P392 WeakPolarHBondContact O-CB 3.29Å; F314-I394 HydrophobicContact CD1-CB 4Å; F314-I394 HydrophobicContact CD1-CG2 3.78Å; F314-I394 HydrophobicContact CE1-CB 4.02Å; F314-I394 HydrophobicContact CE1-CG2 3.43Å; F314-I394 VanDerWaalsContact CE1-CG2 3.43Å; F314-I394 HydrophobicContact CG-CB 4.42Å; F314-I394 HydrophobicContact CZ-CB 4.43Å; F314-I394 HydrophobicContact CZ-CG2 4.04Å; F314-V396 HydrophobicContact CD1-CG2 3.98Å; F314-V396 HydrophobicContact CE1-CG2 4.13Å
315	V	98.5	Very high	97.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.124	C	C	.	.			trans	-97.5	118.4	-166.8	-173.8	0	0	0	0	113.3	W299 Y302 V311 P336 F337 W338 K390	W299-V315 HydrophobicContact CH2-CB 4.22Å; W299-V315 HydrophobicContact CH2-CG1 3.8Å; W299-V315 HydrophobicContact CZ3-CG1 3.96Å; Y302-V315 HydrophobicContact CE1-CG1 3.77Å; V311-V315 HydrophobicContact CB-CG2 4.26Å; V311-V315 HydrophobicContact CG1-CB 4.08Å; V311-V315 HydrophobicContact CG1-CG2 4.09Å; V311-V315 HydrophobicContact CG2-CG2 4.31Å; V311-V315 WeakPolarHBondContact O-CB 3.13Å; V311-V315 PolarHBondContact O-N 3.45Å; V315-P336 HydrophobicContact CG1-CB 3.95Å; V315-F337 CarbonylContact C-O 3.59Å; V315-F337 VanDerWaalsContact CA-O 3.31Å; V315-F337 WeakPolarHBondContact CA-O 3.38Å; V315-W338 HydrophobicContact CG2-CD2 3.5Å; V315-W338 HydrophobicContact CG2-CE3 3.86Å; V315-W338 HydrophobicContact CG2-CG 3.97Å; V315-W338 HydrophobicContact CG2-CH2 3.99Å; V315-W338 HydrophobicContact CG2-CZ2 3.67Å; V315-W338 HydrophobicContact CG2-CZ3 4.1Å; V315-K390 PolarHBondContact O-NZ 2.84Å
316	G	98.1	Very high	97.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-176.6	165.3	0	0	0	0	0	112.3	P336 F337 K390	G316-P336 WeakPolarHBondContact O-CA 3.11Å; G316-F337 VanDerWaalsContact C-CE1 3.44Å; G316-F337 VanDerWaalsContact CA-CE1 3.5Å; G316-F337 PolarHBondContact N-O 3.23Å; G316-F337 PolarHBondContact O-N 3.04Å; G316-K390 CarbonylContact C-O 3.45Å; G316-K390 WeakPolarHBondContact CA-O 3.36Å
317	Q	98.3	Very high	97.5	Very high	8 Å²	8	25 Å²	25	4%	0.037	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126	175.2	-166.2	180	42.4	0	0	109.2	A295 W299 F334 F337 Q389 K390	A295-Q317 PolarHBondContact O-NE2 2.99Å; A295-Q317 VanDerWaalsContact O-NE2 3.16Å; W299-Q317 HydrophobicContact CE3-CB 4.11Å; W299-Q317 HydrophobicContact CE3-CG 4.33Å; W299-Q317 HydrophobicContact CZ3-CB 4.19Å; Q317-F334 HydrophobicContact CG-CB 4.17Å; Q317-F337 VanDerWaalsContact N-CE1 3.31Å; Q317-Q389 HydrophobicContact CB-CB 4.4Å; Q317-Q389 HydrophobicContact CG-CB 4.45Å; Q317-Q389 PolarHBondContact O-N 3.44Å; Q317-Q389 VanDerWaalsContact OE1-CG 3.3Å; Q317-K390 HydrophobicContact CB-CB 3.82Å; Q317-K390 PolarHBondContact N-O 3.16Å; Q317-K390 PolarHBondContact O-N 3.19Å; Q317-K390 VanDerWaalsContact O-N 3.07Å
318	L	98.2	Very high	97.4	Very high	17 Å²	17	27.1 Å²	27.1	9%	0.089	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	150.2	168.6	-70.8	171.6	0	0	0	109.8	F334 D335 F337 L340 F359 F386 S387 I388	L318-F334 CarbonylContact O-C 3.58Å; L318-F334 VanDerWaalsContact O-CA 3.29Å; L318-F334 WeakPolarHBondContact O-CA 2.96Å; L318-D335 PolarHBondContact N-O 3.29Å; L318-D335 PolarHBondContact O-N 2.82Å; L318-F337 HydrophobicContact CD1-CD1 4.44Å; L318-F337 HydrophobicContact CD2-CD1 4.26Å; L318-F337 HydrophobicContact CD2-CE1 4.23Å; L318-F337 HydrophobicContact CG-CD1 3.68Å; L318-F337 HydrophobicContact CG-CE1 4.13Å; L318-F337 HydrophobicContact CG-CG 4.36Å; L318-L340 HydrophobicContact CD1-CD2 4.13Å; L318-L340 HydrophobicContact CD2-CD2 4.15Å; L318-L340 HydrophobicContact CG-CD2 4.41Å; L318-F359 HydrophobicContact CD1-CE1 4.22Å; L318-F359 HydrophobicContact CD1-CZ 3.87Å; L318-F359 HydrophobicContact CD2-CE1 4Å; L318-F359 HydrophobicContact CD2-CZ 4.48Å; L318-F386 HydrophobicContact CD1-CD1 4.41Å; L318-S387 CarbonylContact C-O 3.53Å; L318-S387 WeakPolarHBondContact CA-O 3.38Å; L318-I388 HydrophobicContact CD2-CG1 3.97Å
319	M	97.8	Very high	97.2	Very high	20 Å²	20	28.2 Å²	28.2	10%	0.099	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.7	159	-171.5	173.1	91	0	0	108.4	D291 T321 T332 T333 F334 F386 S387 Q389 T429	D291-M319 HydrophobicContact CB-SD 4.49Å; M319-T321 WeakPolarHBondContact CE-OG1 3.45Å; M319-T332 HydrophobicContact CE-CG2 4.27Å; M319-T332 HydrophobicContact CG-CG2 4.26Å; M319-T332 HydrophobicContact SD-CG2 4.08Å; M319-T333 WeakPolarHBondContact CA-O 3.43Å; M319-F334 HydrophobicContact CB-CD1 3.95Å; M319-F334 HydrophobicContact CB-CE1 3.59Å; M319-F334 HydrophobicContact CB-CZ 4.34Å; M319-F334 HydrophobicContact CG-CD1 4.04Å; M319-F334 HydrophobicContact CG-CE1 3.41Å; M319-F334 VanDerWaalsContact CG-CE1 3.41Å; M319-F334 HydrophobicContact CG-CE2 4.44Å; M319-F334 HydrophobicContact CG-CZ 3.64Å; M319-F334 HydrophobicContact SD-CE1 3.59Å; M319-F334 VanDerWaalsContact SD-CE1 3.59Å; M319-F334 HydrophobicContact SD-CZ 3.49Å; M319-F334 WeakPolarHBondContact SD-CZ 3.5Å; M319-F386 WeakPolarHBondContact O-CA 3.24Å; M319-S387 PolarHBondContact N-O 3.26Å; M319-S387 PolarHBondContact O-N 2.81Å; M319-Q389 HydrophobicContact CB-CB 4.48Å; M319-T429 HydrophobicContact CB-CG2 3.57Å; M319-T429 HydrophobicContact CE-CG2 3.88Å; M319-T429 HydrophobicContact CG-CG2 4.23Å; M319-T429 HydrophobicContact SD-CG2 3.63Å
320	S	96.4	Very high	97	Very high	10 Å²	10	31.7 Å²	31.7	7%	0.07	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	113.9	171	-61.1	0	0	0	0	108.4	T332 T333 D335 F386	S320-T332 CarbonylContact O-C 3.45Å; S320-T332 WeakPolarHBondContact O-CA 3.47Å; S320-T333 WeakPolarHBondContact CB-OG1 3.41Å; S320-T333 PolarHBondContact N-O 3.33Å; S320-T333 PolarHBondContact O-N 3.33Å; S320-D335 WeakPolarHBondContact CB-OD2 3.46Å; S320-D335 PolarHBondContact OG-OD2 2.75Å; S320-F386 WeakPolarHBondContact OG-CE1 3.47Å
321	T	96.1	Very high	96.7	Very high	16 Å²	16	32.2 Å²	32.2	10%	0.098	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.6	177.2	-54.3	0	0	0	0	110.4	M319 K330 T332 K384 S385	M319-T321 WeakPolarHBondContact CE-OG1 3.45Å; T321-K330 HydrophobicContact CG2-CB 4.4Å; T321-K330 HydrophobicContact CG2-CG 4.29Å; T321-T332 HydrophobicContact CG2-CG2 4.47Å; T321-K384 WeakPolarHBondContact O-CA 3.35Å; T321-S385 PolarHBondContact N-O 3.09Å; T321-S385 PolarHBondContact O-N 3.26Å
322	L	95.4	Very high	96.6	Very high	47 Å²	47	32.7 Å²	32.7	25%	0.246	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	110	172.9	-169.9	70.5	0	0	0	110.9	K330 S331 L365 P371 C382 K384	L322-K330 WeakPolarHBondContact O-CA 3.49Å; L322-S331 PolarHBondContact N-O 3.3Å; L322-S331 PolarHBondContact O-N 3.18Å; L322-L365 HydrophobicContact CD1-CD1 3.97Å; L322-P371 HydrophobicContact CD1-CG 4.12Å; L322-P371 HydrophobicContact CD2-CB 4.12Å; L322-P371 HydrophobicContact CD2-CG 3.88Å; L322-P371 HydrophobicContact CG-CG 4.46Å; L322-C382 HydrophobicContact CD1-CB 3.61Å; L322-C382 HydrophobicContact CG-CB 4.04Å; L322-K384 HydrophobicContact CD1-CB 4.01Å; L322-K384 HydrophobicContact CD1-CG 4.49Å
323	E	97	Very high	96.4	Very high	40 Å²	40	30.2 Å²	30.2	19%	0.187	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118.4	-176	-177.1	170.2	-149.5	0	0	110.5	F329 K330 K362 C382 A383	E323-F329 CarbonylContact C-O 3.59Å; E323-F329 WeakPolarHBondContact CA-O 3.47Å; E323-K330 HydrophobicContact CB-CG 4.02Å; E323-K330 HydrophobicContact CG-CG 4.03Å; E323-K330 WeakPolarHBondContact OE1-CE 3.13Å; E323-K330 IonicContact OE1-NZ 3.16Å; E323-K330 PolarHBondContact OE1-NZ 3.03Å; E323-K362 IonicContact OE2-NZ 2.72Å; E323-K362 PolarHBondContact OE2-NZ 3.08Å; E323-C382 CarbonylContact O-C 3.49Å; E323-C382 WeakPolarHBondContact O-CA 3.35Å; E323-C382 WeakPolarHBondContact O-CB 3.28Å; E323-A383 HydrophobicContact CB-CB 4.45Å; E323-A383 PolarHBondContact N-O 3.46Å; E323-A383 PolarHBondContact O-N 3.08Å
324	C	96.9	Very high	96.4	Very high	3 Å²	3	30 Å²	30	2%	0.02	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	124.3	178.8	-175.2	0	0	0	0	111.7	E326 S328 F329 C373	C324-E326 VanDerWaalsContact C-N 3.3Å; C324-E326 PolarHBondContact O-N 3.2Å; C324-S328 WeakPolarHBondContact O-CA 3.28Å; C324-S328 PolarHBondContact O-N 3.23Å; C324-F329 PolarHBondContact N-O 2.79Å; C324-C373 HydrophobicContact CB-CB 4.38Å; C324-C373 VanDerWaalsContact SG-SG 3.68Å
325	G	96.2	Very high	96.2	Very high	58 Å²	58	32.5 Å²	32.5	60%	0.598	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.1	-177.1	0	0	0	0	0	114.6	R381	G325-R381 PolarHBondContact N-O 2.73Å
326	E	96.2	Very high	96.1	Very high	88 Å²	88	35.2 Å²	35.2	41%	0.411	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-12.1	-175.5	-54.5	97.5	127.6	0	0	114.8	C324 R380 R381	C324-E326 VanDerWaalsContact C-N 3.3Å; C324-E326 PolarHBondContact O-N 3.2Å; E326-R380 WeakPolarHBondContact OE1-CD 3.5Å; E326-R380 IonicContact OE1-CZ 3.99Å; E326-R380 IonicContact OE1-NE 3.94Å; E326-R380 IonicContact OE1-NH1 3.18Å; E326-R380 PolarHBondContact OE1-NH1 2.68Å; E326-R380 WeakPolarHBondContact OE2-CB 3.29Å; E326-R380 WeakPolarHBondContact OE2-CD 3.49Å; E326-R381 PolarHBondContact OE1-N 2.76Å; E326-R381 PolarHBondContact OE2-N 2.92Å
327	C	96	Very high	96.1	Very high	51 Å²	51	35.8 Å²	35.8	35%	0.345	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.5	8.8	176.4	83.1	0	0	0	0	114.5	F329	C327-F329 PolarHBondContact O-N 3.47Å; C327-F329 VanDerWaalsContact SG-CB 3.57Å
328	S	95.7	Very high	96.1	Very high	91 Å²	91	37.6 Å²	37.6	64%	0.636	22%	0.217	S	C	*	.			trans	53.1	13.1	179.2	-52.8	0	0	0	0	116.2	C324	C324-S328 WeakPolarHBondContact O-CA 3.28Å; C324-S328 PolarHBondContact O-N 3.23Å
329	F	94	Very high	96.1	Very high	23 Å²	23	37.6 Å²	37.6	10%	0.101	22%	0.217	C	C	.	.			trans	-76.1	136.9	-178.2	178.4	-113	0	0	0	111	D287 E323 C324 C327 S374 R375	D287-F329 HydrophobicContact CB-CZ 3.94Å; D287-F329 WeakPolarHBondContact OD2-CE1 3.49Å; D287-F329 WeakPolarHBondContact OD2-CZ 3.39Å; E323-F329 CarbonylContact C-O 3.59Å; E323-F329 WeakPolarHBondContact CA-O 3.47Å; C324-F329 PolarHBondContact N-O 2.79Å; C327-F329 PolarHBondContact O-N 3.47Å; C327-F329 VanDerWaalsContact SG-CB 3.57Å; F329-S374 VanDerWaalsContact CE1-OG 3.28Å; F329-S374 WeakPolarHBondContact CE1-OG 3.28Å; F329-R375 HydrophobicContact CB-CG 4.33Å; F329-R375 HydrophobicContact CD1-CB 4.47Å; F329-R375 HydrophobicContact CD1-CG 3.8Å; F329-R375 HydrophobicContact CD2-CG 4.34Å; F329-R375 HydrophobicContact CE1-CG 4.26Å; F329-R375 HydrophobicContact CG-CG 3.85Å
330	K	93.8	Very high	96.1	Very high	109 Å²	109	36.8 Å²	36.8	47%	0.474	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.5	177.9	-72.2	168.4	178.9	162.7	0	109.4	T321 L322 E323	T321-K330 HydrophobicContact CG2-CB 4.4Å; T321-K330 HydrophobicContact CG2-CG 4.29Å; L322-K330 WeakPolarHBondContact O-CA 3.49Å; E323-K330 HydrophobicContact CB-CG 4.02Å; E323-K330 HydrophobicContact CG-CG 4.03Å; E323-K330 WeakPolarHBondContact OE1-CE 3.13Å; E323-K330 IonicContact OE1-NZ 3.16Å; E323-K330 PolarHBondContact OE1-NZ 3.03Å
331	S	93.3	Very high	96.2	Very high	11 Å²	11	37.3 Å²	37.3	8%	0.077	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	135.8	163.6	-174.1	0	0	0	0	108.5	D287 L322	D287-S331 PolarHBondContact OD1-OG 3.09Å; D287-S331 WeakPolarHBondContact OD2-CB 3.43Å; D287-S331 PolarHBondContact OD2-OG 3.34Å; L322-S331 PolarHBondContact N-O 3.3Å; L322-S331 PolarHBondContact O-N 3.18Å
332	T	95.1	Very high	96.2	Very high	11 Å²	11	36.5 Å²	36.5	7%	0.067	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133	179.5	49.7	0	0	0	0	110.5	D291 K294 M319 S320 T321	D291-T332 VanDerWaalsContact OD1-CB 3.32Å; D291-T332 WeakPolarHBondContact OD1-CB 3.35Å; D291-T332 WeakPolarHBondContact OD1-CG2 3.45Å; D291-T332 PolarHBondContact OD1-OG1 2.96Å; K294-T332 WeakPolarHBondContact CE-O 3.33Å; K294-T332 PolarHBondContact NZ-O 2.76Å; K294-T332 PolarHBondContact NZ-OG1 3.08Å; K294-T332 VanDerWaalsContact NZ-OG1 3.16Å; M319-T332 HydrophobicContact CE-CG2 4.27Å; M319-T332 HydrophobicContact CG-CG2 4.26Å; M319-T332 HydrophobicContact SD-CG2 4.08Å; S320-T332 CarbonylContact O-C 3.45Å; S320-T332 WeakPolarHBondContact O-CA 3.47Å; T321-T332 HydrophobicContact CG2-CG2 4.47Å
333	T	94.9	Very high	96.3	Very high	23 Å²	23	35.6 Å²	35.6	14%	0.141	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	152.7	166.8	65.1	0	0	0	0	110.4	M27 Y283 M319 S320 D335	M27-T333 HydrophobicContact CE-CG2 3.61Å; M27-T333 HydrophobicContact SD-CG2 3.93Å; Y283-T333 HydrophobicContact CE1-CG2 4.49Å; M319-T333 WeakPolarHBondContact CA-O 3.43Å; S320-T333 WeakPolarHBondContact CB-OG1 3.41Å; S320-T333 PolarHBondContact N-O 3.33Å; S320-T333 PolarHBondContact O-N 3.33Å; T333-D335 PolarHBondContact OG1-OD2 3.41Å
334	F	96.9	Very high	96.2	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.013	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	102.7	-172.6	-71.1	-83.1	0	0	0	111.1	D291 K294 A295 Y298 Q317 L318 M319 Q389	D291-F334 HydrophobicContact CB-CZ 3.96Å; D291-F334 WeakPolarHBondContact O-CZ 3.49Å; K294-F334 HydrophobicContact CB-CD2 4.23Å; K294-F334 HydrophobicContact CB-CE2 3.84Å; K294-F334 HydrophobicContact CD-CD2 4.35Å; K294-F334 HydrophobicContact CD-CE2 3.98Å; K294-F334 HydrophobicContact CG-CD2 4.04Å; K294-F334 HydrophobicContact CG-CE2 3.95Å; A295-F334 HydrophobicContact CB-CD1 3.81Å; A295-F334 HydrophobicContact CB-CD2 4.43Å; A295-F334 HydrophobicContact CB-CE1 3.75Å; A295-F334 HydrophobicContact CB-CE2 4.39Å; A295-F334 HydrophobicContact CB-CG 4.14Å; A295-F334 HydrophobicContact CB-CZ 4.05Å; Y298-F334 HydrophobicContact CD1-CB 4.09Å; Y298-F334 WeakPolarHBondContact CD1-O 3.24Å; Y298-F334 HydrophobicContact CG-CB 3.95Å; Q317-F334 HydrophobicContact CG-CB 4.17Å; L318-F334 CarbonylContact O-C 3.58Å; L318-F334 VanDerWaalsContact O-CA 3.29Å; L318-F334 WeakPolarHBondContact O-CA 2.96Å; M319-F334 HydrophobicContact CB-CD1 3.95Å; M319-F334 HydrophobicContact CB-CE1 3.59Å; M319-F334 HydrophobicContact CB-CZ 4.34Å; M319-F334 HydrophobicContact CG-CD1 4.04Å; M319-F334 HydrophobicContact CG-CE1 3.41Å; M319-F334 VanDerWaalsContact CG-CE1 3.41Å; M319-F334 HydrophobicContact CG-CE2 4.44Å; M319-F334 HydrophobicContact CG-CZ 3.64Å; M319-F334 HydrophobicContact SD-CE1 3.59Å; M319-F334 VanDerWaalsContact SD-CE1 3.59Å; M319-F334 HydrophobicContact SD-CZ 3.49Å; M319-F334 WeakPolarHBondContact SD-CZ 3.5Å; F334-Q389 HydrophobicContact CD1-CB 3.92Å; F334-Q389 HydrophobicContact CD1-CG 3.72Å; F334-Q389 HydrophobicContact CE1-CB 3.94Å; F334-Q389 HydrophobicContact CE1-CG 3.67Å
335	D	95.1	Very high	96	Very high	54 Å²	54	35.2 Å²	35.2	29%	0.289	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127	-163.4	-58.5	-68.7	0	0	0	110.3	L318 S320 T333	L318-D335 PolarHBondContact N-O 3.29Å; L318-D335 PolarHBondContact O-N 2.82Å; S320-D335 WeakPolarHBondContact CB-OD2 3.46Å; S320-D335 PolarHBondContact OG-OD2 2.75Å; T333-D335 PolarHBondContact OG1-OD2 3.41Å
