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Trifunctional enzyme subunit beta, mitochondrial

Mitochondrial trifunctional enzyme catalyzes the last three of the four reactions of the mitochondrial beta-oxidation pathway. The mitochondrial beta-oxidation pathway is the major energy-producing process in tissues and is performed through four consecutive reactions breaking down fatty acids into acetyl-CoA. Among the enzymes involved in this pathway, the trifunctional enzyme exhibits specificity for long-chain fatty acids. Mitochondrial trifunctional enzyme is a heterotetrameric complex composed of two proteins, the trifunctional enzyme subunit alpha/HADHA carries the 2,3-enoyl-CoA hydratase and the 3-hydroxyacyl-CoA dehydrogenase activities, while the trifunctional enzyme subunit beta/HADHB described here bears the 3-ketoacyl-CoA thiolase activity.

AlphaFold DB , UniProt , Accession A0A087YD73, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 473 aa.

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(Predicted Aligned Error values between residue pairs)

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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	37.3	Very low	33.3	Very low	250 Å²	250	154.4 Å²	154.4	100%	1.232	83%	0.83	S	S	*	*				0	135.2	0	-77.6	-167.7	-147.9	0	0	108.3
2	A	31.8	Very low	32.8	Very low	102 Å²	102	152.2 Å²	152.2	84%	0.843	83%	0.833	S	S	*	*			trans	-74.2	159.8	-166.9	0	0	0	0	0	114.7
3	S	32.8	Very low	32.6	Very low	108 Å²	108	146.8 Å²	146.8	76%	0.755	82%	0.822	S	S	*	*				164.8	101.8	127.6	-176.6	0	0	0	0	108.4
4	M	34.9	Very low	32.6	Very low	159 Å²	159	146.9 Å²	146.9	78%	0.783	83%	0.827	S	S	*	*				62.2	108.5	91.9	-82.1	-166.8	155	0	0	112.4
5	L	36.1	Very low	32.4	Very low	132 Å²	132	142.1 Å²	142.1	69%	0.691	82%	0.823	S	S	*	*				104	123.4	72.1	-94.9	173.1	0	0	0	109.9
6	L	33.5	Very low	32.4	Very low	157 Å²	157	144.3 Å²	144.3	82%	0.822	82%	0.823	S	S	*	*				163.7	113.2	120.8	-90.2	142.2	0	0	0	112.3
7	N	32.1	Very low	32.3	Very low	138 Å²	138	142.9 Å²	142.9	74%	0.738	83%	0.825	S	S	*	*				15.6	146.8	124.9	-84.3	-7.3	0	0	0	118.3
8	T	32.8	Very low	32.1	Very low	117 Å²	117	147.1 Å²	147.1	72%	0.718	83%	0.825	S	S	*	*			cis	-173.2	147.6	25.9	3.4	0	0	0	0	110.6
9	M	30.5	Very low	32.2	Very low	164 Å²	164	144.4 Å²	144.4	81%	0.808	82%	0.824	S	S	*	*			trans	22.5	126.9	145.6	-68.6	-161.2	171.5	0	0	124.3
10	R	32.8	Very low	32.3	Very low	226 Å²	226	143.7 Å²	143.7	85%	0.853	82%	0.822	S	S	*	*				48.8	125.8	126	-69.7	-176.5	173.9	-156.5	-1.6	120.6
11	T	31.7	Very low	32.4	Very low	145 Å²	145	148.2 Å²	148.2	89%	0.89	83%	0.825	S	S	*	*				-161.5	137.3	125.7	33.3	0	0	0	0	111.8
12	C	27.6	Very low	32.2	Very low	128 Å²	128	141.7 Å²	141.7	87%	0.865	81%	0.805	S	S	*	*			trans	-66.1	168	159.7	-58.7	0	0	0	0	109.1
13	A	30.1	Very low	32.4	Very low	83 Å²	83	143 Å²	143	69%	0.686	80%	0.802	S	S	*	*			cis	-174.7	163.1	26.2	0	0	0	0	0	109.5
14	V	33.1	Very low	32.5	Very low	147 Å²	147	142.3 Å²	142.3	89%	0.891	80%	0.803	S	S	*	*			trans	62.7	124.3	145.8	-173.2	0	0	0	0	120.8
15	G	29.4	Very low	32.4	Very low	75 Å²	75	146 Å²	146	77%	0.773	81%	0.808	S	S	*	*			trans	179.1	105	155.3	0	0	0	0	0	112.2
16	Q	31.5	Very low	32.3	Very low	177 Å²	177	145.2 Å²	145.2	83%	0.827	81%	0.814	S	S	*	*			trans	-66.6	150.1	-173.9	-67.7	167.5	-43.5	0	0	114.7
17	S	30.5	Very low	32.4	Very low	121 Å²	121	145.7 Å²	145.7	85%	0.846	82%	0.816	S	S	*	*			trans	-160.4	132.6	134.6	-178.2	0	0	0	0	111
18	W	29.5	Very low	32.6	Very low	218 Å²	218	143.8 Å²	143.8	83%	0.826	81%	0.814	S	S	*	*			trans	-81.1	139.6	-177.9	-81.8	39.2	0	0	0	112.1
19	A	34.4	Very low	32.8	Very low	97 Å²	97	144.6 Å²	144.6	80%	0.802	82%	0.818	S	S	*	*			trans	-156.6	109.3	149.7	0	0	0	0	0	110.9
20	V	33.4	Very low	33.1	Very low	130 Å²	130	141.7 Å²	141.7	79%	0.788	81%	0.81	S	S	*	*			trans	-67.3	122.1	175.1	177	0	0	0	0	109.4
21	R	34.7	Very low	33.2	Very low	238 Å²	238	136.8 Å²	136.8	90%	0.898	81%	0.806	S	S	*	*			trans	-98.8	109.6	168.4	-81.4	-172.9	177.7	-150.9	-0.2	110
22	S	32.9	Very low	33.4	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	80%	0.798	S	S	*	*			trans	-68.4	128.7	167.8	179.4	0	0	0	0	110.2
23	V	35.8	Very low	33.8	Very low	130 Å²	130	139 Å²	139	79%	0.788	80%	0.797	S	S	*	*			trans	-93.9	101.8	174	176.8	0	0	0	0	107.8	R25	V23-R25 PolarHBondContact O-N 2.92Å
24	A	34.5	Very low	34	Very low	93 Å²	93	142.4 Å²	142.4	77%	0.769	80%	0.799	S	S	*	*			trans	-80.4	109.7	169.1	0	0	0	0	0	109.3	S26	A24-S26 PolarHBondContact O-N 3.06Å
25	R	34.6	Very low	34.1	Very low	235 Å²	235	139.5 Å²	139.5	89%	0.887	79%	0.79	S	S	*	*			trans	-75.8	114.2	164.2	-82.7	-180	173.4	-176.6	-2.2	108.4	V23 L27	V23-R25 PolarHBondContact O-N 2.92Å; R25-L27 PolarHBondContact O-N 3.39Å
26	S	33.5	Very low	34.2	Very low	117 Å²	117	143.9 Å²	143.9	82%	0.818	79%	0.791	S	S	*	*			trans	-77.3	114	166.9	49.7	0	0	0	0	109.5	A24 S28	A24-S26 PolarHBondContact O-N 3.06Å; S26-S28 PolarHBondContact O-N 3.02Å
27	L	35.7	Very low	34.5	Very low	167 Å²	167	141.4 Å²	141.4	87%	0.874	79%	0.788	S	S	*	*			trans	-79.7	100.7	165.5	-78.8	158.5	0	0	0	107.7	R25 T29	R25-L27 PolarHBondContact O-N 3.39Å; L27-T29 PolarHBondContact O-N 3.34Å
28	S	34.8	Very low	34.6	Very low	98 Å²	98	143.6 Å²	143.6	69%	0.685	78%	0.784	S	S	*	*			trans	-84.6	99.1	169.3	-175.3	0	0	0	0	108.9	S26 T30	S26-S28 PolarHBondContact O-N 3.02Å; S28-T30 VanDerWaalsContact C-N 3.31Å; S28-T30 PolarHBondContact O-N 3Å; S28-T30 VanDerWaalsContact O-N 3.15Å; S28-T30 PolarHBondContact OG-OG1 3.38Å
29	T	38.1	Very low	35.1	Very low	133 Å²	133	139.3 Å²	139.3	82%	0.816	78%	0.782	S	S	*	*			trans	-79.9	83.1	164.8	42.4	0	0	0	0	108.8	L27	L27-T29 PolarHBondContact O-N 3.34Å
30	T	36	Very low	35.8	Very low	103 Å²	103	142.2 Å²	142.2	63%	0.632	78%	0.777	S	S	*	*			trans	-92.7	94.4	166.5	-30.5	0	0	0	0	107.5	S28 Q32	S28-T30 VanDerWaalsContact C-N 3.31Å; S28-T30 PolarHBondContact O-N 3Å; S28-T30 VanDerWaalsContact O-N 3.15Å; S28-T30 PolarHBondContact OG-OG1 3.38Å; T30-Q32 VanDerWaalsContact C-N 3.27Å; T30-Q32 PolarHBondContact O-N 3.4Å
31	T	35.8	Very low	36.9	Very low	124 Å²	124	141.8 Å²	141.8	76%	0.761	78%	0.78	S	S	*	*			trans	-66.3	92.1	168.1	-24.9	0	0	0	0	107	L33	T31-L33 VanDerWaalsContact C-N 3.26Å; T31-L33 PolarHBondContact O-N 2.97Å
32	Q	35.8	Very low	38.5	Very low	154 Å²	154	134.5 Å²	134.5	72%	0.72	76%	0.755	S	S	*	*			trans	-65.7	95.5	164.5	-78.7	-176.3	-12.2	0	0	106.8	T30 Q34	T30-Q32 VanDerWaalsContact C-N 3.27Å; T30-Q32 PolarHBondContact O-N 3.4Å; Q32-Q34 PolarHBondContact O-N 3.13Å
33	L	34.8	Very low	40.5	Very low	164 Å²	164	136.4 Å²	136.4	86%	0.859	75%	0.749	S	S	*	*			trans	-62.1	80.4	153.3	-92.9	147	0	0	0	106.4	T31 A35	T31-L33 VanDerWaalsContact C-N 3.26Å; T31-L33 PolarHBondContact O-N 2.97Å; L33-A35 VanDerWaalsContact C-N 3.26Å; L33-A35 PolarHBondContact O-N 3.37Å
34	Q	35.6	Very low	42.5	Very low	155 Å²	155	134.8 Å²	134.8	72%	0.724	74%	0.739	S	S	*	*			trans	-59.5	102.9	155.7	-76.7	-178.7	-16.9	0	0	104.7	Q32 Q36	Q32-Q34 PolarHBondContact O-N 3.13Å; Q34-Q36 PolarHBondContact O-N 2.77Å
35	A	34	Very low	45.2	Very low	86 Å²	86	131.2 Å²	131.2	71%	0.711	71%	0.707	S	S	*	*			trans	-54.7	101.4	159.7	0	0	0	0	0	105.4	L33 V37	L33-A35 VanDerWaalsContact C-N 3.26Å; L33-A35 PolarHBondContact O-N 3.37Å; A35-V37 PolarHBondContact O-N 3.37Å
36	Q	33	Very low	47.7	Very low	168 Å²	168	122 Å²	122	79%	0.785	68%	0.681	S	S	*	*			trans	-57.9	100.5	163.7	-77.7	-176.4	-22.5	0	0	104.6	Q34 Q38	Q34-Q36 PolarHBondContact O-N 2.77Å; Q36-Q38 PolarHBondContact O-N 3.07Å
37	V	36.3	Very low	50.2	Low	125 Å²	125	121.3 Å²	121.3	76%	0.758	66%	0.661	S	S	*	*			trans	-60.1	94.8	158.8	177.5	0	0	0	0	103.3	A35 T39	A35-V37 PolarHBondContact O-N 3.37Å; V37-T39 PolarHBondContact O-N 3.01Å
38	Q	33.2	Very low	52.6	Low	166 Å²	166	119.6 Å²	119.6	78%	0.776	66%	0.66	S	S	*	*			trans	-57.5	99	164.5	-82.3	-177.9	-9.5	0	0	104.8	Q36 K40	Q36-Q38 PolarHBondContact O-N 3.07Å; Q38-K40 PolarHBondContact O-N 3.13Å
39	T	40.8	Very low	54.9	Low	128 Å²	128	119.3 Å²	119.3	79%	0.785	67%	0.672	S	S	*	*			trans	-57.9	96.9	160	33.1	0	0	0	0	104.6	V37 S41	V37-T39 PolarHBondContact O-N 3.01Å; T39-S41 PolarHBondContact O-N 3.02Å
40	K	48.5	Very low	57.4	Low	158 Å²	158	116.6 Å²	116.6	69%	0.687	66%	0.655	S	S	*	*			trans	-49.9	115.1	169.5	-84.3	-176.3	175.6	179.4	0	105.4	Q38 K42	Q38-K40 PolarHBondContact O-N 3.13Å; K40-K42 PolarHBondContact O-N 3.1Å
41	S	56.4	Low	60.1	Low	121 Å²	121	115.9 Å²	115.9	85%	0.846	64%	0.643	S	S	*	*			trans	-53.9	105.8	170.1	175.4	0	0	0	0	106.4	T39	T39-S41 PolarHBondContact O-N 3.02Å
42	K	67.4	Low	63	Low	86 Å²	86	111.7 Å²	111.7	37%	0.374	62%	0.616	S	S	.	*			trans	-71	133.9	-174.7	-73.2	-170	177.1	-174.6	0	108.4	K40 D373 Q450 Y451	K40-K42 PolarHBondContact O-N 3.1Å; K42-D373 VanDerWaalsContact NZ-CG 3.26Å; K42-D373 IonicContact NZ-OD1 2.95Å; K42-D373 PolarHBondContact NZ-OD1 3.07Å; K42-D373 VanDerWaalsContact NZ-OD1 3.09Å; K42-D373 IonicContact NZ-OD2 3.8Å; K42-D373 PolarHBondContact NZ-OD2 3.02Å; K42-Q450 HydrophobicContact CD-CB 3.61Å; K42-Q450 HydrophobicContact CD-CG 4.41Å; K42-Y451 HydrophobicContact CB-CE2 4.25Å; K42-Y451 HydrophobicContact CD-CE2 4.44Å
43	K	75.3	Confident	66	Low	153 Å²	153	104.7 Å²	104.7	67%	0.665	58%	0.584	S	S	*	*			trans	-88.8	109.3	-159.7	-161.2	-176.8	-171.4	-174.5	0	111.2	L45 Y451	K43-L45 PolarHBondContact O-N 2.9Å; K43-Y451 PolarHBondContact N-OH 3.23Å; K43-Y451 PolarHBondContact O-OH 3.39Å
44	T	78.3	Confident	69	Low	97 Å²	97	96.9 Å²	96.9	60%	0.595	54%	0.543	S	S	*	.			trans	-51.2	133.5	178.9	-177.6	0	0	0	0	112.1	A46	T44-A46 VanDerWaalsContact C-N 3.34Å
45	L	90.3	Very high	72	Confident	18 Å²	18	89.5 Å²	89.5	9%	0.094	51%	0.508	C	S	.	.			trans	-93.5	8.4	-177.8	-62.4	179.6	0	0	0	113.1	K43 R47 R337 A365 L367 Y451 V467	K43-L45 PolarHBondContact O-N 2.9Å; L45-R47 PolarHBondContact O-N 2.85Å; L45-R337 HydrophobicContact CB-CG 4.09Å; L45-R337 HydrophobicContact CD1-CB 4.31Å; L45-R337 HydrophobicContact CD1-CG 4.1Å; L45-A365 VanDerWaalsContact CD2-O 3.28Å; L45-A365 WeakPolarHBondContact CD2-O 3.32Å; L45-L367 HydrophobicContact CD1-CD1 3.9Å; L45-L367 HydrophobicContact CD2-CD1 4.43Å; L45-L367 HydrophobicContact CD2-CD2 4.12Å; L45-L367 HydrophobicContact CD2-CG 4.14Å; L45-Y451 HydrophobicContact CD1-CD1 3.65Å; L45-Y451 HydrophobicContact CD1-CE1 3.46Å; L45-Y451 VanDerWaalsContact CD1-CE1 3.46Å; L45-Y451 HydrophobicContact CG-CD1 4.32Å; L45-Y451 HydrophobicContact CG-CE1 3.62Å; L45-V467 HydrophobicContact CD1-CG1 3.71Å
46	A	87.4	Confident	75.1	Confident	41 Å²	41	85.8 Å²	85.8	34%	0.339	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-59.9	134.7	175	0	0	0	0	0	110.5	T44	T44-A46 VanDerWaalsContact C-N 3.34Å
47	R	87.1	Confident	78.2	Confident	103 Å²	103	78.9 Å²	78.9	39%	0.389	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-101.4	127.7	179.9	-71.7	-177.3	173.1	-171	-5.8	110.1	L45 G49 V50 D338 R364	L45-R47 PolarHBondContact O-N 2.85Å; R47-G49 PolarHBondContact O-N 3.02Å; R47-V50 HydrophobicContact CB-CB 4.18Å; R47-V50 HydrophobicContact CB-CG2 4.19Å; R47-V50 PolarHBondContact O-N 3.24Å; R47-D338 IonicContact CZ-OD1 3.69Å; R47-D338 IonicContact CZ-OD2 2.72Å; R47-D338 VanDerWaalsContact CZ-OD2 3.26Å; R47-D338 IonicContact NE-OD1 3.48Å; R47-D338 IonicContact NE-OD2 3.36Å; R47-D338 PolarHBondContact NE-OD2 2.88Å; R47-D338 IonicContact NH1-OD1 2.85Å; R47-D338 PolarHBondContact NH1-OD1 2.81Å; R47-D338 IonicContact NH2-OD1 2.78Å; R47-D338 PolarHBondContact NH2-OD1 3.49Å; R47-D338 IonicContact NH2-OD2 3.47Å; R47-D338 PolarHBondContact NH2-OD2 3.32Å; R47-R364 PolarHBondContact NH2-O 3.32Å
48	P	84.9	Confident	81.2	Confident	131 Å²	131	73 Å²	73	85%	0.851	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	134.7	174.8	-23.6	33	0	0	0	111.4	V50	P48-V50 VanDerWaalsContact C-N 3.25Å; P48-V50 PolarHBondContact O-N 2.98Å
49	G	84.4	Confident	84.3	Confident	92 Å²	92	65.1 Å²	65.1	95%	0.948	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	2.4	177.6	0	0	0	0	0	115.7	R47	R47-G49 PolarHBondContact O-N 3.02Å
50	V	89	Confident	87.1	Confident	75 Å²	75	59 Å²	59	46%	0.455	34%	0.335	S	S	.	.	S	Bend	trans	-114.5	128.4	173	-176.1	0	0	0	0	108.6	R47 P48 N52	R47-V50 HydrophobicContact CB-CB 4.18Å; R47-V50 HydrophobicContact CB-CG2 4.19Å; R47-V50 PolarHBondContact O-N 3.24Å; P48-V50 VanDerWaalsContact C-N 3.25Å; P48-V50 PolarHBondContact O-N 2.98Å; V50-N52 PolarHBondContact O-N 3.35Å
51	K	92.6	Very high	89.5	Confident	88 Å²	88	51.5 Å²	51.5	38%	0.383	30%	0.302	S	S	.	.			trans	-56.8	136	174.9	-71.2	-175.8	173.1	-175.1	0	109.8	D157	K51-D157 IonicContact NZ-OD1 3.77Å; K51-D157 PolarHBondContact NZ-OD1 3.23Å
52	N	97.4	Very high	91.5	Very high	37 Å²	37	45.8 Å²	45.8	20%	0.198	26%	0.262	C	S	.	.			trans	-67.7	137.2	167.8	-79.5	-24.4	0	0	0	109.5	V50 E322 Y335 R337	V50-N52 PolarHBondContact O-N 3.35Å; N52-E322 HydrophobicContact CB-CB 3.75Å; N52-E322 HydrophobicContact CB-CG 4.48Å; N52-E322 WeakPolarHBondContact CB-OE2 3.07Å; N52-E322 PolarHBondContact ND2-OE2 3.35Å; N52-E322 PolarHBondContact O-N 2.79Å; N52-Y335 HydrophobicContact CB-CD1 4.15Å; N52-Y335 HydrophobicContact CB-CE1 3.99Å; N52-R337 PolarHBondContact OD1-NH1 3.48Å
53	I	98.5	Very high	93	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.4	-178.7	-60.3	168.8	0	0	0	107.5	V148 I151 A152 I319 M320 L336	I53-V148 HydrophobicContact CD1-CB 4.39Å; I53-V148 HydrophobicContact CD1-CG1 3.73Å; I53-V148 VanDerWaalsContact CD1-O 3.27Å; I53-V148 WeakPolarHBondContact CD1-O 3.38Å; I53-V148 HydrophobicContact CG2-CG2 4.12Å; I53-I151 HydrophobicContact CD1-CB 3.97Å; I53-I151 HydrophobicContact CD1-CG2 3.93Å; I53-I151 HydrophobicContact CG1-CB 4.28Å; I53-I151 HydrophobicContact CG1-CG2 3.75Å; I53-I151 HydrophobicContact CG2-CD1 4.23Å; I53-A152 HydrophobicContact CD1-CB 3.93Å; I53-I319 HydrophobicContact CG2-CG2 3.42Å; I53-I319 VanDerWaalsContact CG2-CG2 3.42Å; I53-M320 WeakPolarHBondContact CA-O 3.24Å; I53-L336 HydrophobicContact CG2-CD1 4.45Å; I53-L336 PolarHBondContact O-N 2.92Å
54	V	98.8	Very high	94.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.9	-170.3	-63.2	0	0	0	0	111.8	V56 I319 M320 E322 A325 P332 A334 Y335 Y471	V54-V56 HydrophobicContact CG2-CG2 4.24Å; V54-I319 WeakPolarHBondContact O-CA 3.32Å; V54-M320 PolarHBondContact N-O 3.01Å; V54-M320 PolarHBondContact O-N 3.22Å; V54-E322 HydrophobicContact CG1-CB 4Å; V54-E322 HydrophobicContact CG1-CG 4.21Å; V54-A325 HydrophobicContact CG2-CB 3.77Å; V54-P332 HydrophobicContact CB-CB 3.73Å; V54-P332 HydrophobicContact CB-CG 4.19Å; V54-P332 HydrophobicContact CG1-CB 4.1Å; V54-P332 HydrophobicContact CG1-CG 4.35Å; V54-P332 HydrophobicContact CG2-CB 3.85Å; V54-P332 HydrophobicContact CG2-CG 3.84Å; V54-A334 CarbonylContact C-O 3.59Å; V54-A334 VanDerWaalsContact CA-O 3.31Å; V54-A334 WeakPolarHBondContact CA-O 3.45Å; V54-Y335 HydrophobicContact CG1-CD1 3.54Å; V54-Y335 HydrophobicContact CG1-CE1 3.77Å; V54-Y335 HydrophobicContact CG1-CG 4.32Å; V54-Y471 HydrophobicContact CG1-CD2 4.16Å; V54-Y471 HydrophobicContact CG1-CE2 3.98Å
55	L	98.8	Very high	95	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	113.4	164	177.7	68.4	0	0	0	108.1	V317 K333 A334 L336 V437 A441	L55-V317 HydrophobicContact CD1-CB 3.69Å; L55-V317 HydrophobicContact CD1-CG1 3.96Å; L55-K333 PolarHBondContact O-N 3.38Å; L55-A334 PolarHBondContact N-O 3.01Å; L55-A334 PolarHBondContact O-N 2.94Å; L55-L336 HydrophobicContact CB-CD2 4.22Å; L55-L336 HydrophobicContact CB-CG 4.47Å; L55-V437 HydrophobicContact CD2-CG1 4.26Å; L55-A441 HydrophobicContact CD2-CB 3.87Å
56	V	98.7	Very high	95.3	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.042	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-48.7	176.8	173.9	0	0	0	0	110.7	V54 L318 M320 A325 F330 K333	V54-V56 HydrophobicContact CG2-CG2 4.24Å; V56-L318 HydrophobicContact CB-CB 4.28Å; V56-L318 HydrophobicContact CB-CD2 3.91Å; V56-L318 HydrophobicContact CB-CG 3.99Å; V56-L318 HydrophobicContact CG1-CD2 3.79Å; V56-L318 HydrophobicContact CG1-CG 4.43Å; V56-L318 HydrophobicContact CG2-CG 4.48Å; V56-L318 PolarHBondContact N-O 3.13Å; V56-M320 HydrophobicContact CG2-CB 4.19Å; V56-M320 HydrophobicContact CG2-CG 4.05Å; V56-M320 HydrophobicContact CG2-SD 3.65Å; V56-A325 HydrophobicContact CG2-CB 3.95Å; V56-F330 HydrophobicContact CG1-CB 3.83Å; V56-F330 HydrophobicContact CG1-CD1 3.52Å; V56-F330 HydrophobicContact CG1-CD2 4.29Å; V56-F330 HydrophobicContact CG1-CE1 4.13Å; V56-F330 HydrophobicContact CG1-CG 3.62Å; V56-F330 HydrophobicContact CG2-CB 4.4Å; V56-K333 WeakPolarHBondContact O-CG 3.25Å
57	E	98.6	Very high	95.7	Very high	24 Å²	24	32.8 Å²	32.8	11%	0.112	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	152	178.1	-174.9	54.7	-77.1	0	0	110.7	V59 L86 R89 T90 V317 L318 K333 H442	E57-V59 HydrophobicContact CG-CG1 4.33Å; E57-L86 HydrophobicContact CB-CD1 4.25Å; E57-L86 HydrophobicContact CG-CD1 4.25Å; E57-R89 HydrophobicContact CG-CG 4.07Å; E57-R89 WeakPolarHBondContact OE2-CD 3.43Å; E57-T90 HydrophobicContact CB-CG2 3.51Å; E57-T90 HydrophobicContact CG-CG2 3.89Å; E57-V317 CarbonylContact O-C 3.52Å; E57-V317 WeakPolarHBondContact O-CA 3.28Å; E57-L318 PolarHBondContact O-N 3.47Å; E57-K333 VanDerWaalsContact CD-CE 3.43Å; E57-K333 WeakPolarHBondContact OE1-CE 3.48Å; E57-K333 IonicContact OE1-NZ 2.73Å; E57-K333 PolarHBondContact OE1-NZ 3.19Å; E57-K333 WeakPolarHBondContact OE2-CE 3.45Å; E57-K333 IonicContact OE2-NZ 2.69Å; E57-K333 PolarHBondContact OE2-NZ 2.82Å; E57-H442 IonicContact OE1-NE2 3.26Å
58	G	98.6	Very high	96.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	139.3	171.4	0	0	0	0	0	111.4	A316	G58-A316 CarbonylContact C-O 3.55Å; G58-A316 WeakPolarHBondContact CA-O 3.38Å
59	V	98.9	Very high	96.7	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	160.2	178.2	-55.2	0	0	0	0	111	E57 A82 L86 R89 D262 I264 S315 A316	E57-V59 HydrophobicContact CG-CG1 4.33Å; V59-A82 WeakPolarHBondContact CG2-O 3.23Å; V59-L86 HydrophobicContact CG1-CD1 4.17Å; V59-L86 HydrophobicContact CG2-CB 3.69Å; V59-L86 HydrophobicContact CG2-CD1 4.11Å; V59-L86 HydrophobicContact CG2-CG 4.49Å; V59-R89 HydrophobicContact CG1-CB 4.33Å; V59-D262 CarbonylContact C-O 3.54Å; V59-D262 VanDerWaalsContact CA-O 3.27Å; V59-D262 WeakPolarHBondContact CA-O 3.49Å; V59-I264 HydrophobicContact CB-CG2 3.8Å; V59-I264 HydrophobicContact CG1-CG2 4.13Å; V59-I264 HydrophobicContact CG2-CG2 4.46Å; V59-S315 CarbonylContact O-C 3.52Å; V59-S315 VanDerWaalsContact O-CA 3.31Å; V59-S315 WeakPolarHBondContact O-CA 3.44Å; V59-A316 HydrophobicContact CG2-CB 3.87Å; V59-A316 PolarHBondContact N-O 2.85Å; V59-A316 PolarHBondContact O-N 3.45Å; V59-A316 VanDerWaalsContact O-O 3.12Å
60	R	98.8	Very high	97.3	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	153.7	170.6	62.8	175.8	-178.3	92.2	-4.6	111.7	F63 D262 V263 I264 D277 A314	R60-F63 HydrophobicContact CB-CE1 4.05Å; R60-F63 HydrophobicContact CG-CE1 4.5Å; R60-D262 VanDerWaalsContact CD-OD2 3.24Å; R60-D262 WeakPolarHBondContact CD-OD2 3.33Å; R60-D262 HydrophobicContact CG-CB 4.34Å; R60-D262 IonicContact CZ-OD2 3.2Å; R60-D262 PolarHBondContact N-O 3.26Å; R60-D262 IonicContact NE-OD1 2.84Å; R60-D262 IonicContact NE-OD2 3.4Å; R60-D262 PolarHBondContact NE-OD2 2.77Å; R60-D262 IonicContact NH2-OD1 3.87Å; R60-V263 WeakPolarHBondContact O-CA 3.02Å; R60-I264 WeakPolarHBondContact O-CG1 3.41Å; R60-I264 PolarHBondContact O-N 3.09Å; R60-D277 IonicContact CZ-OD1 3.13Å; R60-D277 IonicContact CZ-OD2 2.7Å; R60-D277 IonicContact NH1-OD1 2.71Å; R60-D277 PolarHBondContact NH1-OD1 2.78Å; R60-D277 IonicContact NH1-OD2 2.63Å; R60-D277 PolarHBondContact NH1-OD2 3.45Å; R60-D277 IonicContact NH2-OD1 2.76Å; R60-D277 IonicContact NH2-OD2 2.67Å; R60-D277 PolarHBondContact NH2-OD2 3.28Å; R60-A314 CarbonylContact C-O 3.38Å; R60-A314 WeakPolarHBondContact CA-O 3.45Å; R60-A314 VanDerWaalsContact CB-O 3.3Å; R60-A314 WeakPolarHBondContact CB-O 3.4Å
61	T	98.8	Very high	97.6	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.118	C	C	.	.			trans	-63.8	158.4	162.5	65.7	0	0	0	0	109.3	F63 A81 A82 G313 A314	T61-F63 VanDerWaalsContact O-CD1 3.32Å; T61-F63 WeakPolarHBondContact O-CD1 3.28Å; T61-F63 PolarHBondContact O-N 3.46Å; T61-A81 HydrophobicContact CG2-CB 4.13Å; T61-A82 HydrophobicContact CG2-CB 4.31Å; T61-G313 WeakPolarHBondContact OG1-CA 3.42Å; T61-A314 HydrophobicContact CG2-CB 4.24Å; T61-A314 PolarHBondContact N-O 2.89Å; T61-A314 PolarHBondContact OG1-N 3.26Å; T61-A314 PolarHBondContact OG1-O 3.42Å
62	P	98.6	Very high	97.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.134	C	C	.	.			trans	-53.5	130.7	163	-21.6	32.3	0	0	0	108.6	L64 Y70 V263 I264 V274 D277	P62-L64 HydrophobicContact CB-CD2 4.02Å; P62-L64 HydrophobicContact CB-CG 4.46Å; P62-Y70 WeakPolarHBondContact CD-OH 3.48Å; P62-Y70 VanDerWaalsContact O-CE2 3.28Å; P62-Y70 WeakPolarHBondContact O-CE2 3.36Å; P62-Y70 PolarHBondContact O-OH 3.47Å; P62-V263 HydrophobicContact CB-CG1 4.27Å; P62-V263 HydrophobicContact CG-CG1 3.78Å; P62-I264 VanDerWaalsContact CD-O 3.24Å; P62-I264 WeakPolarHBondContact CD-O 3.31Å; P62-V274 HydrophobicContact CB-CG1 3.73Å; P62-V274 HydrophobicContact CG-CB 4.22Å; P62-V274 HydrophobicContact CG-CG1 3.78Å; P62-D277 WeakPolarHBondContact CA-OD1 3.22Å
63	F	98.8	Very high	97.7	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.128	C	C	.	.			trans	-84.3	113.6	177	-81.6	12.1	0	0	0	107.5	R60 T61 D277 T311 L425 P428 A431 R435	R60-F63 HydrophobicContact CB-CE1 4.05Å; R60-F63 HydrophobicContact CG-CE1 4.5Å; T61-F63 VanDerWaalsContact O-CD1 3.32Å; T61-F63 WeakPolarHBondContact O-CD1 3.28Å; T61-F63 PolarHBondContact O-N 3.46Å; F63-D277 PolarHBondContact N-OD1 2.95Å; F63-T311 HydrophobicContact CB-CG2 3.83Å; F63-T311 HydrophobicContact CG-CG2 4.42Å; F63-L425 WeakPolarHBondContact CB-O 3.23Å; F63-P428 HydrophobicContact CB-CG 4.47Å; F63-P428 HydrophobicContact CD1-CG 3.8Å; F63-P428 HydrophobicContact CD2-CG 3.59Å; F63-P428 HydrophobicContact CE1-CG 3.82Å; F63-P428 HydrophobicContact CE2-CG 3.61Å; F63-P428 HydrophobicContact CG-CG 3.69Å; F63-P428 HydrophobicContact CZ-CG 3.72Å; F63-A431 HydrophobicContact CE1-CB 4.32Å; F63-A431 HydrophobicContact CZ-CB 3.97Å; F63-R435 HydrophobicContact CE2-CB 4.33Å; F63-R435 HydrophobicContact CE2-CG 4.49Å; F63-R435 HydrophobicContact CZ-CB 4.32Å
64	L	98.6	Very high	97.6	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	139.3	-172.1	-57.9	-171.1	0	0	0	110.7	P62 S66 Y70 V274 N278 T311 D312	P62-L64 HydrophobicContact CB-CD2 4.02Å; P62-L64 HydrophobicContact CB-CG 4.46Å; L64-S66 PolarHBondContact O-N 3.48Å; L64-Y70 HydrophobicContact CB-CD2 4.1Å; L64-Y70 HydrophobicContact CB-CE2 3.96Å; L64-Y70 HydrophobicContact CD1-CD1 3.85Å; L64-Y70 HydrophobicContact CD1-CD2 3.87Å; L64-Y70 HydrophobicContact CD1-CE1 3.5Å; L64-Y70 HydrophobicContact CD1-CE2 3.55Å; L64-Y70 HydrophobicContact CD1-CG 4Å; L64-Y70 HydrophobicContact CG-CD2 4.1Å; L64-Y70 HydrophobicContact CG-CE1 4.35Å; L64-Y70 HydrophobicContact CG-CE2 3.55Å; L64-V274 HydrophobicContact CD1-CG1 3.99Å; L64-V274 HydrophobicContact CD1-CG2 4.35Å; L64-V274 HydrophobicContact CD2-CG1 3.88Å; L64-V274 HydrophobicContact CG-CG1 4.41Å; L64-N278 VanDerWaalsContact CA-OD1 3.28Å; L64-N278 WeakPolarHBondContact CA-OD1 3.32Å; L64-N278 HydrophobicContact CD2-CB 4.07Å; L64-T311 CarbonylContact O-C 3.51Å; L64-T311 VanDerWaalsContact O-CA 3.29Å; L64-T311 WeakPolarHBondContact O-CA 3.44Å; L64-T311 VanDerWaalsContact O-CG2 3.25Å; L64-T311 WeakPolarHBondContact O-CG2 3.2Å; L64-D312 PolarHBondContact N-O 2.88Å; L64-D312 PolarHBondContact O-N 3.15Å
65	L	98.1	Very high	97.5	Very high	47 Å²	47	23.1 Å²	23.1	25%	0.246	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	128.9	169.7	-170.8	146.3	0	0	0	109.7	T68 N278 F309 L310	L65-T68 HydrophobicContact CB-CG2 4.09Å; L65-T68 HydrophobicContact CD2-CG2 3.78Å; L65-T68 VanDerWaalsContact O-CB 3.3Å; L65-T68 WeakPolarHBondContact O-CB 3.45Å; L65-T68 WeakPolarHBondContact O-CG2 3.34Å; L65-T68 PolarHBondContact O-N 3Å; L65-T68 PolarHBondContact O-OG1 3.19Å; L65-N278 PolarHBondContact N-ND2 3.23Å; L65-N278 PolarHBondContact N-OD1 3.36Å; L65-F309 HydrophobicContact CB-CD2 3.95Å; L65-F309 HydrophobicContact CB-CE2 3.96Å; L65-F309 HydrophobicContact CD1-CD2 3.86Å; L65-F309 HydrophobicContact CD1-CE2 4.42Å; L65-F309 HydrophobicContact CD1-CG 4.31Å; L65-F309 HydrophobicContact CG-CD2 3.86Å; L65-F309 HydrophobicContact CG-CE2 4.37Å; L65-L310 WeakPolarHBondContact CA-O 3.42Å
66	S	96.9	Very high	97.4	Very high	19 Å²	19	24.6 Å²	24.6	13%	0.133	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	143	-175.8	-58.8	0	0	0	0	111.8	L64 M167 L310 T311 D312	L64-S66 PolarHBondContact O-N 3.48Å; S66-M167 WeakPolarHBondContact OG-CB 3.35Å; S66-L310 PolarHBondContact N-O 2.94Å; S66-L310 PolarHBondContact OG-O 3.33Å; S66-T311 VanDerWaalsContact OG-C 3.22Å; S66-T311 WeakPolarHBondContact OG-CA 3.28Å; S66-T311 PolarHBondContact OG-N 3.41Å; S66-T311 VanDerWaalsContact OG-N 3.08Å; S66-D312 WeakPolarHBondContact CA-OD2 3.16Å; S66-D312 WeakPolarHBondContact CB-OD1 3.36Å; S66-D312 PolarHBondContact OG-N 3.19Å; S66-D312 PolarHBondContact OG-OD1 3.18Å
67	G	95.6	Very high	97.4	Very high	54 Å²	54	25.4 Å²	25.4	56%	0.557	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.4	8.7	-172.8	0	0	0	0	0	113.9	S168	G67-S168 WeakPolarHBondContact CA-OG 3.29Å; G67-S168 PolarHBondContact N-OG 2.87Å
68	T	96.1	Very high	97.4	Very high	43 Å²	43	24.2 Å²	24.2	26%	0.264	15%	0.149	S	C	.	.	S	Bend	trans	-99.3	-114.9	179.2	66.4	0	0	0	0	112.4	L65 R271 N278	L65-T68 HydrophobicContact CB-CG2 4.09Å; L65-T68 HydrophobicContact CD2-CG2 3.78Å; L65-T68 VanDerWaalsContact O-CB 3.3Å; L65-T68 WeakPolarHBondContact O-CB 3.45Å; L65-T68 WeakPolarHBondContact O-CG2 3.34Å; L65-T68 PolarHBondContact O-N 3Å; L65-T68 PolarHBondContact O-OG1 3.19Å; T68-R271 PolarHBondContact O-NH1 3.44Å; T68-N278 PolarHBondContact OG1-ND2 2.99Å; T68-N278 VanDerWaalsContact OG1-ND2 3.13Å
