A0A087XG33_POEFO Loading...

Decapping nuclease

Decapping enzyme for NAD-capped RNAs: specifically hydrolyzes the nicotinamide adenine dinucleotide (NAD) cap from a subset of RNAs by removing the entire NAD moiety from the 5'-end of an NAD-capped RNA.

AlphaFold DB , UniProt , Accession A0A087XG33, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 421 aa.

Structure Viewer

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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	34.6	Very low	33.2	Very low	230 Å²	230	167 Å²	167	100%	1.133	85%	0.85	S	S	*	*				0	110.5	0	-63.4	169.4	179.8	0	0	105.9
2	D	34	Very low	32.6	Very low	144 Å²	144	162.3 Å²	162.3	77%	0.77	84%	0.843	S	S	*	*			cis	-154.8	124.1	-2.9	-80.8	-48.3	0	0	0	105.3
3	R	33.7	Very low	32.4	Very low	228 Å²	228	158.4 Å²	158.4	86%	0.86	84%	0.839	S	S	*	*				37.2	116.3	101	-72.5	-170.6	177.9	-169.5	2.7	115.4
4	H	35.3	Very low	32.2	Very low	196 Å²	196	158.1 Å²	158.1	91%	0.907	83%	0.83	S	S	*	*				-154.8	128.5	118.5	-102.6	-68.2	0	0	0	113.2
5	R	36	Very low	32	Very low	209 Å²	209	160.5 Å²	160.5	79%	0.789	83%	0.834	S	S	*	*			trans	-77.3	159.6	168.3	-88.5	172.3	163.3	178	-3.4	110.8
6	S	30.9	Very low	31.8	Very low	117 Å²	117	159.8 Å²	159.8	82%	0.818	83%	0.825	S	S	*	*				-176.2	108.4	129.1	-72.3	0	0	0	0	108.6
7	R	32.8	Very low	31.5	Very low	227 Å²	227	163.7 Å²	163.7	86%	0.857	83%	0.829	S	S	*	*				66.6	125.7	81.3	-89.7	-169.6	173.5	-175.6	-1.8	115.8
8	S	32.8	Very low	31.4	Very low	108 Å²	108	160.5 Å²	160.5	76%	0.755	82%	0.824	S	S	*	*			trans	-59.6	175.6	179.4	-23	0	0	0	0	115.2
9	P	36.8	Very low	32.2	Very low	132 Å²	132	158.1 Å²	158.1	86%	0.857	82%	0.82	S	S	*	*				-140.5	158.8	113.3	33.2	-16.9	0	0	0	116.1
10	T	29.3	Very low	32	Very low	137 Å²	137	158.6 Å²	158.6	84%	0.84	82%	0.824	S	S	*	*			trans	-95.2	147.1	171.3	41.7	0	0	0	0	112.1
11	S	28.5	Very low	31.9	Very low	109 Å²	109	162.2 Å²	162.2	76%	0.762	83%	0.827	S	S	*	*			trans	-171	126.1	146.6	60.2	0	0	0	0	107.7
12	S	27.1	Very low	31.8	Very low	110 Å²	110	162.9 Å²	162.9	77%	0.769	82%	0.817	S	S	*	*			cis	75.1	100	40.5	79.9	0	0	0	0	116.3
13	S	28.9	Very low	31.4	Very low	112 Å²	112	160 Å²	160	78%	0.783	82%	0.821	S	S	*	*			trans	-168.5	108.2	143.6	50	0	0	0	0	108.1
14	H	29.4	Very low	31.1	Very low	154 Å²	154	152.3 Å²	152.3	71%	0.713	81%	0.812	S	S	*	*				55.5	113	84.7	-75.9	-53.6	0	0	0	115.7
15	H	29.3	Very low	30.9	Very low	194 Å²	194	150 Å²	150	90%	0.898	81%	0.807	S	S	*	*				-154.8	124.9	120.9	-95.5	-53.5	0	0	0	112.5
16	H	29.6	Very low	30.7	Very low	150 Å²	150	145.3 Å²	145.3	69%	0.694	80%	0.798	S	S	*	*			trans	-65.7	154.9	164.6	-80.2	-83.2	0	0	0	111.7
17	Y	26.3	Very low	30.8	Very low	226 Å²	226	148.3 Å²	148.3	89%	0.886	79%	0.791	S	S	*	*				-174.9	127.9	113.9	-105.5	-80.9	0	0	0	111
18	S	29.8	Very low	30.8	Very low	106 Å²	106	144.6 Å²	144.6	74%	0.741	78%	0.777	S	S	*	*			trans	-121	-176.3	153.7	-63	0	0	0	0	105.9
19	P	46.6	Very low	30.7	Very low	115 Å²	115	148.5 Å²	148.5	75%	0.747	78%	0.775	S	S	*	*			cis	-126.6	-178.8	-26.7	24.5	-2.4	0	0	0	110.5
20	N	28	Very low	30.4	Very low	168 Å²	168	148.4 Å²	148.4	90%	0.898	77%	0.767	S	S	*	*			trans	-148.8	123.7	149.3	-112.7	-19.3	0	0	0	113.3
21	R	30.9	Very low	30.4	Very low	234 Å²	234	150.2 Å²	150.2	88%	0.883	77%	0.766	S	S	*	*			trans	-81.1	150.8	160.9	-79.2	177.8	169	-176.9	-2.8	109.4
22	R	30.8	Very low	30.4	Very low	245 Å²	245	149.1 Å²	149.1	93%	0.925	76%	0.757	S	S	*	*			trans	-168.1	119.4	138.3	-98.1	168	-168.1	-157.8	3	104.4
23	G	25.9	Very low	30.4	Very low	83 Å²	83	151.7 Å²	151.7	86%	0.856	76%	0.762	S	S	*	*				78.1	127.7	69	0	0	0	0	0	108.4
24	G	28.7	Very low	30.4	Very low	66 Å²	66	150.1 Å²	150.1	68%	0.68	76%	0.764	S	S	*	*			cis	-164.4	163.4	6.5	0	0	0	0	0	107.8
25	D	30.2	Very low	30.4	Very low	149 Å²	149	147.1 Å²	147.1	80%	0.797	77%	0.766	S	S	*	*				74.5	131.4	98.1	-130.1	26.6	0	0	0	110.7
26	N	31.8	Very low	30.5	Very low	110 Å²	110	146.1 Å²	146.1	59%	0.588	76%	0.761	S	S	*	*			cis	176.2	166.9	36.1	-160.4	-28.2	0	0	0	108.2
27	R	32.8	Very low	30.5	Very low	179 Å²	179	148.3 Å²	148.3	68%	0.675	77%	0.769	S	S	*	*			trans	94.2	132.7	151.2	-56.1	-172.7	178.6	-177.5	1.9	117.9
28	R	32.5	Very low	30.8	Very low	149 Å²	149	148.8 Å²	148.8	56%	0.562	77%	0.77	S	S	*	*			cis	-171.8	136	2.4	-117	175.2	-171.7	-170.3	0	107
29	R	32.3	Very low	31.1	Very low	191 Å²	191	149.7 Å²	149.7	72%	0.721	77%	0.773	S	S	*	*				70.2	135.8	105.1	-85.6	-174.8	-167.1	-179.2	-5	113.9
30	N	30.3	Very low	30.2	Very low	130 Å²	130	149.1 Å²	149.1	70%	0.695	77%	0.772	S	S	*	*			cis	-147.8	150.1	26	-76.9	-45	0	0	0	108.8
31	H	28.9	Very low	30.3	Very low	175 Å²	175	147.8 Å²	147.8	81%	0.81	76%	0.764	S	S	*	*				58.2	128.5	65.9	-106.1	32.9	0	0	0	111.4
32	C	28.1	Very low	30.4	Very low	86 Å²	86	145.9 Å²	145.9	58%	0.581	77%	0.765	S	S	*	*			cis	-160.6	164.3	15.9	-54.9	0	0	0	0	109.6
33	D	28.1	Very low	30.5	Very low	163 Å²	163	141.9 Å²	141.9	87%	0.872	76%	0.756	S	S	*	*			trans	51.4	136.7	135.8	-57.6	-24.7	0	0	0	122.6
34	G	28	Very low	30.7	Very low	79 Å²	79	144.9 Å²	144.9	81%	0.814	75%	0.752	S	S	*	*			trans	161.5	90.4	156.3	0	0	0	0	0	113.5
35	A	29.9	Very low	30.7	Very low	91 Å²	91	150 Å²	150	75%	0.752	76%	0.758	S	S	*	*			trans	-69.6	154.9	171.3	0	0	0	0	0	112.3
36	Q	31.8	Very low	30.8	Very low	173 Å²	173	152.6 Å²	152.6	81%	0.808	77%	0.765	S	S	*	*			trans	68.5	124.7	158.8	-68.6	174.1	-15.9	0	0	117.7
37	F	28.6	Very low	30.8	Very low	197 Å²	197	152.6 Å²	152.6	86%	0.864	77%	0.774	S	S	*	*				172.4	119.9	117.1	-100.4	-81.8	0	0	0	109.1
38	R	33.7	Very low	30.7	Very low	236 Å²	236	149.6 Å²	149.6	89%	0.891	78%	0.781	S	S	*	*			trans	-81.2	144.7	150.6	-82.5	-173.9	172.6	-173	-1.2	107
39	P	34.5	Very low	30.8	Very low	125 Å²	125	147.1 Å²	147.1	81%	0.812	79%	0.792	S	S	*	*				-142.5	171.6	104.9	30.9	-11.7	0	0	0	114.3
40	S	28.5	Very low	31.1	Very low	103 Å²	103	143.9 Å²	143.9	72%	0.72	79%	0.793	S	S	*	*			trans	-77	163.6	-163.8	-48.3	0	0	0	0	116.4
41	N	31	Very low	31.5	Very low	139 Å²	139	143.1 Å²	143.1	74%	0.743	80%	0.796	S	S	*	*			trans	69.1	116.4	150.8	-73.3	-1.3	0	0	0	119.9
42	H	32.9	Very low	32	Very low	194 Å²	194	146.5 Å²	146.5	90%	0.898	80%	0.802	S	S	*	*				-152.1	147.2	123.1	-99.3	-68	0	0	0	111.5
43	H	31.4	Very low	32.5	Very low	161 Å²	161	151.2 Å²	151.2	75%	0.745	82%	0.815	S	S	*	*			trans	-73.9	166.6	-169.1	-79.1	-89.5	0	0	0	115.7
44	L	30	Very low	33	Very low	146 Å²	146	149.4 Å²	149.4	76%	0.764	81%	0.81	S	S	*	*			trans	82.4	101.2	152	-71.7	133.2	0	0	0	118.2
45	H	30.3	Very low	33.6	Very low	174 Å²	174	150.7 Å²	150.7	81%	0.806	80%	0.804	S	S	*	*				-169.2	116.7	98.8	-100.6	-64.7	0	0	0	110.1	S47	H45-S47 PolarHBondContact O-N 3.2Å
46	Q	32.1	Very low	34.5	Very low	203 Å²	203	152.6 Å²	152.6	95%	0.949	81%	0.808	S	S	*	*			trans	-67.7	105.7	162.3	-83.4	175.2	-10.6	0	0	107.9
47	S	30.9	Very low	35.8	Very low	110 Å²	110	155 Å²	155	77%	0.769	81%	0.81	S	S	*	*			trans	-96.1	121.7	155.9	53.8	0	0	0	0	107.8	H45 A49	H45-S47 PolarHBondContact O-N 3.2Å; S47-A49 PolarHBondContact O-N 2.9Å; S47-A49 VanDerWaalsContact O-N 3.16Å
48	S	32.1	Very low	37.6	Very low	117 Å²	117	149.2 Å²	149.2	82%	0.818	79%	0.794	S	S	*	*			trans	-51.7	114.7	174.2	34.5	0	0	0	0	110.4	T50	S48-T50 PolarHBondContact O-N 3.13Å
49	A	34.4	Very low	40.1	Very low	97 Å²	97	144.6 Å²	144.6	80%	0.802	78%	0.783	S	S	*	*			trans	-64.5	107.3	170.8	0	0	0	0	0	109	S47	S47-A49 PolarHBondContact O-N 2.9Å; S47-A49 VanDerWaalsContact O-N 3.16Å
50	T	38.6	Very low	43.1	Very low	122 Å²	122	140.9 Å²	140.9	75%	0.748	76%	0.758	S	S	*	*			trans	-50.2	136.6	159.7	33.7	0	0	0	0	109.3	S48 R52	S48-T50 PolarHBondContact O-N 3.13Å; T50-R52 PolarHBondContact O-N 3.17Å; T50-R52 VanDerWaalsContact O-N 3.13Å
51	P	37.4	Very low	46.4	Very low	115 Å²	115	137 Å²	137	75%	0.747	73%	0.729	S	S	*	*			trans	-56.9	125.5	175.1	-15.5	27.2	0	0	0	108.1	Q53	P51-Q53 VanDerWaalsContact C-N 3.32Å; P51-Q53 PolarHBondContact O-N 3.45Å
52	R	39.1	Very low	49.6	Very low	246 Å²	246	132 Å²	132	93%	0.928	71%	0.705	S	S	*	*			trans	-51.2	102.2	166.8	-95	176.3	150.7	-169.9	-5.8	107.1	T50 T54	T50-R52 PolarHBondContact O-N 3.17Å; T50-R52 VanDerWaalsContact O-N 3.13Å; R52-T54 PolarHBondContact O-N 3.2Å; R52-T54 VanDerWaalsContact O-N 3.07Å
53	Q	40	Very low	52.6	Low	184 Å²	184	123.3 Å²	123.3	86%	0.86	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-56.2	118.8	167.7	-72.6	-178.3	-0.6	0	0	105.8	P51	P51-Q53 VanDerWaalsContact C-N 3.32Å; P51-Q53 PolarHBondContact O-N 3.45Å
54	T	38.8	Very low	55.7	Low	126 Å²	126	124 Å²	124	77%	0.773	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-52.4	131.8	166.8	13.4	0	0	0	0	106.5	R52	R52-T54 PolarHBondContact O-N 3.2Å; R52-T54 VanDerWaalsContact O-N 3.07Å
55	P	39.4	Very low	58.9	Low	105 Å²	105	121.2 Å²	121.2	68%	0.682	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-54.4	138.2	178.3	21.9	-30.9	0	0	0	108.4	R57	P55-R57 PolarHBondContact O-N 3.31Å
56	P	48.6	Very low	62	Low	131 Å²	131	119.5 Å²	119.5	85%	0.851	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-52.9	122.3	178.1	19.5	-29.6	0	0	0	108.3	S58	P56-S58 PolarHBondContact O-N 2.94Å
57	R	60.5	Low	65.1	Low	224 Å²	224	112.5 Å²	112.5	85%	0.845	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-60.1	132.7	-179.1	-73.6	179.1	174.8	178.6	-1.8	108.3	P55 Q59	P55-R57 PolarHBondContact O-N 3.31Å; R57-Q59 PolarHBondContact O-N 3.33Å
58	S	64.6	Low	68.3	Low	76 Å²	76	107.4 Å²	107.4	53%	0.531	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-58.8	125.6	179.9	-165.8	0	0	0	0	110.2	P56 T60	P56-S58 PolarHBondContact O-N 2.94Å; S58-T60 PolarHBondContact O-N 2.9Å; S58-T60 PolarHBondContact OG-N 3.31Å; S58-T60 PolarHBondContact OG-OG1 3.33Å
59	Q	87.9	Confident	71.3	Confident	138 Å²	138	106.9 Å²	106.9	65%	0.645	56%	0.559	S	S	*	*	S	Bend	trans	-80.3	11.6	173.2	-67.9	-178.4	-13.9	0	0	112.3	R57 F371	R57-Q59 PolarHBondContact O-N 3.33Å; Q59-F371 WeakPolarHBondContact O-CZ 3.25Å
60	T	96.4	Very high	74.2	Confident	47 Å²	47	107.4 Å²	107.4	29%	0.288	54%	0.54	S	S	.	.	S	Bend	trans	-121.1	159.7	-177.8	73	0	0	0	0	111.4	S58 D394 V395 T396	S58-T60 PolarHBondContact O-N 2.9Å; S58-T60 PolarHBondContact OG-N 3.31Å; S58-T60 PolarHBondContact OG-OG1 3.33Å; T60-D394 PolarHBondContact OG1-OD2 3.25Å; T60-V395 CarbonylContact C-O 3.57Å; T60-V395 VanDerWaalsContact CA-O 3.23Å; T60-V395 WeakPolarHBondContact CA-O 3.47Å; T60-V395 WeakPolarHBondContact CB-O 3.44Å; T60-T396 HydrophobicContact CG2-CG2 3.98Å
61	L	97.9	Very high	77	Confident	21 Å²	21	108.6 Å²	108.6	11%	0.11	54%	0.542	C	S	.	.	B	Isolated β-bridge	trans	-120.7	119.1	170.5	175.2	74.8	0	0	0	109.7	F364 D367 F368 F371 D394 V395	L61-F364 HydrophobicContact CD2-CE2 4.09Å; L61-D367 HydrophobicContact CD1-CB 4.21Å; L61-F368 VanDerWaalsContact CD2-CA 3.49Å; L61-F368 HydrophobicContact CD2-CB 3.84Å; L61-F368 HydrophobicContact CD2-CD2 4.06Å; L61-F368 HydrophobicContact CD2-CG 4.45Å; L61-F371 HydrophobicContact CB-CD1 3.55Å; L61-F371 HydrophobicContact CB-CE1 3.76Å; L61-F371 HydrophobicContact CB-CG 4.1Å; L61-F371 HydrophobicContact CB-CZ 4.43Å; L61-F371 HydrophobicContact CD2-CB 4.18Å; L61-F371 HydrophobicContact CD2-CD1 3.98Å; L61-F371 HydrophobicContact CD2-CG 4.44Å; L61-F371 HydrophobicContact CG-CD1 4.36Å; L61-D394 CarbonylContact O-C 3.56Å; L61-D394 WeakPolarHBondContact O-CA 3.35Å; L61-D394 WeakPolarHBondContact O-CB 3.47Å; L61-V395 HydrophobicContact CB-CB 4.16Å; L61-V395 HydrophobicContact CD2-CG2 4.49Å; L61-V395 PolarHBondContact N-O 3.36Å; L61-V395 PolarHBondContact O-N 3.48Å
62	S	97.7	Very high	79.9	Confident	34 Å²	34	107.3 Å²	107.3	24%	0.238	53%	0.525	C	S	.	.			trans	-57.7	143	178.6	176.2	0	0	0	0	112.2	R64 Y68 D394	S62-R64 WeakPolarHBondContact OG-CB 3.36Å; S62-R64 PolarHBondContact OG-N 2.9Å; S62-Y68 WeakPolarHBondContact O-CE2 3.45Å; S62-Y68 VanDerWaalsContact O-CZ 3.32Å; S62-Y68 PolarHBondContact O-OH 2.76Å; S62-D394 WeakPolarHBondContact CA-OD1 3.19Å
63	T	97.3	Very high	82.7	Confident	13 Å²	13	96.2 Å²	96.2	8%	0.08	48%	0.484	C	S	.	.			trans	-108.3	4.9	172.3	63.5	0	0	0	0	113	R65 T175 F364 W389 N393 V395	T63-R65 PolarHBondContact O-N 3.13Å; T63-T175 HydrophobicContact CG2-CG2 3.96Å; T63-F364 HydrophobicContact CG2-CE2 3.79Å; T63-F364 HydrophobicContact CG2-CZ 4.19Å; T63-W389 VanDerWaalsContact CG2-CD1 3.41Å; T63-W389 HydrophobicContact CG2-CG 4.43Å; T63-W389 PolarHBondContact OG1-NE1 2.8Å; T63-N393 WeakPolarHBondContact CG2-O 3.29Å; T63-N393 PolarHBondContact OG1-O 3.45Å; T63-V395 HydrophobicContact CG2-CG2 3.73Å
64	R	96.6	Very high	85.5	Confident	174 Å²	174	92.1 Å²	92.1	66%	0.657	47%	0.468	S	S	*	.			trans	-65.6	128.4	179.5	-64.3	-171.3	-173.6	-172	1.5	110.8	S62 E66 A67 Y68	S62-R64 WeakPolarHBondContact OG-CB 3.36Å; S62-R64 PolarHBondContact OG-N 2.9Å; R64-E66 WeakPolarHBondContact CB-OE2 3.36Å; R64-E66 PolarHBondContact O-N 3.43Å; R64-A67 WeakPolarHBondContact O-CB 3.39Å; R64-A67 PolarHBondContact O-N 2.91Å; R64-A67 VanDerWaalsContact O-N 3.1Å; R64-Y68 WeakPolarHBondContact O-CD2 3.13Å; R64-Y68 WeakPolarHBondContact O-CE2 3.33Å
65	R	95.6	Very high	88.3	Confident	89 Å²	89	87.5 Å²	87.5	34%	0.336	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-58.4	-36.6	-173.7	-61.1	164.8	-172.6	174.2	4.7	112	T63 A67 Y68 E69 P176 Y177 V360	T63-R65 PolarHBondContact O-N 3.13Å; R65-A67 PolarHBondContact O-N 3.41Å; R65-Y68 PolarHBondContact O-N 2.97Å; R65-E69 WeakPolarHBondContact O-CG 3.43Å; R65-E69 PolarHBondContact O-N 2.97Å; R65-P176 HydrophobicContact CG-CB 4.05Å; R65-P176 VanDerWaalsContact CG-O 3.31Å; R65-P176 WeakPolarHBondContact CG-O 3.22Å; R65-P176 PolarHBondContact NE-O 2.99Å; R65-Y177 HydrophobicContact CG-CD1 4.49Å; R65-Y177 HydrophobicContact CG-CE1 4.06Å; R65-V360 HydrophobicContact CB-CG1 4.28Å; R65-V360 HydrophobicContact CG-CG1 4.45Å
66	E	95.9	Very high	91.1	Very high	137 Å²	137	87.1 Å²	87.1	64%	0.64	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-60.5	-28.2	-177.4	-57.4	74	-158	0	0	111.8	R64 Y68	R64-E66 WeakPolarHBondContact CB-OE2 3.36Å; R64-E66 PolarHBondContact O-N 3.43Å; E66-Y68 PolarHBondContact O-N 2.95Å
67	A	96.6	Very high	93.4	Very high	56 Å²	56	88.9 Å²	88.9	46%	0.463	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-70.9	-15.3	176.4	0	0	0	0	0	113.3	R64 R65	R64-A67 WeakPolarHBondContact O-CB 3.39Å; R64-A67 PolarHBondContact O-N 2.91Å; R64-A67 VanDerWaalsContact O-N 3.1Å; R65-A67 PolarHBondContact O-N 3.41Å
68	Y	98	Very high	95.2	Very high	4 Å²	4	78.9 Å²	78.9	2%	0.016	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-119.9	7.5	-171.3	-56.6	-67	0	0	0	113.3	S62 R64 R65 E66 R70 N363 F364 D367	S62-Y68 WeakPolarHBondContact O-CE2 3.45Å; S62-Y68 VanDerWaalsContact O-CZ 3.32Å; S62-Y68 PolarHBondContact O-OH 2.76Å; R64-Y68 WeakPolarHBondContact O-CD2 3.13Å; R64-Y68 WeakPolarHBondContact O-CE2 3.33Å; R65-Y68 PolarHBondContact O-N 2.97Å; E66-Y68 PolarHBondContact O-N 2.95Å; Y68-R70 PolarHBondContact O-N 3.11Å; Y68-N363 HydrophobicContact CD1-CB 4.13Å; Y68-N363 PolarHBondContact O-ND2 3.2Å; Y68-F364 HydrophobicContact CD1-CB 4.15Å; Y68-F364 HydrophobicContact CD2-CB 4.09Å; Y68-F364 HydrophobicContact CD2-CD2 4.33Å; Y68-F364 HydrophobicContact CE1-CB 4.22Å; Y68-F364 HydrophobicContact CE1-CD2 4.27Å; Y68-F364 HydrophobicContact CE2-CB 4.18Å; Y68-F364 AromaticContact CE2-CD2 3.61Å; Y68-F364 HydrophobicContact CE2-CD2 3.61Å; Y68-F364 HydrophobicContact CE2-CG 4.37Å; Y68-F364 HydrophobicContact CG-CB 4.08Å; Y68-F364 AromaticContact CZ-CD2 3.58Å; Y68-D367 HydrophobicContact CE1-CB 3.86Å; Y68-D367 WeakPolarHBondContact CE1-OD2 3.41Å
69	E	95.8	Very high	96.8	Very high	106 Å²	106	78.9 Å²	78.9	50%	0.495	38%	0.381	S	S	.	.			trans	-77.8	67.1	174	-60.9	-152.3	163.4	0	0	111.3	R65 K357 V360	R65-E69 WeakPolarHBondContact O-CG 3.43Å; R65-E69 PolarHBondContact O-N 2.97Å; E69-K357 IonicContact OE1-NZ 2.94Å; E69-K357 PolarHBondContact OE1-NZ 3.33Å; E69-K357 IonicContact OE2-NZ 2.82Å; E69-K357 PolarHBondContact OE2-NZ 2.91Å; E69-V360 HydrophobicContact CG-CG2 3.91Å
70	R	95.9	Very high	97.3	Very high	107 Å²	107	74.5 Å²	74.5	40%	0.404	36%	0.361	S	S	.	.	S	Bend	trans	-127.7	179.5	174.5	65.7	-171.2	-171.3	-150.9	-1.7	110.4	Y68 T359 N363 D367	Y68-R70 PolarHBondContact O-N 3.11Å; R70-T359 WeakPolarHBondContact O-CB 3.45Å; R70-N363 HydrophobicContact CG-CB 4.3Å; R70-N363 VanDerWaalsContact CG-CG 3.46Å; R70-N363 WeakPolarHBondContact CG-ND2 3.26Å; R70-N363 PolarHBondContact NE-OD1 2.88Å; R70-N363 PolarHBondContact NH2-OD1 3.23Å; R70-N363 PolarHBondContact O-ND2 2.88Å; R70-D367 IonicContact CZ-OD1 2.94Å; R70-D367 IonicContact CZ-OD2 3.31Å; R70-D367 IonicContact NH1-OD1 3.49Å; R70-D367 PolarHBondContact NH1-OD1 3.06Å; R70-D367 IonicContact NH1-OD2 3.66Å; R70-D367 PolarHBondContact NH1-OD2 3.03Å; R70-D367 VanDerWaalsContact NH2-CG 3.31Å; R70-D367 IonicContact NH2-OD1 3.4Å; R70-D367 PolarHBondContact NH2-OD1 3.12Å; R70-D367 IonicContact NH2-OD2 3.38Å; R70-D367 PolarHBondContact NH2-OD2 3.3Å
71	D	97.5	Very high	97.3	Very high	148 Å²	148	74.1 Å²	74.1	79%	0.791	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-55.5	153.2	179.3	-68.9	-26.1	0	0	0	112.1	N363	D71-N363 PolarHBondContact O-ND2 3.01Å
72	F	97.8	Very high	97.3	Very high	88 Å²	88	74 Å²	74	39%	0.386	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-62.3	122.1	178.1	-165.7	-88.5	0	0	0	109.1	F316 P358 T359 M362	F72-F316 HydrophobicContact CE1-CZ 4.22Å; F72-F316 AromaticContact CZ-CE1 3.95Å; F72-F316 HydrophobicContact CZ-CE1 3.95Å; F72-F316 AromaticContact CZ-CZ 3.59Å; F72-F316 HydrophobicContact CZ-CZ 3.59Å; F72-P358 HydrophobicContact CD2-CB 4.45Å; F72-P358 HydrophobicContact CE2-CB 4.04Å; F72-T359 HydrophobicContact CB-CG2 3.88Å; F72-T359 HydrophobicContact CD2-CG2 3.91Å; F72-T359 HydrophobicContact CG-CG2 4.4Å; F72-M362 HydrophobicContact CE1-CG 4.46Å; F72-M362 HydrophobicContact CE2-CB 4.23Å; F72-M362 HydrophobicContact CE2-CG 3.6Å; F72-M362 HydrophobicContact CZ-CB 4.3Å; F72-M362 HydrophobicContact CZ-CG 3.55Å
73	P	98.2	Very high	97.4	Very high	12 Å²	12	73.6 Å²	73.6	8%	0.078	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-68	152.2	-177.5	29.5	-34.3	0	0	0	109.9	Y75 L258 T259 M362 N363	P73-Y75 PolarHBondContact O-N 3.14Å; P73-L258 HydrophobicContact CB-CD1 4.08Å; P73-L258 HydrophobicContact CG-CD1 3.87Å; P73-T259 HydrophobicContact CB-CG2 3.74Å; P73-M362 HydrophobicContact CG-CB 3.55Å; P73-N363 WeakPolarHBondContact CD-OD1 3.28Å
74	L	98.3	Very high	97.4	Very high	98 Å²	98	73 Å²	73	51%	0.513	36%	0.355	S	S	.	.			trans	-57.1	115.4	175.1	177.5	68.3	0	0	0	109.6	T259	L74-T259 PolarHBondContact O-N 3.47Å
75	Y	98.4	Very high	97.6	Very high	29 Å²	29	64.7 Å²	64.7	11%	0.114	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-117.7	111.9	168.8	-169.8	-118.5	0	0	0	107.9	P73 P78 T256 R257 L258 F316 L317 M362	P73-Y75 PolarHBondContact O-N 3.14Å; Y75-P78 HydrophobicContact CE1-CG 3.88Å; Y75-T256 HydrophobicContact CE2-CG2 3.6Å; Y75-T256 WeakPolarHBondContact OH-CG2 3.36Å; Y75-R257 WeakPolarHBondContact CA-O 3.19Å; Y75-L258 HydrophobicContact CD2-CB 4Å; Y75-L258 HydrophobicContact CD2-CD1 4.05Å; Y75-L258 HydrophobicContact CE2-CB 4.36Å; Y75-F316 HydrophobicContact CD1-CD1 4.42Å; Y75-F316 AromaticContact CD1-CE1 3.51Å; Y75-F316 HydrophobicContact CD1-CE1 3.51Å; Y75-F316 AromaticContact CD1-CZ 3.75Å; Y75-F316 HydrophobicContact CD1-CZ 3.75Å; Y75-F316 HydrophobicContact CE1-CD1 4.26Å; Y75-F316 AromaticContact CE1-CE1 3.76Å; Y75-F316 HydrophobicContact CE1-CE1 3.76Å; Y75-F316 HydrophobicContact CE1-CZ 4.31Å; Y75-F316 HydrophobicContact CG-CE1 4.24Å; Y75-L317 WeakPolarHBondContact OH-CA 3.37Å; Y75-L317 PolarHBondContact OH-O 3.02Å; Y75-M362 HydrophobicContact CD1-CE 4.28Å; Y75-M362 HydrophobicContact CD2-CE 3.6Å; Y75-M362 HydrophobicContact CE2-CE 4.03Å; Y75-M362 HydrophobicContact CG-CE 3.73Å
76	K	98.2	Very high	97.7	Very high	98 Å²	98	60.5 Å²	60.5	43%	0.426	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-65	149.6	178.5	-76.8	-164.4	170.9	-178.9	0	109.8	P78 T256 R257	K76-P78 WeakPolarHBondContact O-CD 3.35Å; K76-T256 PolarHBondContact O-OG1 3.12Å; K76-R257 HydrophobicContact CB-CB 4.21Å; K76-R257 HydrophobicContact CD-CB 3.9Å; K76-R257 VanDerWaalsContact CE-CZ 3.46Å; K76-R257 VanDerWaalsContact CE-NH2 3.25Å; K76-R257 HydrophobicContact CG-CB 4.02Å; K76-R257 PolarHBondContact N-O 3.36Å
77	Q	97.1	Very high	97.8	Very high	168 Å²	168	54.6 Å²	54.6	79%	0.785	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-55.3	124.3	172.2	-174.5	170.8	4.4	0	0	109
78	P	97.8	Very high	97.9	Very high	14 Å²	14	54.6 Å²	54.6	9%	0.091	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-65.8	140.5	178.8	-16.9	29.9	0	0	0	111	Y75 K76 V254 L317	Y75-P78 HydrophobicContact CE1-CG 3.88Å; K76-P78 WeakPolarHBondContact O-CD 3.35Å; P78-V254 HydrophobicContact CB-CG1 3.38Å; P78-L317 WeakPolarHBondContact CG-O 3.33Å
79	V	97.6	Very high	97.9	Very high	75 Å²	75	63.2 Å²	63.2	46%	0.455	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	125.1	179.9	-179.4	0	0	0	0	108.4	V81 V254 Q255	V79-V81 PolarHBondContact O-N 2.89Å; V79-V254 WeakPolarHBondContact O-CA 3.44Å; V79-Q255 HydrophobicContact CB-CG 4.14Å; V79-Q255 PolarHBondContact N-O 3.05Å; V79-Q255 PolarHBondContact O-N 3.1Å
80	E	98.1	Very high	98	Very high	46 Å²	46	60.2 Å²	60.2	22%	0.215	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	129.1	169.6	179.2	171.4	95.4	0	0	109.9	G82 T252 V253 P281 Y285	E80-G82 WeakPolarHBondContact CG-O 3.4Å; E80-T252 VanDerWaalsContact OE2-CB 3.31Å; E80-T252 WeakPolarHBondContact OE2-CB 3.2Å; E80-T252 PolarHBondContact OE2-OG1 3.36Å; E80-V253 WeakPolarHBondContact CA-O 3.23Å; E80-P281 HydrophobicContact CB-CB 4.09Å; E80-P281 VanDerWaalsContact CD-CB 3.48Å; E80-P281 HydrophobicContact CG-CB 4.39Å; E80-P281 VanDerWaalsContact OE1-CB 3.23Å; E80-P281 WeakPolarHBondContact OE1-CB 3.36Å; E80-Y285 WeakPolarHBondContact OE2-CE2 3.36Å; E80-Y285 PolarHBondContact OE2-OH 2.96Å
81	V	97.3	Very high	98.1	Very high	39 Å²	39	61.1 Å²	61.1	24%	0.236	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-6.8	175.2	-68.7	0	0	0	0	112.6	V79 W138 V253 Q255 L264	V79-V81 PolarHBondContact O-N 2.89Å; V81-W138 HydrophobicContact CB-CH2 4.26Å; V81-W138 HydrophobicContact CG2-CH2 3.62Å; V81-W138 HydrophobicContact CG2-CZ2 4.32Å; V81-W138 HydrophobicContact CG2-CZ3 4.39Å; V81-V253 HydrophobicContact CG2-CB 4.29Å; V81-V253 HydrophobicContact CG2-CG1 3.98Å; V81-V253 VanDerWaalsContact CG2-O 3.27Å; V81-V253 WeakPolarHBondContact CG2-O 3.33Å; V81-V253 PolarHBondContact N-O 3.37Å; V81-Q255 HydrophobicContact CG1-CB 4.04Å; V81-Q255 VanDerWaalsContact CG1-CD 3.41Å; V81-Q255 HydrophobicContact CG1-CG 3.56Å; V81-L264 HydrophobicContact CG2-CD1 3.79Å
82	G	98	Very high	98.2	Very high	19 Å²	19	56.1 Å²	56.1	20%	0.196	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.4	-166.2	167.8	0	0	0	0	0	111.1	E80 V253	E80-G82 WeakPolarHBondContact CG-O 3.4Å; G82-V253 PolarHBondContact N-O 3.08Å; G82-V253 WeakPolarHBondContact O-CA 3.49Å; G82-V253 PolarHBondContact O-N 3.16Å
83	C	98.7	Very high	98.2	Very high	25 Å²	25	54.2 Å²	54.2	17%	0.169	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	171.2	-179.2	57.6	0	0	0	0	111	W138 F250 C251	C83-W138 VanDerWaalsContact O-CD1 3.31Å; C83-W138 PolarHBondContact O-NE1 3.29Å; C83-W138 VanDerWaalsContact O-NE1 3.13Å; C83-F250 HydrophobicContact CB-CE1 4.38Å; C83-F250 HydrophobicContact CB-CE2 3.51Å; C83-F250 HydrophobicContact CB-CZ 3.37Å; C83-C251 CarbonylContact C-O 3.58Å; C83-C251 WeakPolarHBondContact CA-O 3.41Å; C83-C251 VanDerWaalsContact CB-O 3.26Å; C83-C251 WeakPolarHBondContact CB-O 3.25Å
84	F	98.9	Very high	98.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	165.5	166.2	60.4	-89.4	0	0	0	110.4	L86 F92 F93 D95 H134 W138 W165 C251 V253 S266	F84-L86 HydrophobicContact CD2-CG 4.47Å; F84-L86 HydrophobicContact CE2-CD1 4.48Å; F84-L86 HydrophobicContact CE2-CG 4.4Å; F84-F92 HydrophobicContact CB-CD2 4.27Å; F84-F92 HydrophobicContact CB-CE2 3.51Å; F84-F92 HydrophobicContact CB-CZ 3.87Å; F84-F92 HydrophobicContact CD1-CE2 4.13Å; F84-F92 AromaticContact CD2-CD2 3.87Å; F84-F92 HydrophobicContact CD2-CD2 3.87Å; F84-F92 AromaticContact CD2-CE2 3.66Å; F84-F92 HydrophobicContact CD2-CE2 3.66Å; F84-F92 HydrophobicContact CE2-CE2 4.44Å; F84-F92 HydrophobicContact CG-CD2 4.17Å; F84-F92 AromaticContact CG-CE2 3.49Å; F84-F92 HydrophobicContact CG-CE2 3.49Å; F84-F92 VanDerWaalsContact CG-CE2 3.49Å; F84-F92 HydrophobicContact CG-CZ 4.28Å; F84-F93 CarbonylContact C-O 3.58Å; F84-F93 WeakPolarHBondContact CA-O 3.31Å; F84-F93 VanDerWaalsContact CB-O 3.26Å; F84-F93 WeakPolarHBondContact CB-O 3.48Å; F84-D95 CarbonylContact C-O 3.56Å; F84-D95 VanDerWaalsContact CA-O 3.3Å; F84-D95 WeakPolarHBondContact CA-O 3.46Å; F84-H134 HydrophobicContact CE2-CB 3.84Å; F84-H134 HydrophobicContact CZ-CB 4.16Å; F84-W138 HydrophobicContact CD1-CB 3.89Å; F84-W138 AromaticContact CD1-CD1 3.71Å; F84-W138 AromaticContact CD1-CG 3.92Å; F84-W138 HydrophobicContact CD1-CG 3.92Å; F84-W138 HydrophobicContact CE1-CB 4.35Å; F84-W165 HydrophobicContact CE2-CH2 4.31Å; F84-W165 AromaticContact CZ-CH2 3.61Å; F84-W165 HydrophobicContact CZ-CH2 3.61Å; F84-W165 AromaticContact CZ-CZ3 3.88Å; F84-W165 HydrophobicContact CZ-CZ3 3.88Å; F84-C251 HydrophobicContact CD1-CB 4.19Å; F84-C251 HydrophobicContact CD2-CB 4Å; F84-C251 HydrophobicContact CE1-CB 3.69Å; F84-C251 HydrophobicContact CE2-CB 3.47Å; F84-C251 VanDerWaalsContact CE2-CB 3.47Å; F84-C251 HydrophobicContact CG-CB 4.31Å; F84-C251 HydrophobicContact CZ-CB 3.27Å; F84-C251 PolarHBondContact N-O 2.68Å; F84-C251 PolarHBondContact O-N 2.74Å; F84-V253 HydrophobicContact CD1-CG2 3.86Å; F84-V253 HydrophobicContact CE1-CG2 3.79Å; F84-S266 VanDerWaalsContact CE1-OG 3.32Å; F84-S266 WeakPolarHBondContact CE1-OG 3.38Å
85	S	98.9	Very high	98.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	149.1	-178.8	-65.2	0	0	0	0	111.2	F93 D95 R97 Q98 A249	S85-F93 PolarHBondContact N-O 2.97Å; S85-F93 PolarHBondContact O-N 3.3Å; S85-D95 WeakPolarHBondContact CB-O 3.35Å; S85-D95 PolarHBondContact N-O 2.99Å; S85-D95 VanDerWaalsContact N-O 3.13Å; S85-D95 PolarHBondContact OG-O 3.02Å; S85-R97 PolarHBondContact OG-N 3.11Å; S85-R97 VanDerWaalsContact OG-N 3.13Å; S85-Q98 PolarHBondContact OG-N 3.21Å; S85-A249 CarbonylContact C-O 3.56Å; S85-A249 WeakPolarHBondContact CA-O 3.38Å
86	L	98.8	Very high	98.2	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120	171.5	-59.8	175.3	0	0	0	108.2	F84 R90 R91 F92 Q98 E248 A249	F84-L86 HydrophobicContact CD2-CG 4.47Å; F84-L86 HydrophobicContact CE2-CD1 4.48Å; F84-L86 HydrophobicContact CE2-CG 4.4Å; L86-R90 VanDerWaalsContact CD1-NH1 3.29Å; L86-R91 WeakPolarHBondContact CA-O 3.36Å; L86-F92 HydrophobicContact CD2-CB 4.21Å; L86-F92 HydrophobicContact CD2-CD2 4.41Å; L86-Q98 WeakPolarHBondContact O-CG 3.47Å; L86-Q98 PolarHBondContact O-NE2 2.92Å; L86-E248 VanDerWaalsContact O-CA 3.24Å; L86-E248 WeakPolarHBondContact O-CA 3.34Å; L86-A249 HydrophobicContact CB-CB 4.29Å; L86-A249 HydrophobicContact CD1-CB 4.36Å; L86-A249 PolarHBondContact N-O 2.82Å; L86-A249 PolarHBondContact O-N 3.49Å
87	D	98.4	Very high	98.2	Very high	13 Å²	13	58 Å²	58	7%	0.07	28%	0.284	C	S	.	.			trans	-77.9	-176.9	-176.1	77.3	-4.8	0	0	0	113.4	R89 R90 R91 F93	D87-R89 PolarHBondContact O-N 3.09Å; D87-R89 VanDerWaalsContact OD1-C 3.29Å; D87-R89 WeakPolarHBondContact OD1-CA 3.31Å; D87-R89 PolarHBondContact OD1-N 3.27Å; D87-R90 WeakPolarHBondContact O-CA 3.33Å; D87-R90 PolarHBondContact O-N 2.9Å; D87-R90 PolarHBondContact OD1-N 2.75Å; D87-R90 VanDerWaalsContact OD1-N 3.14Å; D87-R91 PolarHBondContact N-O 3.37Å; D87-R91 VanDerWaalsContact N-O 3.11Å; D87-R91 WeakPolarHBondContact OD1-CB 3.34Å; D87-R91 PolarHBondContact OD1-N 3.47Å; D87-R91 IonicContact OD1-NE 3.71Å; D87-R91 IonicContact OD2-CZ 3.12Å; D87-R91 IonicContact OD2-NE 2.74Å; D87-R91 PolarHBondContact OD2-NE 3.01Å; D87-R91 IonicContact OD2-NH2 2.68Å; D87-R91 PolarHBondContact OD2-NH2 3.14Å; D87-F93 HydrophobicContact CB-CD2 4.25Å; D87-F93 HydrophobicContact CB-CE2 3.79Å; D87-F93 WeakPolarHBondContact OD2-CE2 3.43Å
88	S	97.9	Very high	98.2	Very high	57 Å²	57	52.1 Å²	52.1	40%	0.399	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-16.2	177.9	60.7	0	0	0	0	115.2	N245 E248	S88-N245 WeakPolarHBondContact CA-ND2 3.26Å; S88-N245 WeakPolarHBondContact CB-ND2 3.43Å; S88-N245 PolarHBondContact O-ND2 3.32Å; S88-E248 WeakPolarHBondContact CB-OE1 3.16Å
89	R	98.1	Very high	98.3	Very high	184 Å²	184	52.3 Å²	52.3	69%	0.694	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	15.8	176	-62.3	-176.3	63.5	-169.9	-1.1	112.6	D87 R91	D87-R89 PolarHBondContact O-N 3.09Å; D87-R89 VanDerWaalsContact OD1-C 3.29Å; D87-R89 WeakPolarHBondContact OD1-CA 3.31Å; D87-R89 PolarHBondContact OD1-N 3.27Å; R89-R91 HydrophobicContact CB-CG 4.18Å; R89-R91 PolarHBondContact O-N 3.38Å
90	R	98.3	Very high	98.3	Very high	44 Å²	44	51.8 Å²	51.8	17%	0.166	25%	0.245	C	C	.	.			trans	61.2	23.4	-178.6	-156.3	63.3	176.6	171.5	1.4	114	L86 D87 E130 N247	L86-R90 VanDerWaalsContact CD1-NH1 3.29Å; D87-R90 WeakPolarHBondContact O-CA 3.33Å; D87-R90 PolarHBondContact O-N 2.9Å; D87-R90 PolarHBondContact OD1-N 2.75Å; D87-R90 VanDerWaalsContact OD1-N 3.14Å; R90-E130 WeakPolarHBondContact CG-OE1 3.5Å; R90-E130 IonicContact CZ-OE1 2.83Å; R90-E130 IonicContact CZ-OE2 3.72Å; R90-E130 IonicContact NE-OE1 3.76Å; R90-E130 PolarHBondContact NE-OE1 3.43Å; R90-E130 IonicContact NE-OE2 3.87Å; R90-E130 PolarHBondContact NE-OE2 2.74Å; R90-E130 IonicContact NH2-OE1 3.45Å; R90-E130 IonicContact NH2-OE2 3.73Å; R90-E130 PolarHBondContact NH2-OE2 2.85Å; R90-N247 HydrophobicContact CB-CB 4.14Å; R90-N247 WeakPolarHBondContact CD-O 3.45Å; R90-N247 PolarHBondContact NH1-O 3.38Å
91	R	98.4	Very high	98.3	Very high	126 Å²	126	52.3 Å²	52.3	48%	0.475	25%	0.246	S	C	.	.			trans	-81.3	139.9	177.6	-59	-178.3	-63.4	172.6	2.5	110.2	L86 D87 R89 F93	L86-R91 WeakPolarHBondContact CA-O 3.36Å; D87-R91 PolarHBondContact N-O 3.37Å; D87-R91 VanDerWaalsContact N-O 3.11Å; D87-R91 WeakPolarHBondContact OD1-CB 3.34Å; D87-R91 PolarHBondContact OD1-N 3.47Å; D87-R91 IonicContact OD1-NE 3.71Å; D87-R91 IonicContact OD2-CZ 3.12Å; D87-R91 IonicContact OD2-NE 2.74Å; D87-R91 PolarHBondContact OD2-NE 3.01Å; D87-R91 IonicContact OD2-NH2 2.68Å; D87-R91 PolarHBondContact OD2-NH2 3.14Å; R89-R91 HydrophobicContact CB-CG 4.18Å; R89-R91 PolarHBondContact O-N 3.38Å; R91-F93 HydrophobicContact CB-CE2 3.88Å; R91-F93 HydrophobicContact CB-CZ 4.42Å; R91-F93 WeakPolarHBondContact O-CD2 3.4Å
92	F	98.7	Very high	98.4	Very high	42 Å²	42	51 Å²	51	18%	0.184	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	133.7	-179.1	175.7	-87.2	0	0	0	112.5	F84 L86 N94 H134 R137 W138	F84-F92 HydrophobicContact CB-CD2 4.27Å; F84-F92 HydrophobicContact CB-CE2 3.51Å; F84-F92 HydrophobicContact CB-CZ 3.87Å; F84-F92 HydrophobicContact CD1-CE2 4.13Å; F84-F92 AromaticContact CD2-CD2 3.87Å; F84-F92 HydrophobicContact CD2-CD2 3.87Å; F84-F92 AromaticContact CD2-CE2 3.66Å; F84-F92 HydrophobicContact CD2-CE2 3.66Å; F84-F92 HydrophobicContact CE2-CE2 4.44Å; F84-F92 HydrophobicContact CG-CD2 4.17Å; F84-F92 AromaticContact CG-CE2 3.49Å; F84-F92 HydrophobicContact CG-CE2 3.49Å; F84-F92 VanDerWaalsContact CG-CE2 3.49Å; F84-F92 HydrophobicContact CG-CZ 4.28Å; L86-F92 HydrophobicContact CD2-CB 4.21Å; L86-F92 HydrophobicContact CD2-CD2 4.41Å; F92-N94 HydrophobicContact CE1-CB 3.95Å; F92-N94 HydrophobicContact CZ-CB 4.19Å; F92-H134 HydrophobicContact CD2-CB 4.26Å; F92-H134 WeakPolarHBondContact CE2-O 3.46Å; F92-R137 HydrophobicContact CD1-CB 4.27Å; F92-R137 HydrophobicContact CD2-CB 4.23Å; F92-R137 HydrophobicContact CE1-CB 4.13Å; F92-R137 HydrophobicContact CE2-CB 4.08Å; F92-R137 HydrophobicContact CG-CB 4.33Å; F92-R137 HydrophobicContact CZ-CB 4.04Å; F92-W138 HydrophobicContact CE2-CB 4.17Å; F92-W138 HydrophobicContact CZ-CB 4.04Å
93	F	98.8	Very high	98.3	Very high	48 Å²	48	50.6 Å²	50.6	21%	0.211	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.7	170.6	-64.7	-85.4	0	0	0	110.2	F84 S85 D87 R91 D95 R97	F84-F93 CarbonylContact C-O 3.58Å; F84-F93 WeakPolarHBondContact CA-O 3.31Å; F84-F93 VanDerWaalsContact CB-O 3.26Å; F84-F93 WeakPolarHBondContact CB-O 3.48Å; S85-F93 PolarHBondContact N-O 2.97Å; S85-F93 PolarHBondContact O-N 3.3Å; D87-F93 HydrophobicContact CB-CD2 4.25Å; D87-F93 HydrophobicContact CB-CE2 3.79Å; D87-F93 WeakPolarHBondContact OD2-CE2 3.43Å; R91-F93 HydrophobicContact CB-CE2 3.88Å; R91-F93 HydrophobicContact CB-CZ 4.42Å; R91-F93 WeakPolarHBondContact O-CD2 3.4Å; F93-D95 PolarHBondContact O-N 3.37Å; F93-R97 VanDerWaalsContact CG-CZ 3.44Å
94	N	98.2	Very high	98.2	Very high	65 Å²	65	56 Å²	56	35%	0.348	25%	0.254	S	S	.	.	S	Bend	trans	-81.3	54	-179.5	-167.3	36.2	0	0	0	111.7	F92 W138 N142	F92-N94 HydrophobicContact CE1-CB 3.95Å; F92-N94 HydrophobicContact CZ-CB 4.19Å; N94-W138 PolarHBondContact OD1-NE1 3.04Å; N94-N142 PolarHBondContact ND2-ND2 3.15Å; N94-N142 PolarHBondContact OD1-ND2 2.75Å
95	D	98.4	Very high	97.9	Very high	52 Å²	52	57.5 Å²	57.5	28%	0.278	26%	0.263	S	S	.	.	S	Bend	trans	-153.5	-176.5	-178.4	61.1	42.5	0	0	0	111.6	F84 S85 F93 R97	F84-D95 CarbonylContact C-O 3.56Å; F84-D95 VanDerWaalsContact CA-O 3.3Å; F84-D95 WeakPolarHBondContact CA-O 3.46Å; S85-D95 WeakPolarHBondContact CB-O 3.35Å; S85-D95 PolarHBondContact N-O 2.99Å; S85-D95 VanDerWaalsContact N-O 3.13Å; S85-D95 PolarHBondContact OG-O 3.02Å; F93-D95 PolarHBondContact O-N 3.37Å; D95-R97 WeakPolarHBondContact OD1-CB 3.1Å; D95-R97 VanDerWaalsContact OD1-CG 3.25Å; D95-R97 WeakPolarHBondContact OD1-CG 3.48Å; D95-R97 IonicContact OD1-CZ 2.67Å; D95-R97 PolarHBondContact OD1-N 3.15Å; D95-R97 VanDerWaalsContact OD1-N 3.13Å; D95-R97 IonicContact OD1-NE 3.89Å; D95-R97 PolarHBondContact OD1-NE 2.99Å; D95-R97 IonicContact OD2-CZ 3.37Å; D95-R97 VanDerWaalsContact OD2-CZ 3.26Å; D95-R97 IonicContact OD2-NE 3.26Å; D95-R97 PolarHBondContact OD2-NE 2.87Å; D95-R97 IonicContact OD2-NH2 3.21Å; D95-R97 PolarHBondContact OD2-NH2 2.67Å
96	S	97.9	Very high	97.6	Very high	68 Å²	68	64.9 Å²	64.9	48%	0.476	30%	0.298	S	S	.	.			trans	-104.1	24	-176.2	64.7	0	0	0	0	114.1	Q98 M99	S96-Q98 PolarHBondContact O-N 2.96Å; S96-Q98 VanDerWaalsContact O-N 3.14Å; S96-M99 VanDerWaalsContact O-CB 3.28Å; S96-M99 WeakPolarHBondContact O-CB 3.31Å; S96-M99 PolarHBondContact O-N 3.23Å
97	R	97.9	Very high	97.1	Very high	133 Å²	133	74.9 Å²	74.9	50%	0.502	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.4	-172.7	73.4	-177.1	62.1	-158.3	-5.4	114.9	S85 F93 D95	S85-R97 PolarHBondContact OG-N 3.11Å; S85-R97 VanDerWaalsContact OG-N 3.13Å; F93-R97 VanDerWaalsContact CG-CZ 3.44Å; D95-R97 WeakPolarHBondContact OD1-CB 3.1Å; D95-R97 VanDerWaalsContact OD1-CG 3.25Å; D95-R97 WeakPolarHBondContact OD1-CG 3.48Å; D95-R97 IonicContact OD1-CZ 2.67Å; D95-R97 PolarHBondContact OD1-N 3.15Å; D95-R97 VanDerWaalsContact OD1-N 3.13Å; D95-R97 IonicContact OD1-NE 3.89Å; D95-R97 PolarHBondContact OD1-NE 2.99Å; D95-R97 IonicContact OD2-CZ 3.37Å; D95-R97 VanDerWaalsContact OD2-CZ 3.26Å; D95-R97 IonicContact OD2-NE 3.26Å; D95-R97 PolarHBondContact OD2-NE 2.87Å; D95-R97 IonicContact OD2-NH2 3.21Å; D95-R97 PolarHBondContact OD2-NH2 2.67Å