336	P	97.6	Very high	95.7	Very high	56 Å²	56	41.6 Å²	41.6	36%	0.364	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	144	179.2	29.9	-34.9	0	0	0	111.3	Y302 V315 G316	Y302-P336 HydrophobicContact CD1-CB 4.23Å; Y302-P336 HydrophobicContact CD2-CB 4.07Å; Y302-P336 HydrophobicContact CD2-CG 3.71Å; Y302-P336 HydrophobicContact CE1-CB 4.13Å; Y302-P336 HydrophobicContact CE2-CB 3.94Å; Y302-P336 HydrophobicContact CE2-CG 3.76Å; Y302-P336 HydrophobicContact CG-CB 4.2Å; Y302-P336 HydrophobicContact CG-CG 4.2Å; V315-P336 HydrophobicContact CG1-CB 3.95Å; G316-P336 WeakPolarHBondContact O-CA 3.11Å
337	F	98	Very high	95.4	Very high	13 Å²	13	41.8 Å²	41.8	6%	0.057	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.3	175.9	74.8	-90.9	0	0	0	112.3	V315 G316 Q317 L318 L340 I388 P392 L395	V315-F337 CarbonylContact C-O 3.59Å; V315-F337 VanDerWaalsContact CA-O 3.31Å; V315-F337 WeakPolarHBondContact CA-O 3.38Å; G316-F337 VanDerWaalsContact C-CE1 3.44Å; G316-F337 VanDerWaalsContact CA-CE1 3.5Å; G316-F337 PolarHBondContact N-O 3.23Å; G316-F337 PolarHBondContact O-N 3.04Å; Q317-F337 VanDerWaalsContact N-CE1 3.31Å; L318-F337 HydrophobicContact CD1-CD1 4.44Å; L318-F337 HydrophobicContact CD2-CD1 4.26Å; L318-F337 HydrophobicContact CD2-CE1 4.23Å; L318-F337 HydrophobicContact CG-CD1 3.68Å; L318-F337 HydrophobicContact CG-CE1 4.13Å; L318-F337 HydrophobicContact CG-CG 4.36Å; F337-L340 HydrophobicContact CB-CD2 4.3Å; F337-L340 HydrophobicContact CD1-CD2 4.3Å; F337-L340 HydrophobicContact CD2-CD2 3.5Å; F337-L340 HydrophobicContact CD2-CG 3.77Å; F337-L340 HydrophobicContact CE1-CD2 4.47Å; F337-L340 HydrophobicContact CE2-CD1 4.04Å; F337-L340 HydrophobicContact CE2-CD2 3.75Å; F337-L340 HydrophobicContact CE2-CG 3.66Å; F337-L340 HydrophobicContact CG-CD2 3.79Å; F337-L340 HydrophobicContact CZ-CD1 4.3Å; F337-L340 HydrophobicContact CZ-CD2 4.22Å; F337-L340 HydrophobicContact CZ-CG 4.32Å; F337-I388 HydrophobicContact CE1-CG2 4.29Å; F337-I388 HydrophobicContact CZ-CG2 4.42Å; F337-P392 HydrophobicContact CE2-CG 4.37Å; F337-L395 HydrophobicContact CE2-CD1 3.93Å
338	W	98	Very high	94.8	Very high	46 Å²	46	44.3 Å²	44.3	17%	0.174	24%	0.237	C	C	.	.	S	Bend	trans	-103.7	-22.7	177.8	-65.1	68.9	0	0	0	112	L262 H266 Y302 I310 V311 F314 V315	L262-W338 HydrophobicContact CB-CE3 3.91Å; L262-W338 HydrophobicContact CB-CZ3 4.11Å; L262-W338 HydrophobicContact CD1-CE3 4.37Å; H266-W338 HydrophobicContact CB-CH2 3.6Å; H266-W338 HydrophobicContact CB-CZ3 4.19Å; H266-W338 AromaticContact CG-CH2 3.62Å; Y302-W338 VanDerWaalsContact OH-CZ2 3.24Å; Y302-W338 WeakPolarHBondContact OH-CZ2 3.38Å; Y302-W338 PolarHBondContact OH-NE1 2.91Å; I310-W338 HydrophobicContact CB-CZ3 4.35Å; I310-W338 HydrophobicContact CG2-CZ3 3.83Å; V311-W338 HydrophobicContact CG2-CH2 3.68Å; V311-W338 HydrophobicContact CG2-CZ2 3.88Å; F314-W338 HydrophobicContact CB-CE3 4.21Å; V315-W338 HydrophobicContact CG2-CD2 3.5Å; V315-W338 HydrophobicContact CG2-CE3 3.86Å; V315-W338 HydrophobicContact CG2-CG 3.97Å; V315-W338 HydrophobicContact CG2-CH2 3.99Å; V315-W338 HydrophobicContact CG2-CZ2 3.67Å; V315-W338 HydrophobicContact CG2-CZ3 4.1Å
339	D	98.2	Very high	94.6	Very high	16 Å²	16	46.2 Å²	46.2	9%	0.086	24%	0.24	C	C	.	.			trans	-148.8	160.6	175.4	72.8	-54.1	0	0	0	109	Q255 R259 S341 V396	Q255-D339 PolarHBondContact NE2-OD2 2.85Å; R259-D339 IonicContact CZ-OD1 2.7Å; R259-D339 VanDerWaalsContact NH1-CG 3.31Å; R259-D339 IonicContact NH1-OD1 2.68Å; R259-D339 PolarHBondContact NH1-OD1 3.32Å; R259-D339 IonicContact NH1-OD2 3.07Å; R259-D339 PolarHBondContact NH1-OD2 2.99Å; R259-D339 IonicContact NH2-OD1 2.71Å; R259-D339 PolarHBondContact NH2-OD1 2.76Å; D339-S341 PolarHBondContact OD2-OG 3.23Å; D339-V396 CarbonylContact C-O 2.95Å; D339-V396 WeakPolarHBondContact CA-O 3.45Å; D339-V396 HydrophobicContact CB-CB 3.97Å; D339-V396 HydrophobicContact CB-CG1 3.88Å
340	L	97.9	Very high	94.7	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	110.5	165.2	-60.4	177.9	0	0	0	109.2	L318 F337 L342 L356 F359 I388 L395 V396 L397 H398	L318-L340 HydrophobicContact CD1-CD2 4.13Å; L318-L340 HydrophobicContact CD2-CD2 4.15Å; L318-L340 HydrophobicContact CG-CD2 4.41Å; F337-L340 HydrophobicContact CB-CD2 4.3Å; F337-L340 HydrophobicContact CD1-CD2 4.3Å; F337-L340 HydrophobicContact CD2-CD2 3.5Å; F337-L340 HydrophobicContact CD2-CG 3.77Å; F337-L340 HydrophobicContact CE1-CD2 4.47Å; F337-L340 HydrophobicContact CE2-CD1 4.04Å; F337-L340 HydrophobicContact CE2-CD2 3.75Å; F337-L340 HydrophobicContact CE2-CG 3.66Å; F337-L340 HydrophobicContact CG-CD2 3.79Å; F337-L340 HydrophobicContact CZ-CD1 4.3Å; F337-L340 HydrophobicContact CZ-CD2 4.22Å; F337-L340 HydrophobicContact CZ-CG 4.32Å; L340-L342 HydrophobicContact CB-CD2 3.88Å; L340-L342 HydrophobicContact CB-CG 4.47Å; L340-L342 PolarHBondContact O-N 3.16Å; L340-L356 HydrophobicContact CD1-CD2 4.3Å; L340-F359 HydrophobicContact CD2-CE1 4.08Å; L340-F359 HydrophobicContact CD2-CZ 3.98Å; L340-I388 HydrophobicContact CD1-CD1 4.23Å; L340-L395 HydrophobicContact CD1-CD1 4.35Å; L340-V396 PolarHBondContact N-O 3.02Å; L340-L397 HydrophobicContact CB-CD2 3.85Å; L340-L397 HydrophobicContact CD1-CD2 4.09Å; L340-L397 HydrophobicContact CG-CD2 4.35Å; L340-H398 PolarHBondContact O-N 2.91Å
341	S	97.3	Very high	94.9	Very high	20 Å²	20	41.6 Å²	41.6	14%	0.14	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	90.6	175.5	-69.1	0	0	0	0	110.3	Q255 D339 H398 K400	Q255-S341 PolarHBondContact NE2-OG 3.41Å; D339-S341 PolarHBondContact OD2-OG 3.23Å; S341-H398 CarbonylContact C-O 3.58Å; S341-H398 WeakPolarHBondContact CA-O 3.43Å; S341-H398 WeakPolarHBondContact CB-ND1 3.06Å; S341-H398 PolarHBondContact OG-ND1 3.39Å; S341-K400 WeakPolarHBondContact O-CD 3.36Å; S341-K400 WeakPolarHBondContact O-CE 3.47Å; S341-K400 PolarHBondContact O-NZ 3.44Å
342	L	97.6	Very high	95.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	136.2	-169.7	-54.2	179	0	0	0	113	L340 I352 C355 L356 F359 L397 H398 K400	L340-L342 HydrophobicContact CB-CD2 3.88Å; L340-L342 HydrophobicContact CB-CG 4.47Å; L340-L342 PolarHBondContact O-N 3.16Å; L342-I352 HydrophobicContact CD1-CD1 3.61Å; L342-I352 HydrophobicContact CD1-CG1 4.39Å; L342-C355 HydrophobicContact CB-CB 3.99Å; L342-C355 HydrophobicContact CD1-CB 4Å; L342-L356 HydrophobicContact CD1-CD2 4.1Å; L342-L356 HydrophobicContact CD1-CG 3.9Å; L342-L356 HydrophobicContact CD2-CD2 3.69Å; L342-L356 HydrophobicContact CD2-CG 4.2Å; L342-F359 HydrophobicContact CD2-CB 3.85Å; L342-F359 HydrophobicContact CD2-CD1 4.43Å; L342-F359 HydrophobicContact CD2-CD2 4.24Å; L342-F359 HydrophobicContact CD2-CG 3.93Å; L342-L397 HydrophobicContact CD1-CB 4.26Å; L342-L397 HydrophobicContact CD1-CD1 4.41Å; L342-L397 HydrophobicContact CD1-CD2 4.3Å; L342-H398 PolarHBondContact N-O 2.91Å; L342-K400 VanDerWaalsContact O-CB 3.25Å; L342-K400 WeakPolarHBondContact O-CB 3.35Å; L342-K400 WeakPolarHBondContact O-CG 3.47Å; L342-K400 PolarHBondContact O-N 3.2Å
343	P	95.8	Very high	95.2	Very high	28 Å²	28	43.8 Å²	43.8	18%	0.182	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-75.8	139.6	170	33.1	-32.9	0	0	0	111.1	P345 L358	P343-P345 WeakPolarHBondContact O-CD 3.37Å; P343-L358 HydrophobicContact CB-CD2 4Å; P343-L358 HydrophobicContact CB-CG 4.33Å; P343-L358 HydrophobicContact CG-CB 4.12Å; P343-L358 HydrophobicContact CG-CD2 3.94Å; P343-L358 HydrophobicContact CG-CG 3.75Å
344	I	95.3	Very high	95.4	Very high	13 Å²	13	44.8 Å²	44.8	7%	0.067	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-88.7	122.2	176.8	-55	176.2	0	0	0	109.4	V350 L399 R401 M411 V413 V415	I344-V350 HydrophobicContact CG2-CG1 4.34Å; I344-L399 HydrophobicContact CD1-CB 4.26Å; I344-R401 HydrophobicContact CD1-CG 3.72Å; I344-M411 HydrophobicContact CB-CE 3.73Å; I344-M411 HydrophobicContact CB-SD 4.14Å; I344-M411 HydrophobicContact CD1-CB 4.28Å; I344-M411 HydrophobicContact CD1-SD 4.45Å; I344-M411 HydrophobicContact CG2-CE 3.7Å; I344-V413 HydrophobicContact CG2-CB 4.46Å; I344-V413 HydrophobicContact CG2-CG1 4.43Å; I344-V415 HydrophobicContact CD1-CG2 4.42Å; I344-V415 HydrophobicContact CG2-CG2 4.22Å
345	P	93.8	Very high	95.4	Very high	21 Å²	21	44.6 Å²	44.6	14%	0.136	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-63.6	145.1	175.1	-21.2	32.2	0	0	0	113.1	P343 K347 V350 D354 L358	P343-P345 WeakPolarHBondContact O-CD 3.37Å; P345-K347 VanDerWaalsContact C-N 3.28Å; P345-K347 HydrophobicContact CB-CG 4.37Å; P345-K347 PolarHBondContact O-N 3.07Å; P345-V350 HydrophobicContact CG-CG1 4.43Å; P345-D354 HydrophobicContact CG-CB 4Å; P345-L358 HydrophobicContact CB-CD2 4.09Å; P345-L358 HydrophobicContact CG-CB 4.15Å; P345-L358 HydrophobicContact CG-CD2 3.77Å
346	K	89.3	Confident	95.5	Very high	192 Å²	192	42.1 Å²	42.1	84%	0.835	23%	0.225	S	C	*	.	S	Bend	trans	-81.8	67.6	176.2	-64.1	-176.1	-179.9	180	0	111.3
347	K	90	Very high	95.6	Very high	93 Å²	93	43.6 Å²	43.6	40%	0.404	23%	0.23	S	C	.	.	S	Bend	trans	-136.2	168.9	170.6	64.2	168.8	174.6	145.6	0	111.1	P345 N349 V350 D354	P345-K347 VanDerWaalsContact C-N 3.28Å; P345-K347 HydrophobicContact CB-CG 4.37Å; P345-K347 PolarHBondContact O-N 3.07Å; K347-N349 WeakPolarHBondContact CD-O 3.39Å; K347-N349 WeakPolarHBondContact CE-O 3.26Å; K347-N349 PolarHBondContact NZ-O 3.36Å; K347-V350 HydrophobicContact CG-CG2 3.69Å; K347-V350 WeakPolarHBondContact O-CG2 3.36Å; K347-D354 VanDerWaalsContact CE-OD1 3.23Å; K347-D354 WeakPolarHBondContact CE-OD1 3.45Å; K347-D354 WeakPolarHBondContact CE-OD2 3.29Å; K347-D354 IonicContact NZ-OD1 2.68Å; K347-D354 PolarHBondContact NZ-OD1 3.25Å; K347-D354 IonicContact NZ-OD2 2.72Å; K347-D354 PolarHBondContact NZ-OD2 3Å
348	S	83.9	Confident	95.5	Very high	103 Å²	103	45.3 Å²	45.3	72%	0.72	24%	0.239	S	C	*	.	S	Bend	trans	-70.7	-56.9	-179.4	46.9	0	0	0	0	112.9
349	N	89.6	Confident	95.5	Very high	131 Å²	131	44.8 Å²	44.8	70%	0.701	24%	0.238	S	C	*	.	S	Bend	trans	-97.7	98.3	-176.8	-61.3	3.6	0	0	0	108.7	K347	K347-N349 WeakPolarHBondContact CD-O 3.39Å; K347-N349 WeakPolarHBondContact CE-O 3.26Å; K347-N349 PolarHBondContact NZ-O 3.36Å
350	V	96.8	Very high	95.4	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.042	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.5	-179.6	179.8	0	0	0	0	110	I344 P345 K347 D354 C355 V413 V415 D416	I344-V350 HydrophobicContact CG2-CG1 4.34Å; P345-V350 HydrophobicContact CG-CG1 4.43Å; K347-V350 HydrophobicContact CG-CG2 3.69Å; K347-V350 WeakPolarHBondContact O-CG2 3.36Å; V350-D354 HydrophobicContact CG1-CB 4.34Å; V350-C355 WeakPolarHBondContact CG1-SG 3.14Å; V350-V413 HydrophobicContact CB-CG1 4.42Å; V350-V413 HydrophobicContact CG2-CG1 3.93Å; V350-V415 HydrophobicContact CB-CG2 4.45Å; V350-V415 HydrophobicContact CG1-CG1 4.31Å; V350-V415 HydrophobicContact CG1-CG2 4.04Å; V350-V415 CarbonylContact O-C 3.6Å; V350-V415 WeakPolarHBondContact O-CA 3.48Å; V350-D416 PolarHBondContact O-N 2.99Å
351	S	97.4	Very high	95.4	Very high	28 Å²	28	47.5 Å²	47.5	20%	0.196	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	163.8	165.8	67.6	0	0	0	0	111.4	L353 D354 C355 D416	S351-L353 PolarHBondContact O-N 3.15Å; S351-L353 PolarHBondContact OG-N 2.96Å; S351-D354 WeakPolarHBondContact CB-OD2 3.47Å; S351-D354 PolarHBondContact N-OD2 3.48Å; S351-D354 WeakPolarHBondContact O-CB 3.4Å; S351-D354 PolarHBondContact O-N 3.38Å; S351-D354 VanDerWaalsContact O-N 3.08Å; S351-D354 VanDerWaalsContact OG-CG 3.29Å; S351-D354 PolarHBondContact OG-N 2.85Å; S351-D354 VanDerWaalsContact OG-N 3.12Å; S351-D354 PolarHBondContact OG-OD2 2.78Å; S351-C355 PolarHBondContact O-N 3.33Å; S351-C355 PolarHBondContact O-SG 3.43Å; S351-C355 VanDerWaalsContact O-SG 3.41Å; S351-D416 CarbonylContact C-O 3.59Å; S351-D416 WeakPolarHBondContact CA-O 3.14Å
352	I	98.1	Very high	95.3	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-59.3	-32	170.7	-166.4	63.4	0	0	0	111.7	L342 C355 L356 L397 L399 D416 L422 L492	L342-I352 HydrophobicContact CD1-CD1 3.61Å; L342-I352 HydrophobicContact CD1-CG1 4.39Å; I352-C355 WeakPolarHBondContact O-CB 3.34Å; I352-C355 PolarHBondContact O-N 2.84Å; I352-L356 HydrophobicContact CG1-CD1 4.4Å; I352-L356 WeakPolarHBondContact O-CG 3.4Å; I352-L356 PolarHBondContact O-N 2.89Å; I352-L397 HydrophobicContact CD1-CD1 3.96Å; I352-L397 HydrophobicContact CG1-CD1 3.76Å; I352-L399 HydrophobicContact CD1-CD2 3.81Å; I352-D416 PolarHBondContact N-O 2.85Å; I352-L422 HydrophobicContact CG2-CD1 3.75Å; I352-L422 HydrophobicContact CG2-CD2 4.35Å; I352-L492 HydrophobicContact CD1-CD1 3.81Å; I352-L492 HydrophobicContact CG1-CD1 4.41Å
353	L	98	Very high	95.2	Very high	68 Å²	68	56 Å²	56	36%	0.356	29%	0.293	S	S	.	.	H	α-helix	trans	-67.1	-34.6	174.9	-62.6	176.3	0	0	0	111.9	S351 L356 N357 L422 L424 F427	S351-L353 PolarHBondContact O-N 3.15Å; S351-L353 PolarHBondContact OG-N 2.96Å; L353-L356 HydrophobicContact CD2-CD1 4.41Å; L353-L356 PolarHBondContact O-N 3.34Å; L353-N357 WeakPolarHBondContact O-CB 3.37Å; L353-N357 VanDerWaalsContact O-CG 3.32Å; L353-N357 PolarHBondContact O-N 3.49Å; L353-N357 PolarHBondContact O-ND2 3.48Å; L353-L422 HydrophobicContact CD2-CD1 3.85Å; L353-L422 HydrophobicContact CG-CD1 4.4Å; L353-L424 HydrophobicContact CD2-CD2 4.12Å; L353-F427 HydrophobicContact CD2-CE2 3.85Å; L353-F427 HydrophobicContact CD2-CZ 4.27Å
354	D	97.8	Very high	95.2	Very high	43 Å²	43	58.9 Å²	58.9	23%	0.23	30%	0.304	C	S	.	.	H	α-helix	trans	-66.9	-37.7	172.1	-63	-77.6	0	0	0	112.2	P345 K347 V350 S351 L356 N357 L358	P345-D354 HydrophobicContact CG-CB 4Å; K347-D354 VanDerWaalsContact CE-OD1 3.23Å; K347-D354 WeakPolarHBondContact CE-OD1 3.45Å; K347-D354 WeakPolarHBondContact CE-OD2 3.29Å; K347-D354 IonicContact NZ-OD1 2.68Å; K347-D354 PolarHBondContact NZ-OD1 3.25Å; K347-D354 IonicContact NZ-OD2 2.72Å; K347-D354 PolarHBondContact NZ-OD2 3Å; V350-D354 HydrophobicContact CG1-CB 4.34Å; S351-D354 WeakPolarHBondContact CB-OD2 3.47Å; S351-D354 PolarHBondContact N-OD2 3.48Å; S351-D354 WeakPolarHBondContact O-CB 3.4Å; S351-D354 PolarHBondContact O-N 3.38Å; S351-D354 VanDerWaalsContact O-N 3.08Å; S351-D354 VanDerWaalsContact OG-CG 3.29Å; S351-D354 PolarHBondContact OG-N 2.85Å; S351-D354 VanDerWaalsContact OG-N 3.12Å; S351-D354 PolarHBondContact OG-OD2 2.78Å; D354-L356 VanDerWaalsContact C-N 3.35Å; D354-N357 PolarHBondContact O-N 3.3Å; D354-L358 WeakPolarHBondContact O-CB 3.48Å; D354-L358 PolarHBondContact O-N 3.26Å
355	C	98.1	Very high	95.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-67	-37.7	176.3	-58.5	0	0	0	0	111.5	L342 V350 S351 I352 F359	L342-C355 HydrophobicContact CB-CB 3.99Å; L342-C355 HydrophobicContact CD1-CB 4Å; V350-C355 WeakPolarHBondContact CG1-SG 3.14Å; S351-C355 PolarHBondContact O-N 3.33Å; S351-C355 PolarHBondContact O-SG 3.43Å; S351-C355 VanDerWaalsContact O-SG 3.41Å; I352-C355 WeakPolarHBondContact O-CB 3.34Å; I352-C355 PolarHBondContact O-N 2.84Å; C355-F359 WeakPolarHBondContact O-CB 3.44Å; C355-F359 PolarHBondContact O-N 2.88Å