69	T	96.5	Very high	97.4	Very high	37 Å²	37	24.2 Å²	24.2	23%	0.227	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-29.6	-169.5	-43.8	0	0	0	0	113.1	A71 V268 R271 V274	T69-A71 VanDerWaalsContact C-N 3.35Å; T69-V268 HydrophobicContact CG2-CG2 4.16Å; T69-R271 HydrophobicContact CG2-CB 4.3Å; T69-R271 WeakPolarHBondContact O-CD 3.35Å; T69-V274 HydrophobicContact CG2-CG2 3.65Å
70	Y	97.4	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	3.6	-178.5	-58.5	-27.7	0	0	0	114.2	P62 L64 D72 L73 L78 F166 F266 V268 V274 D312	P62-Y70 WeakPolarHBondContact CD-OH 3.48Å; P62-Y70 VanDerWaalsContact O-CE2 3.28Å; P62-Y70 WeakPolarHBondContact O-CE2 3.36Å; P62-Y70 PolarHBondContact O-OH 3.47Å; L64-Y70 HydrophobicContact CB-CD2 4.1Å; L64-Y70 HydrophobicContact CB-CE2 3.96Å; L64-Y70 HydrophobicContact CD1-CD1 3.85Å; L64-Y70 HydrophobicContact CD1-CD2 3.87Å; L64-Y70 HydrophobicContact CD1-CE1 3.5Å; L64-Y70 HydrophobicContact CD1-CE2 3.55Å; L64-Y70 HydrophobicContact CD1-CG 4Å; L64-Y70 HydrophobicContact CG-CD2 4.1Å; L64-Y70 HydrophobicContact CG-CE1 4.35Å; L64-Y70 HydrophobicContact CG-CE2 3.55Å; Y70-D72 PolarHBondContact O-N 2.89Å; Y70-L73 HydrophobicContact CD1-CD1 3.99Å; Y70-L73 HydrophobicContact CG-CD1 4.27Å; Y70-L73 WeakPolarHBondContact O-CB 3.33Å; Y70-L73 PolarHBondContact O-N 3.43Å; Y70-L78 HydrophobicContact CD1-CD2 4.01Å; Y70-L78 HydrophobicContact CD2-CD1 3.85Å; Y70-L78 HydrophobicContact CD2-CD2 3.69Å; Y70-L78 HydrophobicContact CD2-CG 4.44Å; Y70-L78 HydrophobicContact CE1-CD2 4.19Å; Y70-L78 HydrophobicContact CE2-CD1 4.44Å; Y70-L78 HydrophobicContact CE2-CD2 3.88Å; Y70-L78 HydrophobicContact CG-CD1 4.33Å; Y70-L78 HydrophobicContact CG-CD2 3.78Å; Y70-F166 WeakPolarHBondContact O-CE2 3.47Å; Y70-F166 WeakPolarHBondContact O-CZ 3.29Å; Y70-F266 HydrophobicContact CD1-CD1 4.3Å; Y70-F266 HydrophobicContact CD1-CE1 4.1Å; Y70-F266 AromaticContact CE1-CD1 3.49Å; Y70-F266 HydrophobicContact CE1-CD1 3.49Å; Y70-F266 VanDerWaalsContact CE1-CD1 3.49Å; Y70-F266 AromaticContact CE1-CE1 3.75Å; Y70-F266 HydrophobicContact CE1-CE1 3.75Å; Y70-F266 AromaticContact CZ-CD1 3.96Å; Y70-V268 HydrophobicContact CD1-CG2 3.64Å; Y70-V268 HydrophobicContact CE1-CG2 3.57Å; Y70-V274 HydrophobicContact CE1-CG2 4.48Å; Y70-D312 HydrophobicContact CD2-CB 3.72Å
71	A	94.9	Very high	97.3	Very high	32 Å²	32	27.5 Å²	27.5	26%	0.264	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.7	-167.3	0	0	0	0	0	115.3	T69	T69-A71 VanDerWaalsContact C-N 3.35Å
72	D	95.1	Very high	97.3	Very high	132 Å²	132	27.5 Å²	27.5	71%	0.706	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	14.7	-177	-49.4	-55.8	0	0	0	113.4	Y70 R271	Y70-D72 PolarHBondContact O-N 2.89Å; D72-R271 IonicContact OD2-CZ 3.72Å; D72-R271 IonicContact OD2-NE 3.54Å; D72-R271 IonicContact OD2-NH2 3.65Å; D72-R271 PolarHBondContact OD2-NH2 2.88Å
73	L	96.1	Very high	97.4	Very high	15 Å²	15	27.5 Å²	27.5	8%	0.079	16%	0.162	C	C	.	.	S	Bend	trans	-100.9	173.3	178.1	-61.1	-178.3	0	0	0	112.1	Y70 D77 L78 F166 F266 V268 P269	Y70-L73 HydrophobicContact CD1-CD1 3.99Å; Y70-L73 HydrophobicContact CG-CD1 4.27Å; Y70-L73 WeakPolarHBondContact O-CB 3.33Å; Y70-L73 PolarHBondContact O-N 3.43Å; L73-D77 HydrophobicContact CB-CB 4.31Å; L73-D77 HydrophobicContact CD2-CB 4.39Å; L73-L78 HydrophobicContact CD1-CD2 3.69Å; L73-L78 HydrophobicContact CD1-CG 4.3Å; L73-F166 HydrophobicContact CB-CE2 4.3Å; L73-F166 HydrophobicContact CB-CZ 4.27Å; L73-F166 WeakPolarHBondContact O-CE1 3.18Å; L73-F166 WeakPolarHBondContact O-CZ 3.33Å; L73-F266 HydrophobicContact CD1-CE1 3.76Å; L73-F266 HydrophobicContact CD1-CZ 4Å; L73-V268 HydrophobicContact CD1-CG1 4.32Å; L73-P269 HydrophobicContact CD2-CG 4.46Å
74	M	96.6	Very high	97.3	Very high	62 Å²	62	31 Å²	31	31%	0.305	18%	0.179	S	C	.	.			trans	-108.9	159.4	164.4	-67.1	-175.3	-177.3	0	0	110.7	H76 D77 L78	M74-H76 VanDerWaalsContact CB-ND1 3.33Å; M74-H76 WeakPolarHBondContact CB-ND1 3.45Å; M74-H76 PolarHBondContact O-N 3.32Å; M74-D77 WeakPolarHBondContact CB-OD2 3.17Å; M74-D77 PolarHBondContact N-OD2 3.12Å; M74-D77 WeakPolarHBondContact O-CB 3.35Å; M74-D77 PolarHBondContact O-N 3.29Å; M74-L78 PolarHBondContact O-N 3.22Å
75	P	96.9	Very high	97.3	Very high	9 Å²	9	31.5 Å²	31.5	6%	0.058	18%	0.184	C	C	.	.	H	α-helix	trans	-55.2	-39.3	177.1	18.5	-31.5	0	0	0	112.8	D77 L78 A79 E108 V164 F166	P75-D77 PolarHBondContact O-N 3.32Å; P75-L78 PolarHBondContact O-N 3.06Å; P75-A79 PolarHBondContact O-N 3.35Å; P75-E108 HydrophobicContact CG-CB 3.55Å; P75-E108 HydrophobicContact CG-CG 4.36Å; P75-V164 HydrophobicContact CB-CG1 4.41Å; P75-V164 HydrophobicContact CB-CG2 4.3Å; P75-V164 VanDerWaalsContact O-CG2 3.25Å; P75-V164 WeakPolarHBondContact O-CG2 3.43Å; P75-F166 HydrophobicContact CB-CB 3.75Å; P75-F166 HydrophobicContact CG-CB 4.33Å
76	H	96.8	Very high	97.4	Very high	32 Å²	32	29.3 Å²	29.3	15%	0.148	17%	0.173	C	C	.	.	H	α-helix	trans	-64.7	-25.6	178.4	85.1	-75.3	0	0	0	113.2	M74 R80 T111 V114	M74-H76 VanDerWaalsContact CB-ND1 3.33Å; M74-H76 WeakPolarHBondContact CB-ND1 3.45Å; M74-H76 PolarHBondContact O-N 3.32Å; H76-R80 VanDerWaalsContact O-CB 3.27Å; H76-R80 WeakPolarHBondContact O-CB 3.19Å; H76-R80 PolarHBondContact O-N 3.24Å; H76-T111 HydrophobicContact CB-CG2 4.04Å; H76-V114 HydrophobicContact CB-CG2 3.81Å
77	D	98	Very high	97.4	Very high	23 Å²	23	29.1 Å²	29.1	12%	0.123	17%	0.17	C	C	.	.	H	α-helix	trans	-70.2	-41.2	176.2	-63	-51.9	0	0	0	111.5	L73 M74 P75 R80 A81	L73-D77 HydrophobicContact CB-CB 4.31Å; L73-D77 HydrophobicContact CD2-CB 4.39Å; M74-D77 WeakPolarHBondContact CB-OD2 3.17Å; M74-D77 PolarHBondContact N-OD2 3.12Å; M74-D77 WeakPolarHBondContact O-CB 3.35Å; M74-D77 PolarHBondContact O-N 3.29Å; P75-D77 PolarHBondContact O-N 3.32Å; D77-R80 WeakPolarHBondContact O-CB 3.37Å; D77-R80 PolarHBondContact O-N 3.4Å; D77-R80 IonicContact OD1-CZ 3.26Å; D77-R80 IonicContact OD1-NH1 3.13Å; D77-R80 PolarHBondContact OD1-NH1 3.25Å; D77-R80 IonicContact OD1-NH2 2.7Å; D77-R80 PolarHBondContact OD1-NH2 3.44Å; D77-A81 PolarHBondContact O-N 3.08Å
78	L	98.4	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.8	-42.4	174.8	-67.3	-179.3	0	0	0	111.3	Y70 L73 M74 P75 R80 A81 A82 V164 F166 F266 D312 A314	Y70-L78 HydrophobicContact CD1-CD2 4.01Å; Y70-L78 HydrophobicContact CD2-CD1 3.85Å; Y70-L78 HydrophobicContact CD2-CD2 3.69Å; Y70-L78 HydrophobicContact CD2-CG 4.44Å; Y70-L78 HydrophobicContact CE1-CD2 4.19Å; Y70-L78 HydrophobicContact CE2-CD1 4.44Å; Y70-L78 HydrophobicContact CE2-CD2 3.88Å; Y70-L78 HydrophobicContact CG-CD1 4.33Å; Y70-L78 HydrophobicContact CG-CD2 3.78Å; L73-L78 HydrophobicContact CD1-CD2 3.69Å; L73-L78 HydrophobicContact CD1-CG 4.3Å; M74-L78 PolarHBondContact O-N 3.22Å; P75-L78 PolarHBondContact O-N 3.06Å; L78-R80 VanDerWaalsContact C-N 3.32Å; L78-R80 PolarHBondContact O-N 3Å; L78-A81 WeakPolarHBondContact O-CB 3.37Å; L78-A81 PolarHBondContact O-N 3.08Å; L78-A82 PolarHBondContact O-N 3.33Å; L78-V164 HydrophobicContact CB-CG2 3.87Å; L78-F166 HydrophobicContact CD1-CD2 3.63Å; L78-F166 HydrophobicContact CD1-CE2 4.18Å; L78-F266 HydrophobicContact CD2-CD1 4.36Å; L78-F266 HydrophobicContact CD2-CE1 3.73Å; L78-D312 HydrophobicContact CD1-CB 4.18Å; L78-A314 VanDerWaalsContact C-CB 3.44Å; L78-A314 HydrophobicContact CB-CB 3.98Å; L78-A314 VanDerWaalsContact O-CB 3.22Å; L78-A314 WeakPolarHBondContact O-CB 3.41Å
79	A	98.7	Very high	97.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.6	-45.3	173.4	0	0	0	0	0	111.2	P75 A81 A82 L83 Y102 V114 A118 V164	P75-A79 PolarHBondContact O-N 3.35Å; A79-A81 VanDerWaalsContact C-N 3.32Å; A79-A81 PolarHBondContact O-N 3.15Å; A79-A82 PolarHBondContact O-N 2.87Å; A79-L83 WeakPolarHBondContact O-CB 3.47Å; A79-L83 VanDerWaalsContact O-CG 3.31Å; A79-L83 WeakPolarHBondContact O-CG 3.45Å; A79-L83 PolarHBondContact O-N 2.8Å; A79-Y102 HydrophobicContact CB-CD1 3.99Å; A79-Y102 HydrophobicContact CB-CE1 3.78Å; A79-V114 HydrophobicContact CB-CG2 4.48Å; A79-A118 HydrophobicContact CB-CB 3.48Å; A79-A118 VanDerWaalsContact CB-CB 3.48Å; A79-V164 HydrophobicContact CB-CB 4.01Å; A79-V164 HydrophobicContact CB-CG1 3.94Å; A79-V164 HydrophobicContact CB-CG2 4.37Å
80	R	98.7	Very high	97.7	Very high	65 Å²	65	35 Å²	35	25%	0.245	18%	0.179	C	C	.	.	H	α-helix	trans	-57.7	-43.8	174.7	178.6	176.9	68.9	-119.6	-1.7	111.6	H76 D77 L78 L83 Q84 A118 G121 A122	H76-R80 VanDerWaalsContact O-CB 3.27Å; H76-R80 WeakPolarHBondContact O-CB 3.19Å; H76-R80 PolarHBondContact O-N 3.24Å; D77-R80 WeakPolarHBondContact O-CB 3.37Å; D77-R80 PolarHBondContact O-N 3.4Å; D77-R80 IonicContact OD1-CZ 3.26Å; D77-R80 IonicContact OD1-NH1 3.13Å; D77-R80 PolarHBondContact OD1-NH1 3.25Å; D77-R80 IonicContact OD1-NH2 2.7Å; D77-R80 PolarHBondContact OD1-NH2 3.44Å; L78-R80 VanDerWaalsContact C-N 3.32Å; L78-R80 PolarHBondContact O-N 3Å; R80-L83 PolarHBondContact O-N 3.45Å; R80-Q84 HydrophobicContact CG-CG 4.41Å; R80-Q84 WeakPolarHBondContact O-CB 3.36Å; R80-Q84 VanDerWaalsContact O-CG 3.31Å; R80-Q84 WeakPolarHBondContact O-CG 3.46Å; R80-Q84 PolarHBondContact O-N 3.01Å; R80-A118 HydrophobicContact CB-CB 4.47Å; R80-G121 VanDerWaalsContact CD-O 3.31Å; R80-G121 WeakPolarHBondContact CD-O 3.31Å; R80-A122 HydrophobicContact CG-CB 4.23Å
81	A	98.6	Very high	97.7	Very high	5 Å²	5	37.9 Å²	37.9	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-45.1	178.1	0	0	0	0	0	112.4	T61 D77 L78 A79 L83 Q84 G85 I264 F266	T61-A81 HydrophobicContact CG2-CB 4.13Å; D77-A81 PolarHBondContact O-N 3.08Å; L78-A81 WeakPolarHBondContact O-CB 3.37Å; L78-A81 PolarHBondContact O-N 3.08Å; A79-A81 VanDerWaalsContact C-N 3.32Å; A79-A81 PolarHBondContact O-N 3.15Å; A81-L83 PolarHBondContact O-N 3.24Å; A81-Q84 PolarHBondContact O-N 3.42Å; A81-G85 PolarHBondContact O-N 3.4Å; A81-I264 VanDerWaalsContact O-CD1 3.29Å; A81-I264 WeakPolarHBondContact O-CD1 2.92Å; A81-F266 HydrophobicContact CB-CD1 4.46Å; A81-F266 HydrophobicContact CB-CD2 3.66Å; A81-F266 HydrophobicContact CB-CE1 4.36Å; A81-F266 HydrophobicContact CB-CE2 3.54Å; A81-F266 HydrophobicContact CB-CG 4.16Å; A81-F266 HydrophobicContact CB-CZ 3.92Å
82	A	98.8	Very high	97.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-42.9	176	0	0	0	0	0	112	V59 T61 L78 A79 G85 L86 A314 A316	V59-A82 WeakPolarHBondContact CG2-O 3.23Å; T61-A82 HydrophobicContact CG2-CB 4.31Å; L78-A82 PolarHBondContact O-N 3.33Å; A79-A82 PolarHBondContact O-N 2.87Å; A82-G85 PolarHBondContact O-N 3.25Å; A82-L86 PolarHBondContact O-N 3.15Å; A82-A314 HydrophobicContact CB-CB 3.74Å; A82-A316 HydrophobicContact CB-CB 4.19Å
83	L	98.8	Very high	97.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.7	-46.1	176.3	-78.3	179.6	0	0	0	112.8	A79 R80 A81 G85 L86 L87 L100 Y102 A118 A119 A122 F124 V160 A316	A79-L83 WeakPolarHBondContact O-CB 3.47Å; A79-L83 VanDerWaalsContact O-CG 3.31Å; A79-L83 WeakPolarHBondContact O-CG 3.45Å; A79-L83 PolarHBondContact O-N 2.8Å; R80-L83 PolarHBondContact O-N 3.45Å; A81-L83 PolarHBondContact O-N 3.24Å; L83-G85 VanDerWaalsContact C-N 3.32Å; L83-G85 PolarHBondContact O-N 3.19Å; L83-L86 PolarHBondContact O-N 3.13Å; L83-L87 WeakPolarHBondContact O-CG 3.43Å; L83-L87 PolarHBondContact O-N 3.06Å; L83-L100 HydrophobicContact CD1-CD1 4.06Å; L83-L100 HydrophobicContact CD2-CD1 3.73Å; L83-Y102 HydrophobicContact CD2-CE2 3.6Å; L83-Y102 WeakPolarHBondContact CD2-OH 3.06Å; L83-Y102 HydrophobicContact CG-CE2 4.15Å; L83-Y102 VanDerWaalsContact CG-OH 3.31Å; L83-Y102 WeakPolarHBondContact CG-OH 3.25Å; L83-A118 HydrophobicContact CD1-CB 3.94Å; L83-A119 HydrophobicContact CD1-CB 4.43Å; L83-A122 HydrophobicContact CB-CB 3.61Å; L83-A122 HydrophobicContact CD1-CB 4.15Å; L83-F124 HydrophobicContact CB-CE2 4.02Å; L83-F124 HydrophobicContact CD1-CE2 4.23Å; L83-F124 HydrophobicContact CD2-CE2 3.85Å; L83-F124 HydrophobicContact CD2-CZ 4.29Å; L83-F124 HydrophobicContact CG-CE2 4.24Å; L83-V160 HydrophobicContact CD2-CG1 3.62Å; L83-A316 HydrophobicContact CD2-CB 4.41Å
84	Q	98.6	Very high	97.8	Very high	75 Å²	75	37.5 Å²	37.5	35%	0.35	20%	0.201	S	C	.	.	H	α-helix	trans	-63.2	-40	174.4	-73.4	174.5	-21.5	0	0	111.4	R80 A81 L86 L87 N88 A122	R80-Q84 HydrophobicContact CG-CG 4.41Å; R80-Q84 WeakPolarHBondContact O-CB 3.36Å; R80-Q84 VanDerWaalsContact O-CG 3.31Å; R80-Q84 WeakPolarHBondContact O-CG 3.46Å; R80-Q84 PolarHBondContact O-N 3.01Å; A81-Q84 PolarHBondContact O-N 3.42Å; Q84-L86 VanDerWaalsContact C-N 3.3Å; Q84-L86 PolarHBondContact O-N 3.41Å; Q84-L87 PolarHBondContact O-N 3.44Å; Q84-N88 WeakPolarHBondContact O-CB 3.24Å; Q84-N88 PolarHBondContact O-N 3.47Å; Q84-N88 PolarHBondContact O-ND2 2.97Å; Q84-A122 HydrophobicContact CG-CB 3.91Å
85	G	98.4	Very high	97.7	Very high	11 Å²	11	40.5 Å²	40.5	11%	0.113	22%	0.218	C	C	.	.	H	α-helix	trans	-58.9	-40.8	173.2	0	0	0	0	0	112.8	A81 A82 L83 R89	A81-G85 PolarHBondContact O-N 3.4Å; A82-G85 PolarHBondContact O-N 3.25Å; L83-G85 VanDerWaalsContact C-N 3.32Å; L83-G85 PolarHBondContact O-N 3.19Å; G85-R89 VanDerWaalsContact O-CB 3.29Å; G85-R89 WeakPolarHBondContact O-CB 3.05Å; G85-R89 PolarHBondContact O-N 3.06Å
86	L	98.7	Very high	97.7	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-67.6	-47.4	177.8	-173.2	67.3	0	0	0	110.9	E57 V59 A82 L83 Q84 N88 R89 T90 V160 A316 L318	E57-L86 HydrophobicContact CB-CD1 4.25Å; E57-L86 HydrophobicContact CG-CD1 4.25Å; V59-L86 HydrophobicContact CG1-CD1 4.17Å; V59-L86 HydrophobicContact CG2-CB 3.69Å; V59-L86 HydrophobicContact CG2-CD1 4.11Å; V59-L86 HydrophobicContact CG2-CG 4.49Å; A82-L86 PolarHBondContact O-N 3.15Å; L83-L86 PolarHBondContact O-N 3.13Å; Q84-L86 VanDerWaalsContact C-N 3.3Å; Q84-L86 PolarHBondContact O-N 3.41Å; L86-N88 VanDerWaalsContact C-N 3.33Å; L86-N88 PolarHBondContact O-N 2.97Å; L86-R89 PolarHBondContact O-N 2.91Å; L86-T90 HydrophobicContact CD1-CG2 3.93Å; L86-T90 HydrophobicContact CG-CG2 4.34Å; L86-T90 WeakPolarHBondContact O-CB 3.26Å; L86-T90 WeakPolarHBondContact O-CG2 3.16Å; L86-T90 PolarHBondContact O-N 2.92Å; L86-T90 PolarHBondContact O-OG1 3.34Å; L86-V160 HydrophobicContact CD2-CG1 3.74Å; L86-V160 HydrophobicContact CD2-CG2 4.16Å; L86-A316 HydrophobicContact CB-CB 4Å; L86-A316 HydrophobicContact CD2-CB 3.86Å; L86-A316 HydrophobicContact CG-CB 4.43Å; L86-L318 HydrophobicContact CD1-CB 4.24Å; L86-L318 HydrophobicContact CD2-CB 4.19Å
87	L	98.3	Very high	97.7	Very high	14 Å²	14	39.9 Å²	39.9	7%	0.073	22%	0.219	C	C	.	.	H	α-helix	trans	-56.5	-47.8	175.8	-74.7	177.2	0	0	0	111.2	L83 Q84 R89 G91 I92 K94 F124	L83-L87 WeakPolarHBondContact O-CG 3.43Å; L83-L87 PolarHBondContact O-N 3.06Å; Q84-L87 PolarHBondContact O-N 3.44Å; L87-R89 PolarHBondContact O-N 2.93Å; L87-G91 WeakPolarHBondContact O-CA 3.36Å; L87-G91 PolarHBondContact O-N 2.89Å; L87-I92 HydrophobicContact CD2-CG2 3.67Å; L87-K94 HydrophobicContact CD1-CD 4.36Å; L87-K94 HydrophobicContact CD2-CG 4.36Å; L87-F124 HydrophobicContact CD1-CD2 4.27Å; L87-F124 HydrophobicContact CD1-CE1 4.35Å; L87-F124 HydrophobicContact CD1-CE2 3.81Å; L87-F124 HydrophobicContact CD1-CZ 3.86Å; L87-F124 HydrophobicContact CD2-CD1 4.42Å; L87-F124 HydrophobicContact CD2-CE1 3.58Å; L87-F124 HydrophobicContact CD2-CE2 4.34Å; L87-F124 HydrophobicContact CD2-CZ 3.54Å; L87-F124 HydrophobicContact CG-CE1 4.19Å; L87-F124 HydrophobicContact CG-CE2 4.06Å; L87-F124 HydrophobicContact CG-CZ 3.65Å
88	N	97.9	Very high	97.8	Very high	137 Å²	137	42 Å²	42	73%	0.733	23%	0.23	S	C	*	.	H	α-helix	trans	-65.6	-37.9	-179.5	-69.1	-15.5	0	0	0	112.4	Q84 L86	Q84-N88 WeakPolarHBondContact O-CB 3.24Å; Q84-N88 PolarHBondContact O-N 3.47Å; Q84-N88 PolarHBondContact O-ND2 2.97Å; L86-N88 VanDerWaalsContact C-N 3.33Å; L86-N88 PolarHBondContact O-N 2.97Å
89	R	97.8	Very high	97.8	Very high	99 Å²	99	44.2 Å²	44.2	37%	0.374	24%	0.239	S	C	.	.	H	α-helix	trans	-76.1	-37	-178.7	-174.5	168	-68.5	179.9	-7	112.9	E57 V59 G85 L86 L87 E261 V263	E57-R89 HydrophobicContact CG-CG 4.07Å; E57-R89 WeakPolarHBondContact OE2-CD 3.43Å; V59-R89 HydrophobicContact CG1-CB 4.33Å; G85-R89 VanDerWaalsContact O-CB 3.29Å; G85-R89 WeakPolarHBondContact O-CB 3.05Å; G85-R89 PolarHBondContact O-N 3.06Å; L86-R89 PolarHBondContact O-N 2.91Å; L87-R89 PolarHBondContact O-N 2.93Å; R89-E261 PolarHBondContact NH1-O 3.48Å; R89-E261 PolarHBondContact NH2-O 3.01Å; R89-V263 PolarHBondContact NH2-O 2.64Å
90	T	97.9	Very high	97.8	Very high	22 Å²	22	44.2 Å²	44.2	14%	0.135	24%	0.239	C	C	.	.	H	α-helix	trans	-90.2	-27.8	-176.3	57.5	0	0	0	0	112.8	E57 L86 I92 L318 F330	E57-T90 HydrophobicContact CB-CG2 3.51Å; E57-T90 HydrophobicContact CG-CG2 3.89Å; L86-T90 HydrophobicContact CD1-CG2 3.93Å; L86-T90 HydrophobicContact CG-CG2 4.34Å; L86-T90 WeakPolarHBondContact O-CB 3.26Å; L86-T90 WeakPolarHBondContact O-CG2 3.16Å; L86-T90 PolarHBondContact O-N 2.92Å; L86-T90 PolarHBondContact O-OG1 3.34Å; T90-I92 PolarHBondContact O-N 3.33Å; T90-I92 WeakPolarHBondContact OG1-CG2 3.38Å; T90-I92 PolarHBondContact OG1-N 2.85Å; T90-L318 HydrophobicContact CG2-CD2 3.95Å; T90-F330 WeakPolarHBondContact O-CE1 3.41Å
91	G	97.3	Very high	97.8	Very high	60 Å²	60	41.1 Å²	41.1	62%	0.619	23%	0.227	S	C	*	.			trans	64.1	17	-171.1	0	0	0	0	0	113.3	L87	L87-G91 WeakPolarHBondContact O-CA 3.36Å; L87-G91 PolarHBondContact O-N 2.89Å
92	I	97.4	Very high	97.8	Very high	8 Å²	8	40.9 Å²	40.9	4%	0.041	23%	0.225	C	C	.	.			trans	-61.2	133.6	-178.3	-170.4	168.2	0	0	0	110.6	L87 T90 K94 V97 V158 L318 M328 F330	L87-I92 HydrophobicContact CD2-CG2 3.67Å; T90-I92 PolarHBondContact O-N 3.33Å; T90-I92 WeakPolarHBondContact OG1-CG2 3.38Å; T90-I92 PolarHBondContact OG1-N 2.85Å; I92-K94 PolarHBondContact O-N 3.47Å; I92-V97 HydrophobicContact CD1-CG2 3.85Å; I92-V158 HydrophobicContact CD1-CG1 3.62Å; I92-L318 HydrophobicContact CB-CD2 4.39Å; I92-L318 HydrophobicContact CD1-CD1 3.57Å; I92-L318 HydrophobicContact CD1-CD2 3.78Å; I92-L318 HydrophobicContact CD1-CG 4.33Å; I92-M328 HydrophobicContact CG1-CE 4.26Å; I92-F330 HydrophobicContact CB-CZ 4.09Å; I92-F330 HydrophobicContact CG1-CZ 4.36Å
93	P	96.4	Very high	97.8	Very high	62 Å²	62	40.9 Å²	40.9	40%	0.403	23%	0.225	S	C	.	.			trans	-58.5	130.8	172.5	-23.1	33.5	0	0	0	110.5	D95 A96 M328	P93-D95 VanDerWaalsContact CB-OD1 3.28Å; P93-D95 WeakPolarHBondContact CB-OD1 3.41Å; P93-D95 PolarHBondContact O-N 3.23Å; P93-D95 VanDerWaalsContact O-N 3.13Å; P93-A96 HydrophobicContact CB-CB 3.96Å; P93-A96 HydrophobicContact CG-CB 4.35Å; P93-A96 WeakPolarHBondContact O-CB 3.44Å; P93-A96 PolarHBondContact O-N 2.88Å; P93-M328 HydrophobicContact CG-CE 4.46Å
94	K	94.7	Very high	97.7	Very high	102 Å²	102	41.1 Å²	41.1	44%	0.443	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.3	-171.8	-53.3	-164.5	-167.7	-178.6	0	113.8	L87 I92 G123 I128	L87-K94 HydrophobicContact CD1-CD 4.36Å; L87-K94 HydrophobicContact CD2-CG 4.36Å; I92-K94 PolarHBondContact O-N 3.47Å; K94-G123 WeakPolarHBondContact CD-O 3.39Å; K94-G123 PolarHBondContact NZ-O 2.86Å; K94-I128 WeakPolarHBondContact O-CD1 3.27Å
95	D	94.5	Very high	97.6	Very high	125 Å²	125	39.9 Å²	39.9	67%	0.668	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-9.4	177.6	61.8	-28.9	0	0	0	113.3	P93 V97	P93-D95 VanDerWaalsContact CB-OD1 3.28Å; P93-D95 WeakPolarHBondContact CB-OD1 3.41Å; P93-D95 PolarHBondContact O-N 3.23Å; P93-D95 VanDerWaalsContact O-N 3.13Å; D95-V97 VanDerWaalsContact C-N 3.35Å
96	A	96.1	Very high	97.3	Very high	24 Å²	24	41.2 Å²	41.2	20%	0.198	23%	0.228	C	C	.	.	S	Bend	trans	-84	-8.5	177.4	0	0	0	0	0	113.7	P93 V158 M328	P93-A96 HydrophobicContact CB-CB 3.96Å; P93-A96 HydrophobicContact CG-CB 4.35Å; P93-A96 WeakPolarHBondContact O-CB 3.44Å; P93-A96 PolarHBondContact O-N 2.88Å; A96-V158 VanDerWaalsContact O-CB 3.28Å; A96-V158 WeakPolarHBondContact O-CB 3.33Å; A96-V158 WeakPolarHBondContact O-CG2 3.37Å; A96-M328 HydrophobicContact CB-CE 3.86Å
97	V	98.3	Very high	97	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.018	25%	0.249	C	C	.	.			trans	-83.5	127.8	174.7	173.9	0	0	0	0	109	I92 D95 Y99 F124 I128 V158 V160	I92-V97 HydrophobicContact CD1-CG2 3.85Å; D95-V97 VanDerWaalsContact C-N 3.35Å; V97-Y99 VanDerWaalsContact CG1-O 3.27Å; V97-Y99 WeakPolarHBondContact CG1-O 3.43Å; V97-F124 HydrophobicContact CB-CD1 4.48Å; V97-F124 HydrophobicContact CB-CE1 4.42Å; V97-F124 HydrophobicContact CG2-CD1 4.43Å; V97-F124 HydrophobicContact CG2-CE1 3.95Å; V97-I128 HydrophobicContact CB-CD1 3.84Å; V97-I128 HydrophobicContact CG1-CD1 4.29Å; V97-I128 HydrophobicContact CG1-CG2 4.18Å; V97-I128 VanDerWaalsContact O-CD1 3.22Å; V97-I128 WeakPolarHBondContact O-CD1 3.26Å; V97-I128 VanDerWaalsContact O-CG1 3.23Å; V97-I128 WeakPolarHBondContact O-CG1 3.47Å; V97-V158 HydrophobicContact CB-CG1 4.44Å; V97-V158 HydrophobicContact CG2-CG1 4.01Å; V97-V160 HydrophobicContact CG1-CB 4.49Å; V97-V160 HydrophobicContact CG1-CG2 3.98Å; V97-V160 HydrophobicContact CG2-CG2 3.95Å
98	D	98.5	Very high	96.8	Very high	67 Å²	67	46.2 Å²	46.2	36%	0.358	25%	0.251	S	S	.	.			trans	-86.6	-32.9	-178	-56.5	-47.8	0	0	0	112	P129 C156 D157 V158	D98-P129 WeakPolarHBondContact O-CD 3.48Å; D98-C156 HydrophobicContact CB-CB 3.73Å; D98-D157 PolarHBondContact OD2-N 2.91Å; D98-V158 WeakPolarHBondContact CB-O 3.49Å; D98-V158 PolarHBondContact N-O 3.13Å; D98-V158 PolarHBondContact OD2-N 2.87Å
99	Y	98.8	Very high	96.5	Very high	47 Å²	47	45.2 Å²	45.2	18%	0.184	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	153.4	-173.2	-148.4	-81.6	0	0	0	112.2	V97 I101 P129 H131 M150 I159 V160	V97-Y99 VanDerWaalsContact CG1-O 3.27Å; V97-Y99 WeakPolarHBondContact CG1-O 3.43Å; Y99-I101 HydrophobicContact CD1-CD1 4.08Å; Y99-I101 HydrophobicContact CD1-CG1 3.56Å; Y99-I101 HydrophobicContact CE1-CD1 4.27Å; Y99-I101 HydrophobicContact CE1-CG1 3.74Å; Y99-P129 HydrophobicContact CD2-CB 4.05Å; Y99-P129 HydrophobicContact CD2-CG 3.38Å; Y99-P129 HydrophobicContact CE2-CB 3.64Å; Y99-P129 HydrophobicContact CE2-CG 3.46Å; Y99-P129 VanDerWaalsContact CE2-CG 3.46Å; Y99-P129 HydrophobicContact CG-CG 4.28Å; Y99-H131 AromaticContact CE1-CE1 3.67Å; Y99-H131 AromaticContact CE1-ND1 3.2Å; Y99-H131 WeakPolarHBondContact CE1-ND1 3.27Å; Y99-H131 AromaticContact CZ-ND1 3.46Å; Y99-H131 PolarHBondContact OH-ND1 2.75Å; Y99-M150 HydrophobicContact CD1-CE 4.22Å; Y99-M150 HydrophobicContact CD1-SD 4.24Å; Y99-M150 HydrophobicContact CD2-CE 3.5Å; Y99-M150 VanDerWaalsContact CD2-CE 3.5Å; Y99-M150 HydrophobicContact CE1-SD 4.46Å; Y99-M150 HydrophobicContact CE2-CE 3.82Å; Y99-M150 HydrophobicContact CG-CE 3.74Å; Y99-M150 HydrophobicContact CG-SD 4.31Å; Y99-I159 WeakPolarHBondContact O-CA 3.43Å; Y99-I159 WeakPolarHBondContact O-CG2 3.25Å; Y99-V160 PolarHBondContact O-N 3.28Å
100	L	98.7	Very high	96.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	132.7	173.7	-172	154.6	0	0	0	112.7	L83 Y102 A115 A119 F124 I128 P129 S130 H131 V160	L83-L100 HydrophobicContact CD1-CD1 4.06Å; L83-L100 HydrophobicContact CD2-CD1 3.73Å; L100-Y102 HydrophobicContact CD2-CD2 3.59Å; L100-Y102 HydrophobicContact CD2-CE2 4.08Å; L100-Y102 HydrophobicContact CD2-CG 4.42Å; L100-Y102 HydrophobicContact CG-CD2 4.36Å; L100-Y102 HydrophobicContact CG-CE2 4.49Å; L100-A115 HydrophobicContact CD2-CB 3.81Å; L100-A119 HydrophobicContact CD1-CB 3.73Å; L100-A119 HydrophobicContact CD2-CB 4.35Å; L100-F124 HydrophobicContact CD1-CD2 4.15Å; L100-F124 HydrophobicContact CD1-CE2 4.07Å; L100-F124 HydrophobicContact CD1-CZ 4.41Å; L100-I128 HydrophobicContact CB-CG2 4.45Å; L100-P129 PolarHBondContact N-O 2.97Å; L100-P129 VanDerWaalsContact N-O 3.1Å; L100-S130 CarbonylContact O-C 3.56Å; L100-S130 WeakPolarHBondContact O-CA 3.38Å; L100-S130 VanDerWaalsContact O-CB 3.24Å; L100-S130 WeakPolarHBondContact O-CB 3.33Å; L100-H131 PolarHBondContact O-N 2.68Å; L100-H131 VanDerWaalsContact O-N 3.15Å; L100-V160 CarbonylContact C-O 3.55Å; L100-V160 VanDerWaalsContact CA-O 3.26Å; L100-V160 WeakPolarHBondContact CA-O 3.27Å; L100-V160 HydrophobicContact CD1-CB 4.12Å; L100-V160 HydrophobicContact CD1-CG1 4.1Å; L100-V160 HydrophobicContact CG-CB 4.1Å; L100-V160 HydrophobicContact CG-CG1 4.21Å
101	I	98.8	Very high	96.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	125.5	-177.3	-47.3	178	0	0	0	110.2	Y99 H131 V133 A143 A147 M150 I159 V160 A161 G162	Y99-I101 HydrophobicContact CD1-CD1 4.08Å; Y99-I101 HydrophobicContact CD1-CG1 3.56Å; Y99-I101 HydrophobicContact CE1-CD1 4.27Å; Y99-I101 HydrophobicContact CE1-CG1 3.74Å; I101-H131 WeakPolarHBondContact CA-O 3.44Å; I101-H131 WeakPolarHBondContact CG2-NE2 3.5Å; I101-V133 HydrophobicContact CG2-CG1 4.09Å; I101-A143 HydrophobicContact CB-CB 4.24Å; I101-A143 HydrophobicContact CG2-CB 3.83Å; I101-A147 HydrophobicContact CD1-CB 4.35Å; I101-M150 HydrophobicContact CD1-SD 4.01Å; I101-I159 HydrophobicContact CG1-CG2 4.45Å; I101-V160 PolarHBondContact N-O 2.76Å; I101-A161 CarbonylContact O-C 3.59Å; I101-A161 VanDerWaalsContact O-CA 3.26Å; I101-A161 WeakPolarHBondContact O-CA 3.28Å; I101-G162 PolarHBondContact O-N 2.73Å
102	Y	98.6	Very high	96.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.8	179.6	-100.3	-124.5	0	0	0	112.9	A79 L83 L100 H131 T132 V133 V160 G162 S315 A316	A79-Y102 HydrophobicContact CB-CD1 3.99Å; A79-Y102 HydrophobicContact CB-CE1 3.78Å; L83-Y102 HydrophobicContact CD2-CE2 3.6Å; L83-Y102 WeakPolarHBondContact CD2-OH 3.06Å; L83-Y102 HydrophobicContact CG-CE2 4.15Å; L83-Y102 VanDerWaalsContact CG-OH 3.31Å; L83-Y102 WeakPolarHBondContact CG-OH 3.25Å; L100-Y102 HydrophobicContact CD2-CD2 3.59Å; L100-Y102 HydrophobicContact CD2-CE2 4.08Å; L100-Y102 HydrophobicContact CD2-CG 4.42Å; L100-Y102 HydrophobicContact CG-CD2 4.36Å; L100-Y102 HydrophobicContact CG-CE2 4.49Å; Y102-H131 PolarHBondContact N-O 2.91Å; Y102-T132 CarbonylContact O-C 3.59Å; Y102-T132 VanDerWaalsContact O-CA 3.3Å; Y102-T132 WeakPolarHBondContact O-CA 3.48Å; Y102-V133 PolarHBondContact O-N 3.29Å; Y102-V160 HydrophobicContact CE2-CG1 4.41Å; Y102-G162 WeakPolarHBondContact CA-O 3.49Å; Y102-S315 PolarHBondContact OH-O 2.85Å; Y102-S315 VanDerWaalsContact OH-O 3.08Å; Y102-A316 WeakPolarHBondContact OH-CB 3.03Å