98	Q	98.2	Very high	96.9	Very high	44 Å²	44	77.4 Å²	77.4	21%	0.206	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	9.1	178.2	-61.8	-65.3	84.7	0	0	113	S85 L86 S96 R100 E248 F250	S85-Q98 PolarHBondContact OG-N 3.21Å; L86-Q98 WeakPolarHBondContact O-CG 3.47Å; L86-Q98 PolarHBondContact O-NE2 2.92Å; S96-Q98 PolarHBondContact O-N 2.96Å; S96-Q98 VanDerWaalsContact O-N 3.14Å; Q98-R100 PolarHBondContact O-N 3.15Å; Q98-E248 VanDerWaalsContact NE2-CB 3.32Å; Q98-E248 VanDerWaalsContact NE2-CG 3.26Å; Q98-E248 PolarHBondContact NE2-OE1 3.48Å; Q98-E248 VanDerWaalsContact NE2-OE1 3.13Å; Q98-F250 HydrophobicContact CB-CB 4.23Å
99	M	98.1	Very high	96.7	Very high	18 Å²	18	75.8 Å²	75.8	9%	0.089	34%	0.342	C	S	.	.			trans	-67.3	129	173.4	176.7	56.6	66.8	0	0	109.6	S96 F250 R272 Y285	S96-M99 VanDerWaalsContact O-CB 3.28Å; S96-M99 WeakPolarHBondContact O-CB 3.31Å; S96-M99 PolarHBondContact O-N 3.23Å; M99-F250 HydrophobicContact CB-CD2 3.98Å; M99-F250 HydrophobicContact CB-CE2 4.34Å; M99-F250 HydrophobicContact CB-CG 4.34Å; M99-F250 HydrophobicContact CE-CD1 3.22Å; M99-F250 HydrophobicContact CE-CD2 3.81Å; M99-F250 HydrophobicContact CE-CE1 3.02Å; M99-F250 HydrophobicContact CE-CE2 3.61Å; M99-F250 HydrophobicContact CE-CG 3.62Å; M99-F250 HydrophobicContact CE-CZ 3.22Å; M99-F250 HydrophobicContact SD-CD1 4.42Å; M99-R272 HydrophobicContact CE-CB 4.41Å; M99-R272 HydrophobicContact CG-CB 4.36Å; M99-R272 HydrophobicContact SD-CB 3.57Å; M99-R272 VanDerWaalsContact SD-CB 3.57Å; M99-Y285 HydrophobicContact CE-CD1 4.27Å; M99-Y285 HydrophobicContact CE-CE1 3.47Å; M99-Y285 VanDerWaalsContact CE-CE1 3.47Å; M99-Y285 HydrophobicContact SD-CE1 4.45Å
100	R	98.3	Very high	96.6	Very high	63 Å²	63	72.3 Å²	72.3	24%	0.238	34%	0.337	C	S	.	.			trans	-110.3	161.5	172.7	-61.9	176.4	-64.3	-177.9	-2.1	111.3	Q98 E226 C230 A231 D270 C271 R272	Q98-R100 PolarHBondContact O-N 3.15Å; R100-E226 IonicContact CZ-OE2 3.82Å; R100-E226 IonicContact NH1-OE2 2.86Å; R100-E226 IonicContact NH2-OE2 3.81Å; R100-E226 PolarHBondContact NH2-OE2 3.27Å; R100-C230 HydrophobicContact CB-CB 3.88Å; R100-A231 WeakPolarHBondContact CA-O 3.3Å; R100-D270 PolarHBondContact NH2-O 2.97Å; R100-C271 HydrophobicContact CB-CB 4.47Å; R100-C271 CarbonylContact O-C 3.21Å; R100-C271 VanDerWaalsContact O-CA 3.23Å; R100-C271 WeakPolarHBondContact O-CA 3.11Å; R100-C271 VanDerWaalsContact O-CB 3.27Å; R100-C271 WeakPolarHBondContact O-CB 3.19Å; R100-R272 PolarHBondContact O-N 3.28Å
101	Y	98.4	Very high	96.6	Very high	57 Å²	57	71.8 Å²	71.8	22%	0.224	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.5	-174.2	-63.8	-88	0	0	0	111.4	V103 C230 A231 T234 R272 R274	Y101-V103 PolarHBondContact O-N 3.31Å; Y101-C230 CarbonylContact O-C 3.52Å; Y101-C230 VanDerWaalsContact O-CA 3.29Å; Y101-C230 WeakPolarHBondContact O-CA 3.23Å; Y101-A231 PolarHBondContact N-O 3.03Å; Y101-A231 PolarHBondContact O-N 3.29Å; Y101-T234 HydrophobicContact CD1-CG2 3.68Å; Y101-T234 HydrophobicContact CD2-CG2 4.46Å; Y101-T234 HydrophobicContact CE1-CG2 3.53Å; Y101-T234 HydrophobicContact CE2-CG2 4.38Å; Y101-T234 HydrophobicContact CG-CG2 4.13Å; Y101-R272 CarbonylContact C-O 3.48Å; Y101-R272 WeakPolarHBondContact CA-O 3.47Å; Y101-R274 HydrophobicContact CD1-CB 4.46Å
102	Y	98.4	Very high	96.6	Very high	11 Å²	11	69 Å²	69	4%	0.043	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	127.5	177.7	177.1	-107.1	0	0	0	110.6	E104 M229 R272 V286 L288 V324	Y102-E104 HydrophobicContact CE1-CB 3.83Å; Y102-E104 HydrophobicContact CE1-CG 4.44Å; Y102-M229 HydrophobicContact CD2-CE 4.37Å; Y102-M229 HydrophobicContact CE2-CE 3.46Å; Y102-M229 VanDerWaalsContact CE2-CE 3.46Å; Y102-R272 PolarHBondContact N-O 3.03Å; Y102-V286 HydrophobicContact CD2-CG1 4.06Å; Y102-V286 HydrophobicContact CE2-CG1 4.33Å; Y102-V286 HydrophobicContact CG-CG1 4.46Å; Y102-V286 HydrophobicContact CG-CG2 4.29Å; Y102-L288 HydrophobicContact CD2-CD2 4.17Å; Y102-L288 HydrophobicContact CE2-CD2 4.18Å; Y102-V324 HydrophobicContact CE2-CB 4.26Å; Y102-V324 HydrophobicContact CE2-CG1 4.16Å; Y102-V324 HydrophobicContact CE2-CG2 3.9Å
103	V	97.4	Very high	96.6	Very high	12 Å²	12	67 Å²	67	7%	0.073	32%	0.322	C	S	.	.			trans	-115.5	118	171.2	-178.6	0	0	0	0	107.9	Y101 P105 M229 A231 P238	Y101-V103 PolarHBondContact O-N 3.31Å; V103-P105 WeakPolarHBondContact O-CD 3.37Å; V103-M229 PolarHBondContact N-O 3.36Å; V103-A231 HydrophobicContact CG2-CB 3.77Å; V103-P238 HydrophobicContact CB-CG 3.8Å; V103-P238 HydrophobicContact CG1-CG 4.13Å; V103-P238 HydrophobicContact CG2-CG 3.95Å
104	E	95.3	Very high	96.6	Very high	139 Å²	139	70.1 Å²	70.1	65%	0.65	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-70	121.9	179.3	-173.6	161.1	-135.1	0	0	109.9	Y102	Y102-E104 HydrophobicContact CE1-CB 3.83Å; Y102-E104 HydrophobicContact CE1-CG 4.44Å
105	P	93.8	Very high	96.6	Very high	30 Å²	30	69.5 Å²	69.5	20%	0.195	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-83.8	173.6	-179.9	38.3	-39.9	0	0	0	110.6	V103 P109 F111 M229 V337	V103-P105 WeakPolarHBondContact O-CD 3.37Å; P105-P109 HydrophobicContact CB-CB 4.23Å; P105-F111 HydrophobicContact CB-CE2 3.95Å; P105-F111 HydrophobicContact CB-CZ 3.74Å; P105-F111 HydrophobicContact CG-CE2 4.48Å; P105-M229 HydrophobicContact CB-SD 4.11Å; P105-M229 HydrophobicContact CG-CE 3.65Å; P105-M229 HydrophobicContact CG-SD 3.59Å; P105-M229 VanDerWaalsContact CG-SD 3.59Å; P105-V337 HydrophobicContact CG-CB 4.32Å; P105-V337 HydrophobicContact CG-CG1 4.28Å; P105-V337 HydrophobicContact CG-CG2 3.99Å
106	E	92.4	Very high	96.6	Very high	156 Å²	156	67.1 Å²	67.1	73%	0.729	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-59.8	154.9	159.8	-64.3	-171.6	177.6	0	0	111.1	S108 P109	E106-S108 PolarHBondContact O-N 2.66Å; E106-S108 VanDerWaalsContact O-N 3.15Å; E106-P109 WeakPolarHBondContact O-CD 3.46Å
107	R	89	Confident	96.5	Very high	210 Å²	210	64.9 Å²	64.9	79%	0.792	30%	0.299	S	S	*	.	S	Bend	trans	-59	-31.5	-177.9	-173.3	176	179.4	-176.5	-0.6	113.1	S336 V337	R107-S336 CarbonylContact O-C 3.57Å; R107-S336 VanDerWaalsContact O-CA 3.26Å; R107-S336 WeakPolarHBondContact O-CA 3.49Å; R107-V337 PolarHBondContact O-N 3.05Å
108	S	92.7	Very high	96.4	Very high	66 Å²	66	67.1 Å²	67.1	46%	0.462	31%	0.312	S	S	.	.	S	Bend	trans	-128.6	79.3	180	-73.2	0	0	0	0	110.2	E106 V335	E106-S108 PolarHBondContact O-N 2.66Å; E106-S108 VanDerWaalsContact O-N 3.15Å; S108-V335 WeakPolarHBondContact CA-O 3.43Å; S108-V335 VanDerWaalsContact CB-O 3.3Å; S108-V335 WeakPolarHBondContact CB-O 3.34Å; S108-V335 PolarHBondContact OG-O 3.22Å
109	P	94.2	Very high	96.4	Very high	24 Å²	24	72.1 Å²	72.1	16%	0.156	34%	0.335	C	S	.	.			trans	-84.1	-13.3	-164.3	32.1	-35.7	0	0	0	115.1	P105 E106 F111 V334 V337	P105-P109 HydrophobicContact CB-CB 4.23Å; E106-P109 WeakPolarHBondContact O-CD 3.46Å; P109-F111 VanDerWaalsContact C-N 3.3Å; P109-F111 HydrophobicContact CB-CD1 3.83Å; P109-F111 HydrophobicContact CB-CD2 3.79Å; P109-F111 HydrophobicContact CB-CE1 3.54Å; P109-F111 HydrophobicContact CB-CE2 3.48Å; P109-F111 VanDerWaalsContact CB-CE2 3.48Å; P109-F111 HydrophobicContact CB-CG 3.96Å; P109-F111 HydrophobicContact CB-CZ 3.37Å; P109-F111 HydrophobicContact CG-CD1 4.39Å; P109-F111 HydrophobicContact CG-CD2 3.5Å; P109-F111 HydrophobicContact CG-CE1 4.36Å; P109-F111 HydrophobicContact CG-CE2 3.45Å; P109-F111 VanDerWaalsContact CG-CE2 3.45Å; P109-F111 HydrophobicContact CG-CG 4Å; P109-F111 HydrophobicContact CG-CZ 3.93Å; P109-F111 PolarHBondContact O-N 2.92Å; P109-V334 HydrophobicContact CG-CG1 4.1Å; P109-V337 HydrophobicContact CG-CG2 3.93Å
110	N	96.9	Very high	96.4	Very high	110 Å²	110	73.7 Å²	73.7	59%	0.588	34%	0.34	S	S	*	.			trans	55.4	38.9	-177.8	-55.9	-55.9	0	0	0	114	D112 T333 V334	N110-D112 PolarHBondContact O-N 3.06Å; N110-T333 HydrophobicContact CB-CG2 4.24Å; N110-V334 VanDerWaalsContact CA-O 3.23Å; N110-V334 WeakPolarHBondContact CA-O 3.46Å; N110-V334 PolarHBondContact N-O 2.79Å
111	F	98.3	Very high	96.3	Very high	33 Å²	33	72.5 Å²	72.5	15%	0.145	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	123.3	178.5	-59.5	-39.2	0	0	0	111.7	P105 P109 L113 F225 Y228 M229 T333 V334	P105-F111 HydrophobicContact CB-CE2 3.95Å; P105-F111 HydrophobicContact CB-CZ 3.74Å; P105-F111 HydrophobicContact CG-CE2 4.48Å; P109-F111 VanDerWaalsContact C-N 3.3Å; P109-F111 HydrophobicContact CB-CD1 3.83Å; P109-F111 HydrophobicContact CB-CD2 3.79Å; P109-F111 HydrophobicContact CB-CE1 3.54Å; P109-F111 HydrophobicContact CB-CE2 3.48Å; P109-F111 VanDerWaalsContact CB-CE2 3.48Å; P109-F111 HydrophobicContact CB-CG 3.96Å; P109-F111 HydrophobicContact CB-CZ 3.37Å; P109-F111 HydrophobicContact CG-CD1 4.39Å; P109-F111 HydrophobicContact CG-CD2 3.5Å; P109-F111 HydrophobicContact CG-CE1 4.36Å; P109-F111 HydrophobicContact CG-CE2 3.45Å; P109-F111 VanDerWaalsContact CG-CE2 3.45Å; P109-F111 HydrophobicContact CG-CG 4Å; P109-F111 HydrophobicContact CG-CZ 3.93Å; P109-F111 PolarHBondContact O-N 2.92Å; F111-L113 PolarHBondContact O-N 2.92Å; F111-F225 HydrophobicContact CD2-CD2 4.36Å; F111-F225 HydrophobicContact CD2-CE2 4.26Å; F111-Y228 HydrophobicContact CB-CD1 4.08Å; F111-Y228 HydrophobicContact CB-CD2 3.7Å; F111-Y228 HydrophobicContact CB-CE1 4.24Å; F111-Y228 HydrophobicContact CB-CE2 3.87Å; F111-Y228 HydrophobicContact CB-CG 3.82Å; F111-Y228 AromaticContact CD1-CD1 3.39Å; F111-Y228 HydrophobicContact CD1-CD1 3.39Å; F111-Y228 HydrophobicContact CD1-CD2 4.5Å; F111-Y228 AromaticContact CD1-CE1 3.88Å; F111-Y228 HydrophobicContact CD1-CE1 3.88Å; F111-Y228 AromaticContact CD1-CG 3.76Å; F111-Y228 HydrophobicContact CD1-CG 3.76Å; F111-Y228 HydrophobicContact CD2-CD1 4.5Å; F111-Y228 HydrophobicContact CD2-CG 4.05Å; F111-Y228 AromaticContact CE1-CD1 3.81Å; F111-Y228 HydrophobicContact CE1-CD1 3.81Å; F111-Y228 HydrophobicContact CE1-CG 4.25Å; F111-Y228 AromaticContact CG-CD1 3.77Å; F111-Y228 HydrophobicContact CG-CD1 3.77Å; F111-Y228 HydrophobicContact CG-CD2 4.05Å; F111-Y228 HydrophobicContact CG-CE1 4.32Å; F111-Y228 AromaticContact CG-CG 3.63Å; F111-Y228 HydrophobicContact CG-CG 3.63Å; F111-M229 HydrophobicContact CE2-SD 3.7Å; F111-M229 HydrophobicContact CZ-SD 4.48Å; F111-T333 CarbonylContact O-C 3.57Å; F111-T333 VanDerWaalsContact O-CA 3.3Å; F111-T333 WeakPolarHBondContact O-CA 3.4Å; F111-V334 HydrophobicContact CB-CB 4.03Å; F111-V334 HydrophobicContact CB-CG2 4.14Å; F111-V334 HydrophobicContact CD2-CB 4.3Å; F111-V334 PolarHBondContact N-O 3.13Å; F111-V334 PolarHBondContact O-N 3.34Å
112	D	98.3	Very high	96.3	Very high	69 Å²	69	72.8 Å²	72.8	37%	0.369	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	102.2	174.4	179.3	5.7	0	0	0	110.9	N110 R114 D115 Y228	N110-D112 PolarHBondContact O-N 3.06Å; D112-R114 PolarHBondContact O-N 3.03Å; D112-R114 VanDerWaalsContact OD1-CB 3.31Å; D112-R114 WeakPolarHBondContact OD1-CB 3.46Å; D112-R114 PolarHBondContact OD1-N 2.83Å; D112-D115 HydrophobicContact CB-CB 4.42Å; D112-D115 WeakPolarHBondContact O-CB 3.47Å; D112-D115 PolarHBondContact O-N 3.17Å; D112-Y228 WeakPolarHBondContact O-CE2 3.3Å; D112-Y228 PolarHBondContact O-OH 2.74Å; D112-Y228 VanDerWaalsContact O-OH 3.07Å
113	L	98.6	Very high	96.3	Very high	0 Å²	0	77 Å²	77	0%	0	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-7.1	-179.1	-56.5	180	0	0	0	113.6	F111 Y220 W221 K224 F225 Y228 T290 R328 G332 V334	F111-L113 PolarHBondContact O-N 2.92Å; L113-Y220 VanDerWaalsContact O-CD1 3.31Å; L113-Y220 WeakPolarHBondContact O-CD1 3.4Å; L113-Y220 WeakPolarHBondContact O-CE1 3.35Å; L113-W221 HydrophobicContact CB-CB 3.84Å; L113-W221 HydrophobicContact CB-CD2 4.26Å; L113-W221 HydrophobicContact CB-CG 3.67Å; L113-W221 HydrophobicContact CD1-CB 3.88Å; L113-W221 HydrophobicContact CD1-CG 4.29Å; L113-W221 HydrophobicContact CG-CB 4.46Å; L113-K224 HydrophobicContact CD2-CG 4.41Å; L113-F225 HydrophobicContact CD2-CB 3.74Å; L113-F225 HydrophobicContact CD2-CD2 4.35Å; L113-Y228 HydrophobicContact CD2-CD2 4.16Å; L113-Y228 HydrophobicContact CD2-CE2 4.37Å; L113-T290 HydrophobicContact CD1-CG2 4.07Å; L113-R328 HydrophobicContact CD1-CB 4.33Å; L113-G332 WeakPolarHBondContact CB-O 3.5Å; L113-G332 WeakPolarHBondContact CG-O 3.49Å; L113-G332 PolarHBondContact N-O 3.43Å; L113-V334 HydrophobicContact CD1-CG2 3.68Å; L113-V334 HydrophobicContact CD2-CG2 3.79Å; L113-V334 HydrophobicContact CG-CG2 3.77Å
114	R	97.9	Very high	96.3	Very high	112 Å²	112	80.4 Å²	80.4	42%	0.423	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-20.2	179.4	-58.5	177.6	70.8	-168.7	3.5	112.5	D112 G116 Y117 E217 W221 D331	D112-R114 PolarHBondContact O-N 3.03Å; D112-R114 VanDerWaalsContact OD1-CB 3.31Å; D112-R114 WeakPolarHBondContact OD1-CB 3.46Å; D112-R114 PolarHBondContact OD1-N 2.83Å; R114-G116 PolarHBondContact O-N 2.95Å; R114-Y117 WeakPolarHBondContact O-CB 3.47Å; R114-Y117 PolarHBondContact O-N 3.24Å; R114-E217 IonicContact CZ-OE1 3.82Å; R114-E217 IonicContact NE-OE1 3.73Å; R114-E217 PolarHBondContact NE-OE1 2.91Å; R114-E217 IonicContact NH2-OE1 3.98Å; R114-E217 PolarHBondContact NH2-OE1 3.28Å; R114-W221 HydrophobicContact CG-CZ2 3.87Å; R114-D331 WeakPolarHBondContact CD-O 3.27Å
115	D	98.3	Very high	96.3	Very high	52 Å²	52	77.7 Å²	77.7	28%	0.278	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	120.8	177.9	170.4	55.4	0	0	0	110.9	D112 R120 Y220 K224	D112-D115 HydrophobicContact CB-CB 4.42Å; D112-D115 WeakPolarHBondContact O-CB 3.47Å; D112-D115 PolarHBondContact O-N 3.17Å; D115-R120 IonicContact OD1-NH2 2.77Å; D115-R120 PolarHBondContact OD1-NH2 3.03Å; D115-R120 IonicContact OD2-CZ 2.83Å; D115-R120 IonicContact OD2-NH1 2.64Å; D115-R120 IonicContact OD2-NH2 2.81Å; D115-R120 PolarHBondContact OD2-NH2 3.26Å; D115-Y220 WeakPolarHBondContact O-CE1 3.35Å; D115-Y220 PolarHBondContact O-OH 2.83Å; D115-K224 WeakPolarHBondContact O-CE 3.2Å; D115-K224 PolarHBondContact O-NZ 3.41Å; D115-K224 WeakPolarHBondContact OD2-CE 3.28Å; D115-K224 IonicContact OD2-NZ 2.71Å; D115-K224 PolarHBondContact OD2-NZ 3.34Å
116	G	97.6	Very high	96.3	Very high	3 Å²	3	79.8 Å²	79.8	3%	0.031	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-0.1	178.4	0	0	0	0	0	116.5	R114 K118 E119 R120 Y220	R114-G116 PolarHBondContact O-N 2.95Å; G116-K118 VanDerWaalsContact C-N 3.25Å; G116-K118 PolarHBondContact O-N 3.11Å; G116-E119 PolarHBondContact O-N 2.89Å; G116-R120 CarbonylContact O-C 3.54Å; G116-R120 WeakPolarHBondContact O-CA 3.3Å; G116-R120 PolarHBondContact O-N 3.25Å; G116-Y220 VanDerWaalsContact C-OH 3.23Å; G116-Y220 WeakPolarHBondContact CA-OH 3.45Å
117	Y	97.8	Very high	96.5	Very high	21 Å²	21	77.2 Å²	77.2	8%	0.082	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.9	-176.4	177.4	-118.2	0	0	0	113.7	R114 Y121 K123 E213 K216 E217 Y220	R114-Y117 WeakPolarHBondContact O-CB 3.47Å; R114-Y117 PolarHBondContact O-N 3.24Å; Y117-Y121 AromaticContact CD2-CD1 3.65Å; Y117-Y121 HydrophobicContact CD2-CD1 3.65Å; Y117-Y121 HydrophobicContact CD2-CE1 4.13Å; Y117-Y121 AromaticContact CE2-CD1 3.62Å; Y117-Y121 HydrophobicContact CE2-CD1 3.62Å; Y117-Y121 AromaticContact CE2-CE1 3.75Å; Y117-Y121 HydrophobicContact CE2-CE1 3.75Å; Y117-Y121 WeakPolarHBondContact O-CB 3.26Å; Y117-K123 PolarHBondContact OH-NZ 2.84Å; Y117-E213 WeakPolarHBondContact CE1-OE1 3.47Å; Y117-E213 PolarHBondContact OH-OE1 3.42Å; Y117-K216 WeakPolarHBondContact OH-CB 3.24Å; Y117-E217 HydrophobicContact CD1-CB 4.25Å; Y117-E217 HydrophobicContact CD1-CG 3.9Å; Y117-E217 HydrophobicContact CD2-CG 4.46Å; Y117-E217 HydrophobicContact CE1-CB 3.87Å; Y117-E217 HydrophobicContact CE1-CG 4.05Å; Y117-E217 HydrophobicContact CE2-CB 4.25Å; Y117-E217 HydrophobicContact CG-CG 4.14Å; Y117-E217 PolarHBondContact OH-N 2.88Å; Y117-Y220 VanDerWaalsContact CD2-CB 3.42Å; Y117-Y220 AromaticContact CD2-CD1 3.7Å; Y117-Y220 HydrophobicContact CD2-CD1 3.7Å; Y117-Y220 AromaticContact CD2-CD2 3.98Å; Y117-Y220 HydrophobicContact CD2-CD2 3.98Å; Y117-Y220 HydrophobicContact CD2-CE1 4.44Å; Y117-Y220 AromaticContact CD2-CG 3.44Å; Y117-Y220 HydrophobicContact CD2-CG 3.44Å; Y117-Y220 VanDerWaalsContact CD2-CG 3.44Å; Y117-Y220 HydrophobicContact CE2-CG 4.22Å; Y117-Y220 HydrophobicContact CG-CD1 4.16Å; Y117-Y220 HydrophobicContact CG-CG 4.34Å; Y117-Y220 PolarHBondContact N-OH 3.34Å
118	K	95.6	Very high	96.8	Very high	179 Å²	179	71.4 Å²	71.4	78%	0.778	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-37.2	-176.4	-67.4	-179.6	-178.5	177.9	0	112.7	G116	G116-K118 VanDerWaalsContact C-N 3.25Å; G116-K118 PolarHBondContact O-N 3.11Å
119	E	96.6	Very high	97	Very high	149 Å²	149	72.8 Å²	72.8	70%	0.696	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-27.6	-169.4	-52.1	78.3	-165.5	0	0	113.6	G116	G116-E119 PolarHBondContact O-N 2.89Å
120	R	97.9	Very high	97.1	Very high	52 Å²	52	73.2 Å²	73.2	20%	0.196	35%	0.347	C	S	.	.	S	Bend	trans	-127.9	34.5	-168.9	-70.4	-172.1	-70.8	121.8	-8.5	113.1	D115 G116 P240 S241 G242 V243 V244	D115-R120 IonicContact OD1-NH2 2.77Å; D115-R120 PolarHBondContact OD1-NH2 3.03Å; D115-R120 IonicContact OD2-CZ 2.83Å; D115-R120 IonicContact OD2-NH1 2.64Å; D115-R120 IonicContact OD2-NH2 2.81Å; D115-R120 PolarHBondContact OD2-NH2 3.26Å; G116-R120 CarbonylContact O-C 3.54Å; G116-R120 WeakPolarHBondContact O-CA 3.3Å; G116-R120 PolarHBondContact O-N 3.25Å; R120-P240 PolarHBondContact NH1-O 3.04Å; R120-S241 WeakPolarHBondContact CD-O 3.11Å; R120-S241 VanDerWaalsContact CZ-O 3.26Å; R120-S241 PolarHBondContact NE-O 3.07Å; R120-S241 PolarHBondContact NH1-O 3.13Å; R120-G242 PolarHBondContact NH1-O 3.1Å; R120-V243 HydrophobicContact CB-CG2 4.39Å; R120-V243 HydrophobicContact CG-CG2 4.45Å; R120-V244 PolarHBondContact O-N 2.81Å
121	Y	98.3	Very high	97.1	Very high	38 Å²	38	71.8 Å²	71.8	15%	0.149	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	111.8	178.7	-173	-165.1	0	0	0	112.5	Y117 K123 Y220 V244 T246	Y117-Y121 AromaticContact CD2-CD1 3.65Å; Y117-Y121 HydrophobicContact CD2-CD1 3.65Å; Y117-Y121 HydrophobicContact CD2-CE1 4.13Å; Y117-Y121 AromaticContact CE2-CD1 3.62Å; Y117-Y121 HydrophobicContact CE2-CD1 3.62Å; Y117-Y121 AromaticContact CE2-CE1 3.75Å; Y117-Y121 HydrophobicContact CE2-CE1 3.75Å; Y117-Y121 WeakPolarHBondContact O-CB 3.26Å; Y121-K123 HydrophobicContact CD1-CD 4.13Å; Y121-K123 HydrophobicContact CD1-CG 3.97Å; Y121-K123 HydrophobicContact CD2-CG 4.06Å; Y121-K123 HydrophobicContact CE1-CD 3.62Å; Y121-K123 HydrophobicContact CE1-CG 3.66Å; Y121-K123 HydrophobicContact CE2-CB 4.47Å; Y121-K123 HydrophobicContact CE2-CG 3.73Å; Y121-K123 HydrophobicContact CG-CG 4.16Å; Y121-Y220 AromaticContact CD1-CD2 3.42Å; Y121-Y220 HydrophobicContact CD1-CD2 3.42Å; Y121-Y220 VanDerWaalsContact CD1-CD2 3.42Å; Y121-Y220 HydrophobicContact CD1-CE2 4.14Å; Y121-Y220 HydrophobicContact CD1-CG 4.07Å; Y121-Y220 AromaticContact CD2-CD2 3.69Å; Y121-Y220 HydrophobicContact CD2-CD2 3.69Å; Y121-Y220 HydrophobicContact CD2-CE2 4.05Å; Y121-Y220 AromaticContact CE1-CD2 3.71Å; Y121-Y220 HydrophobicContact CE1-CD2 3.71Å; Y121-Y220 HydrophobicContact CE1-CG 4.13Å; Y121-Y220 AromaticContact CE2-CD2 3.99Å; Y121-Y220 HydrophobicContact CE2-CD2 3.99Å; Y121-Y220 AromaticContact CG-CD2 3.43Å; Y121-Y220 HydrophobicContact CG-CD2 3.43Å; Y121-Y220 VanDerWaalsContact CG-CD2 3.43Å; Y121-Y220 AromaticContact CG-CE2 3.76Å; Y121-Y220 HydrophobicContact CG-CE2 3.76Å; Y121-Y220 HydrophobicContact CG-CG 4.47Å; Y121-Y220 AromaticContact CZ-CD2 3.99Å; Y121-V244 HydrophobicContact CD2-CB 4.38Å; Y121-V244 HydrophobicContact CD2-CG1 4.18Å; Y121-V244 WeakPolarHBondContact CD2-O 3.21Å; Y121-V244 HydrophobicContact CE2-CG1 4.34Å; Y121-T246 HydrophobicContact CE2-CG2 3.73Å
122	V	98.3	Very high	97.2	Very high	63 Å²	63	70.2 Å²	70.2	38%	0.382	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	112.7	170.8	179.4	0	0	0	0	109.1	V243 V244 N245 T246	V122-V243 HydrophobicContact CB-CG1 4.46Å; V122-V243 HydrophobicContact CG2-CG1 3.79Å; V122-V244 PolarHBondContact N-O 3.19Å; V122-N245 HydrophobicContact CB-CB 4.11Å; V122-N245 WeakPolarHBondContact CG1-OD1 3.47Å; V122-N245 WeakPolarHBondContact O-CA 3.47Å; V122-T246 PolarHBondContact O-N 3Å; V122-T246 PolarHBondContact O-OG1 3.01Å
123	K	96.8	Very high	97.2	Very high	100 Å²	100	69 Å²	69	44%	0.435	32%	0.322	S	S	.	.			trans	-91.1	131.7	-179.2	-49.1	-164.7	-166.7	-163.8	0	110.6	Y117 Y121 T246	Y117-K123 PolarHBondContact OH-NZ 2.84Å; Y121-K123 HydrophobicContact CD1-CD 4.13Å; Y121-K123 HydrophobicContact CD1-CG 3.97Å; Y121-K123 HydrophobicContact CD2-CG 4.06Å; Y121-K123 HydrophobicContact CE1-CD 3.62Å; Y121-K123 HydrophobicContact CE1-CG 3.66Å; Y121-K123 HydrophobicContact CE2-CB 4.47Å; Y121-K123 HydrophobicContact CE2-CG 3.73Å; Y121-K123 HydrophobicContact CG-CG 4.16Å; K123-T246 WeakPolarHBondContact CA-OG1 3.49Å
124	R	97.2	Very high	97.2	Very high	82 Å²	82	69.3 Å²	69.3	31%	0.309	32%	0.324	S	S	.	.			trans	-59.2	137.5	163.2	-178.4	172.9	67.9	118.3	4.7	110	E126 E130 T246 N247	R124-E126 PolarHBondContact O-N 2.9Å; R124-E126 VanDerWaalsContact O-N 3.15Å; R124-E130 IonicContact CZ-OE2 3.36Å; R124-E130 IonicContact NH1-OE2 3.82Å; R124-E130 PolarHBondContact NH1-OE2 2.75Å; R124-T246 WeakPolarHBondContact CB-O 3.37Å; R124-T246 PolarHBondContact N-OG1 3.19Å; R124-N247 WeakPolarHBondContact CA-OD1 3.44Å
125	D	96.6	Very high	97.2	Very high	83 Å²	83	64 Å²	64	44%	0.444	30%	0.304	S	S	.	.			trans	-73.2	104.2	176.9	-175.2	2	0	0	0	111.1	N127 V128	D125-N127 PolarHBondContact O-N 3.14Å; D125-N127 VanDerWaalsContact OD1-CB 3.27Å; D125-N127 WeakPolarHBondContact OD1-CB 3.18Å; D125-N127 PolarHBondContact OD1-N 2.82Å; D125-N127 PolarHBondContact OD1-ND2 3.06Å; D125-V128 HydrophobicContact CB-CG2 4.15Å; D125-V128 PolarHBondContact O-N 3.12Å
126	E	94.1	Very high	97.2	Very high	73 Å²	73	61.5 Å²	61.5	34%	0.341	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-8.1	179.2	-61	-178.1	109.5	0	0	113.7	R124 K129 R211	R124-E126 PolarHBondContact O-N 2.9Å; R124-E126 VanDerWaalsContact O-N 3.15Å; E126-K129 PolarHBondContact O-NZ 2.96Å; E126-R211 IonicContact OE1-NH1 2.6Å; E126-R211 PolarHBondContact OE1-NH1 2.79Å; E126-R211 IonicContact OE2-NH1 2.93Å; E126-R211 PolarHBondContact OE2-NH1 3.32Å
127	N	95.3	Very high	97.3	Very high	102 Å²	102	66 Å²	66	55%	0.545	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-22.7	173.3	-57.4	-62.2	0	0	0	112.2	D125 K129 R208	D125-N127 PolarHBondContact O-N 3.14Å; D125-N127 VanDerWaalsContact OD1-CB 3.27Å; D125-N127 WeakPolarHBondContact OD1-CB 3.18Å; D125-N127 PolarHBondContact OD1-N 2.82Å; D125-N127 PolarHBondContact OD1-ND2 3.06Å; N127-K129 PolarHBondContact O-N 3.22Å; N127-R208 PolarHBondContact OD1-NH1 3.37Å; N127-R208 PolarHBondContact OD1-NH2 2.99Å
128	V	96.4	Very high	97.3	Very high	88 Å²	88	65 Å²	65	53%	0.533	30%	0.303	S	S	.	.	S	Bend	trans	-78.5	106.7	174.3	-178.5	0	0	0	0	109	D125 E130	D125-V128 HydrophobicContact CB-CG2 4.15Å; D125-V128 PolarHBondContact O-N 3.12Å; V128-E130 HydrophobicContact CG1-CG 4.4Å; V128-E130 PolarHBondContact O-N 2.71Å
129	K	95.8	Very high	97.4	Very high	96 Å²	96	56.5 Å²	56.5	42%	0.417	27%	0.266	S	S	.	.			trans	-86.8	93.7	179.6	-54.9	-51.6	-174.4	-174.1	0	110.3	E126 N127 K131 E200	E126-K129 PolarHBondContact O-NZ 2.96Å; N127-K129 PolarHBondContact O-N 3.22Å; K129-K131 HydrophobicContact CB-CG 4.46Å; K129-K131 PolarHBondContact O-N 2.85Å; K129-E200 VanDerWaalsContact CE-OE2 3.22Å; K129-E200 WeakPolarHBondContact CE-OE2 3.46Å; K129-E200 VanDerWaalsContact NZ-CD 3.3Å; K129-E200 IonicContact NZ-OE1 2.68Å; K129-E200 PolarHBondContact NZ-OE1 3.14Å; K129-E200 IonicContact NZ-OE2 3.87Å; K129-E200 PolarHBondContact NZ-OE2 2.85Å
130	E	96.9	Very high	97.4	Very high	33 Å²	33	51.8 Å²	51.8	15%	0.154	25%	0.245	C	C	.	.			trans	-70	-15.9	180	-56.1	177.9	120.3	0	0	113.6	R90 R124 V128 L132 D133 H134	R90-E130 WeakPolarHBondContact CG-OE1 3.5Å; R90-E130 IonicContact CZ-OE1 2.83Å; R90-E130 IonicContact CZ-OE2 3.72Å; R90-E130 IonicContact NE-OE1 3.76Å; R90-E130 PolarHBondContact NE-OE1 3.43Å; R90-E130 IonicContact NE-OE2 3.87Å; R90-E130 PolarHBondContact NE-OE2 2.74Å; R90-E130 IonicContact NH2-OE1 3.45Å; R90-E130 IonicContact NH2-OE2 3.73Å; R90-E130 PolarHBondContact NH2-OE2 2.85Å; R124-E130 IonicContact CZ-OE2 3.36Å; R124-E130 IonicContact NH1-OE2 3.82Å; R124-E130 PolarHBondContact NH1-OE2 2.75Å; V128-E130 HydrophobicContact CG1-CG 4.4Å; V128-E130 PolarHBondContact O-N 2.71Å; E130-L132 PolarHBondContact O-N 3.29Å; E130-D133 VanDerWaalsContact O-CB 3.23Å; E130-D133 WeakPolarHBondContact O-CB 3.38Å; E130-D133 PolarHBondContact O-N 3.48Å; E130-H134 IonicContact OE1-CD2 3.93Å; E130-H134 IonicContact OE1-CE1 2.92Å; E130-H134 IonicContact OE1-NE2 3.06Å; E130-H134 PolarHBondContact OE1-NE2 2.92Å; E130-H134 IonicContact OE2-NE2 2.66Å
131	K	97.7	Very high	97.3	Very high	80 Å²	80	52 Å²	52	35%	0.348	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	-121.8	-179.9	-54	-174.1	-165.8	172.5	0	111	K129 W165 S406 F407	K129-K131 HydrophobicContact CB-CG 4.46Å; K129-K131 PolarHBondContact O-N 2.85Å; K131-W165 PolarHBondContact O-NE1 2.72Å; K131-S406 PolarHBondContact NZ-O 3.25Å; K131-F407 HydrophobicContact CD-CB 3.43Å; K131-F407 VanDerWaalsContact CD-CB 3.43Å
132	L	98.6	Very high	97.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	5.1	177.7	-60.3	-174.8	0	0	0	113.5	E130 H134 I135 L136 W165 Y195 F407	E130-L132 PolarHBondContact O-N 3.29Å; L132-H134 VanDerWaalsContact C-N 3.29Å; L132-H134 PolarHBondContact O-N 2.86Å; L132-I135 HydrophobicContact CB-CG2 3.98Å; L132-I135 HydrophobicContact CD2-CG2 4.36Å; L132-I135 WeakPolarHBondContact O-CG2 3.27Å; L132-I135 PolarHBondContact O-N 3.2Å; L132-I135 VanDerWaalsContact O-N 3.12Å; L132-L136 HydrophobicContact CB-CD1 4Å; L132-L136 HydrophobicContact CB-CD2 4.49Å; L132-L136 HydrophobicContact CB-CG 3.9Å; L132-L136 VanDerWaalsContact O-CG 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.45Å; L132-L136 PolarHBondContact O-N 2.85Å; L132-W165 VanDerWaalsContact CD2-CD1 3.44Å; L132-W165 HydrophobicContact CD2-CG 4.24Å; L132-Y195 HydrophobicContact CD1-CD1 4.35Å; L132-F407 HydrophobicContact CD1-CD2 4.1Å; L132-F407 HydrophobicContact CD1-CE2 3.68Å; L132-F407 HydrophobicContact CG-CD2 4.39Å; L132-F407 HydrophobicContact CG-CE2 4.43Å
133	D	98.5	Very high	96.6	Very high	42 Å²	42	49.3 Å²	49.3	23%	0.225	24%	0.241	C	C	.	.	H	α-helix	trans	-52.5	-42.9	-163.8	-72.3	4.6	0	0	0	113.7	E130 L136 R137 W411	E130-D133 VanDerWaalsContact O-CB 3.23Å; E130-D133 WeakPolarHBondContact O-CB 3.38Å; E130-D133 PolarHBondContact O-N 3.48Å; D133-L136 PolarHBondContact O-N 2.89Å; D133-R137 WeakPolarHBondContact O-CG 3.24Å; D133-R137 PolarHBondContact O-N 3.2Å; D133-W411 HydrophobicContact CB-CZ2 4.35Å
134	H	98.7	Very high	96	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.037	26%	0.255	C	S	.	.	H	α-helix	trans	-70.4	-40.6	-177.2	-61.1	-49.1	0	0	0	113.5	F84 F92 E130 L132 L136 R137 W138 W165	F84-H134 HydrophobicContact CE2-CB 3.84Å; F84-H134 HydrophobicContact CZ-CB 4.16Å; F92-H134 HydrophobicContact CD2-CB 4.26Å; F92-H134 WeakPolarHBondContact CE2-O 3.46Å; E130-H134 IonicContact OE1-CD2 3.93Å; E130-H134 IonicContact OE1-CE1 2.92Å; E130-H134 IonicContact OE1-NE2 3.06Å; E130-H134 PolarHBondContact OE1-NE2 2.92Å; E130-H134 IonicContact OE2-NE2 2.66Å; L132-H134 VanDerWaalsContact C-N 3.29Å; L132-H134 PolarHBondContact O-N 2.86Å; H134-L136 VanDerWaalsContact C-N 3.33Å; H134-R137 PolarHBondContact O-N 3.21Å; H134-W138 PolarHBondContact O-N 2.8Å; H134-W165 HydrophobicContact CB-CH2 4.13Å; H134-W165 HydrophobicContact CB-CZ2 4.23Å
135	I	98.6	Very high	95.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.2	-34.3	173.7	-174.1	174.4	0	0	0	110.9	L132 W138 I139 V163 W165	L132-I135 HydrophobicContact CB-CG2 3.98Å; L132-I135 HydrophobicContact CD2-CG2 4.36Å; L132-I135 WeakPolarHBondContact O-CG2 3.27Å; L132-I135 PolarHBondContact O-N 3.2Å; L132-I135 VanDerWaalsContact O-N 3.12Å; I135-W138 WeakPolarHBondContact O-CB 3.38Å; I135-W138 PolarHBondContact O-N 2.82Å; I135-I139 HydrophobicContact CG1-CD1 4.31Å; I135-I139 VanDerWaalsContact O-CG1 3.31Å; I135-I139 WeakPolarHBondContact O-CG1 3.35Å; I135-I139 PolarHBondContact O-N 2.91Å; I135-V163 HydrophobicContact CD1-CG1 4.17Å; I135-W165 HydrophobicContact CB-CH2 4.35Å; I135-W165 HydrophobicContact CB-CZ2 4.36Å; I135-W165 HydrophobicContact CG2-CZ2 4.17Å
136	L	98.6	Very high	94.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-39.5	174.6	-64.9	-178.6	0	0	0	111.9	L132 D133 H134 I139 I140 Y195 L408 P409 W411 Y412	L132-L136 HydrophobicContact CB-CD1 4Å; L132-L136 HydrophobicContact CB-CD2 4.49Å; L132-L136 HydrophobicContact CB-CG 3.9Å; L132-L136 VanDerWaalsContact O-CG 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.45Å; L132-L136 PolarHBondContact O-N 2.85Å; D133-L136 PolarHBondContact O-N 2.89Å; H134-L136 VanDerWaalsContact C-N 3.33Å; L136-I139 HydrophobicContact CD2-CD1 4.35Å; L136-I139 PolarHBondContact O-N 2.98Å; L136-I140 PolarHBondContact O-N 3.25Å; L136-I140 VanDerWaalsContact O-N 3.09Å; L136-Y195 HydrophobicContact CD2-CD1 3.86Å; L136-Y195 HydrophobicContact CD2-CE1 3.68Å; L136-L408 HydrophobicContact CD1-CD2 3.94Å; L136-L408 HydrophobicContact CD2-CD2 4.34Å; L136-P409 HydrophobicContact CD1-CG 4.2Å; L136-W411 HydrophobicContact CB-CH2 3.52Å; L136-W411 HydrophobicContact CB-CZ2 4.38Å; L136-W411 HydrophobicContact CB-CZ3 4.16Å; L136-Y412 HydrophobicContact CB-CD2 3.72Å; L136-Y412 HydrophobicContact CB-CE2 4.02Å; L136-Y412 HydrophobicContact CB-CG 4.2Å; L136-Y412 HydrophobicContact CD1-CD1 4.34Å; L136-Y412 HydrophobicContact CD1-CG 4.17Å; L136-Y412 HydrophobicContact CD2-CD1 4.12Å; L136-Y412 HydrophobicContact CD2-CD2 4.07Å; L136-Y412 HydrophobicContact CD2-CE1 3.82Å; L136-Y412 HydrophobicContact CD2-CE2 3.78Å; L136-Y412 HydrophobicContact CD2-CG 4.24Å; L136-Y412 HydrophobicContact CG-CD2 4.29Å; L136-Y412 HydrophobicContact CG-CE2 4.42Å; L136-Y412 HydrophobicContact CG-CG 4.42Å
137	R	98.6	Very high	93.9	Very high	97 Å²	97	48.5 Å²	48.5	37%	0.366	25%	0.253	S	S	.	.	H	α-helix	trans	-62.2	-43.1	172	-75.2	175.7	-176.7	163.9	0.4	111.5	F92 D133 H134 I139 I140 A141 W411	F92-R137 HydrophobicContact CD1-CB 4.27Å; F92-R137 HydrophobicContact CD2-CB 4.23Å; F92-R137 HydrophobicContact CE1-CB 4.13Å; F92-R137 HydrophobicContact CE2-CB 4.08Å; F92-R137 HydrophobicContact CG-CB 4.33Å; F92-R137 HydrophobicContact CZ-CB 4.04Å; D133-R137 WeakPolarHBondContact O-CG 3.24Å; D133-R137 PolarHBondContact O-N 3.2Å; H134-R137 PolarHBondContact O-N 3.21Å; R137-I139 VanDerWaalsContact C-N 3.33Å; R137-I139 PolarHBondContact O-N 3.33Å; R137-I140 PolarHBondContact O-N 3.26Å; R137-A141 WeakPolarHBondContact O-CB 3.32Å; R137-A141 PolarHBondContact O-N 2.94Å; R137-W411 HydrophobicContact CB-CH2 4.45Å; R137-W411 HydrophobicContact CG-CH2 3.63Å; R137-W411 HydrophobicContact CG-CZ2 4.15Å; R137-W411 HydrophobicContact CG-CZ3 4.12Å
138	W	98.5	Very high	92.3	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-41.6	175.7	-177	90.4	0	0	0	112.1	V81 C83 F84 F92 N94 H134 I135 A141 N142 L146 V253 L264	V81-W138 HydrophobicContact CB-CH2 4.26Å; V81-W138 HydrophobicContact CG2-CH2 3.62Å; V81-W138 HydrophobicContact CG2-CZ2 4.32Å; V81-W138 HydrophobicContact CG2-CZ3 4.39Å; C83-W138 VanDerWaalsContact O-CD1 3.31Å; C83-W138 PolarHBondContact O-NE1 3.29Å; C83-W138 VanDerWaalsContact O-NE1 3.13Å; F84-W138 HydrophobicContact CD1-CB 3.89Å; F84-W138 AromaticContact CD1-CD1 3.71Å; F84-W138 AromaticContact CD1-CG 3.92Å; F84-W138 HydrophobicContact CD1-CG 3.92Å; F84-W138 HydrophobicContact CE1-CB 4.35Å; F92-W138 HydrophobicContact CE2-CB 4.17Å; F92-W138 HydrophobicContact CZ-CB 4.04Å; N94-W138 PolarHBondContact OD1-NE1 3.04Å; H134-W138 PolarHBondContact O-N 2.8Å; I135-W138 WeakPolarHBondContact O-CB 3.38Å; I135-W138 PolarHBondContact O-N 2.82Å; W138-A141 PolarHBondContact O-N 2.8Å; W138-N142 HydrophobicContact CH2-CB 4.28Å; W138-N142 HydrophobicContact CZ2-CB 4.15Å; W138-N142 PolarHBondContact NE1-ND2 3.13Å; W138-N142 WeakPolarHBondContact O-CB 3.41Å; W138-N142 PolarHBondContact O-N 2.85Å; W138-N142 PolarHBondContact O-ND2 3.19Å; W138-L146 HydrophobicContact CE3-CD1 4.29Å; W138-L146 HydrophobicContact CH2-CD1 4.26Å; W138-L146 HydrophobicContact CH2-CD2 3.88Å; W138-L146 HydrophobicContact CH2-CG 4.48Å; W138-L146 HydrophobicContact CZ3-CD1 3.58Å; W138-L146 HydrophobicContact CZ3-CD2 3.88Å; W138-L146 HydrophobicContact CZ3-CG 4.25Å; W138-V253 HydrophobicContact CD2-CB 4.18Å; W138-V253 HydrophobicContact CD2-CG1 4.21Å; W138-V253 HydrophobicContact CD2-CG2 3.66Å; W138-V253 HydrophobicContact CE3-CB 4.27Å; W138-V253 HydrophobicContact CE3-CG1 3.79Å; W138-V253 HydrophobicContact CE3-CG2 4.09Å; W138-V253 HydrophobicContact CG-CG2 3.94Å; W138-V253 HydrophobicContact CH2-CB 4.06Å; W138-V253 HydrophobicContact CH2-CG1 3.8Å; W138-V253 HydrophobicContact CZ2-CB 3.97Å; W138-V253 HydrophobicContact CZ2-CG1 4.22Å; W138-V253 HydrophobicContact CZ2-CG2 4.22Å; W138-V253 HydrophobicContact CZ3-CB 4.2Å; W138-V253 HydrophobicContact CZ3-CG1 3.56Å; W138-L264 HydrophobicContact CZ3-CD2 4.45Å
139	I	97.6	Very high	90.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-47.7	176.6	-72	166	0	0	0	110.8	I135 L136 R137 A141 N142 R143 L146 L158 V163 L264 Y412 M416	I135-I139 HydrophobicContact CG1-CD1 4.31Å; I135-I139 VanDerWaalsContact O-CG1 3.31Å; I135-I139 WeakPolarHBondContact O-CG1 3.35Å; I135-I139 PolarHBondContact O-N 2.91Å; L136-I139 HydrophobicContact CD2-CD1 4.35Å; L136-I139 PolarHBondContact O-N 2.98Å; R137-I139 VanDerWaalsContact C-N 3.33Å; R137-I139 PolarHBondContact O-N 3.33Å; I139-A141 PolarHBondContact O-N 3.46Å; I139-N142 CarbonylContact O-C 3.56Å; I139-N142 PolarHBondContact O-N 2.87Å; I139-R143 WeakPolarHBondContact O-CA 3.2Å; I139-R143 PolarHBondContact O-N 3.03Å; I139-L146 HydrophobicContact CB-CD1 4.3Å; I139-L146 HydrophobicContact CG1-CD1 4.15Å; I139-L146 HydrophobicContact CG2-CD1 4.12Å; I139-L158 HydrophobicContact CG2-CD1 4.2Å; I139-L158 HydrophobicContact CG2-CD2 3.92Å; I139-V163 HydrophobicContact CD1-CG1 3.75Å; I139-V163 HydrophobicContact CD1-CG2 4.25Å; I139-L264 HydrophobicContact CD1-CD2 4.07Å; I139-L264 HydrophobicContact CG1-CD2 4.05Å; I139-Y412 HydrophobicContact CB-CE2 4.31Å; I139-Y412 HydrophobicContact CG2-CE2 4.05Å; I139-M416 HydrophobicContact CG2-CE 4.47Å; I139-M416 HydrophobicContact CG2-SD 4.44Å
140	I	95.9	Very high	88.1	Confident	49 Å²	49	54.1 Å²	54.1	25%	0.251	28%	0.277	S	S	.	.	H	α-helix	trans	-58.4	-49.8	176.3	-68.9	-179	0	0	0	110.5	L136 R137 N142 R143 W411 Y412 E415	L136-I140 PolarHBondContact O-N 3.25Å; L136-I140 VanDerWaalsContact O-N 3.09Å; R137-I140 PolarHBondContact O-N 3.26Å; I140-N142 PolarHBondContact O-N 3.14Å; I140-N142 VanDerWaalsContact O-N 3.12Å; I140-R143 PolarHBondContact O-N 2.74Å; I140-W411 HydrophobicContact CD1-CE3 3.5Å; I140-W411 VanDerWaalsContact CD1-CE3 3.5Å; I140-W411 HydrophobicContact CD1-CZ3 3.37Å; I140-W411 HydrophobicContact CG1-CZ3 4.35Å; I140-Y412 HydrophobicContact CD1-CD2 3.92Å; I140-Y412 HydrophobicContact CG1-CD2 3.88Å; I140-Y412 HydrophobicContact CG1-CE2 4.13Å; I140-E415 HydrophobicContact CD1-CB 3.82Å; I140-E415 HydrophobicContact CD1-CG 3.95Å; I140-E415 HydrophobicContact CG1-CB 4.43Å; I140-E415 HydrophobicContact CG1-CG 4.26Å; I140-E415 HydrophobicContact CG2-CG 3.93Å