356	L	97.9	Very high	95.1	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-69.3	-44.3	173	-75.9	158.5	0	0	0	112.3	L340 L342 I352 L353 D354 L358 F359 T360 L424 F427	L340-L356 HydrophobicContact CD1-CD2 4.3Å; L342-L356 HydrophobicContact CD1-CD2 4.1Å; L342-L356 HydrophobicContact CD1-CG 3.9Å; L342-L356 HydrophobicContact CD2-CD2 3.69Å; L342-L356 HydrophobicContact CD2-CG 4.2Å; I352-L356 HydrophobicContact CG1-CD1 4.4Å; I352-L356 WeakPolarHBondContact O-CG 3.4Å; I352-L356 PolarHBondContact O-N 2.89Å; L353-L356 HydrophobicContact CD2-CD1 4.41Å; L353-L356 PolarHBondContact O-N 3.34Å; D354-L356 VanDerWaalsContact C-N 3.35Å; L356-L358 VanDerWaalsContact C-N 3.29Å; L356-L358 PolarHBondContact O-N 2.81Å; L356-F359 WeakPolarHBondContact O-CA 3.37Å; L356-F359 WeakPolarHBondContact O-CB 3.48Å; L356-F359 PolarHBondContact O-N 3.47Å; L356-T360 PolarHBondContact O-N 2.77Å; L356-T360 PolarHBondContact O-OG1 3.1Å; L356-L424 HydrophobicContact CD1-CD2 3.52Å; L356-F427 HydrophobicContact CB-CD1 4.44Å; L356-F427 HydrophobicContact CB-CE1 3.78Å; L356-F427 HydrophobicContact CB-CE2 3.88Å; L356-F427 HydrophobicContact CB-CZ 3.46Å; L356-F427 VanDerWaalsContact CB-CZ 3.46Å; L356-F427 HydrophobicContact CD1-CE2 3.97Å; L356-F427 HydrophobicContact CD1-CZ 4.37Å; L356-F427 HydrophobicContact CG-CE2 4.48Å
357	N	97.8	Very high	95.3	Very high	88 Å²	88	53.6 Å²	53.6	47%	0.471	29%	0.294	S	S	.	.	H	α-helix	trans	-58.3	-40.1	173.3	-80.8	-48.3	0	0	0	111.9	L353 D354 F359 T360 S361 F427	L353-N357 WeakPolarHBondContact O-CB 3.37Å; L353-N357 VanDerWaalsContact O-CG 3.32Å; L353-N357 PolarHBondContact O-N 3.49Å; L353-N357 PolarHBondContact O-ND2 3.48Å; D354-N357 PolarHBondContact O-N 3.3Å; N357-F359 VanDerWaalsContact C-N 3.32Å; N357-T360 PolarHBondContact O-OG1 2.9Å; N357-S361 VanDerWaalsContact O-CB 3.27Å; N357-S361 WeakPolarHBondContact O-CB 3.41Å; N357-S361 PolarHBondContact O-N 3.26Å; N357-F427 WeakPolarHBondContact OD1-CE1 3.42Å
358	L	97.1	Very high	95.4	Very high	49 Å²	49	56.8 Å²	56.8	26%	0.257	32%	0.315	S	S	.	.	H	α-helix	trans	-71.3	-26.4	174.8	-173.3	60.8	0	0	0	112.8	P343 P345 D354 L356 S361	P343-L358 HydrophobicContact CB-CD2 4Å; P343-L358 HydrophobicContact CB-CG 4.33Å; P343-L358 HydrophobicContact CG-CB 4.12Å; P343-L358 HydrophobicContact CG-CD2 3.94Å; P343-L358 HydrophobicContact CG-CG 3.75Å; P345-L358 HydrophobicContact CB-CD2 4.09Å; P345-L358 HydrophobicContact CG-CB 4.15Å; P345-L358 HydrophobicContact CG-CD2 3.77Å; D354-L358 WeakPolarHBondContact O-CB 3.48Å; D354-L358 PolarHBondContact O-N 3.26Å; L356-L358 VanDerWaalsContact C-N 3.29Å; L356-L358 PolarHBondContact O-N 2.81Å; L358-S361 PolarHBondContact O-OG 3.28Å
359	F	97.1	Very high	95.8	Very high	35 Å²	35	56.4 Å²	56.4	15%	0.154	30%	0.302	C	S	.	.	H	α-helix	trans	-73.6	-40.1	173	177.8	-96.7	0	0	0	112.7	L318 L340 L342 C355 L356 N357 F386	L318-F359 HydrophobicContact CD1-CE1 4.22Å; L318-F359 HydrophobicContact CD1-CZ 3.87Å; L318-F359 HydrophobicContact CD2-CE1 4Å; L318-F359 HydrophobicContact CD2-CZ 4.48Å; L340-F359 HydrophobicContact CD2-CE1 4.08Å; L340-F359 HydrophobicContact CD2-CZ 3.98Å; L342-F359 HydrophobicContact CD2-CB 3.85Å; L342-F359 HydrophobicContact CD2-CD1 4.43Å; L342-F359 HydrophobicContact CD2-CD2 4.24Å; L342-F359 HydrophobicContact CD2-CG 3.93Å; C355-F359 WeakPolarHBondContact O-CB 3.44Å; C355-F359 PolarHBondContact O-N 2.88Å; L356-F359 WeakPolarHBondContact O-CA 3.37Å; L356-F359 WeakPolarHBondContact O-CB 3.48Å; L356-F359 PolarHBondContact O-N 3.47Å; N357-F359 VanDerWaalsContact C-N 3.32Å; F359-F386 HydrophobicContact CE1-CB 4.11Å; F359-F386 HydrophobicContact CE1-CG 4.44Å; F359-F386 HydrophobicContact CZ-CD2 4.48Å
360	T	97.3	Very high	96	Very high	27 Å²	27	54.7 Å²	54.7	17%	0.166	29%	0.286	C	S	.	.	H	α-helix	trans	-85.9	-18.5	-179.3	56	0	0	0	0	114.2	L356 N357 F386 F427	L356-T360 PolarHBondContact O-N 2.77Å; L356-T360 PolarHBondContact O-OG1 3.1Å; N357-T360 PolarHBondContact O-OG1 2.9Å; T360-F386 WeakPolarHBondContact CA-O 3.47Å; T360-F386 WeakPolarHBondContact CB-O 3.34Å; T360-F386 VanDerWaalsContact CG2-O 3.29Å; T360-F386 WeakPolarHBondContact CG2-O 3.39Å; T360-F427 HydrophobicContact CG2-CD1 3.88Å
361	S	96.7	Very high	95.8	Very high	50 Å²	50	54.8 Å²	54.8	35%	0.35	29%	0.287	S	S	.	.	S	Bend	trans	-50.8	151.4	-179.8	65.9	0	0	0	0	114.5	N357 L358 E363	N357-S361 VanDerWaalsContact O-CB 3.27Å; N357-S361 WeakPolarHBondContact O-CB 3.41Å; N357-S361 PolarHBondContact O-N 3.26Å; L358-S361 PolarHBondContact O-OG 3.28Å; S361-E363 PolarHBondContact O-N 3.47Å
362	K	96.1	Very high	95.6	Very high	122 Å²	122	55.5 Å²	55.5	53%	0.53	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-68.3	124.5	175.1	-74.9	-172.1	175.8	-165.8	0	111.4	E323 A383 K384	E323-K362 IonicContact OE2-NZ 2.72Å; E323-K362 PolarHBondContact OE2-NZ 3.08Å; K362-A383 HydrophobicContact CD-CB 4.13Å; K362-K384 CarbonylContact C-O 2.91Å; K362-K384 WeakPolarHBondContact CA-O 3.2Å
363	E	94.6	Very high	95.3	Very high	75 Å²	75	55.8 Å²	55.8	35%	0.35	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126	171.7	-178.6	167.8	-109.6	0	0	109.7	S361 L365 A383 K384	S361-E363 PolarHBondContact O-N 3.47Å; E363-L365 HydrophobicContact CG-CD2 4.23Å; E363-A383 CarbonylContact O-C 3.59Å; E363-A383 WeakPolarHBondContact O-CA 3.37Å; E363-K384 PolarHBondContact N-O 2.83Å; E363-K384 PolarHBondContact O-N 3.34Å
364	E	95.8	Very high	94.8	Very high	89 Å²	89	54 Å²	54	42%	0.416	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	110.4	-178.7	-69.5	-69.6	143.8	0	0	110.8	D366 R381	E364-D366 PolarHBondContact O-N 2.94Å; E364-R381 IonicContact OE1-NH2 3.9Å; E364-R381 IonicContact OE2-CZ 2.81Å; E364-R381 IonicContact OE2-NE 2.76Å; E364-R381 PolarHBondContact OE2-NE 2.72Å; E364-R381 IonicContact OE2-NH2 2.76Å; E364-R381 PolarHBondContact OE2-NH2 2.88Å
365	L	94	Very high	94.5	Very high	10 Å²	10	59.7 Å²	59.7	5%	0.052	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	98.1	178.6	-56.6	180	0	0	0	110.1	L28 L322 E363 P371 C382 K384	L28-L365 HydrophobicContact CD1-CD1 3.99Å; L322-L365 HydrophobicContact CD1-CD1 3.97Å; E363-L365 HydrophobicContact CG-CD2 4.23Å; L365-P371 HydrophobicContact CD1-CG 4.3Å; L365-C382 WeakPolarHBondContact CB-O 3.32Å; L365-C382 PolarHBondContact N-O 2.92Å; L365-C382 PolarHBondContact O-N 2.68Å; L365-K384 HydrophobicContact CD1-CB 3.93Å; L365-K384 HydrophobicContact CD1-CD 4.11Å; L365-K384 HydrophobicContact CG-CB 4.27Å
366	D	93.2	Very high	94.2	Very high	65 Å²	65	61.7 Å²	61.7	35%	0.348	32%	0.315	S	S	.	.			trans	-127.4	175.5	-176.7	-152.5	-7.7	0	0	0	112.7	E364 N368 E369 R370 R381	E364-D366 PolarHBondContact O-N 2.94Å; D366-N368 PolarHBondContact O-N 3.32Å; D366-N368 VanDerWaalsContact O-N 3.16Å; D366-E369 PolarHBondContact O-N 2.81Å; D366-R370 PolarHBondContact O-N 2.93Å; D366-R370 IonicContact OD1-CZ 3.12Å; D366-R370 IonicContact OD1-NE 2.69Å; D366-R370 PolarHBondContact OD1-NE 2.98Å; D366-R370 IonicContact OD1-NH2 2.71Å; D366-R370 PolarHBondContact OD1-NH2 3.14Å; D366-R381 HydrophobicContact CB-CG 4.3Å
367	G	93.2	Very high	94	Very high	41 Å²	41	66.6 Å²	66.6	42%	0.423	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	51.8	-116.2	-177.3	0	0	0	0	0	114	E369 R370 R379	G367-E369 VanDerWaalsContact C-N 3.27Å; G367-E369 PolarHBondContact O-N 2.96Å; G367-R370 WeakPolarHBondContact O-CG 3.43Å; G367-R379 PolarHBondContact O-NH2 3.29Å
368	N	92.8	Very high	93.9	Very high	159 Å²	159	65.5 Å²	65.5	85%	0.85	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-71.1	-21.7	179.4	-69.8	-31.1	0	0	0	113.1	D366 R379	D366-N368 PolarHBondContact O-N 3.32Å; D366-N368 VanDerWaalsContact O-N 3.16Å; N368-R379 VanDerWaalsContact C-NH2 3.26Å; N368-R379 PolarHBondContact O-NH2 2.96Å
369	E	92.1	Very high	93.9	Very high	95 Å²	95	68.5 Å²	68.5	44%	0.444	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-94	-7.4	-175.2	-63.3	177.6	164.6	0	0	112.8	D366 G367 P371	D366-E369 PolarHBondContact O-N 2.81Å; G367-E369 VanDerWaalsContact C-N 3.27Å; G367-E369 PolarHBondContact O-N 2.96Å; E369-P371 WeakPolarHBondContact O-CD 3.46Å; E369-P371 VanDerWaalsContact O-N 3.13Å
370	R	94	Very high	93.9	Very high	95 Å²	95	70.6 Å²	70.6	36%	0.358	35%	0.348	S	S	.	.			trans	-43.4	115.2	171.8	-73.9	-177.1	-175.5	166	6.8	112	D366 G367 R379 R380	D366-R370 PolarHBondContact O-N 2.93Å; D366-R370 IonicContact OD1-CZ 3.12Å; D366-R370 IonicContact OD1-NE 2.69Å; D366-R370 PolarHBondContact OD1-NE 2.98Å; D366-R370 IonicContact OD1-NH2 2.71Å; D366-R370 PolarHBondContact OD1-NH2 3.14Å; G367-R370 WeakPolarHBondContact O-CG 3.43Å; R370-R379 HydrophobicContact CB-CB 4.4Å; R370-R379 PolarHBondContact O-NH1 3.47Å; R370-R379 PolarHBondContact O-NH2 2.68Å; R370-R380 VanDerWaalsContact CB-O 3.25Å; R370-R380 WeakPolarHBondContact CB-O 3.31Å; R370-R380 WeakPolarHBondContact CG-O 3.42Å
371	P	93.2	Very high	93.9	Very high	10 Å²	10	74.8 Å²	74.8	7%	0.065	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-73	173.8	169.6	31.9	-34.3	0	0	0	110.6	L28 L322 L365 E369 R379 R380 C382	L28-P371 HydrophobicContact CD1-CB 4.36Å; L322-P371 HydrophobicContact CD1-CG 4.12Å; L322-P371 HydrophobicContact CD2-CB 4.12Å; L322-P371 HydrophobicContact CD2-CG 3.88Å; L322-P371 HydrophobicContact CG-CG 4.46Å; L365-P371 HydrophobicContact CD1-CG 4.3Å; E369-P371 WeakPolarHBondContact O-CD 3.46Å; E369-P371 VanDerWaalsContact O-N 3.13Å; P371-R379 WeakPolarHBondContact O-CA 3.16Å; P371-R380 PolarHBondContact O-N 2.97Å; P371-C382 HydrophobicContact CG-CB 3.67Å
372	I	92.8	Very high	93.9	Very high	42 Å²	42	72.5 Å²	72.5	22%	0.215	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-100.4	117.5	176.4	-36.3	-170	0	0	0	108.4	R25 Y26 T378 R379	R25-I372 WeakPolarHBondContact O-CD1 3.16Å; Y26-I372 HydrophobicContact CD1-CB 3.74Å; Y26-I372 HydrophobicContact CD1-CG2 4.14Å; Y26-I372 HydrophobicContact CD2-CD1 4.13Å; Y26-I372 HydrophobicContact CE1-CB 3.53Å; Y26-I372 HydrophobicContact CE1-CG2 3.39Å; Y26-I372 HydrophobicContact CE2-CB 4.34Å; Y26-I372 HydrophobicContact CE2-CD1 3.94Å; Y26-I372 HydrophobicContact CE2-CG2 4.14Å; Y26-I372 HydrophobicContact CG-CB 4.25Å; Y26-I372 WeakPolarHBondContact OH-CG2 3.37Å; I372-T378 WeakPolarHBondContact CA-O 3.46Å; I372-T378 WeakPolarHBondContact CG2-O 3.49Å; I372-R379 HydrophobicContact CD1-CG 4.42Å; I372-R379 HydrophobicContact CG1-CG 3.93Å
373	C	92.7	Very high	93.9	Very high	7 Å²	7	67.2 Å²	67.2	5%	0.047	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-72.2	133.1	-175.9	172	0	0	0	0	111.1	C324 R375 C376 K377 T378 R380	C324-C373 HydrophobicContact CB-CB 4.38Å; C324-C373 VanDerWaalsContact SG-SG 3.68Å; C373-R375 VanDerWaalsContact C-N 3.3Å; C373-R375 PolarHBondContact O-N 2.92Å; C373-R375 PolarHBondContact SG-N 3.48Å; C373-C376 HydrophobicContact CB-CB 4.01Å; C373-C376 PolarHBondContact SG-N 2.8Å; C373-C376 VanDerWaalsContact SG-N 3.45Å; C373-K377 VanDerWaalsContact O-CA 3.32Å; C373-K377 WeakPolarHBondContact O-CA 3.4Å; C373-K377 PolarHBondContact O-N 2.73Å; C373-T378 PolarHBondContact N-O 3.36Å; C373-R380 HydrophobicContact CB-CB 4.05Å; C373-R380 HydrophobicContact CB-CG 3.78Å
374	S	87.4	Confident	94	Very high	31 Å²	31	64.7 Å²	64.7	22%	0.217	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-25.3	-178.9	54.8	0	0	0	0	113.6	F329 K377	F329-S374 VanDerWaalsContact CE1-OG 3.28Å; F329-S374 WeakPolarHBondContact CE1-OG 3.28Å; S374-K377 VanDerWaalsContact O-CD 3.29Å; S374-K377 WeakPolarHBondContact O-CD 3.21Å; S374-K377 VanDerWaalsContact O-CE 3.25Å; S374-K377 WeakPolarHBondContact O-CE 3.42Å; S374-K377 PolarHBondContact O-NZ 2.78Å
375	R	90.1	Very high	94.1	Very high	163 Å²	163	61.7 Å²	61.7	62%	0.615	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-47.3	172.2	-68.7	-164	-176.7	-174.9	0.4	113.5	F329 C373 K377	F329-R375 HydrophobicContact CB-CG 4.33Å; F329-R375 HydrophobicContact CD1-CB 4.47Å; F329-R375 HydrophobicContact CD1-CG 3.8Å; F329-R375 HydrophobicContact CD2-CG 4.34Å; F329-R375 HydrophobicContact CE1-CG 4.26Å; F329-R375 HydrophobicContact CG-CG 3.85Å; C373-R375 VanDerWaalsContact C-N 3.3Å; C373-R375 PolarHBondContact O-N 2.92Å; C373-R375 PolarHBondContact SG-N 3.48Å; R375-K377 PolarHBondContact O-N 2.97Å
376	C	93.3	Very high	94.2	Very high	41 Å²	41	62.6 Å²	62.6	28%	0.277	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-12.1	179.5	-54.4	0	0	0	0	114.2	C373 T378 R380	C373-C376 HydrophobicContact CB-CB 4.01Å; C373-C376 PolarHBondContact SG-N 2.8Å; C373-C376 VanDerWaalsContact SG-N 3.45Å; C376-T378 HydrophobicContact CB-CG2 4.12Å; C376-T378 PolarHBondContact O-N 3.07Å; C376-R380 HydrophobicContact CB-CG 3.98Å
377	K	93.2	Very high	94.4	Very high	105 Å²	105	60.6 Å²	60.6	46%	0.457	29%	0.294	S	S	.	.			trans	50.7	18.7	-173.6	-51.4	-63.1	-173.8	-161.5	0	115	Y26 E284 C373 S374 R375	Y26-K377 PolarHBondContact OH-O 3.44Å; E284-K377 VanDerWaalsContact CD-NZ 3.25Å; E284-K377 IonicContact OE1-NZ 2.63Å; E284-K377 PolarHBondContact OE1-NZ 3.25Å; E284-K377 IonicContact OE2-NZ 3.31Å; E284-K377 PolarHBondContact OE2-NZ 2.98Å; C373-K377 VanDerWaalsContact O-CA 3.32Å; C373-K377 WeakPolarHBondContact O-CA 3.4Å; C373-K377 PolarHBondContact O-N 2.73Å; S374-K377 VanDerWaalsContact O-CD 3.29Å; S374-K377 WeakPolarHBondContact O-CD 3.21Å; S374-K377 VanDerWaalsContact O-CE 3.25Å; S374-K377 WeakPolarHBondContact O-CE 3.42Å; S374-K377 PolarHBondContact O-NZ 2.78Å; R375-K377 PolarHBondContact O-N 2.97Å
378	T	95.9	Very high	94.7	Very high	64 Å²	64	58.8 Å²	58.8	39%	0.393	28%	0.275	S	S	.	.	S	Bend	trans	-139.9	168.9	-178.6	-167.1	0	0	0	0	112.2	I372 C373 C376 R380	I372-T378 WeakPolarHBondContact CA-O 3.46Å; I372-T378 WeakPolarHBondContact CG2-O 3.49Å; C373-T378 PolarHBondContact N-O 3.36Å; C376-T378 HydrophobicContact CB-CG2 4.12Å; C376-T378 PolarHBondContact O-N 3.07Å; T378-R380 HydrophobicContact CG2-CG 4.29Å; T378-R380 WeakPolarHBondContact O-CG 3.4Å
379	R	96.5	Very high	94.9	Very high	113 Å²	113	51.7 Å²	51.7	43%	0.426	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-68.4	127.6	179.7	-77.1	176.4	66.6	84.6	-1	110.2	G367 N368 R370 P371 I372	G367-R379 PolarHBondContact O-NH2 3.29Å; N368-R379 VanDerWaalsContact C-NH2 3.26Å; N368-R379 PolarHBondContact O-NH2 2.96Å; R370-R379 HydrophobicContact CB-CB 4.4Å; R370-R379 PolarHBondContact O-NH1 3.47Å; R370-R379 PolarHBondContact O-NH2 2.68Å; P371-R379 WeakPolarHBondContact O-CA 3.16Å; I372-R379 HydrophobicContact CD1-CG 4.42Å; I372-R379 HydrophobicContact CG1-CG 3.93Å
380	R	96.5	Very high	95.2	Very high	79 Å²	79	49.6 Å²	49.6	30%	0.298	23%	0.226	S	C	.	.			trans	-137.1	153.9	-169.2	-71.4	-67.3	173.3	-161.6	1.4	110.7	E326 R370 P371 C373 C376 T378	E326-R380 WeakPolarHBondContact OE1-CD 3.5Å; E326-R380 IonicContact OE1-CZ 3.99Å; E326-R380 IonicContact OE1-NE 3.94Å; E326-R380 IonicContact OE1-NH1 3.18Å; E326-R380 PolarHBondContact OE1-NH1 2.68Å; E326-R380 WeakPolarHBondContact OE2-CB 3.29Å; E326-R380 WeakPolarHBondContact OE2-CD 3.49Å; R370-R380 VanDerWaalsContact CB-O 3.25Å; R370-R380 WeakPolarHBondContact CB-O 3.31Å; R370-R380 WeakPolarHBondContact CG-O 3.42Å; P371-R380 PolarHBondContact O-N 2.97Å; C373-R380 HydrophobicContact CB-CB 4.05Å; C373-R380 HydrophobicContact CB-CG 3.78Å; C376-R380 HydrophobicContact CB-CG 3.98Å; T378-R380 HydrophobicContact CG2-CG 4.29Å; T378-R380 WeakPolarHBondContact O-CG 3.4Å