103	G	98.6	Very high	96.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	134.2	173.1	0	0	0	0	0	113	V133 G162 G163 V164	G103-V133 VanDerWaalsContact CA-O 3.27Å; G103-V133 WeakPolarHBondContact CA-O 3.45Å; G103-G162 PolarHBondContact N-O 2.89Å; G103-G163 CarbonylContact O-C 3.45Å; G103-G163 WeakPolarHBondContact O-CA 3.29Å; G103-V164 PolarHBondContact O-N 3.1Å
104	T	98.3	Very high	96.3	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.031	25%	0.25	C	C	.	.			trans	-153.9	150.6	168.3	-163.9	0	0	0	0	110.8	V114 T132 V133 T134 V164	T104-V114 HydrophobicContact CG2-CG1 3.85Å; T104-T132 HydrophobicContact CG2-CG2 3.55Å; T104-V133 PolarHBondContact N-O 3.36Å; T104-T134 WeakPolarHBondContact O-CB 3.33Å; T104-T134 WeakPolarHBondContact O-CG2 3.48Å; T104-T134 PolarHBondContact O-OG1 3.48Å; T104-V164 WeakPolarHBondContact CA-O 3.42Å; T104-V164 VanDerWaalsContact CB-O 3.29Å; T104-V164 WeakPolarHBondContact CB-O 3.45Å; T104-V164 PolarHBondContact OG1-O 3.44Å
105	V	95.9	Very high	96.5	Very high	49 Å²	49	42.7 Å²	42.7	30%	0.297	23%	0.229	S	C	.	.	S	Bend	trans	-104.7	-53	179.2	-176.1	0	0	0	0	111.5	Q107 A136 E165 F429	V105-Q107 PolarHBondContact O-N 2.9Å; V105-A136 WeakPolarHBondContact CG2-O 3.16Å; V105-E165 VanDerWaalsContact CB-OE2 3.3Å; V105-E165 WeakPolarHBondContact CB-OE2 3.08Å; V105-E165 PolarHBondContact N-OE2 3.18Å; V105-F429 HydrophobicContact CB-CB 4.19Å; V105-F429 HydrophobicContact CB-CD2 4.32Å; V105-F429 HydrophobicContact CG2-CB 3.61Å
106	I	92.9	Very high	96.6	Very high	40 Å²	40	39.7 Å²	39.7	21%	0.205	21%	0.208	C	C	.	.	S	Bend	trans	-87.8	105.2	-179.2	-54.2	177.7	0	0	0	107.9	E165 M167 V170 F429	I106-E165 VanDerWaalsContact CB-OE1 3.27Å; I106-E165 WeakPolarHBondContact CB-OE1 3.47Å; I106-E165 WeakPolarHBondContact CG1-OE1 3.31Å; I106-E165 PolarHBondContact N-OE1 3.44Å; I106-M167 HydrophobicContact CD1-CE 4.43Å; I106-V170 HydrophobicContact CD1-CG1 3.8Å; I106-V170 HydrophobicContact CG2-CG1 4.41Å; I106-F429 HydrophobicContact CD1-CE2 4.47Å
107	Q	91.5	Very high	96.8	Very high	96 Å²	96	42.7 Å²	42.7	45%	0.449	22%	0.218	S	C	.	.			trans	-78.6	126.5	-176.1	-166.1	-178.3	-51.9	0	0	111.6	V105 S112	V105-Q107 PolarHBondContact O-N 2.9Å; Q107-S112 PolarHBondContact NE2-OG 3.49Å; Q107-S112 VanDerWaalsContact NE2-OG 3.09Å
108	E	93.4	Very high	96.8	Very high	24 Å²	24	42.6 Å²	42.6	11%	0.112	22%	0.217	C	C	.	.			trans	-78.7	121.6	162.8	170.2	45.3	-127.1	0	0	109.5	P75 K110 T111 S112	P75-E108 HydrophobicContact CG-CB 3.55Å; P75-E108 HydrophobicContact CG-CG 4.36Å; E108-K110 VanDerWaalsContact C-N 3.28Å; E108-K110 HydrophobicContact CG-CB 4.35Å; E108-K110 PolarHBondContact O-N 3.48Å; E108-K110 WeakPolarHBondContact OE1-CB 3.35Å; E108-K110 WeakPolarHBondContact OE1-CG 3.44Å; E108-K110 PolarHBondContact OE1-N 3.11Å; E108-T111 CarbonylContact O-C 3.38Å; E108-T111 VanDerWaalsContact O-C 3.24Å; E108-T111 PolarHBondContact O-N 3.35Å; E108-T111 VanDerWaalsContact O-N 3.09Å; E108-S112 PolarHBondContact O-N 3.09Å
109	V	92.4	Very high	96.8	Very high	116 Å²	116	39.6 Å²	39.6	70%	0.703	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-64.4	-31.9	-171.7	66.8	0	0	0	0	112.9	T111	V109-T111 VanDerWaalsContact C-N 3.3Å; V109-T111 PolarHBondContact O-N 3.22Å
110	K	94.3	Very high	96.7	Very high	163 Å²	163	40.1 Å²	40.1	71%	0.709	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-70.4	-26.9	176.9	-67.4	176.5	-178	172.9	0	112.8	E108	E108-K110 VanDerWaalsContact C-N 3.28Å; E108-K110 HydrophobicContact CG-CB 4.35Å; E108-K110 PolarHBondContact O-N 3.48Å; E108-K110 WeakPolarHBondContact OE1-CB 3.35Å; E108-K110 WeakPolarHBondContact OE1-CG 3.44Å; E108-K110 PolarHBondContact OE1-N 3.11Å
111	T	95.7	Very high	96.7	Very high	12 Å²	12	41.9 Å²	41.9	7%	0.074	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-120.8	57.6	-178.6	61.2	0	0	0	0	110.1	H76 E108 V109 N113 V114 E117	H76-T111 HydrophobicContact CB-CG2 4.04Å; E108-T111 CarbonylContact O-C 3.38Å; E108-T111 VanDerWaalsContact O-C 3.24Å; E108-T111 PolarHBondContact O-N 3.35Å; E108-T111 VanDerWaalsContact O-N 3.09Å; V109-T111 VanDerWaalsContact C-N 3.3Å; V109-T111 PolarHBondContact O-N 3.22Å; T111-N113 CarbonylContact O-C 3.6Å; T111-N113 PolarHBondContact O-N 3.02Å; T111-N113 VanDerWaalsContact O-N 3.08Å; T111-V114 PolarHBondContact O-N 3.39Å; T111-V114 VanDerWaalsContact O-N 3.1Å; T111-E117 HydrophobicContact CG2-CB 4.25Å; T111-E117 HydrophobicContact CG2-CG 4.15Å
112	S	95.4	Very high	96.6	Very high	73 Å²	73	42.1 Å²	42.1	51%	0.51	23%	0.228	S	C	.	.	S	Bend	trans	-53	-33.8	-176.8	-177.2	0	0	0	0	113.2	Q107 E108	Q107-S112 PolarHBondContact NE2-OG 3.49Å; Q107-S112 VanDerWaalsContact NE2-OG 3.09Å; E108-S112 PolarHBondContact O-N 3.09Å
113	N	98.3	Very high	96.5	Very high	49 Å²	49	43.6 Å²	43.6	26%	0.262	24%	0.243	S	C	.	.	S	Bend	trans	-107.5	77.7	169.3	-171.1	-3	0	0	0	109	T111 A115 R116 E117 S130 H131 T132	T111-N113 CarbonylContact O-C 3.6Å; T111-N113 PolarHBondContact O-N 3.02Å; T111-N113 VanDerWaalsContact O-N 3.08Å; N113-A115 PolarHBondContact O-N 3.48Å; N113-A115 VanDerWaalsContact O-N 3.16Å; N113-A115 WeakPolarHBondContact OD1-CB 3.12Å; N113-R116 HydrophobicContact CB-CB 4.11Å; N113-R116 PolarHBondContact O-N 2.71Å; N113-R116 PolarHBondContact OD1-N 3.46Å; N113-E117 PolarHBondContact O-N 2.99Å; N113-S130 PolarHBondContact ND2-O 2.95Å; N113-H131 WeakPolarHBondContact OD1-CA 3.3Å; N113-T132 VanDerWaalsContact C-OG1 3.28Å; N113-T132 WeakPolarHBondContact CA-OG1 3.27Å; N113-T132 PolarHBondContact OD1-N 2.95Å; N113-T132 VanDerWaalsContact OD1-N 3.13Å; N113-T132 PolarHBondContact OD1-OG1 3.42Å
114	V	98.3	Very high	96.5	Very high	4 Å²	4	44 Å²	44	2%	0.024	25%	0.245	C	C	.	.	H	α-helix	trans	-54.7	-35.1	-177.8	74.2	0	0	0	0	111.9	H76 A79 T104 T111 R116 A118 T132 V164	H76-V114 HydrophobicContact CB-CG2 3.81Å; A79-V114 HydrophobicContact CB-CG2 4.48Å; T104-V114 HydrophobicContact CG2-CG1 3.85Å; T111-V114 PolarHBondContact O-N 3.39Å; T111-V114 VanDerWaalsContact O-N 3.1Å; V114-R116 VanDerWaalsContact C-N 3.34Å; V114-R116 PolarHBondContact O-N 3.33Å; V114-A118 WeakPolarHBondContact O-CB 3.35Å; V114-A118 PolarHBondContact O-N 3.49Å; V114-T132 HydrophobicContact CG1-CG2 3.74Å; V114-T132 PolarHBondContact N-OG1 3.25Å; V114-V164 HydrophobicContact CG1-CG1 4.08Å; V114-V164 HydrophobicContact CG2-CG1 3.87Å
115	A	98.5	Very high	96.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-55.9	-48.2	175.2	0	0	0	0	0	111.7	L100 N113 A119 H131 T132	L100-A115 HydrophobicContact CD2-CB 3.81Å; N113-A115 PolarHBondContact O-N 3.48Å; N113-A115 VanDerWaalsContact O-N 3.16Å; N113-A115 WeakPolarHBondContact OD1-CB 3.12Å; A115-A119 WeakPolarHBondContact O-CB 3.22Å; A115-A119 PolarHBondContact O-N 3.09Å; A115-H131 WeakPolarHBondContact CB-O 3.44Å; A115-T132 PolarHBondContact N-OG1 3.45Å; A115-T132 VanDerWaalsContact N-OG1 3.08Å
116	R	98.5	Very high	96.3	Very high	62 Å²	62	48.9 Å²	48.9	23%	0.234	27%	0.272	C	S	.	.	H	α-helix	trans	-68.7	-49.9	-176.6	-179.2	58	179.1	-177	0.3	112.2	N113 V114 A118 A119 L120 D126 I128 S130	N113-R116 HydrophobicContact CB-CB 4.11Å; N113-R116 PolarHBondContact O-N 2.71Å; N113-R116 PolarHBondContact OD1-N 3.46Å; V114-R116 VanDerWaalsContact C-N 3.34Å; V114-R116 PolarHBondContact O-N 3.33Å; R116-A118 VanDerWaalsContact C-N 3.31Å; R116-A118 PolarHBondContact O-N 2.82Å; R116-A119 PolarHBondContact O-N 3.41Å; R116-L120 HydrophobicContact CG-CD1 4.24Å; R116-L120 WeakPolarHBondContact O-CG 3.19Å; R116-L120 PolarHBondContact O-N 3.06Å; R116-D126 PolarHBondContact NH1-O 3.09Å; R116-D126 VanDerWaalsContact NH1-O 3.13Å; R116-D126 PolarHBondContact NH2-O 3.46Å; R116-I128 PolarHBondContact NH1-O 3.12Å; R116-S130 WeakPolarHBondContact CA-OG 3.27Å; R116-S130 VanDerWaalsContact CB-OG 3.23Å; R116-S130 WeakPolarHBondContact CB-OG 3.39Å; R116-S130 VanDerWaalsContact CD-OG 3.25Å; R116-S130 WeakPolarHBondContact CD-OG 3.48Å; R116-S130 PolarHBondContact N-OG 3.22Å
117	E	98.6	Very high	96.5	Very high	87 Å²	87	55.9 Å²	55.9	41%	0.407	30%	0.301	S	S	.	.	H	α-helix	trans	-65.6	-38.8	-177.2	-56.9	-50.5	141.5	0	0	111.3	T111 N113 G121	T111-E117 HydrophobicContact CG2-CB 4.25Å; T111-E117 HydrophobicContact CG2-CG 4.15Å; N113-E117 PolarHBondContact O-N 2.99Å; E117-G121 PolarHBondContact O-N 3Å
118	A	98.4	Very high	96.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-39.5	174.8	0	0	0	0	0	112.6	A79 R80 L83 V114 R116 G121 A122	A79-A118 HydrophobicContact CB-CB 3.48Å; A79-A118 VanDerWaalsContact CB-CB 3.48Å; R80-A118 HydrophobicContact CB-CB 4.47Å; L83-A118 HydrophobicContact CD1-CB 3.94Å; V114-A118 WeakPolarHBondContact O-CB 3.35Å; V114-A118 PolarHBondContact O-N 3.49Å; R116-A118 VanDerWaalsContact C-N 3.31Å; R116-A118 PolarHBondContact O-N 2.82Å; A118-G121 PolarHBondContact O-N 2.84Å; A118-A122 VanDerWaalsContact O-CB 3.3Å; A118-A122 WeakPolarHBondContact O-CB 3.31Å; A118-A122 PolarHBondContact O-N 2.89Å
119	A	98.4	Very high	97	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.033	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-47	178.1	0	0	0	0	0	112.1	L83 L100 A115 R116 A122 G123 F124	L83-A119 HydrophobicContact CD1-CB 4.43Å; L100-A119 HydrophobicContact CD1-CB 3.73Å; L100-A119 HydrophobicContact CD2-CB 4.35Å; A115-A119 WeakPolarHBondContact O-CB 3.22Å; A115-A119 PolarHBondContact O-N 3.09Å; R116-A119 PolarHBondContact O-N 3.41Å; A119-A122 PolarHBondContact O-N 3.22Å; A119-G123 PolarHBondContact O-N 3.46Å; A119-G123 VanDerWaalsContact O-N 3.15Å; A119-F124 HydrophobicContact CB-CB 4.38Å; A119-F124 HydrophobicContact CB-CD2 4.23Å; A119-F124 PolarHBondContact O-N 2.84Å; A119-F124 VanDerWaalsContact O-N 3.08Å
120	L	98.3	Very high	97.3	Very high	58 Å²	58	48.5 Å²	48.5	30%	0.304	27%	0.265	S	S	.	.	H	α-helix	trans	-59.5	-47.6	174.6	-68.9	176.1	0	0	0	110.9	R116 A122 G123 D126	R116-L120 HydrophobicContact CG-CD1 4.24Å; R116-L120 WeakPolarHBondContact O-CG 3.19Å; R116-L120 PolarHBondContact O-N 3.06Å; L120-A122 VanDerWaalsContact C-N 3.3Å; L120-A122 PolarHBondContact O-N 3.38Å; L120-G123 WeakPolarHBondContact O-CA 3.4Å; L120-G123 PolarHBondContact O-N 2.95Å; L120-D126 WeakPolarHBondContact CD2-OD1 3.36Å
121	G	97.2	Very high	97.5	Very high	37 Å²	37	43.6 Å²	43.6	38%	0.381	25%	0.245	S	C	.	.	H	α-helix	trans	-64.3	-30.4	177.4	0	0	0	0	0	114.2	R80 E117 A118 G123	R80-G121 VanDerWaalsContact CD-O 3.31Å; R80-G121 WeakPolarHBondContact CD-O 3.31Å; E117-G121 PolarHBondContact O-N 3Å; A118-G121 PolarHBondContact O-N 2.84Å; G121-G123 PolarHBondContact O-N 3.44Å
122	A	97.7	Very high	97.7	Very high	6 Å²	6	44.5 Å²	44.5	5%	0.05	25%	0.25	C	S	.	.	H	α-helix	trans	-76	-12.9	174.6	0	0	0	0	0	112.4	R80 L83 Q84 A118 A119 L120 F124	R80-A122 HydrophobicContact CG-CB 4.23Å; L83-A122 HydrophobicContact CB-CB 3.61Å; L83-A122 HydrophobicContact CD1-CB 4.15Å; Q84-A122 HydrophobicContact CG-CB 3.91Å; A118-A122 VanDerWaalsContact O-CB 3.3Å; A118-A122 WeakPolarHBondContact O-CB 3.31Å; A118-A122 PolarHBondContact O-N 2.89Å; A119-A122 PolarHBondContact O-N 3.22Å; L120-A122 VanDerWaalsContact C-N 3.3Å; L120-A122 PolarHBondContact O-N 3.38Å; A122-F124 HydrophobicContact CB-CD2 3.97Å; A122-F124 HydrophobicContact CB-CE2 4.08Å
123	G	96.8	Very high	97.8	Very high	31 Å²	31	42.3 Å²	42.3	32%	0.32	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	20	176.9	0	0	0	0	0	114.1	K94 A119 L120 G121	K94-G123 WeakPolarHBondContact CD-O 3.39Å; K94-G123 PolarHBondContact NZ-O 2.86Å; A119-G123 PolarHBondContact O-N 3.46Å; A119-G123 VanDerWaalsContact O-N 3.15Å; L120-G123 WeakPolarHBondContact O-CA 3.4Å; L120-G123 PolarHBondContact O-N 2.95Å; G121-G123 PolarHBondContact O-N 3.44Å
124	F	97.4	Very high	97.8	Very high	9 Å²	9	43.8 Å²	43.8	4%	0.039	24%	0.244	C	C	.	.			trans	-59.8	155.7	165.8	-75.1	-83.3	0	0	0	110.5	L83 L87 V97 L100 A119 A122 I128 V160	L83-F124 HydrophobicContact CB-CE2 4.02Å; L83-F124 HydrophobicContact CD1-CE2 4.23Å; L83-F124 HydrophobicContact CD2-CE2 3.85Å; L83-F124 HydrophobicContact CD2-CZ 4.29Å; L83-F124 HydrophobicContact CG-CE2 4.24Å; L87-F124 HydrophobicContact CD1-CD2 4.27Å; L87-F124 HydrophobicContact CD1-CE1 4.35Å; L87-F124 HydrophobicContact CD1-CE2 3.81Å; L87-F124 HydrophobicContact CD1-CZ 3.86Å; L87-F124 HydrophobicContact CD2-CD1 4.42Å; L87-F124 HydrophobicContact CD2-CE1 3.58Å; L87-F124 HydrophobicContact CD2-CE2 4.34Å; L87-F124 HydrophobicContact CD2-CZ 3.54Å; L87-F124 HydrophobicContact CG-CE1 4.19Å; L87-F124 HydrophobicContact CG-CE2 4.06Å; L87-F124 HydrophobicContact CG-CZ 3.65Å; V97-F124 HydrophobicContact CB-CD1 4.48Å; V97-F124 HydrophobicContact CB-CE1 4.42Å; V97-F124 HydrophobicContact CG2-CD1 4.43Å; V97-F124 HydrophobicContact CG2-CE1 3.95Å; L100-F124 HydrophobicContact CD1-CD2 4.15Å; L100-F124 HydrophobicContact CD1-CE2 4.07Å; L100-F124 HydrophobicContact CD1-CZ 4.41Å; A119-F124 HydrophobicContact CB-CB 4.38Å; A119-F124 HydrophobicContact CB-CD2 4.23Å; A119-F124 PolarHBondContact O-N 2.84Å; A119-F124 VanDerWaalsContact O-N 3.08Å; A122-F124 HydrophobicContact CB-CD2 3.97Å; A122-F124 HydrophobicContact CB-CE2 4.08Å; F124-I128 HydrophobicContact CB-CD1 4.14Å; F124-I128 HydrophobicContact CD1-CD1 4.02Å; F124-V160 HydrophobicContact CE1-CG2 4.24Å; F124-V160 HydrophobicContact CZ-CG2 4.2Å
125	S	95.4	Very high	97.8	Very high	33 Å²	33	45.1 Å²	45.1	23%	0.231	25%	0.251	C	S	.	.			trans	-60.7	140.9	-179.8	172	0	0	0	0	112.2	K127 I128	S125-K127 PolarHBondContact O-N 3.16Å; S125-K127 PolarHBondContact OG-N 3.08Å; S125-I128 WeakPolarHBondContact O-CB 3.38Å; S125-I128 PolarHBondContact O-N 3.08Å
126	D	95.9	Very high	97.7	Very high	123 Å²	123	46 Å²	46	66%	0.658	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.5	176.3	-66.6	-40.2	0	0	0	112.7	R116 L120 I128	R116-D126 PolarHBondContact NH1-O 3.09Å; R116-D126 VanDerWaalsContact NH1-O 3.13Å; R116-D126 PolarHBondContact NH2-O 3.46Å; L120-D126 WeakPolarHBondContact CD2-OD1 3.36Å; D126-I128 PolarHBondContact O-N 3.1Å
127	K	95.7	Very high	97.6	Very high	187 Å²	187	43.7 Å²	43.7	81%	0.813	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-15.4	-178.9	-59.6	-179.9	-177.2	175.6	0	113.5	S125 P129	S125-K127 PolarHBondContact O-N 3.16Å; S125-K127 PolarHBondContact OG-N 3.08Å; K127-P129 WeakPolarHBondContact O-CD 3.3Å
128	I	97.8	Very high	97.6	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.041	23%	0.232	C	C	.	.			trans	-81.5	107.7	-175.1	-61.2	176.6	0	0	0	109.1	K94 V97 L100 R116 F124 S125 D126	K94-I128 WeakPolarHBondContact O-CD1 3.27Å; V97-I128 HydrophobicContact CB-CD1 3.84Å; V97-I128 HydrophobicContact CG1-CD1 4.29Å; V97-I128 HydrophobicContact CG1-CG2 4.18Å; V97-I128 VanDerWaalsContact O-CD1 3.22Å; V97-I128 WeakPolarHBondContact O-CD1 3.26Å; V97-I128 VanDerWaalsContact O-CG1 3.23Å; V97-I128 WeakPolarHBondContact O-CG1 3.47Å; L100-I128 HydrophobicContact CB-CG2 4.45Å; R116-I128 PolarHBondContact NH1-O 3.12Å; F124-I128 HydrophobicContact CB-CD1 4.14Å; F124-I128 HydrophobicContact CD1-CD1 4.02Å; S125-I128 WeakPolarHBondContact O-CB 3.38Å; S125-I128 PolarHBondContact O-N 3.08Å; D126-I128 PolarHBondContact O-N 3.1Å
129	P	98.3	Very high	97.6	Very high	60 Å²	60	39.5 Å²	39.5	39%	0.39	23%	0.232	S	C	.	.			trans	-64.4	148.7	172.9	29.7	-37.8	0	0	0	110.9	D98 Y99 L100 K127	D98-P129 WeakPolarHBondContact O-CD 3.48Å; Y99-P129 HydrophobicContact CD2-CB 4.05Å; Y99-P129 HydrophobicContact CD2-CG 3.38Å; Y99-P129 HydrophobicContact CE2-CB 3.64Å; Y99-P129 HydrophobicContact CE2-CG 3.46Å; Y99-P129 VanDerWaalsContact CE2-CG 3.46Å; Y99-P129 HydrophobicContact CG-CG 4.28Å; L100-P129 PolarHBondContact N-O 2.97Å; L100-P129 VanDerWaalsContact N-O 3.1Å; K127-P129 WeakPolarHBondContact O-CD 3.3Å
130	S	98.4	Very high	97.6	Very high	12 Å²	12	39.3 Å²	39.3	8%	0.084	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	144.4	178.7	60.4	0	0	0	0	112	L100 N113 R116	L100-S130 CarbonylContact O-C 3.56Å; L100-S130 WeakPolarHBondContact O-CA 3.38Å; L100-S130 VanDerWaalsContact O-CB 3.24Å; L100-S130 WeakPolarHBondContact O-CB 3.33Å; N113-S130 PolarHBondContact ND2-O 2.95Å; R116-S130 WeakPolarHBondContact CA-OG 3.27Å; R116-S130 VanDerWaalsContact CB-OG 3.23Å; R116-S130 WeakPolarHBondContact CB-OG 3.39Å; R116-S130 VanDerWaalsContact CD-OG 3.25Å; R116-S130 WeakPolarHBondContact CD-OG 3.48Å; R116-S130 PolarHBondContact N-OG 3.22Å
131	H	98.8	Very high	97.7	Very high	61 Å²	61	36.6 Å²	36.6	28%	0.282	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	157.1	173.6	71.2	-97.5	0	0	0	112.3	Y99 L100 I101 Y102 N113 A115	Y99-H131 AromaticContact CE1-CE1 3.67Å; Y99-H131 AromaticContact CE1-ND1 3.2Å; Y99-H131 WeakPolarHBondContact CE1-ND1 3.27Å; Y99-H131 AromaticContact CZ-ND1 3.46Å; Y99-H131 PolarHBondContact OH-ND1 2.75Å; L100-H131 PolarHBondContact O-N 2.68Å; L100-H131 VanDerWaalsContact O-N 3.15Å; I101-H131 WeakPolarHBondContact CA-O 3.44Å; I101-H131 WeakPolarHBondContact CG2-NE2 3.5Å; Y102-H131 PolarHBondContact N-O 2.91Å; N113-H131 WeakPolarHBondContact OD1-CA 3.3Å; A115-H131 WeakPolarHBondContact CB-O 3.44Å
132	T	98.8	Very high	97.7	Very high	31 Å²	31	37 Å²	37	19%	0.19	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	140.4	175.2	-59.1	0	0	0	0	109.1	Y102 T104 N113 V114 A115	Y102-T132 CarbonylContact O-C 3.59Å; Y102-T132 VanDerWaalsContact O-CA 3.3Å; Y102-T132 WeakPolarHBondContact O-CA 3.48Å; T104-T132 HydrophobicContact CG2-CG2 3.55Å; N113-T132 VanDerWaalsContact C-OG1 3.28Å; N113-T132 WeakPolarHBondContact CA-OG1 3.27Å; N113-T132 PolarHBondContact OD1-N 2.95Å; N113-T132 VanDerWaalsContact OD1-N 3.13Å; N113-T132 PolarHBondContact OD1-OG1 3.42Å; V114-T132 HydrophobicContact CG1-CG2 3.74Å; V114-T132 PolarHBondContact N-OG1 3.25Å; A115-T132 PolarHBondContact N-OG1 3.45Å; A115-T132 VanDerWaalsContact N-OG1 3.08Å
133	V	98.7	Very high	97.8	Very high	26 Å²	26	36.7 Å²	36.7	16%	0.158	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.3	177.2	68.6	0	0	0	0	110.7	I101 Y102 G103 T104 Q142 A143	I101-V133 HydrophobicContact CG2-CG1 4.09Å; Y102-V133 PolarHBondContact O-N 3.29Å; G103-V133 VanDerWaalsContact CA-O 3.27Å; G103-V133 WeakPolarHBondContact CA-O 3.45Å; T104-V133 PolarHBondContact N-O 3.36Å; V133-Q142 HydrophobicContact CG1-CB 4.32Å; V133-Q142 HydrophobicContact CG1-CG 4.28Å; V133-Q142 HydrophobicContact CG2-CB 4.27Å; V133-Q142 HydrophobicContact CG2-CG 3.49Å; V133-Q142 VanDerWaalsContact CG2-CG 3.49Å; V133-A143 HydrophobicContact CG1-CB 3.99Å
134	T	98.6	Very high	97.9	Very high	80 Å²	80	35.2 Å²	35.2	49%	0.491	19%	0.19	S	C	.	.			trans	-133	123.3	179.4	-58.7	0	0	0	0	109.7	T104	T104-T134 WeakPolarHBondContact O-CB 3.33Å; T104-T134 WeakPolarHBondContact O-CG2 3.48Å; T104-T134 PolarHBondContact O-OG1 3.48Å
135	M	98	Very high	98	Very high	33 Å²	33	35.1 Å²	35.1	16%	0.163	19%	0.19	C	C	.	.			trans	-151.7	58.5	174.1	-163.9	-179.2	-172.1	0	0	109.2	C137 I138 S139 Q142 Y341 Q462	M135-C137 PolarHBondContact O-N 2.86Å; M135-I138 HydrophobicContact CB-CG1 4.26Å; M135-I138 HydrophobicContact CE-CD1 3.88Å; M135-I138 HydrophobicContact CG-CD1 4.07Å; M135-I138 HydrophobicContact CG-CG1 3.83Å; M135-I138 CarbonylContact O-C 3.46Å; M135-I138 WeakPolarHBondContact O-CG1 3.16Å; M135-I138 PolarHBondContact O-N 2.98Å; M135-I138 HydrophobicContact SD-CD1 3.83Å; M135-I138 HydrophobicContact SD-CG1 4.02Å; M135-S139 VanDerWaalsContact C-OG 3.28Å; M135-S139 PolarHBondContact N-OG 3.38Å; M135-S139 PolarHBondContact O-N 2.96Å; M135-Q142 HydrophobicContact CB-CB 4.11Å; M135-Q142 HydrophobicContact CB-CG 4.5Å; M135-Q142 HydrophobicContact SD-CB 4.21Å; M135-Q142 HydrophobicContact SD-CG 4.4Å; M135-Y341 HydrophobicContact CE-CD1 3.68Å; M135-Y341 HydrophobicContact CE-CE1 4.26Å; M135-Y341 HydrophobicContact CE-CG 4.23Å; M135-Y341 HydrophobicContact SD-CD1 3.8Å; M135-Y341 HydrophobicContact SD-CE1 3.74Å; M135-Q462 HydrophobicContact CE-CG 4.48Å
136	A	96.1	Very high	98.1	Very high	18 Å²	18	34.9 Å²	34.9	15%	0.149	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	46.5	-138	179.9	0	0	0	0	0	113.2	V105 I138 S139 A458 A459	V105-A136 WeakPolarHBondContact CG2-O 3.16Å; A136-I138 PolarHBondContact O-N 2.74Å; A136-S139 PolarHBondContact N-OG 3.35Å; A136-S139 WeakPolarHBondContact O-CB 3.39Å; A136-S139 PolarHBondContact O-N 2.84Å; A136-S139 VanDerWaalsContact O-N 3.1Å; A136-S139 PolarHBondContact O-OG 3.03Å; A136-A458 HydrophobicContact CB-CB 4.14Å; A136-A459 HydrophobicContact CB-CB 3.93Å; A136-A459 WeakPolarHBondContact CB-O 3.5Å
137	C	96.9	Very high	98.3	Very high	13 Å²	13	29 Å²	29	9%	0.088	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-58.8	-17.4	-179	-52.6	0	0	0	0	114.3	M135 H427 F429 C457 A458	M135-C137 PolarHBondContact O-N 2.86Å; C137-H427 PolarHBondContact SG-NE2 3.34Å; C137-F429 CarbonylContact C-O 3.57Å; C137-C457 WeakPolarHBondContact CB-O 3.4Å; C137-A458 HydrophobicContact CB-CB 3.97Å
138	I	98.4	Very high	98.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-107.3	19.8	-177.7	58	179.5	0	0	0	111.9	M135 A136 S140 N141 Q142 Y341 A456 A458 Q462 H464	M135-I138 HydrophobicContact CB-CG1 4.26Å; M135-I138 HydrophobicContact CE-CD1 3.88Å; M135-I138 HydrophobicContact CG-CD1 4.07Å; M135-I138 HydrophobicContact CG-CG1 3.83Å; M135-I138 CarbonylContact O-C 3.46Å; M135-I138 WeakPolarHBondContact O-CG1 3.16Å; M135-I138 PolarHBondContact O-N 2.98Å; M135-I138 HydrophobicContact SD-CD1 3.83Å; M135-I138 HydrophobicContact SD-CG1 4.02Å; A136-I138 PolarHBondContact O-N 2.74Å; I138-S140 PolarHBondContact O-N 3.14Å; I138-N141 HydrophobicContact CB-CB 4.17Å; I138-N141 CarbonylContact O-C 3.42Å; I138-N141 WeakPolarHBondContact O-CA 3.31Å; I138-N141 WeakPolarHBondContact O-CB 3.2Å; I138-N141 PolarHBondContact O-N 3.49Å; I138-N141 VanDerWaalsContact O-N 3.11Å; I138-Q142 PolarHBondContact O-N 2.75Å; I138-Y341 HydrophobicContact CD1-CD1 3.91Å; I138-Y341 HydrophobicContact CD1-CE1 3.97Å; I138-A456 HydrophobicContact CG2-CB 3.53Å; I138-A458 HydrophobicContact CB-CB 4.39Å; I138-A458 HydrophobicContact CD1-CB 3.86Å; I138-A458 HydrophobicContact CG1-CB 3.71Å; I138-A458 HydrophobicContact CG2-CB 4.05Å; I138-Q462 HydrophobicContact CD1-CB 4.17Å; I138-H464 HydrophobicContact CB-CB 4.24Å; I138-H464 HydrophobicContact CD1-CB 4Å; I138-H464 HydrophobicContact CG2-CB 3.9Å
139	S	98.8	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.3	-41.7	179.1	-56.2	0	0	0	0	112.6	M135 A136 N141 Q142 A143	M135-S139 VanDerWaalsContact C-OG 3.28Å; M135-S139 PolarHBondContact N-OG 3.38Å; M135-S139 PolarHBondContact O-N 2.96Å; A136-S139 PolarHBondContact N-OG 3.35Å; A136-S139 WeakPolarHBondContact O-CB 3.39Å; A136-S139 PolarHBondContact O-N 2.84Å; A136-S139 VanDerWaalsContact O-N 3.1Å; A136-S139 PolarHBondContact O-OG 3.03Å; S139-N141 VanDerWaalsContact C-N 3.33Å; S139-Q142 WeakPolarHBondContact O-CB 3.41Å; S139-Q142 PolarHBondContact O-N 2.91Å; S139-A143 PolarHBondContact O-N 3.05Å
140	S	98.6	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-69.5	-30.6	173.8	29.7	0	0	0	0	112.5	I138 Q142 A143 M144 G430 A431 G433	I138-S140 PolarHBondContact O-N 3.14Å; S140-Q142 VanDerWaalsContact C-N 3.34Å; S140-A143 WeakPolarHBondContact O-CB 3.5Å; S140-A143 PolarHBondContact O-N 3.06Å; S140-M144 WeakPolarHBondContact O-CG 3.19Å; S140-M144 PolarHBondContact O-N 2.77Å; S140-G430 WeakPolarHBondContact CA-O 3.38Å; S140-G430 WeakPolarHBondContact CB-O 3.16Å; S140-G430 PolarHBondContact N-O 3.04Å; S140-G430 VanDerWaalsContact N-O 3.13Å; S140-G430 PolarHBondContact OG-O 3.27Å; S140-A431 VanDerWaalsContact OG-C 3.31Å; S140-G433 WeakPolarHBondContact OG-CA 3.4Å; S140-G433 PolarHBondContact OG-N 3.05Å
141	N	98.8	Very high	98.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-45	169.1	-64.7	96	0	0	0	110.2	I138 S139 A143 M144 T145 Y341 G433 H464	I138-N141 HydrophobicContact CB-CB 4.17Å; I138-N141 CarbonylContact O-C 3.42Å; I138-N141 WeakPolarHBondContact O-CA 3.31Å; I138-N141 WeakPolarHBondContact O-CB 3.2Å; I138-N141 PolarHBondContact O-N 3.49Å; I138-N141 VanDerWaalsContact O-N 3.11Å; S139-N141 VanDerWaalsContact C-N 3.33Å; N141-A143 VanDerWaalsContact C-N 3.27Å; N141-A143 PolarHBondContact O-N 3.18Å; N141-M144 HydrophobicContact CB-CE 4.45Å; N141-M144 PolarHBondContact O-N 2.83Å; N141-M144 VanDerWaalsContact O-N 3.14Å; N141-T145 WeakPolarHBondContact O-CG2 3.49Å; N141-T145 PolarHBondContact O-N 2.91Å; N141-T145 PolarHBondContact O-OG1 3.04Å; N141-Y341 PolarHBondContact O-OH 3.42Å; N141-Y341 VanDerWaalsContact O-OH 3.05Å; N141-G433 WeakPolarHBondContact OD1-CA 3.21Å; N141-H464 VanDerWaalsContact CG-CD2 3.41Å; N141-H464 PolarHBondContact ND2-CD2 3.48Å; N141-H464 PolarHBondContact ND2-NE2 2.83Å
142	Q	98.9	Very high	98.3	Very high	45 Å²	45	20.1 Å²	20.1	21%	0.21	13%	0.131	C	C	.	.	H	α-helix	trans	-61	-36.3	175.9	-174	59.2	47.1	0	0	112.1	V133 M135 I138 S139 S140 T145 S146 Y341	V133-Q142 HydrophobicContact CG1-CB 4.32Å; V133-Q142 HydrophobicContact CG1-CG 4.28Å; V133-Q142 HydrophobicContact CG2-CB 4.27Å; V133-Q142 HydrophobicContact CG2-CG 3.49Å; V133-Q142 VanDerWaalsContact CG2-CG 3.49Å; M135-Q142 HydrophobicContact CB-CB 4.11Å; M135-Q142 HydrophobicContact CB-CG 4.5Å; M135-Q142 HydrophobicContact SD-CB 4.21Å; M135-Q142 HydrophobicContact SD-CG 4.4Å; I138-Q142 PolarHBondContact O-N 2.75Å; S139-Q142 WeakPolarHBondContact O-CB 3.41Å; S139-Q142 PolarHBondContact O-N 2.91Å; S140-Q142 VanDerWaalsContact C-N 3.34Å; Q142-T145 WeakPolarHBondContact CA-OG1 3.49Å; Q142-T145 PolarHBondContact O-OG1 3.07Å; Q142-S146 PolarHBondContact NE2-OG 2.69Å; Q142-S146 VanDerWaalsContact O-CB 3.25Å; Q142-S146 WeakPolarHBondContact O-CB 3.38Å; Q142-S146 PolarHBondContact O-N 2.87Å; Q142-S146 PolarHBondContact O-OG 2.7Å; Q142-Y341 WeakPolarHBondContact CA-OH 3.4Å; Q142-Y341 PolarHBondContact N-OH 3Å
143	A	98.9	Very high	98.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-47.5	172.3	0	0	0	0	0	111.7	I101 V133 S139 S140 N141 S146 A147 A161 G162	I101-A143 HydrophobicContact CB-CB 4.24Å; I101-A143 HydrophobicContact CG2-CB 3.83Å; V133-A143 HydrophobicContact CG1-CB 3.99Å; S139-A143 PolarHBondContact O-N 3.05Å; S140-A143 WeakPolarHBondContact O-CB 3.5Å; S140-A143 PolarHBondContact O-N 3.06Å; N141-A143 VanDerWaalsContact C-N 3.27Å; N141-A143 PolarHBondContact O-N 3.18Å; A143-S146 PolarHBondContact O-N 3.18Å; A143-A147 PolarHBondContact O-N 2.84Å; A143-A161 HydrophobicContact CB-CB 4.34Å; A143-G162 WeakPolarHBondContact CB-O 3.33Å