141	A	96.1	Very high	85.6	Confident	56 Å²	56	56.1 Å²	56.1	46%	0.463	29%	0.291	S	S	.	.	H	α-helix	trans	-64.6	-17.8	-177.4	0	0	0	0	0	113.8	R137 W138 I139	R137-A141 WeakPolarHBondContact O-CB 3.32Å; R137-A141 PolarHBondContact O-N 2.94Å; W138-A141 PolarHBondContact O-N 2.8Å; I139-A141 PolarHBondContact O-N 3.46Å
142	N	95.1	Very high	83	Confident	7 Å²	7	59.4 Å²	59.4	4%	0.037	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	17.1	-177.2	-65	-85.4	0	0	0	113.3	N94 W138 I139 I140 S144 K145	N94-N142 PolarHBondContact ND2-ND2 3.15Å; N94-N142 PolarHBondContact OD1-ND2 2.75Å; W138-N142 HydrophobicContact CH2-CB 4.28Å; W138-N142 HydrophobicContact CZ2-CB 4.15Å; W138-N142 PolarHBondContact NE1-ND2 3.13Å; W138-N142 WeakPolarHBondContact O-CB 3.41Å; W138-N142 PolarHBondContact O-N 2.85Å; W138-N142 PolarHBondContact O-ND2 3.19Å; I139-N142 CarbonylContact O-C 3.56Å; I139-N142 PolarHBondContact O-N 2.87Å; I140-N142 PolarHBondContact O-N 3.14Å; I140-N142 VanDerWaalsContact O-N 3.12Å; N142-S144 VanDerWaalsContact C-N 3.28Å; N142-S144 PolarHBondContact O-N 3.13Å; N142-S144 VanDerWaalsContact O-N 3.14Å; N142-K145 HydrophobicContact CB-CD 4.36Å; N142-K145 WeakPolarHBondContact O-CB 3.45Å; N142-K145 PolarHBondContact O-N 2.97Å; N142-K145 PolarHBondContact OD1-NZ 2.77Å
143	R	87.6	Confident	80.4	Confident	39 Å²	39	66.8 Å²	66.8	15%	0.147	36%	0.358	C	S	.	.	H	α-helix	trans	-51.3	-44.2	-171.9	-174.2	177.3	178.4	-178	0.7	113	I139 I140 K145 L146 T147 E415 M416 R418	I139-R143 WeakPolarHBondContact O-CA 3.2Å; I139-R143 PolarHBondContact O-N 3.03Å; I140-R143 PolarHBondContact O-N 2.74Å; R143-K145 PolarHBondContact O-N 3.13Å; R143-K145 VanDerWaalsContact O-N 3.15Å; R143-L146 PolarHBondContact O-N 3.45Å; R143-T147 PolarHBondContact O-N 2.64Å; R143-T147 VanDerWaalsContact O-N 3.17Å; R143-T147 PolarHBondContact O-OG1 3.32Å; R143-E415 PolarHBondContact NH1-O 3.48Å; R143-M416 PolarHBondContact NH2-O 3.44Å; R143-R418 PolarHBondContact NH1-O 2.94Å; R143-R418 VanDerWaalsContact NH1-O 3.17Å; R143-R418 PolarHBondContact NH2-O 3.16Å; R143-R418 VanDerWaalsContact NH2-O 3.13Å
144	S	84.8	Confident	78.1	Confident	104 Å²	104	67.4 Å²	67.4	73%	0.727	37%	0.368	S	S	*	.	H	α-helix	trans	-60.4	-24.9	179.9	59.6	0	0	0	0	114.4	N142	N142-S144 VanDerWaalsContact C-N 3.28Å; N142-S144 PolarHBondContact O-N 3.13Å; N142-S144 VanDerWaalsContact O-N 3.14Å
145	K	84.2	Confident	76.2	Confident	151 Å²	151	72.6 Å²	72.6	66%	0.657	41%	0.405	S	S	*	.	H	α-helix	trans	-83.3	-20.5	175.9	-58.6	176.2	-174.1	163.5	0	112.7	N142 R143	N142-K145 HydrophobicContact CB-CD 4.36Å; N142-K145 WeakPolarHBondContact O-CB 3.45Å; N142-K145 PolarHBondContact O-N 2.97Å; N142-K145 PolarHBondContact OD1-NZ 2.77Å; R143-K145 PolarHBondContact O-N 3.13Å; R143-K145 VanDerWaalsContact O-N 3.15Å
146	L	84.1	Confident	74.4	Confident	9 Å²	9	74.4 Å²	74.4	5%	0.047	42%	0.418	C	S	.	.	H	α-helix	trans	-102	-14.4	-171.1	-58.4	173.6	0	0	0	113.4	W138 I139 R143 L158 D159 F160 L264	W138-L146 HydrophobicContact CE3-CD1 4.29Å; W138-L146 HydrophobicContact CH2-CD1 4.26Å; W138-L146 HydrophobicContact CH2-CD2 3.88Å; W138-L146 HydrophobicContact CH2-CG 4.48Å; W138-L146 HydrophobicContact CZ3-CD1 3.58Å; W138-L146 HydrophobicContact CZ3-CD2 3.88Å; W138-L146 HydrophobicContact CZ3-CG 4.25Å; I139-L146 HydrophobicContact CB-CD1 4.3Å; I139-L146 HydrophobicContact CG1-CD1 4.15Å; I139-L146 HydrophobicContact CG2-CD1 4.12Å; R143-L146 PolarHBondContact O-N 3.45Å; L146-L158 HydrophobicContact CB-CD2 4.01Å; L146-L158 HydrophobicContact CD1-CD2 4.38Å; L146-D159 PolarHBondContact O-N 2.83Å; L146-F160 HydrophobicContact CB-CE2 4.32Å; L146-F160 HydrophobicContact CD2-CE2 3.92Å; L146-F160 HydrophobicContact CD2-CZ 4.36Å; L146-L264 HydrophobicContact CD1-CD2 4.45Å
147	T	73.8	Confident	73.2	Confident	57 Å²	57	75.5 Å²	75.5	35%	0.35	43%	0.425	S	S	.	.	S	Bend	trans	-81.1	136	177.1	-53.2	0	0	0	0	110.8	R143 K149 P157	R143-T147 PolarHBondContact O-N 2.64Å; R143-T147 VanDerWaalsContact O-N 3.17Å; R143-T147 PolarHBondContact O-OG1 3.32Å; T147-K149 PolarHBondContact O-N 3.13Å; T147-P157 PolarHBondContact OG1-O 3.02Å; T147-P157 VanDerWaalsContact OG1-O 3.08Å
148	S	63.2	Low	72.5	Confident	38 Å²	38	71 Å²	71	27%	0.266	41%	0.408	S	S	.	.			trans	-61	122.3	176.7	175	0	0	0	0	111.1	L150	S148-L150 PolarHBondContact O-N 2.81Å; S148-L150 PolarHBondContact OG-N 2.88Å
149	K	54.9	Low	72	Confident	207 Å²	207	74.4 Å²	74.4	90%	0.9	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-10	172.5	-66	-174.3	179.8	-178.5	0	113.6	T147	T147-K149 PolarHBondContact O-N 3.13Å
150	L	48.3	Very low	71.9	Confident	159 Å²	159	75.1 Å²	75.1	83%	0.832	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-2.6	-164.8	-87	154.8	0	0	0	114.9	S148	S148-L150 PolarHBondContact O-N 2.81Å; S148-L150 PolarHBondContact OG-N 2.88Å
151	T	43.8	Very low	71.9	Confident	74 Å²	74	74.9 Å²	74.9	45%	0.454	43%	0.429	S	S	.	.			trans	-145.2	96.4	-174.9	43.2	0	0	0	0	110.9	N153 A154	T151-N153 PolarHBondContact O-N 2.72Å; T151-A154 PolarHBondContact O-N 3.13Å; T151-A154 VanDerWaalsContact OG1-CB 3.31Å; T151-A154 WeakPolarHBondContact OG1-CB 3.43Å
152	T	44.3	Very low	72.1	Confident	149 Å²	149	72.3 Å²	72.3	91%	0.914	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-4.1	166.7	38.8	0	0	0	0	113.8
153	N	43.6	Very low	72.2	Confident	156 Å²	156	72 Å²	72	83%	0.834	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126	16.3	-178.5	-72.1	-16.1	0	0	0	114.6	T151	T151-N153 PolarHBondContact O-N 2.72Å
154	A	50.8	Low	72.8	Confident	54 Å²	54	70.3 Å²	70.3	45%	0.446	40%	0.399	S	S	.	.			trans	-77.2	127	179.4	0	0	0	0	0	112.2	T151 C156	T151-A154 PolarHBondContact O-N 3.13Å; T151-A154 VanDerWaalsContact OG1-CB 3.31Å; T151-A154 WeakPolarHBondContact OG1-CB 3.43Å; A154-C156 PolarHBondContact O-N 3.22Å
155	S	56.8	Low	73.5	Confident	117 Å²	117	67.4 Å²	67.4	82%	0.818	37%	0.373	S	S	*	.	S	Bend	trans	-71.8	-4	173	57	0	0	0	0	114.3
156	C	62.4	Low	74.1	Confident	38 Å²	38	60.8 Å²	60.8	26%	0.257	34%	0.344	S	S	.	.			trans	-114.1	114	-175.8	-166.9	0	0	0	0	110	A154 L158 N191	A154-C156 PolarHBondContact O-N 3.22Å; C156-L158 PolarHBondContact O-N 2.84Å; C156-L158 PolarHBondContact SG-O 3.19Å; C156-N191 PolarHBondContact SG-O 3.19Å
157	P	73.3	Confident	74.8	Confident	24 Å²	24	62 Å²	62	16%	0.156	36%	0.358	C	S	.	.	S	Bend	trans	-64.6	-23.2	-177.8	-24.1	34.2	0	0	0	114.8	T147 N191 M416	T147-P157 PolarHBondContact OG1-O 3.02Å; T147-P157 VanDerWaalsContact OG1-O 3.08Å; P157-N191 WeakPolarHBondContact CD-O 3.09Å; P157-N191 HydrophobicContact CG-CB 3.87Å; P157-M416 HydrophobicContact CB-CE 3.9Å
158	L	83.3	Confident	76	Confident	3 Å²	3	60 Å²	60	2%	0.016	34%	0.344	C	S	.	.	S	Bend	trans	-116.1	138	-178.8	-59.9	179.4	0	0	0	110.1	I139 L146 C156 F160 V163 T193 Y195 M416	I139-L158 HydrophobicContact CG2-CD1 4.2Å; I139-L158 HydrophobicContact CG2-CD2 3.92Å; L146-L158 HydrophobicContact CB-CD2 4.01Å; L146-L158 HydrophobicContact CD1-CD2 4.38Å; C156-L158 PolarHBondContact O-N 2.84Å; C156-L158 PolarHBondContact SG-O 3.19Å; L158-F160 HydrophobicContact CB-CD2 4.27Å; L158-F160 PolarHBondContact O-N 3.32Å; L158-V163 HydrophobicContact CD1-CG2 4.35Å; L158-T193 HydrophobicContact CD1-CG2 4.5Å; L158-Y195 WeakPolarHBondContact CD1-OH 3.28Å; L158-M416 HydrophobicContact CD1-CE 4.13Å; L158-M416 HydrophobicContact CD2-CE 3.98Å; L158-M416 HydrophobicContact CG-CE 3.87Å
159	D	88.3	Confident	77.7	Confident	71 Å²	71	58.2 Å²	58.2	38%	0.38	33%	0.332	S	S	.	.	S	Bend	trans	-82.2	40.5	174.3	-168	34.9	0	0	0	113.1	L146 K262	L146-D159 PolarHBondContact O-N 2.83Å; D159-K262 WeakPolarHBondContact O-CD 3.19Å; D159-K262 IonicContact OD1-NZ 3.17Å; D159-K262 PolarHBondContact OD1-NZ 2.95Å; D159-K262 IonicContact OD2-NZ 3.24Å; D159-K262 PolarHBondContact OD2-NZ 3.09Å
160	F	94.6	Very high	79.8	Confident	15 Å²	15	49.3 Å²	49.3	7%	0.066	30%	0.295	C	S	.	.			trans	-134.5	141.4	-177.8	-55.9	-73.8	0	0	0	111.7	L146 L158 T193 Q255 K262 L264	L146-F160 HydrophobicContact CB-CE2 4.32Å; L146-F160 HydrophobicContact CD2-CE2 3.92Å; L146-F160 HydrophobicContact CD2-CZ 4.36Å; L158-F160 HydrophobicContact CB-CD2 4.27Å; L158-F160 PolarHBondContact O-N 3.32Å; F160-T193 PolarHBondContact O-OG1 2.82Å; F160-T193 VanDerWaalsContact O-OG1 3.13Å; F160-Q255 HydrophobicContact CE1-CB 3.67Å; F160-Q255 HydrophobicContact CZ-CB 4.14Å; F160-Q255 VanDerWaalsContact CZ-OE1 3.28Å; F160-K262 HydrophobicContact CD1-CB 4.38Å; F160-L264 HydrophobicContact CB-CB 4.19Å; F160-L264 HydrophobicContact CD1-CB 3.88Å; F160-L264 HydrophobicContact CD2-CB 3.91Å; F160-L264 HydrophobicContact CD2-CD2 3.94Å; F160-L264 HydrophobicContact CD2-CG 4.38Å; F160-L264 HydrophobicContact CE1-CB 4.27Å; F160-L264 HydrophobicContact CE1-CD1 4.44Å; F160-L264 HydrophobicContact CE2-CB 4.29Å; F160-L264 HydrophobicContact CE2-CD1 4.18Å; F160-L264 HydrophobicContact CE2-CD2 4.03Å; F160-L264 HydrophobicContact CE2-CG 4.41Å; F160-L264 HydrophobicContact CG-CB 3.7Å; F160-L264 HydrophobicContact CZ-CB 4.45Å; F160-L264 HydrophobicContact CZ-CD1 4.08Å
161	D	97.3	Very high	82.2	Confident	45 Å²	45	44.9 Å²	44.9	24%	0.241	27%	0.269	C	S	.	.	S	Bend	trans	-78.5	-39.4	174	-64.8	-64.3	0	0	0	111.2	L194 H261 K262 K373	D161-L194 WeakPolarHBondContact O-CB 3.13Å; D161-L194 PolarHBondContact O-N 2.89Å; D161-H261 WeakPolarHBondContact OD2-CA 3.41Å; D161-K262 WeakPolarHBondContact CB-O 3.39Å; D161-K262 PolarHBondContact N-O 2.93Å; D161-K262 PolarHBondContact OD2-N 3.02Å; D161-K373 VanDerWaalsContact OD1-CE 3.32Å; D161-K373 WeakPolarHBondContact OD1-CE 3.23Å; D161-K373 IonicContact OD1-NZ 2.58Å; D161-K373 PolarHBondContact OD1-NZ 2.96Å; D161-K373 IonicContact OD2-NZ 3.3Å; D161-K373 PolarHBondContact OD2-NZ 2.87Å
162	F	98.8	Very high	84.9	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.009	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.8	-173.5	-64.7	-83.4	0	0	0	113	L194 I196 H261 K262 L263 L264 L369 V372 K373	F162-L194 CarbonylContact C-O 3.54Å; F162-L194 VanDerWaalsContact CA-O 3.23Å; F162-L194 WeakPolarHBondContact CA-O 3.32Å; F162-L194 HydrophobicContact CD1-CB 3.63Å; F162-L194 HydrophobicContact CD1-CD1 4.27Å; F162-L194 HydrophobicContact CE1-CB 3.76Å; F162-L194 HydrophobicContact CE1-CD1 3.61Å; F162-L194 HydrophobicContact CE1-CG 4.31Å; F162-L194 HydrophobicContact CZ-CD1 3.89Å; F162-I196 HydrophobicContact CD1-CD1 3.77Å; F162-I196 HydrophobicContact CD1-CG1 4.23Å; F162-I196 HydrophobicContact CE1-CD1 4.16Å; F162-H261 HydrophobicContact CD2-CB 4.14Å; F162-H261 HydrophobicContact CE2-CB 3.97Å; F162-H261 AromaticContact CE2-ND1 3.71Å; F162-K262 PolarHBondContact N-O 3Å; F162-K262 VanDerWaalsContact N-O 3.09Å; F162-L263 HydrophobicContact CB-CD2 3.72Å; F162-L263 HydrophobicContact CD2-CD2 3.67Å; F162-L263 HydrophobicContact CG-CD2 4.03Å; F162-L264 PolarHBondContact O-N 3.26Å; F162-L369 HydrophobicContact CD1-CD2 3.86Å; F162-L369 HydrophobicContact CD2-CD2 3.98Å; F162-L369 HydrophobicContact CE1-CD2 3.72Å; F162-L369 HydrophobicContact CE2-CB 3.8Å; F162-L369 HydrophobicContact CE2-CD2 3.84Å; F162-L369 HydrophobicContact CE2-CG 4.26Å; F162-L369 HydrophobicContact CG-CD2 3.97Å; F162-L369 HydrophobicContact CZ-CB 3.75Å; F162-L369 HydrophobicContact CZ-CD2 3.69Å; F162-L369 HydrophobicContact CZ-CG 4.29Å; F162-L369 WeakPolarHBondContact CZ-O 3.25Å; F162-V372 HydrophobicContact CE1-CB 4.21Å; F162-V372 HydrophobicContact CE1-CG1 3.87Å; F162-K373 HydrophobicContact CE2-CD 4.26Å; F162-K373 HydrophobicContact CE2-CG 4.14Å; F162-K373 HydrophobicContact CZ-CD 4.37Å; F162-K373 HydrophobicContact CZ-CG 3.76Å
163	V	98.8	Very high	87.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.3	170.8	174.1	0	0	0	0	110	I135 I139 L158 T193 L194 Y195 I196 L264	I135-V163 HydrophobicContact CD1-CG1 4.17Å; I139-V163 HydrophobicContact CD1-CG1 3.75Å; I139-V163 HydrophobicContact CD1-CG2 4.25Å; L158-V163 HydrophobicContact CD1-CG2 4.35Å; V163-T193 HydrophobicContact CB-CG2 4.32Å; V163-T193 HydrophobicContact CG2-CG2 3.65Å; V163-L194 PolarHBondContact N-O 3.04Å; V163-Y195 HydrophobicContact CB-CD1 3.57Å; V163-Y195 HydrophobicContact CB-CE1 3.76Å; V163-Y195 HydrophobicContact CB-CG 4.34Å; V163-Y195 HydrophobicContact CG1-CD1 3.71Å; V163-Y195 HydrophobicContact CG1-CE1 3.87Å; V163-Y195 HydrophobicContact CG2-CD1 4.3Å; V163-Y195 HydrophobicContact CG2-CE1 3.98Å; V163-Y195 WeakPolarHBondContact O-CA 3.4Å; V163-I196 PolarHBondContact O-N 3.49Å; V163-L264 VanDerWaalsContact CA-O 3.28Å; V163-L264 WeakPolarHBondContact CA-O 3.27Å; V163-L264 HydrophobicContact CG2-CB 4.27Å; V163-L264 HydrophobicContact CG2-CD2 4.27Å
164	T	98.9	Very high	90.1	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	-177.6	-178.2	-162	0	0	0	0	113.7	H168 L169 I196 L264 F265 S266	T164-H168 PolarHBondContact OG1-ND1 2.8Å; T164-L169 HydrophobicContact CG2-CD1 4Å; T164-L169 HydrophobicContact CG2-CD2 3.98Å; T164-L169 HydrophobicContact CG2-CG 3.71Å; T164-I196 WeakPolarHBondContact CB-O 3.31Å; T164-I196 PolarHBondContact OG1-O 2.81Å; T164-L264 PolarHBondContact N-O 3.33Å; T164-F265 HydrophobicContact CG2-CB 4.08Å; T164-F265 WeakPolarHBondContact O-CA 3.49Å; T164-F265 WeakPolarHBondContact O-CB 3.49Å; T164-S266 PolarHBondContact O-N 2.89Å
165	W	98.9	Very high	92.3	Very high	43 Å²	43	24.9 Å²	24.9	16%	0.163	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	145.8	165.5	-68.7	116.3	0	0	0	111.3	F84 K131 L132 H134 I135 G167 H168 L169 S266	F84-W165 HydrophobicContact CE2-CH2 4.31Å; F84-W165 AromaticContact CZ-CH2 3.61Å; F84-W165 HydrophobicContact CZ-CH2 3.61Å; F84-W165 AromaticContact CZ-CZ3 3.88Å; F84-W165 HydrophobicContact CZ-CZ3 3.88Å; K131-W165 PolarHBondContact O-NE1 2.72Å; L132-W165 VanDerWaalsContact CD2-CD1 3.44Å; L132-W165 HydrophobicContact CD2-CG 4.24Å; H134-W165 HydrophobicContact CB-CH2 4.13Å; H134-W165 HydrophobicContact CB-CZ2 4.23Å; I135-W165 HydrophobicContact CB-CH2 4.35Å; I135-W165 HydrophobicContact CB-CZ2 4.36Å; I135-W165 HydrophobicContact CG2-CZ2 4.17Å; W165-G167 PolarHBondContact O-N 2.97Å; W165-H168 AromaticContact CD1-CE1 3.41Å; W165-H168 VanDerWaalsContact CD1-CE1 3.41Å; W165-H168 AromaticContact CD1-NE2 3.96Å; W165-H168 AromaticContact CG-CE1 3.97Å; W165-H168 PolarHBondContact N-ND1 2.88Å; W165-H168 WeakPolarHBondContact O-CB 3.45Å; W165-H168 PolarHBondContact O-N 3.15Å; W165-L169 PolarHBondContact O-N 3.41Å; W165-S266 VanDerWaalsContact CZ3-CB 3.48Å; W165-S266 WeakPolarHBondContact CZ3-OG 3.46Å
166	R	98.8	Very high	94.3	Very high	13 Å²	13	19.7 Å²	19.7	5%	0.049	11%	0.111	C	C	.	.	H	α-helix	trans	-50.2	-41.4	171.4	-177.2	-84.3	-58.5	-81.5	-5.2	111.7	H168 L169 T170 F265 S266 E268 E287 Q314 L317 P318	R166-H168 VanDerWaalsContact C-N 3.29Å; R166-H168 PolarHBondContact O-N 3.14Å; R166-L169 PolarHBondContact O-N 2.68Å; R166-L169 VanDerWaalsContact O-N 3.16Å; R166-T170 WeakPolarHBondContact CD-OG1 3.48Å; R166-T170 PolarHBondContact O-N 2.96Å; R166-T170 PolarHBondContact O-OG1 3.38Å; R166-T170 VanDerWaalsContact O-OG1 3.12Å; R166-F265 HydrophobicContact CB-CD2 3.82Å; R166-F265 HydrophobicContact CB-CE2 4.21Å; R166-F265 HydrophobicContact CG-CD2 4.34Å; R166-F265 HydrophobicContact CG-CE2 4.23Å; R166-S266 VanDerWaalsContact CB-O 3.3Å; R166-S266 WeakPolarHBondContact CB-O 3.31Å; R166-S266 PolarHBondContact N-O 2.99Å; R166-E268 PolarHBondContact NH2-O 3.1Å; R166-E287 IonicContact NH1-OE2 3.48Å; R166-Q314 WeakPolarHBondContact CD-O 3.45Å; R166-Q314 VanDerWaalsContact NH1-CG 3.33Å; R166-Q314 PolarHBondContact NH1-O 3.3Å; R166-L317 HydrophobicContact CG-CB 4.24Å; R166-L317 HydrophobicContact CG-CD1 4.36Å; R166-P318 HydrophobicContact CG-CG 4.42Å
167	G	98.7	Very high	96	Very high	34 Å²	34	19.1 Å²	19.1	35%	0.351	10%	0.103	S	C	.	.	H	α-helix	trans	-58.3	-36.5	179.4	0	0	0	0	0	113.7	W165 T170 K171	W165-G167 PolarHBondContact O-N 2.97Å; G167-T170 WeakPolarHBondContact O-CB 3.39Å; G167-T170 PolarHBondContact O-N 2.81Å; G167-K171 PolarHBondContact O-N 3.11Å; G167-K171 VanDerWaalsContact O-N 3.11Å
168	H	98.8	Very high	97.2	Very high	14 Å²	14	19.4 Å²	19.4	7%	0.065	10%	0.102	C	C	.	.	H	α-helix	trans	-67.4	-44.3	176.2	-50.8	145.5	0	0	0	111.3	T164 W165 R166 T170 K171 L172 L185 I196 E198	T164-H168 PolarHBondContact OG1-ND1 2.8Å; W165-H168 AromaticContact CD1-CE1 3.41Å; W165-H168 VanDerWaalsContact CD1-CE1 3.41Å; W165-H168 AromaticContact CD1-NE2 3.96Å; W165-H168 AromaticContact CG-CE1 3.97Å; W165-H168 PolarHBondContact N-ND1 2.88Å; W165-H168 WeakPolarHBondContact O-CB 3.45Å; W165-H168 PolarHBondContact O-N 3.15Å; R166-H168 VanDerWaalsContact C-N 3.29Å; R166-H168 PolarHBondContact O-N 3.14Å; H168-T170 VanDerWaalsContact C-N 3.3Å; H168-T170 PolarHBondContact O-N 2.9Å; H168-K171 WeakPolarHBondContact O-CB 3.46Å; H168-K171 PolarHBondContact O-N 3.4Å; H168-L172 PolarHBondContact O-N 3.28Å; H168-L172 VanDerWaalsContact O-N 3.14Å; H168-L185 HydrophobicContact CB-CD2 4.14Å; H168-I196 PolarHBondContact ND1-O 2.9Å; H168-E198 WeakPolarHBondContact CD2-CB 3.41Å; H168-E198 IonicContact CD2-OE2 3.51Å; H168-E198 PolarHBondContact CE1-N 2.84Å; H168-E198 WeakPolarHBondContact NE2-CB 3.3Å; H168-E198 PolarHBondContact NE2-N 2.67Å; H168-E198 VanDerWaalsContact NE2-N 3.14Å
169	L	98.9	Very high	97.8	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-62.6	-38.1	175	-63.7	178.4	0	0	0	111.3	T164 W165 R166 K171 L172 L173 L263 F265 L317	T164-L169 HydrophobicContact CG2-CD1 4Å; T164-L169 HydrophobicContact CG2-CD2 3.98Å; T164-L169 HydrophobicContact CG2-CG 3.71Å; W165-L169 PolarHBondContact O-N 3.41Å; R166-L169 PolarHBondContact O-N 2.68Å; R166-L169 VanDerWaalsContact O-N 3.16Å; L169-K171 VanDerWaalsContact C-N 3.33Å; L169-K171 PolarHBondContact O-N 3.28Å; L169-L172 HydrophobicContact CD2-CD1 4.16Å; L169-L172 WeakPolarHBondContact O-CB 3.38Å; L169-L172 PolarHBondContact O-N 3.22Å; L169-L173 WeakPolarHBondContact O-CD1 3.29Å; L169-L173 PolarHBondContact O-N 2.87Å; L169-L263 HydrophobicContact CD1-CD1 4.33Å; L169-F265 HydrophobicContact CD1-CB 4.28Å; L169-F265 HydrophobicContact CD1-CD1 3.6Å; L169-F265 HydrophobicContact CD1-CE1 4.02Å; L169-F265 HydrophobicContact CD1-CG 3.88Å; L169-L317 HydrophobicContact CB-CD1 3.59Å; L169-L317 HydrophobicContact CB-CD2 4.27Å; L169-L317 HydrophobicContact CD1-CD2 4.47Å
170	T	98.9	Very high	98.2	Very high	20 Å²	20	28.5 Å²	28.5	12%	0.123	14%	0.139	C	C	.	.	H	α-helix	trans	-58.2	-44.3	173.5	-59.4	0	0	0	0	111.4	R166 G167 H168 L172 L173 T174 A313 Q314	R166-T170 WeakPolarHBondContact CD-OG1 3.48Å; R166-T170 PolarHBondContact O-N 2.96Å; R166-T170 PolarHBondContact O-OG1 3.38Å; R166-T170 VanDerWaalsContact O-OG1 3.12Å; G167-T170 WeakPolarHBondContact O-CB 3.39Å; G167-T170 PolarHBondContact O-N 2.81Å; H168-T170 VanDerWaalsContact C-N 3.3Å; H168-T170 PolarHBondContact O-N 2.9Å; T170-L172 VanDerWaalsContact C-N 3.31Å; T170-L172 PolarHBondContact O-N 2.94Å; T170-L173 PolarHBondContact O-N 3.43Å; T170-T174 WeakPolarHBondContact O-CG2 3.15Å; T170-T174 PolarHBondContact O-N 2.77Å; T170-T174 PolarHBondContact O-OG1 3.07Å; T170-A313 HydrophobicContact CG2-CB 3.93Å; T170-Q314 HydrophobicContact CG2-CB 4.37Å
171	K	98.8	Very high	98.3	Very high	65 Å²	65	31.9 Å²	31.9	28%	0.283	16%	0.156	S	C	.	.	H	α-helix	trans	-59.3	-42.3	175.4	-67.5	-168.9	179.8	-153.2	0	112.2	G167 H168 L169 T174 T175 W183 E198	G167-K171 PolarHBondContact O-N 3.11Å; G167-K171 VanDerWaalsContact O-N 3.11Å; H168-K171 WeakPolarHBondContact O-CB 3.46Å; H168-K171 PolarHBondContact O-N 3.4Å; L169-K171 VanDerWaalsContact C-N 3.33Å; L169-K171 PolarHBondContact O-N 3.28Å; K171-T174 PolarHBondContact O-N 2.89Å; K171-T174 PolarHBondContact O-OG1 2.91Å; K171-T175 PolarHBondContact O-N 3.24Å; K171-T175 PolarHBondContact O-OG1 2.82Å; K171-W183 HydrophobicContact CD-CB 4.31Å; K171-E198 VanDerWaalsContact CE-OE2 3.24Å; K171-E198 WeakPolarHBondContact CE-OE2 3.34Å; K171-E198 IonicContact NZ-OE1 3.36Å; K171-E198 PolarHBondContact NZ-OE1 2.91Å; K171-E198 IonicContact NZ-OE2 2.62Å; K171-E198 PolarHBondContact NZ-OE2 2.97Å
172	L	98.8	Very high	98.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-60.3	-52.3	175.2	-64.8	175.9	0	0	0	110.9	H168 L169 T170 T174 T175 W183 L185 F364 C365 F368	H168-L172 PolarHBondContact O-N 3.28Å; H168-L172 VanDerWaalsContact O-N 3.14Å; L169-L172 HydrophobicContact CD2-CD1 4.16Å; L169-L172 WeakPolarHBondContact O-CB 3.38Å; L169-L172 PolarHBondContact O-N 3.22Å; T170-L172 VanDerWaalsContact C-N 3.31Å; T170-L172 PolarHBondContact O-N 2.94Å; L172-T174 PolarHBondContact O-N 3.03Å; L172-T174 VanDerWaalsContact O-N 3.14Å; L172-T175 WeakPolarHBondContact O-CB 3.48Å; L172-T175 PolarHBondContact O-N 3.47Å; L172-T175 PolarHBondContact O-OG1 2.9Å; L172-W183 HydrophobicContact CD2-CH2 4.04Å; L172-W183 HydrophobicContact CD2-CZ2 3.84Å; L172-L185 HydrophobicContact CD1-CD1 4.43Å; L172-L185 HydrophobicContact CD2-CD1 3.7Å; L172-L185 HydrophobicContact CG-CD1 4.12Å; L172-F364 HydrophobicContact CB-CE1 4.36Å; L172-F364 HydrophobicContact CD2-CE1 4.24Å; L172-F364 WeakPolarHBondContact O-CD1 3.34Å; L172-F364 VanDerWaalsContact O-CE1 3.26Å; L172-F364 WeakPolarHBondContact O-CE1 3.3Å; L172-C365 HydrophobicContact CB-CB 4.47Å; L172-F368 HydrophobicContact CD1-CD1 3.39Å; L172-F368 HydrophobicContact CD1-CE1 3.62Å; L172-F368 HydrophobicContact CD1-CG 4.22Å; L172-F368 HydrophobicContact CD2-CB 4.5Å; L172-F368 HydrophobicContact CD2-CD1 3.61Å; L172-F368 HydrophobicContact CD2-CD2 3.97Å; L172-F368 HydrophobicContact CD2-CE1 3.7Å; L172-F368 HydrophobicContact CD2-CE2 4.07Å; L172-F368 HydrophobicContact CD2-CG 3.74Å; L172-F368 HydrophobicContact CD2-CZ 3.93Å; L172-F368 HydrophobicContact CG-CD1 4.14Å; L172-F368 HydrophobicContact CG-CE1 4.31Å
173	L	98.8	Very high	98.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-54.6	-37.2	179.6	-93.2	67.2	0	0	0	112.2	L169 T170 W312 A313 L317 C361 M362 C365	L169-L173 WeakPolarHBondContact O-CD1 3.29Å; L169-L173 PolarHBondContact O-N 2.87Å; T170-L173 PolarHBondContact O-N 3.43Å; L173-W312 HydrophobicContact CD2-CH2 4.19Å; L173-W312 HydrophobicContact CD2-CZ3 4.01Å; L173-A313 HydrophobicContact CB-CB 3.93Å; L173-A313 HydrophobicContact CD2-CB 3.85Å; L173-L317 HydrophobicContact CD1-CD1 4.36Å; L173-L317 HydrophobicContact CD1-CD2 3.99Å; L173-L317 HydrophobicContact CD2-CD1 4.1Å; L173-L317 HydrophobicContact CD2-CD2 3.96Å; L173-L317 HydrophobicContact CD2-CG 3.87Å; L173-C361 HydrophobicContact CB-CB 4.21Å; L173-C361 HydrophobicContact CG-CB 4.31Å; L173-C361 VanDerWaalsContact O-CA 3.31Å; L173-C361 WeakPolarHBondContact O-CA 3.47Å; L173-C361 WeakPolarHBondContact O-CB 3.24Å; L173-C361 PolarHBondContact O-SG 2.83Å; L173-C361 VanDerWaalsContact O-SG 3.35Å; L173-M362 HydrophobicContact CD1-SD 4.26Å; L173-M362 HydrophobicContact CD2-SD 3.67Å; L173-M362 HydrophobicContact CG-SD 3.96Å; L173-C365 HydrophobicContact CD1-CB 3.59Å; L173-C365 HydrophobicContact CG-CB 4.49Å
174	T	98.7	Very high	98.3	Very high	11 Å²	11	31.7 Å²	31.7	7%	0.067	16%	0.157	C	C	.	.	H	α-helix	trans	-87.8	-11.9	-177.7	61.3	0	0	0	0	114.4	T170 K171 L172 Y177 E178 L309 K310 A313	T170-T174 WeakPolarHBondContact O-CG2 3.15Å; T170-T174 PolarHBondContact O-N 2.77Å; T170-T174 PolarHBondContact O-OG1 3.07Å; K171-T174 PolarHBondContact O-N 2.89Å; K171-T174 PolarHBondContact O-OG1 2.91Å; L172-T174 PolarHBondContact O-N 3.03Å; L172-T174 VanDerWaalsContact O-N 3.14Å; T174-Y177 CarbonylContact O-C 3.57Å; T174-Y177 PolarHBondContact O-N 2.8Å; T174-E178 PolarHBondContact O-N 2.65Å; T174-L309 HydrophobicContact CG2-CD1 4.1Å; T174-L309 HydrophobicContact CG2-CD2 4.15Å; T174-L309 HydrophobicContact CG2-CG 3.79Å; T174-K310 HydrophobicContact CG2-CG 4.37Å; T174-A313 HydrophobicContact CG2-CB 4.05Å
175	T	98.7	Very high	98.3	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.012	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-52.7	-45.2	-173.2	-70.1	0	0	0	0	114	T63 K171 L172 Y177 E178 W183 F364 W389	T63-T175 HydrophobicContact CG2-CG2 3.96Å; K171-T175 PolarHBondContact O-N 3.24Å; K171-T175 PolarHBondContact O-OG1 2.82Å; L172-T175 WeakPolarHBondContact O-CB 3.48Å; L172-T175 PolarHBondContact O-N 3.47Å; L172-T175 PolarHBondContact O-OG1 2.9Å; T175-Y177 PolarHBondContact O-N 2.96Å; T175-E178 PolarHBondContact O-N 2.84Å; T175-W183 HydrophobicContact CG2-CZ2 4.38Å; T175-W183 PolarHBondContact OG1-NE1 3.36Å; T175-F364 VanDerWaalsContact CB-CE1 3.47Å; T175-F364 HydrophobicContact CG2-CE1 3.72Å; T175-F364 HydrophobicContact CG2-CE2 4.23Å; T175-F364 HydrophobicContact CG2-CZ 3.53Å; T175-W389 HydrophobicContact CG2-CD2 3.74Å; T175-W389 HydrophobicContact CG2-CE3 4.15Å; T175-W389 HydrophobicContact CG2-CG 4.23Å; T175-W389 HydrophobicContact CG2-CH2 4.16Å; T175-W389 HydrophobicContact CG2-CZ2 3.78Å; T175-W389 HydrophobicContact CG2-CZ3 4.33Å
176	P	98.3	Very high	98.3	Very high	8 Å²	8	29.5 Å²	29.5	5%	0.052	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-61.2	-15.8	179	-25.2	35.9	0	0	0	114.8	R65 V360 F364	R65-P176 HydrophobicContact CG-CB 4.05Å; R65-P176 VanDerWaalsContact CG-O 3.31Å; R65-P176 WeakPolarHBondContact CG-O 3.22Å; R65-P176 PolarHBondContact NE-O 2.99Å; P176-V360 HydrophobicContact CB-CG1 3.72Å; P176-V360 HydrophobicContact CG-CG1 4.03Å; P176-F364 HydrophobicContact CG-CB 3.54Å; P176-F364 HydrophobicContact CG-CD1 4.06Å; P176-F364 HydrophobicContact CG-CD2 4.11Å; P176-F364 HydrophobicContact CG-CG 3.61Å
177	Y	97.8	Very high	98.3	Very high	26 Å²	26	28.9 Å²	28.9	10%	0.102	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-117	-6.8	-178.1	-60.8	-74.4	0	0	0	113.6	R65 T174 T175 L309 W356 K357 V360	R65-Y177 HydrophobicContact CG-CD1 4.49Å; R65-Y177 HydrophobicContact CG-CE1 4.06Å; T174-Y177 CarbonylContact O-C 3.57Å; T174-Y177 PolarHBondContact O-N 2.8Å; T175-Y177 PolarHBondContact O-N 2.96Å; Y177-L309 HydrophobicContact CD2-CD2 4.23Å; Y177-L309 HydrophobicContact CG-CD2 4.2Å; Y177-W356 HydrophobicContact CD1-CB 3.87Å; Y177-W356 HydrophobicContact CD2-CB 3.71Å; Y177-W356 HydrophobicContact CE1-CB 3.85Å; Y177-W356 HydrophobicContact CE2-CB 3.67Å; Y177-W356 HydrophobicContact CG-CB 3.82Å; Y177-W356 VanDerWaalsContact CZ-CA 3.47Å; Y177-K357 PolarHBondContact OH-N 3.26Å; Y177-V360 HydrophobicContact CE2-CB 4.02Å; Y177-V360 HydrophobicContact CE2-CG1 3.64Å; Y177-V360 WeakPolarHBondContact OH-CB 3.47Å; Y177-V360 WeakPolarHBondContact OH-CG1 3.23Å
178	E	97.6	Very high	98.3	Very high	29 Å²	29	27.3 Å²	27.3	14%	0.136	13%	0.129	C	C	.	.			trans	-79	134.9	177.8	-177.1	53.7	-98.7	0	0	109.6	T174 T175 R180 E181 K310 W389	T174-E178 PolarHBondContact O-N 2.65Å; T175-E178 PolarHBondContact O-N 2.84Å; E178-R180 WeakPolarHBondContact OE1-CB 3.26Å; E178-R180 PolarHBondContact OE1-N 2.97Å; E178-E181 WeakPolarHBondContact CG-O 3.49Å; E178-E181 PolarHBondContact OE1-N 3.44Å; E178-K310 IonicContact OE2-NZ 3.07Å; E178-K310 PolarHBondContact OE2-NZ 3.03Å; E178-W389 HydrophobicContact CB-CH2 3.76Å; E178-W389 HydrophobicContact CB-CZ3 4.17Å; E178-W389 HydrophobicContact CG-CH2 3.98Å; E178-W389 HydrophobicContact CG-CZ3 4.02Å; E178-W389 WeakPolarHBondContact O-CH2 3.45Å
179	T	96.8	Very high	98.3	Very high	74 Å²	74	30.5 Å²	30.5	45%	0.454	14%	0.141	S	C	.	.			trans	-132	4.1	-174.2	66.2	0	0	0	0	112.7
180	R	96	Very high	98.2	Very high	191 Å²	191	30.7 Å²	30.7	72%	0.721	14%	0.141	S	C	*	.	S	Bend	trans	-123.8	-49.6	-173	-60.8	-176.9	62.2	-168.7	-6.4	112.5	E178	E178-R180 WeakPolarHBondContact OE1-CB 3.26Å; E178-R180 PolarHBondContact OE1-N 2.97Å
181	E	97.2	Very high	98	Very high	87 Å²	87	31.7 Å²	31.7	41%	0.407	15%	0.146	S	C	.	.			trans	-112.9	110.8	-167.4	-68.1	167.8	-167.9	0	0	110.6	E178 W389	E178-E181 WeakPolarHBondContact CG-O 3.49Å; E178-E181 PolarHBondContact OE1-N 3.44Å; E181-W389 WeakPolarHBondContact O-CZ3 3.43Å
182	G	98.2	Very high	97.8	Very high	11 Å²	11	29.7 Å²	29.7	11%	0.113	14%	0.143	C	C	.	.			trans	-70.5	174.3	168.1	0	0	0	0	0	113.1	W389	G182-W389 CarbonylContact C-O 3.58Å; G182-W389 WeakPolarHBondContact CA-O 3.26Å
183	W	98.8	Very high	97.7	Very high	5 Å²	5	29.7 Å²	29.7	2%	0.019	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	156.6	178.4	52.5	-104.5	0	0	0	113.1	K171 L172 T175 L185 F368 F387 W389 V395	K171-W183 HydrophobicContact CD-CB 4.31Å; L172-W183 HydrophobicContact CD2-CH2 4.04Å; L172-W183 HydrophobicContact CD2-CZ2 3.84Å; T175-W183 HydrophobicContact CG2-CZ2 4.38Å; T175-W183 PolarHBondContact OG1-NE1 3.36Å; W183-L185 HydrophobicContact CD2-CD1 4.41Å; W183-L185 HydrophobicContact CD2-CG 4.37Å; W183-L185 HydrophobicContact CE3-CB 4.2Å; W183-L185 HydrophobicContact CE3-CD1 3.85Å; W183-L185 HydrophobicContact CE3-CG 3.61Å; W183-L185 HydrophobicContact CH2-CD1 4.3Å; W183-L185 HydrophobicContact CZ3-CB 4.16Å; W183-L185 HydrophobicContact CZ3-CD1 3.78Å; W183-L185 HydrophobicContact CZ3-CG 3.88Å; W183-F368 HydrophobicContact CH2-CD2 4.22Å; W183-F368 AromaticContact CH2-CE2 3.61Å; W183-F368 HydrophobicContact CH2-CE2 3.61Å; W183-F368 HydrophobicContact CH2-CZ 4.19Å; W183-F368 HydrophobicContact CZ3-CE2 4.19Å; W183-F368 HydrophobicContact CZ3-CZ 4.43Å; W183-F387 HydrophobicContact CZ3-CB 4.07Å; W183-W389 AromaticContact CD1-CE3 3.4Å; W183-W389 AromaticContact CD1-CZ3 3.93Å; W183-W389 HydrophobicContact CD2-CB 3.94Å; W183-W389 AromaticContact CE2-CE3 3.97Å; W183-W389 HydrophobicContact CE3-CB 4.2Å; W183-W389 HydrophobicContact CG-CE3 4.2Å; W183-W389 HydrophobicContact CH2-CB 3.81Å; W183-W389 HydrophobicContact CZ2-CB 3.51Å; W183-W389 HydrophobicContact CZ2-CG 4.04Å; W183-W389 HydrophobicContact CZ3-CB 4.15Å; W183-W389 PolarHBondContact N-O 2.79Å; W183-W389 AromaticContact NE1-CD2 3.8Å; W183-W389 AromaticContact NE1-CE3 3.23Å; W183-W389 AromaticContact NE1-CZ3 3.93Å; W183-W389 PolarHBondContact O-N 2.54Å; W183-V395 HydrophobicContact CH2-CG1 3.79Å; W183-V395 HydrophobicContact CH2-CG2 4.02Å; W183-V395 HydrophobicContact CZ2-CG2 4.15Å; W183-V395 HydrophobicContact CZ3-CG1 4.4Å
184	L	98.8	Very high	97.7	Very high	27 Å²	27	30 Å²	30	14%	0.141	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.3	167.4	-63.8	172.5	0	0	0	109.3	E198 V199 T201 L386 F387 S388	L184-E198 WeakPolarHBondContact O-CA 3.49Å; L184-V199 HydrophobicContact CB-CB 3.89Å; L184-V199 HydrophobicContact CD1-CB 4.46Å; L184-V199 HydrophobicContact CD1-CG1 4.24Å; L184-V199 PolarHBondContact O-N 2.78Å; L184-T201 HydrophobicContact CD1-CG2 4.18Å; L184-T201 HydrophobicContact CG-CG2 3.86Å; L184-L386 HydrophobicContact CB-CD1 4.09Å; L184-L386 HydrophobicContact CD2-CD2 4.45Å; L184-L386 HydrophobicContact CD2-CG 4.38Å; L184-F387 CarbonylContact C-O 3.56Å; L184-F387 WeakPolarHBondContact CA-O 3.37Å; L184-S388 VanDerWaalsContact CD2-OG 3.3Å; L184-S388 WeakPolarHBondContact CD2-OG 3.49Å
185	L	98.9	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	110.4	175.2	-66.5	177.2	0	0	0	109.1	H168 L172 W183 I196 E198 F368 F387	H168-L185 HydrophobicContact CB-CD2 4.14Å; L172-L185 HydrophobicContact CD1-CD1 4.43Å; L172-L185 HydrophobicContact CD2-CD1 3.7Å; L172-L185 HydrophobicContact CG-CD1 4.12Å; W183-L185 HydrophobicContact CD2-CD1 4.41Å; W183-L185 HydrophobicContact CD2-CG 4.37Å; W183-L185 HydrophobicContact CE3-CB 4.2Å; W183-L185 HydrophobicContact CE3-CD1 3.85Å; W183-L185 HydrophobicContact CE3-CG 3.61Å; W183-L185 HydrophobicContact CH2-CD1 4.3Å; W183-L185 HydrophobicContact CZ3-CB 4.16Å; W183-L185 HydrophobicContact CZ3-CD1 3.78Å; W183-L185 HydrophobicContact CZ3-CG 3.88Å; L185-I196 HydrophobicContact CB-CG2 4.02Å; L185-I196 HydrophobicContact CD1-CG2 4.23Å; L185-I196 HydrophobicContact CD2-CG2 4.15Å; L185-I196 HydrophobicContact CG-CG2 4.36Å; L185-E198 HydrophobicContact CD2-CB 4.01Å; L185-F368 HydrophobicContact CD1-CE1 4.22Å; L185-F368 HydrophobicContact CD1-CZ 3.95Å; L185-F387 HydrophobicContact CB-CB 4.5Å; L185-F387 PolarHBondContact N-O 2.84Å; L185-F387 PolarHBondContact O-N 3.27Å
186	A	98.9	Very high	97.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	127.6	171.1	0	0	0	0	0	109.4	I196 S197 V199 V384 L386 F407	A186-I196 WeakPolarHBondContact O-CA 3.48Å; A186-S197 WeakPolarHBondContact CB-O 3.49Å; A186-S197 PolarHBondContact N-O 2.87Å; A186-S197 PolarHBondContact O-N 3.41Å; A186-V199 HydrophobicContact CB-CG2 3.75Å; A186-V384 HydrophobicContact CB-CG1 3.61Å; A186-L386 HydrophobicContact CB-CD1 4.17Å; A186-F407 HydrophobicContact CB-CD1 3.8Å; A186-F407 HydrophobicContact CB-CE1 3.83Å; A186-F407 WeakPolarHBondContact O-CE1 3.35Å
187	V	98.9	Very high	97.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.5	176.6	-175.4	0	0	0	0	110.5	L194 Y195 I196 V372 A376 V384 Y385 F387	V187-L194 HydrophobicContact CG1-CB 4.43Å; V187-L194 HydrophobicContact CG1-CD2 3.85Å; V187-Y195 VanDerWaalsContact CA-O 3.29Å; V187-Y195 WeakPolarHBondContact CA-O 3.49Å; V187-I196 HydrophobicContact CG1-CG1 4.48Å; V187-I196 HydrophobicContact CG2-CB 4.48Å; V187-I196 HydrophobicContact CG2-CG1 4.04Å; V187-I196 HydrophobicContact CG2-CG2 4.23Å; V187-V372 HydrophobicContact CB-CG1 4.33Å; V187-V372 HydrophobicContact CG1-CG1 3.61Å; V187-V372 HydrophobicContact CG2-CG1 4.14Å; V187-V372 HydrophobicContact CG2-CG2 4.47Å; V187-A376 HydrophobicContact CG1-CB 4.2Å; V187-V384 WeakPolarHBondContact O-CA 3.48Å; V187-Y385 PolarHBondContact N-O 3.44Å; V187-Y385 PolarHBondContact O-N 2.86Å; V187-F387 HydrophobicContact CB-CD2 4.23Å; V187-F387 HydrophobicContact CB-CE2 4.04Å; V187-F387 HydrophobicContact CG2-CD2 3.62Å; V187-F387 HydrophobicContact CG2-CE2 3.78Å
188	T	98.7	Very high	97.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.8	174.7	-70.3	0	0	0	0	108.8	Y195 V383 F407 L408	T188-Y195 PolarHBondContact N-O 3.49Å; T188-Y195 VanDerWaalsContact N-O 3.11Å; T188-Y195 PolarHBondContact O-N 3.43Å; T188-V383 WeakPolarHBondContact CB-O 3.42Å; T188-V383 WeakPolarHBondContact CG2-O 3.26Å; T188-V383 PolarHBondContact OG1-O 3.28Å; T188-F407 WeakPolarHBondContact OG1-CE1 3.48Å; T188-L408 HydrophobicContact CG2-CD1 3.81Å; T188-L408 HydrophobicContact CG2-CG 4.41Å
189	R	98.5	Very high	97.8	Very high	81 Å²	81	30.9 Å²	30.9	31%	0.306	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.5	170.2	-168.3	179.6	-170.7	-177.8	2.6	108.9	G192 T193 L194 T377 E378 D379 N380	R189-G192 PolarHBondContact NE-O 3.06Å; R189-T193 WeakPolarHBondContact CA-O 3.23Å; R189-L194 HydrophobicContact CB-CD2 3.74Å; R189-L194 HydrophobicContact CG-CD2 4.06Å; R189-L194 HydrophobicContact CG-CG 4.38Å; R189-T377 PolarHBondContact NH1-O 3.43Å; R189-E378 WeakPolarHBondContact CB-O 3.49Å; R189-D379 HydrophobicContact CG-CB 4.39Å; R189-N380 CarbonylContact O-C 3.44Å; R189-N380 PolarHBondContact O-N 3.2Å