381	R	97	Very high	95.4	Very high	115 Å²	115	45.1 Å²	45.1	43%	0.434	21%	0.209	S	C	.	.			trans	-73.5	132	168.8	176.1	179.4	160.8	-166.6	-10.5	107.5	G325 E326 E364 D366	G325-R381 PolarHBondContact N-O 2.73Å; E326-R381 PolarHBondContact OE1-N 2.76Å; E326-R381 PolarHBondContact OE2-N 2.92Å; E364-R381 IonicContact OE1-NH2 3.9Å; E364-R381 IonicContact OE2-CZ 2.81Å; E364-R381 IonicContact OE2-NE 2.76Å; E364-R381 PolarHBondContact OE2-NE 2.72Å; E364-R381 IonicContact OE2-NH2 2.76Å; E364-R381 PolarHBondContact OE2-NH2 2.88Å; D366-R381 HydrophobicContact CB-CG 4.3Å
382	C	96.8	Very high	95.7	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.014	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140.6	-179.9	-71.9	0	0	0	0	111.8	L322 E323 L365 P371	L322-C382 HydrophobicContact CD1-CB 3.61Å; L322-C382 HydrophobicContact CG-CB 4.04Å; E323-C382 CarbonylContact O-C 3.49Å; E323-C382 WeakPolarHBondContact O-CA 3.35Å; E323-C382 WeakPolarHBondContact O-CB 3.28Å; L365-C382 WeakPolarHBondContact CB-O 3.32Å; L365-C382 PolarHBondContact N-O 2.92Å; L365-C382 PolarHBondContact O-N 2.68Å; P371-C382 HydrophobicContact CG-CB 3.67Å
383	A	97.3	Very high	95.9	Very high	10 Å²	10	45 Å²	45	8%	0.083	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	132.3	163	0	0	0	0	0	109.1	E323 K362 E363	E323-A383 HydrophobicContact CB-CB 4.45Å; E323-A383 PolarHBondContact N-O 3.46Å; E323-A383 PolarHBondContact O-N 3.08Å; K362-A383 HydrophobicContact CD-CB 4.13Å; E363-A383 CarbonylContact O-C 3.59Å; E363-A383 WeakPolarHBondContact O-CA 3.37Å
384	K	96.4	Very high	96.2	Very high	23 Å²	23	44.8 Å²	44.8	10%	0.1	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.9	174.4	-178.8	178.4	173.7	-178.9	0	109.9	T321 L322 K362 E363 L365	T321-K384 WeakPolarHBondContact O-CA 3.35Å; L322-K384 HydrophobicContact CD1-CB 4.01Å; L322-K384 HydrophobicContact CD1-CG 4.49Å; K362-K384 CarbonylContact C-O 2.91Å; K362-K384 WeakPolarHBondContact CA-O 3.2Å; E363-K384 PolarHBondContact N-O 2.83Å; E363-K384 PolarHBondContact O-N 3.34Å; L365-K384 HydrophobicContact CD1-CB 3.93Å; L365-K384 HydrophobicContact CD1-CD 4.11Å; L365-K384 HydrophobicContact CG-CB 4.27Å
385	S	97.2	Very high	96.8	Very high	25 Å²	25	43.3 Å²	43.3	18%	0.175	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	160.9	175.8	54.2	0	0	0	0	111.7	T321	T321-S385 PolarHBondContact N-O 3.09Å; T321-S385 PolarHBondContact O-N 3.26Å
386	F	97.2	Very high	97.2	Very high	30 Å²	30	35.6 Å²	35.6	13%	0.132	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	148.3	176	-60.9	-76.9	0	0	0	111.5	V30 L318 M319 S320 F359 T360	V30-F386 HydrophobicContact CG1-CZ 4.15Å; V30-F386 HydrophobicContact CG2-CE1 3.86Å; V30-F386 HydrophobicContact CG2-CZ 3.84Å; L318-F386 HydrophobicContact CD1-CD1 4.41Å; M319-F386 WeakPolarHBondContact O-CA 3.24Å; S320-F386 WeakPolarHBondContact OG-CE1 3.47Å; F359-F386 HydrophobicContact CE1-CB 4.11Å; F359-F386 HydrophobicContact CE1-CG 4.44Å; F359-F386 HydrophobicContact CZ-CD2 4.48Å; T360-F386 WeakPolarHBondContact CA-O 3.47Å; T360-F386 WeakPolarHBondContact CB-O 3.34Å; T360-F386 VanDerWaalsContact CG2-O 3.29Å; T360-F386 WeakPolarHBondContact CG2-O 3.39Å
387	S	97.9	Very high	97.4	Very high	23 Å²	23	33.7 Å²	33.7	16%	0.161	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	168.9	165.6	51.3	0	0	0	0	109.9	L318 M319 T429	L318-S387 CarbonylContact C-O 3.53Å; L318-S387 WeakPolarHBondContact CA-O 3.38Å; M319-S387 PolarHBondContact N-O 3.26Å; M319-S387 PolarHBondContact O-N 2.81Å; S387-T429 VanDerWaalsContact OG-CG2 3.29Å; S387-T429 WeakPolarHBondContact OG-CG2 3.18Å
388	I	98.1	Very high	97.7	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.5	-173.7	-58.7	169.4	0	0	0	110.1	L318 F337 L340 K390 F391 F427 A428 T429	L318-I388 HydrophobicContact CD2-CG1 3.97Å; F337-I388 HydrophobicContact CE1-CG2 4.29Å; F337-I388 HydrophobicContact CZ-CG2 4.42Å; L340-I388 HydrophobicContact CD1-CD1 4.23Å; I388-K390 WeakPolarHBondContact CG2-O 3.41Å; I388-F391 HydrophobicContact CB-CD1 4.36Å; I388-F391 HydrophobicContact CB-CE1 3.9Å; I388-F391 HydrophobicContact CB-CE2 4.2Å; I388-F391 HydrophobicContact CB-CZ 3.81Å; I388-F391 HydrophobicContact CD1-CD1 3.96Å; I388-F391 HydrophobicContact CD1-CE1 3.48Å; I388-F391 VanDerWaalsContact CD1-CE1 3.48Å; I388-F391 HydrophobicContact CD1-CZ 4.18Å; I388-F391 HydrophobicContact CG1-CE1 4.28Å; I388-F391 HydrophobicContact CG2-CB 4.46Å; I388-F391 HydrophobicContact CG2-CD1 3.65Å; I388-F391 HydrophobicContact CG2-CD2 3.75Å; I388-F391 HydrophobicContact CG2-CE1 3.7Å; I388-F391 HydrophobicContact CG2-CE2 3.79Å; I388-F391 HydrophobicContact CG2-CG 3.66Å; I388-F391 HydrophobicContact CG2-CZ 3.77Å; I388-F427 HydrophobicContact CD1-CB 4.15Å; I388-F427 PolarHBondContact N-O 3.39Å; I388-A428 CarbonylContact O-C 3.56Å; I388-A428 VanDerWaalsContact O-CA 3.29Å; I388-A428 WeakPolarHBondContact O-CA 3.38Å; I388-T429 PolarHBondContact O-N 3.04Å; I388-T429 PolarHBondContact O-OG1 2.93Å
389	Q	98.3	Very high	97.8	Very high	11 Å²	11	26.3 Å²	26.3	5%	0.051	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-30.7	178	174	59.4	65.8	0	0	112.5	A295 Q317 M319 F334 T429 S431	A295-Q389 HydrophobicContact CB-CG 3.52Å; Q317-Q389 HydrophobicContact CB-CB 4.4Å; Q317-Q389 HydrophobicContact CG-CB 4.45Å; Q317-Q389 PolarHBondContact O-N 3.44Å; Q317-Q389 VanDerWaalsContact OE1-CG 3.3Å; M319-Q389 HydrophobicContact CB-CB 4.48Å; F334-Q389 HydrophobicContact CD1-CB 3.92Å; F334-Q389 HydrophobicContact CD1-CG 3.72Å; F334-Q389 HydrophobicContact CE1-CB 3.94Å; F334-Q389 HydrophobicContact CE1-CG 3.67Å; Q389-T429 HydrophobicContact CB-CG2 4.16Å; Q389-T429 PolarHBondContact OE1-OG1 2.96Å; Q389-T429 VanDerWaalsContact OE1-OG1 3.06Å; Q389-S431 PolarHBondContact NE2-O 3.2Å; Q389-S431 PolarHBondContact OE1-OG 2.87Å
390	K	98.1	Very high	97.7	Very high	50 Å²	50	23.6 Å²	23.6	22%	0.217	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	131.3	171.3	178.8	-166.4	174.9	-64.2	0	108.5	W299 V315 G316 Q317 I388	W299-K390 HydrophobicContact CD2-CD 4.35Å; W299-K390 HydrophobicContact CE3-CD 4.39Å; W299-K390 HydrophobicContact CH2-CD 3.69Å; W299-K390 HydrophobicContact CZ2-CD 3.61Å; W299-K390 HydrophobicContact CZ3-CD 4.08Å; V315-K390 PolarHBondContact O-NZ 2.84Å; G316-K390 CarbonylContact C-O 3.45Å; G316-K390 WeakPolarHBondContact CA-O 3.36Å; Q317-K390 HydrophobicContact CB-CB 3.82Å; Q317-K390 PolarHBondContact N-O 3.16Å; Q317-K390 PolarHBondContact O-N 3.19Å; Q317-K390 VanDerWaalsContact O-N 3.07Å; I388-K390 WeakPolarHBondContact CG2-O 3.41Å
391	F	98.4	Very high	97.5	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.009	9%	0.093	C	C	.	.			trans	-90.7	149.1	169.7	-54.2	-105.2	0	0	0	110.6	I388 L424 A428 A437 Y439	I388-F391 HydrophobicContact CB-CD1 4.36Å; I388-F391 HydrophobicContact CB-CE1 3.9Å; I388-F391 HydrophobicContact CB-CE2 4.2Å; I388-F391 HydrophobicContact CB-CZ 3.81Å; I388-F391 HydrophobicContact CD1-CD1 3.96Å; I388-F391 HydrophobicContact CD1-CE1 3.48Å; I388-F391 VanDerWaalsContact CD1-CE1 3.48Å; I388-F391 HydrophobicContact CD1-CZ 4.18Å; I388-F391 HydrophobicContact CG1-CE1 4.28Å; I388-F391 HydrophobicContact CG2-CB 4.46Å; I388-F391 HydrophobicContact CG2-CD1 3.65Å; I388-F391 HydrophobicContact CG2-CD2 3.75Å; I388-F391 HydrophobicContact CG2-CE1 3.7Å; I388-F391 HydrophobicContact CG2-CE2 3.79Å; I388-F391 HydrophobicContact CG2-CG 3.66Å; I388-F391 HydrophobicContact CG2-CZ 3.77Å; F391-L424 HydrophobicContact CD1-CB 4.36Å; F391-L424 HydrophobicContact CE1-CB 3.68Å; F391-L424 HydrophobicContact CZ-CB 4.48Å; F391-L424 WeakPolarHBondContact CZ-O 3.43Å; F391-A428 HydrophobicContact CE2-CB 3.92Å; F391-A428 HydrophobicContact CZ-CB 4.04Å; F391-A437 HydrophobicContact CD1-CB 3.87Å; F391-A437 HydrophobicContact CD2-CB 3.91Å; F391-A437 HydrophobicContact CE1-CB 3.76Å; F391-A437 HydrophobicContact CE2-CB 3.81Å; F391-A437 HydrophobicContact CG-CB 3.96Å; F391-A437 HydrophobicContact CZ-CB 3.73Å; F391-Y439 WeakPolarHBondContact CB-OH 3.41Å; F391-Y439 HydrophobicContact CD1-CE2 4.45Å
392	P	98.2	Very high	97	Very high	2 Å²	2	17 Å²	17	1%	0.013	8%	0.084	C	C	.	.			trans	-77.5	169.9	174.8	34.1	-36.8	0	0	0	112.1	F314 F337 I394 L395 Y439	F314-P392 VanDerWaalsContact C-CB 3.46Å; F314-P392 VanDerWaalsContact O-CB 3.29Å; F314-P392 WeakPolarHBondContact O-CB 3.29Å; F337-P392 HydrophobicContact CE2-CG 4.37Å; P392-I394 VanDerWaalsContact CB-O 3.32Å; P392-I394 WeakPolarHBondContact CB-O 3.25Å; P392-I394 VanDerWaalsContact CG-O 3.28Å; P392-I394 WeakPolarHBondContact CG-O 3.34Å; P392-L395 HydrophobicContact CG-CB 3.93Å; P392-L395 HydrophobicContact CG-CD1 3.91Å; P392-Y439 PolarHBondContact O-OH 3.43Å
393	Q	98.2	Very high	95.9	Very high	48 Å²	48	19.2 Å²	19.2	22%	0.224	10%	0.1	C	C	.	.	S	Bend	trans	-74.1	-39	167.5	-177.8	174.1	-60.9	0	0	110.4	L313 L496	L313-Q393 PolarHBondContact O-N 3.28Å; Q393-L496 PolarHBondContact O-N 3.29Å
394	I	98.7	Very high	93.9	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	112.1	175.2	-54.6	-58.9	0	0	0	108.3	T183 P185 L313 F314 P392 Y442 Y494	T183-I394 HydrophobicContact CG2-CD1 3.85Å; T183-I394 HydrophobicContact CG2-CG1 3.77Å; T183-I394 HydrophobicContact CG2-CG2 4.21Å; P185-I394 HydrophobicContact CG-CD1 4.35Å; L313-I394 HydrophobicContact CB-CG1 4.25Å; L313-I394 PolarHBondContact O-N 3.33Å; F314-I394 HydrophobicContact CD1-CB 4Å; F314-I394 HydrophobicContact CD1-CG2 3.78Å; F314-I394 HydrophobicContact CE1-CB 4.02Å; F314-I394 HydrophobicContact CE1-CG2 3.43Å; F314-I394 VanDerWaalsContact CE1-CG2 3.43Å; F314-I394 HydrophobicContact CG-CB 4.42Å; F314-I394 HydrophobicContact CZ-CB 4.43Å; F314-I394 HydrophobicContact CZ-CG2 4.04Å; P392-I394 VanDerWaalsContact CB-O 3.32Å; P392-I394 WeakPolarHBondContact CB-O 3.25Å; P392-I394 VanDerWaalsContact CG-O 3.28Å; P392-I394 WeakPolarHBondContact CG-O 3.34Å; I394-Y442 HydrophobicContact CD1-CE1 4.3Å; I394-Y442 HydrophobicContact CG2-CE1 4.2Å; I394-Y442 WeakPolarHBondContact CG2-OH 3.49Å; I394-Y494 CarbonylContact C-O 3.53Å; I394-Y494 WeakPolarHBondContact CA-O 3.25Å
395	L	98.7	Very high	92.1	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.6	179.5	177.8	63.5	0	0	0	110.3	F337 L340 P392 L397 L424 Y439 Y494	F337-L395 HydrophobicContact CE2-CD1 3.93Å; L340-L395 HydrophobicContact CD1-CD1 4.35Å; P392-L395 HydrophobicContact CG-CB 3.93Å; P392-L395 HydrophobicContact CG-CD1 3.91Å; L395-L397 HydrophobicContact CD1-CD2 3.9Å; L395-L397 HydrophobicContact CD2-CD1 4.43Å; L395-L397 HydrophobicContact CD2-CD2 4.01Å; L395-L397 HydrophobicContact CD2-CG 4.28Å; L395-L397 HydrophobicContact CG-CD2 3.84Å; L395-L397 HydrophobicContact CG-CG 4.1Å; L395-L424 HydrophobicContact CD2-CD1 3.24Å; L395-Y439 HydrophobicContact CB-CD1 3.96Å; L395-Y439 HydrophobicContact CB-CE1 3.56Å; L395-Y439 HydrophobicContact CD2-CD1 4.44Å; L395-Y439 HydrophobicContact CD2-CD2 4.32Å; L395-Y439 HydrophobicContact CD2-CE1 4.28Å; L395-Y439 HydrophobicContact CD2-CE2 4.15Å; L395-Y439 HydrophobicContact CD2-CG 4.49Å; L395-Y494 PolarHBondContact N-O 2.84Å; L395-Y494 PolarHBondContact O-N 3.12Å
396	V	98.8	Very high	90.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.5	174.1	179.8	0	0	0	0	109.3	L258 F314 D339 L340 V491 L492 F493	L258-V396 HydrophobicContact CD2-CG1 3.67Å; L258-V396 HydrophobicContact CD2-CG2 4.5Å; F314-V396 HydrophobicContact CD1-CG2 3.98Å; F314-V396 HydrophobicContact CE1-CG2 4.13Å; D339-V396 CarbonylContact C-O 2.95Å; D339-V396 WeakPolarHBondContact CA-O 3.45Å; D339-V396 HydrophobicContact CB-CB 3.97Å; D339-V396 HydrophobicContact CB-CG1 3.88Å; L340-V396 PolarHBondContact N-O 3.02Å; V396-V491 HydrophobicContact CG1-CG1 3.49Å; V396-V491 VanDerWaalsContact CG1-CG1 3.49Å; V396-L492 WeakPolarHBondContact CA-O 3.37Å; V396-F493 HydrophobicContact CG2-CD1 3.93Å; V396-F493 HydrophobicContact CG2-CE1 3.99Å
397	L	98.7	Very high	88.7	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	113.6	175.3	-56.2	-179	0	0	0	109.8	L340 L342 I352 L395 L422 L492 Y494	L340-L397 HydrophobicContact CB-CD2 3.85Å; L340-L397 HydrophobicContact CD1-CD2 4.09Å; L340-L397 HydrophobicContact CG-CD2 4.35Å; L342-L397 HydrophobicContact CD1-CB 4.26Å; L342-L397 HydrophobicContact CD1-CD1 4.41Å; L342-L397 HydrophobicContact CD1-CD2 4.3Å; I352-L397 HydrophobicContact CD1-CD1 3.96Å; I352-L397 HydrophobicContact CG1-CD1 3.76Å; L395-L397 HydrophobicContact CD1-CD2 3.9Å; L395-L397 HydrophobicContact CD2-CD1 4.43Å; L395-L397 HydrophobicContact CD2-CD2 4.01Å; L395-L397 HydrophobicContact CD2-CG 4.28Å; L395-L397 HydrophobicContact CG-CD2 3.84Å; L395-L397 HydrophobicContact CG-CG 4.1Å; L397-L422 HydrophobicContact CD1-CD2 4.3Å; L397-L492 HydrophobicContact CB-CB 4.3Å; L397-L492 PolarHBondContact N-O 3.41Å; L397-L492 PolarHBondContact O-N 2.95Å; L397-Y494 HydrophobicContact CD1-CD2 4.1Å; L397-Y494 HydrophobicContact CD1-CE2 4.13Å; L397-Y494 HydrophobicContact CG-CD2 4.48Å
398	H	98.3	Very high	87.5	Confident	14 Å²	14	50.2 Å²	50.2	7%	0.065	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.4	175.3	157.1	-139.7	0	0	0	109.8	Q255 L340 S341 L342 Y490 V491	Q255-H398 HydrophobicContact CB-CB 4.42Å; Q255-H398 HydrophobicContact CG-CB 3.83Å; L340-H398 PolarHBondContact O-N 2.91Å; S341-H398 CarbonylContact C-O 3.58Å; S341-H398 WeakPolarHBondContact CA-O 3.43Å; S341-H398 WeakPolarHBondContact CB-ND1 3.06Å; S341-H398 PolarHBondContact OG-ND1 3.39Å; L342-H398 PolarHBondContact N-O 2.91Å; H398-Y490 AromaticContact CD2-CE2 3.38Å; H398-Y490 WeakPolarHBondContact CD2-CE2 3.32Å; H398-Y490 AromaticContact CD2-CZ 3.61Å; H398-Y490 AromaticContact NE2-CE2 3.26Å; H398-Y490 VanDerWaalsContact NE2-CE2 3.26Å; H398-Y490 WeakPolarHBondContact NE2-CE2 3.39Å; H398-Y490 AromaticContact NE2-CZ 3.42Å; H398-Y490 PolarHBondContact NE2-OH 3.31Å; H398-V491 HydrophobicContact CB-CG2 4.46Å
399	L	97.6	Very high	86.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	115.1	174.5	-65	176.1	0	0	0	109.3	I344 I352 R401 V415 Y490	I344-L399 HydrophobicContact CD1-CB 4.26Å; I352-L399 HydrophobicContact CD1-CD2 3.81Å; L399-R401 HydrophobicContact CB-CG 4.32Å; L399-R401 PolarHBondContact O-N 2.82Å; L399-V415 HydrophobicContact CD1-CB 3.88Å; L399-V415 HydrophobicContact CD1-CG1 4.04Å; L399-V415 HydrophobicContact CD1-CG2 4.05Å; L399-V415 HydrophobicContact CD2-CG1 4.15Å; L399-Y490 PolarHBondContact N-O 3.08Å; L399-Y490 WeakPolarHBondContact O-CD2 3.13Å; L399-Y490 WeakPolarHBondContact O-CE2 3.48Å
400	K	94.8	Very high	86.2	Confident	56 Å²	56	54.3 Å²	54.3	24%	0.243	26%	0.26	C	S	.	.			trans	-67.7	70.8	178.4	-73	171.4	163.9	147	0	111.8	C97 S341 L342	C97-K400 PolarHBondContact SG-NZ 3.38Å; S341-K400 WeakPolarHBondContact O-CD 3.36Å; S341-K400 WeakPolarHBondContact O-CE 3.47Å; S341-K400 PolarHBondContact O-NZ 3.44Å; L342-K400 VanDerWaalsContact O-CB 3.25Å; L342-K400 WeakPolarHBondContact O-CB 3.35Å; L342-K400 WeakPolarHBondContact O-CG 3.47Å; L342-K400 PolarHBondContact O-N 3.2Å
401	R	93.2	Very high	85.5	Confident	1 Å²	1	54 Å²	54	0%	0.004	26%	0.26	C	S	.	.			trans	-73.2	-27.8	178.9	-68.7	-173.3	-179.4	-75.1	1.1	112.3	I344 L399 K410 M411 V413 A487 G489 Y490	I344-R401 HydrophobicContact CD1-CG 3.72Å; L399-R401 HydrophobicContact CB-CG 4.32Å; L399-R401 PolarHBondContact O-N 2.82Å; R401-K410 HydrophobicContact CB-CG 4.3Å; R401-K410 CarbonylContact O-C 3.57Å; R401-K410 WeakPolarHBondContact O-CA 3.44Å; R401-M411 PolarHBondContact NH1-O 2.79Å; R401-M411 PolarHBondContact O-N 3.32Å; R401-V413 PolarHBondContact NH1-O 3Å; R401-A487 PolarHBondContact NH1-O 2.93Å; R401-A487 PolarHBondContact NH2-O 2.61Å; R401-G489 VanDerWaalsContact CZ-O 3.28Å; R401-G489 PolarHBondContact NE-O 3.31Å; R401-G489 PolarHBondContact NH2-O 2.76Å; R401-Y490 HydrophobicContact CB-CD2 4.34Å; R401-Y490 HydrophobicContact CG-CD2 4.26Å