144	M	98.9	Very high	98.1	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-63.9	-43.8	177	-69	-174.1	-70	0	0	112.6	S140 N141 A147 V148 A161 V317 I319 C434 V437 M466	S140-M144 WeakPolarHBondContact O-CG 3.19Å; S140-M144 PolarHBondContact O-N 2.77Å; N141-M144 HydrophobicContact CB-CE 4.45Å; N141-M144 PolarHBondContact O-N 2.83Å; N141-M144 VanDerWaalsContact O-N 3.14Å; M144-A147 WeakPolarHBondContact O-CB 3.28Å; M144-A147 PolarHBondContact O-N 3.37Å; M144-V148 VanDerWaalsContact O-CG2 3.28Å; M144-V148 WeakPolarHBondContact O-CG2 3.39Å; M144-V148 PolarHBondContact O-N 2.79Å; M144-A161 HydrophobicContact CB-CB 4.46Å; M144-A161 HydrophobicContact CG-CB 3.93Å; M144-V317 HydrophobicContact CG-CG2 3.81Å; M144-V317 HydrophobicContact SD-CG2 3.98Å; M144-I319 HydrophobicContact CB-CD1 4Å; M144-I319 HydrophobicContact CG-CD1 3.94Å; M144-C434 HydrophobicContact CE-CB 4.48Å; M144-C434 HydrophobicContact SD-CB 4.34Å; M144-C434 VanDerWaalsContact SD-SG 3.6Å; M144-V437 HydrophobicContact CE-CB 4.13Å; M144-V437 HydrophobicContact CE-CG2 3.54Å; M144-V437 HydrophobicContact SD-CB 4.11Å; M144-V437 HydrophobicContact SD-CG1 4.24Å; M144-V437 HydrophobicContact SD-CG2 4.07Å; M144-M466 HydrophobicContact CE-CE 4.35Å
145	T	98.8	Very high	98.1	Very high	7 Å²	7	26 Å²	26	4%	0.043	17%	0.173	C	C	.	.	H	α-helix	trans	-71.8	-31.9	-178.6	57.4	0	0	0	0	112.4	N141 Q142 A147 V148 G149 F339 Y341	N141-T145 WeakPolarHBondContact O-CG2 3.49Å; N141-T145 PolarHBondContact O-N 2.91Å; N141-T145 PolarHBondContact O-OG1 3.04Å; Q142-T145 WeakPolarHBondContact CA-OG1 3.49Å; Q142-T145 PolarHBondContact O-OG1 3.07Å; T145-A147 VanDerWaalsContact C-N 3.34Å; T145-V148 PolarHBondContact O-N 2.7Å; T145-G149 PolarHBondContact O-N 2.97Å; T145-F339 HydrophobicContact CG2-CB 4.4Å; T145-F339 HydrophobicContact CG2-CD1 4.05Å; T145-F339 HydrophobicContact CG2-CD2 3.39Å; T145-F339 HydrophobicContact CG2-CE1 4.15Å; T145-F339 HydrophobicContact CG2-CE2 3.51Å; T145-F339 HydrophobicContact CG2-CG 3.68Å; T145-F339 HydrophobicContact CG2-CZ 3.89Å; T145-Y341 HydrophobicContact CG2-CE2 3.76Å; T145-Y341 WeakPolarHBondContact CG2-OH 3.24Å; T145-Y341 WeakPolarHBondContact OG1-CE2 3.4Å; T145-Y341 PolarHBondContact OG1-OH 3.29Å
146	S	98.8	Very high	98.1	Very high	27 Å²	27	25 Å²	25	19%	0.189	17%	0.169	C	C	.	.	H	α-helix	trans	-63.9	-42	170.1	-54.3	0	0	0	0	110.7	Q142 A143 G149 M150	Q142-S146 PolarHBondContact NE2-OG 2.69Å; Q142-S146 VanDerWaalsContact O-CB 3.25Å; Q142-S146 WeakPolarHBondContact O-CB 3.38Å; Q142-S146 PolarHBondContact O-N 2.87Å; Q142-S146 PolarHBondContact O-OG 2.7Å; A143-S146 PolarHBondContact O-N 3.18Å; S146-G149 PolarHBondContact O-N 3.29Å; S146-M150 WeakPolarHBondContact O-CG 3.37Å; S146-M150 PolarHBondContact O-N 3.36Å
147	A	98.6	Very high	98.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.9	-49.8	174.1	0	0	0	0	0	112	I101 A143 M144 T145 G149 M150 I151 I159 A161 I319	I101-A147 HydrophobicContact CD1-CB 4.35Å; A143-A147 PolarHBondContact O-N 2.84Å; M144-A147 WeakPolarHBondContact O-CB 3.28Å; M144-A147 PolarHBondContact O-N 3.37Å; T145-A147 VanDerWaalsContact C-N 3.34Å; A147-G149 VanDerWaalsContact C-N 3.27Å; A147-G149 PolarHBondContact O-N 3.13Å; A147-M150 PolarHBondContact O-N 2.95Å; A147-I151 WeakPolarHBondContact O-CG1 3.39Å; A147-I151 PolarHBondContact O-N 3.06Å; A147-I159 HydrophobicContact CB-CB 3.93Å; A147-I159 HydrophobicContact CB-CD1 4.11Å; A147-I159 HydrophobicContact CB-CG2 3.43Å; A147-I159 VanDerWaalsContact CB-CG2 3.43Å; A147-A161 HydrophobicContact CB-CB 4.17Å; A147-I319 HydrophobicContact CB-CD1 4.25Å
148	V	98.4	Very high	98.3	Very high	12 Å²	12	26 Å²	26	7%	0.073	17%	0.172	C	C	.	.	H	α-helix	trans	-56.3	-43.3	175.5	169.9	0	0	0	0	110.7	I53 M144 T145 I151 A152 I319 L336 F339	I53-V148 HydrophobicContact CD1-CB 4.39Å; I53-V148 HydrophobicContact CD1-CG1 3.73Å; I53-V148 VanDerWaalsContact CD1-O 3.27Å; I53-V148 WeakPolarHBondContact CD1-O 3.38Å; I53-V148 HydrophobicContact CG2-CG2 4.12Å; M144-V148 VanDerWaalsContact O-CG2 3.28Å; M144-V148 WeakPolarHBondContact O-CG2 3.39Å; M144-V148 PolarHBondContact O-N 2.79Å; T145-V148 PolarHBondContact O-N 2.7Å; V148-I151 PolarHBondContact O-N 3.2Å; V148-A152 VanDerWaalsContact O-CB 3.27Å; V148-A152 WeakPolarHBondContact O-CB 3.41Å; V148-A152 PolarHBondContact O-N 2.94Å; V148-I319 HydrophobicContact CG2-CG2 4.45Å; V148-L336 HydrophobicContact CG2-CB 4.24Å; V148-L336 HydrophobicContact CG2-CD1 3.64Å; V148-F339 HydrophobicContact CB-CE1 4.45Å; V148-F339 HydrophobicContact CG1-CE1 3.87Å
149	G	97.9	Very high	98.3	Very high	36 Å²	36	26 Å²	26	37%	0.371	17%	0.172	S	C	.	.	H	α-helix	trans	-61.8	-43.7	177.3	0	0	0	0	0	113.2	T145 S146 A147 A152 A153	T145-G149 PolarHBondContact O-N 2.97Å; S146-G149 PolarHBondContact O-N 3.29Å; A147-G149 VanDerWaalsContact C-N 3.27Å; A147-G149 PolarHBondContact O-N 3.13Å; G149-A152 PolarHBondContact O-N 3.47Å; G149-A153 VanDerWaalsContact O-CB 3.25Å; G149-A153 WeakPolarHBondContact O-CB 3.43Å; G149-A153 PolarHBondContact O-N 3.42Å
150	M	98.5	Very high	98.3	Very high	44 Å²	44	26.1 Å²	26.1	22%	0.217	17%	0.172	C	C	.	.	H	α-helix	trans	-66.7	-38.6	178.2	-70.1	178.7	70.1	0	0	112.5	Y99 I101 S146 A147 A153 G154 Q155 I159	Y99-M150 HydrophobicContact CD1-CE 4.22Å; Y99-M150 HydrophobicContact CD1-SD 4.24Å; Y99-M150 HydrophobicContact CD2-CE 3.5Å; Y99-M150 VanDerWaalsContact CD2-CE 3.5Å; Y99-M150 HydrophobicContact CE1-SD 4.46Å; Y99-M150 HydrophobicContact CE2-CE 3.82Å; Y99-M150 HydrophobicContact CG-CE 3.74Å; Y99-M150 HydrophobicContact CG-SD 4.31Å; I101-M150 HydrophobicContact CD1-SD 4.01Å; S146-M150 WeakPolarHBondContact O-CG 3.37Å; S146-M150 PolarHBondContact O-N 3.36Å; A147-M150 PolarHBondContact O-N 2.95Å; M150-A153 PolarHBondContact O-N 3.43Å; M150-G154 PolarHBondContact O-N 3.5Å; M150-Q155 PolarHBondContact O-N 2.93Å; M150-I159 HydrophobicContact CB-CD1 3.66Å; M150-I159 HydrophobicContact SD-CD1 4.33Å
151	I	98.4	Very high	98.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68.9	-45	175.8	-63.5	165.9	0	0	0	110.9	I53 A147 V148 A153 G154 C156 I159 I319	I53-I151 HydrophobicContact CD1-CB 3.97Å; I53-I151 HydrophobicContact CD1-CG2 3.93Å; I53-I151 HydrophobicContact CG1-CB 4.28Å; I53-I151 HydrophobicContact CG1-CG2 3.75Å; I53-I151 HydrophobicContact CG2-CD1 4.23Å; A147-I151 WeakPolarHBondContact O-CG1 3.39Å; A147-I151 PolarHBondContact O-N 3.06Å; V148-I151 PolarHBondContact O-N 3.2Å; I151-A153 PolarHBondContact O-N 3.3Å; I151-G154 PolarHBondContact O-N 2.9Å; I151-C156 WeakPolarHBondContact CA-O 3.49Å; I151-I159 HydrophobicContact CD1-CB 4.36Å; I151-I159 HydrophobicContact CD1-CD1 4.3Å; I151-I159 HydrophobicContact CD1-CG1 4.19Å; I151-I159 HydrophobicContact CG1-CD1 3.87Å; I151-I159 HydrophobicContact CG1-CG1 4.08Å; I151-I319 HydrophobicContact CD1-CB 4.46Å; I151-I319 HydrophobicContact CD1-CG2 3.77Å
152	A	96.7	Very high	98.3	Very high	50 Å²	50	26.1 Å²	26.1	41%	0.413	17%	0.172	S	C	.	.	H	α-helix	trans	-61.8	-34.5	177.1	0	0	0	0	0	112.1	I53 V148 G149 G154	I53-A152 HydrophobicContact CD1-CB 3.93Å; V148-A152 VanDerWaalsContact O-CB 3.27Å; V148-A152 WeakPolarHBondContact O-CB 3.41Å; V148-A152 PolarHBondContact O-N 2.94Å; G149-A152 PolarHBondContact O-N 3.47Å; A152-G154 PolarHBondContact O-N 3.32Å
153	A	97.1	Very high	98.3	Very high	67 Å²	67	24 Å²	24	55%	0.554	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-2.7	175.3	0	0	0	0	0	114	G149 M150 I151 Q155	G149-A153 VanDerWaalsContact O-CB 3.25Å; G149-A153 WeakPolarHBondContact O-CB 3.43Å; G149-A153 PolarHBondContact O-N 3.42Å; M150-A153 PolarHBondContact O-N 3.43Å; I151-A153 PolarHBondContact O-N 3.3Å; A153-Q155 VanDerWaalsContact C-N 3.27Å; A153-Q155 HydrophobicContact CB-CG 4.21Å; A153-Q155 PolarHBondContact O-N 2.67Å
154	G	96.8	Very high	98.3	Very high	47 Å²	47	24 Å²	24	49%	0.485	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	17.5	-179.9	0	0	0	0	0	114.7	M150 I151 A152	M150-G154 PolarHBondContact O-N 3.5Å; I151-G154 PolarHBondContact O-N 2.9Å; A152-G154 PolarHBondContact O-N 3.32Å
155	Q	97.8	Very high	98.3	Very high	146 Å²	146	23.9 Å²	23.9	68%	0.682	16%	0.162	S	C	*	.	S	Bend	trans	-81	-28.4	178.7	-63.4	-59.7	-53.1	0	0	112.5	M150 A153	M150-Q155 PolarHBondContact O-N 2.93Å; A153-Q155 VanDerWaalsContact C-N 3.27Å; A153-Q155 HydrophobicContact CB-CG 4.21Å; A153-Q155 PolarHBondContact O-N 2.67Å
156	C	97.9	Very high	98.2	Very high	12 Å²	12	23.8 Å²	23.8	8%	0.081	16%	0.161	C	C	.	.			trans	-145.1	159.9	-180	-57.3	0	0	0	0	109.4	D98 I151 I159	D98-C156 HydrophobicContact CB-CB 3.73Å; I151-C156 WeakPolarHBondContact CA-O 3.49Å; C156-I159 HydrophobicContact CB-CD1 3.75Å; C156-I159 HydrophobicContact CB-CG1 3.77Å
157	D	98.3	Very high	97.9	Very high	52 Å²	52	23.3 Å²	23.3	28%	0.278	16%	0.156	S	C	.	.	S	Bend	trans	-115.8	-20.8	170.2	-74.5	-58.1	0	0	0	112.2	K51 D98 M320 S321 K324	K51-D157 IonicContact NZ-OD1 3.77Å; K51-D157 PolarHBondContact NZ-OD1 3.23Å; D98-D157 PolarHBondContact OD2-N 2.91Å; D157-M320 CarbonylContact O-C 3.5Å; D157-M320 WeakPolarHBondContact O-CA 3.34Å; D157-S321 PolarHBondContact O-N 2.76Å; D157-S321 PolarHBondContact OD1-OG 2.63Å; D157-K324 HydrophobicContact CB-CB 3.97Å; D157-K324 HydrophobicContact CB-CD 4.45Å; D157-K324 HydrophobicContact CB-CG 3.94Å
158	V	98.7	Very high	97.6	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	114.1	-176.6	-172.7	0	0	0	0	110.4	I92 A96 V97 D98 L318 M320 K324 M328	I92-V158 HydrophobicContact CD1-CG1 3.62Å; A96-V158 VanDerWaalsContact O-CB 3.28Å; A96-V158 WeakPolarHBondContact O-CB 3.33Å; A96-V158 WeakPolarHBondContact O-CG2 3.37Å; V97-V158 HydrophobicContact CB-CG1 4.44Å; V97-V158 HydrophobicContact CG2-CG1 4.01Å; D98-V158 WeakPolarHBondContact CB-O 3.49Å; D98-V158 PolarHBondContact N-O 3.13Å; D98-V158 PolarHBondContact OD2-N 2.87Å; V158-L318 HydrophobicContact CG1-CD1 3.94Å; V158-M320 HydrophobicContact CB-CG 4.37Å; V158-M320 HydrophobicContact CG1-CE 4.27Å; V158-M320 HydrophobicContact CG1-CG 3.99Å; V158-M320 HydrophobicContact CG1-SD 4.33Å; V158-M320 HydrophobicContact CG2-CE 3.62Å; V158-M320 HydrophobicContact CG2-CG 4.28Å; V158-K324 HydrophobicContact CG2-CG 3.65Å; V158-M328 HydrophobicContact CG2-SD 4.46Å
159	I	98.8	Very high	97.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.1	179.7	-57.8	-175.2	0	0	0	110.5	Y99 I101 A147 M150 I151 C156 I319	Y99-I159 WeakPolarHBondContact O-CA 3.43Å; Y99-I159 WeakPolarHBondContact O-CG2 3.25Å; I101-I159 HydrophobicContact CG1-CG2 4.45Å; A147-I159 HydrophobicContact CB-CB 3.93Å; A147-I159 HydrophobicContact CB-CD1 4.11Å; A147-I159 HydrophobicContact CB-CG2 3.43Å; A147-I159 VanDerWaalsContact CB-CG2 3.43Å; M150-I159 HydrophobicContact CB-CD1 3.66Å; M150-I159 HydrophobicContact SD-CD1 4.33Å; I151-I159 HydrophobicContact CD1-CB 4.36Å; I151-I159 HydrophobicContact CD1-CD1 4.3Å; I151-I159 HydrophobicContact CD1-CG1 4.19Å; I151-I159 HydrophobicContact CG1-CD1 3.87Å; I151-I159 HydrophobicContact CG1-CG1 4.08Å; C156-I159 HydrophobicContact CB-CD1 3.75Å; C156-I159 HydrophobicContact CB-CG1 3.77Å; I159-I319 PolarHBondContact N-O 2.75Å; I159-I319 PolarHBondContact O-N 3.47Å
160	V	98.9	Very high	96.5	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.8	166.6	176.2	0	0	0	0	108.7	L83 L86 V97 Y99 L100 I101 Y102 F124 V317 L318	L83-V160 HydrophobicContact CD2-CG1 3.62Å; L86-V160 HydrophobicContact CD2-CG1 3.74Å; L86-V160 HydrophobicContact CD2-CG2 4.16Å; V97-V160 HydrophobicContact CG1-CB 4.49Å; V97-V160 HydrophobicContact CG1-CG2 3.98Å; V97-V160 HydrophobicContact CG2-CG2 3.95Å; Y99-V160 PolarHBondContact O-N 3.28Å; L100-V160 CarbonylContact C-O 3.55Å; L100-V160 VanDerWaalsContact CA-O 3.26Å; L100-V160 WeakPolarHBondContact CA-O 3.27Å; L100-V160 HydrophobicContact CD1-CB 4.12Å; L100-V160 HydrophobicContact CD1-CG1 4.1Å; L100-V160 HydrophobicContact CG-CB 4.1Å; L100-V160 HydrophobicContact CG-CG1 4.21Å; I101-V160 PolarHBondContact N-O 2.76Å; Y102-V160 HydrophobicContact CE2-CG1 4.41Å; F124-V160 HydrophobicContact CE1-CG2 4.24Å; F124-V160 HydrophobicContact CZ-CG2 4.2Å; V160-V317 WeakPolarHBondContact CA-O 3.27Å; V160-L318 HydrophobicContact CG2-CD1 4.2Å
161	A	98.9	Very high	95.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	160.4	170.7	0	0	0	0	0	110	I101 A143 M144 A147 A316 V317 I319	I101-A161 CarbonylContact O-C 3.59Å; I101-A161 VanDerWaalsContact O-CA 3.26Å; I101-A161 WeakPolarHBondContact O-CA 3.28Å; A143-A161 HydrophobicContact CB-CB 4.34Å; M144-A161 HydrophobicContact CB-CB 4.46Å; M144-A161 HydrophobicContact CG-CB 3.93Å; A147-A161 HydrophobicContact CB-CB 4.17Å; A161-A316 CarbonylContact O-C 3.56Å; A161-A316 WeakPolarHBondContact O-CA 3.31Å; A161-V317 HydrophobicContact CB-CG2 3.79Å; A161-V317 PolarHBondContact N-O 3Å; A161-V317 WeakPolarHBondContact O-CG2 3.44Å; A161-V317 PolarHBondContact O-N 3.48Å; A161-I319 HydrophobicContact CB-CD1 4.01Å
162	G	98.6	Very high	95.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	-162.6	178.5	0	0	0	0	0	112.8	I101 Y102 G103 A143 S315	I101-G162 PolarHBondContact O-N 2.73Å; Y102-G162 WeakPolarHBondContact CA-O 3.49Å; G103-G162 PolarHBondContact N-O 2.89Å; A143-G162 WeakPolarHBondContact CB-O 3.33Å; G162-S315 CarbonylContact C-O 3.24Å; G162-S315 WeakPolarHBondContact CA-O 3.49Å
163	G	98.6	Very high	94.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	167.6	169.2	0	0	0	0	0	112.9	G103 A314 S315 G430 A431	G103-G163 CarbonylContact O-C 3.45Å; G103-G163 WeakPolarHBondContact O-CA 3.29Å; G163-A314 CarbonylContact O-C 3.56Å; G163-A314 VanDerWaalsContact O-CA 3.24Å; G163-A314 WeakPolarHBondContact O-CA 3.33Å; G163-S315 PolarHBondContact N-O 2.83Å; G163-S315 PolarHBondContact O-N 3.46Å; G163-G430 WeakPolarHBondContact CA-O 3.44Å; G163-A431 WeakPolarHBondContact O-CB 3.25Å
164	V	98.8	Very high	94.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	144.1	179.4	62.8	0	0	0	0	110.1	P75 L78 A79 G103 T104 V114 G313 A314	P75-V164 HydrophobicContact CB-CG1 4.41Å; P75-V164 HydrophobicContact CB-CG2 4.3Å; P75-V164 VanDerWaalsContact O-CG2 3.25Å; P75-V164 WeakPolarHBondContact O-CG2 3.43Å; L78-V164 HydrophobicContact CB-CG2 3.87Å; A79-V164 HydrophobicContact CB-CB 4.01Å; A79-V164 HydrophobicContact CB-CG1 3.94Å; A79-V164 HydrophobicContact CB-CG2 4.37Å; G103-V164 PolarHBondContact O-N 3.1Å; T104-V164 WeakPolarHBondContact CA-O 3.42Å; T104-V164 VanDerWaalsContact CB-O 3.29Å; T104-V164 WeakPolarHBondContact CB-O 3.45Å; T104-V164 PolarHBondContact OG1-O 3.44Å; V114-V164 HydrophobicContact CG1-CG1 4.08Å; V114-V164 HydrophobicContact CG2-CG1 3.87Å; V164-G313 WeakPolarHBondContact CA-O 3.16Å; V164-A314 HydrophobicContact CB-CB 3.93Å; V164-A314 HydrophobicContact CG2-CB 3.78Å
165	E	98.1	Very high	94.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	144.2	164.5	-156.8	62.7	-113.4	0	0	110	V105 I106 M167 G313 P428 F429 G430	V105-E165 VanDerWaalsContact CB-OE2 3.3Å; V105-E165 WeakPolarHBondContact CB-OE2 3.08Å; V105-E165 PolarHBondContact N-OE2 3.18Å; I106-E165 VanDerWaalsContact CB-OE1 3.27Å; I106-E165 WeakPolarHBondContact CB-OE1 3.47Å; I106-E165 WeakPolarHBondContact CG1-OE1 3.31Å; I106-E165 PolarHBondContact N-OE1 3.44Å; E165-M167 HydrophobicContact CG-CG 4.29Å; E165-G313 PolarHBondContact N-O 3.09Å; E165-G313 PolarHBondContact O-N 3Å; E165-P428 HydrophobicContact CB-CB 3.6Å; E165-F429 HydrophobicContact CG-CB 3.98Å; E165-F429 HydrophobicContact CG-CD2 3.96Å; E165-F429 HydrophobicContact CG-CG 4.14Å; E165-F429 WeakPolarHBondContact OE2-CB 3.35Å; E165-G430 PolarHBondContact OE2-N 3.37Å
166	F	96.6	Very high	93.6	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.022	20%	0.199	C	C	.	.			trans	-139.9	107.9	179.7	-169.1	-112	0	0	0	109.2	Y70 L73 P75 L78 S168 D169 D312	Y70-F166 WeakPolarHBondContact O-CE2 3.47Å; Y70-F166 WeakPolarHBondContact O-CZ 3.29Å; L73-F166 HydrophobicContact CB-CE2 4.3Å; L73-F166 HydrophobicContact CB-CZ 4.27Å; L73-F166 WeakPolarHBondContact O-CE1 3.18Å; L73-F166 WeakPolarHBondContact O-CZ 3.33Å; P75-F166 HydrophobicContact CB-CB 3.75Å; P75-F166 HydrophobicContact CG-CB 4.33Å; L78-F166 HydrophobicContact CD1-CD2 3.63Å; L78-F166 HydrophobicContact CD1-CE2 4.18Å; F166-S168 VanDerWaalsContact CZ-CB 3.41Å; F166-D169 HydrophobicContact CD1-CB 4Å; F166-D169 HydrophobicContact CE1-CB 3.49Å; F166-D169 VanDerWaalsContact CE1-CB 3.49Å; F166-D312 HydrophobicContact CD2-CB 3.97Å; F166-D312 HydrophobicContact CE2-CB 4.35Å
167	M	92.8	Very high	93.3	Very high	16 Å²	16	46.9 Å²	46.9	8%	0.079	22%	0.223	C	C	.	.			trans	-104.4	-2.4	-178.7	-37.4	-175.7	63.8	0	0	112.7	S66 I106 E165 V170 V213 L310 D312 F429	S66-M167 WeakPolarHBondContact OG-CB 3.35Å; I106-M167 HydrophobicContact CD1-CE 4.43Å; E165-M167 HydrophobicContact CG-CG 4.29Å; M167-V170 HydrophobicContact CB-CG1 4.33Å; M167-V213 HydrophobicContact CE-CG2 4.27Å; M167-L310 HydrophobicContact CB-CB 4.39Å; M167-L310 HydrophobicContact CE-CB 4.05Å; M167-L310 HydrophobicContact CE-CD1 4.2Å; M167-L310 HydrophobicContact CE-CD2 3.21Å; M167-L310 HydrophobicContact CE-CG 3.96Å; M167-L310 HydrophobicContact SD-CB 3.65Å; M167-L310 HydrophobicContact SD-CD2 3.8Å; M167-L310 HydrophobicContact SD-CG 4.21Å; M167-D312 PolarHBondContact N-OD1 3.03Å; M167-F429 HydrophobicContact CE-CE2 3.56Å; M167-F429 HydrophobicContact CE-CZ 3.59Å; M167-F429 HydrophobicContact SD-CE2 4.03Å; M167-F429 HydrophobicContact SD-CZ 3.97Å
168	S	92.1	Very high	93	Very high	34 Å²	34	44.8 Å²	44.8	24%	0.238	21%	0.211	C	C	.	.	S	Bend	trans	-68.2	-32.9	173.3	-78.2	0	0	0	0	113.7	G67 F166 D312	G67-S168 WeakPolarHBondContact CA-OG 3.29Å; G67-S168 PolarHBondContact N-OG 2.87Å; F166-S168 VanDerWaalsContact CZ-CB 3.41Å; S168-D312 WeakPolarHBondContact CB-OD2 3.35Å; S168-D312 PolarHBondContact N-OD1 3.45Å; S168-D312 PolarHBondContact OG-OD2 3.3Å
169	D	88	Confident	92.6	Very high	89 Å²	89	48.1 Å²	48.1	48%	0.476	22%	0.224	S	C	.	.	S	Bend	trans	-127.5	74.9	178.2	-170	17.1	0	0	0	110.3	F166	F166-D169 HydrophobicContact CD1-CB 4Å; F166-D169 HydrophobicContact CE1-CB 3.49Å; F166-D169 VanDerWaalsContact CE1-CB 3.49Å
170	V	86.5	Confident	92.3	Very high	43 Å²	43	55.5 Å²	55.5	26%	0.261	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-80.7	130.4	178.5	-67.3	0	0	0	0	110.7	I106 M167 I172 P211	I106-V170 HydrophobicContact CD1-CG1 3.8Å; I106-V170 HydrophobicContact CG2-CG1 4.41Å; M167-V170 HydrophobicContact CB-CG1 4.33Å; V170-I172 PolarHBondContact O-N 3.2Å; V170-P211 HydrophobicContact CB-CG 3.72Å; V170-P211 HydrophobicContact CG2-CG 3.49Å; V170-P211 VanDerWaalsContact CG2-CG 3.49Å
171	P	84.9	Confident	92	Very high	54 Å²	54	56.1 Å²	56.1	35%	0.351	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-60	122.1	-178.3	-25.9	33.8	0	0	0	113.1
172	I	86.8	Confident	91.6	Very high	108 Å²	108	60.2 Å²	60.2	55%	0.554	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-93.4	130.7	174.5	-57.7	173.8	0	0	0	109.3	V170 P208 L210	V170-I172 PolarHBondContact O-N 3.2Å; I172-P208 HydrophobicContact CG2-CB 3.72Å; I172-L210 HydrophobicContact CD1-CD2 3.85Å; I172-L210 HydrophobicContact CG1-CD2 4Å; I172-L210 HydrophobicContact CG2-CD2 4.08Å
173	R	86.3	Confident	91.3	Very high	138 Å²	138	65.7 Å²	65.7	52%	0.521	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	153	178.6	-59.7	173.4	84.2	-178.7	18.4	110	R179 E209	R173-R179 VanDerWaalsContact CZ-CZ 3.46Å; R173-R179 VanDerWaalsContact CZ-NH1 3.34Å; R173-E209 HydrophobicContact CB-CB 4.17Å; R173-E209 PolarHBondContact N-O 2.59Å; R173-E209 PolarHBondContact O-N 3.41Å
174	H	88.5	Confident	91.1	Very high	94 Å²	94	67.8 Å²	67.8	44%	0.435	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	166.8	157.9	-70.7	-67.8	0	0	0	110.9	M178 R179	H174-M178 HydrophobicContact CB-CB 3.89Å; H174-M178 HydrophobicContact CB-CG 3.83Å; H174-R179 HydrophobicContact CB-CG 4.27Å; H174-R179 WeakPolarHBondContact O-CD 3.37Å; H174-R179 PolarHBondContact O-NE 3.41Å
175	S	89.4	Confident	90.8	Very high	17 Å²	17	68.8 Å²	68.8	12%	0.119	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-48.1	147.1	173.1	74	0	0	0	0	113	K177 M178 R179 H205 E209	S175-K177 PolarHBondContact O-N 3.41Å; S175-K177 VanDerWaalsContact O-N 3.14Å; S175-M178 WeakPolarHBondContact O-CB 3.39Å; S175-M178 PolarHBondContact O-N 2.95Å; S175-M178 WeakPolarHBondContact OG-CB 3.03Å; S175-M178 PolarHBondContact OG-N 3.27Å; S175-R179 PolarHBondContact O-N 3.19Å; S175-H205 WeakPolarHBondContact CB-O 3.36Å; S175-H205 WeakPolarHBondContact OG-CA 3.18Å; S175-H205 PolarHBondContact OG-O 2.94Å; S175-E209 VanDerWaalsContact CA-OE1 3.3Å; S175-E209 WeakPolarHBondContact CA-OE1 3.44Å
176	R	88.5	Confident	90.4	Very high	199 Å²	199	75.6 Å²	75.6	75%	0.751	37%	0.365	S	S	*	.	H	α-helix	trans	-52.5	-38	176.6	-174.5	176.2	179.3	167.2	0	112.9	K180 E209	R176-K180 WeakPolarHBondContact O-CB 3.19Å; R176-K180 PolarHBondContact O-N 3.36Å; R176-E209 PolarHBondContact N-OE1 2.96Å
177	K	90.7	Very high	90.2	Very high	133 Å²	133	83.8 Å²	83.8	58%	0.578	40%	0.401	S	S	*	.	H	α-helix	trans	-65.2	-43.2	177.8	-69.7	-178.4	-178.9	175.4	0	111.7	S175 K180 T181 H205	S175-K177 PolarHBondContact O-N 3.41Å; S175-K177 VanDerWaalsContact O-N 3.14Å; K177-K180 PolarHBondContact O-N 2.88Å; K177-T181 WeakPolarHBondContact O-CB 3.43Å; K177-T181 PolarHBondContact O-N 3.46Å; K177-T181 PolarHBondContact O-OG1 3.5Å; K177-H205 WeakPolarHBondContact CD-NE2 3.28Å
178	M	92.1	Very high	90.1	Very high	9 Å²	9	83.4 Å²	83.4	4%	0.044	40%	0.4	C	S	.	.	H	α-helix	trans	-62.6	-49.1	176.4	-172.7	59.8	176.6	0	0	111.7	H174 S175 K180 T181 M182 I201 H205 L206	H174-M178 HydrophobicContact CB-CB 3.89Å; H174-M178 HydrophobicContact CB-CG 3.83Å; S175-M178 WeakPolarHBondContact O-CB 3.39Å; S175-M178 PolarHBondContact O-N 2.95Å; S175-M178 WeakPolarHBondContact OG-CB 3.03Å; S175-M178 PolarHBondContact OG-N 3.27Å; M178-K180 VanDerWaalsContact C-N 3.33Å; M178-K180 PolarHBondContact O-N 2.89Å; M178-T181 PolarHBondContact O-N 2.9Å; M178-T181 VanDerWaalsContact O-N 3.1Å; M178-M182 HydrophobicContact CE-CE 3.19Å; M178-M182 HydrophobicContact CE-CG 4.06Å; M178-M182 HydrophobicContact CE-SD 4.43Å; M178-M182 PolarHBondContact O-N 3.43Å; M178-M182 HydrophobicContact SD-CE 4.42Å; M178-M182 HydrophobicContact SD-CG 4.47Å; M178-I201 HydrophobicContact CE-CD1 4.35Å; M178-I201 HydrophobicContact CE-CG2 4.4Å; M178-I201 HydrophobicContact SD-CD1 4.26Å; M178-I201 HydrophobicContact SD-CG1 4.31Å; M178-I201 HydrophobicContact SD-CG2 3.88Å; M178-H205 HydrophobicContact CB-CB 4.1Å; M178-H205 VanDerWaalsContact CB-O 3.3Å; M178-H205 WeakPolarHBondContact CB-O 3.44Å; M178-H205 HydrophobicContact SD-CB 4.44Å; M178-L206 HydrophobicContact CE-CD2 3.49Å; M178-L206 VanDerWaalsContact CE-CD2 3.49Å; M178-L206 HydrophobicContact SD-CD2 4.08Å
179	R	91.3	Very high	90.1	Very high	71 Å²	71	91.4 Å²	91.4	27%	0.268	43%	0.43	S	S	.	.	H	α-helix	trans	-58.4	-44.1	178.3	-70.3	-176	-77.5	127.7	-13.6	111.8	R173 H174 S175 T181 M182 L183 E209	R173-R179 VanDerWaalsContact CZ-CZ 3.46Å; R173-R179 VanDerWaalsContact CZ-NH1 3.34Å; H174-R179 HydrophobicContact CB-CG 4.27Å; H174-R179 WeakPolarHBondContact O-CD 3.37Å; H174-R179 PolarHBondContact O-NE 3.41Å; S175-R179 PolarHBondContact O-N 3.19Å; R179-T181 VanDerWaalsContact C-N 3.33Å; R179-T181 PolarHBondContact O-N 3.28Å; R179-M182 PolarHBondContact O-N 3.38Å; R179-L183 WeakPolarHBondContact O-CB 3.17Å; R179-L183 VanDerWaalsContact O-CG 3.27Å; R179-L183 WeakPolarHBondContact O-CG 3.18Å; R179-L183 PolarHBondContact O-N 3.3Å; R179-E209 IonicContact NH2-OE2 2.74Å; R179-E209 PolarHBondContact NH2-OE2 3.26Å
180	K	92	Very high	90.3	Very high	154 Å²	154	89.6 Å²	89.6	67%	0.67	43%	0.425	S	S	*	.	H	α-helix	trans	-61.3	-42.1	175.5	-174	180	178.9	-176.9	0	111.8	R176 K177 M178 S184	R176-K180 WeakPolarHBondContact O-CB 3.19Å; R176-K180 PolarHBondContact O-N 3.36Å; K177-K180 PolarHBondContact O-N 2.88Å; M178-K180 VanDerWaalsContact C-N 3.33Å; M178-K180 PolarHBondContact O-N 2.89Å; K180-S184 WeakPolarHBondContact O-CB 3.46Å; K180-S184 PolarHBondContact O-N 3.5Å; K180-S184 PolarHBondContact O-OG 3.03Å
181	T	92.6	Very high	90.5	Very high	15 Å²	15	92.9 Å²	92.9	9%	0.092	44%	0.444	C	S	.	.	H	α-helix	trans	-66	-47.5	-179.6	-52.9	0	0	0	0	110.9	K177 M178 R179 L183 S184 L185 L197 I201	K177-T181 WeakPolarHBondContact O-CB 3.43Å; K177-T181 PolarHBondContact O-N 3.46Å; K177-T181 PolarHBondContact O-OG1 3.5Å; M178-T181 PolarHBondContact O-N 2.9Å; M178-T181 VanDerWaalsContact O-N 3.1Å; R179-T181 VanDerWaalsContact C-N 3.33Å; R179-T181 PolarHBondContact O-N 3.28Å; T181-L183 PolarHBondContact O-N 3.43Å; T181-S184 CarbonylContact O-C 3.6Å; T181-S184 PolarHBondContact O-N 3.03Å; T181-S184 VanDerWaalsContact O-N 3.12Å; T181-L185 HydrophobicContact CG2-CD1 4.26Å; T181-L185 WeakPolarHBondContact O-CG 2.92Å; T181-L185 PolarHBondContact O-N 3.08Å; T181-L197 HydrophobicContact CG2-CB 4.35Å; T181-L197 HydrophobicContact CG2-CD2 4.47Å; T181-L197 WeakPolarHBondContact CG2-O 3.36Å; T181-I201 HydrophobicContact CG2-CD1 4.26Å; T181-I201 HydrophobicContact CG2-CG1 3.79Å
182	M	91.3	Very high	90.8	Very high	86 Å²	86	92.8 Å²	92.8	42%	0.424	45%	0.454	S	S	.	.	H	α-helix	trans	-61.2	-43.2	176.9	-73.8	-65.2	-178.4	0	0	112.9	M178 R179 S184 L185 N186 I201	M178-M182 HydrophobicContact CE-CE 3.19Å; M178-M182 HydrophobicContact CE-CG 4.06Å; M178-M182 HydrophobicContact CE-SD 4.43Å; M178-M182 PolarHBondContact O-N 3.43Å; M178-M182 HydrophobicContact SD-CE 4.42Å; M178-M182 HydrophobicContact SD-CG 4.47Å; R179-M182 PolarHBondContact O-N 3.38Å; M182-S184 VanDerWaalsContact C-N 3.29Å; M182-S184 PolarHBondContact O-N 3.46Å; M182-L185 PolarHBondContact O-N 2.96Å; M182-L185 HydrophobicContact SD-CD1 3.99Å; M182-N186 PolarHBondContact O-N 3.29Å; M182-I201 HydrophobicContact CE-CD1 4.24Å