190	F	97	Very high	97.9	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.026	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	120.7	178.2	174.2	-123	0	0	0	110.7	G192 T193 Y195 D379 P381 L408 Y412 I413 M416	F190-G192 VanDerWaalsContact C-N 3.32Å; F190-G192 PolarHBondContact O-N 2.98Å; F190-T193 PolarHBondContact N-O 3Å; F190-T193 PolarHBondContact O-N 2.98Å; F190-Y195 HydrophobicContact CB-CD2 4.32Å; F190-Y195 HydrophobicContact CB-CE2 3.98Å; F190-Y195 HydrophobicContact CD1-CE2 4.32Å; F190-D379 WeakPolarHBondContact CA-OD1 3.31Å; F190-P381 HydrophobicContact CB-CB 4.46Å; F190-P381 HydrophobicContact CD2-CB 4.01Å; F190-P381 HydrophobicContact CD2-CG 3.93Å; F190-P381 HydrophobicContact CE2-CG 4.2Å; F190-P381 HydrophobicContact CG-CB 4.28Å; F190-L408 HydrophobicContact CB-CD1 3.58Å; F190-L408 HydrophobicContact CD1-CD1 3.97Å; F190-L408 HydrophobicContact CG-CD1 3.99Å; F190-Y412 HydrophobicContact CD1-CD1 4.43Å; F190-Y412 HydrophobicContact CD1-CE1 4.08Å; F190-Y412 HydrophobicContact CE1-CD1 4.23Å; F190-Y412 HydrophobicContact CE1-CE1 4.1Å; F190-I413 HydrophobicContact CE1-CG1 4.4Å; F190-I413 HydrophobicContact CE2-CG2 4.04Å; F190-I413 HydrophobicContact CZ-CB 4.18Å; F190-I413 HydrophobicContact CZ-CG1 4.35Å; F190-I413 HydrophobicContact CZ-CG2 3.84Å; F190-M416 HydrophobicContact CE1-CB 3.74Å; F190-M416 HydrophobicContact CE1-CG 4.41Å; F190-M416 HydrophobicContact CZ-CB 4.12Å
191	N	93.8	Very high	98	Very high	42 Å²	42	21.7 Å²	21.7	23%	0.225	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	49	-175.7	-65.1	-17.2	0	0	0	112.3	C156 P157 T193 D379	C156-N191 PolarHBondContact SG-O 3.19Å; P157-N191 WeakPolarHBondContact CD-O 3.09Å; P157-N191 HydrophobicContact CG-CB 3.87Å; N191-T193 VanDerWaalsContact C-N 3.26Å; N191-T193 PolarHBondContact O-N 2.88Å; N191-D379 PolarHBondContact N-OD1 2.61Å; N191-D379 PolarHBondContact N-OD2 3.01Å
192	G	94.3	Very high	98	Very high	22 Å²	22	21.5 Å²	21.5	23%	0.227	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	-28.3	178.6	0	0	0	0	0	115.2	R189 F190 D379	R189-G192 PolarHBondContact NE-O 3.06Å; F190-G192 VanDerWaalsContact C-N 3.32Å; F190-G192 PolarHBondContact O-N 2.98Å; G192-D379 PolarHBondContact N-OD2 2.83Å
193	T	97.3	Very high	98	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	139.6	-177.4	-58.4	0	0	0	0	112.4	L158 F160 V163 R189 F190 N191 Y195	L158-T193 HydrophobicContact CD1-CG2 4.5Å; F160-T193 PolarHBondContact O-OG1 2.82Å; F160-T193 VanDerWaalsContact O-OG1 3.13Å; V163-T193 HydrophobicContact CB-CG2 4.32Å; V163-T193 HydrophobicContact CG2-CG2 3.65Å; R189-T193 WeakPolarHBondContact CA-O 3.23Å; F190-T193 PolarHBondContact N-O 3Å; F190-T193 PolarHBondContact O-N 2.98Å; N191-T193 VanDerWaalsContact C-N 3.26Å; N191-T193 PolarHBondContact O-N 2.88Å; T193-Y195 HydrophobicContact CG2-CD2 4.32Å; T193-Y195 HydrophobicContact CG2-CE1 4.47Å; T193-Y195 HydrophobicContact CG2-CE2 3.83Å
194	L	98.8	Very high	97.9	Very high	7 Å²	7	25 Å²	25	4%	0.037	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.7	174.3	-70.1	156.7	0	0	0	110.5	D161 F162 V163 V187 R189 V372 K373 A376	D161-L194 WeakPolarHBondContact O-CB 3.13Å; D161-L194 PolarHBondContact O-N 2.89Å; F162-L194 CarbonylContact C-O 3.54Å; F162-L194 VanDerWaalsContact CA-O 3.23Å; F162-L194 WeakPolarHBondContact CA-O 3.32Å; F162-L194 HydrophobicContact CD1-CB 3.63Å; F162-L194 HydrophobicContact CD1-CD1 4.27Å; F162-L194 HydrophobicContact CE1-CB 3.76Å; F162-L194 HydrophobicContact CE1-CD1 3.61Å; F162-L194 HydrophobicContact CE1-CG 4.31Å; F162-L194 HydrophobicContact CZ-CD1 3.89Å; V163-L194 PolarHBondContact N-O 3.04Å; V187-L194 HydrophobicContact CG1-CB 4.43Å; V187-L194 HydrophobicContact CG1-CD2 3.85Å; R189-L194 HydrophobicContact CB-CD2 3.74Å; R189-L194 HydrophobicContact CG-CD2 4.06Å; R189-L194 HydrophobicContact CG-CG 4.38Å; L194-V372 HydrophobicContact CD1-CG1 4.26Å; L194-V372 HydrophobicContact CD2-CG1 4.3Å; L194-K373 HydrophobicContact CD1-CB 4.43Å; L194-K373 HydrophobicContact CD1-CG 3.69Å; L194-A376 HydrophobicContact CD2-CB 3.81Å
195	Y	98.9	Very high	97.9	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135.3	175.7	-59.9	-101.3	0	0	0	109	L132 L136 L158 V163 V187 T188 F190 T193 F407 L408 Y412	L132-Y195 HydrophobicContact CD1-CD1 4.35Å; L136-Y195 HydrophobicContact CD2-CD1 3.86Å; L136-Y195 HydrophobicContact CD2-CE1 3.68Å; L158-Y195 WeakPolarHBondContact CD1-OH 3.28Å; V163-Y195 HydrophobicContact CB-CD1 3.57Å; V163-Y195 HydrophobicContact CB-CE1 3.76Å; V163-Y195 HydrophobicContact CB-CG 4.34Å; V163-Y195 HydrophobicContact CG1-CD1 3.71Å; V163-Y195 HydrophobicContact CG1-CE1 3.87Å; V163-Y195 HydrophobicContact CG2-CD1 4.3Å; V163-Y195 HydrophobicContact CG2-CE1 3.98Å; V163-Y195 WeakPolarHBondContact O-CA 3.4Å; V187-Y195 VanDerWaalsContact CA-O 3.29Å; V187-Y195 WeakPolarHBondContact CA-O 3.49Å; T188-Y195 PolarHBondContact N-O 3.49Å; T188-Y195 VanDerWaalsContact N-O 3.11Å; T188-Y195 PolarHBondContact O-N 3.43Å; F190-Y195 HydrophobicContact CB-CD2 4.32Å; F190-Y195 HydrophobicContact CB-CE2 3.98Å; F190-Y195 HydrophobicContact CD1-CE2 4.32Å; T193-Y195 HydrophobicContact CG2-CD2 4.32Å; T193-Y195 HydrophobicContact CG2-CE1 4.47Å; T193-Y195 HydrophobicContact CG2-CE2 3.83Å; Y195-F407 WeakPolarHBondContact O-CZ 3.5Å; Y195-L408 HydrophobicContact CD1-CD2 3.93Å; Y195-L408 HydrophobicContact CD2-CD1 3.99Å; Y195-L408 HydrophobicContact CD2-CD2 4.28Å; Y195-L408 HydrophobicContact CE1-CD2 4.46Å; Y195-L408 HydrophobicContact CE2-CD1 4.35Å; Y195-L408 HydrophobicContact CG-CD1 4.37Å; Y195-L408 HydrophobicContact CG-CD2 3.85Å; Y195-Y412 AromaticContact CE1-CE1 3.9Å; Y195-Y412 HydrophobicContact CE1-CE1 3.9Å; Y195-Y412 AromaticContact CE1-CZ 3.99Å; Y195-Y412 WeakPolarHBondContact CE1-OH 3.47Å; Y195-Y412 AromaticContact CZ-CE1 3.8Å; Y195-Y412 PolarHBondContact OH-OH 3.08Å
196	I	98.9	Very high	97.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.6	179.2	-50.5	179.6	0	0	0	108.8	F162 V163 T164 H168 L185 A186 V187 L369	F162-I196 HydrophobicContact CD1-CD1 3.77Å; F162-I196 HydrophobicContact CD1-CG1 4.23Å; F162-I196 HydrophobicContact CE1-CD1 4.16Å; V163-I196 PolarHBondContact O-N 3.49Å; T164-I196 WeakPolarHBondContact CB-O 3.31Å; T164-I196 PolarHBondContact OG1-O 2.81Å; H168-I196 PolarHBondContact ND1-O 2.9Å; L185-I196 HydrophobicContact CB-CG2 4.02Å; L185-I196 HydrophobicContact CD1-CG2 4.23Å; L185-I196 HydrophobicContact CD2-CG2 4.15Å; L185-I196 HydrophobicContact CG-CG2 4.36Å; A186-I196 WeakPolarHBondContact O-CA 3.48Å; V187-I196 HydrophobicContact CG1-CG1 4.48Å; V187-I196 HydrophobicContact CG2-CB 4.48Å; V187-I196 HydrophobicContact CG2-CG1 4.04Å; V187-I196 HydrophobicContact CG2-CG2 4.23Å; I196-L369 HydrophobicContact CD1-CD2 4.07Å
197	S	98.8	Very high	97.7	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.9	176.3	-173.7	0	0	0	0	110.6	A186	A186-S197 WeakPolarHBondContact CB-O 3.49Å; A186-S197 PolarHBondContact N-O 2.87Å; A186-S197 PolarHBondContact O-N 3.41Å
198	E	98.6	Very high	97.5	Very high	61 Å²	61	41.9 Å²	41.9	29%	0.285	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	145.6	171.4	176.3	173.7	-177.3	0	0	112.1	H168 K171 L184 L185	H168-E198 WeakPolarHBondContact CD2-CB 3.41Å; H168-E198 IonicContact CD2-OE2 3.51Å; H168-E198 PolarHBondContact CE1-N 2.84Å; H168-E198 WeakPolarHBondContact NE2-CB 3.3Å; H168-E198 PolarHBondContact NE2-N 2.67Å; H168-E198 VanDerWaalsContact NE2-N 3.14Å; K171-E198 VanDerWaalsContact CE-OE2 3.24Å; K171-E198 WeakPolarHBondContact CE-OE2 3.34Å; K171-E198 IonicContact NZ-OE1 3.36Å; K171-E198 PolarHBondContact NZ-OE1 2.91Å; K171-E198 IonicContact NZ-OE2 2.62Å; K171-E198 PolarHBondContact NZ-OE2 2.97Å; L184-E198 WeakPolarHBondContact O-CA 3.49Å; L185-E198 HydrophobicContact CD2-CB 4.01Å
199	V	98.6	Very high	97.4	Very high	29 Å²	29	46.4 Å²	46.4	18%	0.176	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.5	167.7	180	0	0	0	0	107.7	L184 A186 T201 L386 Y405	L184-V199 HydrophobicContact CB-CB 3.89Å; L184-V199 HydrophobicContact CD1-CB 4.46Å; L184-V199 HydrophobicContact CD1-CG1 4.24Å; L184-V199 PolarHBondContact O-N 2.78Å; A186-V199 HydrophobicContact CB-CG2 3.75Å; V199-T201 PolarHBondContact O-N 2.83Å; V199-L386 HydrophobicContact CB-CD1 4.38Å; V199-L386 HydrophobicContact CG2-CD1 3.96Å; V199-Y405 HydrophobicContact CG1-CD1 3.97Å; V199-Y405 HydrophobicContact CG1-CE1 3.89Å; V199-Y405 HydrophobicContact CG2-CD1 4.11Å
200	E	98.3	Very high	97.3	Very high	58 Å²	58	48.3 Å²	48.3	27%	0.271	24%	0.244	S	C	.	.			trans	-62	125	176.6	-174.1	174.6	-132.6	0	0	109.7	K129 A204 R205 R208	K129-E200 VanDerWaalsContact CE-OE2 3.22Å; K129-E200 WeakPolarHBondContact CE-OE2 3.46Å; K129-E200 VanDerWaalsContact NZ-CD 3.3Å; K129-E200 IonicContact NZ-OE1 2.68Å; K129-E200 PolarHBondContact NZ-OE1 3.14Å; K129-E200 IonicContact NZ-OE2 3.87Å; K129-E200 PolarHBondContact NZ-OE2 2.85Å; E200-A204 HydrophobicContact CG-CB 4.11Å; E200-R205 HydrophobicContact CG-CB 4.06Å; E200-R208 IonicContact OE1-CZ 3.79Å; E200-R208 IonicContact OE1-NE 3.91Å; E200-R208 PolarHBondContact OE1-NE 3.39Å; E200-R208 IonicContact OE1-NH2 2.87Å; E200-R208 IonicContact OE2-NE 3.69Å; E200-R208 IonicContact OE2-NH2 2.74Å; E200-R208 PolarHBondContact OE2-NH2 3.45Å
201	T	98.3	Very high	97.3	Very high	13 Å²	13	50.8 Å²	50.8	8%	0.08	25%	0.253	C	S	.	.			trans	-70	155.9	173.3	62.9	0	0	0	0	109.8	L184 V199 A203 A204 R205	L184-T201 HydrophobicContact CD1-CG2 4.18Å; L184-T201 HydrophobicContact CG-CG2 3.86Å; V199-T201 PolarHBondContact O-N 2.83Å; T201-A203 PolarHBondContact O-N 3.19Å; T201-A204 PolarHBondContact O-N 3.04Å; T201-A204 WeakPolarHBondContact OG1-CB 3.16Å; T201-A204 PolarHBondContact OG1-N 3.31Å; T201-R205 WeakPolarHBondContact O-CB 3.34Å; T201-R205 PolarHBondContact O-N 3.19Å
202	E	97.5	Very high	97.5	Very high	84 Å²	84	52.3 Å²	52.3	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-61	-35	174.6	179.3	57.4	-162.6	0	0	111.8	R205 R206	E202-R205 VanDerWaalsContact CD-NH2 3.29Å; E202-R205 IonicContact OE1-CZ 3.5Å; E202-R205 IonicContact OE1-NE 3.84Å; E202-R205 IonicContact OE1-NH2 3.25Å; E202-R205 PolarHBondContact OE1-NH2 3.24Å; E202-R205 IonicContact OE2-CZ 2.75Å; E202-R205 VanDerWaalsContact OE2-CZ 3.31Å; E202-R205 IonicContact OE2-NE 3.8Å; E202-R205 PolarHBondContact OE2-NE 3.45Å; E202-R205 IonicContact OE2-NH2 2.85Å; E202-R205 PolarHBondContact OE2-NH2 2.85Å; E202-R206 VanDerWaalsContact O-CG 3.3Å; E202-R206 WeakPolarHBondContact O-CG 3.29Å; E202-R206 PolarHBondContact O-N 3.05Å; E202-R206 IonicContact OE1-CZ 3.86Å; E202-R206 IonicContact OE1-NE 3.84Å; E202-R206 PolarHBondContact OE1-NE 3.38Å; E202-R206 IonicContact OE1-NH2 3.7Å; E202-R206 PolarHBondContact OE1-NH2 2.8Å
203	A	97.6	Very high	97.5	Very high	57 Å²	57	56.3 Å²	56.3	47%	0.471	28%	0.278	S	S	.	.	H	α-helix	trans	-62.8	-49.9	173.6	0	0	0	0	0	111.7	T201 R205 R206 E207	T201-A203 PolarHBondContact O-N 3.19Å; A203-R205 VanDerWaalsContact C-N 3.32Å; A203-R205 PolarHBondContact O-N 3.48Å; A203-R206 PolarHBondContact O-N 3.14Å; A203-E207 WeakPolarHBondContact O-CG 3.38Å; A203-E207 PolarHBondContact O-N 3.14Å
204	A	97.5	Very high	97.4	Very high	32 Å²	32	60.5 Å²	60.5	26%	0.264	29%	0.294	S	S	.	.	H	α-helix	trans	-62.2	-38.6	178.3	0	0	0	0	0	112.2	E200 T201 E207 R208	E200-A204 HydrophobicContact CG-CB 4.11Å; T201-A204 PolarHBondContact O-N 3.04Å; T201-A204 WeakPolarHBondContact OG1-CB 3.16Å; T201-A204 PolarHBondContact OG1-N 3.31Å; A204-E207 PolarHBondContact O-N 2.55Å; A204-R208 WeakPolarHBondContact O-CB 3.19Å; A204-R208 PolarHBondContact O-N 3.28Å
205	R	97.3	Very high	97.2	Very high	94 Å²	94	64 Å²	64	36%	0.355	31%	0.313	S	S	.	.	H	α-helix	trans	-59.3	-49.1	174.2	-176.1	176.6	77.5	107	-5	111.4	E200 T201 E202 A203 E207 R208 E209	E200-R205 HydrophobicContact CG-CB 4.06Å; T201-R205 WeakPolarHBondContact O-CB 3.34Å; T201-R205 PolarHBondContact O-N 3.19Å; E202-R205 VanDerWaalsContact CD-NH2 3.29Å; E202-R205 IonicContact OE1-CZ 3.5Å; E202-R205 IonicContact OE1-NE 3.84Å; E202-R205 IonicContact OE1-NH2 3.25Å; E202-R205 PolarHBondContact OE1-NH2 3.24Å; E202-R205 IonicContact OE2-CZ 2.75Å; E202-R205 VanDerWaalsContact OE2-CZ 3.31Å; E202-R205 IonicContact OE2-NE 3.8Å; E202-R205 PolarHBondContact OE2-NE 3.45Å; E202-R205 IonicContact OE2-NH2 2.85Å; E202-R205 PolarHBondContact OE2-NH2 2.85Å; A203-R205 VanDerWaalsContact C-N 3.32Å; A203-R205 PolarHBondContact O-N 3.48Å; R205-E207 VanDerWaalsContact C-N 3.34Å; R205-E207 PolarHBondContact O-N 2.96Å; R205-R208 PolarHBondContact O-N 3.46Å; R205-E209 HydrophobicContact CG-CG 4.4Å; R205-E209 VanDerWaalsContact CG-OE1 3.26Å; R205-E209 WeakPolarHBondContact CG-OE1 3.43Å; R205-E209 IonicContact CZ-OE1 2.74Å; R205-E209 IonicContact NE-OE1 3.88Å; R205-E209 IonicContact NH1-OE1 3.9Å; R205-E209 PolarHBondContact NH1-OE1 3.17Å; R205-E209 IonicContact NH1-OE2 2.79Å; R205-E209 WeakPolarHBondContact O-CB 3.3Å; R205-E209 WeakPolarHBondContact O-CG 3.45Å; R205-E209 PolarHBondContact O-N 3.38Å
206	R	97.3	Very high	97.1	Very high	145 Å²	145	67.2 Å²	67.2	55%	0.547	33%	0.327	S	S	.	.	H	α-helix	trans	-62.3	-41	177.9	-71.5	173.5	-172.5	-168.8	1.2	112.1	E202 A203 R208 N210	E202-R206 VanDerWaalsContact O-CG 3.3Å; E202-R206 WeakPolarHBondContact O-CG 3.29Å; E202-R206 PolarHBondContact O-N 3.05Å; E202-R206 IonicContact OE1-CZ 3.86Å; E202-R206 IonicContact OE1-NE 3.84Å; E202-R206 PolarHBondContact OE1-NE 3.38Å; E202-R206 IonicContact OE1-NH2 3.7Å; E202-R206 PolarHBondContact OE1-NH2 2.8Å; A203-R206 PolarHBondContact O-N 3.14Å; R206-R208 VanDerWaalsContact C-N 3.33Å; R206-N210 VanDerWaalsContact O-CB 3.32Å; R206-N210 WeakPolarHBondContact O-CB 3.48Å; R206-N210 PolarHBondContact O-N 3.1Å; R206-N210 PolarHBondContact O-ND2 2.88Å
207	E	96.3	Very high	97	Very high	114 Å²	114	68.2 Å²	68.2	53%	0.533	33%	0.331	S	S	.	.	H	α-helix	trans	-64.7	-37.4	176.5	-73.7	-173.3	162	0	0	112.4	A203 A204 R205 R211	A203-E207 WeakPolarHBondContact O-CG 3.38Å; A203-E207 PolarHBondContact O-N 3.14Å; A204-E207 PolarHBondContact O-N 2.55Å; R205-E207 VanDerWaalsContact C-N 3.34Å; R205-E207 PolarHBondContact O-N 2.96Å; E207-R211 WeakPolarHBondContact O-CA 3.38Å; E207-R211 WeakPolarHBondContact O-CB 3.38Å; E207-R211 PolarHBondContact O-N 3.06Å; E207-R211 VanDerWaalsContact O-N 3.16Å
208	R	96.1	Very high	96.8	Very high	29 Å²	29	71.7 Å²	71.7	11%	0.109	35%	0.348	C	S	.	.	H	α-helix	trans	-67.4	-50.6	174.8	-179.6	178.2	61.1	83.2	2.6	111.8	N127 E200 A204 R205 R206 N210 R211	N127-R208 PolarHBondContact OD1-NH1 3.37Å; N127-R208 PolarHBondContact OD1-NH2 2.99Å; E200-R208 IonicContact OE1-CZ 3.79Å; E200-R208 IonicContact OE1-NE 3.91Å; E200-R208 PolarHBondContact OE1-NE 3.39Å; E200-R208 IonicContact OE1-NH2 2.87Å; E200-R208 IonicContact OE2-NE 3.69Å; E200-R208 IonicContact OE2-NH2 2.74Å; E200-R208 PolarHBondContact OE2-NH2 3.45Å; A204-R208 WeakPolarHBondContact O-CB 3.19Å; A204-R208 PolarHBondContact O-N 3.28Å; R205-R208 PolarHBondContact O-N 3.46Å; R206-R208 VanDerWaalsContact C-N 3.33Å; R208-N210 VanDerWaalsContact C-N 3.31Å; R208-N210 PolarHBondContact O-N 2.58Å; R208-R211 WeakPolarHBondContact O-CB 3.5Å; R208-R211 PolarHBondContact O-N 2.84Å
209	E	96.2	Very high	96.7	Very high	95 Å²	95	72 Å²	72	44%	0.444	35%	0.35	S	S	.	.	H	α-helix	trans	-62.7	-37.8	-178.5	-72.2	171.8	-176.7	0	0	111.6	R205	R205-E209 HydrophobicContact CG-CG 4.4Å; R205-E209 VanDerWaalsContact CG-OE1 3.26Å; R205-E209 WeakPolarHBondContact CG-OE1 3.43Å; R205-E209 IonicContact CZ-OE1 2.74Å; R205-E209 IonicContact NE-OE1 3.88Å; R205-E209 IonicContact NH1-OE1 3.9Å; R205-E209 PolarHBondContact NH1-OE1 3.17Å; R205-E209 IonicContact NH1-OE2 2.79Å; R205-E209 WeakPolarHBondContact O-CB 3.3Å; R205-E209 WeakPolarHBondContact O-CG 3.45Å; R205-E209 PolarHBondContact O-N 3.38Å
210	N	96.8	Very high	96.7	Very high	121 Å²	121	70.6 Å²	70.6	65%	0.647	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	18	-178.7	-60	-66.6	0	0	0	113.7	R206 R208 P212	R206-N210 VanDerWaalsContact O-CB 3.32Å; R206-N210 WeakPolarHBondContact O-CB 3.48Å; R206-N210 PolarHBondContact O-N 3.1Å; R206-N210 PolarHBondContact O-ND2 2.88Å; R208-N210 VanDerWaalsContact C-N 3.31Å; R208-N210 PolarHBondContact O-N 2.58Å; N210-P212 WeakPolarHBondContact O-CD 3.4Å
211	R	96.4	Very high	96.7	Very high	57 Å²	57	67.9 Å²	67.9	22%	0.215	33%	0.329	C	S	.	.			trans	-60.2	123	-175.6	-172.1	176.3	-68.1	146	-2.5	110.7	E126 E207 R208 N215 K216 M219	E126-R211 IonicContact OE1-NH1 2.6Å; E126-R211 PolarHBondContact OE1-NH1 2.79Å; E126-R211 IonicContact OE2-NH1 2.93Å; E126-R211 PolarHBondContact OE2-NH1 3.32Å; E207-R211 WeakPolarHBondContact O-CA 3.38Å; E207-R211 WeakPolarHBondContact O-CB 3.38Å; E207-R211 PolarHBondContact O-N 3.06Å; E207-R211 VanDerWaalsContact O-N 3.16Å; R208-R211 WeakPolarHBondContact O-CB 3.5Å; R208-R211 PolarHBondContact O-N 2.84Å; R211-N215 HydrophobicContact CG-CB 3.81Å; R211-K216 HydrophobicContact CB-CG 4.39Å; R211-K216 HydrophobicContact CG-CG 4Å; R211-K216 WeakPolarHBondContact O-CE 3.49Å; R211-M219 WeakPolarHBondContact CD-SD 3.44Å; R211-M219 VanDerWaalsContact NH1-CE 3.25Å; R211-M219 PolarHBondContact NH1-SD 3.16Å
212	P	97.3	Very high	96.7	Very high	75 Å²	75	68.3 Å²	68.3	49%	0.487	34%	0.336	S	S	.	.			trans	-59.3	149	177.3	-25.5	34.6	0	0	0	112.4	N210 R214 N215 K216	N210-P212 WeakPolarHBondContact O-CD 3.4Å; P212-R214 VanDerWaalsContact C-N 3.29Å; P212-R214 PolarHBondContact O-N 2.98Å; P212-N215 WeakPolarHBondContact O-CB 3.39Å; P212-N215 PolarHBondContact O-N 2.93Å; P212-K216 PolarHBondContact O-N 2.95Å; P212-K216 VanDerWaalsContact O-N 3.14Å
213	E	95.8	Very high	96.7	Very high	106 Å²	106	67.4 Å²	67.4	50%	0.495	33%	0.329	S	S	.	.	H	α-helix	trans	-59.2	-39.8	-176.7	-171.2	53.9	-142.6	0	0	112.7	Y117 N215 K216 E217	Y117-E213 WeakPolarHBondContact CE1-OE1 3.47Å; Y117-E213 PolarHBondContact OH-OE1 3.42Å; E213-N215 PolarHBondContact O-N 3.36Å; E213-K216 WeakPolarHBondContact O-CB 3.24Å; E213-K216 PolarHBondContact O-N 3.21Å; E213-K216 VanDerWaalsContact O-N 3.07Å; E213-K216 WeakPolarHBondContact OE2-CD 3.35Å; E213-K216 IonicContact OE2-NZ 3.69Å; E213-E217 PolarHBondContact O-N 3.39Å
214	R	94.1	Very high	96.8	Very high	89 Å²	89	64.7 Å²	64.7	34%	0.336	31%	0.307	S	S	.	.	H	α-helix	trans	-59.8	-35.1	175	-174.4	56.9	167.9	-176.9	-2.9	112.6	P212 E217 M218 H330	P212-R214 VanDerWaalsContact C-N 3.29Å; P212-R214 PolarHBondContact O-N 2.98Å; R214-E217 WeakPolarHBondContact CD-OE2 3.4Å; R214-E217 IonicContact CZ-OE2 2.87Å; R214-E217 IonicContact NE-OE2 3.22Å; R214-E217 IonicContact NH1-OE1 3.99Å; R214-E217 IonicContact NH1-OE2 2.75Å; R214-E217 PolarHBondContact NH1-OE2 3.01Å; R214-E217 PolarHBondContact O-N 2.9Å; R214-M218 HydrophobicContact CG-CE 4.14Å; R214-M218 WeakPolarHBondContact O-CG 3.38Å; R214-M218 PolarHBondContact O-N 3.31Å; R214-H330 PolarHBondContact NH2-O 3.25Å
215	N	95.1	Very high	96.9	Very high	81 Å²	81	63.2 Å²	63.2	43%	0.433	29%	0.294	S	S	.	.	H	α-helix	trans	-72.7	-35.2	177.2	-67.2	16.8	0	0	0	111	R211 P212 E213 E217 M218 M219	R211-N215 HydrophobicContact CG-CB 3.81Å; P212-N215 WeakPolarHBondContact O-CB 3.39Å; P212-N215 PolarHBondContact O-N 2.93Å; E213-N215 PolarHBondContact O-N 3.36Å; N215-E217 VanDerWaalsContact C-N 3.35Å; N215-M218 PolarHBondContact O-N 3.01Å; N215-M219 WeakPolarHBondContact O-CG 3.34Å; N215-M219 PolarHBondContact O-N 3.24Å
216	K	95.9	Very high	96.9	Very high	69 Å²	69	59.6 Å²	59.6	30%	0.3	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-39.7	173.3	-64.8	173.2	-178.8	163.7	0	111.5	Y117 R211 P212 E213 M219 Y220	Y117-K216 WeakPolarHBondContact OH-CB 3.24Å; R211-K216 HydrophobicContact CB-CG 4.39Å; R211-K216 HydrophobicContact CG-CG 4Å; R211-K216 WeakPolarHBondContact O-CE 3.49Å; P212-K216 PolarHBondContact O-N 2.95Å; P212-K216 VanDerWaalsContact O-N 3.14Å; E213-K216 WeakPolarHBondContact O-CB 3.24Å; E213-K216 PolarHBondContact O-N 3.21Å; E213-K216 VanDerWaalsContact O-N 3.07Å; E213-K216 WeakPolarHBondContact OE2-CD 3.35Å; E213-K216 IonicContact OE2-NZ 3.69Å; K216-M219 WeakPolarHBondContact O-CB 3.31Å; K216-M219 PolarHBondContact O-N 3.06Å; K216-Y220 PolarHBondContact O-N 2.86Å
217	E	96.7	Very high	97	Very high	22 Å²	22	53.8 Å²	53.8	10%	0.103	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-44.7	172.1	-170.3	-176.5	-155.7	0	0	110.9	R114 Y117 E213 R214 N215 M219 Y220 W221	R114-E217 IonicContact CZ-OE1 3.82Å; R114-E217 IonicContact NE-OE1 3.73Å; R114-E217 PolarHBondContact NE-OE1 2.91Å; R114-E217 IonicContact NH2-OE1 3.98Å; R114-E217 PolarHBondContact NH2-OE1 3.28Å; Y117-E217 HydrophobicContact CD1-CB 4.25Å; Y117-E217 HydrophobicContact CD1-CG 3.9Å; Y117-E217 HydrophobicContact CD2-CG 4.46Å; Y117-E217 HydrophobicContact CE1-CB 3.87Å; Y117-E217 HydrophobicContact CE1-CG 4.05Å; Y117-E217 HydrophobicContact CE2-CB 4.25Å; Y117-E217 HydrophobicContact CG-CG 4.14Å; Y117-E217 PolarHBondContact OH-N 2.88Å; E213-E217 PolarHBondContact O-N 3.39Å; R214-E217 WeakPolarHBondContact CD-OE2 3.4Å; R214-E217 IonicContact CZ-OE2 2.87Å; R214-E217 IonicContact NE-OE2 3.22Å; R214-E217 IonicContact NH1-OE1 3.99Å; R214-E217 IonicContact NH1-OE2 2.75Å; R214-E217 PolarHBondContact NH1-OE2 3.01Å; R214-E217 PolarHBondContact O-N 2.9Å; N215-E217 VanDerWaalsContact C-N 3.35Å; E217-M219 VanDerWaalsContact C-N 3.27Å; E217-M219 PolarHBondContact O-N 3.22Å; E217-Y220 VanDerWaalsContact O-CB 3.3Å; E217-Y220 WeakPolarHBondContact O-CB 3.33Å; E217-Y220 PolarHBondContact O-N 3.16Å; E217-Y220 VanDerWaalsContact O-N 3.1Å; E217-W221 HydrophobicContact CG-CZ2 4.37Å; E217-W221 PolarHBondContact O-N 3.44Å; E217-W221 VanDerWaalsContact O-N 3.08Å
218	M	95.5	Very high	97.1	Very high	74 Å²	74	49.9 Å²	49.9	37%	0.365	24%	0.241	S	C	.	.	H	α-helix	trans	-64.8	-25.7	176	-71.5	-171.5	-177.2	0	0	114.4	R214 N215 W221	R214-M218 HydrophobicContact CG-CE 4.14Å; R214-M218 WeakPolarHBondContact O-CG 3.38Å; R214-M218 PolarHBondContact O-N 3.31Å; N215-M218 PolarHBondContact O-N 3.01Å; M218-W221 HydrophobicContact CB-CE3 4.18Å; M218-W221 HydrophobicContact CE-CH2 4.38Å; M218-W221 HydrophobicContact CE-CZ3 4.04Å; M218-W221 HydrophobicContact CG-CD2 4.26Å; M218-W221 HydrophobicContact CG-CE3 3.66Å; M218-W221 HydrophobicContact CG-CH2 4.28Å; M218-W221 HydrophobicContact CG-CZ3 3.68Å; M218-W221 WeakPolarHBondContact O-CB 3.41Å; M218-W221 HydrophobicContact SD-CZ3 4.43Å
219	M	96.5	Very high	97.2	Very high	67 Å²	67	48.5 Å²	48.5	33%	0.33	24%	0.236	S	C	.	.	H	α-helix	trans	-70.5	-41.7	171.5	-69.7	170.5	66.3	0	0	111.3	R211 N215 K216 E217 W221 G222 Y223	R211-M219 WeakPolarHBondContact CD-SD 3.44Å; R211-M219 VanDerWaalsContact NH1-CE 3.25Å; R211-M219 PolarHBondContact NH1-SD 3.16Å; N215-M219 WeakPolarHBondContact O-CG 3.34Å; N215-M219 PolarHBondContact O-N 3.24Å; K216-M219 WeakPolarHBondContact O-CB 3.31Å; K216-M219 PolarHBondContact O-N 3.06Å; E217-M219 VanDerWaalsContact C-N 3.27Å; E217-M219 PolarHBondContact O-N 3.22Å; M219-W221 PolarHBondContact O-N 2.97Å; M219-G222 PolarHBondContact O-N 3.4Å; M219-Y223 WeakPolarHBondContact O-CD2 3.49Å
220	Y	98.3	Very high	97.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.7	-39.7	173.8	172.2	-102	0	0	0	111.8	L113 D115 G116 Y117 Y121 K216 E217 G222 Y223 K224 V244	L113-Y220 VanDerWaalsContact O-CD1 3.31Å; L113-Y220 WeakPolarHBondContact O-CD1 3.4Å; L113-Y220 WeakPolarHBondContact O-CE1 3.35Å; D115-Y220 WeakPolarHBondContact O-CE1 3.35Å; D115-Y220 PolarHBondContact O-OH 2.83Å; G116-Y220 VanDerWaalsContact C-OH 3.23Å; G116-Y220 WeakPolarHBondContact CA-OH 3.45Å; Y117-Y220 VanDerWaalsContact CD2-CB 3.42Å; Y117-Y220 AromaticContact CD2-CD1 3.7Å; Y117-Y220 HydrophobicContact CD2-CD1 3.7Å; Y117-Y220 AromaticContact CD2-CD2 3.98Å; Y117-Y220 HydrophobicContact CD2-CD2 3.98Å; Y117-Y220 HydrophobicContact CD2-CE1 4.44Å; Y117-Y220 AromaticContact CD2-CG 3.44Å; Y117-Y220 HydrophobicContact CD2-CG 3.44Å; Y117-Y220 VanDerWaalsContact CD2-CG 3.44Å; Y117-Y220 HydrophobicContact CE2-CG 4.22Å; Y117-Y220 HydrophobicContact CG-CD1 4.16Å; Y117-Y220 HydrophobicContact CG-CG 4.34Å; Y117-Y220 PolarHBondContact N-OH 3.34Å; Y121-Y220 AromaticContact CD1-CD2 3.42Å; Y121-Y220 HydrophobicContact CD1-CD2 3.42Å; Y121-Y220 VanDerWaalsContact CD1-CD2 3.42Å; Y121-Y220 HydrophobicContact CD1-CE2 4.14Å; Y121-Y220 HydrophobicContact CD1-CG 4.07Å; Y121-Y220 AromaticContact CD2-CD2 3.69Å; Y121-Y220 HydrophobicContact CD2-CD2 3.69Å; Y121-Y220 HydrophobicContact CD2-CE2 4.05Å; Y121-Y220 AromaticContact CE1-CD2 3.71Å; Y121-Y220 HydrophobicContact CE1-CD2 3.71Å; Y121-Y220 HydrophobicContact CE1-CG 4.13Å; Y121-Y220 AromaticContact CE2-CD2 3.99Å; Y121-Y220 HydrophobicContact CE2-CD2 3.99Å; Y121-Y220 AromaticContact CG-CD2 3.43Å; Y121-Y220 HydrophobicContact CG-CD2 3.43Å; Y121-Y220 VanDerWaalsContact CG-CD2 3.43Å; Y121-Y220 AromaticContact CG-CE2 3.76Å; Y121-Y220 HydrophobicContact CG-CE2 3.76Å; Y121-Y220 HydrophobicContact CG-CG 4.47Å; Y121-Y220 AromaticContact CZ-CD2 3.99Å; K216-Y220 PolarHBondContact O-N 2.86Å; E217-Y220 VanDerWaalsContact O-CB 3.3Å; E217-Y220 WeakPolarHBondContact O-CB 3.33Å; E217-Y220 PolarHBondContact O-N 3.16Å; E217-Y220 VanDerWaalsContact O-N 3.1Å; Y220-G222 PolarHBondContact O-N 2.79Å; Y220-G222 VanDerWaalsContact O-N 3.1Å; Y220-Y223 PolarHBondContact O-N 3.27Å; Y220-K224 HydrophobicContact CD1-CB 4.08Å; Y220-K224 HydrophobicContact CE1-CB 3.69Å; Y220-K224 HydrophobicContact CE1-CD 4.29Å; Y220-K224 HydrophobicContact CE1-CG 3.89Å; Y220-K224 WeakPolarHBondContact O-CB 3.43Å; Y220-K224 PolarHBondContact O-N 2.79Å; Y220-V244 HydrophobicContact CD2-CB 4.3Å; Y220-V244 HydrophobicContact CD2-CG1 4.1Å; Y220-V244 HydrophobicContact CE2-CB 3.6Å; Y220-V244 HydrophobicContact CE2-CG1 3.89Å; Y220-V244 HydrophobicContact CE2-CG2 3.59Å
221	W	98.3	Very high	97.4	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-55.3	-30.5	179.6	-66.7	-4.2	0	0	0	114.3	L113 R114 E217 M218 M219 F225 R328	L113-W221 HydrophobicContact CB-CB 3.84Å; L113-W221 HydrophobicContact CB-CD2 4.26Å; L113-W221 HydrophobicContact CB-CG 3.67Å; L113-W221 HydrophobicContact CD1-CB 3.88Å; L113-W221 HydrophobicContact CD1-CG 4.29Å; L113-W221 HydrophobicContact CG-CB 4.46Å; R114-W221 HydrophobicContact CG-CZ2 3.87Å; E217-W221 HydrophobicContact CG-CZ2 4.37Å; E217-W221 PolarHBondContact O-N 3.44Å; E217-W221 VanDerWaalsContact O-N 3.08Å; M218-W221 HydrophobicContact CB-CE3 4.18Å; M218-W221 HydrophobicContact CE-CH2 4.38Å; M218-W221 HydrophobicContact CE-CZ3 4.04Å; M218-W221 HydrophobicContact CG-CD2 4.26Å; M218-W221 HydrophobicContact CG-CE3 3.66Å; M218-W221 HydrophobicContact CG-CH2 4.28Å; M218-W221 HydrophobicContact CG-CZ3 3.68Å; M218-W221 WeakPolarHBondContact O-CB 3.41Å; M218-W221 HydrophobicContact SD-CZ3 4.43Å; M219-W221 PolarHBondContact O-N 2.97Å; W221-F225 VanDerWaalsContact O-CB 3.31Å; W221-F225 WeakPolarHBondContact O-CB 3.47Å; W221-F225 PolarHBondContact O-N 2.94Å; W221-R328 VanDerWaalsContact CE3-CD 3.49Å
222	G	98.3	Very high	97.3	Very high	21 Å²	21	42.1 Å²	42.1	22%	0.216	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-57.1	173.1	0	0	0	0	0	111.2	M219 Y220 K224 F225 E226	M219-G222 PolarHBondContact O-N 3.4Å; Y220-G222 PolarHBondContact O-N 2.79Å; Y220-G222 VanDerWaalsContact O-N 3.1Å; G222-K224 VanDerWaalsContact C-N 3.31Å; G222-K224 PolarHBondContact O-N 2.86Å; G222-F225 WeakPolarHBondContact O-CB 3.17Å; G222-F225 PolarHBondContact O-N 2.89Å; G222-F225 VanDerWaalsContact O-N 3.13Å; G222-E226 PolarHBondContact O-N 2.97Å
223	Y	98.6	Very high	97.1	Very high	65 Å²	65	42.1 Å²	42.1	26%	0.255	21%	0.206	S	C	.	.	H	α-helix	trans	-63.8	-35.3	179.5	-62.5	-72.1	0	0	0	113.2	M219 Y220 F225 E226 Q227 V244 T246	M219-Y223 WeakPolarHBondContact O-CD2 3.49Å; Y220-Y223 PolarHBondContact O-N 3.27Å; Y223-F225 VanDerWaalsContact C-N 3.35Å; Y223-E226 WeakPolarHBondContact O-CB 3.34Å; Y223-E226 PolarHBondContact O-N 2.92Å; Y223-Q227 PolarHBondContact O-N 3.04Å; Y223-V244 VanDerWaalsContact CB-CG1 3.48Å; Y223-V244 HydrophobicContact CG-CG1 4.42Å; Y223-T246 HydrophobicContact CD1-CG2 3.74Å; Y223-T246 HydrophobicContact CD2-CG2 3.37Å; Y223-T246 HydrophobicContact CE1-CG2 3.72Å; Y223-T246 HydrophobicContact CE2-CG2 3.36Å; Y223-T246 HydrophobicContact CG-CG2 3.55Å
224	K	98.8	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.6	-38.6	175	-175.6	56.1	173.3	-164.7	0	111.6	L113 D115 Y220 G222 E226 Q227 Y228 P240 V244	L113-K224 HydrophobicContact CD2-CG 4.41Å; D115-K224 WeakPolarHBondContact O-CE 3.2Å; D115-K224 PolarHBondContact O-NZ 3.41Å; D115-K224 WeakPolarHBondContact OD2-CE 3.28Å; D115-K224 IonicContact OD2-NZ 2.71Å; D115-K224 PolarHBondContact OD2-NZ 3.34Å; Y220-K224 HydrophobicContact CD1-CB 4.08Å; Y220-K224 HydrophobicContact CE1-CB 3.69Å; Y220-K224 HydrophobicContact CE1-CD 4.29Å; Y220-K224 HydrophobicContact CE1-CG 3.89Å; Y220-K224 WeakPolarHBondContact O-CB 3.43Å; Y220-K224 PolarHBondContact O-N 2.79Å; G222-K224 VanDerWaalsContact C-N 3.31Å; G222-K224 PolarHBondContact O-N 2.86Å; K224-E226 VanDerWaalsContact C-N 3.32Å; K224-Q227 HydrophobicContact CD-CB 4.46Å; K224-Q227 VanDerWaalsContact CD-OE1 3.26Å; K224-Q227 WeakPolarHBondContact O-CB 3.32Å; K224-Q227 PolarHBondContact O-N 3.08Å; K224-Y228 HydrophobicContact CD-CD2 4.35Å; K224-Y228 HydrophobicContact CD-CE2 3.95Å; K224-Y228 VanDerWaalsContact CE-CE2 3.42Å; K224-Y228 HydrophobicContact CG-CD2 4.13Å; K224-Y228 HydrophobicContact CG-CE2 3.76Å; K224-Y228 WeakPolarHBondContact O-CD2 3.41Å; K224-Y228 PolarHBondContact O-N 3.29Å; K224-Y228 VanDerWaalsContact O-N 3.13Å; K224-P240 PolarHBondContact NZ-O 3.19Å; K224-V244 HydrophobicContact CD-CG2 4.12Å
225	F	98.8	Very high	96.8	Very high	1 Å²	1	42.7 Å²	42.7	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-40	172.9	179.4	-114.6	0	0	0	111.6	F111 L113 W221 G222 Y223 Q227 Y228 M229 L288 K289 T290 G326 V334 V337	F111-F225 HydrophobicContact CD2-CD2 4.36Å; F111-F225 HydrophobicContact CD2-CE2 4.26Å; L113-F225 HydrophobicContact CD2-CB 3.74Å; L113-F225 HydrophobicContact CD2-CD2 4.35Å; W221-F225 VanDerWaalsContact O-CB 3.31Å; W221-F225 WeakPolarHBondContact O-CB 3.47Å; W221-F225 PolarHBondContact O-N 2.94Å; G222-F225 WeakPolarHBondContact O-CB 3.17Å; G222-F225 PolarHBondContact O-N 2.89Å; G222-F225 VanDerWaalsContact O-N 3.13Å; Y223-F225 VanDerWaalsContact C-N 3.35Å; F225-Q227 VanDerWaalsContact C-N 3.3Å; F225-Q227 PolarHBondContact O-N 3.31Å; F225-Y228 PolarHBondContact O-N 3.3Å; F225-Y228 VanDerWaalsContact O-N 3.15Å; F225-M229 HydrophobicContact CD1-CG 4.25Å; F225-M229 HydrophobicContact CD2-CG 3.91Å; F225-M229 HydrophobicContact CD2-SD 4.49Å; F225-M229 HydrophobicContact CE1-CG 3.91Å; F225-M229 HydrophobicContact CE2-CG 3.53Å; F225-M229 HydrophobicContact CE2-SD 3.64Å; F225-M229 HydrophobicContact CG-CG 4.26Å; F225-M229 HydrophobicContact CZ-CE 4.12Å; F225-M229 HydrophobicContact CZ-CG 3.54Å; F225-M229 HydrophobicContact CZ-SD 3.71Å; F225-M229 WeakPolarHBondContact O-CB 3.46Å; F225-M229 WeakPolarHBondContact O-CG 3.38Å; F225-M229 PolarHBondContact O-N 3.47Å; F225-M229 VanDerWaalsContact O-N 3.16Å; F225-L288 HydrophobicContact CD1-CB 4.23Å; F225-L288 HydrophobicContact CE1-CB 4.17Å; F225-L288 HydrophobicContact CE1-CD2 4.49Å; F225-K289 VanDerWaalsContact CE1-O 3.24Å; F225-K289 WeakPolarHBondContact CE1-O 3.3Å; F225-T290 HydrophobicContact CB-CG2 3.39Å; F225-T290 HydrophobicContact CD1-CG2 3.68Å; F225-T290 HydrophobicContact CD2-CG2 4.29Å; F225-T290 HydrophobicContact CG-CG2 3.52Å; F225-G326 VanDerWaalsContact CZ-N 3.35Å; F225-V334 HydrophobicContact CD2-CG2 3.99Å; F225-V334 HydrophobicContact CE2-CG1 4.29Å; F225-V334 HydrophobicContact CE2-CG2 4.32Å; F225-V337 HydrophobicContact CE2-CG2 4.48Å
226	E	98.7	Very high	96.8	Very high	18 Å²	18	40.3 Å²	40.3	8%	0.084	21%	0.211	C	C	.	.	H	α-helix	trans	-58.4	-43	172.3	-62.4	163.8	-142.5	0	0	111.6	R100 G222 Y223 K224 Y228 M229 C230 L288	R100-E226 IonicContact CZ-OE2 3.82Å; R100-E226 IonicContact NH1-OE2 2.86Å; R100-E226 IonicContact NH2-OE2 3.81Å; R100-E226 PolarHBondContact NH2-OE2 3.27Å; G222-E226 PolarHBondContact O-N 2.97Å; Y223-E226 WeakPolarHBondContact O-CB 3.34Å; Y223-E226 PolarHBondContact O-N 2.92Å; K224-E226 VanDerWaalsContact C-N 3.32Å; E226-Y228 VanDerWaalsContact C-N 3.27Å; E226-Y228 PolarHBondContact O-N 2.87Å; E226-M229 PolarHBondContact O-N 3.31Å; E226-M229 VanDerWaalsContact O-N 3.08Å; E226-C230 WeakPolarHBondContact O-CB 3.26Å; E226-C230 PolarHBondContact O-N 2.76Å; E226-C230 PolarHBondContact O-SG 2.92Å; E226-L288 HydrophobicContact CB-CD1 4.17Å; E226-L288 HydrophobicContact CG-CB 4.17Å; E226-L288 HydrophobicContact CG-CD1 4.03Å
227	Q	98.4	Very high	96.8	Very high	23 Å²	23	42.9 Å²	42.9	11%	0.107	22%	0.224	C	C	.	.	H	α-helix	trans	-60.3	-34.2	176.3	-166.9	-176	25.4	0	0	113	Y223 K224 F225 M229 P238 D239 P240 G242	Y223-Q227 PolarHBondContact O-N 3.04Å; K224-Q227 HydrophobicContact CD-CB 4.46Å; K224-Q227 VanDerWaalsContact CD-OE1 3.26Å; K224-Q227 WeakPolarHBondContact O-CB 3.32Å; K224-Q227 PolarHBondContact O-N 3.08Å; F225-Q227 VanDerWaalsContact C-N 3.3Å; F225-Q227 PolarHBondContact O-N 3.31Å; Q227-M229 VanDerWaalsContact C-N 3.34Å; Q227-P238 WeakPolarHBondContact O-CB 3.27Å; Q227-D239 WeakPolarHBondContact CG-O 3.45Å; Q227-D239 PolarHBondContact NE2-O 3.25Å; Q227-P240 PolarHBondContact OE1-O 3.04Å; Q227-G242 PolarHBondContact NE2-O 2.91Å
228	Y	98.6	Very high	96.9	Very high	33 Å²	33	43.1 Å²	43.1	13%	0.129	23%	0.227	C	C	.	.	H	α-helix	trans	-74.1	-23.5	175.7	-80	-68.3	0	0	0	114	F111 D112 L113 K224 F225 E226 P238 P240	F111-Y228 HydrophobicContact CB-CD1 4.08Å; F111-Y228 HydrophobicContact CB-CD2 3.7Å; F111-Y228 HydrophobicContact CB-CE1 4.24Å; F111-Y228 HydrophobicContact CB-CE2 3.87Å; F111-Y228 HydrophobicContact CB-CG 3.82Å; F111-Y228 AromaticContact CD1-CD1 3.39Å; F111-Y228 HydrophobicContact CD1-CD1 3.39Å; F111-Y228 HydrophobicContact CD1-CD2 4.5Å; F111-Y228 AromaticContact CD1-CE1 3.88Å; F111-Y228 HydrophobicContact CD1-CE1 3.88Å; F111-Y228 AromaticContact CD1-CG 3.76Å; F111-Y228 HydrophobicContact CD1-CG 3.76Å; F111-Y228 HydrophobicContact CD2-CD1 4.5Å; F111-Y228 HydrophobicContact CD2-CG 4.05Å; F111-Y228 AromaticContact CE1-CD1 3.81Å; F111-Y228 HydrophobicContact CE1-CD1 3.81Å; F111-Y228 HydrophobicContact CE1-CG 4.25Å; F111-Y228 AromaticContact CG-CD1 3.77Å; F111-Y228 HydrophobicContact CG-CD1 3.77Å; F111-Y228 HydrophobicContact CG-CD2 4.05Å; F111-Y228 HydrophobicContact CG-CE1 4.32Å; F111-Y228 AromaticContact CG-CG 3.63Å; F111-Y228 HydrophobicContact CG-CG 3.63Å; D112-Y228 WeakPolarHBondContact O-CE2 3.3Å; D112-Y228 PolarHBondContact O-OH 2.74Å; D112-Y228 VanDerWaalsContact O-OH 3.07Å; L113-Y228 HydrophobicContact CD2-CD2 4.16Å; L113-Y228 HydrophobicContact CD2-CE2 4.37Å; K224-Y228 HydrophobicContact CD-CD2 4.35Å; K224-Y228 HydrophobicContact CD-CE2 3.95Å; K224-Y228 VanDerWaalsContact CE-CE2 3.42Å; K224-Y228 HydrophobicContact CG-CD2 4.13Å; K224-Y228 HydrophobicContact CG-CE2 3.76Å; K224-Y228 WeakPolarHBondContact O-CD2 3.41Å; K224-Y228 PolarHBondContact O-N 3.29Å; K224-Y228 VanDerWaalsContact O-N 3.13Å; F225-Y228 PolarHBondContact O-N 3.3Å; F225-Y228 VanDerWaalsContact O-N 3.15Å; E226-Y228 VanDerWaalsContact C-N 3.27Å; E226-Y228 PolarHBondContact O-N 2.87Å; Y228-P238 WeakPolarHBondContact O-CB 3.29Å; Y228-P240 HydrophobicContact CD1-CB 3.72Å; Y228-P240 HydrophobicContact CD1-CG 4.29Å; Y228-P240 HydrophobicContact CE1-CB 3.32Å; Y228-P240 HydrophobicContact CE1-CG 3.9Å