402	F	85.4	Confident	85.1	Confident	54 Å²	54	58.4 Å²	58.4	24%	0.237	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	125.4	-179.8	-54.5	-57.6	0	0	0	111.6	K410 H447 V451 Y490	F402-K410 HydrophobicContact CD1-CB 4.17Å; F402-K410 HydrophobicContact CD1-CG 4.25Å; F402-K410 HydrophobicContact CE1-CB 4.21Å; F402-K410 HydrophobicContact CE1-CD 4.14Å; F402-K410 HydrophobicContact CE1-CG 4.01Å; F402-H447 AromaticContact CE1-CE1 3.97Å; F402-H447 AromaticContact CE1-ND1 3.96Å; F402-H447 AromaticContact CZ-CE1 3.6Å; F402-H447 AromaticContact CZ-ND1 3.48Å; F402-H447 WeakPolarHBondContact CZ-ND1 3.42Å; F402-V451 HydrophobicContact CD1-CB 4.34Å; F402-V451 HydrophobicContact CD1-CG1 3.81Å; F402-V451 HydrophobicContact CD1-CG2 3.96Å; F402-V451 HydrophobicContact CE1-CB 4.5Å; F402-V451 HydrophobicContact CE1-CG1 4.2Å; F402-V451 HydrophobicContact CE1-CG2 4.34Å; F402-V451 HydrophobicContact CG-CG1 4.41Å; F402-Y490 HydrophobicContact CD2-CE2 4.2Å; F402-Y490 HydrophobicContact CE2-CE1 4.38Å; F402-Y490 AromaticContact CE2-CE2 3.91Å; F402-Y490 HydrophobicContact CE2-CE2 3.91Å; F402-Y490 AromaticContact CE2-CZ 3.7Å
403	S	74.2	Confident	84.8	Confident	50 Å²	50	60.4 Å²	60.4	35%	0.35	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	154.7	174.9	75.3	0	0	0	0	111.2	R408 S409	S403-R408 WeakPolarHBondContact O-CA 3.39Å; S403-S409 PolarHBondContact N-O 3.21Å; S403-S409 PolarHBondContact O-N 3.39Å; S403-S409 VanDerWaalsContact O-N 3.13Å; S403-S409 PolarHBondContact OG-OG 3.46Å; S403-S409 VanDerWaalsContact OG-OG 3.09Å
404	G	55.9	Low	84.6	Confident	59 Å²	59	62.2 Å²	62.2	61%	0.608	31%	0.313	S	S	*	.			trans	-143.5	29.5	-167.4	0	0	0	0	0	115.8	R406	G404-R406 PolarHBondContact O-N 3.39Å
405	E	58.5	Low	84.5	Confident	153 Å²	153	62.1 Å²	62.1	72%	0.715	31%	0.312	S	S	*	.	S	Bend	trans	-67.1	-33.3	-174.8	-67.8	-178.2	164.5	0	0	114
406	R	60.7	Low	84.4	Confident	232 Å²	232	66.3 Å²	66.3	88%	0.875	34%	0.335	S	S	*	.	S	Bend	trans	-148.4	-45.8	172.2	-65.7	-169.7	-176.4	-175.1	0.6	112.9	G404	G404-R406 PolarHBondContact O-N 3.39Å
407	F	63	Low	84.4	Confident	177 Å²	177	66.3 Å²	66.3	78%	0.776	34%	0.335	S	S	*	.	S	Bend	trans	-119.5	135.5	171.9	-60.6	-77.6	0	0	0	108.7	S409	F407-S409 PolarHBondContact O-N 2.89Å
408	R	71.5	Confident	84.3	Confident	140 Å²	140	68.5 Å²	68.5	53%	0.528	35%	0.349	S	S	.	.			trans	-68.3	120.2	175.9	-70.1	-173.3	179.4	-173.8	1.8	109.5	S403 V451	S403-R408 WeakPolarHBondContact O-CA 3.39Å; R408-V451 HydrophobicContact CB-CB 4.3Å; R408-V451 HydrophobicContact CB-CG1 4.09Å; R408-V451 HydrophobicContact CB-CG2 4.38Å
409	S	81.6	Confident	84.3	Confident	57 Å²	57	68.7 Å²	68.7	40%	0.399	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	151.5	179.4	62.6	0	0	0	0	111.6	S403 F407 V451	S403-S409 PolarHBondContact N-O 3.21Å; S403-S409 PolarHBondContact O-N 3.39Å; S403-S409 VanDerWaalsContact O-N 3.13Å; S403-S409 PolarHBondContact OG-OG 3.46Å; S403-S409 VanDerWaalsContact OG-OG 3.09Å; F407-S409 PolarHBondContact O-N 2.89Å; S409-V451 VanDerWaalsContact C-CG2 3.49Å
410	K	87	Confident	84.3	Confident	42 Å²	42	75.4 Å²	75.4	18%	0.183	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.6	176.5	-178.4	-176.6	173.6	-179	0	109.2	R401 F402 S412 H447 S448 G449 V451	R401-K410 HydrophobicContact CB-CG 4.3Å; R401-K410 CarbonylContact O-C 3.57Å; R401-K410 WeakPolarHBondContact O-CA 3.44Å; F402-K410 HydrophobicContact CD1-CB 4.17Å; F402-K410 HydrophobicContact CD1-CG 4.25Å; F402-K410 HydrophobicContact CE1-CB 4.21Å; F402-K410 HydrophobicContact CE1-CD 4.14Å; F402-K410 HydrophobicContact CE1-CG 4.01Å; K410-S412 PolarHBondContact O-N 2.82Å; K410-H447 WeakPolarHBondContact CE-O 3.5Å; K410-H447 PolarHBondContact NZ-ND1 3.29Å; K410-H447 PolarHBondContact NZ-O 3.26Å; K410-S448 PolarHBondContact NZ-O 2.68Å; K410-G449 WeakPolarHBondContact CD-O 3.38Å; K410-G449 PolarHBondContact NZ-O 3.28Å; K410-V451 HydrophobicContact CB-CG2 4.01Å
411	M	85	Confident	84.4	Confident	43 Å²	43	78 Å²	78	21%	0.212	39%	0.393	C	S	.	.			trans	-75.2	106.5	173.3	-63.5	-178.6	66.9	0	0	109.8	I344 R401 V413	I344-M411 HydrophobicContact CB-CE 3.73Å; I344-M411 HydrophobicContact CB-SD 4.14Å; I344-M411 HydrophobicContact CD1-CB 4.28Å; I344-M411 HydrophobicContact CD1-SD 4.45Å; I344-M411 HydrophobicContact CG2-CE 3.7Å; R401-M411 PolarHBondContact NH1-O 2.79Å; R401-M411 PolarHBondContact O-N 3.32Å; M411-V413 HydrophobicContact CE-CG2 4.18Å; M411-V413 PolarHBondContact O-N 2.87Å
412	S	88.3	Confident	84.6	Confident	96 Å²	96	78.1 Å²	78.1	67%	0.671	39%	0.393	S	S	*	.			trans	-81.3	10	172.1	51.6	0	0	0	0	113.7	K410 M414	K410-S412 PolarHBondContact O-N 2.82Å; S412-M414 PolarHBondContact O-N 2.88Å
413	V	91.8	Very high	85.2	Confident	43 Å²	43	78.6 Å²	78.6	26%	0.261	40%	0.398	S	S	.	.			trans	-58.7	128.3	178.3	178.6	0	0	0	0	109.7	I344 V350 R401 M411 V415	I344-V413 HydrophobicContact CG2-CB 4.46Å; I344-V413 HydrophobicContact CG2-CG1 4.43Å; V350-V413 HydrophobicContact CB-CG1 4.42Å; V350-V413 HydrophobicContact CG2-CG1 3.93Å; R401-V413 PolarHBondContact NH1-O 3Å; M411-V413 HydrophobicContact CE-CG2 4.18Å; M411-V413 PolarHBondContact O-N 2.87Å; V413-V415 PolarHBondContact O-N 2.8Å
414	M	94.2	Very high	86.3	Confident	86 Å²	86	76.2 Å²	76.2	42%	0.424	38%	0.381	S	S	.	.			trans	-61.7	124.5	171.6	-171.3	67.3	-169.2	0	0	109	S412 V485 S486 A487	S412-M414 PolarHBondContact O-N 2.88Å; M414-V485 HydrophobicContact CE-CG1 3.78Å; M414-S486 VanDerWaalsContact SD-C 3.52Å; M414-A487 HydrophobicContact SD-CB 4.04Å; M414-A487 PolarHBondContact SD-N 3.19Å
415	V	97.1	Very high	88.3	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	117.6	170.8	178.2	0	0	0	0	106.1	I344 V350 L399 V413 Y417	I344-V415 HydrophobicContact CD1-CG2 4.42Å; I344-V415 HydrophobicContact CG2-CG2 4.22Å; V350-V415 HydrophobicContact CB-CG2 4.45Å; V350-V415 HydrophobicContact CG1-CG1 4.31Å; V350-V415 HydrophobicContact CG1-CG2 4.04Å; V350-V415 CarbonylContact O-C 3.6Å; V350-V415 WeakPolarHBondContact O-CA 3.48Å; L399-V415 HydrophobicContact CD1-CB 3.88Å; L399-V415 HydrophobicContact CD1-CG1 4.04Å; L399-V415 HydrophobicContact CD1-CG2 4.05Å; L399-V415 HydrophobicContact CD2-CG1 4.15Å; V413-V415 PolarHBondContact O-N 2.8Å; V415-Y417 WeakPolarHBondContact O-CD1 3.19Å; V415-Y417 WeakPolarHBondContact O-CE1 3.46Å
416	D	97.5	Very high	90.1	Very high	89 Å²	89	72.4 Å²	72.4	48%	0.476	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.7	173.1	177.4	53.4	0	0	0	110.1	V350 S351 I352	V350-D416 PolarHBondContact O-N 2.99Å; S351-D416 CarbonylContact C-O 3.59Å; S351-D416 WeakPolarHBondContact CA-O 3.14Å; I352-D416 PolarHBondContact N-O 2.85Å
417	Y	97.9	Very high	91.9	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.332	C	S	.	.			trans	-137.2	115.8	179.2	48	-98.9	0	0	0	109.8	V415 L441 V444 V484 V485 S486 L492	V415-Y417 WeakPolarHBondContact O-CD1 3.19Å; V415-Y417 WeakPolarHBondContact O-CE1 3.46Å; Y417-L441 HydrophobicContact CD2-CD2 3.85Å; Y417-L441 HydrophobicContact CE2-CD2 3.92Å; Y417-V444 HydrophobicContact CE2-CG2 3.99Å; Y417-V484 PolarHBondContact OH-O 2.92Å; Y417-V485 HydrophobicContact CD1-CG1 4.3Å; Y417-V485 HydrophobicContact CD2-CG1 4.23Å; Y417-V485 HydrophobicContact CD2-CG2 4.23Å; Y417-V485 HydrophobicContact CE1-CG1 4.2Å; Y417-V485 HydrophobicContact CE2-CB 4.22Å; Y417-V485 HydrophobicContact CE2-CG1 4.13Å; Y417-V485 HydrophobicContact CE2-CG2 4.09Å; Y417-V485 HydrophobicContact CG-CG1 4.31Å; Y417-V485 WeakPolarHBondContact OH-CA 3.33Å; Y417-S486 PolarHBondContact OH-N 2.9Å; Y417-L492 HydrophobicContact CD1-CD1 3.81Å; Y417-L492 HydrophobicContact CD1-CD2 3.98Å; Y417-L492 HydrophobicContact CD2-CD1 4.23Å; Y417-L492 HydrophobicContact CD2-CD2 4.06Å; Y417-L492 HydrophobicContact CE1-CD2 3.85Å; Y417-L492 HydrophobicContact CE2-CD2 3.93Å; Y417-L492 HydrophobicContact CG-CD1 3.66Å; Y417-L492 HydrophobicContact CG-CD2 4.1Å
418	P	97.7	Very high	93.6	Very high	46 Å²	46	55.3 Å²	55.3	30%	0.299	31%	0.306	S	S	.	.			trans	-73.6	139.5	-172.4	29.3	-34	0	0	0	110.9	L422 Y494	P418-L422 HydrophobicContact CG-CB 4.07Å; P418-L422 HydrophobicContact CG-CD1 3.98Å; P418-Y494 WeakPolarHBondContact O-CE1 3.16Å; P418-Y494 PolarHBondContact O-OH 3.3Å
419	L	98.1	Very high	94.7	Very high	19 Å²	19	49.1 Å²	49.1	10%	0.099	28%	0.284	C	S	.	.	S	Bend	trans	-77.5	-23	-175.2	-55.3	-178.9	0	0	0	112.9	L441 W468 E481 V484 V485	L419-L441 HydrophobicContact CD2-CB 4.34Å; L419-L441 HydrophobicContact CD2-CD2 3.4Å; L419-L441 PolarHBondContact O-N 3.24Å; L419-W468 HydrophobicContact CD2-CZ2 4.42Å; L419-E481 HydrophobicContact CD1-CG 3.2Å; L419-V484 HydrophobicContact CD1-CB 4.39Å; L419-V484 HydrophobicContact CD2-CB 4.12Å; L419-V484 HydrophobicContact CD2-CG1 3.73Å; L419-V485 HydrophobicContact CD1-CG2 4.32Å; L419-V485 HydrophobicContact CD2-CG2 3.66Å; L419-V485 HydrophobicContact CG-CG2 4Å
420	R	97.1	Very high	95.3	Very high	140 Å²	140	52.7 Å²	52.7	53%	0.528	31%	0.309	S	S	.	.	S	Bend	trans	-136.2	156.3	177.3	-59.2	-178.7	-172.8	77.6	4.9	109.1	L422 E481	R420-L422 VanDerWaalsContact C-N 3.31Å; R420-L422 PolarHBondContact O-N 2.85Å; R420-E481 IonicContact CZ-OE1 3.64Å; R420-E481 IonicContact CZ-OE2 3.38Å; R420-E481 VanDerWaalsContact NH1-CD 3.32Å; R420-E481 IonicContact NH1-OE1 2.69Å; R420-E481 PolarHBondContact NH1-OE1 3.17Å; R420-E481 IonicContact NH1-OE2 3.21Å; R420-E481 PolarHBondContact NH1-OE2 3.48Å; R420-E481 IonicContact NH2-OE1 3.7Å; R420-E481 IonicContact NH2-OE2 2.69Å; R420-E481 PolarHBondContact NH2-OE2 3.29Å
421	N	95.9	Very high	95.7	Very high	112 Å²	112	51.6 Å²	51.6	60%	0.599	31%	0.306	S	S	*	.			trans	55.6	37.9	171	-51.8	-6.8	0	0	0	114.5	D423 Y439	N421-D423 PolarHBondContact O-N 2.8Å; N421-Y439 PolarHBondContact N-O 2.88Å
422	L	98.1	Very high	96.2	Very high	3 Å²	3	50 Å²	50	2%	0.016	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	94.6	166.7	176.6	59.2	0	0	0	108.4	I352 L353 L397 P418 R420 L424 Q438 Y439 Y494	I352-L422 HydrophobicContact CG2-CD1 3.75Å; I352-L422 HydrophobicContact CG2-CD2 4.35Å; L353-L422 HydrophobicContact CD2-CD1 3.85Å; L353-L422 HydrophobicContact CG-CD1 4.4Å; L397-L422 HydrophobicContact CD1-CD2 4.3Å; P418-L422 HydrophobicContact CG-CB 4.07Å; P418-L422 HydrophobicContact CG-CD1 3.98Å; R420-L422 VanDerWaalsContact C-N 3.31Å; R420-L422 PolarHBondContact O-N 2.85Å; L422-L424 HydrophobicContact CD1-CD2 3.8Å; L422-L424 HydrophobicContact CD2-CD1 4.42Å; L422-L424 HydrophobicContact CD2-CD2 4.21Å; L422-L424 HydrophobicContact CD2-CG 4.49Å; L422-L424 HydrophobicContact CG-CD1 4.48Å; L422-L424 HydrophobicContact CG-CD2 3.78Å; L422-L424 HydrophobicContact CG-CG 4.05Å; L422-Q438 CarbonylContact O-C 3.53Å; L422-Q438 WeakPolarHBondContact O-CA 3.39Å; L422-Y439 PolarHBondContact N-O 3.18Å; L422-Y439 PolarHBondContact O-N 3.08Å; L422-Y494 HydrophobicContact CB-CD1 4.38Å; L422-Y494 HydrophobicContact CB-CE1 3.86Å; L422-Y494 HydrophobicContact CD2-CD1 4.04Å; L422-Y494 HydrophobicContact CD2-CD2 4.11Å; L422-Y494 HydrophobicContact CD2-CE1 3.62Å; L422-Y494 HydrophobicContact CD2-CE2 3.68Å; L422-Y494 HydrophobicContact CD2-CG 4.28Å; L422-Y494 VanDerWaalsContact CD2-CZ 3.44Å; L422-Y494 HydrophobicContact CG-CE1 4.39Å
423	D	97.9	Very high	96.5	Very high	63 Å²	63	50.6 Å²	50.6	34%	0.337	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122	176.9	-157.8	-26.4	0	0	0	111.2	N421 I425 Q438	N421-D423 PolarHBondContact O-N 2.8Å; D423-I425 WeakPolarHBondContact OD1-CB 3.4Å; D423-I425 VanDerWaalsContact OD1-CG2 3.24Å; D423-I425 WeakPolarHBondContact OD1-CG2 3.49Å; D423-I425 PolarHBondContact OD1-N 3.06Å; D423-Q438 HydrophobicContact CB-CG 3.78Å; D423-Q438 VanDerWaalsContact CG-CG 3.43Å; D423-Q438 WeakPolarHBondContact OD2-CG 3.41Å; D423-Q438 PolarHBondContact OD2-NE2 3.49Å
424	L	98.2	Very high	96.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.297	C	S	.	.			trans	-113.2	6.2	-179.4	-56.9	-177.1	0	0	0	113.2	L353 L356 F391 L395 L422 G426 F427 A437 Y439	L353-L424 HydrophobicContact CD2-CD2 4.12Å; L356-L424 HydrophobicContact CD1-CD2 3.52Å; F391-L424 HydrophobicContact CD1-CB 4.36Å; F391-L424 HydrophobicContact CE1-CB 3.68Å; F391-L424 HydrophobicContact CZ-CB 4.48Å; F391-L424 WeakPolarHBondContact CZ-O 3.43Å; L395-L424 HydrophobicContact CD2-CD1 3.24Å; L422-L424 HydrophobicContact CD1-CD2 3.8Å; L422-L424 HydrophobicContact CD2-CD1 4.42Å; L422-L424 HydrophobicContact CD2-CD2 4.21Å; L422-L424 HydrophobicContact CD2-CG 4.49Å; L422-L424 HydrophobicContact CG-CD1 4.48Å; L422-L424 HydrophobicContact CG-CD2 3.78Å; L422-L424 HydrophobicContact CG-CG 4.05Å; L424-G426 PolarHBondContact O-N 3.41Å; L424-G426 VanDerWaalsContact O-N 3.16Å; L424-F427 HydrophobicContact CB-CD2 4.19Å; L424-F427 HydrophobicContact CD2-CD2 3.99Å; L424-F427 HydrophobicContact CD2-CE2 3.94Å; L424-F427 PolarHBondContact O-N 2.79Å; L424-A437 HydrophobicContact CB-CB 4.24Å; L424-A437 PolarHBondContact N-O 2.86Å; L424-Y439 HydrophobicContact CD1-CD2 3.93Å; L424-Y439 HydrophobicContact CD1-CE2 4.03Å; L424-Y439 HydrophobicContact CG-CD2 4.27Å
425	I	97.2	Very high	96.6	Very high	58 Å²	58	55 Å²	55	30%	0.297	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-62.8	-26.6	-174.6	-160.3	61.4	0	0	0	112.5	D423 F427 A428 A437	D423-I425 WeakPolarHBondContact OD1-CB 3.4Å; D423-I425 VanDerWaalsContact OD1-CG2 3.24Å; D423-I425 WeakPolarHBondContact OD1-CG2 3.49Å; D423-I425 PolarHBondContact OD1-N 3.06Å; I425-F427 PolarHBondContact O-N 2.85Å; I425-A428 HydrophobicContact CD1-CB 4.26Å; I425-A428 WeakPolarHBondContact O-CB 3.35Å; I425-A428 PolarHBondContact O-N 2.85Å; I425-A437 HydrophobicContact CB-CB 4.32Å; I425-A437 HydrophobicContact CD1-CB 4.17Å
426	G	97.2	Very high	96.5	Very high	75 Å²	75	57.6 Å²	57.6	77%	0.773	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-65.7	-13.9	173.4	0	0	0	0	0	115.2	L424	L424-G426 PolarHBondContact O-N 3.41Å; L424-G426 VanDerWaalsContact O-N 3.16Å
427	F	97.8	Very high	96.5	Very high	22 Å²	22	53.4 Å²	53.4	10%	0.096	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-94.1	1.4	172.9	-58.9	-73.2	0	0	0	113.1	L353 L356 N357 T360 I388 L424 I425	L353-F427 HydrophobicContact CD2-CE2 3.85Å; L353-F427 HydrophobicContact CD2-CZ 4.27Å; L356-F427 HydrophobicContact CB-CD1 4.44Å; L356-F427 HydrophobicContact CB-CE1 3.78Å; L356-F427 HydrophobicContact CB-CE2 3.88Å; L356-F427 HydrophobicContact CB-CZ 3.46Å; L356-F427 VanDerWaalsContact CB-CZ 3.46Å; L356-F427 HydrophobicContact CD1-CE2 3.97Å; L356-F427 HydrophobicContact CD1-CZ 4.37Å; L356-F427 HydrophobicContact CG-CE2 4.48Å; N357-F427 WeakPolarHBondContact OD1-CE1 3.42Å; T360-F427 HydrophobicContact CG2-CD1 3.88Å; I388-F427 HydrophobicContact CD1-CB 4.15Å; I388-F427 PolarHBondContact N-O 3.39Å; L424-F427 HydrophobicContact CB-CD2 4.19Å; L424-F427 HydrophobicContact CD2-CD2 3.99Å; L424-F427 HydrophobicContact CD2-CE2 3.94Å; L424-F427 PolarHBondContact O-N 2.79Å; I425-F427 PolarHBondContact O-N 2.85Å