183	L	92.2	Very high	90.9	Very high	115 Å²	115	92.9 Å²	92.9	60%	0.602	45%	0.452	S	S	*	.	H	α-helix	trans	-64	-35	174.2	-71	171.3	0	0	0	112.5	R179 T181	R179-L183 WeakPolarHBondContact O-CB 3.17Å; R179-L183 VanDerWaalsContact O-CG 3.27Å; R179-L183 WeakPolarHBondContact O-CG 3.18Å; R179-L183 PolarHBondContact O-N 3.3Å; T181-L183 PolarHBondContact O-N 3.43Å
184	S	93.1	Very high	91.1	Very high	43 Å²	43	92.4 Å²	92.4	30%	0.301	45%	0.45	S	S	.	.	H	α-helix	trans	-74.3	-34.7	177.7	-55.4	0	0	0	0	111.9	K180 T181 M182 N186 K187 A188	K180-S184 WeakPolarHBondContact O-CB 3.46Å; K180-S184 PolarHBondContact O-N 3.5Å; K180-S184 PolarHBondContact O-OG 3.03Å; T181-S184 CarbonylContact O-C 3.6Å; T181-S184 PolarHBondContact O-N 3.03Å; T181-S184 VanDerWaalsContact O-N 3.12Å; M182-S184 VanDerWaalsContact C-N 3.29Å; M182-S184 PolarHBondContact O-N 3.46Å; S184-N186 VanDerWaalsContact C-N 3.34Å; S184-N186 PolarHBondContact O-N 3Å; S184-K187 CarbonylContact O-C 3.43Å; S184-K187 PolarHBondContact O-N 2.93Å; S184-A188 PolarHBondContact O-N 3.35Å; S184-A188 VanDerWaalsContact O-N 3.08Å
185	L	92.8	Very high	91.2	Very high	22 Å²	22	93.3 Å²	93.3	12%	0.115	46%	0.457	C	S	.	.	H	α-helix	trans	-59.8	-43.6	175	-81.2	167	0	0	0	111.4	T181 M182 K187 A188 R194 L197 L198 I201	T181-L185 HydrophobicContact CG2-CD1 4.26Å; T181-L185 WeakPolarHBondContact O-CG 2.92Å; T181-L185 PolarHBondContact O-N 3.08Å; M182-L185 PolarHBondContact O-N 2.96Å; M182-L185 HydrophobicContact SD-CD1 3.99Å; L185-K187 PolarHBondContact O-N 2.98Å; L185-A188 WeakPolarHBondContact O-CB 3.43Å; L185-A188 PolarHBondContact O-N 2.9Å; L185-A188 VanDerWaalsContact O-N 3.12Å; L185-R194 HydrophobicContact CD2-CB 4.43Å; L185-L197 HydrophobicContact CD2-CB 3.4Å; L185-L197 VanDerWaalsContact CD2-CB 3.4Å; L185-L197 HydrophobicContact CD2-CD1 3.94Å; L185-L197 HydrophobicContact CD2-CG 4.34Å; L185-L197 HydrophobicContact CG-CB 3.81Å; L185-L197 HydrophobicContact CG-CD1 4.1Å; L185-L198 HydrophobicContact CD1-CD2 3.92Å; L185-L198 HydrophobicContact CD1-CG 4.46Å; L185-L198 HydrophobicContact CD2-CD2 4.38Å; L185-L198 HydrophobicContact CD2-CG 4.07Å; L185-I201 HydrophobicContact CD1-CD1 4.38Å
186	N	89.9	Confident	91.3	Very high	143 Å²	143	94.7 Å²	94.7	77%	0.765	48%	0.475	S	S	*	.	H	α-helix	trans	-62.1	-24.7	174.9	-78.7	-14.5	0	0	0	113.4	M182 S184	M182-N186 PolarHBondContact O-N 3.29Å; S184-N186 VanDerWaalsContact C-N 3.34Å; S184-N186 PolarHBondContact O-N 3Å
187	K	91.8	Very high	91.4	Very high	177 Å²	177	87.4 Å²	87.4	77%	0.77	45%	0.45	S	S	*	.	H	α-helix	trans	-90.9	-13	177.1	-66.5	-176	179.4	-173.8	0	113.7	S184 L185 K189	S184-K187 CarbonylContact O-C 3.43Å; S184-K187 PolarHBondContact O-N 2.93Å; L185-K187 PolarHBondContact O-N 2.98Å; K187-K189 PolarHBondContact O-N 2.82Å
188	A	90.7	Very high	91.4	Very high	8 Å²	8	85.4 Å²	85.4	7%	0.066	45%	0.445	C	S	.	.			trans	-73.4	122.1	-174.5	0	0	0	0	0	111.4	S184 L185 Q193 R194 L197	S184-A188 PolarHBondContact O-N 3.35Å; S184-A188 VanDerWaalsContact O-N 3.08Å; L185-A188 WeakPolarHBondContact O-CB 3.43Å; L185-A188 PolarHBondContact O-N 2.9Å; L185-A188 VanDerWaalsContact O-N 3.12Å; A188-Q193 HydrophobicContact CB-CB 4.06Å; A188-R194 HydrophobicContact CB-CG 3.64Å; A188-R194 PolarHBondContact O-NE 3.33Å; A188-R194 VanDerWaalsContact O-NE 3.09Å; A188-R194 PolarHBondContact O-NH2 2.67Å; A188-L197 HydrophobicContact CB-CD1 4.01Å
189	K	92	Very high	91.4	Very high	202 Å²	202	89 Å²	89	88%	0.878	48%	0.476	S	S	*	.			trans	-89.2	-25.5	-175.4	-64.5	-173.4	178.8	-176.8	0	113.7	K187	K187-K189 PolarHBondContact O-N 2.82Å
190	S	93.4	Very high	91.3	Very high	51 Å²	51	87.9 Å²	87.9	36%	0.357	48%	0.48	S	S	.	.	S	Bend	trans	-110.5	152.4	-178.2	64.6	0	0	0	0	112.5	G192 Q193 R194	S190-G192 VanDerWaalsContact C-N 3.31Å; S190-G192 PolarHBondContact O-N 2.93Å; S190-Q193 PolarHBondContact O-N 2.71Å; S190-Q193 WeakPolarHBondContact OG-CB 3.48Å; S190-Q193 VanDerWaalsContact OG-CD 3.25Å; S190-Q193 WeakPolarHBondContact OG-CG 3.03Å; S190-Q193 PolarHBondContact OG-N 2.84Å; S190-Q193 PolarHBondContact OG-OE1 2.83Å; S190-R194 WeakPolarHBondContact O-CG 3.35Å; S190-R194 PolarHBondContact O-N 3.05Å; S190-R194 VanDerWaalsContact O-N 3.11Å
191	V	89.9	Confident	91.2	Very high	111 Å²	111	82.6 Å²	82.6	67%	0.673	46%	0.458	S	S	*	.	H	α-helix	trans	-61.2	-40.4	176.5	-179.3	0	0	0	0	111.1	Q193 R194 L195	V191-Q193 PolarHBondContact O-N 2.83Å; V191-R194 PolarHBondContact O-N 2.87Å; V191-L195 HydrophobicContact CG1-CD1 4.01Å; V191-L195 HydrophobicContact CG1-CG 4.33Å; V191-L195 WeakPolarHBondContact O-CG 3.07Å; V191-L195 PolarHBondContact O-N 2.84Å
192	G	92.7	Very high	91.1	Very high	53 Å²	53	90.2 Å²	90.2	55%	0.546	49%	0.485	S	S	.	.	H	α-helix	trans	-62	-42.9	177.4	0	0	0	0	0	113.3	S190 R194 L195 G196	S190-G192 VanDerWaalsContact C-N 3.31Å; S190-G192 PolarHBondContact O-N 2.93Å; G192-R194 VanDerWaalsContact C-N 3.35Å; G192-R194 PolarHBondContact O-N 2.64Å; G192-L195 PolarHBondContact O-N 2.81Å; G192-G196 PolarHBondContact O-N 2.63Å
193	Q	89	Confident	90.9	Very high	109 Å²	109	93.3 Å²	93.3	51%	0.509	50%	0.503	S	S	.	.	H	α-helix	trans	-63.5	-40.7	174.5	-75.4	170	-11.5	0	0	111.9	A188 S190 V191 G196 L197	A188-Q193 HydrophobicContact CB-CB 4.06Å; S190-Q193 PolarHBondContact O-N 2.71Å; S190-Q193 WeakPolarHBondContact OG-CB 3.48Å; S190-Q193 VanDerWaalsContact OG-CD 3.25Å; S190-Q193 WeakPolarHBondContact OG-CG 3.03Å; S190-Q193 PolarHBondContact OG-N 2.84Å; S190-Q193 PolarHBondContact OG-OE1 2.83Å; V191-Q193 PolarHBondContact O-N 2.83Å; Q193-G196 PolarHBondContact O-N 2.71Å; Q193-L197 WeakPolarHBondContact O-CB 3.36Å; Q193-L197 WeakPolarHBondContact O-CG 3.48Å; Q193-L197 PolarHBondContact O-N 3.23Å
194	R	89.3	Confident	90.7	Very high	129 Å²	129	91.7 Å²	91.7	49%	0.487	51%	0.506	S	S	.	.	H	α-helix	trans	-63.2	-46.9	176.9	-71.9	178.8	178.6	-164.2	-1.4	111.6	L185 A188 S190 V191 G192 G196 L197 L198	L185-R194 HydrophobicContact CD2-CB 4.43Å; A188-R194 HydrophobicContact CB-CG 3.64Å; A188-R194 PolarHBondContact O-NE 3.33Å; A188-R194 VanDerWaalsContact O-NE 3.09Å; A188-R194 PolarHBondContact O-NH2 2.67Å; S190-R194 WeakPolarHBondContact O-CG 3.35Å; S190-R194 PolarHBondContact O-N 3.05Å; S190-R194 VanDerWaalsContact O-N 3.11Å; V191-R194 PolarHBondContact O-N 2.87Å; G192-R194 VanDerWaalsContact C-N 3.35Å; G192-R194 PolarHBondContact O-N 2.64Å; R194-G196 PolarHBondContact O-N 3.44Å; R194-L197 PolarHBondContact O-N 3.1Å; R194-L198 WeakPolarHBondContact O-CG 3.41Å; R194-L198 PolarHBondContact O-N 3.48Å
195	L	91.3	Very high	90.5	Very high	112 Å²	112	90.7 Å²	90.7	59%	0.586	50%	0.496	S	S	*	.	H	α-helix	trans	-61.4	-43.6	176.9	-72.6	172.3	0	0	0	111.8	V191 G192 L197 L198 A199	V191-L195 HydrophobicContact CG1-CD1 4.01Å; V191-L195 HydrophobicContact CG1-CG 4.33Å; V191-L195 WeakPolarHBondContact O-CG 3.07Å; V191-L195 PolarHBondContact O-N 2.84Å; G192-L195 PolarHBondContact O-N 2.81Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L195-L197 PolarHBondContact O-N 3.22Å; L195-L198 PolarHBondContact O-N 3.13Å; L195-A199 WeakPolarHBondContact O-CB 3.4Å; L195-A199 PolarHBondContact O-N 2.91Å
196	G	91.4	Very high	90.1	Very high	47 Å²	47	93.3 Å²	93.3	49%	0.485	51%	0.51	S	S	.	.	H	α-helix	trans	-61.8	-39.6	176.6	0	0	0	0	0	113.2	G192 Q193 R194 A199 S200	G192-G196 PolarHBondContact O-N 2.63Å; Q193-G196 PolarHBondContact O-N 2.71Å; R194-G196 PolarHBondContact O-N 3.44Å; G196-A199 PolarHBondContact O-N 3.34Å; G196-S200 PolarHBondContact O-N 3.21Å
197	L	89.9	Confident	89.9	Confident	45 Å²	45	89 Å²	89	24%	0.236	50%	0.495	C	S	.	.	H	α-helix	trans	-69.4	-41.4	175.7	-74.4	169.8	0	0	0	112.3	T181 L185 A188 Q193 R194 L195 A199 S200	T181-L197 HydrophobicContact CG2-CB 4.35Å; T181-L197 HydrophobicContact CG2-CD2 4.47Å; T181-L197 WeakPolarHBondContact CG2-O 3.36Å; L185-L197 HydrophobicContact CD2-CB 3.4Å; L185-L197 VanDerWaalsContact CD2-CB 3.4Å; L185-L197 HydrophobicContact CD2-CD1 3.94Å; L185-L197 HydrophobicContact CD2-CG 4.34Å; L185-L197 HydrophobicContact CG-CB 3.81Å; L185-L197 HydrophobicContact CG-CD1 4.1Å; A188-L197 HydrophobicContact CB-CD1 4.01Å; Q193-L197 WeakPolarHBondContact O-CB 3.36Å; Q193-L197 WeakPolarHBondContact O-CG 3.48Å; Q193-L197 PolarHBondContact O-N 3.23Å; R194-L197 PolarHBondContact O-N 3.1Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L195-L197 PolarHBondContact O-N 3.22Å; L197-A199 VanDerWaalsContact C-N 3.33Å; L197-A199 PolarHBondContact O-N 3.2Å; L197-S200 WeakPolarHBondContact O-CB 3.26Å; L197-S200 PolarHBondContact O-N 2.74Å; L197-S200 VanDerWaalsContact O-N 3.13Å; L197-S200 PolarHBondContact O-OG 3.06Å
198	L	90.6	Very high	89.6	Confident	91 Å²	91	84.6 Å²	84.6	48%	0.476	48%	0.484	S	S	.	.	H	α-helix	trans	-61.9	-41.9	174.2	-73.3	171.5	0	0	0	111.4	L185 R194 L195 S200 I201	L185-L198 HydrophobicContact CD1-CD2 3.92Å; L185-L198 HydrophobicContact CD1-CG 4.46Å; L185-L198 HydrophobicContact CD2-CD2 4.38Å; L185-L198 HydrophobicContact CD2-CG 4.07Å; R194-L198 WeakPolarHBondContact O-CG 3.41Å; R194-L198 PolarHBondContact O-N 3.48Å; L195-L198 PolarHBondContact O-N 3.13Å; L198-S200 PolarHBondContact O-N 2.85Å; L198-I201 HydrophobicContact CD2-CD1 4.1Å; L198-I201 WeakPolarHBondContact O-CB 3.42Å; L198-I201 PolarHBondContact O-N 3.11Å; L198-I201 VanDerWaalsContact O-N 3.08Å
199	A	91.6	Very high	89.1	Confident	84 Å²	84	88.1 Å²	88.1	69%	0.694	50%	0.499	S	S	*	.	H	α-helix	trans	-63	-21.6	175.7	0	0	0	0	0	113.4	L195 G196 L197 I201	L195-A199 WeakPolarHBondContact O-CB 3.4Å; L195-A199 PolarHBondContact O-N 2.91Å; G196-A199 PolarHBondContact O-N 3.34Å; L197-A199 VanDerWaalsContact C-N 3.33Å; L197-A199 PolarHBondContact O-N 3.2Å; A199-I201 VanDerWaalsContact C-N 3.32Å
200	S	89.4	Confident	88.3	Confident	49 Å²	49	84.4 Å²	84.4	34%	0.343	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.6	176.5	81	0	0	0	0	114.1	G196 L197 L198 R202 H205	G196-S200 PolarHBondContact O-N 3.21Å; L197-S200 WeakPolarHBondContact O-CB 3.26Å; L197-S200 PolarHBondContact O-N 2.74Å; L197-S200 VanDerWaalsContact O-N 3.13Å; L197-S200 PolarHBondContact O-OG 3.06Å; L198-S200 PolarHBondContact O-N 2.85Å; S200-R202 PolarHBondContact O-N 3.34Å; S200-H205 PolarHBondContact O-CE1 3.14Å
201	I	91.4	Very high	87.2	Confident	43 Å²	43	85 Å²	85	22%	0.221	49%	0.491	C	S	.	.			trans	-75	120	177.5	-59.1	176.7	0	0	0	108.7	M178 T181 M182 L185 L198 A199	M178-I201 HydrophobicContact CE-CD1 4.35Å; M178-I201 HydrophobicContact CE-CG2 4.4Å; M178-I201 HydrophobicContact SD-CD1 4.26Å; M178-I201 HydrophobicContact SD-CG1 4.31Å; M178-I201 HydrophobicContact SD-CG2 3.88Å; T181-I201 HydrophobicContact CG2-CD1 4.26Å; T181-I201 HydrophobicContact CG2-CG1 3.79Å; M182-I201 HydrophobicContact CE-CD1 4.24Å; L185-I201 HydrophobicContact CD1-CD1 4.38Å; L198-I201 HydrophobicContact CD2-CD1 4.1Å; L198-I201 WeakPolarHBondContact O-CB 3.42Å; L198-I201 PolarHBondContact O-N 3.11Å; L198-I201 VanDerWaalsContact O-N 3.08Å; A199-I201 VanDerWaalsContact C-N 3.32Å
202	R	90.1	Very high	86.2	Confident	175 Å²	175	83.4 Å²	83.4	66%	0.66	49%	0.489	S	S	*	.			trans	-105.8	154.4	175	-61.2	-179.8	-178.1	169.7	-0.3	109.6	S200 A204 H205	S200-R202 PolarHBondContact O-N 3.34Å; R202-A204 PolarHBondContact O-N 2.88Å; R202-H205 PolarHBondContact N-ND1 3.04Å; R202-H205 VanDerWaalsContact O-CB 3.27Å; R202-H205 WeakPolarHBondContact O-CB 3.38Å; R202-H205 PolarHBondContact O-N 2.9Å
203	L	87.4	Confident	85.3	Confident	151 Å²	151	84.2 Å²	84.2	79%	0.791	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-54.6	-38.8	177.4	-170.5	62.6	0	0	0	112.1	H205 L206	L203-H205 PolarHBondContact O-N 2.85Å; L203-L206 HydrophobicContact CD1-CD1 4.08Å; L203-L206 WeakPolarHBondContact O-CB 3.26Å; L203-L206 PolarHBondContact O-N 2.83Å
204	A	87.3	Confident	84.7	Confident	81 Å²	81	80.8 Å²	80.8	67%	0.669	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-62.1	-23.4	175.4	0	0	0	0	0	114.2	R202 L206	R202-A204 PolarHBondContact O-N 2.88Å; A204-L206 VanDerWaalsContact C-N 3.26Å; A204-L206 PolarHBondContact O-N 2.79Å
205	H	88.6	Confident	84.3	Confident	21 Å²	21	75.6 Å²	75.6	10%	0.097	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-74.1	-20.5	176.9	-59.5	169.3	0	0	0	112.1	S175 K177 M178 S200 R202 L203 A207	S175-H205 WeakPolarHBondContact CB-O 3.36Å; S175-H205 WeakPolarHBondContact OG-CA 3.18Å; S175-H205 PolarHBondContact OG-O 2.94Å; K177-H205 WeakPolarHBondContact CD-NE2 3.28Å; M178-H205 HydrophobicContact CB-CB 4.1Å; M178-H205 VanDerWaalsContact CB-O 3.3Å; M178-H205 WeakPolarHBondContact CB-O 3.44Å; M178-H205 HydrophobicContact SD-CB 4.44Å; S200-H205 PolarHBondContact O-CE1 3.14Å; R202-H205 PolarHBondContact N-ND1 3.04Å; R202-H205 VanDerWaalsContact O-CB 3.27Å; R202-H205 WeakPolarHBondContact O-CB 3.38Å; R202-H205 PolarHBondContact O-N 2.9Å; L203-H205 PolarHBondContact O-N 2.85Å; H205-A207 VanDerWaalsContact C-N 3.31Å
206	L	85.4	Confident	83.7	Confident	78 Å²	78	79.8 Å²	79.8	41%	0.408	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-79.7	-13.7	-179.6	-62.2	174.2	0	0	0	113.1	M178 L203 A204	M178-L206 HydrophobicContact CE-CD2 3.49Å; M178-L206 VanDerWaalsContact CE-CD2 3.49Å; M178-L206 HydrophobicContact SD-CD2 4.08Å; L203-L206 HydrophobicContact CD1-CD1 4.08Å; L203-L206 WeakPolarHBondContact O-CB 3.26Å; L203-L206 PolarHBondContact O-N 2.83Å; A204-L206 VanDerWaalsContact C-N 3.26Å; A204-L206 PolarHBondContact O-N 2.79Å
207	A	85.4	Confident	83.2	Confident	53 Å²	53	81.8 Å²	81.8	44%	0.438	48%	0.476	S	S	.	.	S	Bend	trans	-56.1	130.8	177.4	0	0	0	0	0	111	H205	H205-A207 VanDerWaalsContact C-N 3.31Å
208	P	84.5	Confident	82.9	Confident	84 Å²	84	81.8 Å²	81.8	55%	0.545	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	138.1	177.7	28.3	-32.8	0	0	0	110.9	I172	I172-P208 HydrophobicContact CG2-CB 3.72Å
209	E	81	Confident	82.6	Confident	82 Å²	82	81.5 Å²	81.5	38%	0.383	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	96.5	164.7	-70.9	177.3	176.3	0	0	106.8	R173 S175 R176 R179	R173-E209 HydrophobicContact CB-CB 4.17Å; R173-E209 PolarHBondContact N-O 2.59Å; R173-E209 PolarHBondContact O-N 3.41Å; S175-E209 VanDerWaalsContact CA-OE1 3.3Å; S175-E209 WeakPolarHBondContact CA-OE1 3.44Å; R176-E209 PolarHBondContact N-OE1 2.96Å; R179-E209 IonicContact NH2-OE2 2.74Å; R179-E209 PolarHBondContact NH2-OE2 3.26Å
210	L	75	Confident	82.4	Confident	123 Å²	123	79.5 Å²	79.5	64%	0.644	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-71.1	140.1	175.8	-64.5	176.2	0	0	0	110.3	I172 A212	I172-L210 HydrophobicContact CD1-CD2 3.85Å; I172-L210 HydrophobicContact CG1-CD2 4Å; I172-L210 HydrophobicContact CG2-CD2 4.08Å; L210-A212 PolarHBondContact O-N 2.94Å
211	P	70.9	Confident	82.4	Confident	65 Å²	65	79.3 Å²	79.3	42%	0.422	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-66.1	125.9	173.2	26	-30.4	0	0	0	109.8	V170	V170-P211 HydrophobicContact CB-CG 3.72Å; V170-P211 HydrophobicContact CG2-CG 3.49Å; V170-P211 VanDerWaalsContact CG2-CG 3.49Å
212	A	68.3	Low	82.4	Confident	76 Å²	76	78.4 Å²	78.4	63%	0.628	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-101.1	137.7	172	0	0	0	0	0	109.5	L210 A214	L210-A212 PolarHBondContact O-N 2.94Å; A212-A214 HydrophobicContact CB-CB 4.02Å; A212-A214 PolarHBondContact O-N 3.1Å
213	V	72.7	Confident	82.6	Confident	70 Å²	70	70.2 Å²	70.2	42%	0.424	43%	0.426	S	S	.	.			trans	-77.1	63.1	167.5	-168.7	0	0	0	0	108.5	M167 M222 F429	M167-V213 HydrophobicContact CE-CG2 4.27Å; V213-M222 HydrophobicContact CG1-CG 4.12Å; V213-M222 PolarHBondContact O-N 3.41Å; V213-F429 HydrophobicContact CG1-CZ 4.03Å
214	A	77.7	Confident	82.9	Confident	38 Å²	38	66.2 Å²	66.2	31%	0.314	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-122.7	142.2	-177.8	0	0	0	0	0	110.1	A212 F216 E220 T221	A212-A214 HydrophobicContact CB-CB 4.02Å; A212-A214 PolarHBondContact O-N 3.1Å; A214-F216 PolarHBondContact O-N 3.35Å; A214-E220 CarbonylContact C-O 3.48Å; A214-E220 WeakPolarHBondContact CA-O 3.45Å; A214-T221 HydrophobicContact CB-CG2 4.32Å
215	E	81	Confident	83.2	Confident	19 Å²	19	62.4 Å²	62.4	9%	0.089	37%	0.372	C	S	.	.			trans	-67.3	122.6	172.1	177	52.6	-119	0	0	108.4	S217 T218 A219 E220 P346 G460	E215-S217 PolarHBondContact O-N 2.86Å; E215-S217 PolarHBondContact OE1-N 2.86Å; E215-S217 PolarHBondContact OE1-OG 3.4Å; E215-S217 VanDerWaalsContact OE1-OG 3.08Å; E215-T218 WeakPolarHBondContact CB-OG1 3.33Å; E215-T218 HydrophobicContact CG-CG2 4.16Å; E215-T218 WeakPolarHBondContact CG-OG1 3.41Å; E215-T218 PolarHBondContact O-N 3.05Å; E215-A219 VanDerWaalsContact O-CA 3.24Å; E215-A219 WeakPolarHBondContact O-CA 3.45Å; E215-A219 PolarHBondContact O-N 2.84Å; E215-E220 PolarHBondContact N-O 3.43Å; E215-P346 HydrophobicContact CG-CB 4.32Å; E215-G460 VanDerWaalsContact OE2-CA 3.31Å; E215-G460 WeakPolarHBondContact OE2-CA 3.42Å; E215-G460 PolarHBondContact OE2-N 3.24Å
216	F	78.6	Confident	83.6	Confident	200 Å²	200	61.4 Å²	61.4	88%	0.877	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-35.3	-176.7	-174.2	-92.1	0	0	0	111.2	A214	A214-F216 PolarHBondContact O-N 3.35Å
217	S	81.1	Confident	84.1	Confident	90 Å²	90	58 Å²	58	63%	0.629	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-29.8	-174.8	-48.7	0	0	0	0	113.3	E215	E215-S217 PolarHBondContact O-N 2.86Å; E215-S217 PolarHBondContact OE1-N 2.86Å; E215-S217 PolarHBondContact OE1-OG 3.4Å; E215-S217 VanDerWaalsContact OE1-OG 3.08Å
218	T	83.1	Confident	84.5	Confident	44 Å²	44	59.6 Å²	59.6	27%	0.27	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-12.1	-175.5	63.8	0	0	0	0	113.1	E215 E220 P346 K347	E215-T218 WeakPolarHBondContact CB-OG1 3.33Å; E215-T218 HydrophobicContact CG-CG2 4.16Å; E215-T218 WeakPolarHBondContact CG-OG1 3.41Å; E215-T218 PolarHBondContact O-N 3.05Å; T218-E220 PolarHBondContact O-N 3Å; T218-E220 PolarHBondContact OG1-N 2.62Å; T218-P346 HydrophobicContact CG2-CB 4.21Å; T218-K347 HydrophobicContact CG2-CB 4.12Å; T218-K347 HydrophobicContact CG2-CG 4.43Å
219	A	85.1	Confident	85.1	Confident	86 Å²	86	55.9 Å²	55.9	71%	0.711	32%	0.32	S	S	*	.			trans	57.5	15.3	-170.1	0	0	0	0	0	114.4	E215	E215-A219 VanDerWaalsContact O-CA 3.24Å; E215-A219 WeakPolarHBondContact O-CA 3.45Å; E215-A219 PolarHBondContact O-N 2.84Å
220	E	86.5	Confident	85.9	Confident	41 Å²	41	52 Å²	52	19%	0.192	30%	0.302	C	S	.	.			trans	-94.4	142.4	179.4	-167.3	179.4	-155.4	0	0	110.8	A214 E215 T218 H224 S225 R228	A214-E220 CarbonylContact C-O 3.48Å; A214-E220 WeakPolarHBondContact CA-O 3.45Å; E215-E220 PolarHBondContact N-O 3.43Å; T218-E220 PolarHBondContact O-N 3Å; T218-E220 PolarHBondContact OG1-N 2.62Å; E220-H224 HydrophobicContact CG-CB 3.54Å; E220-H224 VanDerWaalsContact OE1-C 3.3Å; E220-H224 WeakPolarHBondContact OE1-CB 3.35Å; E220-S225 WeakPolarHBondContact CG-OG 3.22Å; E220-S225 PolarHBondContact OE1-N 2.78Å; E220-S225 WeakPolarHBondContact OE2-CB 3.48Å; E220-S225 PolarHBondContact OE2-OG 2.91Å; E220-R228 IonicContact OE1-NE 2.75Å; E220-R228 IonicContact OE1-NH2 2.75Å; E220-R228 IonicContact OE2-CZ 3.74Å; E220-R228 IonicContact OE2-NE 3.94Å; E220-R228 IonicContact OE2-NH2 3.61Å; E220-R228 PolarHBondContact OE2-NH2 3.5Å
221	T	90.3	Very high	86.9	Confident	46 Å²	46	49.1 Å²	49.1	28%	0.282	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-78	149.4	172.6	82.2	0	0	0	0	111.1	A214 G223 H224 S225	A214-T221 HydrophobicContact CB-CG2 4.32Å; T221-G223 PolarHBondContact O-N 3.5Å; T221-H224 PolarHBondContact O-N 3.08Å; T221-H224 PolarHBondContact OG1-ND1 3.4Å; T221-S225 PolarHBondContact O-N 3.2Å; T221-S225 VanDerWaalsContact O-N 3.17Å; T221-S225 PolarHBondContact O-OG 2.85Å
222	M	91.3	Very high	88.1	Confident	24 Å²	24	49.8 Å²	49.8	12%	0.118	31%	0.307	C	S	.	.	H	α-helix	trans	-53.4	-36.2	-177.2	-66.6	-58.4	-63.8	0	0	113.5	V213 A226 L350 L351 F381 A459	V213-M222 HydrophobicContact CG1-CG 4.12Å; V213-M222 PolarHBondContact O-N 3.41Å; M222-A226 WeakPolarHBondContact O-CB 3.41Å; M222-A226 PolarHBondContact O-N 3.42Å; M222-L350 HydrophobicContact CE-CD1 3.85Å; M222-L350 HydrophobicContact SD-CD1 3.74Å; M222-L351 HydrophobicContact CE-CD2 3.58Å; M222-L351 HydrophobicContact CE-CG 4.42Å; M222-F381 HydrophobicContact CB-CE2 4.24Å; M222-F381 HydrophobicContact CB-CZ 4.46Å; M222-A459 HydrophobicContact CE-CB 4.08Å; M222-A459 HydrophobicContact SD-CB 3.79Å
223	G	92.5	Very high	89.5	Confident	2 Å²	2	48 Å²	48	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-74.7	-29.4	178.2	0	0	0	0	0	114.8	T221 A226 D227 F295 F381	T221-G223 PolarHBondContact O-N 3.5Å; G223-A226 PolarHBondContact O-N 3.48Å; G223-D227 PolarHBondContact O-N 3.25Å; G223-F295 VanDerWaalsContact C-CG 3.42Å; G223-F381 VanDerWaalsContact CA-CZ 3.48Å
224	H	94.1	Very high	90.7	Very high	68 Å²	68	46.9 Å²	46.9	32%	0.315	29%	0.288	S	S	.	.	H	α-helix	trans	-67.2	-43.9	171.6	-76.9	86.2	0	0	0	110.4	E220 T221 A226 D227 R228 F295	E220-H224 HydrophobicContact CG-CB 3.54Å; E220-H224 VanDerWaalsContact OE1-C 3.3Å; E220-H224 WeakPolarHBondContact OE1-CB 3.35Å; T221-H224 PolarHBondContact O-N 3.08Å; T221-H224 PolarHBondContact OG1-ND1 3.4Å; H224-A226 VanDerWaalsContact C-N 3.28Å; H224-A226 PolarHBondContact O-N 3.14Å; H224-D227 PolarHBondContact O-N 3.03Å; H224-R228 PolarHBondContact O-N 3.01Å; H224-F295 PolarHBondContact NE2-O 3.03Å
225	S	93.9	Very high	91.7	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.007	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-35.4	176.4	-44.3	0	0	0	0	112	E220 T221 L229	E220-S225 WeakPolarHBondContact CG-OG 3.22Å; E220-S225 PolarHBondContact OE1-N 2.78Å; E220-S225 WeakPolarHBondContact OE2-CB 3.48Å; E220-S225 PolarHBondContact OE2-OG 2.91Å; T221-S225 PolarHBondContact O-N 3.2Å; T221-S225 VanDerWaalsContact O-N 3.17Å; T221-S225 PolarHBondContact O-OG 2.85Å; S225-L229 WeakPolarHBondContact O-CB 3.41Å; S225-L229 PolarHBondContact O-N 3.23Å
226	A	96.2	Very high	92.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64	-41.9	173.9	0	0	0	0	0	112.8	M222 G223 H224 L229 A230 V302 L351 F381	M222-A226 WeakPolarHBondContact O-CB 3.41Å; M222-A226 PolarHBondContact O-N 3.42Å; G223-A226 PolarHBondContact O-N 3.48Å; H224-A226 VanDerWaalsContact C-N 3.28Å; H224-A226 PolarHBondContact O-N 3.14Å; A226-L229 PolarHBondContact O-N 3.31Å; A226-A230 WeakPolarHBondContact O-CB 3.3Å; A226-A230 PolarHBondContact O-N 2.79Å; A226-V302 HydrophobicContact CB-CG2 4.37Å; A226-L351 HydrophobicContact CB-CD1 3.68Å; A226-F381 HydrophobicContact CB-CB 3.98Å; A226-F381 HydrophobicContact CB-CD1 4.08Å; A226-F381 HydrophobicContact CB-CD2 3.45Å; A226-F381 VanDerWaalsContact CB-CD2 3.45Å; A226-F381 HydrophobicContact CB-CE2 3.94Å; A226-F381 HydrophobicContact CB-CG 3.56Å; A226-F381 HydrophobicContact CB-CZ 4.45Å
227	D	96.3	Very high	93.4	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-66.5	-46.2	179.1	-152.6	-41.8	0	0	0	111.3	G223 H224 L229 A230 A231 V296 G300 T301 V302	G223-D227 PolarHBondContact O-N 3.25Å; H224-D227 PolarHBondContact O-N 3.03Å; D227-L229 PolarHBondContact O-N 3.34Å; D227-A230 WeakPolarHBondContact O-CB 3.37Å; D227-A230 PolarHBondContact O-N 2.97Å; D227-A231 PolarHBondContact O-N 2.97Å; D227-V296 HydrophobicContact CB-CB 4.39Å; D227-V296 HydrophobicContact CB-CG2 3.84Å; D227-G300 WeakPolarHBondContact OD1-CA 3.24Å; D227-G300 WeakPolarHBondContact OD2-CA 3.4Å; D227-T301 VanDerWaalsContact CG-N 3.29Å; D227-T301 PolarHBondContact OD1-N 2.73Å; D227-T301 PolarHBondContact OD1-OG1 3.41Å; D227-T301 PolarHBondContact OD2-N 2.75Å; D227-V302 HydrophobicContact CB-CB 4.09Å; D227-V302 HydrophobicContact CB-CG2 3.74Å; D227-V302 PolarHBondContact OD2-N 2.87Å
228	R	94.9	Very high	94.2	Very high	85 Å²	85	41.4 Å²	41.4	32%	0.321	25%	0.254	S	S	.	.	H	α-helix	trans	-63.4	-41.4	174.8	179.3	177	49.2	129.3	9	112.2	E220 H224 A231 A232 K347 D348	E220-R228 IonicContact OE1-NE 2.75Å; E220-R228 IonicContact OE1-NH2 2.75Å; E220-R228 IonicContact OE2-CZ 3.74Å; E220-R228 IonicContact OE2-NE 3.94Å; E220-R228 IonicContact OE2-NH2 3.61Å; E220-R228 PolarHBondContact OE2-NH2 3.5Å; H224-R228 PolarHBondContact O-N 3.01Å; R228-A231 PolarHBondContact O-N 2.65Å; R228-A232 WeakPolarHBondContact O-CB 3.43Å; R228-A232 PolarHBondContact O-N 2.86Å; R228-K347 PolarHBondContact NH1-O 2.9Å; R228-K347 PolarHBondContact NH2-O 3.46Å; R228-D348 IonicContact CZ-OD1 4Å; R228-D348 IonicContact NH1-OD1 4Å; R228-D348 PolarHBondContact NH1-OD1 3.49Å
229	L	96.4	Very high	95	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.037	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-45	176.2	-179	69.9	0	0	0	110.9	S225 A226 D227 A231 A232 F233 L351 L352 A387	S225-L229 WeakPolarHBondContact O-CB 3.41Å; S225-L229 PolarHBondContact O-N 3.23Å; A226-L229 PolarHBondContact O-N 3.31Å; D227-L229 PolarHBondContact O-N 3.34Å; L229-A231 VanDerWaalsContact C-N 3.31Å; L229-A231 PolarHBondContact O-N 2.76Å; L229-A232 PolarHBondContact O-N 3.28Å; L229-F233 HydrophobicContact CD1-CD2 3.71Å; L229-F233 HydrophobicContact CD1-CE2 3.5Å; L229-F233 VanDerWaalsContact CD1-CE2 3.5Å; L229-F233 HydrophobicContact CG-CD2 4.27Å; L229-F233 HydrophobicContact CG-CE2 4.48Å; L229-F233 WeakPolarHBondContact O-CD2 3.01Å; L229-F233 PolarHBondContact O-N 3.01Å; L229-L351 HydrophobicContact CD2-CB 3.58Å; L229-L352 HydrophobicContact CD1-CD1 4.15Å; L229-L352 HydrophobicContact CD1-CD2 4.04Å; L229-L352 HydrophobicContact CD1-CG 3.97Å; L229-L352 HydrophobicContact CD2-CD2 4.07Å; L229-L352 HydrophobicContact CD2-CG 4.32Å; L229-A387 HydrophobicContact CD2-CB 3.95Å; L229-A387 HydrophobicContact CG-CB 3.78Å
230	A	97.4	Very high	95.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-56.9	-47.2	175.6	0	0	0	0	0	110.8	A226 D227 A232 F233 G234 V235	A226-A230 WeakPolarHBondContact O-CB 3.3Å; A226-A230 PolarHBondContact O-N 2.79Å; D227-A230 WeakPolarHBondContact O-CB 3.37Å; D227-A230 PolarHBondContact O-N 2.97Å; A230-A232 PolarHBondContact O-N 2.89Å; A230-F233 PolarHBondContact O-N 2.97Å; A230-G234 PolarHBondContact O-N 3.4Å; A230-G234 VanDerWaalsContact O-N 3.17Å; A230-V235 HydrophobicContact CB-CB 3.99Å; A230-V235 HydrophobicContact CB-CG1 4.47Å; A230-V235 WeakPolarHBondContact O-CB 2.97Å; A230-V235 PolarHBondContact O-N 2.94Å