229	M	98.4	Very high	96.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-106.5	-4	-170.2	-63.6	-69.4	-60.5	0	0	113	Y102 V103 P105 F111 F225 E226 Q227 L288 V324 V337	Y102-M229 HydrophobicContact CD2-CE 4.37Å; Y102-M229 HydrophobicContact CE2-CE 3.46Å; Y102-M229 VanDerWaalsContact CE2-CE 3.46Å; V103-M229 PolarHBondContact N-O 3.36Å; P105-M229 HydrophobicContact CB-SD 4.11Å; P105-M229 HydrophobicContact CG-CE 3.65Å; P105-M229 HydrophobicContact CG-SD 3.59Å; P105-M229 VanDerWaalsContact CG-SD 3.59Å; F111-M229 HydrophobicContact CE2-SD 3.7Å; F111-M229 HydrophobicContact CZ-SD 4.48Å; F225-M229 HydrophobicContact CD1-CG 4.25Å; F225-M229 HydrophobicContact CD2-CG 3.91Å; F225-M229 HydrophobicContact CD2-SD 4.49Å; F225-M229 HydrophobicContact CE1-CG 3.91Å; F225-M229 HydrophobicContact CE2-CG 3.53Å; F225-M229 HydrophobicContact CE2-SD 3.64Å; F225-M229 HydrophobicContact CG-CG 4.26Å; F225-M229 HydrophobicContact CZ-CE 4.12Å; F225-M229 HydrophobicContact CZ-CG 3.54Å; F225-M229 HydrophobicContact CZ-SD 3.71Å; F225-M229 WeakPolarHBondContact O-CB 3.46Å; F225-M229 WeakPolarHBondContact O-CG 3.38Å; F225-M229 PolarHBondContact O-N 3.47Å; F225-M229 VanDerWaalsContact O-N 3.16Å; E226-M229 PolarHBondContact O-N 3.31Å; E226-M229 VanDerWaalsContact O-N 3.08Å; Q227-M229 VanDerWaalsContact C-N 3.34Å; M229-L288 HydrophobicContact CB-CD1 3.67Å; M229-L288 HydrophobicContact CB-CD2 4.34Å; M229-L288 HydrophobicContact CE-CD2 4.49Å; M229-L288 HydrophobicContact CG-CD1 4.42Å; M229-V324 HydrophobicContact CE-CG1 3.78Å; M229-V337 HydrophobicContact CE-CG1 4.42Å
230	C	98.3	Very high	96.9	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.041	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	137.6	-169.7	-67.3	0	0	0	0	111.5	R100 Y101 E226 P238 C271 L288	R100-C230 HydrophobicContact CB-CB 3.88Å; Y101-C230 CarbonylContact O-C 3.52Å; Y101-C230 VanDerWaalsContact O-CA 3.29Å; Y101-C230 WeakPolarHBondContact O-CA 3.23Å; E226-C230 WeakPolarHBondContact O-CB 3.26Å; E226-C230 PolarHBondContact O-N 2.76Å; E226-C230 PolarHBondContact O-SG 2.92Å; C230-P238 WeakPolarHBondContact O-CA 3.35Å; C230-P238 WeakPolarHBondContact O-CB 3.23Å; C230-C271 VanDerWaalsContact SG-CB 3.52Å; C230-L288 VanDerWaalsContact SG-CD1 3.52Å
231	A	97.8	Very high	96.8	Very high	2 Å²	2	46.3 Å²	46.3	2%	0.017	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	156.8	170	0	0	0	0	0	110.8	R100 Y101 V103 S236	R100-A231 WeakPolarHBondContact CA-O 3.3Å; Y101-A231 PolarHBondContact N-O 3.03Å; Y101-A231 PolarHBondContact O-N 3.29Å; V103-A231 HydrophobicContact CG2-CB 3.77Å; A231-S236 VanDerWaalsContact CB-O 3.26Å; A231-S236 WeakPolarHBondContact CB-O 3.2Å; A231-S236 WeakPolarHBondContact CB-OG 3.39Å
232	D	95.5	Very high	96.7	Very high	130 Å²	130	47.2 Å²	47.2	70%	0.695	27%	0.265	S	S	*	.	S	Bend	trans	-74.6	-31.8	-176.5	-70.3	-22.1	0	0	0	112.2	S236	D232-S236 PolarHBondContact N-OG 2.68Å
233	D	93.8	Very high	96.7	Very high	75 Å²	75	50.1 Å²	50.1	40%	0.401	28%	0.279	S	S	.	.	S	Bend	trans	-139	168.9	175.4	73.3	69.9	0	0	0	112.4	N235 S236	D233-N235 PolarHBondContact O-N 3.08Å; D233-N235 VanDerWaalsContact O-N 3.16Å; D233-N235 WeakPolarHBondContact OD1-CA 3.36Å; D233-N235 WeakPolarHBondContact OD1-CB 3.44Å; D233-N235 PolarHBondContact OD1-N 3.43Å; D233-S236 PolarHBondContact N-OG 2.87Å; D233-S236 PolarHBondContact O-N 2.71Å; D233-S236 PolarHBondContact O-OG 2.87Å; D233-S236 PolarHBondContact OD1-N 2.77Å
234	T	92	Very high	96.7	Very high	60 Å²	60	47.5 Å²	47.5	37%	0.368	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.5	-174.1	55	0	0	0	0	115	Y101	Y101-T234 HydrophobicContact CD1-CG2 3.68Å; Y101-T234 HydrophobicContact CD2-CG2 4.46Å; Y101-T234 HydrophobicContact CE1-CG2 3.53Å; Y101-T234 HydrophobicContact CE2-CG2 4.38Å; Y101-T234 HydrophobicContact CG-CG2 4.13Å
235	N	91.5	Very high	96.7	Very high	148 Å²	148	48.6 Å²	48.6	79%	0.791	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-8.9	-177.9	-53.3	-53	0	0	0	112.8	D233	D233-N235 PolarHBondContact O-N 3.08Å; D233-N235 VanDerWaalsContact O-N 3.16Å; D233-N235 WeakPolarHBondContact OD1-CA 3.36Å; D233-N235 WeakPolarHBondContact OD1-CB 3.44Å; D233-N235 PolarHBondContact OD1-N 3.43Å
236	S	94.5	Very high	96.6	Very high	30 Å²	30	49.2 Å²	49.2	21%	0.21	28%	0.279	C	S	.	.			trans	-87.9	161.1	177.4	65.1	0	0	0	0	112.2	A231 D232 D233	A231-S236 VanDerWaalsContact CB-O 3.26Å; A231-S236 WeakPolarHBondContact CB-O 3.2Å; A231-S236 WeakPolarHBondContact CB-OG 3.39Å; D232-S236 PolarHBondContact N-OG 2.68Å; D233-S236 PolarHBondContact N-OG 2.87Å; D233-S236 PolarHBondContact O-N 2.71Å; D233-S236 PolarHBondContact O-OG 2.87Å; D233-S236 PolarHBondContact OD1-N 2.77Å
237	E	96.3	Very high	96.6	Very high	124 Å²	124	49.5 Å²	49.5	58%	0.579	28%	0.281	S	S	*	.			trans	-105.8	159.3	171.3	-68.7	-62.4	150.2	0	0	109.8	D239 R274	E237-D239 PolarHBondContact O-N 2.74Å; E237-R274 IonicContact OE1-NH1 3.34Å
238	P	97.4	Very high	96.6	Very high	27 Å²	27	52 Å²	52	18%	0.175	29%	0.293	C	S	.	.			trans	-59	132.3	177.5	-23.4	35.4	0	0	0	112	V103 Q227 Y228 C230 P240	V103-P238 HydrophobicContact CB-CG 3.8Å; V103-P238 HydrophobicContact CG1-CG 4.13Å; V103-P238 HydrophobicContact CG2-CG 3.95Å; Q227-P238 WeakPolarHBondContact O-CB 3.27Å; Y228-P238 WeakPolarHBondContact O-CB 3.29Å; C230-P238 WeakPolarHBondContact O-CA 3.35Å; C230-P238 WeakPolarHBondContact O-CB 3.23Å; P238-P240 WeakPolarHBondContact O-CD 3.41Å
239	D	97	Very high	96.6	Very high	87 Å²	87	50.7 Å²	50.7	47%	0.465	29%	0.289	S	S	.	.			trans	-104.9	95.1	173.8	178.3	14.8	0	0	0	111.1	Q227 E237 S241	Q227-D239 WeakPolarHBondContact CG-O 3.45Å; Q227-D239 PolarHBondContact NE2-O 3.25Å; E237-D239 PolarHBondContact O-N 2.74Å; D239-S241 PolarHBondContact O-N 3.41Å; D239-S241 WeakPolarHBondContact OD1-CA 3.47Å; D239-S241 VanDerWaalsContact OD1-CB 3.3Å; D239-S241 WeakPolarHBondContact OD1-CB 3.38Å; D239-S241 PolarHBondContact OD1-N 3.28Å; D239-S241 PolarHBondContact OD1-OG 3.38Å; D239-S241 PolarHBondContact OD2-OG 2.71Å
240	P	95.9	Very high	96.6	Very high	42 Å²	42	51 Å²	51	27%	0.273	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-10.7	177.2	31	-35.8	0	0	0	113.5	R120 K224 Q227 Y228 P238	R120-P240 PolarHBondContact NH1-O 3.04Å; K224-P240 PolarHBondContact NZ-O 3.19Å; Q227-P240 PolarHBondContact OE1-O 3.04Å; Y228-P240 HydrophobicContact CD1-CB 3.72Å; Y228-P240 HydrophobicContact CD1-CG 4.29Å; Y228-P240 HydrophobicContact CE1-CB 3.32Å; Y228-P240 HydrophobicContact CE1-CG 3.9Å; P238-P240 WeakPolarHBondContact O-CD 3.41Å
241	S	96.8	Very high	96.7	Very high	78 Å²	78	51 Å²	51	55%	0.545	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-16	-179.6	79.3	0	0	0	0	113.4	R120 D239	R120-S241 WeakPolarHBondContact CD-O 3.11Å; R120-S241 VanDerWaalsContact CZ-O 3.26Å; R120-S241 PolarHBondContact NE-O 3.07Å; R120-S241 PolarHBondContact NH1-O 3.13Å; D239-S241 PolarHBondContact O-N 3.41Å; D239-S241 WeakPolarHBondContact OD1-CA 3.47Å; D239-S241 VanDerWaalsContact OD1-CB 3.3Å; D239-S241 WeakPolarHBondContact OD1-CB 3.38Å; D239-S241 PolarHBondContact OD1-N 3.28Å; D239-S241 PolarHBondContact OD1-OG 3.38Å; D239-S241 PolarHBondContact OD2-OG 2.71Å
242	G	95.4	Very high	96.7	Very high	21 Å²	21	50.9 Å²	50.9	22%	0.216	29%	0.29	C	S	.	.	S	Bend	trans	-67.8	174.1	177.6	0	0	0	0	0	115.1	R120 Q227	R120-G242 PolarHBondContact NH1-O 3.1Å; Q227-G242 PolarHBondContact NE2-O 2.91Å
243	V	97.8	Very high	96.9	Very high	82 Å²	82	44.7 Å²	44.7	50%	0.497	26%	0.257	S	S	.	.			trans	-81.6	134.8	179.3	175.3	0	0	0	0	110.8	R120 V122	R120-V243 HydrophobicContact CB-CG2 4.39Å; R120-V243 HydrophobicContact CG-CG2 4.45Å; V122-V243 HydrophobicContact CB-CG1 4.46Å; V122-V243 HydrophobicContact CG2-CG1 3.79Å
244	V	98.4	Very high	97.1	Very high	10 Å²	10	41.2 Å²	41.2	6%	0.061	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	114.6	168.4	177.1	0	0	0	0	108.5	R120 Y121 V122 Y220 Y223 K224	R120-V244 PolarHBondContact O-N 2.81Å; Y121-V244 HydrophobicContact CD2-CB 4.38Å; Y121-V244 HydrophobicContact CD2-CG1 4.18Å; Y121-V244 WeakPolarHBondContact CD2-O 3.21Å; Y121-V244 HydrophobicContact CE2-CG1 4.34Å; V122-V244 PolarHBondContact N-O 3.19Å; Y220-V244 HydrophobicContact CD2-CB 4.3Å; Y220-V244 HydrophobicContact CD2-CG1 4.1Å; Y220-V244 HydrophobicContact CE2-CB 3.6Å; Y220-V244 HydrophobicContact CE2-CG1 3.89Å; Y220-V244 HydrophobicContact CE2-CG2 3.59Å; Y223-V244 VanDerWaalsContact CB-CG1 3.48Å; Y223-V244 HydrophobicContact CG-CG1 4.42Å; K224-V244 HydrophobicContact CD-CG2 4.12Å
245	N	98.4	Very high	97.3	Very high	24 Å²	24	41.9 Å²	41.9	13%	0.128	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	109.2	-179.2	-173.6	-10.2	0	0	0	112	S88 V122 N247 E248	S88-N245 WeakPolarHBondContact CA-ND2 3.26Å; S88-N245 WeakPolarHBondContact CB-ND2 3.43Å; S88-N245 PolarHBondContact O-ND2 3.32Å; V122-N245 HydrophobicContact CB-CB 4.11Å; V122-N245 WeakPolarHBondContact CG1-OD1 3.47Å; V122-N245 WeakPolarHBondContact O-CA 3.47Å; N245-N247 PolarHBondContact O-N 3.4Å; N245-N247 VanDerWaalsContact OD1-CB 3.3Å; N245-N247 WeakPolarHBondContact OD1-CB 3.13Å; N245-N247 PolarHBondContact OD1-N 3.17Å; N245-N247 PolarHBondContact OD1-ND2 2.56Å; N245-E248 HydrophobicContact CB-CG 4.23Å; N245-E248 WeakPolarHBondContact O-CB 3.39Å; N245-E248 PolarHBondContact O-N 2.82Å
246	T	98.1	Very high	97.7	Very high	13 Å²	13	35.4 Å²	35.4	8%	0.08	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	6.9	-175.6	59.6	0	0	0	0	114.3	Y121 V122 K123 R124 Y223 E248	Y121-T246 HydrophobicContact CE2-CG2 3.73Å; V122-T246 PolarHBondContact O-N 3Å; V122-T246 PolarHBondContact O-OG1 3.01Å; K123-T246 WeakPolarHBondContact CA-OG1 3.49Å; R124-T246 WeakPolarHBondContact CB-O 3.37Å; R124-T246 PolarHBondContact N-OG1 3.19Å; Y223-T246 HydrophobicContact CD1-CG2 3.74Å; Y223-T246 HydrophobicContact CD2-CG2 3.37Å; Y223-T246 HydrophobicContact CE1-CG2 3.72Å; Y223-T246 HydrophobicContact CE2-CG2 3.36Å; Y223-T246 HydrophobicContact CG-CG2 3.55Å; T246-E248 VanDerWaalsContact C-N 3.33Å
247	N	98.6	Very high	97.9	Very high	24 Å²	24	37.7 Å²	37.7	13%	0.128	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-29.5	164.2	-65.4	-71.9	0	0	0	111.6	R90 R124 N245	R90-N247 HydrophobicContact CB-CB 4.14Å; R90-N247 WeakPolarHBondContact CD-O 3.45Å; R90-N247 PolarHBondContact NH1-O 3.38Å; R124-N247 WeakPolarHBondContact CA-OD1 3.44Å; N245-N247 PolarHBondContact O-N 3.4Å; N245-N247 VanDerWaalsContact OD1-CB 3.3Å; N245-N247 WeakPolarHBondContact OD1-CB 3.13Å; N245-N247 PolarHBondContact OD1-N 3.17Å; N245-N247 PolarHBondContact OD1-ND2 2.56Å
248	E	98.6	Very high	98	Very high	76 Å²	76	31.9 Å²	31.9	36%	0.355	18%	0.18	S	C	.	.			trans	-72.2	133.3	-177.4	-62	-172.1	129.3	0	0	110.4	L86 S88 Q98 N245 T246	L86-E248 VanDerWaalsContact O-CA 3.24Å; L86-E248 WeakPolarHBondContact O-CA 3.34Å; S88-E248 WeakPolarHBondContact CB-OE1 3.16Å; Q98-E248 VanDerWaalsContact NE2-CB 3.32Å; Q98-E248 VanDerWaalsContact NE2-CG 3.26Å; Q98-E248 PolarHBondContact NE2-OE1 3.48Å; Q98-E248 VanDerWaalsContact NE2-OE1 3.13Å; N245-E248 HydrophobicContact CB-CG 4.23Å; N245-E248 WeakPolarHBondContact O-CB 3.39Å; N245-E248 PolarHBondContact O-N 2.82Å; T246-E248 VanDerWaalsContact C-N 3.33Å
249	A	98.6	Very high	98	Very high	6 Å²	6	32.1 Å²	32.1	5%	0.05	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	144.4	175.5	0	0	0	0	0	111	S85 L86 E268	S85-A249 CarbonylContact C-O 3.56Å; S85-A249 WeakPolarHBondContact CA-O 3.38Å; L86-A249 HydrophobicContact CB-CB 4.29Å; L86-A249 HydrophobicContact CD1-CB 4.36Å; L86-A249 PolarHBondContact N-O 2.82Å; L86-A249 PolarHBondContact O-N 3.49Å; A249-E268 HydrophobicContact CB-CG 4.29Å
250	F	98.8	Very high	97.9	Very high	7 Å²	7	34 Å²	34	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.4	160.3	171.1	-85	0	0	0	109	C83 Q98 M99 E268 V269 Y285	C83-F250 HydrophobicContact CB-CE1 4.38Å; C83-F250 HydrophobicContact CB-CE2 3.51Å; C83-F250 HydrophobicContact CB-CZ 3.37Å; Q98-F250 HydrophobicContact CB-CB 4.23Å; M99-F250 HydrophobicContact CB-CD2 3.98Å; M99-F250 HydrophobicContact CB-CE2 4.34Å; M99-F250 HydrophobicContact CB-CG 4.34Å; M99-F250 HydrophobicContact CE-CD1 3.22Å; M99-F250 HydrophobicContact CE-CD2 3.81Å; M99-F250 HydrophobicContact CE-CE1 3.02Å; M99-F250 HydrophobicContact CE-CE2 3.61Å; M99-F250 HydrophobicContact CE-CG 3.62Å; M99-F250 HydrophobicContact CE-CZ 3.22Å; M99-F250 HydrophobicContact SD-CD1 4.42Å; F250-E268 WeakPolarHBondContact O-CA 3.49Å; F250-V269 HydrophobicContact CD1-CB 3.96Å; F250-V269 HydrophobicContact CE1-CB 4.2Å; F250-V269 PolarHBondContact O-N 3.22Å; F250-Y285 HydrophobicContact CE1-CE1 4.4Å; F250-Y285 WeakPolarHBondContact CZ-OH 3.31Å
251	C	98.9	Very high	98	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.034	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.1	-179.3	-68.6	0	0	0	0	110.8	C83 F84 G267	C83-C251 CarbonylContact C-O 3.58Å; C83-C251 WeakPolarHBondContact CA-O 3.41Å; C83-C251 VanDerWaalsContact CB-O 3.26Å; C83-C251 WeakPolarHBondContact CB-O 3.25Å; F84-C251 HydrophobicContact CD1-CB 4.19Å; F84-C251 HydrophobicContact CD2-CB 4Å; F84-C251 HydrophobicContact CE1-CB 3.69Å; F84-C251 HydrophobicContact CE2-CB 3.47Å; F84-C251 VanDerWaalsContact CE2-CB 3.47Å; F84-C251 HydrophobicContact CG-CB 4.31Å; F84-C251 HydrophobicContact CZ-CB 3.27Å; F84-C251 PolarHBondContact N-O 2.68Å; F84-C251 PolarHBondContact O-N 2.74Å; C251-G267 WeakPolarHBondContact CA-O 3.5Å
252	T	98.8	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	148.9	165.8	-177.4	0	0	0	0	109.8	E80 V254 S266 G267 V269 Y285	E80-T252 VanDerWaalsContact OE2-CB 3.31Å; E80-T252 WeakPolarHBondContact OE2-CB 3.2Å; E80-T252 PolarHBondContact OE2-OG1 3.36Å; T252-V254 HydrophobicContact CG2-CG2 3.84Å; T252-V254 WeakPolarHBondContact OG1-CG2 3.47Å; T252-S266 WeakPolarHBondContact O-CA 3.49Å; T252-S266 WeakPolarHBondContact O-CB 3.31Å; T252-S266 PolarHBondContact O-OG 3.23Å; T252-G267 WeakPolarHBondContact CG2-O 3.49Å; T252-G267 PolarHBondContact N-O 3.06Å; T252-G267 PolarHBondContact O-N 3.08Å; T252-V269 HydrophobicContact CG2-CG2 3.59Å; T252-Y285 HydrophobicContact CG2-CE2 4.4Å
253	V	98.8	Very high	98.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.6	168.8	-170.8	0	0	0	0	108.3	E80 V81 G82 F84 W138 L264	E80-V253 WeakPolarHBondContact CA-O 3.23Å; V81-V253 HydrophobicContact CG2-CB 4.29Å; V81-V253 HydrophobicContact CG2-CG1 3.98Å; V81-V253 VanDerWaalsContact CG2-O 3.27Å; V81-V253 WeakPolarHBondContact CG2-O 3.33Å; V81-V253 PolarHBondContact N-O 3.37Å; G82-V253 PolarHBondContact N-O 3.08Å; G82-V253 WeakPolarHBondContact O-CA 3.49Å; G82-V253 PolarHBondContact O-N 3.16Å; F84-V253 HydrophobicContact CD1-CG2 3.86Å; F84-V253 HydrophobicContact CE1-CG2 3.79Å; W138-V253 HydrophobicContact CD2-CB 4.18Å; W138-V253 HydrophobicContact CD2-CG1 4.21Å; W138-V253 HydrophobicContact CD2-CG2 3.66Å; W138-V253 HydrophobicContact CE3-CB 4.27Å; W138-V253 HydrophobicContact CE3-CG1 3.79Å; W138-V253 HydrophobicContact CE3-CG2 4.09Å; W138-V253 HydrophobicContact CG-CG2 3.94Å; W138-V253 HydrophobicContact CH2-CB 4.06Å; W138-V253 HydrophobicContact CH2-CG1 3.8Å; W138-V253 HydrophobicContact CZ2-CB 3.97Å; W138-V253 HydrophobicContact CZ2-CG1 4.22Å; W138-V253 HydrophobicContact CZ2-CG2 4.22Å; W138-V253 HydrophobicContact CZ3-CB 4.2Å; W138-V253 HydrophobicContact CZ3-CG1 3.56Å; V253-L264 HydrophobicContact CG1-CD1 3.76Å; V253-L264 HydrophobicContact CG1-CG 4.28Å
254	V	98.1	Very high	98.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.4	-168.7	174.7	0	0	0	0	109.6	P78 V79 T252 F265 P318	P78-V254 HydrophobicContact CB-CG1 3.38Å; V79-V254 WeakPolarHBondContact O-CA 3.44Å; T252-V254 HydrophobicContact CG2-CG2 3.84Å; T252-V254 WeakPolarHBondContact OG1-CG2 3.47Å; V254-F265 HydrophobicContact CB-CE2 4.11Å; V254-F265 HydrophobicContact CB-CZ 4.22Å; V254-F265 HydrophobicContact CG1-CE2 4.35Å; V254-F265 HydrophobicContact CG1-CZ 3.99Å; V254-F265 PolarHBondContact N-O 3.33Å; V254-F265 PolarHBondContact O-N 3.46Å; V254-P318 HydrophobicContact CG2-CB 4.33Å
255	Q	97.6	Very high	98.3	Very high	74 Å²	74	26.9 Å²	26.9	35%	0.346	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	144.9	165.2	74.3	179.1	-2.6	0	0	111.1	V79 V81 F160 L263 L264	V79-Q255 HydrophobicContact CB-CG 4.14Å; V79-Q255 PolarHBondContact N-O 3.05Å; V79-Q255 PolarHBondContact O-N 3.1Å; V81-Q255 HydrophobicContact CG1-CB 4.04Å; V81-Q255 VanDerWaalsContact CG1-CD 3.41Å; V81-Q255 HydrophobicContact CG1-CG 3.56Å; F160-Q255 HydrophobicContact CE1-CB 3.67Å; F160-Q255 HydrophobicContact CZ-CB 4.14Å; F160-Q255 VanDerWaalsContact CZ-OE1 3.28Å; Q255-L263 VanDerWaalsContact CA-O 3.29Å; Q255-L263 WeakPolarHBondContact CA-O 3.24Å; Q255-L264 HydrophobicContact CB-CD1 4.42Å
256	T	98.2	Very high	98.3	Very high	13 Å²	13	25.8 Å²	25.8	8%	0.08	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	-178.5	171.5	-171.8	0	0	0	0	110.3	Y75 K76 L263 F265	Y75-T256 HydrophobicContact CE2-CG2 3.6Å; Y75-T256 WeakPolarHBondContact OH-CG2 3.36Å; K76-T256 PolarHBondContact O-OG1 3.12Å; T256-L263 HydrophobicContact CG2-CB 4.09Å; T256-L263 HydrophobicContact CG2-CD1 4.11Å; T256-L263 HydrophobicContact CG2-CG 4.44Å; T256-L263 PolarHBondContact N-O 3.44Å; T256-L263 PolarHBondContact O-N 2.95Å; T256-F265 HydrophobicContact CG2-CE1 3.67Å; T256-F265 HydrophobicContact CG2-CZ 4.37Å
257	R	98.4	Very high	98.3	Very high	78 Å²	78	25.3 Å²	25.3	29%	0.294	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	122.9	172.8	-165	176.1	69	174.4	7.5	110.3	Y75 K76 T259 H261	Y75-R257 WeakPolarHBondContact CA-O 3.19Å; K76-R257 HydrophobicContact CB-CB 4.21Å; K76-R257 HydrophobicContact CD-CB 3.9Å; K76-R257 VanDerWaalsContact CE-CZ 3.46Å; K76-R257 VanDerWaalsContact CE-NH2 3.25Å; K76-R257 HydrophobicContact CG-CB 4.02Å; K76-R257 PolarHBondContact N-O 3.36Å; R257-T259 VanDerWaalsContact CD-O 3.23Å; R257-T259 WeakPolarHBondContact CD-O 3.18Å; R257-T259 VanDerWaalsContact CG-O 3.24Å; R257-T259 WeakPolarHBondContact CG-O 3.39Å; R257-T259 PolarHBondContact NE-O 3.11Å; R257-T259 VanDerWaalsContact NE-O 3.08Å; R257-H261 VanDerWaalsContact CA-O 3.31Å; R257-H261 WeakPolarHBondContact CA-O 3.38Å; R257-H261 WeakPolarHBondContact CG-O 3.35Å
258	L	98.6	Very high	98.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	109.8	165.2	178.3	55.7	0	0	0	107.2	P73 Y75 D260 H261 L263 M362 C365 C366 L369	P73-L258 HydrophobicContact CB-CD1 4.08Å; P73-L258 HydrophobicContact CG-CD1 3.87Å; Y75-L258 HydrophobicContact CD2-CB 4Å; Y75-L258 HydrophobicContact CD2-CD1 4.05Å; Y75-L258 HydrophobicContact CE2-CB 4.36Å; L258-D260 PolarHBondContact O-N 3.43Å; L258-H261 PolarHBondContact N-O 2.88Å; L258-H261 WeakPolarHBondContact O-CA 3.38Å; L258-H261 VanDerWaalsContact O-CB 3.31Å; L258-H261 WeakPolarHBondContact O-CB 3.04Å; L258-H261 PolarHBondContact O-CD2 3.18Å; L258-H261 PolarHBondContact O-N 2.91Å; L258-L263 HydrophobicContact CB-CD1 4.24Å; L258-M362 HydrophobicContact CD1-CE 3.77Å; L258-M362 HydrophobicContact CD2-CE 4.26Å; L258-C365 HydrophobicContact CD2-CB 4.23Å; L258-C366 HydrophobicContact CD1-CB 4.49Å; L258-C366 HydrophobicContact CD2-CB 3.95Å; L258-C366 HydrophobicContact CG-CB 4.1Å; L258-L369 HydrophobicContact CD2-CD1 4.19Å
259	T	97.5	Very high	98.3	Very high	32 Å²	32	23.7 Å²	23.7	20%	0.196	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	-102.9	-172.1	62.9	0	0	0	0	112.3	P73 L74 R257 C366	P73-T259 HydrophobicContact CB-CG2 3.74Å; L74-T259 PolarHBondContact O-N 3.47Å; R257-T259 VanDerWaalsContact CD-O 3.23Å; R257-T259 WeakPolarHBondContact CD-O 3.18Å; R257-T259 VanDerWaalsContact CG-O 3.24Å; R257-T259 WeakPolarHBondContact CG-O 3.39Å; R257-T259 PolarHBondContact NE-O 3.11Å; R257-T259 VanDerWaalsContact NE-O 3.08Å; T259-C366 PolarHBondContact OG1-SG 3.16Å
260	D	95.2	Very high	98.3	Very high	127 Å²	127	23.9 Å²	23.9	68%	0.679	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.3	13.7	-178.7	-59.4	-34.3	0	0	0	112.3	L258 K373	L258-D260 PolarHBondContact O-N 3.43Å; D260-K373 PolarHBondContact O-NZ 3.04Å; D260-K373 VanDerWaalsContact O-NZ 3.14Å
261	H	98.3	Very high	98.3	Very high	6 Å²	6	23.6 Å²	23.6	3%	0.028	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	105.9	177.7	-51.6	-60.8	0	0	0	109.9	D161 F162 R257 L258 L263 C366 L369 S370	D161-H261 WeakPolarHBondContact OD2-CA 3.41Å; F162-H261 HydrophobicContact CD2-CB 4.14Å; F162-H261 HydrophobicContact CE2-CB 3.97Å; F162-H261 AromaticContact CE2-ND1 3.71Å; R257-H261 VanDerWaalsContact CA-O 3.31Å; R257-H261 WeakPolarHBondContact CA-O 3.38Å; R257-H261 WeakPolarHBondContact CG-O 3.35Å; L258-H261 PolarHBondContact N-O 2.88Å; L258-H261 WeakPolarHBondContact O-CA 3.38Å; L258-H261 VanDerWaalsContact O-CB 3.31Å; L258-H261 WeakPolarHBondContact O-CB 3.04Å; L258-H261 PolarHBondContact O-CD2 3.18Å; L258-H261 PolarHBondContact O-N 2.91Å; H261-L263 HydrophobicContact CB-CD2 4.09Å; H261-L263 PolarHBondContact O-N 3.42Å; H261-C366 PolarHBondContact NE2-O 3.21Å; H261-L369 HydrophobicContact CB-CD1 4.1Å; H261-S370 PolarHBondContact CE1-OG 3.43Å; H261-S370 VanDerWaalsContact CE1-OG 3.23Å; H261-S370 PolarHBondContact NE2-OG 3.46Å
262	K	98	Very high	98.3	Very high	73 Å²	73	26.8 Å²	26.8	32%	0.317	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	118.3	170.9	-62.8	-173.7	-174	-175.9	0	109.2	D159 F160 D161 F162	D159-K262 WeakPolarHBondContact O-CD 3.19Å; D159-K262 IonicContact OD1-NZ 3.17Å; D159-K262 PolarHBondContact OD1-NZ 2.95Å; D159-K262 IonicContact OD2-NZ 3.24Å; D159-K262 PolarHBondContact OD2-NZ 3.09Å; F160-K262 HydrophobicContact CD1-CB 4.38Å; D161-K262 WeakPolarHBondContact CB-O 3.39Å; D161-K262 PolarHBondContact N-O 2.93Å; D161-K262 PolarHBondContact OD2-N 3.02Å; F162-K262 PolarHBondContact N-O 3Å; F162-K262 VanDerWaalsContact N-O 3.09Å
263	L	98.6	Very high	98.2	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.026	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.3	-175.6	-49.5	179.8	0	0	0	109.8	F162 L169 Q255 T256 L258 H261 F265 L369	F162-L263 HydrophobicContact CB-CD2 3.72Å; F162-L263 HydrophobicContact CD2-CD2 3.67Å; F162-L263 HydrophobicContact CG-CD2 4.03Å; L169-L263 HydrophobicContact CD1-CD1 4.33Å; Q255-L263 VanDerWaalsContact CA-O 3.29Å; Q255-L263 WeakPolarHBondContact CA-O 3.24Å; T256-L263 HydrophobicContact CG2-CB 4.09Å; T256-L263 HydrophobicContact CG2-CD1 4.11Å; T256-L263 HydrophobicContact CG2-CG 4.44Å; T256-L263 PolarHBondContact N-O 3.44Å; T256-L263 PolarHBondContact O-N 2.95Å; L258-L263 HydrophobicContact CB-CD1 4.24Å; H261-L263 HydrophobicContact CB-CD2 4.09Å; H261-L263 PolarHBondContact O-N 3.42Å; L263-F265 HydrophobicContact CB-CD1 4.05Å; L263-F265 HydrophobicContact CB-CE1 4.35Å; L263-L369 HydrophobicContact CD1-CD1 4.46Å; L263-L369 HydrophobicContact CD2-CD1 3.89Å
264	L	98.6	Very high	98	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.9	160.9	-177.2	71	0	0	0	107.5	V81 W138 I139 L146 F160 F162 V163 T164 V253 Q255	V81-L264 HydrophobicContact CG2-CD1 3.79Å; W138-L264 HydrophobicContact CZ3-CD2 4.45Å; I139-L264 HydrophobicContact CD1-CD2 4.07Å; I139-L264 HydrophobicContact CG1-CD2 4.05Å; L146-L264 HydrophobicContact CD1-CD2 4.45Å; F160-L264 HydrophobicContact CB-CB 4.19Å; F160-L264 HydrophobicContact CD1-CB 3.88Å; F160-L264 HydrophobicContact CD2-CB 3.91Å; F160-L264 HydrophobicContact CD2-CD2 3.94Å; F160-L264 HydrophobicContact CD2-CG 4.38Å; F160-L264 HydrophobicContact CE1-CB 4.27Å; F160-L264 HydrophobicContact CE1-CD1 4.44Å; F160-L264 HydrophobicContact CE2-CB 4.29Å; F160-L264 HydrophobicContact CE2-CD1 4.18Å; F160-L264 HydrophobicContact CE2-CD2 4.03Å; F160-L264 HydrophobicContact CE2-CG 4.41Å; F160-L264 HydrophobicContact CG-CB 3.7Å; F160-L264 HydrophobicContact CZ-CB 4.45Å; F160-L264 HydrophobicContact CZ-CD1 4.08Å; F162-L264 PolarHBondContact O-N 3.26Å; V163-L264 VanDerWaalsContact CA-O 3.28Å; V163-L264 WeakPolarHBondContact CA-O 3.27Å; V163-L264 HydrophobicContact CG2-CB 4.27Å; V163-L264 HydrophobicContact CG2-CD2 4.27Å; T164-L264 PolarHBondContact N-O 3.33Å; V253-L264 HydrophobicContact CG1-CD1 3.76Å; V253-L264 HydrophobicContact CG1-CG 4.28Å; Q255-L264 HydrophobicContact CB-CD1 4.42Å
265	F	98.9	Very high	97.7	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.8	175.9	61.1	-93.2	0	0	0	111.5	T164 R166 L169 V254 T256 L263 L317 P318	T164-F265 HydrophobicContact CG2-CB 4.08Å; T164-F265 WeakPolarHBondContact O-CA 3.49Å; T164-F265 WeakPolarHBondContact O-CB 3.49Å; R166-F265 HydrophobicContact CB-CD2 3.82Å; R166-F265 HydrophobicContact CB-CE2 4.21Å; R166-F265 HydrophobicContact CG-CD2 4.34Å; R166-F265 HydrophobicContact CG-CE2 4.23Å; L169-F265 HydrophobicContact CD1-CB 4.28Å; L169-F265 HydrophobicContact CD1-CD1 3.6Å; L169-F265 HydrophobicContact CD1-CE1 4.02Å; L169-F265 HydrophobicContact CD1-CG 3.88Å; V254-F265 HydrophobicContact CB-CE2 4.11Å; V254-F265 HydrophobicContact CB-CZ 4.22Å; V254-F265 HydrophobicContact CG1-CE2 4.35Å; V254-F265 HydrophobicContact CG1-CZ 3.99Å; V254-F265 PolarHBondContact N-O 3.33Å; V254-F265 PolarHBondContact O-N 3.46Å; T256-F265 HydrophobicContact CG2-CE1 3.67Å; T256-F265 HydrophobicContact CG2-CZ 4.37Å; L263-F265 HydrophobicContact CB-CD1 4.05Å; L263-F265 HydrophobicContact CB-CE1 4.35Å; F265-L317 HydrophobicContact CE2-CB 4.45Å; F265-L317 HydrophobicContact CZ-CB 4.3Å; F265-L317 WeakPolarHBondContact CZ-O 3.35Å; F265-P318 HydrophobicContact CE2-CB 4.26Å
266	S	98.8	Very high	97.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	151.1	174.5	-177.3	0	0	0	0	110.8	F84 T164 W165 R166 T252	F84-S266 VanDerWaalsContact CE1-OG 3.32Å; F84-S266 WeakPolarHBondContact CE1-OG 3.38Å; T164-S266 PolarHBondContact O-N 2.89Å; W165-S266 VanDerWaalsContact CZ3-CB 3.48Å; W165-S266 WeakPolarHBondContact CZ3-OG 3.46Å; R166-S266 VanDerWaalsContact CB-O 3.3Å; R166-S266 WeakPolarHBondContact CB-O 3.31Å; R166-S266 PolarHBondContact N-O 2.99Å; T252-S266 WeakPolarHBondContact O-CA 3.49Å; T252-S266 WeakPolarHBondContact O-CB 3.31Å; T252-S266 PolarHBondContact O-OG 3.23Å
267	G	98.4	Very high	97.1	Very high	4 Å²	4	43 Å²	43	4%	0.041	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	141.7	173.8	0	0	0	0	0	110.2	C251 T252	C251-G267 WeakPolarHBondContact CA-O 3.5Å; T252-G267 WeakPolarHBondContact CG2-O 3.49Å; T252-G267 PolarHBondContact N-O 3.06Å; T252-G267 PolarHBondContact O-N 3.08Å
268	E	98.6	Very high	96.9	Very high	61 Å²	61	40 Å²	40	29%	0.285	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	139.5	167.5	-172.3	172.8	-175	0	0	110	R166 A249 F250	R166-E268 PolarHBondContact NH2-O 3.1Å; A249-E268 HydrophobicContact CB-CG 4.29Å; F250-E268 WeakPolarHBondContact O-CA 3.49Å
269	V	98.6	Very high	96.8	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.03	24%	0.24	C	C	.	.			trans	-125.4	129.4	176.4	168	0	0	0	0	107.8	F250 T252 C271 Y285	F250-V269 HydrophobicContact CD1-CB 3.96Å; F250-V269 HydrophobicContact CE1-CB 4.2Å; F250-V269 PolarHBondContact O-N 3.22Å; T252-V269 HydrophobicContact CG2-CG2 3.59Å; V269-C271 WeakPolarHBondContact CG1-O 3.31Å; V269-Y285 HydrophobicContact CG1-CD1 3.62Å; V269-Y285 HydrophobicContact CG1-CD2 4.05Å; V269-Y285 HydrophobicContact CG1-CE1 4.18Å; V269-Y285 HydrophobicContact CG1-CG 3.55Å; V269-Y285 HydrophobicContact CG2-CD2 3.9Å; V269-Y285 HydrophobicContact CG2-CE2 4.17Å; V269-Y285 HydrophobicContact CG2-CG 4.26Å
270	D	98.8	Very high	96.8	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.053	26%	0.262	C	S	.	.			trans	-72.6	-43.4	-171.3	-54.3	-32	0	0	0	111.9	R100 E287 L288	R100-D270 PolarHBondContact NH2-O 2.97Å; D270-E287 WeakPolarHBondContact OD2-CA 3.48Å; D270-L288 HydrophobicContact CB-CB 4.22Å; D270-L288 HydrophobicContact CB-CD1 4.29Å; D270-L288 HydrophobicContact CB-CG 4.05Å; D270-L288 PolarHBondContact OD2-N 3.31Å
271	C	98.6	Very high	96.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	175.6	177.7	58.2	0	0	0	0	113.8	R100 C230 V269 V286	R100-C271 HydrophobicContact CB-CB 4.47Å; R100-C271 CarbonylContact O-C 3.21Å; R100-C271 VanDerWaalsContact O-CA 3.23Å; R100-C271 WeakPolarHBondContact O-CA 3.11Å; R100-C271 VanDerWaalsContact O-CB 3.27Å; R100-C271 WeakPolarHBondContact O-CB 3.19Å; C230-C271 VanDerWaalsContact SG-CB 3.52Å; V269-C271 WeakPolarHBondContact CG1-O 3.31Å; C271-V286 PolarHBondContact N-O 3.27Å; C271-V286 PolarHBondContact O-N 3.31Å
272	R	98.1	Very high	96.9	Very high	72 Å²	72	42.1 Å²	42.1	27%	0.272	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	149.3	176.1	169.8	177.5	-178.7	176.4	6.8	111.4	M99 R100 Y101 Y102 R274 C284 Y285	M99-R272 HydrophobicContact CE-CB 4.41Å; M99-R272 HydrophobicContact CG-CB 4.36Å; M99-R272 HydrophobicContact SD-CB 3.57Å; M99-R272 VanDerWaalsContact SD-CB 3.57Å; R100-R272 PolarHBondContact O-N 3.28Å; Y101-R272 CarbonylContact C-O 3.48Å; Y101-R272 WeakPolarHBondContact CA-O 3.47Å; Y102-R272 PolarHBondContact N-O 3.03Å; R272-R274 PolarHBondContact O-N 3.41Å; R272-C284 CarbonylContact C-O 3.51Å; R272-C284 WeakPolarHBondContact CA-O 3.47Å; R272-C284 HydrophobicContact CG-CB 3.9Å; R272-C284 PolarHBondContact NE-SG 3.18Å; R272-C284 VanDerWaalsContact NE-SG 3.44Å; R272-Y285 HydrophobicContact CB-CD1 4.02Å; R272-Y285 HydrophobicContact CB-CE1 4.23Å; R272-Y285 HydrophobicContact CG-CD1 4.5Å
273	D	97.1	Very high	96.9	Very high	30 Å²	30	40.4 Å²	40.4	16%	0.16	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.7	125.4	166.2	-84.1	-42.7	0	0	0	112.5	D275 A278 C284 R322	D273-D275 PolarHBondContact O-N 3.12Å; D273-A278 HydrophobicContact CB-CB 3.73Å; D273-C284 HydrophobicContact CB-CB 4.47Å; D273-C284 PolarHBondContact N-O 3.14Å; D273-R322 IonicContact OD1-CZ 3.69Å; D273-R322 VanDerWaalsContact OD1-CZ 3.3Å; D273-R322 IonicContact OD1-NH1 3.92Å; D273-R322 IonicContact OD1-NH2 2.73Å; D273-R322 PolarHBondContact OD1-NH2 3.14Å; D273-R322 IonicContact OD2-CZ 2.79Å; D273-R322 IonicContact OD2-NH1 3.35Å; D273-R322 IonicContact OD2-NH2 3.51Å
274	R	94.2	Very high	96.8	Very high	108 Å²	108	40.1 Å²	40.1	41%	0.408	24%	0.241	S	C	.	.			trans	-70.1	-16.5	178.7	72.3	179.3	-177.6	177.9	-1.7	114.5	Y101 E237 R272 P276	Y101-R274 HydrophobicContact CD1-CB 4.46Å; E237-R274 IonicContact OE1-NH1 3.34Å; R272-R274 PolarHBondContact O-N 3.41Å; R274-P276 WeakPolarHBondContact O-CD 3.43Å
275	D	92.9	Very high	96.8	Very high	99 Å²	99	40.4 Å²	40.4	53%	0.529	24%	0.242	S	C	.	.			trans	-62.7	121.3	179.8	-176.9	-3	0	0	0	110.6	D273 G277 A278	D273-D275 PolarHBondContact O-N 3.12Å; D275-G277 PolarHBondContact O-N 2.81Å; D275-G277 VanDerWaalsContact O-N 3.15Å; D275-G277 PolarHBondContact OD1-N 2.83Å; D275-A278 HydrophobicContact CB-CB 4.39Å; D275-A278 WeakPolarHBondContact O-CB 3.16Å; D275-A278 PolarHBondContact O-N 2.92Å
276	P	88.8	Confident	96.8	Very high	127 Å²	127	40.4 Å²	40.4	83%	0.825	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.8	173.9	-24.3	34.6	0	0	0	113.8	R274 A278	R274-P276 WeakPolarHBondContact O-CD 3.43Å; P276-A278 VanDerWaalsContact C-N 3.33Å
277	G	94.1	Very high	96.8	Very high	64 Å²	64	40.5 Å²	40.5	66%	0.66	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	1.9	175.4	0	0	0	0	0	114.9	D275	D275-G277 PolarHBondContact O-N 2.81Å; D275-G277 VanDerWaalsContact O-N 3.15Å; D275-G277 PolarHBondContact OD1-N 2.83Å
278	A	94.7	Very high	96.9	Very high	16 Å²	16	40.6 Å²	40.6	13%	0.132	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-58.3	146.4	178	0	0	0	0	0	111.5	D273 D275 P276 C284	D273-A278 HydrophobicContact CB-CB 3.73Å; D275-A278 HydrophobicContact CB-CB 4.39Å; D275-A278 WeakPolarHBondContact O-CB 3.16Å; D275-A278 PolarHBondContact O-N 2.92Å; P276-A278 VanDerWaalsContact C-N 3.33Å; A278-C284 HydrophobicContact CB-CB 3.95Å
279	P	96.3	Very high	96.9	Very high	62 Å²	62	39.7 Å²	39.7	40%	0.403	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-60	162.2	179.6	27.8	-36.9	0	0	0	111.8	A283 C284	P279-A283 HydrophobicContact CB-CB 3.92Å; P279-A283 HydrophobicContact CG-CB 3.79Å; P279-A283 WeakPolarHBondContact CG-O 3.27Å; P279-C284 WeakPolarHBondContact O-CB 3.46Å
280	P	96.7	Very high	96.8	Very high	99 Å²	99	40.5 Å²	40.5	64%	0.643	24%	0.242	S	C	*	.	S	Bend	trans	-63.7	155	177.5	27.4	-35	0	0	0	111.7	A283	P280-A283 WeakPolarHBondContact O-CB 3.39Å; P280-A283 PolarHBondContact O-N 3.46Å
281	P	97.7	Very high	96.8	Very high	37 Å²	37	40.3 Å²	40.3	24%	0.24	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	142.8	168.6	-28.7	35.9	0	0	0	112.6	E80 Y285	E80-P281 HydrophobicContact CB-CB 4.09Å; E80-P281 VanDerWaalsContact CD-CB 3.48Å; E80-P281 HydrophobicContact CG-CB 4.39Å; E80-P281 VanDerWaalsContact OE1-CB 3.23Å; E80-P281 WeakPolarHBondContact OE1-CB 3.36Å; P281-Y285 HydrophobicContact CB-CE1 4.47Å; P281-Y285 HydrophobicContact CB-CE2 3.87Å; P281-Y285 HydrophobicContact CG-CE1 4.46Å
282	P	97.6	Very high	96.8	Very high	13 Å²	13	42.7 Å²	42.7	8%	0.084	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	cis	-85.8	2.4	2.2	34.2	-35.7	0	0	0	114.5	C284 Y285 P318	P282-C284 VanDerWaalsContact C-N 3.27Å; P282-C284 PolarHBondContact O-N 3.07Å; P282-Y285 VanDerWaalsContact CA-CD2 3.49Å; P282-Y285 HydrophobicContact CB-CD2 3.77Å; P282-Y285 HydrophobicContact CB-CE2 4.11Å; P282-Y285 WeakPolarHBondContact O-CB 3.39Å; P282-Y285 WeakPolarHBondContact O-CD2 3.33Å; P282-Y285 PolarHBondContact O-N 3.27Å; P282-Y285 VanDerWaalsContact O-N 3.12Å; P282-P318 WeakPolarHBondContact CB-O 3.3Å; P282-P318 WeakPolarHBondContact CG-O 3.5Å
283	A	98	Very high	96.7	Very high	36 Å²	36	43.3 Å²	43.3	30%	0.298	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-11.9	-170.3	0	0	0	0	0	114.6	P279 P280 P321	P279-A283 HydrophobicContact CB-CB 3.92Å; P279-A283 HydrophobicContact CG-CB 3.79Å; P279-A283 WeakPolarHBondContact CG-O 3.27Å; P280-A283 WeakPolarHBondContact O-CB 3.39Å; P280-A283 PolarHBondContact O-N 3.46Å; A283-P321 WeakPolarHBondContact O-CG 3.38Å
284	C	97.9	Very high	96.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-2.7	171.2	55.5	0	0	0	0	113.9	R272 D273 A278 P279 P282	R272-C284 CarbonylContact C-O 3.51Å; R272-C284 WeakPolarHBondContact CA-O 3.47Å; R272-C284 HydrophobicContact CG-CB 3.9Å; R272-C284 PolarHBondContact NE-SG 3.18Å; R272-C284 VanDerWaalsContact NE-SG 3.44Å; D273-C284 HydrophobicContact CB-CB 4.47Å; D273-C284 PolarHBondContact N-O 3.14Å; A278-C284 HydrophobicContact CB-CB 3.95Å; P279-C284 WeakPolarHBondContact O-CB 3.46Å; P282-C284 VanDerWaalsContact C-N 3.27Å; P282-C284 PolarHBondContact O-N 3.07Å