428	A	97.7	Very high	96.5	Very high	28 Å²	28	56.7 Å²	56.7	23%	0.231	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-72.3	153.9	-178.3	0	0	0	0	0	112.8	I388 F391 I425 C432	I388-A428 CarbonylContact O-C 3.56Å; I388-A428 VanDerWaalsContact O-CA 3.29Å; I388-A428 WeakPolarHBondContact O-CA 3.38Å; F391-A428 HydrophobicContact CE2-CB 3.92Å; F391-A428 HydrophobicContact CZ-CB 4.04Å; I425-A428 HydrophobicContact CD1-CB 4.26Å; I425-A428 WeakPolarHBondContact O-CB 3.35Å; I425-A428 PolarHBondContact O-N 2.85Å; A428-C432 HydrophobicContact CB-CB 3.9Å
429	T	96.2	Very high	96.6	Very high	10 Å²	10	54.5 Å²	54.5	6%	0.061	31%	0.31	C	S	.	.			trans	-69.4	154.7	162.4	53.8	0	0	0	0	111.1	M319 S387 I388 Q389 S431 C432	M319-T429 HydrophobicContact CB-CG2 3.57Å; M319-T429 HydrophobicContact CE-CG2 3.88Å; M319-T429 HydrophobicContact CG-CG2 4.23Å; M319-T429 HydrophobicContact SD-CG2 3.63Å; S387-T429 VanDerWaalsContact OG-CG2 3.29Å; S387-T429 WeakPolarHBondContact OG-CG2 3.18Å; I388-T429 PolarHBondContact O-N 3.04Å; I388-T429 PolarHBondContact O-OG1 2.93Å; Q389-T429 HydrophobicContact CB-CG2 4.16Å; Q389-T429 PolarHBondContact OE1-OG1 2.96Å; Q389-T429 VanDerWaalsContact OE1-OG1 3.06Å; T429-S431 WeakPolarHBondContact CB-OG 3.46Å; T429-S431 PolarHBondContact O-N 3.27Å; T429-S431 PolarHBondContact OG1-OG 2.81Å; T429-C432 WeakPolarHBondContact O-CB 3.27Å; T429-C432 PolarHBondContact O-N 3.28Å; T429-C432 WeakPolarHBondContact OG1-CB 3.39Å; T429-C432 PolarHBondContact OG1-N 3.11Å; T429-C432 VanDerWaalsContact OG1-N 3.08Å
430	S	94	Very high	96.6	Very high	131 Å²	131	58.1 Å²	58.1	92%	0.916	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.9	168.1	48.6	0	0	0	0	112.8	C432	S430-C432 VanDerWaalsContact C-N 3.31Å
431	S	94.4	Very high	96.6	Very high	19 Å²	19	51.6 Å²	51.6	13%	0.133	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	3.1	172.7	43.6	0	0	0	0	114.2	Q389 T429	Q389-S431 PolarHBondContact NE2-O 3.2Å; Q389-S431 PolarHBondContact OE1-OG 2.87Å; T429-S431 WeakPolarHBondContact CB-OG 3.46Å; T429-S431 PolarHBondContact O-N 3.27Å; T429-S431 PolarHBondContact OG1-OG 2.81Å
432	C	96	Very high	96.8	Very high	9 Å²	9	46.8 Å²	46.8	6%	0.061	27%	0.274	C	S	.	.			trans	-70.7	129.9	177	-176	0	0	0	0	111.4	A428 T429 S430	A428-C432 HydrophobicContact CB-CB 3.9Å; T429-C432 WeakPolarHBondContact O-CB 3.27Å; T429-C432 PolarHBondContact O-N 3.28Å; T429-C432 WeakPolarHBondContact OG1-CB 3.39Å; T429-C432 PolarHBondContact OG1-N 3.11Å; T429-C432 VanDerWaalsContact OG1-N 3.08Å; S430-C432 VanDerWaalsContact C-N 3.31Å
433	T	94.1	Very high	96.8	Very high	109 Å²	109	46.6 Å²	46.6	67%	0.669	27%	0.273	S	S	*	.			trans	-80	-30.7	178.8	52.8	0	0	0	0	112.6	K435	T433-K435 WeakPolarHBondContact O-CE 3.49Å
434	Q	95.1	Very high	96.9	Very high	46 Å²	46	43.6 Å²	43.6	22%	0.215	26%	0.257	C	S	.	.			trans	-66.6	135.9	179	-62.6	170.5	-103.5	0	0	110.6
435	K	93.2	Very high	96.9	Very high	177 Å²	177	43.6 Å²	43.6	77%	0.77	26%	0.257	S	S	*	.	S	Bend	trans	-104	-8.8	-177.6	-56	-53.7	177.1	-165.7	0	114.3	T433	T433-K435 WeakPolarHBondContact O-CE 3.49Å
436	S	95.4	Very high	96.9	Very high	54 Å²	54	41.2 Å²	41.2	38%	0.378	24%	0.244	S	C	.	.			trans	-141.3	150	169.4	176.8	0	0	0	0	108.4
437	A	97.2	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.			trans	-142.3	49.6	174	0	0	0	0	0	109.4	F391 L424 I425 Y439	F391-A437 HydrophobicContact CD1-CB 3.87Å; F391-A437 HydrophobicContact CD2-CB 3.91Å; F391-A437 HydrophobicContact CE1-CB 3.76Å; F391-A437 HydrophobicContact CE2-CB 3.81Å; F391-A437 HydrophobicContact CG-CB 3.96Å; F391-A437 HydrophobicContact CZ-CB 3.73Å; L424-A437 HydrophobicContact CB-CB 4.24Å; L424-A437 PolarHBondContact N-O 2.86Å; I425-A437 HydrophobicContact CB-CB 4.32Å; I425-A437 HydrophobicContact CD1-CB 4.17Å; A437-Y439 HydrophobicContact CB-CE2 4.29Å; A437-Y439 WeakPolarHBondContact O-CD2 3.4Å; A437-Y439 WeakPolarHBondContact O-CE2 3.45Å
438	Q	98.1	Very high	96.8	Very high	69 Å²	69	38.6 Å²	38.6	32%	0.322	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	132.4	178.7	-69.8	-177.7	-0.1	0	0	111.6	L422 D423 I497	L422-Q438 CarbonylContact O-C 3.53Å; L422-Q438 WeakPolarHBondContact O-CA 3.39Å; D423-Q438 HydrophobicContact CB-CG 3.78Å; D423-Q438 VanDerWaalsContact CG-CG 3.43Å; D423-Q438 WeakPolarHBondContact OD2-CG 3.41Å; D423-Q438 PolarHBondContact OD2-NE2 3.49Å; Q438-I497 HydrophobicContact CB-CD1 4.35Å; Q438-I497 WeakPolarHBondContact O-CB 3.47Å; Q438-I497 PolarHBondContact O-N 3.39Å
439	Y	98.7	Very high	96.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	150.7	-175.6	-70.1	-97.4	0	0	0	113.2	F391 P392 L395 N421 L422 L424 A437 T495 L496	F391-Y439 WeakPolarHBondContact CB-OH 3.41Å; F391-Y439 HydrophobicContact CD1-CE2 4.45Å; P392-Y439 PolarHBondContact O-OH 3.43Å; L395-Y439 HydrophobicContact CB-CD1 3.96Å; L395-Y439 HydrophobicContact CB-CE1 3.56Å; L395-Y439 HydrophobicContact CD2-CD1 4.44Å; L395-Y439 HydrophobicContact CD2-CD2 4.32Å; L395-Y439 HydrophobicContact CD2-CE1 4.28Å; L395-Y439 HydrophobicContact CD2-CE2 4.15Å; L395-Y439 HydrophobicContact CD2-CG 4.49Å; N421-Y439 PolarHBondContact N-O 2.88Å; L422-Y439 PolarHBondContact N-O 3.18Å; L422-Y439 PolarHBondContact O-N 3.08Å; L424-Y439 HydrophobicContact CD1-CD2 3.93Å; L424-Y439 HydrophobicContact CD1-CE2 4.03Å; L424-Y439 HydrophobicContact CG-CD2 4.27Å; A437-Y439 HydrophobicContact CB-CE2 4.29Å; A437-Y439 WeakPolarHBondContact O-CD2 3.4Å; A437-Y439 WeakPolarHBondContact O-CE2 3.45Å; Y439-T495 WeakPolarHBondContact CA-O 3.32Å; Y439-L496 HydrophobicContact CD1-CB 4.24Å; Y439-L496 VanDerWaalsContact CD1-N 3.3Å; Y439-L496 HydrophobicContact CD2-CD1 4.45Å; Y439-L496 HydrophobicContact CE1-CB 3.75Å; Y439-L496 HydrophobicContact CE1-CD1 4.15Å; Y439-L496 HydrophobicContact CE2-CD1 3.88Å
440	K	98.3	Very high	96.1	Very high	96 Å²	96	41.5 Å²	41.5	42%	0.417	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	139.3	163	64.1	175.8	-176.1	172.3	0	110.4	Y494 T495 I497	K440-Y494 VanDerWaalsContact C-CD1 3.41Å; K440-Y494 CarbonylContact O-C 3.56Å; K440-Y494 WeakPolarHBondContact O-CA 3.46Å; K440-Y494 WeakPolarHBondContact O-CD1 3.33Å; K440-T495 HydrophobicContact CD-CG2 4.16Å; K440-T495 VanDerWaalsContact CE-CG2 3.46Å; K440-T495 HydrophobicContact CG-CG2 3.57Å; K440-T495 PolarHBondContact N-O 3Å; K440-T495 PolarHBondContact O-N 2.97Å; K440-I497 HydrophobicContact CB-CD1 4.35Å; K440-I497 HydrophobicContact CB-CG1 4.34Å; K440-I497 HydrophobicContact CG-CG1 4.35Å
441	L	98.8	Very high	95.4	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	141.1	173.8	-167.6	74.8	0	0	0	108.4	Y417 L419 V444 W468 V484 L492 F493 Y494	Y417-L441 HydrophobicContact CD2-CD2 3.85Å; Y417-L441 HydrophobicContact CE2-CD2 3.92Å; L419-L441 HydrophobicContact CD2-CB 4.34Å; L419-L441 HydrophobicContact CD2-CD2 3.4Å; L419-L441 PolarHBondContact O-N 3.24Å; L441-V444 HydrophobicContact CD1-CG2 4.37Å; L441-V444 HydrophobicContact CD2-CG2 3.59Å; L441-V444 HydrophobicContact CG-CG2 4.29Å; L441-W468 HydrophobicContact CB-CH2 4.41Å; L441-W468 HydrophobicContact CD2-CH2 4.1Å; L441-W468 HydrophobicContact CG-CH2 4.13Å; L441-V484 HydrophobicContact CD2-CG1 4.07Å; L441-L492 HydrophobicContact CD1-CB 3.91Å; L441-F493 WeakPolarHBondContact CD1-O 3.21Å; L441-Y494 HydrophobicContact CB-CD1 4.03Å; L441-Y494 HydrophobicContact CB-CE1 3.64Å; L441-Y494 HydrophobicContact CD1-CD1 4.17Å; L441-Y494 HydrophobicContact CD1-CD2 3.69Å; L441-Y494 HydrophobicContact CD1-CE1 3.93Å; L441-Y494 HydrophobicContact CD1-CE2 3.42Å; L441-Y494 VanDerWaalsContact CD1-CE2 3.42Å; L441-Y494 HydrophobicContact CD1-CG 4.05Å; L441-Y494 HydrophobicContact CG-CE1 4.38Å
442	Y	98.7	Very high	94.7	Very high	11 Å²	11	44.2 Å²	44.2	4%	0.043	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	-16.2	173.4	72.9	-88.8	0	0	0	113.7	N182 T183 I394 C460 L461 F493 T495	N182-Y442 HydrophobicContact CB-CD2 4.32Å; N182-Y442 WeakPolarHBondContact O-CD2 3.12Å; N182-Y442 WeakPolarHBondContact O-CE2 3.39Å; T183-Y442 WeakPolarHBondContact CG2-OH 3.42Å; T183-Y442 WeakPolarHBondContact OG1-CE2 3.36Å; T183-Y442 PolarHBondContact OG1-OH 2.72Å; I394-Y442 HydrophobicContact CD1-CE1 4.3Å; I394-Y442 HydrophobicContact CG2-CE1 4.2Å; I394-Y442 WeakPolarHBondContact CG2-OH 3.49Å; Y442-C460 CarbonylContact O-C 3.59Å; Y442-C460 WeakPolarHBondContact O-CA 3.49Å; Y442-L461 PolarHBondContact O-N 3.01Å; Y442-F493 HydrophobicContact CD1-CB 4.45Å; Y442-F493 VanDerWaalsContact CD1-O 3.28Å; Y442-F493 WeakPolarHBondContact CD1-O 3.49Å; Y442-F493 HydrophobicContact CE1-CB 3.86Å; Y442-F493 HydrophobicContact CE2-CB 4.1Å; Y442-F493 PolarHBondContact N-O 3.16Å; Y442-T495 HydrophobicContact CD1-CG2 3.93Å
443	A	98.9	Very high	94.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	153.9	169.5	0	0	0	0	0	113.4	C179 S459 C460 F493	C179-A443 HydrophobicContact CB-CB 3.78Å; A443-S459 CarbonylContact C-O 3.57Å; A443-S459 VanDerWaalsContact CA-O 3.27Å; A443-S459 WeakPolarHBondContact CA-O 3.36Å; A443-C460 HydrophobicContact CB-CB 4.23Å; A443-C460 VanDerWaalsContact CB-SG 3.57Å; A443-F493 HydrophobicContact CB-CB 3.96Å; A443-F493 HydrophobicContact CB-CD2 4.26Å; A443-F493 HydrophobicContact CB-CG 4.3Å; A443-F493 PolarHBondContact N-O 3.13Å; A443-F493 WeakPolarHBondContact O-CB 3.28Å; A443-F493 PolarHBondContact O-N 3.43Å
444	V	98.9	Very high	94.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	120.8	174.4	-178.9	0	0	0	0	108.8	Y417 L441 N446 A458 S459 V484 V491 L492	Y417-V444 HydrophobicContact CE2-CG2 3.99Å; L441-V444 HydrophobicContact CD1-CG2 4.37Å; L441-V444 HydrophobicContact CD2-CG2 3.59Å; L441-V444 HydrophobicContact CG-CG2 4.29Å; V444-N446 VanDerWaalsContact CG1-OD1 3.25Å; V444-N446 WeakPolarHBondContact CG1-OD1 3.4Å; V444-N446 PolarHBondContact O-N 3.2Å; V444-A458 CarbonylContact O-C 3.58Å; V444-A458 VanDerWaalsContact O-CA 3.25Å; V444-A458 WeakPolarHBondContact O-CA 3.49Å; V444-S459 PolarHBondContact N-O 3.06Å; V444-S459 PolarHBondContact O-N 3.13Å; V444-V484 HydrophobicContact CG2-CG1 4.13Å; V444-V491 CarbonylContact C-O 3.5Å; V444-V491 WeakPolarHBondContact CA-O 3.25Å; V444-L492 HydrophobicContact CG1-CD2 3.94Å; V444-L492 HydrophobicContact CG2-CD2 4.09Å
445	S	98.7	Very high	94.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	113.5	159.7	-175.5	0	0	0	0	107.5	S175 S254 Y490 V491	S175-S445 WeakPolarHBondContact OG-CB 3.29Å; S175-S445 PolarHBondContact OG-OG 2.95Å; S254-S445 PolarHBondContact OG-OG 2.93Å; S445-Y490 WeakPolarHBondContact O-CB 3.46Å; S445-Y490 PolarHBondContact O-N 3.28Å; S445-V491 PolarHBondContact N-O 3.36Å; S445-V491 PolarHBondContact O-N 3.25Å; S445-V491 VanDerWaalsContact O-N 3.15Å
446	N	98.3	Very high	94.4	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.037	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	149.9	175	-52.3	-66.1	0	0	0	109.6	V444 Y456 T457 S459 E488	V444-N446 VanDerWaalsContact CG1-OD1 3.25Å; V444-N446 WeakPolarHBondContact CG1-OD1 3.4Å; V444-N446 PolarHBondContact O-N 3.2Å; N446-Y456 WeakPolarHBondContact O-CA 3.39Å; N446-Y456 WeakPolarHBondContact O-CD1 3.34Å; N446-T457 WeakPolarHBondContact CB-OG1 3.09Å; N446-T457 PolarHBondContact N-O 3.48Å; N446-T457 PolarHBondContact ND2-OG1 3.13Å; N446-T457 PolarHBondContact O-N 2.8Å; N446-S459 PolarHBondContact ND2-N 2.89Å; N446-S459 PolarHBondContact ND2-OG 2.9Å; N446-E488 CarbonylContact C-O 3.46Å; N446-E488 WeakPolarHBondContact CA-O 3.43Å; N446-E488 HydrophobicContact CB-CB 4.09Å
447	H	97.2	Very high	94.6	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.037	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	118.8	170.9	-176.5	-134.8	0	0	0	111.2	F402 K410 S450 H455 Y456 E488 Y490	F402-H447 AromaticContact CE1-CE1 3.97Å; F402-H447 AromaticContact CE1-ND1 3.96Å; F402-H447 AromaticContact CZ-CE1 3.6Å; F402-H447 AromaticContact CZ-ND1 3.48Å; F402-H447 WeakPolarHBondContact CZ-ND1 3.42Å; K410-H447 WeakPolarHBondContact CE-O 3.5Å; K410-H447 PolarHBondContact NZ-ND1 3.29Å; K410-H447 PolarHBondContact NZ-O 3.26Å; H447-S450 PolarHBondContact CE1-O 3.12Å; H447-S450 VanDerWaalsContact CE1-O 3.24Å; H447-H455 WeakPolarHBondContact CA-O 3.34Å; H447-H455 PolarHBondContact CD2-O 2.9Å; H447-Y456 HydrophobicContact CB-CD1 3.82Å; H447-Y456 HydrophobicContact CB-CE1 3.6Å; H447-Y456 AromaticContact CD2-CD1 3.88Å; H447-Y456 AromaticContact CD2-CD2 3.74Å; H447-Y456 AromaticContact CD2-CE1 3.68Å; H447-Y456 AromaticContact CD2-CE2 3.55Å; H447-Y456 AromaticContact CD2-CG 3.91Å; H447-Y456 AromaticContact CD2-CZ 3.52Å; H447-Y456 AromaticContact CG-CE1 3.67Å; H447-Y456 AromaticContact CG-CZ 3.79Å; H447-Y456 AromaticContact NE2-CE2 3.78Å; H447-Y456 AromaticContact NE2-CZ 3.92Å; H447-E488 PolarHBondContact N-O 2.86Å; H447-Y490 HydrophobicContact CB-CD1 4.45Å; H447-Y490 HydrophobicContact CB-CG 4.43Å
448	S	94.9	Very high	94.6	Very high	34 Å²	34	34.7 Å²	34.7	24%	0.238	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	173.5	170.5	75.4	0	0	0	0	111.4	K410 G454 H455 E488	K410-S448 PolarHBondContact NZ-O 2.68Å; S448-G454 WeakPolarHBondContact O-CA 3.47Å; S448-H455 PolarHBondContact N-O 2.97Å; S448-H455 PolarHBondContact OG-O 3.23Å; S448-E488 WeakPolarHBondContact CA-OE1 3.25Å; S448-E488 WeakPolarHBondContact CB-OE1 3.24Å
449	G	91.9	Very high	94.7	Very high	53 Å²	53	31.7 Å²	31.7	55%	0.546	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	71	-149.8	177.7	0	0	0	0	0	115.7	K410	K410-G449 WeakPolarHBondContact CD-O 3.38Å; K410-G449 PolarHBondContact NZ-O 3.28Å
450	S	86.5	Confident	94.7	Very high	46 Å²	46	31.7 Å²	31.7	32%	0.322	18%	0.178	S	C	.	.			trans	-107.5	-149	-162.4	75.6	0	0	0	0	114.2	H447 Y452 T453	H447-S450 PolarHBondContact CE1-O 3.12Å; H447-S450 VanDerWaalsContact CE1-O 3.24Å; S450-Y452 PolarHBondContact OG-N 3.45Å; S450-T453 WeakPolarHBondContact CA-O 3.27Å; S450-T453 WeakPolarHBondContact CB-O 3.4Å; S450-T453 PolarHBondContact N-O 2.88Å; S450-T453 PolarHBondContact OG-N 3.33Å; S450-T453 VanDerWaalsContact OG-N 3.1Å; S450-T453 PolarHBondContact OG-O 2.71Å
451	V	79.3	Confident	94.7	Very high	40 Å²	40	28.4 Å²	28.4	24%	0.242	17%	0.165	C	C	.	.	S	Bend	trans	-102.7	-16.7	171.3	-159.6	0	0	0	0	112.6	F402 R408 S409 K410	F402-V451 HydrophobicContact CD1-CB 4.34Å; F402-V451 HydrophobicContact CD1-CG1 3.81Å; F402-V451 HydrophobicContact CD1-CG2 3.96Å; F402-V451 HydrophobicContact CE1-CB 4.5Å; F402-V451 HydrophobicContact CE1-CG1 4.2Å; F402-V451 HydrophobicContact CE1-CG2 4.34Å; F402-V451 HydrophobicContact CG-CG1 4.41Å; R408-V451 HydrophobicContact CB-CB 4.3Å; R408-V451 HydrophobicContact CB-CG1 4.09Å; R408-V451 HydrophobicContact CB-CG2 4.38Å; S409-V451 VanDerWaalsContact C-CG2 3.49Å; K410-V451 HydrophobicContact CB-CG2 4.01Å
452	Y	79.6	Confident	94.6	Very high	167 Å²	167	28.4 Å²	28.4	66%	0.655	17%	0.165	S	C	*	.	S	Bend	trans	-111	-23	-177.5	-56.3	-68.2	0	0	0	113.4	S450	S450-Y452 PolarHBondContact OG-N 3.45Å