231	A	96.6	Very high	96.2	Very high	63 Å²	63	35.8 Å²	35.8	52%	0.521	21%	0.21	S	C	.	.	H	α-helix	trans	-60.7	-42.5	175.5	0	0	0	0	0	112.8	D227 R228 L229 F233 G234	D227-A231 PolarHBondContact O-N 2.97Å; R228-A231 PolarHBondContact O-N 2.65Å; L229-A231 VanDerWaalsContact C-N 3.31Å; L229-A231 PolarHBondContact O-N 2.76Å; A231-F233 PolarHBondContact O-N 3.32Å; A231-G234 PolarHBondContact O-N 2.68Å
232	A	96.3	Very high	96.6	Very high	78 Å²	78	38.4 Å²	38.4	65%	0.645	22%	0.219	S	C	*	.	H	α-helix	trans	-61.5	-31.3	-179.5	0	0	0	0	0	113.3	R228 L229 A230	R228-A232 WeakPolarHBondContact O-CB 3.43Å; R228-A232 PolarHBondContact O-N 2.86Å; L229-A232 PolarHBondContact O-N 3.28Å; A230-A232 PolarHBondContact O-N 2.89Å
233	F	97.4	Very high	96.9	Very high	39 Å²	39	37.7 Å²	37.7	17%	0.171	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	11	176.5	-73.3	-88.2	0	0	0	113.4	L229 A230 A231 V235 L352 A387 K390 A391 F397	L229-F233 HydrophobicContact CD1-CD2 3.71Å; L229-F233 HydrophobicContact CD1-CE2 3.5Å; L229-F233 VanDerWaalsContact CD1-CE2 3.5Å; L229-F233 HydrophobicContact CG-CD2 4.27Å; L229-F233 HydrophobicContact CG-CE2 4.48Å; L229-F233 WeakPolarHBondContact O-CD2 3.01Å; L229-F233 PolarHBondContact O-N 3.01Å; A230-F233 PolarHBondContact O-N 2.97Å; A231-F233 PolarHBondContact O-N 3.32Å; F233-V235 VanDerWaalsContact C-N 3.27Å; F233-V235 HydrophobicContact CB-CG2 4.26Å; F233-V235 PolarHBondContact O-N 3.28Å; F233-L352 HydrophobicContact CE2-CD1 3.94Å; F233-L352 HydrophobicContact CE2-CD2 4.19Å; F233-L352 HydrophobicContact CZ-CD1 3.91Å; F233-L352 HydrophobicContact CZ-CD2 4.36Å; F233-A387 HydrophobicContact CB-CB 4.01Å; F233-A387 HydrophobicContact CD2-CB 3.99Å; F233-A387 HydrophobicContact CG-CB 4.16Å; F233-K390 HydrophobicContact CB-CB 4.3Å; F233-K390 HydrophobicContact CD1-CB 4.28Å; F233-K390 WeakPolarHBondContact O-CD 3.33Å; F233-A391 HydrophobicContact CD1-CB 4.04Å; F233-A391 HydrophobicContact CE1-CB 3.36Å; F233-A391 HydrophobicContact CZ-CB 3.7Å; F233-F397 AromaticContact CE1-CD2 3.85Å; F233-F397 HydrophobicContact CE1-CD2 3.85Å; F233-F397 HydrophobicContact CE1-CE2 4.25Å; F233-F397 HydrophobicContact CE1-CG 4.33Å; F233-F397 AromaticContact CZ-CD2 3.68Å; F233-F397 HydrophobicContact CZ-CD2 3.68Å; F233-F397 AromaticContact CZ-CE2 3.61Å; F233-F397 HydrophobicContact CZ-CE2 3.61Å; F233-F397 HydrophobicContact CZ-CG 4.47Å; F233-F397 HydrophobicContact CZ-CZ 4.34Å
234	G	97.4	Very high	97.2	Very high	47 Å²	47	37.6 Å²	37.6	49%	0.485	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	35.8	179.8	0	0	0	0	0	113.1	A230 A231 K390	A230-G234 PolarHBondContact O-N 3.4Å; A230-G234 VanDerWaalsContact O-N 3.17Å; A231-G234 PolarHBondContact O-N 2.68Å; G234-K390 PolarHBondContact O-NZ 3.25Å
235	V	98.4	Very high	97.4	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.024	21%	0.209	C	C	.	.			trans	-81.5	115.6	173.8	-179	0	0	0	0	108.9	A230 F233 E239 Q240 M386 A387 K390	A230-V235 HydrophobicContact CB-CB 3.99Å; A230-V235 HydrophobicContact CB-CG1 4.47Å; A230-V235 WeakPolarHBondContact O-CB 2.97Å; A230-V235 PolarHBondContact O-N 2.94Å; F233-V235 VanDerWaalsContact C-N 3.27Å; F233-V235 HydrophobicContact CB-CG2 4.26Å; F233-V235 PolarHBondContact O-N 3.28Å; V235-E239 HydrophobicContact CG1-CB 4.31Å; V235-Q240 HydrophobicContact CG1-CG 3.7Å; V235-M386 HydrophobicContact CB-CB 4.45Å; V235-M386 HydrophobicContact CG1-CB 3.59Å; V235-M386 HydrophobicContact CG1-CG 4.32Å; V235-M386 HydrophobicContact CG2-CB 3.93Å; V235-A387 HydrophobicContact CG2-CB 4.09Å; V235-K390 HydrophobicContact CG2-CD 3.92Å
236	T	98.4	Very high	97.6	Very high	70 Å²	70	38.9 Å²	38.9	43%	0.429	22%	0.219	S	C	.	.			trans	-75.2	158.8	-179.1	66.4	0	0	0	0	111.7	L238 E239 Q240	T236-L238 VanDerWaalsContact C-N 3.26Å; T236-L238 PolarHBondContact O-N 3.03Å; T236-E239 WeakPolarHBondContact CB-OE2 3.48Å; T236-E239 WeakPolarHBondContact CG2-OE2 3.48Å; T236-E239 PolarHBondContact N-OE2 3.45Å; T236-E239 PolarHBondContact O-N 3.2Å; T236-E239 VanDerWaalsContact OG1-CG 3.27Å; T236-E239 WeakPolarHBondContact OG1-CG 3.35Å; T236-E239 PolarHBondContact OG1-N 3.48Å; T236-E239 PolarHBondContact OG1-OE2 3.38Å; T236-Q240 WeakPolarHBondContact O-CG 3.3Å; T236-Q240 PolarHBondContact O-N 2.84Å
237	R	98.3	Very high	97.7	Very high	55 Å²	55	38.9 Å²	38.9	21%	0.208	22%	0.219	C	C	.	.	H	α-helix	trans	-57.6	-39.8	171.9	172.7	60.2	-176.5	-76.3	-11.2	112.4	Q240 D241 M288 L291 T301	R237-Q240 PolarHBondContact O-N 3.28Å; R237-D241 IonicContact CZ-OD1 2.86Å; R237-D241 IonicContact CZ-OD2 2.67Å; R237-D241 VanDerWaalsContact NE-CG 3.25Å; R237-D241 IonicContact NE-OD1 3.37Å; R237-D241 PolarHBondContact NE-OD1 2.94Å; R237-D241 IonicContact NE-OD2 2.79Å; R237-D241 PolarHBondContact NE-OD2 3.38Å; R237-D241 IonicContact NH2-OD2 3.09Å; R237-D241 PolarHBondContact NH2-OD2 3.1Å; R237-D241 VanDerWaalsContact NH2-OD2 3.14Å; R237-D241 PolarHBondContact O-N 3.44Å; R237-M288 PolarHBondContact NH2-O 2.78Å; R237-L291 PolarHBondContact NH1-O 3.05Å; R237-L291 PolarHBondContact NH2-O 3.48Å; R237-T301 WeakPolarHBondContact CD-O 3.05Å
238	L	98.3	Very high	97.9	Very high	102 Å²	102	39.1 Å²	39.1	53%	0.534	22%	0.22	S	C	.	.	H	α-helix	trans	-61.7	-49.9	-179.9	179.3	63.9	0	0	0	111.1	T236 Q240 D241 E242 M285	T236-L238 VanDerWaalsContact C-N 3.26Å; T236-L238 PolarHBondContact O-N 3.03Å; L238-Q240 PolarHBondContact O-N 3.21Å; L238-D241 PolarHBondContact O-N 3.34Å; L238-E242 HydrophobicContact CD1-CG 4.24Å; L238-E242 HydrophobicContact CG-CG 4.43Å; L238-E242 WeakPolarHBondContact O-CB 3.22Å; L238-E242 WeakPolarHBondContact O-CG 3.47Å; L238-E242 PolarHBondContact O-N 3.49Å; L238-M285 HydrophobicContact CD1-CE 3.7Å
239	E	98.2	Very high	98	Very high	50 Å²	50	38.4 Å²	38.4	23%	0.234	23%	0.225	C	C	.	.	H	α-helix	trans	-56.1	-37.9	176.9	-74	166.8	119.1	0	0	112	V235 T236 F243 K390	V235-E239 HydrophobicContact CG1-CB 4.31Å; T236-E239 WeakPolarHBondContact CB-OE2 3.48Å; T236-E239 WeakPolarHBondContact CG2-OE2 3.48Å; T236-E239 PolarHBondContact N-OE2 3.45Å; T236-E239 PolarHBondContact O-N 3.2Å; T236-E239 VanDerWaalsContact OG1-CG 3.27Å; T236-E239 WeakPolarHBondContact OG1-CG 3.35Å; T236-E239 PolarHBondContact OG1-N 3.48Å; T236-E239 PolarHBondContact OG1-OE2 3.38Å; E239-F243 WeakPolarHBondContact O-CB 3.44Å; E239-F243 PolarHBondContact O-N 3.37Å; E239-F243 VanDerWaalsContact O-N 3.12Å; E239-K390 VanDerWaalsContact OE1-CE 3.26Å; E239-K390 WeakPolarHBondContact OE1-CE 3.49Å; E239-K390 IonicContact OE1-NZ 3.01Å; E239-K390 PolarHBondContact OE1-NZ 2.46Å; E239-K390 IonicContact OE2-NZ 3.14Å; E239-K390 PolarHBondContact OE2-NZ 3.09Å
240	Q	98.6	Very high	98.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.2	-46	178.6	-66.9	-175.8	57.4	0	0	112.5	V235 T236 R237 L238 E242 F243 A244 T301 N306 A382 G383	V235-Q240 HydrophobicContact CG1-CG 3.7Å; T236-Q240 WeakPolarHBondContact O-CG 3.3Å; T236-Q240 PolarHBondContact O-N 2.84Å; R237-Q240 PolarHBondContact O-N 3.28Å; L238-Q240 PolarHBondContact O-N 3.21Å; Q240-E242 VanDerWaalsContact C-N 3.34Å; Q240-F243 PolarHBondContact O-N 2.98Å; Q240-A244 VanDerWaalsContact O-CB 3.31Å; Q240-A244 WeakPolarHBondContact O-CB 3.48Å; Q240-A244 PolarHBondContact O-N 3.47Å; Q240-T301 PolarHBondContact NE2-OG1 3.2Å; Q240-N306 HydrophobicContact CB-CB 4.17Å; Q240-A382 HydrophobicContact CB-CB 3.95Å; Q240-A382 HydrophobicContact CG-CB 4.39Å; Q240-A382 WeakPolarHBondContact O-CB 3.26Å; Q240-G383 VanDerWaalsContact CD-CA 3.49Å
241	D	98.6	Very high	98.2	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-67.5	-36.9	-179.9	-71.9	-1.9	0	0	0	110.9	R237 L238 A244 L245 M285 M288 N306	R237-D241 IonicContact CZ-OD1 2.86Å; R237-D241 IonicContact CZ-OD2 2.67Å; R237-D241 VanDerWaalsContact NE-CG 3.25Å; R237-D241 IonicContact NE-OD1 3.37Å; R237-D241 PolarHBondContact NE-OD1 2.94Å; R237-D241 IonicContact NE-OD2 2.79Å; R237-D241 PolarHBondContact NE-OD2 3.38Å; R237-D241 IonicContact NH2-OD2 3.09Å; R237-D241 PolarHBondContact NH2-OD2 3.1Å; R237-D241 VanDerWaalsContact NH2-OD2 3.14Å; R237-D241 PolarHBondContact O-N 3.44Å; L238-D241 PolarHBondContact O-N 3.34Å; D241-A244 PolarHBondContact O-N 3.33Å; D241-L245 WeakPolarHBondContact O-CB 3.27Å; D241-L245 PolarHBondContact O-N 2.78Å; D241-M285 HydrophobicContact CB-CE 3.68Å; D241-M285 HydrophobicContact CB-SD 4.33Å; D241-M288 HydrophobicContact CB-CB 4.25Å; D241-M288 HydrophobicContact CB-CE 4Å; D241-M288 VanDerWaalsContact O-CE 3.31Å; D241-M288 WeakPolarHBondContact O-CE 3.27Å; D241-N306 PolarHBondContact OD1-ND2 2.75Å
242	E	98.5	Very high	98.3	Very high	101 Å²	101	41.5 Å²	41.5	47%	0.472	23%	0.228	S	C	.	.	H	α-helix	trans	-62.4	-47.2	174.5	-74.1	177.4	170.6	0	0	112	L238 Q240 A244 L245 R246 M285	L238-E242 HydrophobicContact CD1-CG 4.24Å; L238-E242 HydrophobicContact CG-CG 4.43Å; L238-E242 WeakPolarHBondContact O-CB 3.22Å; L238-E242 WeakPolarHBondContact O-CG 3.47Å; L238-E242 PolarHBondContact O-N 3.49Å; Q240-E242 VanDerWaalsContact C-N 3.34Å; E242-A244 VanDerWaalsContact C-N 3.34Å; E242-A244 PolarHBondContact O-N 3.25Å; E242-L245 PolarHBondContact O-N 3.08Å; E242-R246 WeakPolarHBondContact O-CB 3.24Å; E242-R246 PolarHBondContact O-N 3.41Å; E242-M285 HydrophobicContact CB-CE 4.38Å; E242-M285 HydrophobicContact CG-CE 3.54Å; E242-M285 HydrophobicContact CG-SD 4.11Å
243	F	98.6	Very high	98.4	Very high	9 Å²	9	43.3 Å²	43.3	4%	0.039	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-41.1	177.6	-176.5	-86.9	0	0	0	111.8	E239 Q240 R246 S247 E379 A382 I385 M386 F416	E239-F243 WeakPolarHBondContact O-CB 3.44Å; E239-F243 PolarHBondContact O-N 3.37Å; E239-F243 VanDerWaalsContact O-N 3.12Å; Q240-F243 PolarHBondContact O-N 2.98Å; F243-R246 WeakPolarHBondContact O-CB 3.45Å; F243-R246 PolarHBondContact O-N 2.98Å; F243-S247 PolarHBondContact O-N 3.26Å; F243-E379 HydrophobicContact CE1-CG 4.16Å; F243-E379 HydrophobicContact CZ-CG 4.35Å; F243-E379 WeakPolarHBondContact CZ-OE1 3.3Å; F243-A382 HydrophobicContact CB-CB 4.25Å; F243-A382 HydrophobicContact CD1-CB 3.9Å; F243-A382 HydrophobicContact CG-CB 4.49Å; F243-I385 HydrophobicContact CD2-CG2 4.47Å; F243-I385 HydrophobicContact CE1-CB 4.2Å; F243-I385 HydrophobicContact CE1-CG1 4.14Å; F243-I385 HydrophobicContact CE1-CG2 4.25Å; F243-I385 HydrophobicContact CE2-CG2 3.77Å; F243-I385 HydrophobicContact CZ-CB 4.11Å; F243-I385 HydrophobicContact CZ-CG1 4.16Å; F243-I385 HydrophobicContact CZ-CG2 3.67Å; F243-M386 HydrophobicContact CB-CG 4.39Å; F243-M386 HydrophobicContact CB-SD 4.26Å; F243-M386 HydrophobicContact CD2-SD 3.9Å; F243-M386 HydrophobicContact CG-SD 4.26Å; F243-F416 HydrophobicContact CE2-CD1 4.4Å; F243-F416 HydrophobicContact CE2-CE1 4.28Å; F243-F416 HydrophobicContact CZ-CD1 4.48Å; F243-F416 HydrophobicContact CZ-CE1 4.1Å
244	A	98.6	Very high	98.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.5	-43.8	177.8	0	0	0	0	0	112.3	Q240 D241 E242 R246 S247 H248 M288 A305 N306 A382 L423	Q240-A244 VanDerWaalsContact O-CB 3.31Å; Q240-A244 WeakPolarHBondContact O-CB 3.48Å; Q240-A244 PolarHBondContact O-N 3.47Å; D241-A244 PolarHBondContact O-N 3.33Å; E242-A244 VanDerWaalsContact C-N 3.34Å; E242-A244 PolarHBondContact O-N 3.25Å; A244-R246 VanDerWaalsContact C-N 3.33Å; A244-R246 PolarHBondContact O-N 3.33Å; A244-S247 PolarHBondContact O-N 3.33Å; A244-H248 PolarHBondContact O-CD2 3.28Å; A244-H248 PolarHBondContact O-N 3.4Å; A244-H248 VanDerWaalsContact O-N 3.08Å; A244-M288 HydrophobicContact CB-CE 3.64Å; A244-A305 WeakPolarHBondContact CB-O 3.36Å; A244-N306 HydrophobicContact CB-CB 3.82Å; A244-A382 HydrophobicContact CB-CB 4.3Å; A244-L423 HydrophobicContact CB-CD1 3.95Å; A244-L423 HydrophobicContact CB-CD2 3.77Å
245	L	98.6	Very high	98.5	Very high	38 Å²	38	41.1 Å²	41.1	20%	0.199	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-42.4	174.2	179.3	58	0	0	0	111.5	D241 E242 H248 T249 P282 S283 M285 M288	D241-L245 WeakPolarHBondContact O-CB 3.27Å; D241-L245 PolarHBondContact O-N 2.78Å; E242-L245 PolarHBondContact O-N 3.08Å; L245-H248 PolarHBondContact O-N 3.3Å; L245-T249 VanDerWaalsContact O-CB 3.29Å; L245-T249 WeakPolarHBondContact O-CB 3.49Å; L245-T249 PolarHBondContact O-N 2.82Å; L245-T249 PolarHBondContact O-OG1 3.28Å; L245-P282 HydrophobicContact CD1-CB 4.31Å; L245-S283 WeakPolarHBondContact CD1-O 3.28Å; L245-M285 HydrophobicContact CB-SD 4.15Å; L245-M285 HydrophobicContact CD2-CG 3.73Å; L245-M285 HydrophobicContact CD2-SD 3.71Å; L245-M288 HydrophobicContact CB-SD 4.02Å
246	R	98.6	Very high	98.5	Very high	57 Å²	57	46 Å²	46	22%	0.215	23%	0.225	C	C	.	.	H	α-helix	trans	-56.5	-51.1	174.2	175	-173.1	175.5	-75.3	-3.5	111	E242 F243 A244 H248 T249 L250 L413 F416	E242-R246 WeakPolarHBondContact O-CB 3.24Å; E242-R246 PolarHBondContact O-N 3.41Å; F243-R246 WeakPolarHBondContact O-CB 3.45Å; F243-R246 PolarHBondContact O-N 2.98Å; A244-R246 VanDerWaalsContact C-N 3.33Å; A244-R246 PolarHBondContact O-N 3.33Å; R246-H248 PolarHBondContact O-N 3.45Å; R246-T249 PolarHBondContact O-N 2.89Å; R246-L250 HydrophobicContact CG-CD1 3.66Å; R246-L250 HydrophobicContact CG-CG 4.27Å; R246-L250 WeakPolarHBondContact O-CB 3.43Å; R246-L250 VanDerWaalsContact O-CG 3.26Å; R246-L250 WeakPolarHBondContact O-CG 3.3Å; R246-L250 PolarHBondContact O-N 3.21Å; R246-L413 PolarHBondContact NH2-O 3.09Å; R246-F416 PolarHBondContact NH1-O 3.32Å; R246-F416 PolarHBondContact NH2-O 2.95Å
247	S	98.6	Very high	98.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-47.6	-179.5	-177.1	0	0	0	0	111.7	F243 A244 T249 L250 A251 E379 G421 S424	F243-S247 PolarHBondContact O-N 3.26Å; A244-S247 PolarHBondContact O-N 3.33Å; S247-T249 PolarHBondContact O-N 3.2Å; S247-L250 PolarHBondContact O-N 2.94Å; S247-A251 VanDerWaalsContact O-CB 3.27Å; S247-A251 WeakPolarHBondContact O-CB 3.37Å; S247-A251 PolarHBondContact O-N 3.23Å; S247-E379 WeakPolarHBondContact CB-OE2 3.3Å; S247-E379 PolarHBondContact OG-OE1 3.28Å; S247-E379 PolarHBondContact OG-OE2 2.67Å; S247-G421 PolarHBondContact OG-N 3.29Å; S247-S424 PolarHBondContact O-OG 2.74Å; S247-S424 WeakPolarHBondContact OG-CB 3.21Å; S247-S424 PolarHBondContact OG-OG 3.32Å
248	H	98.8	Very high	98.5	Very high	13 Å²	13	47.9 Å²	47.9	6%	0.06	24%	0.244	C	C	.	.	H	α-helix	trans	-64.3	-39.2	177.4	-80.5	-71.3	0	0	0	113.7	A244 L245 R246 K252 G279 R281 P282 S424	A244-H248 PolarHBondContact O-CD2 3.28Å; A244-H248 PolarHBondContact O-N 3.4Å; A244-H248 VanDerWaalsContact O-N 3.08Å; L245-H248 PolarHBondContact O-N 3.3Å; R246-H248 PolarHBondContact O-N 3.45Å; H248-K252 WeakPolarHBondContact O-CB 3.44Å; H248-K252 PolarHBondContact O-N 2.89Å; H248-G279 PolarHBondContact CE1-O 2.77Å; H248-G279 PolarHBondContact ND1-O 2.64Å; H248-R281 PolarHBondContact ND1-N 2.78Å; H248-P282 HydrophobicContact CB-CB 3.99Å; H248-S424 WeakPolarHBondContact ND1-CB 3.23Å
249	T	98.7	Very high	98.5	Very high	69 Å²	69	44.4 Å²	44.4	42%	0.423	23%	0.226	S	C	.	.	H	α-helix	trans	-68.3	-43.9	179.7	-57.4	0	0	0	0	111.1	L245 R246 S247 K252 K253	L245-T249 VanDerWaalsContact O-CB 3.29Å; L245-T249 WeakPolarHBondContact O-CB 3.49Å; L245-T249 PolarHBondContact O-N 2.82Å; L245-T249 PolarHBondContact O-OG1 3.28Å; R246-T249 PolarHBondContact O-N 2.89Å; S247-T249 PolarHBondContact O-N 3.2Å; T249-K252 PolarHBondContact O-N 3.23Å; T249-K253 WeakPolarHBondContact O-CB 3.31Å; T249-K253 PolarHBondContact O-N 2.9Å
250	L	98.8	Very high	98.5	Very high	38 Å²	38	42.9 Å²	42.9	20%	0.199	22%	0.219	C	C	.	.	H	α-helix	trans	-67.6	-41.2	177.4	-69.7	177.8	0	0	0	112	R246 S247 K252 K253 A254	R246-L250 HydrophobicContact CG-CD1 3.66Å; R246-L250 HydrophobicContact CG-CG 4.27Å; R246-L250 WeakPolarHBondContact O-CB 3.43Å; R246-L250 VanDerWaalsContact O-CG 3.26Å; R246-L250 WeakPolarHBondContact O-CG 3.3Å; R246-L250 PolarHBondContact O-N 3.21Å; S247-L250 PolarHBondContact O-N 2.94Å; L250-K252 VanDerWaalsContact C-N 3.34Å; L250-K252 PolarHBondContact O-N 3.08Å; L250-K253 PolarHBondContact O-N 2.84Å; L250-A254 WeakPolarHBondContact O-CB 3.3Å; L250-A254 PolarHBondContact O-N 3.02Å
251	A	98.8	Very high	98.3	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-45.3	173	0	0	0	0	0	111.7	S247 A254 Q255 I280 S424 L425	S247-A251 VanDerWaalsContact O-CB 3.27Å; S247-A251 WeakPolarHBondContact O-CB 3.37Å; S247-A251 PolarHBondContact O-N 3.23Å; A251-A254 PolarHBondContact O-N 2.93Å; A251-Q255 WeakPolarHBondContact O-CB 3.27Å; A251-Q255 PolarHBondContact O-N 2.83Å; A251-I280 HydrophobicContact CB-CD1 4.01Å; A251-I280 HydrophobicContact CB-CG1 4.09Å; A251-I280 HydrophobicContact CB-CG2 4.24Å; A251-S424 WeakPolarHBondContact CB-OG 3.36Å; A251-L425 HydrophobicContact CB-CD2 3.85Å; A251-L425 HydrophobicContact CB-CG 4.41Å
252	K	98.7	Very high	98.3	Very high	97 Å²	97	46.9 Å²	46.9	42%	0.422	24%	0.238	S	C	.	.	H	α-helix	trans	-61	-48.4	177.2	-172.8	168.1	-179.1	169	0	111.5	H248 T249 L250 A254 Q255 D256 I280 P282	H248-K252 WeakPolarHBondContact O-CB 3.44Å; H248-K252 PolarHBondContact O-N 2.89Å; T249-K252 PolarHBondContact O-N 3.23Å; L250-K252 VanDerWaalsContact C-N 3.34Å; L250-K252 PolarHBondContact O-N 3.08Å; K252-A254 VanDerWaalsContact C-N 3.34Å; K252-A254 PolarHBondContact O-N 2.87Å; K252-Q255 PolarHBondContact O-N 3.23Å; K252-D256 WeakPolarHBondContact O-CB 3.49Å; K252-D256 VanDerWaalsContact O-CG 3.24Å; K252-D256 PolarHBondContact O-N 3.38Å; K252-I280 HydrophobicContact CB-CG2 3.52Å; K252-I280 HydrophobicContact CG-CG2 4.2Å; K252-P282 HydrophobicContact CB-CG 4.42Å; K252-P282 HydrophobicContact CD-CG 3.67Å
253	K	98.7	Very high	98.3	Very high	117 Å²	117	43.1 Å²	43.1	51%	0.509	22%	0.222	S	C	.	.	H	α-helix	trans	-57.7	-46.1	176.1	-176.8	-179.5	175.8	-176.2	0	111.7	T249 L250 D256 Q257	T249-K253 WeakPolarHBondContact O-CB 3.31Å; T249-K253 PolarHBondContact O-N 2.9Å; L250-K253 PolarHBondContact O-N 2.84Å; K253-D256 PolarHBondContact O-N 2.88Å; K253-Q257 VanDerWaalsContact CE-NE2 3.34Å; K253-Q257 VanDerWaalsContact O-CB 3.29Å; K253-Q257 WeakPolarHBondContact O-CB 3.16Å; K253-Q257 WeakPolarHBondContact O-CG 3.5Å; K253-Q257 PolarHBondContact O-N 3.33Å
254	A	98.6	Very high	98.3	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.017	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-39.2	178.7	0	0	0	0	0	112.5	L250 A251 K252 G258 L259 L260 W419	L250-A254 WeakPolarHBondContact O-CB 3.3Å; L250-A254 PolarHBondContact O-N 3.02Å; A251-A254 PolarHBondContact O-N 2.93Å; K252-A254 VanDerWaalsContact C-N 3.34Å; K252-A254 PolarHBondContact O-N 2.87Å; A254-G258 PolarHBondContact O-N 3.21Å; A254-L259 HydrophobicContact CB-CB 4.17Å; A254-L259 HydrophobicContact CB-CD1 4.28Å; A254-L259 WeakPolarHBondContact O-CB 3.21Å; A254-L259 PolarHBondContact O-N 2.98Å; A254-L260 HydrophobicContact CB-CD2 4.22Å; A254-L260 HydrophobicContact CB-CG 4.41Å; A254-W419 HydrophobicContact CB-CB 3.8Å; A254-W419 HydrophobicContact CB-CG 4.1Å
255	Q	98.3	Very high	98.2	Very high	38 Å²	38	47.5 Å²	47.5	18%	0.178	25%	0.252	C	S	.	.	H	α-helix	trans	-65.5	-46.3	174.7	-174.1	177.4	90.4	0	0	111.6	A251 K252 Q257 G258 L260 I280	A251-Q255 WeakPolarHBondContact O-CB 3.27Å; A251-Q255 PolarHBondContact O-N 2.83Å; K252-Q255 PolarHBondContact O-N 3.23Å; Q255-Q257 VanDerWaalsContact C-N 3.27Å; Q255-Q257 PolarHBondContact O-N 3Å; Q255-G258 PolarHBondContact O-N 2.71Å; Q255-L260 HydrophobicContact CB-CD1 3.97Å; Q255-L260 HydrophobicContact CG-CD1 4.48Å; Q255-I280 HydrophobicContact CB-CD1 3.94Å; Q255-I280 HydrophobicContact CG-CD1 4.37Å; Q255-I280 VanDerWaalsContact NE2-CD1 3.31Å
256	D	98.1	Very high	98.2	Very high	107 Å²	107	47 Å²	47	57%	0.572	25%	0.248	S	C	*	.	H	α-helix	trans	-65.3	-31.9	179.6	-69.1	-22.6	0	0	0	112	K252 K253 G258	K252-D256 WeakPolarHBondContact O-CB 3.49Å; K252-D256 VanDerWaalsContact O-CG 3.24Å; K252-D256 PolarHBondContact O-N 3.38Å; K253-D256 PolarHBondContact O-N 2.88Å; D256-G258 VanDerWaalsContact C-N 3.31Å
257	Q	98.1	Very high	98.1	Very high	116 Å²	116	50 Å²	50	54%	0.542	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-2	174.6	-70.2	179.6	-13.5	0	0	113.9	K253 Q255 L259	K253-Q257 VanDerWaalsContact CE-NE2 3.34Å; K253-Q257 VanDerWaalsContact O-CB 3.29Å; K253-Q257 WeakPolarHBondContact O-CB 3.16Å; K253-Q257 WeakPolarHBondContact O-CG 3.5Å; K253-Q257 PolarHBondContact O-N 3.33Å; Q255-Q257 VanDerWaalsContact C-N 3.27Å; Q255-Q257 PolarHBondContact O-N 3Å; Q257-L259 VanDerWaalsContact C-N 3.28Å; Q257-L259 HydrophobicContact CB-CD1 4.28Å; Q257-L259 HydrophobicContact CB-CG 3.88Å; Q257-L259 PolarHBondContact O-N 2.73Å
258	G	97.7	Very high	98	Very high	47 Å²	47	50.2 Å²	50.2	49%	0.485	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	27.4	-178.1	0	0	0	0	0	113.9	A254 Q255 D256	A254-G258 PolarHBondContact O-N 3.21Å; Q255-G258 PolarHBondContact O-N 2.71Å; D256-G258 VanDerWaalsContact C-N 3.31Å
259	L	98.3	Very high	97.8	Very high	30 Å²	30	54 Å²	54	16%	0.157	29%	0.289	C	S	.	.			trans	-77.2	-24.4	180	-60.1	-178.6	0	0	0	113	A254 Q257 E261 W419 K446	A254-L259 HydrophobicContact CB-CB 4.17Å; A254-L259 HydrophobicContact CB-CD1 4.28Å; A254-L259 WeakPolarHBondContact O-CB 3.21Å; A254-L259 PolarHBondContact O-N 2.98Å; Q257-L259 VanDerWaalsContact C-N 3.28Å; Q257-L259 HydrophobicContact CB-CD1 4.28Å; Q257-L259 HydrophobicContact CB-CG 3.88Å; Q257-L259 PolarHBondContact O-N 2.73Å; L259-E261 PolarHBondContact O-N 2.97Å; L259-W419 HydrophobicContact CB-CD2 3.98Å; L259-W419 HydrophobicContact CB-CE3 4.09Å; L259-W419 HydrophobicContact CB-CH2 4.43Å; L259-W419 HydrophobicContact CB-CZ2 4.3Å; L259-W419 HydrophobicContact CB-CZ3 4.31Å; L259-W419 HydrophobicContact CD1-CD2 4.27Å; L259-W419 HydrophobicContact CD1-CG 4.4Å; L259-W419 HydrophobicContact CD1-CZ2 4.24Å; L259-W419 HydrophobicContact CD2-CZ2 4.47Å; L259-W419 WeakPolarHBondContact O-CZ3 3.4Å; L259-K446 HydrophobicContact CD2-CD 3.87Å
260	L	97.9	Very high	97.5	Very high	17 Å²	17	54.9 Å²	54.9	9%	0.089	31%	0.313	C	S	.	.			trans	-76.8	60.8	178.7	-54.4	-177.2	0	0	0	111.5	A254 Q255 D262 V263 W419 L425	A254-L260 HydrophobicContact CB-CD2 4.22Å; A254-L260 HydrophobicContact CB-CG 4.41Å; Q255-L260 HydrophobicContact CB-CD1 3.97Å; Q255-L260 HydrophobicContact CG-CD1 4.48Å; L260-D262 PolarHBondContact O-N 3.34Å; L260-V263 HydrophobicContact CB-CG2 4.12Å; L260-V263 PolarHBondContact O-N 2.67Å; L260-W419 HydrophobicContact CD2-CB 4.34Å; L260-L425 HydrophobicContact CD1-CD2 3.89Å
261	E	95.4	Very high	97.2	Very high	86 Å²	86	57.1 Å²	57.1	40%	0.402	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.9	-177.5	-67.8	-177	-178	0	0	112.9	R89 L259 V263 K446	R89-E261 PolarHBondContact NH1-O 3.48Å; R89-E261 PolarHBondContact NH2-O 3.01Å; L259-E261 PolarHBondContact O-N 2.97Å; E261-V263 PolarHBondContact O-N 3.29Å; E261-K446 VanDerWaalsContact CD-NZ 3.32Å; E261-K446 WeakPolarHBondContact OE1-CE 3.44Å; E261-K446 IonicContact OE1-NZ 2.74Å; E261-K446 PolarHBondContact OE1-NZ 2.82Å
262	D	97.6	Very high	96.9	Very high	3 Å²	3	63.4 Å²	63.4	2%	0.016	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.6	176.6	62.3	-31.7	0	0	0	112.8	V59 R60 L260 R435 T438	V59-D262 CarbonylContact C-O 3.54Å; V59-D262 VanDerWaalsContact CA-O 3.27Å; V59-D262 WeakPolarHBondContact CA-O 3.49Å; R60-D262 VanDerWaalsContact CD-OD2 3.24Å; R60-D262 WeakPolarHBondContact CD-OD2 3.33Å; R60-D262 HydrophobicContact CG-CB 4.34Å; R60-D262 IonicContact CZ-OD2 3.2Å; R60-D262 PolarHBondContact N-O 3.26Å; R60-D262 IonicContact NE-OD1 2.84Å; R60-D262 IonicContact NE-OD2 3.4Å; R60-D262 PolarHBondContact NE-OD2 2.77Å; R60-D262 IonicContact NH2-OD1 3.87Å; L260-D262 PolarHBondContact O-N 3.34Å; D262-R435 WeakPolarHBondContact OD2-CG 3.48Å; D262-T438 HydrophobicContact CB-CG2 3.78Å
263	V	98.6	Very high	96.8	Very high	22 Å²	22	64 Å²	64	13%	0.133	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-72.7	127.7	178.4	-172.2	0	0	0	0	111.6	R60 P62 R89 L260 E261	R60-V263 WeakPolarHBondContact O-CA 3.02Å; P62-V263 HydrophobicContact CB-CG1 4.27Å; P62-V263 HydrophobicContact CG-CG1 3.78Å; R89-V263 PolarHBondContact NH2-O 2.64Å; L260-V263 HydrophobicContact CB-CG2 4.12Å; L260-V263 PolarHBondContact O-N 2.67Å; E261-V263 PolarHBondContact O-N 3.29Å
264	I	98.2	Very high	96.8	Very high	16 Å²	16	59.2 Å²	59.2	8%	0.082	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-94.9	152.5	167.3	70.6	-179.1	0	0	0	110.3	V59 R60 P62 A81	V59-I264 HydrophobicContact CB-CG2 3.8Å; V59-I264 HydrophobicContact CG1-CG2 4.13Å; V59-I264 HydrophobicContact CG2-CG2 4.46Å; R60-I264 WeakPolarHBondContact O-CG1 3.41Å; R60-I264 PolarHBondContact O-N 3.09Å; P62-I264 VanDerWaalsContact CD-O 3.24Å; P62-I264 WeakPolarHBondContact CD-O 3.31Å; A81-I264 VanDerWaalsContact O-CD1 3.29Å; A81-I264 WeakPolarHBondContact O-CD1 2.92Å
265	S	97.5	Very high	96.7	Very high	84 Å²	84	62.1 Å²	62.1	59%	0.587	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-76.8	135.3	165.6	-66.4	0	0	0	0	109.7	V274 S275	S265-V274 WeakPolarHBondContact CA-O 3.47Å; S265-S275 WeakPolarHBondContact OG-CB 3.47Å
266	F	97.8	Very high	96.7	Very high	28 Å²	28	66 Å²	66	12%	0.123	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.3	-179.8	176.8	-139.1	0	0	0	110.8	Y70 L73 L78 A81 V268 V274	Y70-F266 HydrophobicContact CD1-CD1 4.3Å; Y70-F266 HydrophobicContact CD1-CE1 4.1Å; Y70-F266 AromaticContact CE1-CD1 3.49Å; Y70-F266 HydrophobicContact CE1-CD1 3.49Å; Y70-F266 VanDerWaalsContact CE1-CD1 3.49Å; Y70-F266 AromaticContact CE1-CE1 3.75Å; Y70-F266 HydrophobicContact CE1-CE1 3.75Å; Y70-F266 AromaticContact CZ-CD1 3.96Å; L73-F266 HydrophobicContact CD1-CE1 3.76Å; L73-F266 HydrophobicContact CD1-CZ 4Å; L78-F266 HydrophobicContact CD2-CD1 4.36Å; L78-F266 HydrophobicContact CD2-CE1 3.73Å; A81-F266 HydrophobicContact CB-CD1 4.46Å; A81-F266 HydrophobicContact CB-CD2 3.66Å; A81-F266 HydrophobicContact CB-CE1 4.36Å; A81-F266 HydrophobicContact CB-CE2 3.54Å; A81-F266 HydrophobicContact CB-CG 4.16Å; A81-F266 HydrophobicContact CB-CZ 3.92Å; F266-V268 HydrophobicContact CD1-CG2 3.77Å; F266-V268 HydrophobicContact CE1-CG2 3.65Å; F266-V268 HydrophobicContact CZ-CG2 4.34Å; F266-V268 PolarHBondContact O-N 3.14Å; F266-V274 PolarHBondContact N-O 3.31Å; F266-V274 PolarHBondContact O-N 3.23Å