285	Y	98.7	Very high	96.7	Very high	5 Å²	5	42.3 Å²	42.3	2%	0.02	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	152.9	-174.8	-65.2	-34.5	0	0	0	112.7	E80 M99 F250 T252 V269 R272 P281 P282 P321	E80-Y285 WeakPolarHBondContact OE2-CE2 3.36Å; E80-Y285 PolarHBondContact OE2-OH 2.96Å; M99-Y285 HydrophobicContact CE-CD1 4.27Å; M99-Y285 HydrophobicContact CE-CE1 3.47Å; M99-Y285 VanDerWaalsContact CE-CE1 3.47Å; M99-Y285 HydrophobicContact SD-CE1 4.45Å; F250-Y285 HydrophobicContact CE1-CE1 4.4Å; F250-Y285 WeakPolarHBondContact CZ-OH 3.31Å; T252-Y285 HydrophobicContact CG2-CE2 4.4Å; V269-Y285 HydrophobicContact CG1-CD1 3.62Å; V269-Y285 HydrophobicContact CG1-CD2 4.05Å; V269-Y285 HydrophobicContact CG1-CE1 4.18Å; V269-Y285 HydrophobicContact CG1-CG 3.55Å; V269-Y285 HydrophobicContact CG2-CD2 3.9Å; V269-Y285 HydrophobicContact CG2-CE2 4.17Å; V269-Y285 HydrophobicContact CG2-CG 4.26Å; R272-Y285 HydrophobicContact CB-CD1 4.02Å; R272-Y285 HydrophobicContact CB-CE1 4.23Å; R272-Y285 HydrophobicContact CG-CD1 4.5Å; P281-Y285 HydrophobicContact CB-CE1 4.47Å; P281-Y285 HydrophobicContact CB-CE2 3.87Å; P281-Y285 HydrophobicContact CG-CE1 4.46Å; P282-Y285 VanDerWaalsContact CA-CD2 3.49Å; P282-Y285 HydrophobicContact CB-CD2 3.77Å; P282-Y285 HydrophobicContact CB-CE2 4.11Å; P282-Y285 WeakPolarHBondContact O-CB 3.39Å; P282-Y285 WeakPolarHBondContact O-CD2 3.33Å; P282-Y285 PolarHBondContact O-N 3.27Å; P282-Y285 VanDerWaalsContact O-N 3.12Å; Y285-P321 WeakPolarHBondContact O-CD 3.43Å
286	V	98.8	Very high	96.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	127	179.4	-174.5	0	0	0	0	107.9	Y102 C271 L288 R322 V324	Y102-V286 HydrophobicContact CD2-CG1 4.06Å; Y102-V286 HydrophobicContact CE2-CG1 4.33Å; Y102-V286 HydrophobicContact CG-CG1 4.46Å; Y102-V286 HydrophobicContact CG-CG2 4.29Å; C271-V286 PolarHBondContact N-O 3.27Å; C271-V286 PolarHBondContact O-N 3.31Å; V286-L288 HydrophobicContact CG1-CD2 4.07Å; V286-R322 HydrophobicContact CG1-CG 4.28Å; V286-R322 HydrophobicContact CG2-CG 4.38Å; V286-V324 HydrophobicContact CG1-CB 4.3Å; V286-V324 HydrophobicContact CG1-CG2 3.59Å
287	E	98.9	Very high	97.2	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.7	171.1	-175.8	88.8	-171.8	0	0	108.8	R166 D270 K289 Q314 V320 R322 V323 V324	R166-E287 IonicContact NH1-OE2 3.48Å; D270-E287 WeakPolarHBondContact OD2-CA 3.48Å; E287-K289 HydrophobicContact CG-CG 4.45Å; E287-K289 WeakPolarHBondContact OE1-CE 3.42Å; E287-K289 IonicContact OE1-NZ 3.85Å; E287-K289 PolarHBondContact OE1-NZ 3.31Å; E287-Q314 PolarHBondContact OE1-NE2 3.28Å; E287-Q314 PolarHBondContact OE1-OE1 2.95Å; E287-V320 HydrophobicContact CB-CG1 4.16Å; E287-R322 PolarHBondContact N-O 2.93Å; E287-R322 VanDerWaalsContact N-O 3.15Å; E287-V323 HydrophobicContact CB-CG2 3.91Å; E287-V323 HydrophobicContact CG-CG2 4.16Å; E287-V323 CarbonylContact O-C 3.56Å; E287-V323 VanDerWaalsContact O-CA 3.23Å; E287-V323 WeakPolarHBondContact O-CA 3.42Å; E287-V324 PolarHBondContact O-N 2.97Å
288	L	98.9	Very high	97.2	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.026	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.1	179.8	-60	-177.6	0	0	0	109.9	Y102 F225 E226 M229 C230 D270 V286 V324	Y102-L288 HydrophobicContact CD2-CD2 4.17Å; Y102-L288 HydrophobicContact CE2-CD2 4.18Å; F225-L288 HydrophobicContact CD1-CB 4.23Å; F225-L288 HydrophobicContact CE1-CB 4.17Å; F225-L288 HydrophobicContact CE1-CD2 4.49Å; E226-L288 HydrophobicContact CB-CD1 4.17Å; E226-L288 HydrophobicContact CG-CB 4.17Å; E226-L288 HydrophobicContact CG-CD1 4.03Å; M229-L288 HydrophobicContact CB-CD1 3.67Å; M229-L288 HydrophobicContact CB-CD2 4.34Å; M229-L288 HydrophobicContact CE-CD2 4.49Å; M229-L288 HydrophobicContact CG-CD1 4.42Å; C230-L288 VanDerWaalsContact SG-CD1 3.52Å; D270-L288 HydrophobicContact CB-CB 4.22Å; D270-L288 HydrophobicContact CB-CD1 4.29Å; D270-L288 HydrophobicContact CB-CG 4.05Å; D270-L288 PolarHBondContact OD2-N 3.31Å; V286-L288 HydrophobicContact CG1-CD2 4.07Å; L288-V324 WeakPolarHBondContact CA-O 3.34Å; L288-V324 HydrophobicContact CD2-CB 3.86Å; L288-V324 HydrophobicContact CD2-CG1 4.47Å
289	K	98.7	Very high	97.3	Very high	42 Å²	42	45.9 Å²	45.9	18%	0.183	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.7	178.8	-64.5	-66.3	168.5	-141	0	111.5	F225 E287 W311 Q314 V323 V324 A325 G326	F225-K289 VanDerWaalsContact CE1-O 3.24Å; F225-K289 WeakPolarHBondContact CE1-O 3.3Å; E287-K289 HydrophobicContact CG-CG 4.45Å; E287-K289 WeakPolarHBondContact OE1-CE 3.42Å; E287-K289 IonicContact OE1-NZ 3.85Å; E287-K289 PolarHBondContact OE1-NZ 3.31Å; K289-W311 HydrophobicContact CB-CD2 4.25Å; K289-W311 HydrophobicContact CB-CH2 3.75Å; K289-W311 HydrophobicContact CB-CZ2 3.35Å; K289-W311 HydrophobicContact CB-CZ3 4.34Å; K289-W311 HydrophobicContact CG-CD2 3.93Å; K289-W311 HydrophobicContact CG-CG 4.2Å; K289-W311 HydrophobicContact CG-CH2 4.48Å; K289-W311 HydrophobicContact CG-CZ2 3.9Å; K289-Q314 VanDerWaalsContact NZ-OE1 3.11Å; K289-V323 HydrophobicContact CB-CG1 4.03Å; K289-V323 HydrophobicContact CG-CG1 3.61Å; K289-V324 PolarHBondContact N-O 3.4Å; K289-A325 CarbonylContact O-C 3.59Å; K289-A325 VanDerWaalsContact O-CA 3.24Å; K289-A325 WeakPolarHBondContact O-CA 3.49Å; K289-G326 PolarHBondContact O-N 2.99Å
290	T	98.4	Very high	97.3	Very high	22 Å²	22	48.4 Å²	48.4	14%	0.135	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.3	165.7	70.9	0	0	0	0	111	L113 F225 G326 R328	L113-T290 HydrophobicContact CD1-CG2 4.07Å; F225-T290 HydrophobicContact CB-CG2 3.39Å; F225-T290 HydrophobicContact CD1-CG2 3.68Å; F225-T290 HydrophobicContact CD2-CG2 4.29Å; F225-T290 HydrophobicContact CG-CG2 3.52Å; T290-G326 CarbonylContact C-O 3.59Å; T290-G326 VanDerWaalsContact CA-O 3.25Å; T290-G326 WeakPolarHBondContact CA-O 3.27Å; T290-R328 VanDerWaalsContact C-NH1 3.29Å; T290-R328 VanDerWaalsContact CB-NH1 3.3Å; T290-R328 PolarHBondContact OG1-NH1 3.44Å
291	S	98.1	Very high	97.3	Very high	6 Å²	6	44.6 Å²	44.6	4%	0.042	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	156.1	169.4	-173.9	0	0	0	0	110.7	K307 G326 F327 R328	S291-K307 PolarHBondContact OG-NZ 3.47Å; S291-G326 PolarHBondContact N-O 2.91Å; S291-F327 CarbonylContact O-C 3.57Å; S291-F327 VanDerWaalsContact O-CA 3.29Å; S291-F327 WeakPolarHBondContact O-CA 3.35Å; S291-R328 PolarHBondContact O-N 3.39Å; S291-R328 PolarHBondContact O-NH1 3.06Å
292	A	97.3	Very high	97.2	Very high	51 Å²	51	45.7 Å²	45.7	42%	0.421	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	145.3	165.1	0	0	0	0	0	109.1	F327 R328	A292-F327 WeakPolarHBondContact O-CD1 3.31Å; A292-R328 CarbonylContact C-O 3.54Å; A292-R328 WeakPolarHBondContact CA-O 3.21Å
293	E	96.4	Very high	97.2	Very high	84 Å²	84	45.6 Å²	45.6	39%	0.393	25%	0.25	S	S	.	.			trans	-54.7	146.1	174.5	-169.7	-179.9	-148.9	0	0	111.6	R328 V335	E293-R328 PolarHBondContact N-O 2.94Å; E293-V335 HydrophobicContact CG-CG2 4.34Å
294	I	96.3	Very high	97.1	Very high	26 Å²	26	45 Å²	45	13%	0.133	24%	0.241	C	C	.	.			trans	-107.1	93.7	-176.8	-59.2	175.4	0	0	0	108.7	Q299 R300 F303 F327	I294-Q299 HydrophobicContact CG2-CB 4.08Å; I294-R300 HydrophobicContact CG2-CB 3.59Å; I294-R300 HydrophobicContact CG2-CG 4.28Å; I294-F303 HydrophobicContact CD1-CB 3.76Å; I294-F303 HydrophobicContact CD1-CD1 3.83Å; I294-F303 HydrophobicContact CD1-CD2 4.13Å; I294-F303 HydrophobicContact CD1-CG 3.63Å; I294-F327 HydrophobicContact CD1-CD1 4.5Å; I294-F327 HydrophobicContact CD1-CE1 3.66Å; I294-F327 HydrophobicContact CD1-CZ 4.08Å; I294-F327 HydrophobicContact CG1-CD1 4.38Å; I294-F327 HydrophobicContact CG1-CE1 4Å
295	C	94.9	Very high	97	Very high	92 Å²	92	48.2 Å²	48.2	62%	0.622	25%	0.253	S	S	*	.			trans	-93	-17.5	-178.1	-45.2	0	0	0	0	112.7
296	T	96.6	Very high	96.9	Very high	59 Å²	59	53.2 Å²	53.2	36%	0.362	28%	0.275	S	S	.	.	S	Bend	trans	-129.1	152.7	-174	66.9	0	0	0	0	113	K298 Q299 R300	T296-K298 PolarHBondContact O-N 3.07Å; T296-Q299 PolarHBondContact O-N 2.8Å; T296-Q299 WeakPolarHBondContact OG1-CB 3.2Å; T296-Q299 VanDerWaalsContact OG1-CD 3.24Å; T296-Q299 WeakPolarHBondContact OG1-CG 3.45Å; T296-Q299 PolarHBondContact OG1-N 3.13Å; T296-Q299 VanDerWaalsContact OG1-N 3.16Å; T296-Q299 PolarHBondContact OG1-OE1 3.16Å; T296-R300 PolarHBondContact O-N 3.18Å
297	P	95.8	Very high	96.8	Very high	114 Å²	114	56.5 Å²	56.5	74%	0.74	29%	0.29	S	S	*	.	H	α-helix	trans	-56.8	-33.7	172.9	-26.5	35.1	0	0	0	113.4	R300 S301	P297-R300 WeakPolarHBondContact O-CB 3.23Å; P297-R300 PolarHBondContact O-N 2.96Å; P297-S301 PolarHBondContact O-N 3.15Å
298	K	95.6	Very high	96.8	Very high	127 Å²	127	56.5 Å²	56.5	55%	0.552	29%	0.29	S	S	*	.	H	α-helix	trans	-68.2	-43	178	-177.7	59	178.7	177	0	112.2	T296 R300 S301 N302	T296-K298 PolarHBondContact O-N 3.07Å; K298-R300 VanDerWaalsContact C-N 3.28Å; K298-R300 PolarHBondContact O-N 2.82Å; K298-S301 PolarHBondContact O-N 3.33Å; K298-N302 PolarHBondContact O-N 3.31Å
299	Q	96.2	Very high	96.7	Very high	80 Å²	80	56.6 Å²	56.6	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-61.4	-39.9	173.3	-74.5	162.3	-29.2	0	0	110.9	I294 T296 N302 F303	I294-Q299 HydrophobicContact CG2-CB 4.08Å; T296-Q299 PolarHBondContact O-N 2.8Å; T296-Q299 WeakPolarHBondContact OG1-CB 3.2Å; T296-Q299 VanDerWaalsContact OG1-CD 3.24Å; T296-Q299 WeakPolarHBondContact OG1-CG 3.45Å; T296-Q299 PolarHBondContact OG1-N 3.13Å; T296-Q299 VanDerWaalsContact OG1-N 3.16Å; T296-Q299 PolarHBondContact OG1-OE1 3.16Å; Q299-N302 PolarHBondContact O-N 3.05Å; Q299-F303 WeakPolarHBondContact O-CB 3.16Å; Q299-F303 PolarHBondContact O-N 3.25Å
300	R	95.9	Very high	96.7	Very high	115 Å²	115	58.6 Å²	58.6	43%	0.434	30%	0.299	S	S	.	.	H	α-helix	trans	-61.6	-48.9	176.1	-168.5	174.9	-63.4	-80.6	-3.8	112.1	I294 T296 P297 K298 N302 F303 H304	I294-R300 HydrophobicContact CG2-CB 3.59Å; I294-R300 HydrophobicContact CG2-CG 4.28Å; T296-R300 PolarHBondContact O-N 3.18Å; P297-R300 WeakPolarHBondContact O-CB 3.23Å; P297-R300 PolarHBondContact O-N 2.96Å; K298-R300 VanDerWaalsContact C-N 3.28Å; K298-R300 PolarHBondContact O-N 2.82Å; R300-N302 VanDerWaalsContact C-N 3.34Å; R300-N302 PolarHBondContact O-N 2.6Å; R300-F303 WeakPolarHBondContact O-CB 3.42Å; R300-F303 PolarHBondContact O-N 2.87Å; R300-H304 PolarHBondContact O-N 3.12Å
301	S	96	Very high	96.7	Very high	19 Å²	19	58.3 Å²	58.3	13%	0.133	30%	0.295	C	S	.	.	H	α-helix	trans	-57.7	-45.9	175.4	174.3	0	0	0	0	111.5	P297 K298 F303 H304 R305 E352	P297-S301 PolarHBondContact O-N 3.15Å; K298-S301 PolarHBondContact O-N 3.33Å; S301-F303 PolarHBondContact O-N 2.83Å; S301-H304 PolarHBondContact O-N 3.16Å; S301-R305 WeakPolarHBondContact O-CB 3.41Å; S301-R305 WeakPolarHBondContact O-CG 3.36Å; S301-R305 PolarHBondContact O-N 3.13Å; S301-E352 VanDerWaalsContact CB-OE1 3.22Å; S301-E352 WeakPolarHBondContact CB-OE1 3.43Å; S301-E352 PolarHBondContact OG-OE1 2.95Å
302	N	95.9	Very high	96.8	Very high	61 Å²	61	58.4 Å²	58.4	33%	0.326	30%	0.295	S	S	.	.	H	α-helix	trans	-63.1	-41	176.4	-72.4	-8.7	0	0	0	112.1	K298 Q299 R300 R305 F306	K298-N302 PolarHBondContact O-N 3.31Å; Q299-N302 PolarHBondContact O-N 3.05Å; R300-N302 VanDerWaalsContact C-N 3.34Å; R300-N302 PolarHBondContact O-N 2.6Å; N302-R305 PolarHBondContact O-N 2.79Å; N302-F306 HydrophobicContact CB-CD2 4.13Å; N302-F306 HydrophobicContact CB-CE2 4.3Å; N302-F306 WeakPolarHBondContact O-CD2 3.14Å; N302-F306 PolarHBondContact O-N 3.49Å
303	F	97.1	Very high	96.8	Very high	11 Å²	11	56 Å²	56	5%	0.048	28%	0.275	C	S	.	.	I	π-helix	trans	-59	-50.1	175.5	170.4	-99.2	0	0	0	111.3	I294 Q299 R300 S301 R305 K307 L308 W311 F327 F340	I294-F303 HydrophobicContact CD1-CB 3.76Å; I294-F303 HydrophobicContact CD1-CD1 3.83Å; I294-F303 HydrophobicContact CD1-CD2 4.13Å; I294-F303 HydrophobicContact CD1-CG 3.63Å; Q299-F303 WeakPolarHBondContact O-CB 3.16Å; Q299-F303 PolarHBondContact O-N 3.25Å; R300-F303 WeakPolarHBondContact O-CB 3.42Å; R300-F303 PolarHBondContact O-N 2.87Å; S301-F303 PolarHBondContact O-N 2.83Å; F303-R305 PolarHBondContact O-N 3.15Å; F303-K307 HydrophobicContact CD2-CB 3.9Å; F303-K307 HydrophobicContact CD2-CD 3.93Å; F303-K307 HydrophobicContact CD2-CG 4.25Å; F303-K307 HydrophobicContact CE2-CB 4.24Å; F303-K307 HydrophobicContact CE2-CD 3.93Å; F303-K307 HydrophobicContact CE2-CG 4.2Å; F303-K307 PolarHBondContact O-N 2.96Å; F303-L308 HydrophobicContact CE1-CB 4.45Å; F303-L308 HydrophobicContact CE1-CD1 4.27Å; F303-L308 HydrophobicContact CE1-CD2 4.47Å; F303-L308 HydrophobicContact CZ-CD1 4.19Å; F303-L308 PolarHBondContact O-N 2.99Å; F303-W311 HydrophobicContact CE2-CE3 4.15Å; F303-W311 AromaticContact CE2-CH2 3.52Å; F303-W311 HydrophobicContact CE2-CH2 3.52Å; F303-W311 HydrophobicContact CE2-CZ2 4.14Å; F303-W311 AromaticContact CE2-CZ3 3.53Å; F303-W311 HydrophobicContact CE2-CZ3 3.53Å; F303-W311 AromaticContact CZ-CE3 3.95Å; F303-W311 HydrophobicContact CZ-CE3 3.95Å; F303-W311 AromaticContact CZ-CH2 3.91Å; F303-W311 HydrophobicContact CZ-CH2 3.91Å; F303-W311 AromaticContact CZ-CZ3 3.41Å; F303-W311 HydrophobicContact CZ-CZ3 3.41Å; F303-W311 VanDerWaalsContact CZ-CZ3 3.41Å; F303-F327 HydrophobicContact CE2-CE1 4.43Å; F303-F327 HydrophobicContact CZ-CZ 4.44Å; F303-F340 AromaticContact CE1-CE1 3.97Å; F303-F340 HydrophobicContact CE1-CE1 3.97Å; F303-F340 AromaticContact CE1-CZ 3.84Å; F303-F340 HydrophobicContact CE1-CZ 3.84Å; F303-F340 HydrophobicContact CZ-CE1 4.31Å; F303-F340 HydrophobicContact CZ-CE2 4.16Å; F303-F340 AromaticContact CZ-CZ 3.88Å; F303-F340 HydrophobicContact CZ-CZ 3.88Å
304	H	96.9	Very high	96.9	Very high	24 Å²	24	54.1 Å²	54.1	11%	0.111	27%	0.266	C	S	.	.	I	π-helix	trans	-59.2	-45.7	176.4	-67.8	168	0	0	0	112.4	R300 S301 I349 E352 W356	R300-H304 PolarHBondContact O-N 3.12Å; S301-H304 PolarHBondContact O-N 3.16Å; H304-I349 HydrophobicContact CB-CG2 4.2Å; H304-E352 HydrophobicContact CB-CG 4.32Å; H304-E352 IonicContact CG-OE2 2.84Å; H304-E352 IonicContact ND1-OE2 2.96Å; H304-E352 PolarHBondContact ND1-OE2 3.15Å; H304-W356 PolarHBondContact O-NE1 3.47Å
305	R	95.7	Very high	97	Very high	66 Å²	66	52.9 Å²	52.9	25%	0.249	26%	0.26	C	S	.	.	I	π-helix	trans	-73.9	-31.8	-172.4	-71.1	175	66.8	-163.5	-3.5	114.2	S301 N302 F303 E352 N354 C355 W356	S301-R305 WeakPolarHBondContact O-CB 3.41Å; S301-R305 WeakPolarHBondContact O-CG 3.36Å; S301-R305 PolarHBondContact O-N 3.13Å; N302-R305 PolarHBondContact O-N 2.79Å; F303-R305 PolarHBondContact O-N 3.15Å; R305-E352 HydrophobicContact CG-CG 3.74Å; R305-N354 PolarHBondContact NE-O 2.71Å; R305-C355 HydrophobicContact CG-CB 4.35Å; R305-W356 VanDerWaalsContact O-CD1 3.24Å
306	F	95.9	Very high	97.2	Very high	110 Å²	110	50.8 Å²	50.8	48%	0.482	24%	0.24	S	C	.	.	I	π-helix	trans	-118.8	-48.4	-170	-53.4	-61.5	0	0	0	113	N302	N302-F306 HydrophobicContact CB-CD2 4.13Å; N302-F306 HydrophobicContact CB-CE2 4.3Å; N302-F306 WeakPolarHBondContact O-CD2 3.14Å; N302-F306 PolarHBondContact O-N 3.49Å
307	K	97.3	Very high	97.3	Very high	71 Å²	71	48 Å²	48	31%	0.309	22%	0.223	S	C	.	.	I	π-helix	trans	-81.2	-44.9	-173.5	-167.9	171.3	-63.5	-174.6	0	111.6	S291 F303 L309 K310 W311	S291-K307 PolarHBondContact OG-NZ 3.47Å; F303-K307 HydrophobicContact CD2-CB 3.9Å; F303-K307 HydrophobicContact CD2-CD 3.93Å; F303-K307 HydrophobicContact CD2-CG 4.25Å; F303-K307 HydrophobicContact CE2-CB 4.24Å; F303-K307 HydrophobicContact CE2-CD 3.93Å; F303-K307 HydrophobicContact CE2-CG 4.2Å; F303-K307 PolarHBondContact O-N 2.96Å; K307-L309 PolarHBondContact O-N 3.26Å; K307-K310 PolarHBondContact O-N 3.24Å; K307-K310 VanDerWaalsContact O-N 3.08Å; K307-W311 HydrophobicContact CD-CH2 4.2Å; K307-W311 HydrophobicContact CD-CZ2 3.44Å; K307-W311 VanDerWaalsContact CD-CZ2 3.44Å; K307-W311 HydrophobicContact CG-CD2 4.25Å; K307-W311 HydrophobicContact CG-CZ2 3.81Å; K307-W311 PolarHBondContact O-N 2.92Å; K307-W311 VanDerWaalsContact O-N 3.13Å
308	L	97.9	Very high	97.4	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-65.5	-27.5	-178.1	-162.9	61.1	0	0	0	112.5	F303 W311 W312 F340 I345 I349 W356	F303-L308 HydrophobicContact CE1-CB 4.45Å; F303-L308 HydrophobicContact CE1-CD1 4.27Å; F303-L308 HydrophobicContact CE1-CD2 4.47Å; F303-L308 HydrophobicContact CZ-CD1 4.19Å; F303-L308 PolarHBondContact O-N 2.99Å; L308-W311 HydrophobicContact CD1-CE3 4.06Å; L308-W312 VanDerWaalsContact O-CB 3.23Å; L308-W312 WeakPolarHBondContact O-CB 3.37Å; L308-W312 PolarHBondContact O-N 3.02Å; L308-F340 HydrophobicContact CD1-CD1 4.22Å; L308-F340 HydrophobicContact CD1-CG 4.44Å; L308-I345 HydrophobicContact CD1-CD1 3.81Å; L308-I345 HydrophobicContact CD1-CG1 4.23Å; L308-I345 HydrophobicContact CD2-CG1 4.47Å; L308-I345 HydrophobicContact CD2-CG2 3.86Å; L308-I345 HydrophobicContact CG-CD1 4.18Å; L308-I345 HydrophobicContact CG-CG1 4.38Å; L308-I345 HydrophobicContact CG-CG2 3.85Å; L308-I349 HydrophobicContact CD2-CG2 3.93Å; L308-W356 HydrophobicContact CB-CZ2 4.45Å; L308-W356 HydrophobicContact CG-CZ2 4.45Å
309	L	98.4	Very high	97.6	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.037	17%	0.173	C	C	.	.	H	α-helix	trans	-56.7	-52.6	168.9	170.9	58.3	0	0	0	111.6	T174 Y177 K307 W311 W312 A313 W356	T174-L309 HydrophobicContact CG2-CD1 4.1Å; T174-L309 HydrophobicContact CG2-CD2 4.15Å; T174-L309 HydrophobicContact CG2-CG 3.79Å; Y177-L309 HydrophobicContact CD2-CD2 4.23Å; Y177-L309 HydrophobicContact CG-CD2 4.2Å; K307-L309 PolarHBondContact O-N 3.26Å; L309-W311 VanDerWaalsContact C-N 3.35Å; L309-W311 PolarHBondContact O-N 2.62Å; L309-W312 HydrophobicContact CD1-CE3 4.37Å; L309-W312 PolarHBondContact O-N 3.48Å; L309-A313 WeakPolarHBondContact O-CB 3.5Å; L309-A313 PolarHBondContact O-N 2.78Å; L309-W356 VanDerWaalsContact CA-CE2 3.46Å; L309-W356 VanDerWaalsContact CA-CZ2 3.47Å; L309-W356 HydrophobicContact CB-CD2 3.79Å; L309-W356 HydrophobicContact CB-CE3 4.47Å; L309-W356 HydrophobicContact CB-CG 3.85Å; L309-W356 HydrophobicContact CB-CZ2 4.18Å; L309-W356 HydrophobicContact CD1-CB 4.16Å; L309-W356 HydrophobicContact CD1-CD2 3.56Å; L309-W356 HydrophobicContact CD1-CE3 3.48Å; L309-W356 VanDerWaalsContact CD1-CE3 3.48Å; L309-W356 HydrophobicContact CD1-CG 3.85Å; L309-W356 HydrophobicContact CD1-CZ3 4.06Å; L309-W356 HydrophobicContact CD2-CB 4.23Å; L309-W356 HydrophobicContact CD2-CG 4.22Å; L309-W356 HydrophobicContact CG-CD2 4.17Å; L309-W356 HydrophobicContact CG-CG 4.16Å
310	K	98.4	Very high	97.7	Very high	85 Å²	85	34 Å²	34	37%	0.37	16%	0.156	S	C	.	.	H	α-helix	trans	-64.6	-41.9	-177.6	-64.4	-169.3	177.2	-164.6	0	110.6	T174 E178 K307 A313 Q314	T174-K310 HydrophobicContact CG2-CG 4.37Å; E178-K310 IonicContact OE2-NZ 3.07Å; E178-K310 PolarHBondContact OE2-NZ 3.03Å; K307-K310 PolarHBondContact O-N 3.24Å; K307-K310 VanDerWaalsContact O-N 3.08Å; K310-A313 PolarHBondContact O-N 2.8Å; K310-Q314 VanDerWaalsContact O-CB 3.23Å; K310-Q314 WeakPolarHBondContact O-CB 3.37Å; K310-Q314 PolarHBondContact O-N 3.07Å
311	W	98.6	Very high	97.8	Very high	15 Å²	15	30.5 Å²	30.5	6%	0.057	15%	0.149	C	C	.	.	H	α-helix	trans	-64.8	-44.7	177.4	-64.7	-1	0	0	0	112.6	K289 F303 K307 L308 L309 Q314 S315 V323 A325 F340	K289-W311 HydrophobicContact CB-CD2 4.25Å; K289-W311 HydrophobicContact CB-CH2 3.75Å; K289-W311 HydrophobicContact CB-CZ2 3.35Å; K289-W311 HydrophobicContact CB-CZ3 4.34Å; K289-W311 HydrophobicContact CG-CD2 3.93Å; K289-W311 HydrophobicContact CG-CG 4.2Å; K289-W311 HydrophobicContact CG-CH2 4.48Å; K289-W311 HydrophobicContact CG-CZ2 3.9Å; F303-W311 HydrophobicContact CE2-CE3 4.15Å; F303-W311 AromaticContact CE2-CH2 3.52Å; F303-W311 HydrophobicContact CE2-CH2 3.52Å; F303-W311 HydrophobicContact CE2-CZ2 4.14Å; F303-W311 AromaticContact CE2-CZ3 3.53Å; F303-W311 HydrophobicContact CE2-CZ3 3.53Å; F303-W311 AromaticContact CZ-CE3 3.95Å; F303-W311 HydrophobicContact CZ-CE3 3.95Å; F303-W311 AromaticContact CZ-CH2 3.91Å; F303-W311 HydrophobicContact CZ-CH2 3.91Å; F303-W311 AromaticContact CZ-CZ3 3.41Å; F303-W311 HydrophobicContact CZ-CZ3 3.41Å; F303-W311 VanDerWaalsContact CZ-CZ3 3.41Å; K307-W311 HydrophobicContact CD-CH2 4.2Å; K307-W311 HydrophobicContact CD-CZ2 3.44Å; K307-W311 VanDerWaalsContact CD-CZ2 3.44Å; K307-W311 HydrophobicContact CG-CD2 4.25Å; K307-W311 HydrophobicContact CG-CZ2 3.81Å; K307-W311 PolarHBondContact O-N 2.92Å; K307-W311 VanDerWaalsContact O-N 3.13Å; L308-W311 HydrophobicContact CD1-CE3 4.06Å; L309-W311 VanDerWaalsContact C-N 3.35Å; L309-W311 PolarHBondContact O-N 2.62Å; W311-Q314 PolarHBondContact O-N 3.19Å; W311-S315 WeakPolarHBondContact O-CB 3.14Å; W311-S315 PolarHBondContact O-N 3.01Å; W311-S315 PolarHBondContact O-OG 2.86Å; W311-V323 HydrophobicContact CB-CG2 4.41Å; W311-V323 HydrophobicContact CD2-CG1 4.24Å; W311-V323 HydrophobicContact CE3-CG1 3.83Å; W311-V323 HydrophobicContact CZ3-CG1 4.19Å; W311-A325 HydrophobicContact CH2-CB 3.6Å; W311-A325 HydrophobicContact CZ3-CB 3.64Å; W311-F340 HydrophobicContact CZ3-CD2 4.17Å; W311-F340 HydrophobicContact CZ3-CE2 4.2Å
312	W	98.8	Very high	97.9	Very high	9 Å²	9	32 Å²	32	3%	0.034	15%	0.151	C	C	.	.	H	α-helix	trans	-59.9	-52.5	175	170.4	81.4	0	0	0	110.9	L173 L308 L309 Q314 S315 F316 I345 W356 P358 C361 M362	L173-W312 HydrophobicContact CD2-CH2 4.19Å; L173-W312 HydrophobicContact CD2-CZ3 4.01Å; L308-W312 VanDerWaalsContact O-CB 3.23Å; L308-W312 WeakPolarHBondContact O-CB 3.37Å; L308-W312 PolarHBondContact O-N 3.02Å; L309-W312 HydrophobicContact CD1-CE3 4.37Å; L309-W312 PolarHBondContact O-N 3.48Å; W312-Q314 VanDerWaalsContact C-N 3.31Å; W312-Q314 PolarHBondContact O-N 3.06Å; W312-S315 PolarHBondContact O-N 3.25Å; W312-F316 HydrophobicContact CD2-CB 4.38Å; W312-F316 AromaticContact CE2-CG 3.87Å; W312-F316 HydrophobicContact CH2-CD1 4.37Å; W312-F316 HydrophobicContact CZ2-CB 4.27Å; W312-F316 AromaticContact CZ2-CD1 3.83Å; W312-F316 HydrophobicContact CZ2-CD1 3.83Å; W312-F316 HydrophobicContact CZ2-CD2 4.2Å; W312-F316 HydrophobicContact CZ2-CE1 4.24Å; W312-F316 AromaticContact CZ2-CG 3.81Å; W312-F316 HydrophobicContact CZ2-CG 3.81Å; W312-F316 AromaticContact NE1-CD2 3.76Å; W312-F316 AromaticContact NE1-CG 3.85Å; W312-F316 WeakPolarHBondContact O-CA 3.42Å; W312-F316 WeakPolarHBondContact O-CB 3.27Å; W312-F316 PolarHBondContact O-N 3.18Å; W312-I345 HydrophobicContact CB-CD1 3.9Å; W312-I345 HydrophobicContact CB-CG2 4.21Å; W312-I345 HydrophobicContact CG-CG2 4.42Å; W312-W356 HydrophobicContact CB-CH2 3.5Å; W312-W356 VanDerWaalsContact CB-CH2 3.5Å; W312-W356 HydrophobicContact CB-CZ2 4.27Å; W312-W356 HydrophobicContact CB-CZ3 4.2Å; W312-W356 AromaticContact CD2-CH2 3.77Å; W312-W356 HydrophobicContact CD2-CH2 3.77Å; W312-W356 AromaticContact CD2-CZ3 3.55Å; W312-W356 HydrophobicContact CD2-CZ3 3.55Å; W312-W356 HydrophobicContact CE3-CE3 4.28Å; W312-W356 AromaticContact CE3-CH2 3.99Å; W312-W356 HydrophobicContact CE3-CH2 3.99Å; W312-W356 AromaticContact CE3-CZ3 3.44Å; W312-W356 HydrophobicContact CE3-CZ3 3.44Å; W312-W356 VanDerWaalsContact CE3-CZ3 3.44Å; W312-W356 AromaticContact CG-CH2 3.54Å; W312-W356 HydrophobicContact CG-CH2 3.54Å; W312-W356 AromaticContact CG-CZ3 3.87Å; W312-W356 HydrophobicContact CG-CZ3 3.87Å; W312-W356 HydrophobicContact CZ3-CZ3 4.11Å; W312-P358 HydrophobicContact CH2-CB 3.85Å; W312-P358 HydrophobicContact CZ2-CB 3.58Å; W312-P358 HydrophobicContact CZ2-CG 4.26Å; W312-C361 HydrophobicContact CH2-CB 4Å; W312-C361 HydrophobicContact CZ3-CB 3.68Å; W312-M362 HydrophobicContact CH2-CG 4.07Å; W312-M362 HydrophobicContact CH2-SD 4.22Å
313	A	98.7	Very high	98	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.5	-39.9	-178.2	0	0	0	0	0	111.8	T170 L173 T174 L309 K310 L317	T170-A313 HydrophobicContact CG2-CB 3.93Å; L173-A313 HydrophobicContact CB-CB 3.93Å; L173-A313 HydrophobicContact CD2-CB 3.85Å; T174-A313 HydrophobicContact CG2-CB 4.05Å; L309-A313 WeakPolarHBondContact O-CB 3.5Å; L309-A313 PolarHBondContact O-N 2.78Å; K310-A313 PolarHBondContact O-N 2.8Å; A313-L317 VanDerWaalsContact O-CD1 3.27Å; A313-L317 WeakPolarHBondContact O-CD1 3.31Å; A313-L317 VanDerWaalsContact O-CG 3.27Å; A313-L317 WeakPolarHBondContact O-CG 3.34Å
314	Q	98.4	Very high	98.1	Very high	44 Å²	44	28.6 Å²	28.6	21%	0.206	13%	0.134	C	C	.	.	H	α-helix	trans	-64.1	-41	178.1	-175.5	173.9	17.6	0	0	112.7	R166 T170 E287 K289 K310 W311 W312 P318	R166-Q314 WeakPolarHBondContact CD-O 3.45Å; R166-Q314 VanDerWaalsContact NH1-CG 3.33Å; R166-Q314 PolarHBondContact NH1-O 3.3Å; T170-Q314 HydrophobicContact CG2-CB 4.37Å; E287-Q314 PolarHBondContact OE1-NE2 3.28Å; E287-Q314 PolarHBondContact OE1-OE1 2.95Å; K289-Q314 VanDerWaalsContact NZ-OE1 3.11Å; K310-Q314 VanDerWaalsContact O-CB 3.23Å; K310-Q314 WeakPolarHBondContact O-CB 3.37Å; K310-Q314 PolarHBondContact O-N 3.07Å; W311-Q314 PolarHBondContact O-N 3.19Å; W312-Q314 VanDerWaalsContact C-N 3.31Å; W312-Q314 PolarHBondContact O-N 3.06Å; Q314-P318 WeakPolarHBondContact O-CD 3.45Å; Q314-P318 WeakPolarHBondContact O-CG 3.24Å
315	S	98.8	Very high	98.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-92.2	-33.6	-173.2	-52.9	0	0	0	0	113	W311 W312 L317 P318 G319 V320 V323	W311-S315 WeakPolarHBondContact O-CB 3.14Å; W311-S315 PolarHBondContact O-N 3.01Å; W311-S315 PolarHBondContact O-OG 2.86Å; W312-S315 PolarHBondContact O-N 3.25Å; S315-L317 PolarHBondContact O-N 3.35Å; S315-P318 WeakPolarHBondContact O-CD 3.48Å; S315-G319 PolarHBondContact O-N 3.25Å; S315-V320 PolarHBondContact O-N 3.49Å; S315-V323 VanDerWaalsContact OG-CG2 3.29Å; S315-V323 WeakPolarHBondContact OG-CG2 3.23Å
316	F	98.7	Very high	98.3	Very high	48 Å²	48	24.3 Å²	24.3	21%	0.211	12%	0.116	C	C	.	.	H	α-helix	trans	-62.6	-42	179.4	179.3	-96.8	0	0	0	112.1	F72 Y75 W312 G319 I342 M362	F72-F316 HydrophobicContact CE1-CZ 4.22Å; F72-F316 AromaticContact CZ-CE1 3.95Å; F72-F316 HydrophobicContact CZ-CE1 3.95Å; F72-F316 AromaticContact CZ-CZ 3.59Å; F72-F316 HydrophobicContact CZ-CZ 3.59Å; Y75-F316 HydrophobicContact CD1-CD1 4.42Å; Y75-F316 AromaticContact CD1-CE1 3.51Å; Y75-F316 HydrophobicContact CD1-CE1 3.51Å; Y75-F316 AromaticContact CD1-CZ 3.75Å; Y75-F316 HydrophobicContact CD1-CZ 3.75Å; Y75-F316 HydrophobicContact CE1-CD1 4.26Å; Y75-F316 AromaticContact CE1-CE1 3.76Å; Y75-F316 HydrophobicContact CE1-CE1 3.76Å; Y75-F316 HydrophobicContact CE1-CZ 4.31Å; Y75-F316 HydrophobicContact CG-CE1 4.24Å; W312-F316 HydrophobicContact CD2-CB 4.38Å; W312-F316 AromaticContact CE2-CG 3.87Å; W312-F316 HydrophobicContact CH2-CD1 4.37Å; W312-F316 HydrophobicContact CZ2-CB 4.27Å; W312-F316 AromaticContact CZ2-CD1 3.83Å; W312-F316 HydrophobicContact CZ2-CD1 3.83Å; W312-F316 HydrophobicContact CZ2-CD2 4.2Å; W312-F316 HydrophobicContact CZ2-CE1 4.24Å; W312-F316 AromaticContact CZ2-CG 3.81Å; W312-F316 HydrophobicContact CZ2-CG 3.81Å; W312-F316 AromaticContact NE1-CD2 3.76Å; W312-F316 AromaticContact NE1-CG 3.85Å; W312-F316 WeakPolarHBondContact O-CA 3.42Å; W312-F316 WeakPolarHBondContact O-CB 3.27Å; W312-F316 PolarHBondContact O-N 3.18Å; F316-G319 PolarHBondContact O-N 3.07Å; F316-I342 HydrophobicContact CB-CG2 4.01Å; F316-I342 HydrophobicContact CD2-CG2 4.15Å; F316-M362 HydrophobicContact CD1-SD 4.13Å; F316-M362 HydrophobicContact CE1-CE 3.92Å; F316-M362 HydrophobicContact CE1-CG 4.47Å; F316-M362 HydrophobicContact CE1-SD 3.83Å
317	L	98.7	Very high	98.5	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-58.9	-179.5	-74.9	168.2	0	0	0	112.9	Y75 P78 R166 L169 L173 F265 A313 S315 G319	Y75-L317 WeakPolarHBondContact OH-CA 3.37Å; Y75-L317 PolarHBondContact OH-O 3.02Å; P78-L317 WeakPolarHBondContact CG-O 3.33Å; R166-L317 HydrophobicContact CG-CB 4.24Å; R166-L317 HydrophobicContact CG-CD1 4.36Å; L169-L317 HydrophobicContact CB-CD1 3.59Å; L169-L317 HydrophobicContact CB-CD2 4.27Å; L169-L317 HydrophobicContact CD1-CD2 4.47Å; L173-L317 HydrophobicContact CD1-CD1 4.36Å; L173-L317 HydrophobicContact CD1-CD2 3.99Å; L173-L317 HydrophobicContact CD2-CD1 4.1Å; L173-L317 HydrophobicContact CD2-CD2 3.96Å; L173-L317 HydrophobicContact CD2-CG 3.87Å; F265-L317 HydrophobicContact CE2-CB 4.45Å; F265-L317 HydrophobicContact CZ-CB 4.3Å; F265-L317 WeakPolarHBondContact CZ-O 3.35Å; A313-L317 VanDerWaalsContact O-CD1 3.27Å; A313-L317 WeakPolarHBondContact O-CD1 3.31Å; A313-L317 VanDerWaalsContact O-CG 3.27Å; A313-L317 WeakPolarHBondContact O-CG 3.34Å; S315-L317 PolarHBondContact O-N 3.35Å; L317-G319 PolarHBondContact O-N 3.34Å
318	P	98.4	Very high	98.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-6.1	179.1	31.5	-37.7	0	0	0	113.7	R166 V254 F265 P282 Q314 S315 V320	R166-P318 HydrophobicContact CG-CG 4.42Å; V254-P318 HydrophobicContact CG2-CB 4.33Å; F265-P318 HydrophobicContact CE2-CB 4.26Å; P282-P318 WeakPolarHBondContact CB-O 3.3Å; P282-P318 WeakPolarHBondContact CG-O 3.5Å; Q314-P318 WeakPolarHBondContact O-CD 3.45Å; Q314-P318 WeakPolarHBondContact O-CG 3.24Å; S315-P318 WeakPolarHBondContact O-CD 3.48Å; P318-V320 HydrophobicContact CB-CG2 4.33Å; P318-V320 HydrophobicContact CG-CB 4.49Å; P318-V320 HydrophobicContact CG-CG2 3.79Å
319	G	98.3	Very high	98.4	Very high	24 Å²	24	19.5 Å²	19.5	25%	0.247	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	24.6	-177.1	0	0	0	0	0	114.3	S315 F316 L317 P321	S315-G319 PolarHBondContact O-N 3.25Å; F316-G319 PolarHBondContact O-N 3.07Å; L317-G319 PolarHBondContact O-N 3.34Å; G319-P321 WeakPolarHBondContact O-CD 3.01Å
320	V	98.6	Very high	98.1	Very high	1 Å²	1	27 Å²	27	1%	0.006	13%	0.131	C	C	.	.			trans	-72.2	119.8	172.8	175.9	0	0	0	0	108.1	E287 S315 P318 R322 I342	E287-V320 HydrophobicContact CB-CG1 4.16Å; S315-V320 PolarHBondContact O-N 3.49Å; P318-V320 HydrophobicContact CB-CG2 4.33Å; P318-V320 HydrophobicContact CG-CB 4.49Å; P318-V320 HydrophobicContact CG-CG2 3.79Å; V320-R322 PolarHBondContact O-N 2.95Å; V320-I342 VanDerWaalsContact O-CG1 3.27Å; V320-I342 WeakPolarHBondContact O-CG1 3.1Å
321	P	98.3	Very high	98	Very high	43 Å²	43	28 Å²	28	28%	0.279	14%	0.141	S	C	.	.			trans	-78.1	-22.5	-166.9	30.1	-38.5	0	0	0	114.5	A283 Y285 G319 I342	A283-P321 WeakPolarHBondContact O-CG 3.38Å; Y285-P321 WeakPolarHBondContact O-CD 3.43Å; G319-P321 WeakPolarHBondContact O-CD 3.01Å; P321-I342 WeakPolarHBondContact O-CB 3.29Å; P321-I342 WeakPolarHBondContact O-CG1 3.34Å; P321-I342 PolarHBondContact O-N 2.97Å
322	R	98.3	Very high	97.8	Very high	51 Å²	51	27.3 Å²	27.3	19%	0.192	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	148	-173.8	71.1	-171.2	-164.5	-159.6	7.1	113.8	D273 V286 E287 V320 T339 F340	D273-R322 IonicContact OD1-CZ 3.69Å; D273-R322 VanDerWaalsContact OD1-CZ 3.3Å; D273-R322 IonicContact OD1-NH1 3.92Å; D273-R322 IonicContact OD1-NH2 2.73Å; D273-R322 PolarHBondContact OD1-NH2 3.14Å; D273-R322 IonicContact OD2-CZ 2.79Å; D273-R322 IonicContact OD2-NH1 3.35Å; D273-R322 IonicContact OD2-NH2 3.51Å; V286-R322 HydrophobicContact CG1-CG 4.28Å; V286-R322 HydrophobicContact CG2-CG 4.38Å; E287-R322 PolarHBondContact N-O 2.93Å; E287-R322 VanDerWaalsContact N-O 3.15Å; V320-R322 PolarHBondContact O-N 2.95Å; R322-T339 HydrophobicContact CB-CG2 4.02Å; R322-T339 HydrophobicContact CG-CG2 4.4Å; R322-F340 WeakPolarHBondContact CA-O 3.38Å
323	V	98.8	Very high	97.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.8	170.1	174.2	0	0	0	0	108.2	E287 K289 W311 S315 F340 I342	E287-V323 HydrophobicContact CB-CG2 3.91Å; E287-V323 HydrophobicContact CG-CG2 4.16Å; E287-V323 CarbonylContact O-C 3.56Å; E287-V323 VanDerWaalsContact O-CA 3.23Å; E287-V323 WeakPolarHBondContact O-CA 3.42Å; K289-V323 HydrophobicContact CB-CG1 4.03Å; K289-V323 HydrophobicContact CG-CG1 3.61Å; W311-V323 HydrophobicContact CB-CG2 4.41Å; W311-V323 HydrophobicContact CD2-CG1 4.24Å; W311-V323 HydrophobicContact CE3-CG1 3.83Å; W311-V323 HydrophobicContact CZ3-CG1 4.19Å; S315-V323 VanDerWaalsContact OG-CG2 3.29Å; S315-V323 WeakPolarHBondContact OG-CG2 3.23Å; V323-F340 HydrophobicContact CB-CB 4.46Å; V323-F340 PolarHBondContact N-O 3.26Å; V323-F340 PolarHBondContact O-N 3.37Å; V323-I342 HydrophobicContact CG2-CD1 3.78Å
324	V	98.7	Very high	97.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	120.1	171.9	-178.5	0	0	0	0	108.4	Y102 M229 V286 E287 L288 K289 V337 T339	Y102-V324 HydrophobicContact CE2-CB 4.26Å; Y102-V324 HydrophobicContact CE2-CG1 4.16Å; Y102-V324 HydrophobicContact CE2-CG2 3.9Å; M229-V324 HydrophobicContact CE-CG1 3.78Å; V286-V324 HydrophobicContact CG1-CB 4.3Å; V286-V324 HydrophobicContact CG1-CG2 3.59Å; E287-V324 PolarHBondContact O-N 2.97Å; L288-V324 WeakPolarHBondContact CA-O 3.34Å; L288-V324 HydrophobicContact CD2-CB 3.86Å; L288-V324 HydrophobicContact CD2-CG1 4.47Å; K289-V324 PolarHBondContact N-O 3.4Å; V324-V337 HydrophobicContact CG1-CG1 3.36Å; V324-T339 HydrophobicContact CG2-CG2 4.35Å
325	A	98.6	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	119.8	-172.7	0	0	0	0	0	111.6	K289 W311 F327 V337 E338 F340	K289-A325 CarbonylContact O-C 3.59Å; K289-A325 VanDerWaalsContact O-CA 3.24Å; K289-A325 WeakPolarHBondContact O-CA 3.49Å; W311-A325 HydrophobicContact CH2-CB 3.6Å; W311-A325 HydrophobicContact CZ3-CB 3.64Å; A325-F327 HydrophobicContact CB-CE2 4.41Å; A325-F327 HydrophobicContact CB-CZ 4.47Å; A325-V337 WeakPolarHBondContact O-CA 3.42Å; A325-E338 PolarHBondContact N-O 3.17Å; A325-E338 PolarHBondContact O-N 2.71Å; A325-F340 HydrophobicContact CB-CD2 4.11Å; A325-F340 HydrophobicContact CB-CE2 3.85Å
326	G	98.6	Very high	97.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	114.2	165.2	0	0	0	0	0	111.1	F225 K289 T290 S291	F225-G326 VanDerWaalsContact CZ-N 3.35Å; K289-G326 PolarHBondContact O-N 2.99Å; T290-G326 CarbonylContact C-O 3.59Å; T290-G326 VanDerWaalsContact CA-O 3.25Å; T290-G326 WeakPolarHBondContact CA-O 3.27Å; S291-G326 PolarHBondContact N-O 2.91Å
327	F	98.4	Very high	97.6	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.035	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.2	171.6	-69.1	-71.6	0	0	0	110.1	S291 A292 I294 F303 A325 V335 S336 E338 F340	S291-F327 CarbonylContact O-C 3.57Å; S291-F327 VanDerWaalsContact O-CA 3.29Å; S291-F327 WeakPolarHBondContact O-CA 3.35Å; A292-F327 WeakPolarHBondContact O-CD1 3.31Å; I294-F327 HydrophobicContact CD1-CD1 4.5Å; I294-F327 HydrophobicContact CD1-CE1 3.66Å; I294-F327 HydrophobicContact CD1-CZ 4.08Å; I294-F327 HydrophobicContact CG1-CD1 4.38Å; I294-F327 HydrophobicContact CG1-CE1 4Å; F303-F327 HydrophobicContact CE2-CE1 4.43Å; F303-F327 HydrophobicContact CZ-CZ 4.44Å; A325-F327 HydrophobicContact CB-CE2 4.41Å; A325-F327 HydrophobicContact CB-CZ 4.47Å; F327-V335 WeakPolarHBondContact O-CG2 3.26Å; F327-V335 PolarHBondContact O-N 3.21Å; F327-S336 WeakPolarHBondContact CB-OG 3.05Å; F327-S336 PolarHBondContact N-O 3.46Å; F327-S336 PolarHBondContact O-N 3.07Å; F327-E338 HydrophobicContact CD2-CB 4.3Å; F327-E338 HydrophobicContact CE2-CB 3.7Å; F327-E338 WeakPolarHBondContact CE2-OE2 3.19Å; F327-F340 HydrophobicContact CE2-CE2 4.27Å; F327-F340 HydrophobicContact CE2-CZ 4.4Å; F327-F340 HydrophobicContact CZ-CE2 4.09Å; F327-F340 HydrophobicContact CZ-CZ 4.06Å
328	R	97.7	Very high	97.6	Very high	25 Å²	25	32.2 Å²	32.2	9%	0.094	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	152.6	-175.6	72.4	-172.5	176.8	-84.6	12.2	112.9	L113 W221 T290 S291 A292 E293 T333 V334	L113-R328 HydrophobicContact CD1-CB 4.33Å; W221-R328 VanDerWaalsContact CE3-CD 3.49Å; T290-R328 VanDerWaalsContact C-NH1 3.29Å; T290-R328 VanDerWaalsContact CB-NH1 3.3Å; T290-R328 PolarHBondContact OG1-NH1 3.44Å; S291-R328 PolarHBondContact O-N 3.39Å; S291-R328 PolarHBondContact O-NH1 3.06Å; A292-R328 CarbonylContact C-O 3.54Å; A292-R328 WeakPolarHBondContact CA-O 3.21Å; E293-R328 PolarHBondContact N-O 2.94Å; R328-T333 CarbonylContact C-O 3.35Å; R328-T333 WeakPolarHBondContact CA-O 3.46Å; R328-T333 VanDerWaalsContact CB-O 3.26Å; R328-T333 WeakPolarHBondContact CB-O 2.97Å; R328-V334 HydrophobicContact CB-CG2 4.42Å