453	T	86.3	Confident	94.4	Very high	93 Å²	93	30.3 Å²	30.3	57%	0.571	18%	0.178	S	C	*	.	S	Bend	trans	-146.6	128.9	172	179.6	0	0	0	0	108.6	S450	S450-T453 WeakPolarHBondContact CA-O 3.27Å; S450-T453 WeakPolarHBondContact CB-O 3.4Å; S450-T453 PolarHBondContact N-O 2.88Å; S450-T453 PolarHBondContact OG-N 3.33Å; S450-T453 VanDerWaalsContact OG-N 3.1Å; S450-T453 PolarHBondContact OG-O 2.71Å
454	G	92.1	Very high	94.2	Very high	13 Å²	13	32.3 Å²	32.3	13%	0.134	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	-176.1	177.2	0	0	0	0	0	110.9	Q251 S448	Q251-G454 PolarHBondContact NE2-O 2.98Å; Q251-G454 PolarHBondContact OE1-O 2.57Å; S448-G454 WeakPolarHBondContact O-CA 3.47Å
455	H	96.8	Very high	93.9	Very high	54 Å²	54	35.3 Å²	35.3	25%	0.25	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.2	177.7	-173	56.9	0	0	0	110.5	C171 H447 S448 N472 D473	C171-H455 WeakPolarHBondContact CB-CE1 3.28Å; C171-H455 WeakPolarHBondContact CB-ND1 3.42Å; C171-H455 PolarHBondContact SG-ND1 3.41Å; H447-H455 WeakPolarHBondContact CA-O 3.34Å; H447-H455 PolarHBondContact CD2-O 2.9Å; S448-H455 PolarHBondContact N-O 2.97Å; S448-H455 PolarHBondContact OG-O 3.23Å; H455-N472 PolarHBondContact NE2-OD1 3.29Å; H455-D473 IonicContact CE1-OD2 2.79Å; H455-D473 PolarHBondContact CE1-OD2 2.99Å
456	Y	98.1	Very high	93.7	Very high	12 Å²	12	37.5 Å²	37.5	5%	0.047	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.7	-178.1	-74.5	-87.1	0	0	0	110.5	C171 F172 Q252 S254 N446 H447 Y490	C171-Y456 WeakPolarHBondContact O-CB 3.39Å; F172-Y456 HydrophobicContact CB-CD2 3.61Å; F172-Y456 HydrophobicContact CB-CE2 3.79Å; F172-Y456 HydrophobicContact CB-CG 4.18Å; Q252-Y456 WeakPolarHBondContact O-CE2 3.44Å; S254-Y456 VanDerWaalsContact CB-CE1 3.46Å; S254-Y456 PolarHBondContact N-OH 3.02Å; S254-Y456 WeakPolarHBondContact OG-CE1 3.26Å; N446-Y456 WeakPolarHBondContact O-CA 3.39Å; N446-Y456 WeakPolarHBondContact O-CD1 3.34Å; H447-Y456 HydrophobicContact CB-CD1 3.82Å; H447-Y456 HydrophobicContact CB-CE1 3.6Å; H447-Y456 AromaticContact CD2-CD1 3.88Å; H447-Y456 AromaticContact CD2-CD2 3.74Å; H447-Y456 AromaticContact CD2-CE1 3.68Å; H447-Y456 AromaticContact CD2-CE2 3.55Å; H447-Y456 AromaticContact CD2-CG 3.91Å; H447-Y456 AromaticContact CD2-CZ 3.52Å; H447-Y456 AromaticContact CG-CE1 3.67Å; H447-Y456 AromaticContact CG-CZ 3.79Å; H447-Y456 AromaticContact NE2-CE2 3.78Å; H447-Y456 AromaticContact NE2-CZ 3.92Å; Y456-Y490 AromaticContact CE1-CD1 3.8Å; Y456-Y490 HydrophobicContact CE1-CD1 3.8Å; Y456-Y490 HydrophobicContact CE1-CE1 4.02Å
457	T	98.6	Very high	93.6	Very high	23 Å²	23	41.5 Å²	41.5	14%	0.141	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	172.6	171	67.7	0	0	0	0	109.2	S175 N446 F471 N472	S175-T457 WeakPolarHBondContact CB-O 3.46Å; S175-T457 PolarHBondContact OG-O 2.78Å; N446-T457 WeakPolarHBondContact CB-OG1 3.09Å; N446-T457 PolarHBondContact N-O 3.48Å; N446-T457 PolarHBondContact ND2-OG1 3.13Å; N446-T457 PolarHBondContact O-N 2.8Å; T457-F471 WeakPolarHBondContact CA-O 3.46Å; T457-F471 WeakPolarHBondContact CB-O 3.47Å; T457-N472 HydrophobicContact CG2-CB 4.06Å
458	A	98.9	Very high	93.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.8	169.8	0	0	0	0	0	111.5	S175 Q178 V444 S470 F471	S175-A458 WeakPolarHBondContact O-CB 3.35Å; Q178-A458 HydrophobicContact CB-CB 3.91Å; V444-A458 CarbonylContact O-C 3.58Å; V444-A458 VanDerWaalsContact O-CA 3.25Å; V444-A458 WeakPolarHBondContact O-CA 3.49Å; A458-S470 WeakPolarHBondContact O-CA 3.41Å; A458-F471 HydrophobicContact CB-CB 4.4Å; A458-F471 PolarHBondContact N-O 2.75Å; A458-F471 PolarHBondContact O-N 3.09Å
459	S	98.8	Very high	93.8	Very high	7 Å²	7	41.1 Å²	41.1	5%	0.049	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	116.3	165.1	-54.3	0	0	0	0	107.4	A443 V444 N446 H469	A443-S459 CarbonylContact C-O 3.57Å; A443-S459 VanDerWaalsContact CA-O 3.27Å; A443-S459 WeakPolarHBondContact CA-O 3.36Å; V444-S459 PolarHBondContact N-O 3.06Å; V444-S459 PolarHBondContact O-N 3.13Å; N446-S459 PolarHBondContact ND2-N 2.89Å; N446-S459 PolarHBondContact ND2-OG 2.9Å; S459-H469 CarbonylContact C-O 3.49Å; S459-H469 WeakPolarHBondContact CA-O 3.46Å
460	C	98.7	Very high	94.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.9	-177.5	-55.7	0	0	0	0	112.3	N182 Y442 A443 W468 H469 F471	N182-C460 HydrophobicContact CB-CB 3.94Å; N182-C460 WeakPolarHBondContact ND2-CB 3.18Å; Y442-C460 CarbonylContact O-C 3.59Å; Y442-C460 WeakPolarHBondContact O-CA 3.49Å; A443-C460 HydrophobicContact CB-CB 4.23Å; A443-C460 VanDerWaalsContact CB-SG 3.57Å; C460-W468 WeakPolarHBondContact O-CA 3.21Å; C460-H469 PolarHBondContact N-O 2.92Å; C460-H469 PolarHBondContact O-N 2.82Å; C460-F471 HydrophobicContact CB-CD2 4.23Å; C460-F471 HydrophobicContact CB-CE2 3.81Å
461	L	98.2	Very high	94.7	Very high	27 Å²	27	37.3 Å²	37.3	14%	0.141	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	116.5	172.9	178.7	69.6	0	0	0	108.3	N182 Y442 P463 G466 W468	N182-L461 PolarHBondContact OD1-O 2.92Å; Y442-L461 PolarHBondContact O-N 3.01Å; L461-P463 WeakPolarHBondContact O-CD 3.48Å; L461-G466 VanDerWaalsContact CD1-C 3.46Å; L461-G466 WeakPolarHBondContact CD1-O 3.45Å; L461-W468 HydrophobicContact CB-CD2 3.95Å; L461-W468 HydrophobicContact CB-CE3 3.96Å; L461-W468 HydrophobicContact CB-CH2 3.92Å; L461-W468 HydrophobicContact CB-CZ2 3.93Å; L461-W468 HydrophobicContact CB-CZ3 3.94Å; L461-W468 HydrophobicContact CD1-CD2 4.21Å; L461-W468 HydrophobicContact CD1-CG 4.22Å; L461-W468 HydrophobicContact CD2-CZ2 4.46Å; L461-W468 VanDerWaalsContact N-CE3 3.35Å
462	N	96.8	Very high	95.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.211	C	C	.	.			trans	-64.2	120.9	176.5	-176.7	-57.5	0	0	0	109.2	G159 Y464 T465 G466 D467	G159-N462 PolarHBondContact O-ND2 2.69Å; G159-N462 VanDerWaalsContact O-ND2 3.15Å; N462-Y464 PolarHBondContact O-N 2.88Å; N462-Y464 PolarHBondContact OD1-N 2.95Å; N462-T465 PolarHBondContact OD1-N 2.63Å; N462-T465 VanDerWaalsContact OD1-N 3.17Å; N462-G466 WeakPolarHBondContact O-CA 3.47Å; N462-G466 PolarHBondContact O-N 3.13Å; N462-D467 PolarHBondContact N-O 3.44Å
463	P	95.2	Very high	96.5	Very high	51 Å²	51	31.2 Å²	31.2	33%	0.331	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-18.3	-173.7	23.9	-35	0	0	0	115.1	A184 W221 L461	A184-P463 HydrophobicContact CB-CB 3.81Å; A184-P463 HydrophobicContact CB-CG 4.14Å; W221-P463 HydrophobicContact CH2-CG 3.91Å; W221-P463 HydrophobicContact CZ2-CG 4.24Å; L461-P463 WeakPolarHBondContact O-CD 3.48Å
464	Y	93.8	Very high	97.1	Very high	43 Å²	43	28.7 Å²	28.7	17%	0.169	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-13.4	-175.4	-53.7	-66.6	0	0	0	114.7	H157 E188 W221 N462	H157-Y464 PolarHBondContact ND1-O 2.92Å; E188-Y464 VanDerWaalsContact CD-OH 3.31Å; E188-Y464 VanDerWaalsContact CG-OH 3.25Å; E188-Y464 WeakPolarHBondContact CG-OH 3.35Å; E188-Y464 PolarHBondContact OE1-OH 2.68Å; W221-Y464 HydrophobicContact CE3-CD2 4.36Å; W221-Y464 HydrophobicContact CE3-CE2 4.23Å; W221-Y464 AromaticContact CH2-CD2 3.8Å; W221-Y464 HydrophobicContact CH2-CD2 3.8Å; W221-Y464 AromaticContact CH2-CE2 3.93Å; W221-Y464 HydrophobicContact CH2-CE2 3.93Å; W221-Y464 AromaticContact CZ3-CD2 3.49Å; W221-Y464 HydrophobicContact CZ3-CD2 3.49Å; W221-Y464 VanDerWaalsContact CZ3-CD2 3.49Å; W221-Y464 AromaticContact CZ3-CE2 3.69Å; W221-Y464 HydrophobicContact CZ3-CE2 3.69Å; N462-Y464 PolarHBondContact O-N 2.88Å; N462-Y464 PolarHBondContact OD1-N 2.95Å
465	T	93.5	Very high	97.4	Very high	62 Å²	62	34 Å²	34	38%	0.38	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-33.3	169.9	80.8	0	0	0	0	112.5	H157 N462 D467	H157-T465 WeakPolarHBondContact O-CG2 3.37Å; N462-T465 PolarHBondContact OD1-N 2.63Å; N462-T465 VanDerWaalsContact OD1-N 3.17Å; T465-D467 WeakPolarHBondContact CB-OD2 3.27Å; T465-D467 PolarHBondContact OG1-N 3.45Å; T465-D467 PolarHBondContact OG1-OD2 3.22Å
466	G	94.7	Very high	97.4	Very high	47 Å²	47	33.2 Å²	33.2	49%	0.485	19%	0.191	S	C	.	.			trans	87.6	10	-174.4	0	0	0	0	0	114.8	L461 N462	L461-G466 VanDerWaalsContact CD1-C 3.46Å; L461-G466 WeakPolarHBondContact CD1-O 3.45Å; N462-G466 WeakPolarHBondContact O-CA 3.47Å; N462-G466 PolarHBondContact O-N 3.13Å
467	D	96.2	Very high	97.3	Very high	90 Å²	90	37.2 Å²	37.2	48%	0.481	21%	0.21	S	C	.	.			trans	-98.4	140.1	-178	-56.3	-70.3	0	0	0	112.9	N462 T465 H469	N462-D467 PolarHBondContact N-O 3.44Å; T465-D467 WeakPolarHBondContact CB-OD2 3.27Å; T465-D467 PolarHBondContact OG1-N 3.45Å; T465-D467 PolarHBondContact OG1-OD2 3.22Å; D467-H469 PolarHBondContact O-ND1 2.88Å
468	W	98.3	Very high	97.2	Very high	13 Å²	13	39.5 Å²	39.5	5%	0.049	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.2	174	-73.6	99.6	0	0	0	111.9	L419 L441 C460 L461 I479 V484	L419-W468 HydrophobicContact CD2-CZ2 4.42Å; L441-W468 HydrophobicContact CB-CH2 4.41Å; L441-W468 HydrophobicContact CD2-CH2 4.1Å; L441-W468 HydrophobicContact CG-CH2 4.13Å; C460-W468 WeakPolarHBondContact O-CA 3.21Å; L461-W468 HydrophobicContact CB-CD2 3.95Å; L461-W468 HydrophobicContact CB-CE3 3.96Å; L461-W468 HydrophobicContact CB-CH2 3.92Å; L461-W468 HydrophobicContact CB-CZ2 3.93Å; L461-W468 HydrophobicContact CB-CZ3 3.94Å; L461-W468 HydrophobicContact CD1-CD2 4.21Å; L461-W468 HydrophobicContact CD1-CG 4.22Å; L461-W468 HydrophobicContact CD2-CZ2 4.46Å; L461-W468 VanDerWaalsContact N-CE3 3.35Å; W468-I479 HydrophobicContact CB-CD1 4.37Å; W468-I479 HydrophobicContact CB-CG1 3.81Å; W468-I479 PolarHBondContact O-N 2.65Å; W468-V484 HydrophobicContact CB-CG2 4.15Å; W468-V484 HydrophobicContact CD2-CB 4.5Å; W468-V484 HydrophobicContact CD2-CG1 4.26Å; W468-V484 HydrophobicContact CD2-CG2 3.47Å; W468-V484 VanDerWaalsContact CD2-CG2 3.47Å; W468-V484 HydrophobicContact CE3-CB 4.49Å; W468-V484 HydrophobicContact CE3-CG1 3.91Å; W468-V484 HydrophobicContact CE3-CG2 3.67Å; W468-V484 HydrophobicContact CG-CG2 3.69Å; W468-V484 HydrophobicContact CH2-CG1 3.74Å; W468-V484 HydrophobicContact CZ2-CG1 4.06Å; W468-V484 HydrophobicContact CZ2-CG2 4.49Å; W468-V484 HydrophobicContact CZ3-CG1 3.64Å; W468-V484 HydrophobicContact CZ3-CG2 4.28Å
469	H	98.2	Very high	97.2	Very high	21 Å²	21	41.2 Å²	41.2	10%	0.097	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.8	178.6	-70.6	81.8	0	0	0	110.8	L161 S459 C460 D467 F471 V476 H477	L161-H469 HydrophobicContact CD2-CB 4.45Å; S459-H469 CarbonylContact C-O 3.49Å; S459-H469 WeakPolarHBondContact CA-O 3.46Å; C460-H469 PolarHBondContact N-O 2.92Å; C460-H469 PolarHBondContact O-N 2.82Å; D467-H469 PolarHBondContact O-ND1 2.88Å; H469-F471 HydrophobicContact CB-CD2 4.32Å; H469-F471 HydrophobicContact CB-CE2 3.56Å; H469-F471 HydrophobicContact CB-CZ 3.98Å; H469-V476 HydrophobicContact CB-CG1 4.3Å; H469-H477 CarbonylContact C-O 3.57Å; H469-H477 WeakPolarHBondContact CA-O 3.4Å
470	S	98.5	Very high	97.1	Very high	15 Å²	15	44.1 Å²	44.1	11%	0.105	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.3	172.3	175.6	0	0	0	0	109.6	A458 V476 H477	A458-S470 WeakPolarHBondContact O-CA 3.41Å; S470-V476 WeakPolarHBondContact O-CA 3.27Å; S470-H477 VanDerWaalsContact CB-CE1 3.42Å; S470-H477 WeakPolarHBondContact CB-CE1 3.32Å; S470-H477 WeakPolarHBondContact CB-NE2 3.47Å; S470-H477 PolarHBondContact N-O 2.69Å; S470-H477 PolarHBondContact O-N 3.21Å; S470-H477 PolarHBondContact O-ND1 2.69Å; S470-H477 PolarHBondContact OG-CE1 3.43Å; S470-H477 VanDerWaalsContact OG-CE1 3.28Å
471	F	98.5	Very high	97	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	108.3	179.8	-61	-101	0	0	0	108.5	G160 L161 Q178 T457 A458 C460 H469 V476	G160-F471 WeakPolarHBondContact O-CE1 3.28Å; G160-F471 WeakPolarHBondContact O-CZ 3.33Å; L161-F471 HydrophobicContact CD2-CZ 4.41Å; Q178-F471 HydrophobicContact CB-CB 4.17Å; Q178-F471 HydrophobicContact CB-CD1 4.42Å; Q178-F471 HydrophobicContact CB-CG 4.13Å; Q178-F471 HydrophobicContact CG-CB 3.8Å; Q178-F471 HydrophobicContact CG-CD1 3.91Å; Q178-F471 HydrophobicContact CG-CG 3.93Å; Q178-F471 VanDerWaalsContact NE2-CD1 3.33Å; T457-F471 WeakPolarHBondContact CA-O 3.46Å; T457-F471 WeakPolarHBondContact CB-O 3.47Å; A458-F471 HydrophobicContact CB-CB 4.4Å; A458-F471 PolarHBondContact N-O 2.75Å; A458-F471 PolarHBondContact O-N 3.09Å; C460-F471 HydrophobicContact CB-CD2 4.23Å; C460-F471 HydrophobicContact CB-CE2 3.81Å; H469-F471 HydrophobicContact CB-CD2 4.32Å; H469-F471 HydrophobicContact CB-CE2 3.56Å; H469-F471 HydrophobicContact CB-CZ 3.98Å; F471-V476 HydrophobicContact CD1-CB 4.29Å; F471-V476 HydrophobicContact CD1-CG1 3.84Å; F471-V476 HydrophobicContact CD1-CG2 3.53Å; F471-V476 HydrophobicContact CE1-CB 4.38Å; F471-V476 HydrophobicContact CE1-CG1 3.6Å; F471-V476 HydrophobicContact CE1-CG2 3.81Å; F471-V476 HydrophobicContact CE2-CG1 4.5Å; F471-V476 HydrophobicContact CG-CG1 4.41Å; F471-V476 HydrophobicContact CG-CG2 4.45Å; F471-V476 HydrophobicContact CZ-CG1 3.96Å
472	N	98.4	Very high	96.9	Very high	61 Å²	61	53.3 Å²	53.3	33%	0.326	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	84.9	-179.1	-177	14.7	0	0	0	108.8	H455 T457 S474 H475	H455-N472 PolarHBondContact NE2-OD1 3.29Å; T457-N472 HydrophobicContact CG2-CB 4.06Å; N472-S474 PolarHBondContact O-N 3.4Å; N472-S474 VanDerWaalsContact O-N 3.14Å; N472-H475 PolarHBondContact N-O 3.26Å; N472-H475 PolarHBondContact O-N 3.32Å
473	D	98.4	Very high	96.8	Very high	19 Å²	19	56.3 Å²	56.3	10%	0.102	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	-114.2	-167	-69.3	-38.8	0	0	0	111.8	G163 L164 N166 C171 N174 H455 H475	G163-D473 CarbonylContact C-O 3.49Å; G163-D473 WeakPolarHBondContact CA-O 3.32Å; L164-D473 PolarHBondContact N-O 3.34Å; L164-D473 CarbonylContact O-C 3.56Å; L164-D473 WeakPolarHBondContact O-CA 2.97Å; L164-D473 WeakPolarHBondContact O-CB 3.34Å; N166-D473 HydrophobicContact CB-CB 4.24Å; N166-D473 WeakPolarHBondContact CB-OD2 3.25Å; N166-D473 PolarHBondContact ND2-OD2 3.28Å; C171-D473 WeakPolarHBondContact CA-OD1 3.43Å; N174-D473 WeakPolarHBondContact CB-OD1 3.48Å; N174-D473 PolarHBondContact ND2-OD1 2.93Å; H455-D473 IonicContact CE1-OD2 2.79Å; H455-D473 PolarHBondContact CE1-OD2 2.99Å; D473-H475 PolarHBondContact O-N 2.91Å
474	S	98.1	Very high	97	Very high	39 Å²	39	53.9 Å²	53.9	27%	0.273	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-11	-178.9	49	0	0	0	0	114.4	L164 N472	L164-S474 PolarHBondContact O-N 2.79Å; N472-S474 PolarHBondContact O-N 3.4Å; N472-S474 VanDerWaalsContact O-N 3.14Å
475	H	97.9	Very high	97.1	Very high	126 Å²	126	53.6 Å²	53.6	58%	0.583	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	120	-174.8	-61.1	-76.2	0	0	0	112	N472 D473	N472-H475 PolarHBondContact N-O 3.26Å; N472-H475 PolarHBondContact O-N 3.32Å; D473-H475 PolarHBondContact O-N 2.91Å
476	V	97.7	Very high	97.2	Very high	37 Å²	37	51.9 Å²	51.9	22%	0.224	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136.3	172.1	-170.1	0	0	0	0	109	L161 H469 S470 F471	L161-V476 HydrophobicContact CD2-CG1 4.48Å; H469-V476 HydrophobicContact CB-CG1 4.3Å; S470-V476 WeakPolarHBondContact O-CA 3.27Å; F471-V476 HydrophobicContact CD1-CB 4.29Å; F471-V476 HydrophobicContact CD1-CG1 3.84Å; F471-V476 HydrophobicContact CD1-CG2 3.53Å; F471-V476 HydrophobicContact CE1-CB 4.38Å; F471-V476 HydrophobicContact CE1-CG1 3.6Å; F471-V476 HydrophobicContact CE1-CG2 3.81Å; F471-V476 HydrophobicContact CE2-CG1 4.5Å; F471-V476 HydrophobicContact CG-CG1 4.41Å; F471-V476 HydrophobicContact CG-CG2 4.45Å; F471-V476 HydrophobicContact CZ-CG1 3.96Å