267	K	97.2	Very high	96.7	Very high	120 Å²	120	61.3 Å²	61.3	52%	0.522	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	103.8	171.7	179.6	62.6	175.1	179.6	0	108.9	R271 I273	K267-R271 WeakPolarHBondContact CE-O 3.41Å; K267-R271 PolarHBondContact NZ-O 3.1Å; K267-I273 HydrophobicContact CB-CG1 4.17Å; K267-I273 HydrophobicContact CD-CG1 3.67Å; K267-I273 HydrophobicContact CG-CG1 4.47Å
268	V	96.2	Very high	96.6	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.024	34%	0.341	C	S	.	.			trans	-73.8	129.9	174.4	179.3	0	0	0	0	108.8	T69 Y70 L73 F266 G270 R271 V274	T69-V268 HydrophobicContact CG2-CG2 4.16Å; Y70-V268 HydrophobicContact CD1-CG2 3.64Å; Y70-V268 HydrophobicContact CE1-CG2 3.57Å; L73-V268 HydrophobicContact CD1-CG1 4.32Å; F266-V268 HydrophobicContact CD1-CG2 3.77Å; F266-V268 HydrophobicContact CE1-CG2 3.65Å; F266-V268 HydrophobicContact CZ-CG2 4.34Å; F266-V268 PolarHBondContact O-N 3.14Å; V268-G270 PolarHBondContact O-N 3.2Å; V268-R271 HydrophobicContact CB-CB 4.1Å; V268-R271 HydrophobicContact CG1-CB 4.19Å; V268-R271 HydrophobicContact CG1-CG 4.27Å; V268-R271 PolarHBondContact O-N 3.33Å; V268-R271 VanDerWaalsContact O-O 3.09Å; V268-V274 HydrophobicContact CG2-CG2 4.15Å
269	P	94.5	Very high	96.6	Very high	92 Å²	92	56.4 Å²	56.4	60%	0.597	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	128.3	174	-28.3	35	0	0	0	112	L73 R271	L73-P269 HydrophobicContact CD2-CG 4.46Å; P269-R271 PolarHBondContact O-N 3.35Å
270	G	92.9	Very high	96.5	Very high	89 Å²	89	56.3 Å²	56.3	92%	0.918	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	2.6	-179.7	0	0	0	0	0	116.1	V268	V268-G270 PolarHBondContact O-N 3.2Å
271	R	93.3	Very high	96.4	Very high	84 Å²	84	62 Å²	62	32%	0.317	34%	0.337	S	S	.	.	S	Bend	trans	-131.7	175.2	178.3	-55.5	-165.8	-175.8	-162.6	11.4	112.2	T68 T69 D72 K267 V268 P269	T68-R271 PolarHBondContact O-NH1 3.44Å; T69-R271 HydrophobicContact CG2-CB 4.3Å; T69-R271 WeakPolarHBondContact O-CD 3.35Å; D72-R271 IonicContact OD2-CZ 3.72Å; D72-R271 IonicContact OD2-NE 3.54Å; D72-R271 IonicContact OD2-NH2 3.65Å; D72-R271 PolarHBondContact OD2-NH2 2.88Å; K267-R271 WeakPolarHBondContact CE-O 3.41Å; K267-R271 PolarHBondContact NZ-O 3.1Å; V268-R271 HydrophobicContact CB-CB 4.1Å; V268-R271 HydrophobicContact CG1-CB 4.19Å; V268-R271 HydrophobicContact CG1-CG 4.27Å; V268-R271 PolarHBondContact O-N 3.33Å; V268-R271 VanDerWaalsContact O-O 3.09Å; P269-R271 PolarHBondContact O-N 3.35Å
272	D	91.6	Very high	96.4	Very high	133 Å²	133	60 Å²	60	71%	0.711	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-70.5	165.6	177.6	-69.4	-35.2	0	0	0	113.2	V274	D272-V274 PolarHBondContact O-N 3.36Å
273	I	96.8	Very high	96.2	Very high	108 Å²	108	62.3 Å²	62.3	55%	0.554	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	128.6	174.7	-62.4	175.7	0	0	0	108.5	K267	K267-I273 HydrophobicContact CB-CG1 4.17Å; K267-I273 HydrophobicContact CD-CG1 3.67Å; K267-I273 HydrophobicContact CG-CG1 4.47Å
274	V	97.4	Very high	96.1	Very high	18 Å²	18	63.4 Å²	63.4	11%	0.109	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.9	171.7	-169.6	0	0	0	0	108.8	P62 L64 T69 Y70 S265 F266 V268 D272	P62-V274 HydrophobicContact CB-CG1 3.73Å; P62-V274 HydrophobicContact CG-CB 4.22Å; P62-V274 HydrophobicContact CG-CG1 3.78Å; L64-V274 HydrophobicContact CD1-CG1 3.99Å; L64-V274 HydrophobicContact CD1-CG2 4.35Å; L64-V274 HydrophobicContact CD2-CG1 3.88Å; L64-V274 HydrophobicContact CG-CG1 4.41Å; T69-V274 HydrophobicContact CG2-CG2 3.65Å; Y70-V274 HydrophobicContact CE1-CG2 4.48Å; S265-V274 WeakPolarHBondContact CA-O 3.47Å; F266-V274 PolarHBondContact N-O 3.31Å; F266-V274 PolarHBondContact O-N 3.23Å; V268-V274 HydrophobicContact CG2-CG2 4.15Å; D272-V274 PolarHBondContact O-N 3.36Å
275	S	97.3	Very high	96.1	Very high	63 Å²	63	65.1 Å²	65.1	44%	0.441	37%	0.365	S	S	.	.			trans	-131.1	-0.7	179	58.3	0	0	0	0	113.7	S265	S265-S275 WeakPolarHBondContact OG-CB 3.47Å
276	K	97.8	Very high	96	Very high	119 Å²	119	68 Å²	68	52%	0.517	37%	0.369	S	S	.	.	S	Bend	trans	-134.6	145.7	-176.4	-64.9	-173.4	178.9	-169.1	0	111
277	D	98.3	Very high	96	Very high	8 Å²	8	72.1 Å²	72.1	4%	0.043	39%	0.389	C	S	.	.			trans	-65.8	141.7	168.2	-56.6	-37.9	0	0	0	109.6	R60 P62 F63 I280	R60-D277 IonicContact CZ-OD1 3.13Å; R60-D277 IonicContact CZ-OD2 2.7Å; R60-D277 IonicContact NH1-OD1 2.71Å; R60-D277 PolarHBondContact NH1-OD1 2.78Å; R60-D277 IonicContact NH1-OD2 2.63Å; R60-D277 PolarHBondContact NH1-OD2 3.45Å; R60-D277 IonicContact NH2-OD1 2.76Å; R60-D277 IonicContact NH2-OD2 2.67Å; R60-D277 PolarHBondContact NH2-OD2 3.28Å; P62-D277 WeakPolarHBondContact CA-OD1 3.22Å; F63-D277 PolarHBondContact N-OD1 2.95Å; D277-I280 HydrophobicContact CB-CD1 4.39Å; D277-I280 HydrophobicContact CB-CG1 4.4Å
278	N	96.6	Very high	96	Very high	61 Å²	61	66.6 Å²	66.6	33%	0.326	37%	0.365	S	S	.	.	S	Bend	trans	-103.2	0.2	-178.4	71.7	0.8	0	0	0	113.6	L64 L65 T68 I280	L64-N278 VanDerWaalsContact CA-OD1 3.28Å; L64-N278 WeakPolarHBondContact CA-OD1 3.32Å; L64-N278 HydrophobicContact CD2-CB 4.07Å; L65-N278 PolarHBondContact N-ND2 3.23Å; L65-N278 PolarHBondContact N-OD1 3.36Å; T68-N278 PolarHBondContact OG1-ND2 2.99Å; T68-N278 VanDerWaalsContact OG1-ND2 3.13Å; N278-I280 VanDerWaalsContact C-N 3.35Å
279	G	96.5	Very high	96	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	39%	0.389	C	S	.	.			trans	-77.8	-17.2	176.5	0	0	0	0	0	114.5	H248 R281 S424	H248-G279 PolarHBondContact CE1-O 2.77Å; H248-G279 PolarHBondContact ND1-O 2.64Å; G279-R281 WeakPolarHBondContact O-CG 3.48Å; G279-R281 PolarHBondContact O-N 2.81Å; G279-S424 CarbonylContact C-O 3.07Å; G279-S424 WeakPolarHBondContact CA-O 3.35Å
280	I	97.6	Very high	96.1	Very high	27 Å²	27	73 Å²	73	14%	0.138	40%	0.395	C	S	.	.			trans	-76.4	93.3	-172.1	-54.2	-178.1	0	0	0	110.5	A251 K252 Q255 D277 N278 S424 L425	A251-I280 HydrophobicContact CB-CD1 4.01Å; A251-I280 HydrophobicContact CB-CG1 4.09Å; A251-I280 HydrophobicContact CB-CG2 4.24Å; K252-I280 HydrophobicContact CB-CG2 3.52Å; K252-I280 HydrophobicContact CG-CG2 4.2Å; Q255-I280 HydrophobicContact CB-CD1 3.94Å; Q255-I280 HydrophobicContact CG-CD1 4.37Å; Q255-I280 VanDerWaalsContact NE2-CD1 3.31Å; D277-I280 HydrophobicContact CB-CD1 4.39Å; D277-I280 HydrophobicContact CB-CG1 4.4Å; N278-I280 VanDerWaalsContact C-N 3.35Å; I280-S424 PolarHBondContact N-O 2.8Å; I280-L425 HydrophobicContact CD1-CD2 3.85Å; I280-L425 HydrophobicContact CG1-CD2 4.17Å
281	R	95.6	Very high	96.3	Very high	136 Å²	136	72.4 Å²	72.4	51%	0.513	37%	0.37	S	S	.	.			trans	-136.8	71.8	-177.1	62	-162	176.9	176.4	-3.3	112.5	H248 G279 S283	H248-R281 PolarHBondContact ND1-N 2.78Å; G279-R281 WeakPolarHBondContact O-CG 3.48Å; G279-R281 PolarHBondContact O-N 2.81Å; R281-S283 PolarHBondContact O-N 2.9Å
282	P	94.5	Very high	96.5	Very high	46 Å²	46	77.1 Å²	77.1	30%	0.299	39%	0.393	S	S	.	.			trans	-60.6	137.6	174.9	26.2	-32.9	0	0	0	110.5	L245 H248 K252	L245-P282 HydrophobicContact CD1-CB 4.31Å; H248-P282 HydrophobicContact CB-CB 3.99Å; K252-P282 HydrophobicContact CB-CG 4.42Å; K252-P282 HydrophobicContact CD-CG 3.67Å
283	S	94.1	Very high	96.8	Very high	51 Å²	51	71.8 Å²	71.8	36%	0.357	37%	0.366	S	S	.	.			trans	-117.7	-164.7	179	-177.8	0	0	0	0	109.4	L245 R281 Q287	L245-S283 WeakPolarHBondContact CD1-O 3.28Å; R281-S283 PolarHBondContact O-N 2.9Å; S283-Q287 VanDerWaalsContact OG-CB 3.26Å; S283-Q287 WeakPolarHBondContact OG-CB 3.4Å; S283-Q287 PolarHBondContact OG-OE1 3.49Å
284	S	96.8	Very high	96.8	Very high	44 Å²	44	68.4 Å²	68.4	31%	0.308	35%	0.354	S	S	.	.			trans	-104.6	152.6	169.5	72.1	0	0	0	0	110.9	E286 Q287 M288	S284-E286 PolarHBondContact O-N 3.22Å; S284-Q287 PolarHBondContact O-N 2.7Å; S284-Q287 WeakPolarHBondContact OG-CG 3.25Å; S284-Q287 PolarHBondContact OG-N 3.03Å; S284-M288 WeakPolarHBondContact O-CG 3.23Å; S284-M288 PolarHBondContact O-N 2.98Å
285	M	97.8	Very high	96.7	Very high	53 Å²	53	70.3 Å²	70.3	26%	0.261	36%	0.361	S	S	.	.	H	α-helix	trans	-54.7	-37.2	174.8	-72.1	-56.6	-62.8	0	0	112	L238 D241 E242 L245 M288 A289	L238-M285 HydrophobicContact CD1-CE 3.7Å; D241-M285 HydrophobicContact CB-CE 3.68Å; D241-M285 HydrophobicContact CB-SD 4.33Å; E242-M285 HydrophobicContact CB-CE 4.38Å; E242-M285 HydrophobicContact CG-CE 3.54Å; E242-M285 HydrophobicContact CG-SD 4.11Å; L245-M285 HydrophobicContact CB-SD 4.15Å; L245-M285 HydrophobicContact CD2-CG 3.73Å; L245-M285 HydrophobicContact CD2-SD 3.71Å; M285-M288 PolarHBondContact O-N 2.98Å; M285-A289 VanDerWaalsContact O-CB 3.27Å; M285-A289 WeakPolarHBondContact O-CB 3.49Å; M285-A289 PolarHBondContact O-N 3.19Å
286	E	96.4	Very high	96.6	Very high	144 Å²	144	69 Å²	69	67%	0.673	35%	0.35	S	S	*	.	H	α-helix	trans	-63.6	-39.7	176	-62.9	177.7	-173.4	0	0	113.1	S284 K290	S284-E286 PolarHBondContact O-N 3.22Å; E286-K290 VanDerWaalsContact O-CG 3.31Å; E286-K290 WeakPolarHBondContact O-CG 3.46Å; E286-K290 PolarHBondContact O-N 2.85Å
287	Q	97.1	Very high	96.5	Very high	114 Å²	114	70.2 Å²	70.2	53%	0.533	36%	0.355	S	S	.	.	H	α-helix	trans	-71.6	-42.6	177.5	-78	-179.3	-18.5	0	0	111.1	S283 S284 K290	S283-Q287 VanDerWaalsContact OG-CB 3.26Å; S283-Q287 WeakPolarHBondContact OG-CB 3.4Å; S283-Q287 PolarHBondContact OG-OE1 3.49Å; S284-Q287 PolarHBondContact O-N 2.7Å; S284-Q287 WeakPolarHBondContact OG-CG 3.25Å; S284-Q287 PolarHBondContact OG-N 3.03Å; Q287-K290 PolarHBondContact O-N 3.29Å
288	M	97.2	Very high	96.3	Very high	5 Å²	5	75.2 Å²	75.2	3%	0.025	39%	0.389	C	S	.	.	H	α-helix	trans	-62	-45.1	177.2	-66.9	176.5	70.2	0	0	110.7	R237 D241 A244 L245 S284 M285 K290 L291 A305	R237-M288 PolarHBondContact NH2-O 2.78Å; D241-M288 HydrophobicContact CB-CB 4.25Å; D241-M288 HydrophobicContact CB-CE 4Å; D241-M288 VanDerWaalsContact O-CE 3.31Å; D241-M288 WeakPolarHBondContact O-CE 3.27Å; A244-M288 HydrophobicContact CB-CE 3.64Å; L245-M288 HydrophobicContact CB-SD 4.02Å; S284-M288 WeakPolarHBondContact O-CG 3.23Å; S284-M288 PolarHBondContact O-N 2.98Å; M285-M288 PolarHBondContact O-N 2.98Å; M288-K290 PolarHBondContact O-N 3.41Å; M288-L291 VanDerWaalsContact O-CB 3.31Å; M288-L291 WeakPolarHBondContact O-CB 3.19Å; M288-L291 PolarHBondContact O-N 2.9Å; M288-A305 HydrophobicContact CE-CB 3.94Å; M288-A305 HydrophobicContact CG-CB 4.15Å
289	A	94.8	Very high	96.3	Very high	65 Å²	65	79.3 Å²	79.3	54%	0.537	41%	0.405	S	S	.	.	H	α-helix	trans	-60.2	-29.6	178.8	0	0	0	0	0	113.7	M285 L291	M285-A289 VanDerWaalsContact O-CB 3.27Å; M285-A289 WeakPolarHBondContact O-CB 3.49Å; M285-A289 PolarHBondContact O-N 3.19Å; A289-L291 PolarHBondContact O-N 3.34Å
290	K	97.1	Very high	96.3	Very high	165 Å²	165	79.7 Å²	79.7	72%	0.717	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-15.6	176.4	-71.5	169	-171.8	176.4	0	113.5	E286 Q287 M288	E286-K290 VanDerWaalsContact O-CG 3.31Å; E286-K290 WeakPolarHBondContact O-CG 3.46Å; E286-K290 PolarHBondContact O-N 2.85Å; Q287-K290 PolarHBondContact O-N 3.29Å; M288-K290 PolarHBondContact O-N 3.41Å
291	L	97.4	Very high	96.3	Very high	76 Å²	76	79.7 Å²	79.7	40%	0.398	41%	0.41	S	S	.	.	S	Bend	trans	-72.7	136.3	-179.1	-65	174.3	0	0	0	111.8	R237 M288 A289 T303 A305	R237-L291 PolarHBondContact NH1-O 3.05Å; R237-L291 PolarHBondContact NH2-O 3.48Å; M288-L291 VanDerWaalsContact O-CB 3.31Å; M288-L291 WeakPolarHBondContact O-CB 3.19Å; M288-L291 PolarHBondContact O-N 2.9Å; A289-L291 PolarHBondContact O-N 3.34Å; L291-T303 HydrophobicContact CB-CG2 4.4Å; L291-A305 HydrophobicContact CD1-CB 3.36Å
292	K	98	Very high	96.4	Very high	183 Å²	183	73.2 Å²	73.2	80%	0.796	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-71.2	151.3	174	-63.8	-178.3	-179.2	179.4	0	110.6
293	P	98.1	Very high	96.6	Very high	21 Å²	21	71 Å²	71	14%	0.136	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-56.3	138.5	171.5	-26.8	38.3	0	0	0	112	V296 K297 G300 V302	P293-V296 WeakPolarHBondContact CB-O 3.22Å; P293-K297 HydrophobicContact CB-CG 4.47Å; P293-K297 WeakPolarHBondContact O-CE 3.23Å; P293-G300 WeakPolarHBondContact CG-O 3.42Å; P293-V302 WeakPolarHBondContact CA-O 3.31Å
294	A	96.6	Very high	96.7	Very high	37 Å²	37	71.9 Å²	71.9	31%	0.306	38%	0.382	S	S	.	.	S	Bend	trans	-87.6	-37.8	-175.2	0	0	0	0	0	112.3	K297 V302	A294-K297 WeakPolarHBondContact O-CE 3.39Å; A294-V302 PolarHBondContact N-O 3.19Å
295	F	94.8	Very high	96.8	Very high	58 Å²	58	70.9 Å²	70.9	25%	0.254	38%	0.376	S	S	.	.	S	Bend	trans	-107.2	-74.8	-171.5	-56.9	-79.1	0	0	0	111.4	G223 H224 K297 V302 F381	G223-F295 VanDerWaalsContact C-CG 3.42Å; H224-F295 PolarHBondContact NE2-O 3.03Å; F295-K297 PolarHBondContact O-N 2.87Å; F295-V302 HydrophobicContact CD2-CB 4.1Å; F295-V302 HydrophobicContact CD2-CG1 3.56Å; F295-V302 HydrophobicContact CE2-CG1 3.66Å; F295-F381 AromaticContact CE2-CE1 3.76Å; F295-F381 HydrophobicContact CE2-CE1 3.76Å; F295-F381 AromaticContact CZ-CE1 4Å; F295-F381 HydrophobicContact CZ-CE1 4Å; F295-F381 HydrophobicContact CZ-CZ 4.41Å
296	V	96	Very high	96.8	Very high	35 Å²	35	68.3 Å²	68.3	21%	0.212	36%	0.364	C	S	.	.	S	Bend	trans	-82.3	117.7	177.8	-179.7	0	0	0	0	109.5	D227 P293 H299 G300	D227-V296 HydrophobicContact CB-CB 4.39Å; D227-V296 HydrophobicContact CB-CG2 3.84Å; P293-V296 WeakPolarHBondContact CB-O 3.22Å; V296-H299 WeakPolarHBondContact CG1-NE2 3.21Å; V296-G300 WeakPolarHBondContact O-CA 3.24Å; V296-G300 PolarHBondContact O-N 2.86Å
297	K	95.3	Very high	96.9	Very high	145 Å²	145	61.8 Å²	61.8	63%	0.63	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	143.3	-176.5	-67.4	173.9	-176.4	167.6	0	111.1	P293 A294 F295	P293-K297 HydrophobicContact CB-CG 4.47Å; P293-K297 WeakPolarHBondContact O-CE 3.23Å; A294-K297 WeakPolarHBondContact O-CE 3.39Å; F295-K297 PolarHBondContact O-N 2.87Å
298	P	94.8	Very high	96.9	Very high	114 Å²	114	57.6 Å²	57.6	74%	0.74	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	cis	-88.9	-2	-2.6	35.6	-37	0	0	0	114.7
299	H	95.2	Very high	96.8	Very high	147 Å²	147	58.7 Å²	58.7	68%	0.681	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	8	-166.1	52.4	-91.3	0	0	0	114.5	V296	V296-H299 WeakPolarHBondContact CG1-NE2 3.21Å
300	G	96.7	Very high	96.9	Very high	8 Å²	8	60 Å²	60	8%	0.082	32%	0.32	C	S	.	.			trans	-66.9	157.1	177.3	0	0	0	0	0	113.1	D227 P293 V296	D227-G300 WeakPolarHBondContact OD1-CA 3.24Å; D227-G300 WeakPolarHBondContact OD2-CA 3.4Å; P293-G300 WeakPolarHBondContact CG-O 3.42Å; V296-G300 WeakPolarHBondContact O-CA 3.24Å; V296-G300 PolarHBondContact O-N 2.86Å
301	T	97.9	Very high	96.9	Very high	26 Å²	26	52.2 Å²	52.2	16%	0.16	29%	0.286	C	S	.	.	S	Bend	trans	-100.9	-19.1	179.2	61	0	0	0	0	112.4	D227 R237 Q240 N306	D227-T301 VanDerWaalsContact CG-N 3.29Å; D227-T301 PolarHBondContact OD1-N 2.73Å; D227-T301 PolarHBondContact OD1-OG1 3.41Å; D227-T301 PolarHBondContact OD2-N 2.75Å; R237-T301 WeakPolarHBondContact CD-O 3.05Å; Q240-T301 PolarHBondContact NE2-OG1 3.2Å; T301-N306 PolarHBondContact O-ND2 3.35Å
302	V	98.3	Very high	97	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.267	C	S	.	.			trans	-90.1	130.9	-177.6	179.1	0	0	0	0	110.4	A226 D227 P293 A294 F295 N306 S307 F381	A226-V302 HydrophobicContact CB-CG2 4.37Å; D227-V302 HydrophobicContact CB-CB 4.09Å; D227-V302 HydrophobicContact CB-CG2 3.74Å; D227-V302 PolarHBondContact OD2-N 2.87Å; P293-V302 WeakPolarHBondContact CA-O 3.31Å; A294-V302 PolarHBondContact N-O 3.19Å; F295-V302 HydrophobicContact CD2-CB 4.1Å; F295-V302 HydrophobicContact CD2-CG1 3.56Å; F295-V302 HydrophobicContact CE2-CG1 3.66Å; V302-N306 WeakPolarHBondContact CA-OD1 3.41Å; V302-S307 VanDerWaalsContact CG1-OG 3.23Å; V302-S307 WeakPolarHBondContact CG1-OG 3.3Å; V302-F381 HydrophobicContact CG1-CD1 3.74Å; V302-F381 HydrophobicContact CG1-CE1 4.18Å
303	T	98.3	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.229	C	C	.	.			trans	-126.8	169.1	179.5	70.9	0	0	0	0	111.7	L291 A305 N306 S307	L291-T303 HydrophobicContact CB-CG2 4.4Å; T303-A305 PolarHBondContact O-N 2.76Å; T303-A305 PolarHBondContact OG1-N 3.34Å; T303-N306 PolarHBondContact N-ND2 3.17Å; T303-N306 PolarHBondContact N-OD1 2.72Å; T303-N306 PolarHBondContact O-N 2.73Å; T303-N306 PolarHBondContact O-OD1 2.78Å; T303-N306 VanDerWaalsContact O-OD1 3.1Å; T303-N306 PolarHBondContact OG1-N 2.69Å; T303-N306 PolarHBondContact OG1-ND2 3.01Å; T303-S307 WeakPolarHBondContact O-CB 3.44Å; T303-S307 PolarHBondContact O-N 3.26Å; T303-S307 PolarHBondContact O-OG 2.73Å
304	A	96.9	Very high	97.1	Very high	69 Å²	69	38.9 Å²	38.9	57%	0.57	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.9	174.9	0	0	0	0	0	113.6
305	A	97.4	Very high	97.2	Very high	23 Å²	23	37.1 Å²	37.1	19%	0.19	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-21.6	-179.1	0	0	0	0	0	113.6	A244 M288 L291 T303	A244-A305 WeakPolarHBondContact CB-O 3.36Å; M288-A305 HydrophobicContact CE-CB 3.94Å; M288-A305 HydrophobicContact CG-CB 4.15Å; L291-A305 HydrophobicContact CD1-CB 3.36Å; T303-A305 PolarHBondContact O-N 2.76Å; T303-A305 PolarHBondContact OG1-N 3.34Å
306	N	98.2	Very high	97.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-106.7	17.7	177.5	70.5	30.5	0	0	0	113.1	Q240 D241 A244 T301 V302 T303 A382	Q240-N306 HydrophobicContact CB-CB 4.17Å; D241-N306 PolarHBondContact OD1-ND2 2.75Å; A244-N306 HydrophobicContact CB-CB 3.82Å; T301-N306 PolarHBondContact O-ND2 3.35Å; V302-N306 WeakPolarHBondContact CA-OD1 3.41Å; T303-N306 PolarHBondContact N-ND2 3.17Å; T303-N306 PolarHBondContact N-OD1 2.72Å; T303-N306 PolarHBondContact O-N 2.73Å; T303-N306 PolarHBondContact O-OD1 2.78Å; T303-N306 VanDerWaalsContact O-OD1 3.1Å; T303-N306 PolarHBondContact OG1-N 2.69Å; T303-N306 PolarHBondContact OG1-ND2 3.01Å; N306-A382 HydrophobicContact CB-CB 4.01Å; N306-A382 WeakPolarHBondContact O-CB 3.49Å; N306-A382 PolarHBondContact O-N 3.26Å
307	S	97.9	Very high	97.5	Very high	7 Å²	7	32.7 Å²	32.7	5%	0.049	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-116.6	151	175.7	-58.5	0	0	0	0	110.7	V302 T303 F381	V302-S307 VanDerWaalsContact CG1-OG 3.23Å; V302-S307 WeakPolarHBondContact CG1-OG 3.3Å; T303-S307 WeakPolarHBondContact O-CB 3.44Å; T303-S307 PolarHBondContact O-N 3.26Å; T303-S307 PolarHBondContact O-OG 2.73Å; S307-F381 WeakPolarHBondContact OG-CD1 3.39Å; S307-F381 WeakPolarHBondContact OG-CE1 3.5Å
308	S	97.2	Very high	97.7	Very high	26 Å²	26	25.8 Å²	25.8	18%	0.182	16%	0.156	C	C	.	.			trans	-64.8	165.2	158.9	63.9	0	0	0	0	110.8	A380	S308-A380 VanDerWaalsContact CB-O 3.26Å; S308-A380 WeakPolarHBondContact CB-O 3.28Å; S308-A380 PolarHBondContact N-O 3.33Å; S308-A380 PolarHBondContact OG-O 2.87Å
309	F	96.5	Very high	97.9	Very high	27 Å²	27	20.4 Å²	20.4	12%	0.118	12%	0.121	C	C	.	.			trans	-124.4	160.4	-175.9	54.3	-86.5	0	0	0	110.9	L65 T311 G426	L65-F309 HydrophobicContact CB-CD2 3.95Å; L65-F309 HydrophobicContact CB-CE2 3.96Å; L65-F309 HydrophobicContact CD1-CD2 3.86Å; L65-F309 HydrophobicContact CD1-CE2 4.42Å; L65-F309 HydrophobicContact CD1-CG 4.31Å; L65-F309 HydrophobicContact CG-CD2 3.86Å; L65-F309 HydrophobicContact CG-CE2 4.37Å; F309-T311 WeakPolarHBondContact CD2-OG1 3.21Å; F309-T311 HydrophobicContact CE2-CG2 4.23Å; F309-T311 VanDerWaalsContact CE2-OG1 3.3Å; F309-T311 WeakPolarHBondContact CE2-OG1 3.27Å; F309-T311 PolarHBondContact O-N 2.62Å; F309-T311 PolarHBondContact O-OG1 2.86Å; F309-G426 VanDerWaalsContact CZ-CA 3.48Å
310	L	96.2	Very high	98	Very high	94 Å²	94	13.4 Å²	13.4	49%	0.492	9%	0.088	S	C	.	.			trans	-60.4	124.4	175.7	-51.3	-174.8	0	0	0	108.9	L65 S66 M167	L65-L310 WeakPolarHBondContact CA-O 3.42Å; S66-L310 PolarHBondContact N-O 2.94Å; S66-L310 PolarHBondContact OG-O 3.33Å; M167-L310 HydrophobicContact CB-CB 4.39Å; M167-L310 HydrophobicContact CE-CB 4.05Å; M167-L310 HydrophobicContact CE-CD1 4.2Å; M167-L310 HydrophobicContact CE-CD2 3.21Å; M167-L310 HydrophobicContact CE-CG 3.96Å; M167-L310 HydrophobicContact SD-CB 3.65Å; M167-L310 HydrophobicContact SD-CD2 3.8Å; M167-L310 HydrophobicContact SD-CG 4.21Å
311	T	98.1	Very high	98.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	133.9	-170.5	-46.7	0	0	0	0	110.4	F63 L64 S66 F309 G426 H427 P428	F63-T311 HydrophobicContact CB-CG2 3.83Å; F63-T311 HydrophobicContact CG-CG2 4.42Å; L64-T311 CarbonylContact O-C 3.51Å; L64-T311 VanDerWaalsContact O-CA 3.29Å; L64-T311 WeakPolarHBondContact O-CA 3.44Å; L64-T311 VanDerWaalsContact O-CG2 3.25Å; L64-T311 WeakPolarHBondContact O-CG2 3.2Å; S66-T311 VanDerWaalsContact OG-C 3.22Å; S66-T311 WeakPolarHBondContact OG-CA 3.28Å; S66-T311 PolarHBondContact OG-N 3.41Å; S66-T311 VanDerWaalsContact OG-N 3.08Å; F309-T311 WeakPolarHBondContact CD2-OG1 3.21Å; F309-T311 HydrophobicContact CE2-CG2 4.23Å; F309-T311 VanDerWaalsContact CE2-OG1 3.3Å; F309-T311 WeakPolarHBondContact CE2-OG1 3.27Å; F309-T311 PolarHBondContact O-N 2.62Å; F309-T311 PolarHBondContact O-OG1 2.86Å; T311-G426 VanDerWaalsContact OG1-CA 3.3Å; T311-G426 WeakPolarHBondContact OG1-CA 3.38Å; T311-H427 PolarHBondContact OG1-N 3.31Å; T311-P428 HydrophobicContact CG2-CG 3.75Å; T311-P428 WeakPolarHBondContact O-CA 3.26Å
312	D	98.5	Very high	98.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.4	169.8	-58.1	-22.3	0	0	0	109.7	L64 S66 Y70 L78 F166 M167 S168	L64-D312 PolarHBondContact N-O 2.88Å; L64-D312 PolarHBondContact O-N 3.15Å; S66-D312 WeakPolarHBondContact CA-OD2 3.16Å; S66-D312 WeakPolarHBondContact CB-OD1 3.36Å; S66-D312 PolarHBondContact OG-N 3.19Å; S66-D312 PolarHBondContact OG-OD1 3.18Å; Y70-D312 HydrophobicContact CD2-CB 3.72Å; L78-D312 HydrophobicContact CD1-CB 4.18Å; F166-D312 HydrophobicContact CD2-CB 3.97Å; F166-D312 HydrophobicContact CE2-CB 4.35Å; M167-D312 PolarHBondContact N-OD1 3.03Å; S168-D312 WeakPolarHBondContact CB-OD2 3.35Å; S168-D312 PolarHBondContact N-OD1 3.45Å; S168-D312 PolarHBondContact OG-OD2 3.3Å
313	G	98.6	Very high	98.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.8	161.1	177.1	0	0	0	0	0	114	T61 V164 E165	T61-G313 WeakPolarHBondContact OG1-CA 3.42Å; V164-G313 WeakPolarHBondContact CA-O 3.16Å; E165-G313 PolarHBondContact N-O 3.09Å; E165-G313 PolarHBondContact O-N 3Å
314	A	98.9	Very high	98.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.5	177.4	0	0	0	0	0	111.7	R60 T61 L78 A82 G163 V164	R60-A314 CarbonylContact C-O 3.38Å; R60-A314 WeakPolarHBondContact CA-O 3.45Å; R60-A314 VanDerWaalsContact CB-O 3.3Å; R60-A314 WeakPolarHBondContact CB-O 3.4Å; T61-A314 HydrophobicContact CG2-CB 4.24Å; T61-A314 PolarHBondContact N-O 2.89Å; T61-A314 PolarHBondContact OG1-N 3.26Å; T61-A314 PolarHBondContact OG1-O 3.42Å; L78-A314 VanDerWaalsContact C-CB 3.44Å; L78-A314 HydrophobicContact CB-CB 3.98Å; L78-A314 VanDerWaalsContact O-CB 3.22Å; L78-A314 WeakPolarHBondContact O-CB 3.41Å; A82-A314 HydrophobicContact CB-CB 3.74Å; G163-A314 CarbonylContact O-C 3.56Å; G163-A314 VanDerWaalsContact O-CA 3.24Å; G163-A314 WeakPolarHBondContact O-CA 3.33Å; V164-A314 HydrophobicContact CB-CB 3.93Å; V164-A314 HydrophobicContact CG2-CB 3.78Å
315	S	98.9	Very high	98.2	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.007	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	152	177.6	58.7	0	0	0	0	110.8	V59 Y102 G162 G163 A431 C434	V59-S315 CarbonylContact O-C 3.52Å; V59-S315 VanDerWaalsContact O-CA 3.31Å; V59-S315 WeakPolarHBondContact O-CA 3.44Å; Y102-S315 PolarHBondContact OH-O 2.85Å; Y102-S315 VanDerWaalsContact OH-O 3.08Å; G162-S315 CarbonylContact C-O 3.24Å; G162-S315 WeakPolarHBondContact CA-O 3.49Å; G163-S315 PolarHBondContact N-O 2.83Å; G163-S315 PolarHBondContact O-N 3.46Å; S315-A431 WeakPolarHBondContact CB-O 3.32Å; S315-A431 WeakPolarHBondContact OG-CA 3.47Å; S315-A431 PolarHBondContact OG-O 2.83Å; S315-C434 WeakPolarHBondContact OG-CB 3.38Å
316	A	98.9	Very high	98.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	139	-179.1	0	0	0	0	0	109.4	G58 V59 A82 L83 L86 Y102 A161	G58-A316 CarbonylContact C-O 3.55Å; G58-A316 WeakPolarHBondContact CA-O 3.38Å; V59-A316 HydrophobicContact CG2-CB 3.87Å; V59-A316 PolarHBondContact N-O 2.85Å; V59-A316 PolarHBondContact O-N 3.45Å; V59-A316 VanDerWaalsContact O-O 3.12Å; A82-A316 HydrophobicContact CB-CB 4.19Å; L83-A316 HydrophobicContact CD2-CB 4.41Å; L86-A316 HydrophobicContact CB-CB 4Å; L86-A316 HydrophobicContact CD2-CB 3.86Å; L86-A316 HydrophobicContact CG-CB 4.43Å; Y102-A316 WeakPolarHBondContact OH-CB 3.03Å; A161-A316 CarbonylContact O-C 3.56Å; A161-A316 WeakPolarHBondContact O-CA 3.31Å
317	V	98.9	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	140	175.7	-64.1	0	0	0	0	110	L55 E57 M144 V160 A161 I319 C434	L55-V317 HydrophobicContact CD1-CB 3.69Å; L55-V317 HydrophobicContact CD1-CG1 3.96Å; E57-V317 CarbonylContact O-C 3.52Å; E57-V317 WeakPolarHBondContact O-CA 3.28Å; M144-V317 HydrophobicContact CG-CG2 3.81Å; M144-V317 HydrophobicContact SD-CG2 3.98Å; V160-V317 WeakPolarHBondContact CA-O 3.27Å; A161-V317 HydrophobicContact CB-CG2 3.79Å; A161-V317 PolarHBondContact N-O 3Å; A161-V317 WeakPolarHBondContact O-CG2 3.44Å; A161-V317 PolarHBondContact O-N 3.48Å; V317-I319 HydrophobicContact CG2-CD1 3.89Å; V317-I319 HydrophobicContact CG2-CG1 3.98Å; V317-C434 HydrophobicContact CG1-CB 3.89Å
318	L	98.9	Very high	98.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	114.6	171.5	177.6	60.7	0	0	0	108.8	V56 E57 L86 T90 I92 V158 V160 M320 F330	V56-L318 HydrophobicContact CB-CB 4.28Å; V56-L318 HydrophobicContact CB-CD2 3.91Å; V56-L318 HydrophobicContact CB-CG 3.99Å; V56-L318 HydrophobicContact CG1-CD2 3.79Å; V56-L318 HydrophobicContact CG1-CG 4.43Å; V56-L318 HydrophobicContact CG2-CG 4.48Å; V56-L318 PolarHBondContact N-O 3.13Å; E57-L318 PolarHBondContact O-N 3.47Å; L86-L318 HydrophobicContact CD1-CB 4.24Å; L86-L318 HydrophobicContact CD2-CB 4.19Å; T90-L318 HydrophobicContact CG2-CD2 3.95Å; I92-L318 HydrophobicContact CB-CD2 4.39Å; I92-L318 HydrophobicContact CD1-CD1 3.57Å; I92-L318 HydrophobicContact CD1-CD2 3.78Å; I92-L318 HydrophobicContact CD1-CG 4.33Å; V158-L318 HydrophobicContact CG1-CD1 3.94Å; V160-L318 HydrophobicContact CG2-CD1 4.2Å; L318-M320 HydrophobicContact CD1-CG 4.12Å; L318-M320 HydrophobicContact CD1-SD 4.24Å; L318-M320 HydrophobicContact CD2-SD 4.03Å; L318-M320 HydrophobicContact CG-CG 4.19Å; L318-M320 HydrophobicContact CG-SD 4.07Å; L318-F330 HydrophobicContact CD2-CE2 4.5Å; L318-F330 HydrophobicContact CD2-CZ 4.3Å