329	D	96.3	Very high	97.6	Very high	48 Å²	48	34.8 Å²	34.8	26%	0.257	19%	0.187	S	C	.	.			trans	-74.9	-173.5	169.9	66.7	19.2	0	0	0	112.4	D331 G332 T333 V335	D329-D331 VanDerWaalsContact C-N 3.29Å; D329-D331 WeakPolarHBondContact OD1-CA 3.23Å; D329-D331 PolarHBondContact OD1-N 3.3Å; D329-G332 PolarHBondContact OD1-N 3.37Å; D329-T333 PolarHBondContact N-O 3.36Å; D329-T333 PolarHBondContact OD1-N 3.19Å; D329-T333 WeakPolarHBondContact OD2-CB 3.38Å; D329-V335 HydrophobicContact CB-CG1 4.38Å
330	H	92.9	Very high	97.6	Very high	163 Å²	163	34 Å²	34	76%	0.755	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-23.8	177.6	-78.6	-66.2	0	0	0	113.7	R214 G332	R214-H330 PolarHBondContact NH2-O 3.25Å; H330-G332 VanDerWaalsContact C-N 3.31Å
331	D	94.6	Very high	97.5	Very high	108 Å²	108	37 Å²	37	58%	0.578	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-6.9	-178.8	-67.9	-43.1	0	0	0	112.6	R114 D329	R114-D331 WeakPolarHBondContact CD-O 3.27Å; D329-D331 VanDerWaalsContact C-N 3.29Å; D329-D331 WeakPolarHBondContact OD1-CA 3.23Å; D329-D331 PolarHBondContact OD1-N 3.3Å
332	G	95.8	Very high	97.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	95.1	12.9	176.1	0	0	0	0	0	113.5	L113 D329 H330	L113-G332 WeakPolarHBondContact CB-O 3.5Å; L113-G332 WeakPolarHBondContact CG-O 3.49Å; L113-G332 PolarHBondContact N-O 3.43Å; D329-G332 PolarHBondContact OD1-N 3.37Å; H330-G332 VanDerWaalsContact C-N 3.31Å
333	T	98.2	Very high	97.5	Very high	36 Å²	36	37.5 Å²	37.5	22%	0.221	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128.5	177.8	-50.1	0	0	0	0	110.3	N110 F111 R328 D329 V335	N110-T333 HydrophobicContact CB-CG2 4.24Å; F111-T333 CarbonylContact O-C 3.57Å; F111-T333 VanDerWaalsContact O-CA 3.3Å; F111-T333 WeakPolarHBondContact O-CA 3.4Å; R328-T333 CarbonylContact C-O 3.35Å; R328-T333 WeakPolarHBondContact CA-O 3.46Å; R328-T333 VanDerWaalsContact CB-O 3.26Å; R328-T333 WeakPolarHBondContact CB-O 2.97Å; D329-T333 PolarHBondContact N-O 3.36Å; D329-T333 PolarHBondContact OD1-N 3.19Å; D329-T333 WeakPolarHBondContact OD2-CB 3.38Å; T333-V335 PolarHBondContact O-N 2.71Å
334	V	98.5	Very high	97.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	108.2	172.9	-177.6	0	0	0	0	109.8	P109 N110 F111 L113 F225 R328 S336 V337	P109-V334 HydrophobicContact CG-CG1 4.1Å; N110-V334 VanDerWaalsContact CA-O 3.23Å; N110-V334 WeakPolarHBondContact CA-O 3.46Å; N110-V334 PolarHBondContact N-O 2.79Å; F111-V334 HydrophobicContact CB-CB 4.03Å; F111-V334 HydrophobicContact CB-CG2 4.14Å; F111-V334 HydrophobicContact CD2-CB 4.3Å; F111-V334 PolarHBondContact N-O 3.13Å; F111-V334 PolarHBondContact O-N 3.34Å; L113-V334 HydrophobicContact CD1-CG2 3.68Å; L113-V334 HydrophobicContact CD2-CG2 3.79Å; L113-V334 HydrophobicContact CG-CG2 3.77Å; F225-V334 HydrophobicContact CD2-CG2 3.99Å; F225-V334 HydrophobicContact CE2-CG1 4.29Å; F225-V334 HydrophobicContact CE2-CG2 4.32Å; R328-V334 HydrophobicContact CB-CG2 4.42Å; V334-S336 WeakPolarHBondContact CG1-O 3.47Å; V334-V337 HydrophobicContact CG1-CG2 4.04Å
335	V	97.4	Very high	97.3	Very high	31 Å²	31	43.1 Å²	43.1	19%	0.188	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-21.1	-176.9	-63.2	0	0	0	0	113	S108 E293 F327 D329 T333	S108-V335 WeakPolarHBondContact CA-O 3.43Å; S108-V335 VanDerWaalsContact CB-O 3.3Å; S108-V335 WeakPolarHBondContact CB-O 3.34Å; S108-V335 PolarHBondContact OG-O 3.22Å; E293-V335 HydrophobicContact CG-CG2 4.34Å; F327-V335 WeakPolarHBondContact O-CG2 3.26Å; F327-V335 PolarHBondContact O-N 3.21Å; D329-V335 HydrophobicContact CB-CG1 4.38Å; T333-V335 PolarHBondContact O-N 2.71Å
336	S	97.6	Very high	97.1	Very high	31 Å²	31	45.8 Å²	45.8	22%	0.217	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	155.1	172.7	59.6	0	0	0	0	113.5	R107 F327 V334	R107-S336 CarbonylContact O-C 3.57Å; R107-S336 VanDerWaalsContact O-CA 3.26Å; R107-S336 WeakPolarHBondContact O-CA 3.49Å; F327-S336 WeakPolarHBondContact CB-OG 3.05Å; F327-S336 PolarHBondContact N-O 3.46Å; F327-S336 PolarHBondContact O-N 3.07Å; V334-S336 WeakPolarHBondContact CG1-O 3.47Å
337	V	98.1	Very high	96.9	Very high	21 Å²	21	52.6 Å²	52.6	13%	0.127	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137	174.4	-179.7	0	0	0	0	110.2	P105 R107 P109 F225 M229 V324 A325 V334	P105-V337 HydrophobicContact CG-CB 4.32Å; P105-V337 HydrophobicContact CG-CG1 4.28Å; P105-V337 HydrophobicContact CG-CG2 3.99Å; R107-V337 PolarHBondContact O-N 3.05Å; P109-V337 HydrophobicContact CG-CG2 3.93Å; F225-V337 HydrophobicContact CE2-CG2 4.48Å; M229-V337 HydrophobicContact CE-CG1 4.42Å; V324-V337 HydrophobicContact CG1-CG1 3.36Å; A325-V337 WeakPolarHBondContact O-CA 3.42Å; V334-V337 HydrophobicContact CG1-CG2 4.04Å
338	E	97.1	Very high	96.6	Very high	86 Å²	86	56.2 Å²	56.2	40%	0.402	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.3	177.9	-168.6	177.3	163.7	0	0	111.2	A325 F327 F340	A325-E338 PolarHBondContact N-O 3.17Å; A325-E338 PolarHBondContact O-N 2.71Å; F327-E338 HydrophobicContact CD2-CB 4.3Å; F327-E338 HydrophobicContact CE2-CB 3.7Å; F327-E338 WeakPolarHBondContact CE2-OE2 3.19Å; E338-F340 HydrophobicContact CB-CE2 4.01Å; E338-F340 HydrophobicContact CB-CZ 4.4Å; E338-F340 VanDerWaalsContact CD-CZ 3.47Å; E338-F340 HydrophobicContact CG-CE2 4Å; E338-F340 HydrophobicContact CG-CZ 4.03Å
339	T	98	Very high	96.5	Very high	55 Å²	55	55.5 Å²	55.5	34%	0.337	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.8	176.5	-63.4	0	0	0	0	111.4	R322 V324	R322-T339 HydrophobicContact CB-CG2 4.02Å; R322-T339 HydrophobicContact CG-CG2 4.4Å; V324-T339 HydrophobicContact CG2-CG2 4.35Å
340	F	98.3	Very high	96.3	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.035	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	112.3	174.1	-64.2	-88.5	0	0	0	110.3	F303 L308 W311 R322 V323 A325 F327 E338 I342 L348	F303-F340 AromaticContact CE1-CE1 3.97Å; F303-F340 HydrophobicContact CE1-CE1 3.97Å; F303-F340 AromaticContact CE1-CZ 3.84Å; F303-F340 HydrophobicContact CE1-CZ 3.84Å; F303-F340 HydrophobicContact CZ-CE1 4.31Å; F303-F340 HydrophobicContact CZ-CE2 4.16Å; F303-F340 AromaticContact CZ-CZ 3.88Å; F303-F340 HydrophobicContact CZ-CZ 3.88Å; L308-F340 HydrophobicContact CD1-CD1 4.22Å; L308-F340 HydrophobicContact CD1-CG 4.44Å; W311-F340 HydrophobicContact CZ3-CD2 4.17Å; W311-F340 HydrophobicContact CZ3-CE2 4.2Å; R322-F340 WeakPolarHBondContact CA-O 3.38Å; V323-F340 HydrophobicContact CB-CB 4.46Å; V323-F340 PolarHBondContact N-O 3.26Å; V323-F340 PolarHBondContact O-N 3.37Å; A325-F340 HydrophobicContact CB-CD2 4.11Å; A325-F340 HydrophobicContact CB-CE2 3.85Å; F327-F340 HydrophobicContact CE2-CE2 4.27Å; F327-F340 HydrophobicContact CE2-CZ 4.4Å; F327-F340 HydrophobicContact CZ-CE2 4.09Å; F327-F340 HydrophobicContact CZ-CZ 4.06Å; E338-F340 HydrophobicContact CB-CE2 4.01Å; E338-F340 HydrophobicContact CB-CZ 4.4Å; E338-F340 VanDerWaalsContact CD-CZ 3.47Å; E338-F340 HydrophobicContact CG-CE2 4Å; E338-F340 HydrophobicContact CG-CZ 4.03Å; F340-I342 PolarHBondContact O-N 2.97Å; F340-L348 HydrophobicContact CD1-CD1 4.06Å
341	Q	98.4	Very high	96.1	Very high	64 Å²	64	60.8 Å²	60.8	30%	0.299	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.9	172.4	-63.6	-65.9	-31.4	0	0	109.7	S343 K344 I345	Q341-S343 VanDerWaalsContact C-N 3.25Å; Q341-S343 PolarHBondContact O-N 2.89Å; Q341-K344 HydrophobicContact CB-CB 4.19Å; Q341-K344 HydrophobicContact CB-CD 4Å; Q341-K344 HydrophobicContact CB-CG 3.96Å; Q341-K344 HydrophobicContact CG-CD 4.36Å; Q341-K344 PolarHBondContact O-N 3.06Å; Q341-I345 PolarHBondContact O-N 3.03Å
342	I	98.3	Very high	96	Very high	11 Å²	11	57.9 Å²	57.9	6%	0.056	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-59.1	-38.8	-175.1	-64.2	-51	0	0	0	111.6	F316 V320 P321 V323 F340 K344 I345	F316-I342 HydrophobicContact CB-CG2 4.01Å; F316-I342 HydrophobicContact CD2-CG2 4.15Å; V320-I342 VanDerWaalsContact O-CG1 3.27Å; V320-I342 WeakPolarHBondContact O-CG1 3.1Å; P321-I342 WeakPolarHBondContact O-CB 3.29Å; P321-I342 WeakPolarHBondContact O-CG1 3.34Å; P321-I342 PolarHBondContact O-N 2.97Å; V323-I342 HydrophobicContact CG2-CD1 3.78Å; F340-I342 PolarHBondContact O-N 2.97Å; I342-K344 PolarHBondContact O-N 3.36Å; I342-I345 HydrophobicContact CD1-CD1 3.58Å; I342-I345 PolarHBondContact O-N 3.14Å
343	S	96.7	Very high	95.7	Very high	92 Å²	92	66.4 Å²	66.4	64%	0.643	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-62.8	-22.3	176.7	58.7	0	0	0	0	114	Q341	Q341-S343 VanDerWaalsContact C-N 3.25Å; Q341-S343 PolarHBondContact O-N 2.89Å
344	K	97.4	Very high	95.3	Very high	118 Å²	118	69.4 Å²	69.4	51%	0.513	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-97.2	-11	-178.7	-60.5	-175.1	-177.6	176.6	0	113.4	Q341 I342 S346 Q347 L348	Q341-K344 HydrophobicContact CB-CB 4.19Å; Q341-K344 HydrophobicContact CB-CD 4Å; Q341-K344 HydrophobicContact CB-CG 3.96Å; Q341-K344 HydrophobicContact CG-CD 4.36Å; Q341-K344 PolarHBondContact O-N 3.06Å; I342-K344 PolarHBondContact O-N 3.36Å; K344-S346 VanDerWaalsContact C-N 3.31Å; K344-S346 PolarHBondContact O-N 3.35Å; K344-Q347 WeakPolarHBondContact O-CB 3.45Å; K344-Q347 PolarHBondContact O-N 2.94Å; K344-L348 PolarHBondContact O-N 2.97Å
345	I	97	Very high	95.1	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-59.1	-40.7	-175.7	-71.1	177.9	0	0	0	112.2	L308 W312 Q341 I342 Q347 L348 I349 W356	L308-I345 HydrophobicContact CD1-CD1 3.81Å; L308-I345 HydrophobicContact CD1-CG1 4.23Å; L308-I345 HydrophobicContact CD2-CG1 4.47Å; L308-I345 HydrophobicContact CD2-CG2 3.86Å; L308-I345 HydrophobicContact CG-CD1 4.18Å; L308-I345 HydrophobicContact CG-CG1 4.38Å; L308-I345 HydrophobicContact CG-CG2 3.85Å; W312-I345 HydrophobicContact CB-CD1 3.9Å; W312-I345 HydrophobicContact CB-CG2 4.21Å; W312-I345 HydrophobicContact CG-CG2 4.42Å; Q341-I345 PolarHBondContact O-N 3.03Å; I342-I345 HydrophobicContact CD1-CD1 3.58Å; I342-I345 PolarHBondContact O-N 3.14Å; I345-Q347 PolarHBondContact O-N 3.4Å; I345-L348 WeakPolarHBondContact O-CB 3.46Å; I345-L348 PolarHBondContact O-N 2.8Å; I345-L348 VanDerWaalsContact O-N 3.1Å; I345-I349 HydrophobicContact CG2-CG2 4.45Å; I345-I349 WeakPolarHBondContact O-CG1 3.34Å; I345-I349 PolarHBondContact O-N 2.51Å; I345-I349 VanDerWaalsContact O-N 3.08Å; I345-W356 HydrophobicContact CG2-CH2 3.52Å; I345-W356 HydrophobicContact CG2-CZ2 3.71Å
346	S	93.3	Very high	95.1	Very high	57 Å²	57	69.2 Å²	69.2	40%	0.399	35%	0.35	S	S	.	.	H	α-helix	trans	-59.8	-33.2	178	60	0	0	0	0	112.6	K344 K350	K344-S346 VanDerWaalsContact C-N 3.31Å; K344-S346 PolarHBondContact O-N 3.35Å; S346-K350 PolarHBondContact O-N 2.73Å
347	Q	94.3	Very high	95.1	Very high	142 Å²	142	71.7 Å²	71.7	66%	0.664	36%	0.357	S	S	*	.	H	α-helix	trans	-74.8	-40.5	175.5	-61.5	178.1	-7.9	0	0	111.2	K344 I345 I349 K350	K344-Q347 WeakPolarHBondContact O-CB 3.45Å; K344-Q347 PolarHBondContact O-N 2.94Å; I345-Q347 PolarHBondContact O-N 3.4Å; Q347-I349 VanDerWaalsContact C-N 3.29Å; Q347-I349 PolarHBondContact O-N 2.85Å; Q347-K350 WeakPolarHBondContact O-CB 3.49Å; Q347-K350 PolarHBondContact O-N 3.18Å
348	L	93.4	Very high	95	Very high	85 Å²	85	71.8 Å²	71.8	45%	0.445	36%	0.358	S	S	.	.	H	α-helix	trans	-59.2	-39.4	178.1	-68.9	174.7	0	0	0	112.3	F340 K344 I345	F340-L348 HydrophobicContact CD1-CD1 4.06Å; K344-L348 PolarHBondContact O-N 2.97Å; I345-L348 WeakPolarHBondContact O-CB 3.46Å; I345-L348 PolarHBondContact O-N 2.8Å; I345-L348 VanDerWaalsContact O-N 3.1Å
349	I	95.3	Very high	95.1	Very high	9 Å²	9	69.5 Å²	69.5	5%	0.046	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-2.4	-177.9	71.5	-178.6	0	0	0	113.8	H304 L308 I345 Q347 N351 E352 W356	H304-I349 HydrophobicContact CB-CG2 4.2Å; L308-I349 HydrophobicContact CD2-CG2 3.93Å; I345-I349 HydrophobicContact CG2-CG2 4.45Å; I345-I349 WeakPolarHBondContact O-CG1 3.34Å; I345-I349 PolarHBondContact O-N 2.51Å; I345-I349 VanDerWaalsContact O-N 3.08Å; Q347-I349 VanDerWaalsContact C-N 3.29Å; Q347-I349 PolarHBondContact O-N 2.85Å; I349-N351 VanDerWaalsContact C-N 3.26Å; I349-N351 PolarHBondContact O-N 3.41Å; I349-E352 VanDerWaalsContact O-CB 3.27Å; I349-E352 WeakPolarHBondContact O-CB 3.37Å; I349-E352 PolarHBondContact O-N 3.08Å; I349-W356 HydrophobicContact CD1-CD2 3.7Å; I349-W356 VanDerWaalsContact CD1-CE2 3.45Å; I349-W356 HydrophobicContact CD1-CE3 3.92Å; I349-W356 HydrophobicContact CD1-CG 4.44Å; I349-W356 HydrophobicContact CD1-CH2 3.71Å; I349-W356 HydrophobicContact CD1-CZ2 3.46Å; I349-W356 VanDerWaalsContact CD1-CZ2 3.46Å; I349-W356 HydrophobicContact CD1-CZ3 3.93Å; I349-W356 WeakPolarHBondContact CD1-O 3.43Å; I349-W356 HydrophobicContact CG2-CZ2 4.29Å
350	K	91.5	Very high	95.1	Very high	168 Å²	168	66.9 Å²	66.9	73%	0.73	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-38.6	-169.7	-175.6	-179.7	178.6	-177.7	0	113.5	S346 Q347	S346-K350 PolarHBondContact O-N 2.73Å; Q347-K350 WeakPolarHBondContact O-CB 3.49Å; Q347-K350 PolarHBondContact O-N 3.18Å
351	N	89	Confident	95.1	Very high	155 Å²	155	66.5 Å²	66.5	83%	0.829	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	5.1	-177.8	-60.8	-24.6	0	0	0	112.6	I349	I349-N351 VanDerWaalsContact C-N 3.26Å; I349-N351 PolarHBondContact O-N 3.41Å
352	E	93.3	Very high	95.1	Very high	46 Å²	46	63.5 Å²	63.5	22%	0.215	32%	0.318	C	S	.	.			trans	-78.9	122	179.6	-171.6	68.3	-127.7	0	0	109.8	S301 H304 R305 I349 C355	S301-E352 VanDerWaalsContact CB-OE1 3.22Å; S301-E352 WeakPolarHBondContact CB-OE1 3.43Å; S301-E352 PolarHBondContact OG-OE1 2.95Å; H304-E352 HydrophobicContact CB-CG 4.32Å; H304-E352 IonicContact CG-OE2 2.84Å; H304-E352 IonicContact ND1-OE2 2.96Å; H304-E352 PolarHBondContact ND1-OE2 3.15Å; R305-E352 HydrophobicContact CG-CG 3.74Å; I349-E352 VanDerWaalsContact O-CB 3.27Å; I349-E352 WeakPolarHBondContact O-CB 3.37Å; I349-E352 PolarHBondContact O-N 3.08Å; E352-C355 HydrophobicContact CB-CB 3.73Å; E352-C355 HydrophobicContact CG-CB 3.8Å; E352-C355 WeakPolarHBondContact O-CB 3.43Å
353	Y	89.5	Confident	95.1	Very high	179 Å²	179	63.1 Å²	63.1	70%	0.702	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	136.2	-178.3	-177.6	-106.9	0	0	0	111.6	C355	Y353-C355 PolarHBondContact O-N 3.25Å
354	N	87.9	Confident	95.2	Very high	100 Å²	100	58.7 Å²	58.7	54%	0.535	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	43.8	-177.7	-69.9	-16.6	0	0	0	113.2	R305	R305-N354 PolarHBondContact NE-O 2.71Å
355	C	94.8	Very high	95.3	Very high	19 Å²	19	53.2 Å²	53.2	13%	0.128	26%	0.262	C	S	.	.			trans	-93.4	169.4	176.2	-153.3	0	0	0	0	112.2	R305 E352 Y353	R305-C355 HydrophobicContact CG-CB 4.35Å; E352-C355 HydrophobicContact CB-CB 3.73Å; E352-C355 HydrophobicContact CG-CB 3.8Å; E352-C355 WeakPolarHBondContact O-CB 3.43Å; Y353-C355 PolarHBondContact O-N 3.25Å
356	W	97.3	Very high	95.4	Very high	7 Å²	7	53.6 Å²	53.6	3%	0.027	26%	0.264	C	S	.	.			trans	-77.7	154.8	177.7	56	-83.3	0	0	0	111.5	Y177 H304 R305 L308 L309 W312 I345 I349 P358	Y177-W356 HydrophobicContact CD1-CB 3.87Å; Y177-W356 HydrophobicContact CD2-CB 3.71Å; Y177-W356 HydrophobicContact CE1-CB 3.85Å; Y177-W356 HydrophobicContact CE2-CB 3.67Å; Y177-W356 HydrophobicContact CG-CB 3.82Å; Y177-W356 VanDerWaalsContact CZ-CA 3.47Å; H304-W356 PolarHBondContact O-NE1 3.47Å; R305-W356 VanDerWaalsContact O-CD1 3.24Å; L308-W356 HydrophobicContact CB-CZ2 4.45Å; L308-W356 HydrophobicContact CG-CZ2 4.45Å; L309-W356 VanDerWaalsContact CA-CE2 3.46Å; L309-W356 VanDerWaalsContact CA-CZ2 3.47Å; L309-W356 HydrophobicContact CB-CD2 3.79Å; L309-W356 HydrophobicContact CB-CE3 4.47Å; L309-W356 HydrophobicContact CB-CG 3.85Å; L309-W356 HydrophobicContact CB-CZ2 4.18Å; L309-W356 HydrophobicContact CD1-CB 4.16Å; L309-W356 HydrophobicContact CD1-CD2 3.56Å; L309-W356 HydrophobicContact CD1-CE3 3.48Å; L309-W356 VanDerWaalsContact CD1-CE3 3.48Å; L309-W356 HydrophobicContact CD1-CG 3.85Å; L309-W356 HydrophobicContact CD1-CZ3 4.06Å; L309-W356 HydrophobicContact CD2-CB 4.23Å; L309-W356 HydrophobicContact CD2-CG 4.22Å; L309-W356 HydrophobicContact CG-CD2 4.17Å; L309-W356 HydrophobicContact CG-CG 4.16Å; W312-W356 HydrophobicContact CB-CH2 3.5Å; W312-W356 VanDerWaalsContact CB-CH2 3.5Å; W312-W356 HydrophobicContact CB-CZ2 4.27Å; W312-W356 HydrophobicContact CB-CZ3 4.2Å; W312-W356 AromaticContact CD2-CH2 3.77Å; W312-W356 HydrophobicContact CD2-CH2 3.77Å; W312-W356 AromaticContact CD2-CZ3 3.55Å; W312-W356 HydrophobicContact CD2-CZ3 3.55Å; W312-W356 HydrophobicContact CE3-CE3 4.28Å; W312-W356 AromaticContact CE3-CH2 3.99Å; W312-W356 HydrophobicContact CE3-CH2 3.99Å; W312-W356 AromaticContact CE3-CZ3 3.44Å; W312-W356 HydrophobicContact CE3-CZ3 3.44Å; W312-W356 VanDerWaalsContact CE3-CZ3 3.44Å; W312-W356 AromaticContact CG-CH2 3.54Å; W312-W356 HydrophobicContact CG-CH2 3.54Å; W312-W356 AromaticContact CG-CZ3 3.87Å; W312-W356 HydrophobicContact CG-CZ3 3.87Å; W312-W356 HydrophobicContact CZ3-CZ3 4.11Å; I345-W356 HydrophobicContact CG2-CH2 3.52Å; I345-W356 HydrophobicContact CG2-CZ2 3.71Å; I349-W356 HydrophobicContact CD1-CD2 3.7Å; I349-W356 VanDerWaalsContact CD1-CE2 3.45Å; I349-W356 HydrophobicContact CD1-CE3 3.92Å; I349-W356 HydrophobicContact CD1-CG 4.44Å; I349-W356 HydrophobicContact CD1-CH2 3.71Å; I349-W356 HydrophobicContact CD1-CZ2 3.46Å; I349-W356 VanDerWaalsContact CD1-CZ2 3.46Å; I349-W356 HydrophobicContact CD1-CZ3 3.93Å; I349-W356 WeakPolarHBondContact CD1-O 3.43Å; I349-W356 HydrophobicContact CG2-CZ2 4.29Å; W356-P358 HydrophobicContact CE3-CG 4.37Å; W356-P358 HydrophobicContact CZ3-CG 3.84Å
357	K	97.3	Very high	95.6	Very high	84 Å²	84	52.7 Å²	52.7	37%	0.365	26%	0.255	S	S	.	.			trans	-118.2	125.1	178.9	-64.2	175.9	-179.5	168.4	0	109.1	E69 Y177 T359 V360 C361	E69-K357 IonicContact OE1-NZ 2.94Å; E69-K357 PolarHBondContact OE1-NZ 3.33Å; E69-K357 IonicContact OE2-NZ 2.82Å; E69-K357 PolarHBondContact OE2-NZ 2.91Å; Y177-K357 PolarHBondContact OH-N 3.26Å; K357-T359 PolarHBondContact O-N 2.78Å; K357-V360 HydrophobicContact CB-CB 4.23Å; K357-V360 HydrophobicContact CB-CG2 3.96Å; K357-V360 HydrophobicContact CD-CG2 4.23Å; K357-V360 PolarHBondContact O-N 2.85Å; K357-V360 VanDerWaalsContact O-N 3.12Å; K357-C361 PolarHBondContact O-N 3.39Å; K357-C361 PolarHBondContact O-SG 2.8Å
358	P	97.5	Very high	95.9	Very high	22 Å²	22	46 Å²	46	14%	0.143	22%	0.224	C	C	.	.	H	α-helix	trans	-51	-37.1	172.7	-30.5	35.6	0	0	0	113.5	F72 W312 W356 C361 M362	F72-P358 HydrophobicContact CD2-CB 4.45Å; F72-P358 HydrophobicContact CE2-CB 4.04Å; W312-P358 HydrophobicContact CH2-CB 3.85Å; W312-P358 HydrophobicContact CZ2-CB 3.58Å; W312-P358 HydrophobicContact CZ2-CG 4.26Å; W356-P358 HydrophobicContact CE3-CG 4.37Å; W356-P358 HydrophobicContact CZ3-CG 3.84Å; P358-C361 WeakPolarHBondContact O-CB 3.23Å; P358-C361 PolarHBondContact O-N 3.33Å; P358-M362 WeakPolarHBondContact O-CG 3.47Å; P358-M362 PolarHBondContact O-N 2.95Å
359	T	97.5	Very high	96.1	Very high	39 Å²	39	41.9 Å²	41.9	24%	0.239	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-47.5	178	51.6	0	0	0	0	112.2	R70 F72 K357 C361 M362 N363	R70-T359 WeakPolarHBondContact O-CB 3.45Å; F72-T359 HydrophobicContact CB-CG2 3.88Å; F72-T359 HydrophobicContact CD2-CG2 3.91Å; F72-T359 HydrophobicContact CG-CG2 4.4Å; K357-T359 PolarHBondContact O-N 2.78Å; T359-C361 VanDerWaalsContact C-N 3.33Å; T359-C361 PolarHBondContact O-N 3.49Å; T359-M362 PolarHBondContact O-N 2.84Å; T359-N363 VanDerWaalsContact O-CB 3.25Å; T359-N363 WeakPolarHBondContact O-CB 3.32Å; T359-N363 PolarHBondContact O-N 2.89Å; T359-N363 PolarHBondContact O-ND2 3.49Å
360	V	98.4	Very high	96.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-44.7	177.2	167.9	0	0	0	0	110.8	R65 E69 P176 Y177 K357 M362 N363 F364	R65-V360 HydrophobicContact CB-CG1 4.28Å; R65-V360 HydrophobicContact CG-CG1 4.45Å; E69-V360 HydrophobicContact CG-CG2 3.91Å; P176-V360 HydrophobicContact CB-CG1 3.72Å; P176-V360 HydrophobicContact CG-CG1 4.03Å; Y177-V360 HydrophobicContact CE2-CB 4.02Å; Y177-V360 HydrophobicContact CE2-CG1 3.64Å; Y177-V360 WeakPolarHBondContact OH-CB 3.47Å; Y177-V360 WeakPolarHBondContact OH-CG1 3.23Å; K357-V360 HydrophobicContact CB-CB 4.23Å; K357-V360 HydrophobicContact CB-CG2 3.96Å; K357-V360 HydrophobicContact CD-CG2 4.23Å; K357-V360 PolarHBondContact O-N 2.85Å; K357-V360 VanDerWaalsContact O-N 3.12Å; V360-M362 PolarHBondContact O-N 3.27Å; V360-N363 PolarHBondContact O-N 2.93Å; V360-F364 WeakPolarHBondContact O-CB 3.07Å; V360-F364 PolarHBondContact O-N 3.41Å
361	C	98.8	Very high	96.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59	-49.5	-179.8	-57.1	0	0	0	0	111.7	L173 W312 K357 P358 T359 C365	L173-C361 HydrophobicContact CB-CB 4.21Å; L173-C361 HydrophobicContact CG-CB 4.31Å; L173-C361 VanDerWaalsContact O-CA 3.31Å; L173-C361 WeakPolarHBondContact O-CA 3.47Å; L173-C361 WeakPolarHBondContact O-CB 3.24Å; L173-C361 PolarHBondContact O-SG 2.83Å; L173-C361 VanDerWaalsContact O-SG 3.35Å; W312-C361 HydrophobicContact CH2-CB 4Å; W312-C361 HydrophobicContact CZ3-CB 3.68Å; K357-C361 PolarHBondContact O-N 3.39Å; K357-C361 PolarHBondContact O-SG 2.8Å; P358-C361 WeakPolarHBondContact O-CB 3.23Å; P358-C361 PolarHBondContact O-N 3.33Å; T359-C361 VanDerWaalsContact C-N 3.33Å; T359-C361 PolarHBondContact O-N 3.49Å; C361-C365 PolarHBondContact O-N 3.13Å; C361-C365 VanDerWaalsContact O-N 3.17Å
362	M	98.7	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-73.5	-36.9	-177.2	-65.1	-61	-64.7	0	0	112.6	F72 P73 Y75 L173 L258 W312 F316 P358 T359 V360 C365 C366	F72-M362 HydrophobicContact CE1-CG 4.46Å; F72-M362 HydrophobicContact CE2-CB 4.23Å; F72-M362 HydrophobicContact CE2-CG 3.6Å; F72-M362 HydrophobicContact CZ-CB 4.3Å; F72-M362 HydrophobicContact CZ-CG 3.55Å; P73-M362 HydrophobicContact CG-CB 3.55Å; Y75-M362 HydrophobicContact CD1-CE 4.28Å; Y75-M362 HydrophobicContact CD2-CE 3.6Å; Y75-M362 HydrophobicContact CE2-CE 4.03Å; Y75-M362 HydrophobicContact CG-CE 3.73Å; L173-M362 HydrophobicContact CD1-SD 4.26Å; L173-M362 HydrophobicContact CD2-SD 3.67Å; L173-M362 HydrophobicContact CG-SD 3.96Å; L258-M362 HydrophobicContact CD1-CE 3.77Å; L258-M362 HydrophobicContact CD2-CE 4.26Å; W312-M362 HydrophobicContact CH2-CG 4.07Å; W312-M362 HydrophobicContact CH2-SD 4.22Å; F316-M362 HydrophobicContact CD1-SD 4.13Å; F316-M362 HydrophobicContact CE1-CE 3.92Å; F316-M362 HydrophobicContact CE1-CG 4.47Å; F316-M362 HydrophobicContact CE1-SD 3.83Å; P358-M362 WeakPolarHBondContact O-CG 3.47Å; P358-M362 PolarHBondContact O-N 2.95Å; T359-M362 PolarHBondContact O-N 2.84Å; V360-M362 PolarHBondContact O-N 3.27Å; M362-C365 PolarHBondContact O-N 3.49Å; M362-C366 WeakPolarHBondContact O-CB 3.4Å; M362-C366 PolarHBondContact O-N 2.97Å
363	N	98.8	Very high	97.3	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-67.1	-41.5	177.5	-79.9	-49.6	0	0	0	112	Y68 R70 D71 P73 T359 V360 C366 D367	Y68-N363 HydrophobicContact CD1-CB 4.13Å; Y68-N363 PolarHBondContact O-ND2 3.2Å; R70-N363 HydrophobicContact CG-CB 4.3Å; R70-N363 VanDerWaalsContact CG-CG 3.46Å; R70-N363 WeakPolarHBondContact CG-ND2 3.26Å; R70-N363 PolarHBondContact NE-OD1 2.88Å; R70-N363 PolarHBondContact NH2-OD1 3.23Å; R70-N363 PolarHBondContact O-ND2 2.88Å; D71-N363 PolarHBondContact O-ND2 3.01Å; P73-N363 WeakPolarHBondContact CD-OD1 3.28Å; T359-N363 VanDerWaalsContact O-CB 3.25Å; T359-N363 WeakPolarHBondContact O-CB 3.32Å; T359-N363 PolarHBondContact O-N 2.89Å; T359-N363 PolarHBondContact O-ND2 3.49Å; V360-N363 PolarHBondContact O-N 2.93Å; N363-C366 WeakPolarHBondContact O-CB 3.41Å; N363-C366 PolarHBondContact O-N 3.29Å; N363-D367 PolarHBondContact O-N 3.49Å
364	F	98.8	Very high	97.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.9	-46.9	172.1	172.3	-95.3	0	0	0	111.4	L61 T63 Y68 L172 T175 P176 V360 C366 D367 F368 V395	L61-F364 HydrophobicContact CD2-CE2 4.09Å; T63-F364 HydrophobicContact CG2-CE2 3.79Å; T63-F364 HydrophobicContact CG2-CZ 4.19Å; Y68-F364 HydrophobicContact CD1-CB 4.15Å; Y68-F364 HydrophobicContact CD2-CB 4.09Å; Y68-F364 HydrophobicContact CD2-CD2 4.33Å; Y68-F364 HydrophobicContact CE1-CB 4.22Å; Y68-F364 HydrophobicContact CE1-CD2 4.27Å; Y68-F364 HydrophobicContact CE2-CB 4.18Å; Y68-F364 AromaticContact CE2-CD2 3.61Å; Y68-F364 HydrophobicContact CE2-CD2 3.61Å; Y68-F364 HydrophobicContact CE2-CG 4.37Å; Y68-F364 HydrophobicContact CG-CB 4.08Å; Y68-F364 AromaticContact CZ-CD2 3.58Å; L172-F364 HydrophobicContact CB-CE1 4.36Å; L172-F364 HydrophobicContact CD2-CE1 4.24Å; L172-F364 WeakPolarHBondContact O-CD1 3.34Å; L172-F364 VanDerWaalsContact O-CE1 3.26Å; L172-F364 WeakPolarHBondContact O-CE1 3.3Å; T175-F364 VanDerWaalsContact CB-CE1 3.47Å; T175-F364 HydrophobicContact CG2-CE1 3.72Å; T175-F364 HydrophobicContact CG2-CE2 4.23Å; T175-F364 HydrophobicContact CG2-CZ 3.53Å; P176-F364 HydrophobicContact CG-CB 3.54Å; P176-F364 HydrophobicContact CG-CD1 4.06Å; P176-F364 HydrophobicContact CG-CD2 4.11Å; P176-F364 HydrophobicContact CG-CG 3.61Å; V360-F364 WeakPolarHBondContact O-CB 3.07Å; V360-F364 PolarHBondContact O-N 3.41Å; F364-C366 VanDerWaalsContact C-N 3.3Å; F364-C366 PolarHBondContact O-N 2.92Å; F364-D367 PolarHBondContact O-N 3.42Å; F364-F368 HydrophobicContact CE1-CB 4.49Å; F364-F368 WeakPolarHBondContact O-CB 3.3Å; F364-F368 PolarHBondContact O-N 3.48Å; F364-V395 HydrophobicContact CE2-CG2 4.32Å; F364-V395 HydrophobicContact CZ-CG2 4.06Å
365	C	98.9	Very high	98.1	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.014	12%	0.116	C	C	.	.	H	α-helix	trans	-59.9	-41.2	177.6	-171.4	0	0	0	0	112	L172 L173 L258 C361 M362 F368 L369	L172-C365 HydrophobicContact CB-CB 4.47Å; L173-C365 HydrophobicContact CD1-CB 3.59Å; L173-C365 HydrophobicContact CG-CB 4.49Å; L258-C365 HydrophobicContact CD2-CB 4.23Å; C361-C365 PolarHBondContact O-N 3.13Å; C361-C365 VanDerWaalsContact O-N 3.17Å; M362-C365 PolarHBondContact O-N 3.49Å; C365-F368 PolarHBondContact O-N 2.94Å; C365-L369 VanDerWaalsContact O-CG 3.27Å; C365-L369 WeakPolarHBondContact O-CG 3.29Å; C365-L369 PolarHBondContact O-N 3.08Å
366	C	98.8	Very high	98.2	Very high	8 Å²	8	22.5 Å²	22.5	5%	0.054	11%	0.11	C	C	.	.	H	α-helix	trans	-61	-48.3	175.9	-175.9	0	0	0	0	111.5	L258 T259 H261 M362 N363 F364 F368 L369 S370	L258-C366 HydrophobicContact CD1-CB 4.49Å; L258-C366 HydrophobicContact CD2-CB 3.95Å; L258-C366 HydrophobicContact CG-CB 4.1Å; T259-C366 PolarHBondContact OG1-SG 3.16Å; H261-C366 PolarHBondContact NE2-O 3.21Å; M362-C366 WeakPolarHBondContact O-CB 3.4Å; M362-C366 PolarHBondContact O-N 2.97Å; N363-C366 WeakPolarHBondContact O-CB 3.41Å; N363-C366 PolarHBondContact O-N 3.29Å; F364-C366 VanDerWaalsContact C-N 3.3Å; F364-C366 PolarHBondContact O-N 2.92Å; C366-F368 VanDerWaalsContact C-N 3.32Å; C366-F368 PolarHBondContact O-N 3.35Å; C366-L369 PolarHBondContact O-N 3.45Å; C366-S370 PolarHBondContact O-N 3.22Å; C366-S370 PolarHBondContact O-OG 2.92Å
367	D	98.7	Very high	98.2	Very high	39 Å²	39	26 Å²	26	21%	0.209	13%	0.132	C	C	.	.	H	α-helix	trans	-70.3	-31.2	-178.4	-71.9	3.1	0	0	0	111.6	L61 Y68 R70 N363 F364 S370 F371	L61-D367 HydrophobicContact CD1-CB 4.21Å; Y68-D367 HydrophobicContact CE1-CB 3.86Å; Y68-D367 WeakPolarHBondContact CE1-OD2 3.41Å; R70-D367 IonicContact CZ-OD1 2.94Å; R70-D367 IonicContact CZ-OD2 3.31Å; R70-D367 IonicContact NH1-OD1 3.49Å; R70-D367 PolarHBondContact NH1-OD1 3.06Å; R70-D367 IonicContact NH1-OD2 3.66Å; R70-D367 PolarHBondContact NH1-OD2 3.03Å; R70-D367 VanDerWaalsContact NH2-CG 3.31Å; R70-D367 IonicContact NH2-OD1 3.4Å; R70-D367 PolarHBondContact NH2-OD1 3.12Å; R70-D367 IonicContact NH2-OD2 3.38Å; R70-D367 PolarHBondContact NH2-OD2 3.3Å; N363-D367 PolarHBondContact O-N 3.49Å; F364-D367 PolarHBondContact O-N 3.42Å; D367-S370 PolarHBondContact O-N 3.12Å; D367-F371 VanDerWaalsContact O-CB 3.31Å; D367-F371 WeakPolarHBondContact O-CB 3.13Å; D367-F371 PolarHBondContact O-N 2.82Å
368	F	98.8	Very high	98.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.2	-47	169.7	178.8	-91.6	0	0	0	112	L61 L172 W183 L185 F364 C365 C366 S370 F371 V372 F387 V395	L61-F368 VanDerWaalsContact CD2-CA 3.49Å; L61-F368 HydrophobicContact CD2-CB 3.84Å; L61-F368 HydrophobicContact CD2-CD2 4.06Å; L61-F368 HydrophobicContact CD2-CG 4.45Å; L172-F368 HydrophobicContact CD1-CD1 3.39Å; L172-F368 HydrophobicContact CD1-CE1 3.62Å; L172-F368 HydrophobicContact CD1-CG 4.22Å; L172-F368 HydrophobicContact CD2-CB 4.5Å; L172-F368 HydrophobicContact CD2-CD1 3.61Å; L172-F368 HydrophobicContact CD2-CD2 3.97Å; L172-F368 HydrophobicContact CD2-CE1 3.7Å; L172-F368 HydrophobicContact CD2-CE2 4.07Å; L172-F368 HydrophobicContact CD2-CG 3.74Å; L172-F368 HydrophobicContact CD2-CZ 3.93Å; L172-F368 HydrophobicContact CG-CD1 4.14Å; L172-F368 HydrophobicContact CG-CE1 4.31Å; W183-F368 HydrophobicContact CH2-CD2 4.22Å; W183-F368 AromaticContact CH2-CE2 3.61Å; W183-F368 HydrophobicContact CH2-CE2 3.61Å; W183-F368 HydrophobicContact CH2-CZ 4.19Å; W183-F368 HydrophobicContact CZ3-CE2 4.19Å; W183-F368 HydrophobicContact CZ3-CZ 4.43Å; L185-F368 HydrophobicContact CD1-CE1 4.22Å; L185-F368 HydrophobicContact CD1-CZ 3.95Å; F364-F368 HydrophobicContact CE1-CB 4.49Å; F364-F368 WeakPolarHBondContact O-CB 3.3Å; F364-F368 PolarHBondContact O-N 3.48Å; C365-F368 PolarHBondContact O-N 2.94Å; C366-F368 VanDerWaalsContact C-N 3.32Å; C366-F368 PolarHBondContact O-N 3.35Å; F368-S370 VanDerWaalsContact C-N 3.31Å; F368-S370 PolarHBondContact O-N 2.96Å; F368-F371 WeakPolarHBondContact O-CB 3.49Å; F368-F371 PolarHBondContact O-N 3.44Å; F368-F371 VanDerWaalsContact O-N 3.12Å; F368-V372 HydrophobicContact CD1-CG2 3.99Å; F368-V372 HydrophobicContact CE1-CG2 3.5Å; F368-V372 HydrophobicContact CE2-CG2 4.22Å; F368-V372 HydrophobicContact CZ-CG2 3.63Å; F368-V372 WeakPolarHBondContact O-CG2 3.17Å; F368-V372 PolarHBondContact O-N 3.4Å; F368-F387 HydrophobicContact CE2-CB 4.17Å; F368-F387 AromaticContact CE2-CD1 3.94Å; F368-F387 HydrophobicContact CE2-CD1 3.94Å; F368-F387 HydrophobicContact CE2-CG 4.15Å; F368-F387 HydrophobicContact CZ-CB 4.2Å; F368-F387 HydrophobicContact CZ-CD1 4.3Å; F368-F387 HydrophobicContact CZ-CG 4.14Å; F368-V395 HydrophobicContact CD2-CG1 4.4Å; F368-V395 HydrophobicContact CE2-CG1 4.04Å
369	L	98.8	Very high	98.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.1	-38.1	176.9	-65.8	169.3	0	0	0	111.6	F162 I196 L258 H261 L263 C365 C366 F371 V372 K373	F162-L369 HydrophobicContact CD1-CD2 3.86Å; F162-L369 HydrophobicContact CD2-CD2 3.98Å; F162-L369 HydrophobicContact CE1-CD2 3.72Å; F162-L369 HydrophobicContact CE2-CB 3.8Å; F162-L369 HydrophobicContact CE2-CD2 3.84Å; F162-L369 HydrophobicContact CE2-CG 4.26Å; F162-L369 HydrophobicContact CG-CD2 3.97Å; F162-L369 HydrophobicContact CZ-CB 3.75Å; F162-L369 HydrophobicContact CZ-CD2 3.69Å; F162-L369 HydrophobicContact CZ-CG 4.29Å; F162-L369 WeakPolarHBondContact CZ-O 3.25Å; I196-L369 HydrophobicContact CD1-CD2 4.07Å; L258-L369 HydrophobicContact CD2-CD1 4.19Å; H261-L369 HydrophobicContact CB-CD1 4.1Å; L263-L369 HydrophobicContact CD1-CD1 4.46Å; L263-L369 HydrophobicContact CD2-CD1 3.89Å; C365-L369 VanDerWaalsContact O-CG 3.27Å; C365-L369 WeakPolarHBondContact O-CG 3.29Å; C365-L369 PolarHBondContact O-N 3.08Å; C366-L369 PolarHBondContact O-N 3.45Å; L369-F371 VanDerWaalsContact C-N 3.34Å; L369-V372 PolarHBondContact O-N 3.35Å; L369-K373 PolarHBondContact O-N 2.89Å
370	S	98.6	Very high	98.1	Very high	48 Å²	48	27.9 Å²	27.9	34%	0.336	14%	0.141	S	C	.	.	H	α-helix	trans	-63	-39.1	171.5	-71.5	0	0	0	0	112.6	H261 C366 D367 F368 R374	H261-S370 PolarHBondContact CE1-OG 3.43Å; H261-S370 VanDerWaalsContact CE1-OG 3.23Å; H261-S370 PolarHBondContact NE2-OG 3.46Å; C366-S370 PolarHBondContact O-N 3.22Å; C366-S370 PolarHBondContact O-OG 2.92Å; D367-S370 PolarHBondContact O-N 3.12Å; F368-S370 VanDerWaalsContact C-N 3.31Å; F368-S370 PolarHBondContact O-N 2.96Å; S370-R374 WeakPolarHBondContact O-CB 3.39Å; S370-R374 PolarHBondContact O-N 3.32Å; S370-R374 VanDerWaalsContact O-N 3.14Å
371	F	98.5	Very high	98	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.4	-48.7	174	179.9	-144.7	0	0	0	110.9	Q59 L61 D367 F368 L369 K373 R374 E375 F387 V395 Y397	Q59-F371 WeakPolarHBondContact O-CZ 3.25Å; L61-F371 HydrophobicContact CB-CD1 3.55Å; L61-F371 HydrophobicContact CB-CE1 3.76Å; L61-F371 HydrophobicContact CB-CG 4.1Å; L61-F371 HydrophobicContact CB-CZ 4.43Å; L61-F371 HydrophobicContact CD2-CB 4.18Å; L61-F371 HydrophobicContact CD2-CD1 3.98Å; L61-F371 HydrophobicContact CD2-CG 4.44Å; L61-F371 HydrophobicContact CG-CD1 4.36Å; D367-F371 VanDerWaalsContact O-CB 3.31Å; D367-F371 WeakPolarHBondContact O-CB 3.13Å; D367-F371 PolarHBondContact O-N 2.82Å; F368-F371 WeakPolarHBondContact O-CB 3.49Å; F368-F371 PolarHBondContact O-N 3.44Å; F368-F371 VanDerWaalsContact O-N 3.12Å; L369-F371 VanDerWaalsContact C-N 3.34Å; F371-K373 PolarHBondContact O-N 2.83Å; F371-R374 WeakPolarHBondContact O-CB 3.45Å; F371-R374 PolarHBondContact O-N 2.95Å; F371-R374 VanDerWaalsContact O-N 3.14Å; F371-E375 HydrophobicContact CD2-CG 3.47Å; F371-E375 VanDerWaalsContact CD2-CG 3.47Å; F371-E375 HydrophobicContact CE2-CG 3.32Å; F371-E375 HydrophobicContact CZ-CG 4.21Å; F371-E375 WeakPolarHBondContact O-CG 3.31Å; F371-E375 PolarHBondContact O-N 2.8Å; F371-F387 HydrophobicContact CD1-CD1 4.05Å; F371-F387 AromaticContact CD1-CE1 3.64Å; F371-F387 HydrophobicContact CD1-CE1 3.64Å; F371-F387 AromaticContact CE1-CD1 3.84Å; F371-F387 HydrophobicContact CE1-CD1 3.84Å; F371-F387 AromaticContact CE1-CE1 3.56Å; F371-F387 HydrophobicContact CE1-CE1 3.56Å; F371-F387 HydrophobicContact CG-CE1 4.27Å; F371-F387 HydrophobicContact CZ-CE1 4.16Å; F371-V395 HydrophobicContact CE1-CB 4.48Å; F371-V395 HydrophobicContact CE1-CG1 4.24Å; F371-Y397 HydrophobicContact CE1-CD1 4.48Å; F371-Y397 HydrophobicContact CE2-CD1 4.33Å; F371-Y397 HydrophobicContact CE2-CE1 4.25Å; F371-Y397 AromaticContact CZ-CD1 3.78Å; F371-Y397 HydrophobicContact CZ-CD1 3.78Å; F371-Y397 HydrophobicContact CZ-CE1 4.11Å
372	V	98.6	Very high	97.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.5	-49.4	177.3	175.1	0	0	0	0	111.7	F162 V187 L194 F368 L369 R374 E375 A376 F387	F162-V372 HydrophobicContact CE1-CB 4.21Å; F162-V372 HydrophobicContact CE1-CG1 3.87Å; V187-V372 HydrophobicContact CB-CG1 4.33Å; V187-V372 HydrophobicContact CG1-CG1 3.61Å; V187-V372 HydrophobicContact CG2-CG1 4.14Å; V187-V372 HydrophobicContact CG2-CG2 4.47Å; L194-V372 HydrophobicContact CD1-CG1 4.26Å; L194-V372 HydrophobicContact CD2-CG1 4.3Å; F368-V372 HydrophobicContact CD1-CG2 3.99Å; F368-V372 HydrophobicContact CE1-CG2 3.5Å; F368-V372 HydrophobicContact CE2-CG2 4.22Å; F368-V372 HydrophobicContact CZ-CG2 3.63Å; F368-V372 WeakPolarHBondContact O-CG2 3.17Å; F368-V372 PolarHBondContact O-N 3.4Å; L369-V372 PolarHBondContact O-N 3.35Å; V372-R374 PolarHBondContact O-N 2.92Å; V372-E375 PolarHBondContact O-N 2.87Å; V372-A376 HydrophobicContact CG1-CB 4.25Å; V372-A376 WeakPolarHBondContact O-CB 3.43Å; V372-A376 PolarHBondContact O-N 2.86Å; V372-F387 HydrophobicContact CB-CZ 4.23Å; V372-F387 HydrophobicContact CG1-CE2 4.34Å; V372-F387 HydrophobicContact CG1-CZ 4.45Å; V372-F387 HydrophobicContact CG2-CD1 4.44Å; V372-F387 HydrophobicContact CG2-CD2 4.34Å; V372-F387 HydrophobicContact CG2-CE1 4Å; V372-F387 HydrophobicContact CG2-CE2 3.89Å; V372-F387 HydrophobicContact CG2-CZ 3.72Å