477	H	96.1	Very high	97.2	Very high	95 Å²	95	51.5 Å²	51.5	44%	0.44	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	147.9	172.9	56.7	-73.4	0	0	0	111.1	H469 S470	H469-H477 CarbonylContact C-O 3.57Å; H469-H477 WeakPolarHBondContact CA-O 3.4Å; S470-H477 VanDerWaalsContact CB-CE1 3.42Å; S470-H477 WeakPolarHBondContact CB-CE1 3.32Å; S470-H477 WeakPolarHBondContact CB-NE2 3.47Å; S470-H477 PolarHBondContact N-O 2.69Å; S470-H477 PolarHBondContact O-N 3.21Å; S470-H477 PolarHBondContact O-ND1 2.69Å; S470-H477 PolarHBondContact OG-CE1 3.43Å; S470-H477 VanDerWaalsContact OG-CE1 3.28Å
478	A	97.4	Very high	97.2	Very high	72 Å²	72	51.1 Å²	51.1	60%	0.595	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	145.8	172.5	0	0	0	0	0	111
479	I	98	Very high	97.2	Very high	36 Å²	36	50.5 Å²	50.5	19%	0.185	29%	0.291	C	S	.	.			trans	-132	153.5	176.4	57.6	169.6	0	0	0	110.9	W468 V484	W468-I479 HydrophobicContact CB-CD1 4.37Å; W468-I479 HydrophobicContact CB-CG1 3.81Å; W468-I479 PolarHBondContact O-N 2.65Å; I479-V484 HydrophobicContact CD1-CG2 4.06Å
480	S	97.4	Very high	97.2	Very high	68 Å²	68	49.5 Å²	49.5	48%	0.476	29%	0.287	S	S	.	.			trans	-71.6	147.6	172.5	64.2	0	0	0	0	111	N482 S483	S480-N482 PolarHBondContact O-N 3.04Å; S480-S483 VanDerWaalsContact O-CB 3.29Å; S480-S483 WeakPolarHBondContact O-CB 3.36Å; S480-S483 PolarHBondContact O-N 2.97Å; S480-S483 PolarHBondContact O-OG 3Å; S480-S483 PolarHBondContact OG-OG 3.41Å
481	E	96.3	Very high	97.2	Very high	68 Å²	68	48.8 Å²	48.8	32%	0.318	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-54.2	-37.1	177.3	-175.3	168.7	123.8	0	0	112.5	L419 R420 S483 V484	L419-E481 HydrophobicContact CD1-CG 3.2Å; R420-E481 IonicContact CZ-OE1 3.64Å; R420-E481 IonicContact CZ-OE2 3.38Å; R420-E481 VanDerWaalsContact NH1-CD 3.32Å; R420-E481 IonicContact NH1-OE1 2.69Å; R420-E481 PolarHBondContact NH1-OE1 3.17Å; R420-E481 IonicContact NH1-OE2 3.21Å; R420-E481 PolarHBondContact NH1-OE2 3.48Å; R420-E481 IonicContact NH2-OE1 3.7Å; R420-E481 IonicContact NH2-OE2 2.69Å; R420-E481 PolarHBondContact NH2-OE2 3.29Å; E481-S483 PolarHBondContact O-N 3.45Å; E481-S483 VanDerWaalsContact O-N 3.08Å; E481-V484 WeakPolarHBondContact O-CB 3.34Å; E481-V484 WeakPolarHBondContact O-CG2 3.35Å; E481-V484 PolarHBondContact O-N 3.17Å; E481-V484 VanDerWaalsContact O-N 3.11Å
482	N	95.5	Very high	97.2	Very high	151 Å²	151	48.6 Å²	48.6	81%	0.807	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-61	-16.1	175.8	-63	-6.4	0	0	0	114.1	S480	S480-N482 PolarHBondContact O-N 3.04Å
483	S	95.7	Very high	97.2	Very high	65 Å²	65	45.7 Å²	45.7	46%	0.455	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-91.1	-7.1	179.5	-52.2	0	0	0	0	113.4	S480 E481	S480-S483 VanDerWaalsContact O-CB 3.29Å; S480-S483 WeakPolarHBondContact O-CB 3.36Å; S480-S483 PolarHBondContact O-N 2.97Å; S480-S483 PolarHBondContact O-OG 3Å; S480-S483 PolarHBondContact OG-OG 3.41Å; E481-S483 PolarHBondContact O-N 3.45Å; E481-S483 VanDerWaalsContact O-N 3.08Å
484	V	97.9	Very high	97.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-80.7	-30.7	-173.8	-178.6	0	0	0	0	112.3	Y417 L419 L441 V444 W468 I479 E481	Y417-V484 PolarHBondContact OH-O 2.92Å; L419-V484 HydrophobicContact CD1-CB 4.39Å; L419-V484 HydrophobicContact CD2-CB 4.12Å; L419-V484 HydrophobicContact CD2-CG1 3.73Å; L441-V484 HydrophobicContact CD2-CG1 4.07Å; V444-V484 HydrophobicContact CG2-CG1 4.13Å; W468-V484 HydrophobicContact CB-CG2 4.15Å; W468-V484 HydrophobicContact CD2-CB 4.5Å; W468-V484 HydrophobicContact CD2-CG1 4.26Å; W468-V484 HydrophobicContact CD2-CG2 3.47Å; W468-V484 VanDerWaalsContact CD2-CG2 3.47Å; W468-V484 HydrophobicContact CE3-CB 4.49Å; W468-V484 HydrophobicContact CE3-CG1 3.91Å; W468-V484 HydrophobicContact CE3-CG2 3.67Å; W468-V484 HydrophobicContact CG-CG2 3.69Å; W468-V484 HydrophobicContact CH2-CG1 3.74Å; W468-V484 HydrophobicContact CZ2-CG1 4.06Å; W468-V484 HydrophobicContact CZ2-CG2 4.49Å; W468-V484 HydrophobicContact CZ3-CG1 3.64Å; W468-V484 HydrophobicContact CZ3-CG2 4.28Å; I479-V484 HydrophobicContact CD1-CG2 4.06Å; E481-V484 WeakPolarHBondContact O-CB 3.34Å; E481-V484 WeakPolarHBondContact O-CG2 3.35Å; E481-V484 PolarHBondContact O-N 3.17Å; E481-V484 VanDerWaalsContact O-N 3.11Å
485	V	97.1	Very high	97.3	Very high	36 Å²	36	44.1 Å²	44.1	22%	0.218	26%	0.255	C	S	.	.	S	Bend	trans	-91.8	109.2	178.5	-168.1	0	0	0	0	108.7	M414 Y417 L419	M414-V485 HydrophobicContact CE-CG1 3.78Å; Y417-V485 HydrophobicContact CD1-CG1 4.3Å; Y417-V485 HydrophobicContact CD2-CG1 4.23Å; Y417-V485 HydrophobicContact CD2-CG2 4.23Å; Y417-V485 HydrophobicContact CE1-CG1 4.2Å; Y417-V485 HydrophobicContact CE2-CB 4.22Å; Y417-V485 HydrophobicContact CE2-CG1 4.13Å; Y417-V485 HydrophobicContact CE2-CG2 4.09Å; Y417-V485 HydrophobicContact CG-CG1 4.31Å; Y417-V485 WeakPolarHBondContact OH-CA 3.33Å; L419-V485 HydrophobicContact CD1-CG2 4.32Å; L419-V485 HydrophobicContact CD2-CG2 3.66Å; L419-V485 HydrophobicContact CG-CG2 4Å
486	S	95.3	Very high	97.3	Very high	27 Å²	27	40 Å²	40	19%	0.189	24%	0.237	C	C	.	.			trans	-143.2	163.6	-172.7	84.4	0	0	0	0	113.3	M414 Y417 E488 G489	M414-S486 VanDerWaalsContact SD-C 3.52Å; Y417-S486 PolarHBondContact OH-N 2.9Å; S486-E488 PolarHBondContact O-N 3.22Å; S486-E488 PolarHBondContact OG-N 2.93Å; S486-E488 VanDerWaalsContact OG-N 3.14Å; S486-G489 PolarHBondContact O-N 3.01Å; S486-G489 PolarHBondContact OG-N 3.15Å
487	A	95	Very high	97.1	Very high	39 Å²	39	41.1 Å²	41.1	32%	0.322	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-12.8	173	0	0	0	0	0	113.2	R401 M414	R401-A487 PolarHBondContact NH1-O 2.93Å; R401-A487 PolarHBondContact NH2-O 2.61Å; M414-A487 HydrophobicContact SD-CB 4.04Å; M414-A487 PolarHBondContact SD-N 3.19Å
488	E	96.2	Very high	96.4	Very high	82 Å²	82	49.1 Å²	49.1	38%	0.383	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-20.1	178.4	-54.9	-156.6	140.3	0	0	112.9	N446 H447 S448 S486 Y490	N446-E488 CarbonylContact C-O 3.46Å; N446-E488 WeakPolarHBondContact CA-O 3.43Å; N446-E488 HydrophobicContact CB-CB 4.09Å; H447-E488 PolarHBondContact N-O 2.86Å; S448-E488 WeakPolarHBondContact CA-OE1 3.25Å; S448-E488 WeakPolarHBondContact CB-OE1 3.24Å; S486-E488 PolarHBondContact O-N 3.22Å; S486-E488 PolarHBondContact OG-N 2.93Å; S486-E488 VanDerWaalsContact OG-N 3.14Å; E488-Y490 PolarHBondContact O-N 3.17Å
489	G	97.5	Very high	96.3	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	123.3	178.4	0	0	0	0	0	111.3	R401 S486	R401-G489 VanDerWaalsContact CZ-O 3.28Å; R401-G489 PolarHBondContact NE-O 3.31Å; R401-G489 PolarHBondContact NH2-O 2.76Å; S486-G489 PolarHBondContact O-N 3.01Å; S486-G489 PolarHBondContact OG-N 3.15Å
490	Y	97.9	Very high	96.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	-43.6	-164.7	171.7	-118.4	0	0	0	113.2	D253 S254 Q255 H398 L399 R401 F402 S445 H447 Y456 E488	D253-Y490 PolarHBondContact OD1-OH 2.85Å; D253-Y490 VanDerWaalsContact OD1-OH 3.09Å; D253-Y490 PolarHBondContact OD2-OH 3.27Å; D253-Y490 VanDerWaalsContact OD2-OH 3.06Å; S254-Y490 WeakPolarHBondContact OG-CD1 3.38Å; S254-Y490 WeakPolarHBondContact OG-CE1 3.27Å; Q255-Y490 HydrophobicContact CB-CE1 4.48Å; H398-Y490 AromaticContact CD2-CE2 3.38Å; H398-Y490 WeakPolarHBondContact CD2-CE2 3.32Å; H398-Y490 AromaticContact CD2-CZ 3.61Å; H398-Y490 AromaticContact NE2-CE2 3.26Å; H398-Y490 VanDerWaalsContact NE2-CE2 3.26Å; H398-Y490 WeakPolarHBondContact NE2-CE2 3.39Å; H398-Y490 AromaticContact NE2-CZ 3.42Å; H398-Y490 PolarHBondContact NE2-OH 3.31Å; L399-Y490 PolarHBondContact N-O 3.08Å; L399-Y490 WeakPolarHBondContact O-CD2 3.13Å; L399-Y490 WeakPolarHBondContact O-CE2 3.48Å; R401-Y490 HydrophobicContact CB-CD2 4.34Å; R401-Y490 HydrophobicContact CG-CD2 4.26Å; F402-Y490 HydrophobicContact CD2-CE2 4.2Å; F402-Y490 HydrophobicContact CE2-CE1 4.38Å; F402-Y490 AromaticContact CE2-CE2 3.91Å; F402-Y490 HydrophobicContact CE2-CE2 3.91Å; F402-Y490 AromaticContact CE2-CZ 3.7Å; S445-Y490 WeakPolarHBondContact O-CB 3.46Å; S445-Y490 PolarHBondContact O-N 3.28Å; H447-Y490 HydrophobicContact CB-CD1 4.45Å; H447-Y490 HydrophobicContact CB-CG 4.43Å; Y456-Y490 AromaticContact CE1-CD1 3.8Å; Y456-Y490 HydrophobicContact CE1-CD1 3.8Å; Y456-Y490 HydrophobicContact CE1-CE1 4.02Å; E488-Y490 PolarHBondContact O-N 3.17Å
491	V	98.6	Very high	96.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.9	166.4	-169.8	0	0	0	0	108.9	Q255 L258 V396 H398 V444 S445 F493	Q255-V491 HydrophobicContact CB-CG2 3.96Å; L258-V491 HydrophobicContact CD2-CG1 4.07Å; V396-V491 HydrophobicContact CG1-CG1 3.49Å; V396-V491 VanDerWaalsContact CG1-CG1 3.49Å; H398-V491 HydrophobicContact CB-CG2 4.46Å; V444-V491 CarbonylContact C-O 3.5Å; V444-V491 WeakPolarHBondContact CA-O 3.25Å; S445-V491 PolarHBondContact N-O 3.36Å; S445-V491 PolarHBondContact O-N 3.25Å; S445-V491 VanDerWaalsContact O-N 3.15Å; V491-F493 HydrophobicContact CB-CE2 4.15Å; V491-F493 HydrophobicContact CG1-CD2 4.32Å; V491-F493 HydrophobicContact CG1-CE2 3.74Å; V491-F493 HydrophobicContact CG1-CZ 4.16Å
492	L	98.8	Very high	96.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.9	-177.3	-45.2	179.2	0	0	0	109.4	I352 V396 L397 Y417 L441 V444 Y494	I352-L492 HydrophobicContact CD1-CD1 3.81Å; I352-L492 HydrophobicContact CG1-CD1 4.41Å; V396-L492 WeakPolarHBondContact CA-O 3.37Å; L397-L492 HydrophobicContact CB-CB 4.3Å; L397-L492 PolarHBondContact N-O 3.41Å; L397-L492 PolarHBondContact O-N 2.95Å; Y417-L492 HydrophobicContact CD1-CD1 3.81Å; Y417-L492 HydrophobicContact CD1-CD2 3.98Å; Y417-L492 HydrophobicContact CD2-CD1 4.23Å; Y417-L492 HydrophobicContact CD2-CD2 4.06Å; Y417-L492 HydrophobicContact CE1-CD2 3.85Å; Y417-L492 HydrophobicContact CE2-CD2 3.93Å; Y417-L492 HydrophobicContact CG-CD1 3.66Å; Y417-L492 HydrophobicContact CG-CD2 4.1Å; L441-L492 HydrophobicContact CD1-CB 3.91Å; V444-L492 HydrophobicContact CG1-CD2 3.94Å; V444-L492 HydrophobicContact CG2-CD2 4.09Å; L492-Y494 HydrophobicContact CB-CD2 4.17Å; L492-Y494 HydrophobicContact CB-CE2 3.92Å; L492-Y494 HydrophobicContact CD1-CE2 4.19Å
493	F	98.9	Very high	96.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115.2	179.6	-67.1	-106.1	0	0	0	109.9	I176 C179 L180 L258 V396 L441 Y442 A443 V491	I176-F493 HydrophobicContact CD1-CE2 4.42Å; I176-F493 HydrophobicContact CD1-CZ 4.17Å; C179-F493 HydrophobicContact CB-CD1 4.33Å; C179-F493 HydrophobicContact CB-CD2 3.71Å; C179-F493 HydrophobicContact CB-CE1 4.07Å; C179-F493 HydrophobicContact CB-CE2 3.41Å; C179-F493 VanDerWaalsContact CB-CE2 3.41Å; C179-F493 HydrophobicContact CB-CG 4.17Å; C179-F493 HydrophobicContact CB-CZ 3.6Å; L180-F493 HydrophobicContact CD2-CE1 4.18Å; L258-F493 HydrophobicContact CD1-CE1 4.11Å; L258-F493 HydrophobicContact CD1-CZ 4.09Å; L258-F493 HydrophobicContact CD2-CE1 4.01Å; L258-F493 HydrophobicContact CD2-CZ 3.64Å; V396-F493 HydrophobicContact CG2-CD1 3.93Å; V396-F493 HydrophobicContact CG2-CE1 3.99Å; L441-F493 WeakPolarHBondContact CD1-O 3.21Å; Y442-F493 HydrophobicContact CD1-CB 4.45Å; Y442-F493 VanDerWaalsContact CD1-O 3.28Å; Y442-F493 WeakPolarHBondContact CD1-O 3.49Å; Y442-F493 HydrophobicContact CE1-CB 3.86Å; Y442-F493 HydrophobicContact CE2-CB 4.1Å; Y442-F493 PolarHBondContact N-O 3.16Å; A443-F493 HydrophobicContact CB-CB 3.96Å; A443-F493 HydrophobicContact CB-CD2 4.26Å; A443-F493 HydrophobicContact CB-CG 4.3Å; A443-F493 PolarHBondContact N-O 3.13Å; A443-F493 WeakPolarHBondContact O-CB 3.28Å; A443-F493 PolarHBondContact O-N 3.43Å; V491-F493 HydrophobicContact CB-CE2 4.15Å; V491-F493 HydrophobicContact CG1-CD2 4.32Å; V491-F493 HydrophobicContact CG1-CE2 3.74Å; V491-F493 HydrophobicContact CG1-CZ 4.16Å
494	Y	98.8	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	141.2	-176.8	-84.3	-81.3	0	0	0	110.3	I394 L395 L397 P418 L422 K440 L441 L492	I394-Y494 CarbonylContact C-O 3.53Å; I394-Y494 WeakPolarHBondContact CA-O 3.25Å; L395-Y494 PolarHBondContact N-O 2.84Å; L395-Y494 PolarHBondContact O-N 3.12Å; L397-Y494 HydrophobicContact CD1-CD2 4.1Å; L397-Y494 HydrophobicContact CD1-CE2 4.13Å; L397-Y494 HydrophobicContact CG-CD2 4.48Å; P418-Y494 WeakPolarHBondContact O-CE1 3.16Å; P418-Y494 PolarHBondContact O-OH 3.3Å; L422-Y494 HydrophobicContact CB-CD1 4.38Å; L422-Y494 HydrophobicContact CB-CE1 3.86Å; L422-Y494 HydrophobicContact CD2-CD1 4.04Å; L422-Y494 HydrophobicContact CD2-CD2 4.11Å; L422-Y494 HydrophobicContact CD2-CE1 3.62Å; L422-Y494 HydrophobicContact CD2-CE2 3.68Å; L422-Y494 HydrophobicContact CD2-CG 4.28Å; L422-Y494 VanDerWaalsContact CD2-CZ 3.44Å; L422-Y494 HydrophobicContact CG-CE1 4.39Å; K440-Y494 VanDerWaalsContact C-CD1 3.41Å; K440-Y494 CarbonylContact O-C 3.56Å; K440-Y494 WeakPolarHBondContact O-CA 3.46Å; K440-Y494 WeakPolarHBondContact O-CD1 3.33Å; L441-Y494 HydrophobicContact CB-CD1 4.03Å; L441-Y494 HydrophobicContact CB-CE1 3.64Å; L441-Y494 HydrophobicContact CD1-CD1 4.17Å; L441-Y494 HydrophobicContact CD1-CD2 3.69Å; L441-Y494 HydrophobicContact CD1-CE1 3.93Å; L441-Y494 HydrophobicContact CD1-CE2 3.42Å; L441-Y494 VanDerWaalsContact CD1-CE2 3.42Å; L441-Y494 HydrophobicContact CD1-CG 4.05Å; L441-Y494 HydrophobicContact CG-CE1 4.38Å; L492-Y494 HydrophobicContact CB-CD2 4.17Å; L492-Y494 HydrophobicContact CB-CE2 3.92Å; L492-Y494 HydrophobicContact CD1-CE2 4.19Å
495	T	98.5	Very high	96.1	Very high	25 Å²	25	40.8 Å²	40.8	15%	0.153	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138	169.7	-177.7	0	0	0	0	110.2	Y439 K440 Y442	Y439-T495 WeakPolarHBondContact CA-O 3.32Å; K440-T495 HydrophobicContact CD-CG2 4.16Å; K440-T495 VanDerWaalsContact CE-CG2 3.46Å; K440-T495 HydrophobicContact CG-CG2 3.57Å; K440-T495 PolarHBondContact N-O 3Å; K440-T495 PolarHBondContact O-N 2.97Å; Y442-T495 HydrophobicContact CD1-CG2 3.93Å
496	L	97.9	Very high	96	Very high	39 Å²	39	41.2 Å²	41.2	20%	0.204	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	134.3	177.2	-175.2	69.7	0	0	0	109.5	Q393 Y439	Q393-L496 PolarHBondContact O-N 3.29Å; Y439-L496 HydrophobicContact CD1-CB 4.24Å; Y439-L496 VanDerWaalsContact CD1-N 3.3Å; Y439-L496 HydrophobicContact CD2-CD1 4.45Å; Y439-L496 HydrophobicContact CE1-CB 3.75Å; Y439-L496 HydrophobicContact CE1-CD1 4.15Å; Y439-L496 HydrophobicContact CE2-CD1 3.88Å
497	I	94.4	Very high	96.1	Very high	60 Å²	60	42.3 Å²	42.3	31%	0.308	20%	0.197	S	C	.	.			trans	-80.2	132.1	170.8	-57.6	173.3	0	0	0	107.2	Q438 K440	Q438-I497 HydrophobicContact CB-CD1 4.35Å; Q438-I497 WeakPolarHBondContact O-CB 3.47Å; Q438-I497 PolarHBondContact O-N 3.39Å; K440-I497 HydrophobicContact CB-CD1 4.35Å; K440-I497 HydrophobicContact CB-CG1 4.34Å; K440-I497 HydrophobicContact CG-CG1 4.35Å
498	R	80.8	Confident	96.2	Very high	263 Å²	263	42.6 Å²	42.6	99%	0.992	19%	0.186	S	C	*	.			trans	-98.4	0	178.9	-69.2	-176.3	178.2	172.6	-0.5	110.7

Retrieved 498 of 498 residues in 680.9 ms (Link to these results)

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