373	K	97.7	Very high	97.8	Very high	67 Å²	67	31.2 Å²	31.2	29%	0.291	16%	0.164	S	C	.	.	H	α-helix	trans	-56.4	-35.8	177.3	-89.4	-175.9	177.9	-171.4	0	112.7	D161 F162 L194 D260 L369 F371	D161-K373 VanDerWaalsContact OD1-CE 3.32Å; D161-K373 WeakPolarHBondContact OD1-CE 3.23Å; D161-K373 IonicContact OD1-NZ 2.58Å; D161-K373 PolarHBondContact OD1-NZ 2.96Å; D161-K373 IonicContact OD2-NZ 3.3Å; D161-K373 PolarHBondContact OD2-NZ 2.87Å; F162-K373 HydrophobicContact CE2-CD 4.26Å; F162-K373 HydrophobicContact CE2-CG 4.14Å; F162-K373 HydrophobicContact CZ-CD 4.37Å; F162-K373 HydrophobicContact CZ-CG 3.76Å; L194-K373 HydrophobicContact CD1-CB 4.43Å; L194-K373 HydrophobicContact CD1-CG 3.69Å; D260-K373 PolarHBondContact O-NZ 3.04Å; D260-K373 VanDerWaalsContact O-NZ 3.14Å; L369-K373 PolarHBondContact O-N 2.89Å; F371-K373 PolarHBondContact O-N 2.83Å
374	R	97.1	Very high	97.8	Very high	118 Å²	118	31 Å²	31	45%	0.445	16%	0.163	S	C	.	.	H	α-helix	trans	-74.5	-39.9	-178.1	-175.6	179.5	68.5	-124.3	11.7	112.5	S370 F371 V372 T377	S370-R374 WeakPolarHBondContact O-CB 3.39Å; S370-R374 PolarHBondContact O-N 3.32Å; S370-R374 VanDerWaalsContact O-N 3.14Å; F371-R374 WeakPolarHBondContact O-CB 3.45Å; F371-R374 PolarHBondContact O-N 2.95Å; F371-R374 VanDerWaalsContact O-N 3.14Å; V372-R374 PolarHBondContact O-N 2.92Å; R374-T377 VanDerWaalsContact O-CG2 3.3Å; R374-T377 WeakPolarHBondContact O-CG2 3.36Å
375	E	97.5	Very high	97.8	Very high	35 Å²	35	31.9 Å²	31.9	16%	0.164	17%	0.166	C	C	.	.	H	α-helix	trans	-93.3	-41.5	-173	-53.3	-58.5	142.9	0	0	112.8	F371 V372 T377 Y385 F387 Y397	F371-E375 HydrophobicContact CD2-CG 3.47Å; F371-E375 VanDerWaalsContact CD2-CG 3.47Å; F371-E375 HydrophobicContact CE2-CG 3.32Å; F371-E375 HydrophobicContact CZ-CG 4.21Å; F371-E375 WeakPolarHBondContact O-CG 3.31Å; F371-E375 PolarHBondContact O-N 2.8Å; V372-E375 PolarHBondContact O-N 2.87Å; E375-T377 VanDerWaalsContact C-N 3.29Å; E375-T377 PolarHBondContact O-N 2.83Å; E375-Y385 WeakPolarHBondContact O-CE1 3.32Å; E375-F387 HydrophobicContact CB-CZ 4.48Å; E375-Y397 HydrophobicContact CB-CD1 4.48Å; E375-Y397 HydrophobicContact CB-CE1 3.88Å; E375-Y397 HydrophobicContact CB-CE2 4.39Å; E375-Y397 HydrophobicContact CG-CD1 4.29Å; E375-Y397 HydrophobicContact CG-CE1 3.6Å; E375-Y397 PolarHBondContact OE2-OH 3.03Å
376	A	97.3	Very high	97.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.			trans	-83.5	66.4	-176	0	0	0	0	0	112	V187 L194 V372 Y385	V187-A376 HydrophobicContact CG1-CB 4.2Å; L194-A376 HydrophobicContact CD2-CB 3.81Å; V372-A376 HydrophobicContact CG1-CB 4.25Å; V372-A376 WeakPolarHBondContact O-CB 3.43Å; V372-A376 PolarHBondContact O-N 2.86Å; A376-Y385 HydrophobicContact CB-CD1 4.21Å; A376-Y385 HydrophobicContact CB-CD2 3.66Å; A376-Y385 HydrophobicContact CB-CE2 4.01Å; A376-Y385 HydrophobicContact CB-CG 3.78Å
377	T	96.4	Very high	97.8	Very high	80 Å²	80	31.8 Å²	31.8	49%	0.491	17%	0.165	S	C	.	.			trans	-89.8	-29.7	-169.3	55.6	0	0	0	0	114.4	R189 R374 E375 D379	R189-T377 PolarHBondContact NH1-O 3.43Å; R374-T377 VanDerWaalsContact O-CG2 3.3Å; R374-T377 WeakPolarHBondContact O-CG2 3.36Å; E375-T377 VanDerWaalsContact C-N 3.29Å; E375-T377 PolarHBondContact O-N 2.83Å; T377-D379 PolarHBondContact O-N 3.1Å
378	E	97.6	Very high	97.8	Very high	61 Å²	61	31.7 Å²	31.7	29%	0.285	17%	0.168	S	C	.	.			trans	-70	116.8	-177.2	-171.1	175.8	154.2	0	0	111.4	R189 N380 V383 R401	R189-E378 WeakPolarHBondContact CB-O 3.49Å; E378-N380 HydrophobicContact CG-CB 3.98Å; E378-N380 PolarHBondContact O-N 3.15Å; E378-N380 VanDerWaalsContact O-N 3.14Å; E378-N380 PolarHBondContact OE1-ND2 3.05Å; E378-V383 HydrophobicContact CG-CG2 4.42Å; E378-V383 WeakPolarHBondContact OE1-CG2 3.21Å; E378-R401 IonicContact OE1-CZ 3.7Å; E378-R401 IonicContact OE1-NH1 3.57Å; E378-R401 PolarHBondContact OE1-NH1 3.24Å; E378-R401 IonicContact OE1-NH2 2.9Å; E378-R401 IonicContact OE2-CZ 3.68Å; E378-R401 IonicContact OE2-NH1 2.75Å; E378-R401 PolarHBondContact OE2-NH1 2.92Å; E378-R401 IonicContact OE2-NH2 3.7Å; E378-R401 PolarHBondContact OE2-NH2 3.35Å
379	D	96.6	Very high	97.8	Very high	74 Å²	74	31.9 Å²	31.9	40%	0.396	17%	0.168	S	C	.	.	B	Isolated β-bridge	trans	-83.2	85.2	177.3	-159.9	-29.8	0	0	0	110.1	R189 F190 N191 G192 T377	R189-D379 HydrophobicContact CG-CB 4.39Å; F190-D379 WeakPolarHBondContact CA-OD1 3.31Å; N191-D379 PolarHBondContact N-OD1 2.61Å; N191-D379 PolarHBondContact N-OD2 3.01Å; G192-D379 PolarHBondContact N-OD2 2.83Å; T377-D379 PolarHBondContact O-N 3.1Å
380	N	96.9	Very high	97.8	Very high	50 Å²	50	35.7 Å²	35.7	27%	0.267	19%	0.186	S	C	.	.			trans	-155.7	118.7	-175.7	-176	-16.6	0	0	0	110.2	R189 E378 S382 V383	R189-N380 CarbonylContact O-C 3.44Å; R189-N380 PolarHBondContact O-N 3.2Å; E378-N380 HydrophobicContact CG-CB 3.98Å; E378-N380 PolarHBondContact O-N 3.15Å; E378-N380 VanDerWaalsContact O-N 3.14Å; E378-N380 PolarHBondContact OE1-ND2 3.05Å; N380-S382 PolarHBondContact O-N 2.94Å; N380-S382 VanDerWaalsContact O-N 3.15Å; N380-S382 WeakPolarHBondContact OD1-CB 3.38Å; N380-S382 PolarHBondContact OD1-N 3.36Å; N380-V383 HydrophobicContact CB-CB 4.35Å; N380-V383 HydrophobicContact CB-CG2 3.83Å; N380-V383 PolarHBondContact O-N 3.22Å
381	P	95.7	Very high	97.7	Very high	29 Å²	29	34.4 Å²	34.4	19%	0.188	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18	-177.6	27.4	-34	0	0	0	114	F190 V383 L408 I413	F190-P381 HydrophobicContact CB-CB 4.46Å; F190-P381 HydrophobicContact CD2-CB 4.01Å; F190-P381 HydrophobicContact CD2-CG 3.93Å; F190-P381 HydrophobicContact CE2-CG 4.2Å; F190-P381 HydrophobicContact CG-CB 4.28Å; P381-V383 VanDerWaalsContact C-N 3.34Å; P381-L408 HydrophobicContact CB-CD1 4.24Å; P381-I413 HydrophobicContact CB-CD1 3.63Å; P381-I413 HydrophobicContact CB-CG1 4.03Å; P381-I413 HydrophobicContact CG-CD1 4Å; P381-I413 HydrophobicContact CG-CG1 4.37Å; P381-I413 HydrophobicContact CG-CG2 4.26Å
382	S	96.2	Very high	97.5	Very high	40 Å²	40	41.9 Å²	41.9	28%	0.28	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.6	175	-80.3	0	0	0	0	114	N380 R401 D402	N380-S382 PolarHBondContact O-N 2.94Å; N380-S382 VanDerWaalsContact O-N 3.15Å; N380-S382 WeakPolarHBondContact OD1-CB 3.38Å; N380-S382 PolarHBondContact OD1-N 3.36Å; S382-R401 WeakPolarHBondContact O-CA 3.46Å; S382-D402 WeakPolarHBondContact CB-OD1 3.5Å; S382-D402 PolarHBondContact O-N 2.93Å; S382-D402 PolarHBondContact OG-OD1 3.25Å
383	V	98.5	Very high	97.5	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	131.1	-178.9	-176.5	0	0	0	0	110.4	T188 E378 N380 P381 Y385 V399 R401	T188-V383 WeakPolarHBondContact CB-O 3.42Å; T188-V383 WeakPolarHBondContact CG2-O 3.26Å; T188-V383 PolarHBondContact OG1-O 3.28Å; E378-V383 HydrophobicContact CG-CG2 4.42Å; E378-V383 WeakPolarHBondContact OE1-CG2 3.21Å; N380-V383 HydrophobicContact CB-CB 4.35Å; N380-V383 HydrophobicContact CB-CG2 3.83Å; N380-V383 PolarHBondContact O-N 3.22Å; P381-V383 VanDerWaalsContact C-N 3.34Å; V383-Y385 HydrophobicContact CG1-CD2 4.19Å; V383-Y385 HydrophobicContact CG1-CE2 3.71Å; V383-V399 HydrophobicContact CG1-CG1 3.89Å; V383-R401 HydrophobicContact CG2-CG 4.3Å
384	V	98.8	Very high	97.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.8	178.9	-176.9	0	0	0	0	109.9	A186 V187 V399 H400	A186-V384 HydrophobicContact CB-CG1 3.61Å; V187-V384 WeakPolarHBondContact O-CA 3.48Å; V384-V399 WeakPolarHBondContact O-CA 3.43Å; V384-H400 PolarHBondContact N-O 3.46Å; V384-H400 PolarHBondContact O-N 2.9Å
385	Y	98.7	Very high	97.5	Very high	17 Å²	17	40.2 Å²	40.2	7%	0.067	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	105.4	165.8	-64.6	-104.2	0	0	0	107.4	V187 E375 A376 V383 F387 Y397 S398 V399	V187-Y385 PolarHBondContact N-O 3.44Å; V187-Y385 PolarHBondContact O-N 2.86Å; E375-Y385 WeakPolarHBondContact O-CE1 3.32Å; A376-Y385 HydrophobicContact CB-CD1 4.21Å; A376-Y385 HydrophobicContact CB-CD2 3.66Å; A376-Y385 HydrophobicContact CB-CE2 4.01Å; A376-Y385 HydrophobicContact CB-CG 3.78Å; V383-Y385 HydrophobicContact CG1-CD2 4.19Å; V383-Y385 HydrophobicContact CG1-CE2 3.71Å; Y385-F387 WeakPolarHBondContact O-CD2 3.3Å; Y385-F387 PolarHBondContact O-N 2.97Å; Y385-Y397 AromaticContact CD1-CD2 3.93Å; Y385-Y397 HydrophobicContact CD1-CD2 3.93Å; Y385-Y397 AromaticContact CD1-CE2 3.94Å; Y385-Y397 HydrophobicContact CD1-CE2 3.94Å; Y385-Y397 HydrophobicContact CE1-CE2 4.32Å; Y385-S398 CarbonylContact C-O 3.46Å; Y385-S398 WeakPolarHBondContact CA-O 3.49Å; Y385-V399 HydrophobicContact CD1-CG2 3.74Å; Y385-V399 HydrophobicContact CE1-CG2 3.73Å
386	L	98.8	Very high	97.6	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.047	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	100.2	-179.7	-174.2	67	0	0	0	109.2	L184 A186 V199 Y397 S398 Y405	L184-L386 HydrophobicContact CB-CD1 4.09Å; L184-L386 HydrophobicContact CD2-CD2 4.45Å; L184-L386 HydrophobicContact CD2-CG 4.38Å; A186-L386 HydrophobicContact CB-CD1 4.17Å; V199-L386 HydrophobicContact CB-CD1 4.38Å; V199-L386 HydrophobicContact CG2-CD1 3.96Å; L386-Y397 VanDerWaalsContact O-CA 3.26Å; L386-Y397 WeakPolarHBondContact O-CA 3.36Å; L386-S398 PolarHBondContact N-O 2.98Å; L386-S398 PolarHBondContact O-N 2.77Å; L386-Y405 HydrophobicContact CD1-CD1 4.42Å; L386-Y405 HydrophobicContact CD2-CD1 4.26Å; L386-Y405 HydrophobicContact CD2-CD2 4.21Å; L386-Y405 HydrophobicContact CD2-CE1 3.95Å; L386-Y405 HydrophobicContact CD2-CE2 3.88Å; L386-Y405 HydrophobicContact CD2-CG 4.39Å
387	F	98.8	Very high	97.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.3	174.1	-69.3	-98.9	0	0	0	109.6	W183 L184 L185 V187 F368 F371 V372 E375 Y385 V395 T396 Y397	W183-F387 HydrophobicContact CZ3-CB 4.07Å; L184-F387 CarbonylContact C-O 3.56Å; L184-F387 WeakPolarHBondContact CA-O 3.37Å; L185-F387 HydrophobicContact CB-CB 4.5Å; L185-F387 PolarHBondContact N-O 2.84Å; L185-F387 PolarHBondContact O-N 3.27Å; V187-F387 HydrophobicContact CB-CD2 4.23Å; V187-F387 HydrophobicContact CB-CE2 4.04Å; V187-F387 HydrophobicContact CG2-CD2 3.62Å; V187-F387 HydrophobicContact CG2-CE2 3.78Å; F368-F387 HydrophobicContact CE2-CB 4.17Å; F368-F387 AromaticContact CE2-CD1 3.94Å; F368-F387 HydrophobicContact CE2-CD1 3.94Å; F368-F387 HydrophobicContact CE2-CG 4.15Å; F368-F387 HydrophobicContact CZ-CB 4.2Å; F368-F387 HydrophobicContact CZ-CD1 4.3Å; F368-F387 HydrophobicContact CZ-CG 4.14Å; F371-F387 HydrophobicContact CD1-CD1 4.05Å; F371-F387 AromaticContact CD1-CE1 3.64Å; F371-F387 HydrophobicContact CD1-CE1 3.64Å; F371-F387 AromaticContact CE1-CD1 3.84Å; F371-F387 HydrophobicContact CE1-CD1 3.84Å; F371-F387 AromaticContact CE1-CE1 3.56Å; F371-F387 HydrophobicContact CE1-CE1 3.56Å; F371-F387 HydrophobicContact CG-CE1 4.27Å; F371-F387 HydrophobicContact CZ-CE1 4.16Å; V372-F387 HydrophobicContact CB-CZ 4.23Å; V372-F387 HydrophobicContact CG1-CE2 4.34Å; V372-F387 HydrophobicContact CG1-CZ 4.45Å; V372-F387 HydrophobicContact CG2-CD1 4.44Å; V372-F387 HydrophobicContact CG2-CD2 4.34Å; V372-F387 HydrophobicContact CG2-CE1 4Å; V372-F387 HydrophobicContact CG2-CE2 3.89Å; V372-F387 HydrophobicContact CG2-CZ 3.72Å; E375-F387 HydrophobicContact CB-CZ 4.48Å; Y385-F387 WeakPolarHBondContact O-CD2 3.3Å; Y385-F387 PolarHBondContact O-N 2.97Å; F387-V395 HydrophobicContact CB-CG1 4.35Å; F387-V395 HydrophobicContact CD1-CG1 4.12Å; F387-T396 CarbonylContact C-O 3.5Å; F387-T396 WeakPolarHBondContact CA-O 3.33Å; F387-Y397 HydrophobicContact CE1-CD1 4.25Å; F387-Y397 HydrophobicContact CE1-CG 4.28Å; F387-Y397 HydrophobicContact CZ-CG 4.44Å
388	S	98.6	Very high	97.7	Very high	37 Å²	37	43 Å²	43	26%	0.259	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	137	-175.2	-174.5	0	0	0	0	110.5	L184 T396	L184-S388 VanDerWaalsContact CD2-OG 3.3Å; L184-S388 WeakPolarHBondContact CD2-OG 3.49Å; S388-T396 PolarHBondContact N-O 3.29Å; S388-T396 PolarHBondContact O-N 2.89Å
389	W	98.6	Very high	97.7	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.015	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	139.2	174.2	176.9	76.1	0	0	0	111.1	T63 T175 E178 E181 G182 W183 P391 N393 V395	T63-W389 VanDerWaalsContact CG2-CD1 3.41Å; T63-W389 HydrophobicContact CG2-CG 4.43Å; T63-W389 PolarHBondContact OG1-NE1 2.8Å; T175-W389 HydrophobicContact CG2-CD2 3.74Å; T175-W389 HydrophobicContact CG2-CE3 4.15Å; T175-W389 HydrophobicContact CG2-CG 4.23Å; T175-W389 HydrophobicContact CG2-CH2 4.16Å; T175-W389 HydrophobicContact CG2-CZ2 3.78Å; T175-W389 HydrophobicContact CG2-CZ3 4.33Å; E178-W389 HydrophobicContact CB-CH2 3.76Å; E178-W389 HydrophobicContact CB-CZ3 4.17Å; E178-W389 HydrophobicContact CG-CH2 3.98Å; E178-W389 HydrophobicContact CG-CZ3 4.02Å; E178-W389 WeakPolarHBondContact O-CH2 3.45Å; E181-W389 WeakPolarHBondContact O-CZ3 3.43Å; G182-W389 CarbonylContact C-O 3.58Å; G182-W389 WeakPolarHBondContact CA-O 3.26Å; W183-W389 AromaticContact CD1-CE3 3.4Å; W183-W389 AromaticContact CD1-CZ3 3.93Å; W183-W389 HydrophobicContact CD2-CB 3.94Å; W183-W389 AromaticContact CE2-CE3 3.97Å; W183-W389 HydrophobicContact CE3-CB 4.2Å; W183-W389 HydrophobicContact CG-CE3 4.2Å; W183-W389 HydrophobicContact CH2-CB 3.81Å; W183-W389 HydrophobicContact CZ2-CB 3.51Å; W183-W389 HydrophobicContact CZ2-CG 4.04Å; W183-W389 HydrophobicContact CZ3-CB 4.15Å; W183-W389 PolarHBondContact N-O 2.79Å; W183-W389 AromaticContact NE1-CD2 3.8Å; W183-W389 AromaticContact NE1-CE3 3.23Å; W183-W389 AromaticContact NE1-CZ3 3.93Å; W183-W389 PolarHBondContact O-N 2.54Å; W389-P391 HydrophobicContact CH2-CB 4.48Å; W389-P391 HydrophobicContact CH2-CG 4.14Å; W389-P391 HydrophobicContact CZ3-CG 4.47Å; W389-N393 VanDerWaalsContact CD1-O 3.28Å; W389-N393 PolarHBondContact NE1-O 3.18Å; W389-V395 HydrophobicContact CB-CG2 4.22Å; W389-V395 HydrophobicContact CG-CG2 4.31Å
390	E	98.2	Very high	97.8	Very high	80 Å²	80	42.3 Å²	42.3	37%	0.374	23%	0.229	S	C	.	.			trans	-127.7	150.5	170.2	-72.8	-63.6	159.8	0	0	108.8	H392 N393	E390-H392 PolarHBondContact O-N 2.83Å; E390-N393 WeakPolarHBondContact O-CB 3.41Å; E390-N393 PolarHBondContact O-N 3.17Å; E390-N393 VanDerWaalsContact O-N 3.08Å
391	P	97.3	Very high	97.8	Very high	21 Å²	21	46.4 Å²	46.4	14%	0.136	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45	137.2	177.5	-32.4	37.8	0	0	0	113.6	W389 N393	W389-P391 HydrophobicContact CH2-CB 4.48Å; W389-P391 HydrophobicContact CH2-CG 4.14Å; W389-P391 HydrophobicContact CZ3-CG 4.47Å; P391-N393 PolarHBondContact O-N 2.87Å; P391-N393 PolarHBondContact O-ND2 2.95Å
392	H	94.3	Very high	97.7	Very high	157 Å²	157	51.1 Å²	51.1	73%	0.727	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	3.2	179.9	-45.9	-69	0	0	0	116.4	E390	E390-H392 PolarHBondContact O-N 2.83Å
393	N	97	Very high	97.7	Very high	91 Å²	91	50.7 Å²	50.7	49%	0.487	26%	0.261	S	S	.	.	S	Bend	trans	-106.9	164.2	174.5	-62.4	-68.7	0	0	0	112.2	T63 W389 E390 P391	T63-N393 WeakPolarHBondContact CG2-O 3.29Å; T63-N393 PolarHBondContact OG1-O 3.45Å; W389-N393 VanDerWaalsContact CD1-O 3.28Å; W389-N393 PolarHBondContact NE1-O 3.18Å; E390-N393 WeakPolarHBondContact O-CB 3.41Å; E390-N393 PolarHBondContact O-N 3.17Å; E390-N393 VanDerWaalsContact O-N 3.08Å; P391-N393 PolarHBondContact O-N 2.87Å; P391-N393 PolarHBondContact O-ND2 2.95Å
394	D	98	Very high	97.5	Very high	58 Å²	58	60.1 Å²	60.1	31%	0.31	30%	0.297	S	S	.	.			trans	-77	153.8	167.1	-70	1.9	0	0	0	109.8	T60 L61 S62	T60-D394 PolarHBondContact OG1-OD2 3.25Å; L61-D394 CarbonylContact O-C 3.56Å; L61-D394 WeakPolarHBondContact O-CA 3.35Å; L61-D394 WeakPolarHBondContact O-CB 3.47Å; S62-D394 WeakPolarHBondContact CA-OD1 3.19Å
395	V	98.7	Very high	97.4	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-68.7	133.2	170.8	-173.8	0	0	0	0	108.8	T60 L61 T63 W183 F364 F368 F371 F387 W389	T60-V395 CarbonylContact C-O 3.57Å; T60-V395 VanDerWaalsContact CA-O 3.23Å; T60-V395 WeakPolarHBondContact CA-O 3.47Å; T60-V395 WeakPolarHBondContact CB-O 3.44Å; L61-V395 HydrophobicContact CB-CB 4.16Å; L61-V395 HydrophobicContact CD2-CG2 4.49Å; L61-V395 PolarHBondContact N-O 3.36Å; L61-V395 PolarHBondContact O-N 3.48Å; T63-V395 HydrophobicContact CG2-CG2 3.73Å; W183-V395 HydrophobicContact CH2-CG1 3.79Å; W183-V395 HydrophobicContact CH2-CG2 4.02Å; W183-V395 HydrophobicContact CZ2-CG2 4.15Å; W183-V395 HydrophobicContact CZ3-CG1 4.4Å; F364-V395 HydrophobicContact CE2-CG2 4.32Å; F364-V395 HydrophobicContact CZ-CG2 4.06Å; F368-V395 HydrophobicContact CD2-CG1 4.4Å; F368-V395 HydrophobicContact CE2-CG1 4.04Å; F371-V395 HydrophobicContact CE1-CB 4.48Å; F371-V395 HydrophobicContact CE1-CG1 4.24Å; F387-V395 HydrophobicContact CB-CG1 4.35Å; F387-V395 HydrophobicContact CD1-CG1 4.12Å; W389-V395 HydrophobicContact CB-CG2 4.22Å; W389-V395 HydrophobicContact CG-CG2 4.31Å
396	T	98.3	Very high	97.3	Very high	65 Å²	65	62.8 Å²	62.8	40%	0.399	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	170.9	173.4	59	0	0	0	0	109.7	T60 F387 S388	T60-T396 HydrophobicContact CG2-CG2 3.98Å; F387-T396 CarbonylContact C-O 3.5Å; F387-T396 WeakPolarHBondContact CA-O 3.33Å; S388-T396 PolarHBondContact N-O 3.29Å; S388-T396 PolarHBondContact O-N 2.89Å
397	Y	98.3	Very high	97.3	Very high	57 Å²	57	62.7 Å²	62.7	22%	0.224	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	159.1	171.9	73.4	-87	0	0	0	112.3	F371 E375 Y385 L386 F387 V399	F371-Y397 HydrophobicContact CE1-CD1 4.48Å; F371-Y397 HydrophobicContact CE2-CD1 4.33Å; F371-Y397 HydrophobicContact CE2-CE1 4.25Å; F371-Y397 AromaticContact CZ-CD1 3.78Å; F371-Y397 HydrophobicContact CZ-CD1 3.78Å; F371-Y397 HydrophobicContact CZ-CE1 4.11Å; E375-Y397 HydrophobicContact CB-CD1 4.48Å; E375-Y397 HydrophobicContact CB-CE1 3.88Å; E375-Y397 HydrophobicContact CB-CE2 4.39Å; E375-Y397 HydrophobicContact CG-CD1 4.29Å; E375-Y397 HydrophobicContact CG-CE1 3.6Å; E375-Y397 PolarHBondContact OE2-OH 3.03Å; Y385-Y397 AromaticContact CD1-CD2 3.93Å; Y385-Y397 HydrophobicContact CD1-CD2 3.93Å; Y385-Y397 AromaticContact CD1-CE2 3.94Å; Y385-Y397 HydrophobicContact CD1-CE2 3.94Å; Y385-Y397 HydrophobicContact CE1-CE2 4.32Å; L386-Y397 VanDerWaalsContact O-CA 3.26Å; L386-Y397 WeakPolarHBondContact O-CA 3.36Å; F387-Y397 HydrophobicContact CE1-CD1 4.25Å; F387-Y397 HydrophobicContact CE1-CG 4.28Å; F387-Y397 HydrophobicContact CZ-CG 4.44Å; Y397-V399 HydrophobicContact CD2-CG2 4.2Å; Y397-V399 HydrophobicContact CE2-CG2 3.99Å
398	S	98	Very high	97.2	Very high	51 Å²	51	63.2 Å²	63.2	36%	0.357	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	154.3	171.1	54.6	0	0	0	0	109.9	Y385 L386 H400	Y385-S398 CarbonylContact C-O 3.46Å; Y385-S398 WeakPolarHBondContact CA-O 3.49Å; L386-S398 PolarHBondContact N-O 2.98Å; L386-S398 PolarHBondContact O-N 2.77Å; S398-H400 PolarHBondContact OG-NE2 3.39Å
399	V	98.3	Very high	97.2	Very high	69 Å²	69	62.6 Å²	62.6	42%	0.418	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.6	-177.9	-173.6	0	0	0	0	109.8	V383 V384 Y385 Y397	V383-V399 HydrophobicContact CG1-CG1 3.89Å; V384-V399 WeakPolarHBondContact O-CA 3.43Å; Y385-V399 HydrophobicContact CD1-CG2 3.74Å; Y385-V399 HydrophobicContact CE1-CG2 3.73Å; Y397-V399 HydrophobicContact CD2-CG2 4.2Å; Y397-V399 HydrophobicContact CE2-CG2 3.99Å
400	H	98.2	Very high	97.1	Very high	52 Å²	52	67.6 Å²	67.6	24%	0.241	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.5	-179.1	-57.1	-97.6	0	0	0	109.7	V384 S398 S403 Y405	V384-H400 PolarHBondContact N-O 3.46Å; V384-H400 PolarHBondContact O-N 2.9Å; S398-H400 PolarHBondContact OG-NE2 3.39Å; H400-S403 WeakPolarHBondContact CB-OG 3.4Å; H400-Y405 HydrophobicContact CB-CD2 4.25Å; H400-Y405 AromaticContact CE1-CE2 3.7Å; H400-Y405 AromaticContact CG-CD2 3.74Å; H400-Y405 AromaticContact ND1-CD2 3.77Å; H400-Y405 AromaticContact ND1-CE2 3.73Å
401	R	97.6	Very high	97.1	Very high	137 Å²	137	68.1 Å²	68.1	52%	0.517	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.5	177	-60.6	-174.1	178	-85.7	-6.7	109.4	E378 S382 V383 S403	E378-R401 IonicContact OE1-CZ 3.7Å; E378-R401 IonicContact OE1-NH1 3.57Å; E378-R401 PolarHBondContact OE1-NH1 3.24Å; E378-R401 IonicContact OE1-NH2 2.9Å; E378-R401 IonicContact OE2-CZ 3.68Å; E378-R401 IonicContact OE2-NH1 2.75Å; E378-R401 PolarHBondContact OE2-NH1 2.92Å; E378-R401 IonicContact OE2-NH2 3.7Å; E378-R401 PolarHBondContact OE2-NH2 3.35Å; S382-R401 WeakPolarHBondContact O-CA 3.46Å; V383-R401 HydrophobicContact CG2-CG 4.3Å; R401-S403 PolarHBondContact O-N 2.75Å; R401-S403 VanDerWaalsContact O-N 3.11Å
402	D	93.8	Very high	97	Very high	127 Å²	127	67.1 Å²	67.1	68%	0.679	33%	0.328	S	S	*	.	S	Bend	trans	49.1	44	175.6	-55.7	-64.3	0	0	0	112	S382	S382-D402 WeakPolarHBondContact CB-OD1 3.5Å; S382-D402 PolarHBondContact O-N 2.93Å; S382-D402 PolarHBondContact OG-OD1 3.25Å
403	S	94.5	Very high	97.1	Very high	31 Å²	31	61.3 Å²	61.3	22%	0.217	30%	0.302	C	S	.	.	S	Bend	trans	-109.5	170.3	-169.2	79.7	0	0	0	0	112	H400 R401 Y405 S406	H400-S403 WeakPolarHBondContact CB-OG 3.4Å; R401-S403 PolarHBondContact O-N 2.75Å; R401-S403 VanDerWaalsContact O-N 3.11Å; S403-Y405 PolarHBondContact O-N 3.2Å; S403-Y405 PolarHBondContact OG-N 3.1Å; S403-Y405 VanDerWaalsContact OG-N 3.15Å; S403-S406 WeakPolarHBondContact O-CB 3.41Å; S403-S406 PolarHBondContact O-N 3.06Å; S403-S406 PolarHBondContact O-OG 3.42Å
404	R	94.4	Very high	97	Very high	200 Å²	200	63 Å²	63	76%	0.755	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-17.8	171.8	75.6	-179.8	-154.4	-148.3	6.3	114.1	S406	R404-S406 VanDerWaalsContact C-N 3.31Å
405	Y	97.1	Very high	96.8	Very high	39 Å²	39	63.4 Å²	63.4	15%	0.153	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-13	178.5	-57.5	-61.2	0	0	0	112.6	V199 L386 H400 S403 F407	V199-Y405 HydrophobicContact CG1-CD1 3.97Å; V199-Y405 HydrophobicContact CG1-CE1 3.89Å; V199-Y405 HydrophobicContact CG2-CD1 4.11Å; L386-Y405 HydrophobicContact CD1-CD1 4.42Å; L386-Y405 HydrophobicContact CD2-CD1 4.26Å; L386-Y405 HydrophobicContact CD2-CD2 4.21Å; L386-Y405 HydrophobicContact CD2-CE1 3.95Å; L386-Y405 HydrophobicContact CD2-CE2 3.88Å; L386-Y405 HydrophobicContact CD2-CG 4.39Å; H400-Y405 HydrophobicContact CB-CD2 4.25Å; H400-Y405 AromaticContact CE1-CE2 3.7Å; H400-Y405 AromaticContact CG-CD2 3.74Å; H400-Y405 AromaticContact ND1-CD2 3.77Å; H400-Y405 AromaticContact ND1-CE2 3.73Å; S403-Y405 PolarHBondContact O-N 3.2Å; S403-Y405 PolarHBondContact OG-N 3.1Å; S403-Y405 VanDerWaalsContact OG-N 3.15Å; Y405-F407 WeakPolarHBondContact O-CD1 3.17Å; Y405-F407 PolarHBondContact O-N 3.26Å
406	S	97.1	Very high	96.4	Very high	33 Å²	33	63.6 Å²	63.6	23%	0.231	31%	0.306	C	S	.	.			trans	-59.4	132.2	173.6	-60.1	0	0	0	0	109.7	K131 S403 R404	K131-S406 PolarHBondContact NZ-O 3.25Å; S403-S406 WeakPolarHBondContact O-CB 3.41Å; S403-S406 PolarHBondContact O-N 3.06Å; S403-S406 PolarHBondContact O-OG 3.42Å; R404-S406 VanDerWaalsContact C-N 3.31Å
407	F	97.8	Very high	95.9	Very high	7 Å²	7	64.8 Å²	64.8	3%	0.031	31%	0.313	C	S	.	.			trans	-134.9	-12.4	-169.7	66.1	-94.6	0	0	0	114.6	K131 L132 A186 T188 Y195 Y405 P409	K131-F407 HydrophobicContact CD-CB 3.43Å; K131-F407 VanDerWaalsContact CD-CB 3.43Å; L132-F407 HydrophobicContact CD1-CD2 4.1Å; L132-F407 HydrophobicContact CD1-CE2 3.68Å; L132-F407 HydrophobicContact CG-CD2 4.39Å; L132-F407 HydrophobicContact CG-CE2 4.43Å; A186-F407 HydrophobicContact CB-CD1 3.8Å; A186-F407 HydrophobicContact CB-CE1 3.83Å; A186-F407 WeakPolarHBondContact O-CE1 3.35Å; T188-F407 WeakPolarHBondContact OG1-CE1 3.48Å; Y195-F407 WeakPolarHBondContact O-CZ 3.5Å; Y405-F407 WeakPolarHBondContact O-CD1 3.17Å; Y405-F407 PolarHBondContact O-N 3.26Å; F407-P409 WeakPolarHBondContact O-CD 3.45Å
408	L	98	Very high	95	Very high	12 Å²	12	69.5 Å²	69.5	6%	0.063	33%	0.331	C	S	.	.	S	Bend	trans	-76.9	119.6	169.3	-65.9	-175.9	0	0	0	108.6	L136 T188 F190 Y195 P381 Y412 I413	L136-L408 HydrophobicContact CD1-CD2 3.94Å; L136-L408 HydrophobicContact CD2-CD2 4.34Å; T188-L408 HydrophobicContact CG2-CD1 3.81Å; T188-L408 HydrophobicContact CG2-CG 4.41Å; F190-L408 HydrophobicContact CB-CD1 3.58Å; F190-L408 HydrophobicContact CD1-CD1 3.97Å; F190-L408 HydrophobicContact CG-CD1 3.99Å; Y195-L408 HydrophobicContact CD1-CD2 3.93Å; Y195-L408 HydrophobicContact CD2-CD1 3.99Å; Y195-L408 HydrophobicContact CD2-CD2 4.28Å; Y195-L408 HydrophobicContact CE1-CD2 4.46Å; Y195-L408 HydrophobicContact CE2-CD1 4.35Å; Y195-L408 HydrophobicContact CG-CD1 4.37Å; Y195-L408 HydrophobicContact CG-CD2 3.85Å; P381-L408 HydrophobicContact CB-CD1 4.24Å; L408-Y412 HydrophobicContact CD2-CD1 4.36Å; L408-I413 HydrophobicContact CB-CD1 4.18Å; L408-I413 HydrophobicContact CB-CG1 4.19Å
409	P	97.4	Very high	93	Very high	24 Å²	24	71.9 Å²	71.9	16%	0.156	35%	0.347	C	S	.	.			trans	-80.6	150.8	-177	31.9	-34.2	0	0	0	111.7	L136 F407 W411 Y412 I413	L136-P409 HydrophobicContact CD1-CG 4.2Å; F407-P409 WeakPolarHBondContact O-CD 3.45Å; P409-W411 HydrophobicContact CB-CD2 4.41Å; P409-W411 HydrophobicContact CB-CG 4.29Å; P409-W411 HydrophobicContact CB-CZ2 4.39Å; P409-W411 VanDerWaalsContact CB-NE1 3.28Å; P409-W411 HydrophobicContact CG-CD2 3.9Å; P409-W411 HydrophobicContact CG-CG 4.29Å; P409-W411 HydrophobicContact CG-CH2 4.18Å; P409-W411 HydrophobicContact CG-CZ2 3.38Å; P409-W411 VanDerWaalsContact CG-NE1 3.25Å; P409-W411 PolarHBondContact O-N 3.37Å; P409-W411 VanDerWaalsContact O-N 3.11Å; P409-Y412 WeakPolarHBondContact O-CB 3.35Å; P409-Y412 PolarHBondContact O-N 3.25Å; P409-I413 PolarHBondContact O-N 3.31Å; P409-I413 VanDerWaalsContact O-N 3.13Å
410	D	97	Very high	91	Very high	109 Å²	109	73.4 Å²	73.4	58%	0.583	36%	0.358	S	S	*	.	H	α-helix	trans	-52.2	-37.4	-179.3	-73.5	2.6	0	0	0	113.8	Y412 I413 K414	D410-Y412 VanDerWaalsContact C-N 3.27Å; D410-Y412 PolarHBondContact O-N 3.04Å; D410-I413 PolarHBondContact O-N 3.22Å; D410-K414 VanDerWaalsContact O-CB 3.29Å; D410-K414 WeakPolarHBondContact O-CB 3.27Å; D410-K414 WeakPolarHBondContact O-CD 3.46Å; D410-K414 WeakPolarHBondContact O-CG 3.41Å; D410-K414 PolarHBondContact O-N 2.99Å
411	W	97.2	Very high	88.4	Confident	91 Å²	91	83.6 Å²	83.6	35%	0.345	41%	0.406	S	S	.	.	H	α-helix	trans	-63.5	-35.4	179	60.2	-102.9	0	0	0	111.8	D133 L136 R137 I140 P409 E415	D133-W411 HydrophobicContact CB-CZ2 4.35Å; L136-W411 HydrophobicContact CB-CH2 3.52Å; L136-W411 HydrophobicContact CB-CZ2 4.38Å; L136-W411 HydrophobicContact CB-CZ3 4.16Å; R137-W411 HydrophobicContact CB-CH2 4.45Å; R137-W411 HydrophobicContact CG-CH2 3.63Å; R137-W411 HydrophobicContact CG-CZ2 4.15Å; R137-W411 HydrophobicContact CG-CZ3 4.12Å; I140-W411 HydrophobicContact CD1-CE3 3.5Å; I140-W411 VanDerWaalsContact CD1-CE3 3.5Å; I140-W411 HydrophobicContact CD1-CZ3 3.37Å; I140-W411 HydrophobicContact CG1-CZ3 4.35Å; P409-W411 HydrophobicContact CB-CD2 4.41Å; P409-W411 HydrophobicContact CB-CG 4.29Å; P409-W411 HydrophobicContact CB-CZ2 4.39Å; P409-W411 VanDerWaalsContact CB-NE1 3.28Å; P409-W411 HydrophobicContact CG-CD2 3.9Å; P409-W411 HydrophobicContact CG-CG 4.29Å; P409-W411 HydrophobicContact CG-CH2 4.18Å; P409-W411 HydrophobicContact CG-CZ2 3.38Å; P409-W411 VanDerWaalsContact CG-NE1 3.25Å; P409-W411 PolarHBondContact O-N 3.37Å; P409-W411 VanDerWaalsContact O-N 3.11Å; W411-E415 WeakPolarHBondContact O-CB 3.22Å; W411-E415 PolarHBondContact O-N 2.94Å
412	Y	97.1	Very high	87.9	Confident	0 Å²	0	81 Å²	81	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-74.5	-45.7	177.8	-177.6	-102.9	0	0	0	110.9	L136 I139 I140 F190 Y195 L408 P409 D410 K414 E415 M416	L136-Y412 HydrophobicContact CB-CD2 3.72Å; L136-Y412 HydrophobicContact CB-CE2 4.02Å; L136-Y412 HydrophobicContact CB-CG 4.2Å; L136-Y412 HydrophobicContact CD1-CD1 4.34Å; L136-Y412 HydrophobicContact CD1-CG 4.17Å; L136-Y412 HydrophobicContact CD2-CD1 4.12Å; L136-Y412 HydrophobicContact CD2-CD2 4.07Å; L136-Y412 HydrophobicContact CD2-CE1 3.82Å; L136-Y412 HydrophobicContact CD2-CE2 3.78Å; L136-Y412 HydrophobicContact CD2-CG 4.24Å; L136-Y412 HydrophobicContact CG-CD2 4.29Å; L136-Y412 HydrophobicContact CG-CE2 4.42Å; L136-Y412 HydrophobicContact CG-CG 4.42Å; I139-Y412 HydrophobicContact CB-CE2 4.31Å; I139-Y412 HydrophobicContact CG2-CE2 4.05Å; I140-Y412 HydrophobicContact CD1-CD2 3.92Å; I140-Y412 HydrophobicContact CG1-CD2 3.88Å; I140-Y412 HydrophobicContact CG1-CE2 4.13Å; F190-Y412 HydrophobicContact CD1-CD1 4.43Å; F190-Y412 HydrophobicContact CD1-CE1 4.08Å; F190-Y412 HydrophobicContact CE1-CD1 4.23Å; F190-Y412 HydrophobicContact CE1-CE1 4.1Å; Y195-Y412 AromaticContact CE1-CE1 3.9Å; Y195-Y412 HydrophobicContact CE1-CE1 3.9Å; Y195-Y412 AromaticContact CE1-CZ 3.99Å; Y195-Y412 WeakPolarHBondContact CE1-OH 3.47Å; Y195-Y412 AromaticContact CZ-CE1 3.8Å; Y195-Y412 PolarHBondContact OH-OH 3.08Å; L408-Y412 HydrophobicContact CD2-CD1 4.36Å; P409-Y412 WeakPolarHBondContact O-CB 3.35Å; P409-Y412 PolarHBondContact O-N 3.25Å; D410-Y412 VanDerWaalsContact C-N 3.27Å; D410-Y412 PolarHBondContact O-N 3.04Å; Y412-K414 PolarHBondContact O-N 3.18Å; Y412-E415 PolarHBondContact O-N 3.34Å; Y412-M416 HydrophobicContact CD1-CG 4.17Å; Y412-M416 HydrophobicContact CD2-CG 4.02Å; Y412-M416 HydrophobicContact CE1-CG 3.8Å; Y412-M416 HydrophobicContact CE2-CG 3.63Å; Y412-M416 HydrophobicContact CE2-SD 4.08Å; Y412-M416 HydrophobicContact CG-CG 4.28Å; Y412-M416 WeakPolarHBondContact O-CB 3.41Å; Y412-M416 VanDerWaalsContact O-CG 3.28Å; Y412-M416 WeakPolarHBondContact O-CG 3.21Å; Y412-M416 PolarHBondContact O-N 3.35Å
413	I	96	Very high	87.6	Confident	35 Å²	35	78.5 Å²	78.5	18%	0.179	39%	0.386	C	S	.	.	H	α-helix	trans	-58.4	-51.8	178.9	-63.1	165.5	0	0	0	109.7	F190 P381 L408 P409 D410 E415 M416 T417	F190-I413 HydrophobicContact CE1-CG1 4.4Å; F190-I413 HydrophobicContact CE2-CG2 4.04Å; F190-I413 HydrophobicContact CZ-CB 4.18Å; F190-I413 HydrophobicContact CZ-CG1 4.35Å; F190-I413 HydrophobicContact CZ-CG2 3.84Å; P381-I413 HydrophobicContact CB-CD1 3.63Å; P381-I413 HydrophobicContact CB-CG1 4.03Å; P381-I413 HydrophobicContact CG-CD1 4Å; P381-I413 HydrophobicContact CG-CG1 4.37Å; P381-I413 HydrophobicContact CG-CG2 4.26Å; L408-I413 HydrophobicContact CB-CD1 4.18Å; L408-I413 HydrophobicContact CB-CG1 4.19Å; P409-I413 PolarHBondContact O-N 3.31Å; P409-I413 VanDerWaalsContact O-N 3.13Å; D410-I413 PolarHBondContact O-N 3.22Å; I413-E415 VanDerWaalsContact C-N 3.33Å; I413-E415 PolarHBondContact O-N 3.05Å; I413-M416 PolarHBondContact O-N 2.56Å; I413-T417 WeakPolarHBondContact O-CB 3.34Å; I413-T417 PolarHBondContact O-N 2.97Å; I413-T417 PolarHBondContact O-OG1 2.92Å
414	K	94.9	Very high	87.2	Confident	126 Å²	126	81.2 Å²	81.2	55%	0.548	40%	0.395	S	S	.	.	H	α-helix	trans	-57	-45.9	179.6	-73.6	168.9	-175.8	170.4	0	111.9	D410 Y412 R418	D410-K414 VanDerWaalsContact O-CB 3.29Å; D410-K414 WeakPolarHBondContact O-CB 3.27Å; D410-K414 WeakPolarHBondContact O-CD 3.46Å; D410-K414 WeakPolarHBondContact O-CG 3.41Å; D410-K414 PolarHBondContact O-N 2.99Å; Y412-K414 PolarHBondContact O-N 3.18Å; K414-R418 WeakPolarHBondContact O-CG 3.22Å; K414-R418 PolarHBondContact O-N 3.41Å
415	E	93.1	Very high	86.8	Confident	67 Å²	67	74.2 Å²	74.2	31%	0.313	37%	0.374	S	S	.	.	H	α-helix	trans	-70.7	-37.7	-176.8	-164	60.1	-161.9	0	0	112.6	I140 R143 W411 Y412 I413 R418	I140-E415 HydrophobicContact CD1-CB 3.82Å; I140-E415 HydrophobicContact CD1-CG 3.95Å; I140-E415 HydrophobicContact CG1-CB 4.43Å; I140-E415 HydrophobicContact CG1-CG 4.26Å; I140-E415 HydrophobicContact CG2-CG 3.93Å; R143-E415 PolarHBondContact NH1-O 3.48Å; W411-E415 WeakPolarHBondContact O-CB 3.22Å; W411-E415 PolarHBondContact O-N 2.94Å; Y412-E415 PolarHBondContact O-N 3.34Å; I413-E415 VanDerWaalsContact C-N 3.33Å; I413-E415 PolarHBondContact O-N 3.05Å; E415-R418 PolarHBondContact O-N 3.28Å; E415-R418 IonicContact OE2-CZ 3.85Å; E415-R418 IonicContact OE2-NH1 2.9Å; E415-R418 PolarHBondContact OE2-NH1 3.22Å
416	M	90.2	Very high	86.1	Confident	4 Å²	4	76.4 Å²	76.4	2%	0.02	39%	0.388	C	S	.	.	H	α-helix	trans	-76.4	-23.8	178.7	-67.8	-62.5	-72.3	0	0	113.3	I139 R143 P157 L158 F190 Y412 I413	I139-M416 HydrophobicContact CG2-CE 4.47Å; I139-M416 HydrophobicContact CG2-SD 4.44Å; R143-M416 PolarHBondContact NH2-O 3.44Å; P157-M416 HydrophobicContact CB-CE 3.9Å; L158-M416 HydrophobicContact CD1-CE 4.13Å; L158-M416 HydrophobicContact CD2-CE 3.98Å; L158-M416 HydrophobicContact CG-CE 3.87Å; F190-M416 HydrophobicContact CE1-CB 3.74Å; F190-M416 HydrophobicContact CE1-CG 4.41Å; F190-M416 HydrophobicContact CZ-CB 4.12Å; Y412-M416 HydrophobicContact CD1-CG 4.17Å; Y412-M416 HydrophobicContact CD2-CG 4.02Å; Y412-M416 HydrophobicContact CE1-CG 3.8Å; Y412-M416 HydrophobicContact CE2-CG 3.63Å; Y412-M416 HydrophobicContact CE2-SD 4.08Å; Y412-M416 HydrophobicContact CG-CG 4.28Å; Y412-M416 WeakPolarHBondContact O-CB 3.41Å; Y412-M416 VanDerWaalsContact O-CG 3.28Å; Y412-M416 WeakPolarHBondContact O-CG 3.21Å; Y412-M416 PolarHBondContact O-N 3.35Å; I413-M416 PolarHBondContact O-N 2.56Å
417	T	88	Confident	85.4	Confident	89 Å²	89	79.3 Å²	79.3	55%	0.546	40%	0.399	S	S	.	.	H	α-helix	trans	-79	-26.1	173.1	-60.7	0	0	0	0	112.5	I413 S419	I413-T417 WeakPolarHBondContact O-CB 3.34Å; I413-T417 PolarHBondContact O-N 2.97Å; I413-T417 PolarHBondContact O-OG1 2.92Å; T417-S419 PolarHBondContact O-N 3.23Å
418	R	79.4	Confident	84.5	Confident	157 Å²	157	84.4 Å²	84.4	59%	0.592	43%	0.425	S	S	*	.	S	Bend	trans	-62.8	126.6	171	-72.7	166.8	178.1	178.8	-9.2	109.3	R143 K414 E415	R143-R418 PolarHBondContact NH1-O 2.94Å; R143-R418 VanDerWaalsContact NH1-O 3.17Å; R143-R418 PolarHBondContact NH2-O 3.16Å; R143-R418 VanDerWaalsContact NH2-O 3.13Å; K414-R418 WeakPolarHBondContact O-CG 3.22Å; K414-R418 PolarHBondContact O-N 3.41Å; E415-R418 PolarHBondContact O-N 3.28Å; E415-R418 IonicContact OE2-CZ 3.85Å; E415-R418 IonicContact OE2-NH1 2.9Å; E415-R418 PolarHBondContact OE2-NH1 3.22Å
419	S	56.9	Low	83.5	Confident	101 Å²	101	90 Å²	90	71%	0.706	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-57	140.9	169	-62.3	0	0	0	0	108.7	T417 E421	T417-S419 PolarHBondContact O-N 3.23Å; S419-E421 PolarHBondContact O-N 3.2Å
420	P	56.1	Low	82.3	Confident	100 Å²	100	95.5 Å²	95.5	65%	0.649	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-58.4	124	170.9	-7.7	20.1	0	0	0	108.1
421	E	42	Very low	81	Confident	267 Å²	267	94.3 Å²	94.3	100%	1.248	47%	0.468	S	S	*	.			trans	-64.9	0	167.3	-74.3	-175.2	168.3	0	0	111.5	S419	S419-E421 PolarHBondContact O-N 3.2Å

Retrieved 421 of 421 residues in 155.9 ms (Link to these results)

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