319	I	98.9	Very high	98.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.8	179.8	-57.8	174.9	0	0	0	108.3	I53 V54 M144 A147 V148 I151 I159 A161 V317 L336	I53-I319 HydrophobicContact CG2-CG2 3.42Å; I53-I319 VanDerWaalsContact CG2-CG2 3.42Å; V54-I319 WeakPolarHBondContact O-CA 3.32Å; M144-I319 HydrophobicContact CB-CD1 4Å; M144-I319 HydrophobicContact CG-CD1 3.94Å; A147-I319 HydrophobicContact CB-CD1 4.25Å; V148-I319 HydrophobicContact CG2-CG2 4.45Å; I151-I319 HydrophobicContact CD1-CB 4.46Å; I151-I319 HydrophobicContact CD1-CG2 3.77Å; I159-I319 PolarHBondContact N-O 2.75Å; I159-I319 PolarHBondContact O-N 3.47Å; A161-I319 HydrophobicContact CB-CD1 4.01Å; V317-I319 HydrophobicContact CG2-CD1 3.89Å; V317-I319 HydrophobicContact CG2-CG1 3.98Å; I319-L336 HydrophobicContact CD1-CD1 3.73Å; I319-L336 HydrophobicContact CG1-CD1 3.98Å; I319-L336 HydrophobicContact CG2-CD1 3.8Å
320	M	98.8	Very high	98.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	158	-177.2	-63.6	175.1	72.7	0	0	110.9	I53 V54 V56 D157 V158 L318 K324 A325 M328 F330	I53-M320 WeakPolarHBondContact CA-O 3.24Å; V54-M320 PolarHBondContact N-O 3.01Å; V54-M320 PolarHBondContact O-N 3.22Å; V56-M320 HydrophobicContact CG2-CB 4.19Å; V56-M320 HydrophobicContact CG2-CG 4.05Å; V56-M320 HydrophobicContact CG2-SD 3.65Å; D157-M320 CarbonylContact O-C 3.5Å; D157-M320 WeakPolarHBondContact O-CA 3.34Å; V158-M320 HydrophobicContact CB-CG 4.37Å; V158-M320 HydrophobicContact CG1-CE 4.27Å; V158-M320 HydrophobicContact CG1-CG 3.99Å; V158-M320 HydrophobicContact CG1-SD 4.33Å; V158-M320 HydrophobicContact CG2-CE 3.62Å; V158-M320 HydrophobicContact CG2-CG 4.28Å; L318-M320 HydrophobicContact CD1-CG 4.12Å; L318-M320 HydrophobicContact CD1-SD 4.24Å; L318-M320 HydrophobicContact CD2-SD 4.03Å; L318-M320 HydrophobicContact CG-CG 4.19Å; L318-M320 HydrophobicContact CG-SD 4.07Å; M320-K324 HydrophobicContact CE-CB 4.26Å; M320-K324 HydrophobicContact CE-CG 3.72Å; M320-A325 HydrophobicContact CB-CB 4.06Å; M320-A325 HydrophobicContact CE-CB 4.41Å; M320-A325 HydrophobicContact SD-CB 4.28Å; M320-M328 HydrophobicContact CE-CB 4.5Å; M320-M328 HydrophobicContact CE-CG 4.31Å; M320-M328 HydrophobicContact CE-SD 3.34Å; M320-M328 WeakPolarHBondContact CE-SD 2.98Å; M320-F330 HydrophobicContact CE-CD2 4.14Å; M320-F330 HydrophobicContact CE-CE2 4.28Å; M320-F330 HydrophobicContact SD-CD2 3.88Å; M320-F330 HydrophobicContact SD-CE2 4.06Å
321	S	98.5	Very high	98.4	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	142.6	158.3	63.1	0	0	0	0	109.1	D157 E323 K324 A325	D157-S321 PolarHBondContact O-N 2.76Å; D157-S321 PolarHBondContact OD1-OG 2.63Å; S321-E323 VanDerWaalsContact C-N 3.31Å; S321-E323 PolarHBondContact O-N 2.74Å; S321-K324 PolarHBondContact O-N 2.95Å; S321-K324 WeakPolarHBondContact OG-CB 3.45Å; S321-A325 PolarHBondContact O-N 3.2Å
322	E	98.4	Very high	98.4	Very high	37 Å²	37	36.2 Å²	36.2	17%	0.173	20%	0.195	C	C	.	.	H	α-helix	trans	-56.9	-46.7	-177.6	-178.5	-176.2	-164.9	0	0	111.5	N52 V54 K324 A325 L326 Y335 Y471	N52-E322 HydrophobicContact CB-CB 3.75Å; N52-E322 HydrophobicContact CB-CG 4.48Å; N52-E322 WeakPolarHBondContact CB-OE2 3.07Å; N52-E322 PolarHBondContact ND2-OE2 3.35Å; N52-E322 PolarHBondContact O-N 2.79Å; V54-E322 HydrophobicContact CG1-CB 4Å; V54-E322 HydrophobicContact CG1-CG 4.21Å; E322-K324 VanDerWaalsContact C-N 3.31Å; E322-K324 PolarHBondContact O-N 2.85Å; E322-A325 PolarHBondContact O-N 3.37Å; E322-L326 HydrophobicContact CG-CD1 4.01Å; E322-L326 HydrophobicContact CG-CG 4.42Å; E322-L326 WeakPolarHBondContact O-CG 3.4Å; E322-L326 PolarHBondContact O-N 3.18Å; E322-Y335 HydrophobicContact CG-CE1 4.4Å; E322-Y335 PolarHBondContact OE1-OH 3.18Å; E322-Y471 HydrophobicContact CG-CE2 4.38Å; E322-Y471 PolarHBondContact OE1-OH 2.77Å
323	E	97.6	Very high	98.4	Very high	143 Å²	143	37.7 Å²	37.7	67%	0.668	20%	0.202	S	C	*	.	H	α-helix	trans	-54.8	-46.9	177.3	-177.7	-176.1	176.5	0	0	111.6	S321 L326 S327	S321-E323 VanDerWaalsContact C-N 3.31Å; S321-E323 PolarHBondContact O-N 2.74Å; E323-L326 PolarHBondContact O-N 2.74Å; E323-S327 WeakPolarHBondContact O-CB 3.45Å; E323-S327 PolarHBondContact O-N 3.09Å; E323-S327 PolarHBondContact O-OG 2.63Å
324	K	98.3	Very high	98.4	Very high	78 Å²	78	37.7 Å²	37.7	34%	0.339	20%	0.202	S	C	.	.	H	α-helix	trans	-67.2	-44	179.9	-171.3	65.5	174.1	-178.5	0	111.4	D157 V158 M320 S321 E322 L326 S327 M328	D157-K324 HydrophobicContact CB-CB 3.97Å; D157-K324 HydrophobicContact CB-CD 4.45Å; D157-K324 HydrophobicContact CB-CG 3.94Å; V158-K324 HydrophobicContact CG2-CG 3.65Å; M320-K324 HydrophobicContact CE-CB 4.26Å; M320-K324 HydrophobicContact CE-CG 3.72Å; S321-K324 PolarHBondContact O-N 2.95Å; S321-K324 WeakPolarHBondContact OG-CB 3.45Å; E322-K324 VanDerWaalsContact C-N 3.31Å; E322-K324 PolarHBondContact O-N 2.85Å; K324-L326 VanDerWaalsContact C-N 3.33Å; K324-L326 PolarHBondContact O-N 3.2Å; K324-S327 WeakPolarHBondContact CA-OG 3.35Å; K324-S327 PolarHBondContact O-N 3.04Å; K324-S327 PolarHBondContact O-OG 2.98Å; K324-M328 HydrophobicContact CD-CG 4.45Å; K324-M328 HydrophobicContact CD-SD 4.25Å; K324-M328 HydrophobicContact CG-SD 4.08Å; K324-M328 WeakPolarHBondContact O-CB 3.24Å; K324-M328 WeakPolarHBondContact O-CG 3.48Å; K324-M328 PolarHBondContact O-N 3.21Å
325	A	98.5	Very high	98.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.4	-47.9	177	0	0	0	0	0	111.5	V54 V56 M320 S321 E322 M328 G329 F330 P332	V54-A325 HydrophobicContact CG2-CB 3.77Å; V56-A325 HydrophobicContact CG2-CB 3.95Å; M320-A325 HydrophobicContact CB-CB 4.06Å; M320-A325 HydrophobicContact CE-CB 4.41Å; M320-A325 HydrophobicContact SD-CB 4.28Å; S321-A325 PolarHBondContact O-N 3.2Å; E322-A325 PolarHBondContact O-N 3.37Å; A325-M328 PolarHBondContact O-N 3.28Å; A325-G329 PolarHBondContact O-N 3.04Å; A325-F330 HydrophobicContact CB-CB 4.4Å; A325-F330 WeakPolarHBondContact O-CB 3.4Å; A325-F330 PolarHBondContact O-N 3.31Å; A325-P332 HydrophobicContact CB-CG 4.15Å
326	L	98.3	Very high	98.3	Very high	89 Å²	89	39.2 Å²	39.2	47%	0.466	21%	0.208	S	C	.	.	H	α-helix	trans	-66.2	-42.6	178.1	-67.3	177.3	0	0	0	112.3	E322 E323 K324 M328 G329	E322-L326 HydrophobicContact CG-CD1 4.01Å; E322-L326 HydrophobicContact CG-CG 4.42Å; E322-L326 WeakPolarHBondContact O-CG 3.4Å; E322-L326 PolarHBondContact O-N 3.18Å; E323-L326 PolarHBondContact O-N 2.74Å; K324-L326 VanDerWaalsContact C-N 3.33Å; K324-L326 PolarHBondContact O-N 3.2Å; L326-M328 PolarHBondContact O-N 3.04Å; L326-G329 PolarHBondContact O-N 3.08Å
327	S	98.3	Very high	98.3	Very high	85 Å²	85	40.5 Å²	40.5	59%	0.594	21%	0.213	S	C	*	.	H	α-helix	trans	-62	-27.4	177.1	76.5	0	0	0	0	113.2	E323 K324 G329	E323-S327 WeakPolarHBondContact O-CB 3.45Å; E323-S327 PolarHBondContact O-N 3.09Å; E323-S327 PolarHBondContact O-OG 2.63Å; K324-S327 WeakPolarHBondContact CA-OG 3.35Å; K324-S327 PolarHBondContact O-N 3.04Å; K324-S327 PolarHBondContact O-OG 2.98Å; S327-G329 VanDerWaalsContact C-N 3.33Å
328	M	98.2	Very high	98.2	Very high	58 Å²	58	41 Å²	41	29%	0.286	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	3	176.6	-68.6	-176	70.3	0	0	113	I92 P93 A96 V158 M320 K324 A325 L326 F330	I92-M328 HydrophobicContact CG1-CE 4.26Å; P93-M328 HydrophobicContact CG-CE 4.46Å; A96-M328 HydrophobicContact CB-CE 3.86Å; V158-M328 HydrophobicContact CG2-SD 4.46Å; M320-M328 HydrophobicContact CE-CB 4.5Å; M320-M328 HydrophobicContact CE-CG 4.31Å; M320-M328 HydrophobicContact CE-SD 3.34Å; M320-M328 WeakPolarHBondContact CE-SD 2.98Å; K324-M328 HydrophobicContact CD-CG 4.45Å; K324-M328 HydrophobicContact CD-SD 4.25Å; K324-M328 HydrophobicContact CG-SD 4.08Å; K324-M328 WeakPolarHBondContact O-CB 3.24Å; K324-M328 WeakPolarHBondContact O-CG 3.48Å; K324-M328 PolarHBondContact O-N 3.21Å; A325-M328 PolarHBondContact O-N 3.28Å; L326-M328 PolarHBondContact O-N 3.04Å; M328-F330 VanDerWaalsContact C-N 3.31Å; M328-F330 HydrophobicContact CB-CD2 3.76Å; M328-F330 HydrophobicContact CB-CE2 3.95Å; M328-F330 HydrophobicContact CE-CE2 4.09Å; M328-F330 PolarHBondContact O-N 2.98Å; M328-F330 HydrophobicContact SD-CE2 4.48Å
329	G	97.8	Very high	98.2	Very high	64 Å²	64	43.8 Å²	43.8	66%	0.66	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	13.5	178.5	0	0	0	0	0	114.6	A325 L326 S327	A325-G329 PolarHBondContact O-N 3.04Å; L326-G329 PolarHBondContact O-N 3.08Å; S327-G329 VanDerWaalsContact C-N 3.33Å
330	F	98.3	Very high	98.2	Very high	36 Å²	36	44.6 Å²	44.6	16%	0.158	23%	0.233	C	C	.	.			trans	-74	150.6	174.5	-72.5	-66.7	0	0	0	111.5	V56 T90 I92 L318 M320 A325 M328 P332	V56-F330 HydrophobicContact CG1-CB 3.83Å; V56-F330 HydrophobicContact CG1-CD1 3.52Å; V56-F330 HydrophobicContact CG1-CD2 4.29Å; V56-F330 HydrophobicContact CG1-CE1 4.13Å; V56-F330 HydrophobicContact CG1-CG 3.62Å; V56-F330 HydrophobicContact CG2-CB 4.4Å; T90-F330 WeakPolarHBondContact O-CE1 3.41Å; I92-F330 HydrophobicContact CB-CZ 4.09Å; I92-F330 HydrophobicContact CG1-CZ 4.36Å; L318-F330 HydrophobicContact CD2-CE2 4.5Å; L318-F330 HydrophobicContact CD2-CZ 4.3Å; M320-F330 HydrophobicContact CE-CD2 4.14Å; M320-F330 HydrophobicContact CE-CE2 4.28Å; M320-F330 HydrophobicContact SD-CD2 3.88Å; M320-F330 HydrophobicContact SD-CE2 4.06Å; A325-F330 HydrophobicContact CB-CB 4.4Å; A325-F330 WeakPolarHBondContact O-CB 3.4Å; A325-F330 PolarHBondContact O-N 3.31Å; M328-F330 VanDerWaalsContact C-N 3.31Å; M328-F330 HydrophobicContact CB-CD2 3.76Å; M328-F330 HydrophobicContact CB-CE2 3.95Å; M328-F330 HydrophobicContact CE-CE2 4.09Å; M328-F330 PolarHBondContact O-N 2.98Å; M328-F330 HydrophobicContact SD-CE2 4.48Å; F330-P332 WeakPolarHBondContact O-CD 3.46Å
331	K	97.1	Very high	98.2	Very high	166 Å²	166	47.5 Å²	47.5	72%	0.722	24%	0.244	S	C	*	.			trans	-106.4	100.1	168.3	-66.6	-172	178.9	-169.5	0	108.7
332	P	98.2	Very high	98.1	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.013	25%	0.246	C	C	.	.			trans	-61.2	151.1	-177.5	-20.8	31.8	0	0	0	113	V54 A325 F330 Y471	V54-P332 HydrophobicContact CB-CB 3.73Å; V54-P332 HydrophobicContact CB-CG 4.19Å; V54-P332 HydrophobicContact CG1-CB 4.1Å; V54-P332 HydrophobicContact CG1-CG 4.35Å; V54-P332 HydrophobicContact CG2-CB 3.85Å; V54-P332 HydrophobicContact CG2-CG 3.84Å; A325-P332 HydrophobicContact CB-CG 4.15Å; F330-P332 WeakPolarHBondContact O-CD 3.46Å; P332-Y471 HydrophobicContact CB-CD1 4.14Å; P332-Y471 HydrophobicContact CB-CD2 3.75Å; P332-Y471 HydrophobicContact CB-CE1 4.28Å; P332-Y471 HydrophobicContact CB-CE2 3.87Å; P332-Y471 HydrophobicContact CB-CG 3.89Å; P332-Y471 HydrophobicContact CG-CD1 4.4Å; P332-Y471 HydrophobicContact CG-CD2 4.22Å; P332-Y471 HydrophobicContact CG-CE1 4.05Å; P332-Y471 HydrophobicContact CG-CE2 3.82Å; P332-Y471 HydrophobicContact CG-CG 4.5Å; P332-Y471 WeakPolarHBondContact O-CB 3.39Å; P332-Y471 WeakPolarHBondContact O-CD1 3.24Å
333	K	97.9	Very high	98.1	Very high	31 Å²	31	49.8 Å²	49.8	14%	0.135	26%	0.264	C	S	.	.	S	Bend	trans	-90.4	-35.8	179.2	-70.2	-170.8	175.9	-166.1	0	112.7	L55 V56 E57 A441 H442	L55-K333 PolarHBondContact O-N 3.38Å; V56-K333 WeakPolarHBondContact O-CG 3.25Å; E57-K333 VanDerWaalsContact CD-CE 3.43Å; E57-K333 WeakPolarHBondContact OE1-CE 3.48Å; E57-K333 IonicContact OE1-NZ 2.73Å; E57-K333 PolarHBondContact OE1-NZ 3.19Å; E57-K333 WeakPolarHBondContact OE2-CE 3.45Å; E57-K333 IonicContact OE2-NZ 2.69Å; E57-K333 PolarHBondContact OE2-NZ 2.82Å; K333-A441 HydrophobicContact CB-CB 4.34Å; K333-H442 PolarHBondContact NZ-NE2 3.23Å
334	A	98.3	Very high	97.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	160	179.9	0	0	0	0	0	111.4	V54 L55 A441 I468 E469	V54-A334 CarbonylContact C-O 3.59Å; V54-A334 VanDerWaalsContact CA-O 3.31Å; V54-A334 WeakPolarHBondContact CA-O 3.45Å; L55-A334 PolarHBondContact N-O 3.01Å; L55-A334 PolarHBondContact O-N 2.94Å; A334-A441 HydrophobicContact CB-CB 3.74Å; A334-I468 HydrophobicContact CB-CG2 3.53Å; A334-E469 CarbonylContact C-O 3.57Å; A334-E469 WeakPolarHBondContact CA-O 3.37Å; A334-E469 WeakPolarHBondContact CB-O 3.32Å
335	Y	98.6	Very high	97.4	Very high	23 Å²	23	44 Å²	44	9%	0.09	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	137.7	162.8	-62.5	-84.7	0	0	0	110.7	N52 V54 E322 R337 E469 Y471	N52-Y335 HydrophobicContact CB-CD1 4.15Å; N52-Y335 HydrophobicContact CB-CE1 3.99Å; V54-Y335 HydrophobicContact CG1-CD1 3.54Å; V54-Y335 HydrophobicContact CG1-CE1 3.77Å; V54-Y335 HydrophobicContact CG1-CG 4.32Å; E322-Y335 HydrophobicContact CG-CE1 4.4Å; E322-Y335 PolarHBondContact OE1-OH 3.18Å; Y335-R337 VanDerWaalsContact CG-NH2 3.34Å; Y335-E469 HydrophobicContact CD2-CB 4.45Å; Y335-E469 HydrophobicContact CD2-CG 4.25Å; Y335-E469 PolarHBondContact N-O 3.11Å; Y335-E469 PolarHBondContact O-N 3.06Å; Y335-Y471 HydrophobicContact CD1-CD2 4.36Å; Y335-Y471 HydrophobicContact CD1-CE2 4.5Å; Y335-Y471 AromaticContact CD2-CD2 3.84Å; Y335-Y471 HydrophobicContact CD2-CD2 3.84Å; Y335-Y471 AromaticContact CE1-CD2 3.91Å; Y335-Y471 HydrophobicContact CE1-CD2 3.91Å; Y335-Y471 AromaticContact CE1-CE2 3.7Å; Y335-Y471 HydrophobicContact CE1-CE2 3.7Å; Y335-Y471 AromaticContact CE2-CD2 3.32Å; Y335-Y471 HydrophobicContact CE2-CD2 3.32Å; Y335-Y471 AromaticContact CE2-CE2 3.77Å; Y335-Y471 HydrophobicContact CE2-CE2 3.77Å; Y335-Y471 HydrophobicContact CE2-CG 4.18Å; Y335-Y471 HydrophobicContact CG-CD2 4.33Å; Y335-Y471 AromaticContact CZ-CD2 3.36Å; Y335-Y471 AromaticContact CZ-CE2 3.27Å; Y335-Y471 WeakPolarHBondContact OH-CE2 3.27Å
336	L	98.4	Very high	96.8	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.052	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	111.8	167.2	-57.8	-177.6	0	0	0	107.8	I53 L55 V148 I319 V437 M466 I468	I53-L336 HydrophobicContact CG2-CD1 4.45Å; I53-L336 PolarHBondContact O-N 2.92Å; L55-L336 HydrophobicContact CB-CD2 4.22Å; L55-L336 HydrophobicContact CB-CG 4.47Å; V148-L336 HydrophobicContact CG2-CB 4.24Å; V148-L336 HydrophobicContact CG2-CD1 3.64Å; I319-L336 HydrophobicContact CD1-CD1 3.73Å; I319-L336 HydrophobicContact CG1-CD1 3.98Å; I319-L336 HydrophobicContact CG2-CD1 3.8Å; L336-V437 HydrophobicContact CD2-CG1 3.96Å; L336-M466 HydrophobicContact CD2-CE 4.48Å; L336-M466 HydrophobicContact CD2-SD 4.45Å; L336-I468 HydrophobicContact CD2-CD1 3.65Å
337	R	97.3	Very high	96.1	Very high	26 Å²	26	47.3 Å²	47.3	10%	0.098	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	-150	-176.4	-61.8	-62.4	-172.3	-160	-1.6	110.4	L45 N52 Y335 V467 E469	L45-R337 HydrophobicContact CB-CG 4.09Å; L45-R337 HydrophobicContact CD1-CB 4.31Å; L45-R337 HydrophobicContact CD1-CG 4.1Å; N52-R337 PolarHBondContact OD1-NH1 3.48Å; Y335-R337 VanDerWaalsContact CG-NH2 3.34Å; R337-V467 WeakPolarHBondContact CA-O 3.2Å; R337-V467 HydrophobicContact CB-CB 4.19Å; R337-V467 HydrophobicContact CB-CG1 4.15Å; R337-V467 WeakPolarHBondContact CB-O 3.34Å; R337-V467 PolarHBondContact N-O 3.22Å; R337-E469 HydrophobicContact CG-CB 3.76Å; R337-E469 IonicContact CZ-OE2 3.06Å; R337-E469 IonicContact NE-OE2 3.98Å; R337-E469 PolarHBondContact NE-OE2 2.97Å; R337-E469 IonicContact NH2-OE2 3.13Å; R337-E469 PolarHBondContact NH2-OE2 3.3Å
338	D	97.4	Very high	95.4	Very high	12 Å²	12	47.7 Å²	47.7	6%	0.064	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	141.1	-178	-88	-66	0	0	0	112.5	R47 V361 R364 A365 M466 V467	R47-D338 IonicContact CZ-OD1 3.69Å; R47-D338 IonicContact CZ-OD2 2.72Å; R47-D338 VanDerWaalsContact CZ-OD2 3.26Å; R47-D338 IonicContact NE-OD1 3.48Å; R47-D338 IonicContact NE-OD2 3.36Å; R47-D338 PolarHBondContact NE-OD2 2.88Å; R47-D338 IonicContact NH1-OD1 2.85Å; R47-D338 PolarHBondContact NH1-OD1 2.81Å; R47-D338 IonicContact NH2-OD1 2.78Å; R47-D338 PolarHBondContact NH2-OD1 3.49Å; R47-D338 IonicContact NH2-OD2 3.47Å; R47-D338 PolarHBondContact NH2-OD2 3.32Å; D338-V361 HydrophobicContact CB-CG2 4Å; D338-V361 WeakPolarHBondContact O-CG2 3.29Å; D338-R364 IonicContact OD1-CZ 3.89Å; D338-R364 IonicContact OD1-NE 3.74Å; D338-R364 PolarHBondContact OD1-NE 3.44Å; D338-R364 IonicContact OD1-NH2 2.76Å; D338-R364 PolarHBondContact OD1-NH2 3.41Å; D338-A365 HydrophobicContact CB-CB 4.22Å; D338-A365 WeakPolarHBondContact OD2-CA 3.48Å; D338-M466 CarbonylContact O-C 3.59Å; D338-M466 WeakPolarHBondContact O-CA 3.16Å; D338-V467 PolarHBondContact O-N 3.02Å
339	F	98.5	Very high	94.8	Very high	58 Å²	58	46.3 Å²	46.3	25%	0.254	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	159.5	171.7	66.9	-93.1	0	0	0	110.4	T145 V148 Y341 A465 M466	T145-F339 HydrophobicContact CG2-CB 4.4Å; T145-F339 HydrophobicContact CG2-CD1 4.05Å; T145-F339 HydrophobicContact CG2-CD2 3.39Å; T145-F339 HydrophobicContact CG2-CE1 4.15Å; T145-F339 HydrophobicContact CG2-CE2 3.51Å; T145-F339 HydrophobicContact CG2-CG 3.68Å; T145-F339 HydrophobicContact CG2-CZ 3.89Å; V148-F339 HydrophobicContact CB-CE1 4.45Å; V148-F339 HydrophobicContact CG1-CE1 3.87Å; F339-Y341 HydrophobicContact CD2-CD2 4.32Å; F339-Y341 AromaticContact CD2-CE2 3.97Å; F339-Y341 HydrophobicContact CD2-CE2 3.97Å; F339-Y341 HydrophobicContact CE2-CD2 4.4Å; F339-Y341 HydrophobicContact CE2-CE2 4.01Å; F339-A465 CarbonylContact C-O 3.48Å; F339-A465 WeakPolarHBondContact CA-O 3.45Å; F339-M466 HydrophobicContact CB-CB 3.67Å; F339-M466 HydrophobicContact CB-CG 3.86Å; F339-M466 HydrophobicContact CB-SD 4.17Å
340	V	98.7	Very high	94.5	Very high	17 Å²	17	43.4 Å²	43.4	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.8	175.4	-58.4	0	0	0	0	110.7	A357 K360 V361 H464 A465	V340-A357 HydrophobicContact CG2-CB 4.05Å; V340-A357 WeakPolarHBondContact CG2-O 3.46Å; V340-K360 HydrophobicContact CG1-CB 4.3Å; V340-K360 HydrophobicContact CG2-CB 4.24Å; V340-V361 HydrophobicContact CG1-CB 4.05Å; V340-V361 HydrophobicContact CG1-CG2 4.3Å; V340-V361 HydrophobicContact CG2-CB 3.86Å; V340-H464 WeakPolarHBondContact O-CA 3.31Å; V340-H464 PolarHBondContact O-ND1 2.95Å; V340-A465 HydrophobicContact CG2-CB 4.39Å; V340-A465 PolarHBondContact N-O 3.38Å; V340-A465 PolarHBondContact O-N 2.79Å; V340-A465 VanDerWaalsContact O-N 3.14Å
341	Y	98.8	Very high	94.4	Very high	61 Å²	61	41.7 Å²	41.7	24%	0.239	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.7	163.5	-69.3	-81.6	0	0	0	109.1	M135 I138 N141 Q142 T145 F339 G463 H464	M135-Y341 HydrophobicContact CE-CD1 3.68Å; M135-Y341 HydrophobicContact CE-CE1 4.26Å; M135-Y341 HydrophobicContact CE-CG 4.23Å; M135-Y341 HydrophobicContact SD-CD1 3.8Å; M135-Y341 HydrophobicContact SD-CE1 3.74Å; I138-Y341 HydrophobicContact CD1-CD1 3.91Å; I138-Y341 HydrophobicContact CD1-CE1 3.97Å; N141-Y341 PolarHBondContact O-OH 3.42Å; N141-Y341 VanDerWaalsContact O-OH 3.05Å; Q142-Y341 WeakPolarHBondContact CA-OH 3.4Å; Q142-Y341 PolarHBondContact N-OH 3Å; T145-Y341 HydrophobicContact CG2-CE2 3.76Å; T145-Y341 WeakPolarHBondContact CG2-OH 3.24Å; T145-Y341 WeakPolarHBondContact OG1-CE2 3.4Å; T145-Y341 PolarHBondContact OG1-OH 3.29Å; F339-Y341 HydrophobicContact CD2-CD2 4.32Å; F339-Y341 AromaticContact CD2-CE2 3.97Å; F339-Y341 HydrophobicContact CD2-CE2 3.97Å; F339-Y341 HydrophobicContact CE2-CD2 4.4Å; F339-Y341 HydrophobicContact CE2-CE2 4.01Å; Y341-G463 WeakPolarHBondContact CA-O 3.27Å; Y341-H464 HydrophobicContact CD1-CB 3.85Å; Y341-H464 AromaticContact CD1-ND1 3.67Å; Y341-H464 HydrophobicContact CE1-CB 3.72Å; Y341-H464 AromaticContact CE1-CG 3.66Å; Y341-H464 AromaticContact CE1-ND1 3.26Å; Y341-H464 VanDerWaalsContact CE1-ND1 3.26Å; Y341-H464 WeakPolarHBondContact CE1-ND1 3.11Å; Y341-H464 AromaticContact CE2-ND1 3.8Å; Y341-H464 AromaticContact CZ-CE1 3.77Å; Y341-H464 AromaticContact CZ-ND1 3.31Å; Y341-H464 VanDerWaalsContact CZ-ND1 3.31Å
342	V	98.4	Very high	94.4	Very high	10 Å²	10	33.8 Å²	33.8	6%	0.061	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	159.2	177.7	-59.3	0	0	0	0	110	A357 K360 Q462 G463	V342-A357 HydrophobicContact CG1-CB 4.24Å; V342-A357 HydrophobicContact CG2-CB 3.82Å; V342-K360 HydrophobicContact CG1-CD 3.77Å; V342-Q462 CarbonylContact O-C 3.48Å; V342-Q462 WeakPolarHBondContact O-CA 3.45Å; V342-G463 PolarHBondContact N-O 3.2Å; V342-G463 PolarHBondContact O-N 3.14Å
343	S	96.8	Very high	94.4	Very high	76 Å²	76	33.7 Å²	33.7	53%	0.531	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	145.1	173.5	-160.4	0	0	0	0	109.4	G461	S343-G461 CarbonylContact C-O 3.57Å; S343-G461 WeakPolarHBondContact CA-O 3.37Å; S343-G461 PolarHBondContact OG-O 2.82Å
344	Q	91.8	Very high	94.4	Very high	28 Å²	28	32.2 Å²	32.2	13%	0.131	16%	0.162	C	C	.	.			trans	-125.2	173.9	179.1	-48.9	-44.4	-43.4	0	0	109.4	P346 Q349 Y356 G461	Q344-P346 VanDerWaalsContact O-CD 3.23Å; Q344-P346 WeakPolarHBondContact O-CD 3.39Å; Q344-Q349 HydrophobicContact CB-CB 4.14Å; Q344-Y356 HydrophobicContact CG-CD2 3.82Å; Q344-Y356 HydrophobicContact CG-CE2 4Å; Q344-Y356 HydrophobicContact CG-CG 4.26Å; Q344-Y356 VanDerWaalsContact OE1-CD1 3.27Å; Q344-Y356 VanDerWaalsContact OE1-CZ 3.29Å; Q344-G461 PolarHBondContact N-O 3.18Å
345	D	89.3	Confident	94.4	Very high	73 Å²	73	32.2 Å²	32.2	39%	0.39	16%	0.162	S	C	.	.			trans	-63.8	117.8	167.1	171.6	34.3	0	0	0	110.3	K347 D348 Q349 L350	D345-K347 PolarHBondContact O-N 3.45Å; D345-K347 WeakPolarHBondContact OD1-CB 3.47Å; D345-K347 PolarHBondContact OD1-N 2.73Å; D345-K347 WeakPolarHBondContact OD2-CB 3.49Å; D345-D348 PolarHBondContact OD2-N 2.92Å; D345-Q349 CarbonylContact O-C 3.49Å; D345-Q349 PolarHBondContact O-N 2.8Å; D345-Q349 VanDerWaalsContact O-N 3.08Å; D345-L350 PolarHBondContact O-N 2.88Å
346	P	86.6	Confident	94.4	Very high	29 Å²	29	32 Å²	32	19%	0.188	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.5	177.1	-20.2	33.5	0	0	0	112.8	E215 T218 Q344 L350	E215-P346 HydrophobicContact CG-CB 4.32Å; T218-P346 HydrophobicContact CG2-CB 4.21Å; Q344-P346 VanDerWaalsContact O-CD 3.23Å; Q344-P346 WeakPolarHBondContact O-CD 3.39Å; P346-L350 WeakPolarHBondContact O-CB 3.37Å
347	K	82.7	Confident	94.4	Very high	129 Å²	129	31.5 Å²	31.5	56%	0.561	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-54.7	-178.3	-165.8	-178.3	-179.3	-176.9	0	111.5	T218 R228 D345	T218-K347 HydrophobicContact CG2-CB 4.12Å; T218-K347 HydrophobicContact CG2-CG 4.43Å; R228-K347 PolarHBondContact NH1-O 2.9Å; R228-K347 PolarHBondContact NH2-O 3.46Å; D345-K347 PolarHBondContact O-N 3.45Å; D345-K347 WeakPolarHBondContact OD1-CB 3.47Å; D345-K347 PolarHBondContact OD1-N 2.73Å; D345-K347 WeakPolarHBondContact OD2-CB 3.49Å
348	D	85	Confident	94.5	Very high	92 Å²	92	30.2 Å²	30.2	49%	0.492	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-15.6	-172.2	-65.1	-29.8	0	0	0	114.3	R228 D345	R228-D348 IonicContact CZ-OD1 4Å; R228-D348 IonicContact NH1-OD1 4Å; R228-D348 PolarHBondContact NH1-OD1 3.49Å; D345-D348 PolarHBondContact OD2-N 2.92Å
349	Q	86.1	Confident	94.5	Very high	29 Å²	29	29.9 Å²	29.9	14%	0.136	15%	0.152	C	C	.	.			trans	-133.3	15.3	-166.2	-62.9	-177.4	-23	0	0	114.2	Q344 D345 L351 L352 Y356	Q344-Q349 HydrophobicContact CB-CB 4.14Å; D345-Q349 CarbonylContact O-C 3.49Å; D345-Q349 PolarHBondContact O-N 2.8Å; D345-Q349 VanDerWaalsContact O-N 3.08Å; Q349-L351 PolarHBondContact O-N 2.81Å; Q349-L352 HydrophobicContact CB-CD1 4.13Å; Q349-L352 HydrophobicContact CG-CD1 4.18Å; Q349-L352 WeakPolarHBondContact O-CB 3.3Å; Q349-L352 PolarHBondContact O-N 2.97Å; Q349-Y356 PolarHBondContact OE1-OH 2.72Å; Q349-Y356 VanDerWaalsContact OE1-OH 3.06Å
350	L	90.1	Very high	94.5	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-56.5	-33.7	-168	90.2	165.1	0	0	0	114.6	M222 D345 P346	M222-L350 HydrophobicContact CE-CD1 3.85Å; M222-L350 HydrophobicContact SD-CD1 3.74Å; D345-L350 PolarHBondContact O-N 2.88Å; P346-L350 WeakPolarHBondContact O-CB 3.37Å
351	L	95.8	Very high	94.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-92.4	4.3	-173.9	-74.5	177.3	0	0	0	113.1	M222 A226 L229 Q349 G353 Q384 N388 C457	M222-L351 HydrophobicContact CE-CD2 3.58Å; M222-L351 HydrophobicContact CE-CG 4.42Å; A226-L351 HydrophobicContact CB-CD1 3.68Å; L229-L351 HydrophobicContact CD2-CB 3.58Å; Q349-L351 PolarHBondContact O-N 2.81Å; L351-G353 VanDerWaalsContact C-N 3.32Å; L351-Q384 HydrophobicContact CB-CG 3.8Å; L351-Q384 HydrophobicContact CD1-CB 4.19Å; L351-Q384 HydrophobicContact CD1-CG 4.14Å; L351-Q384 HydrophobicContact CD2-CG 4.23Å; L351-Q384 HydrophobicContact CG-CG 4.26Å; L351-N388 PolarHBondContact O-ND2 3.43Å; L351-C457 HydrophobicContact CD2-CB 4.21Å; L351-C457 WeakPolarHBondContact O-CB 3.42Å
352	L	98	Very high	94.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-89.6	11.6	179.7	-66.4	177.8	0	0	0	114	L229 F233 Q349 P354 T355 Y356 N388 A391 F397	L229-L352 HydrophobicContact CD1-CD1 4.15Å; L229-L352 HydrophobicContact CD1-CD2 4.04Å; L229-L352 HydrophobicContact CD1-CG 3.97Å; L229-L352 HydrophobicContact CD2-CD2 4.07Å; L229-L352 HydrophobicContact CD2-CG 4.32Å; F233-L352 HydrophobicContact CE2-CD1 3.94Å; F233-L352 HydrophobicContact CE2-CD2 4.19Å; F233-L352 HydrophobicContact CZ-CD1 3.91Å; F233-L352 HydrophobicContact CZ-CD2 4.36Å; Q349-L352 HydrophobicContact CB-CD1 4.13Å; Q349-L352 HydrophobicContact CG-CD1 4.18Å; Q349-L352 WeakPolarHBondContact O-CB 3.3Å; Q349-L352 PolarHBondContact O-N 2.97Å; L352-P354 VanDerWaalsContact C-N 3.33Å; L352-P354 VanDerWaalsContact O-N 3.17Å; L352-T355 WeakPolarHBondContact O-CB 3.37Å; L352-T355 PolarHBondContact O-N 3.2Å; L352-Y356 HydrophobicContact CB-CD2 4.08Å; L352-Y356 HydrophobicContact CB-CE2 3.92Å; L352-Y356 HydrophobicContact CD1-CE2 4.41Å; L352-Y356 WeakPolarHBondContact O-CD2 3.36Å; L352-Y356 PolarHBondContact O-N 2.76Å; L352-N388 WeakPolarHBondContact CA-OD1 3.49Å; L352-A391 HydrophobicContact CD2-CB 4.1Å; L352-F397 HydrophobicContact CD1-CE1 4.43Å; L352-F397 HydrophobicContact CD1-CE2 3.96Å; L352-F397 HydrophobicContact CD1-CZ 3.55Å
353	G	97.8	Very high	94.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-41.9	-50.7	177.8	0	0	0	0	0	114.7	L351 T355 Y356 A357	L351-G353 VanDerWaalsContact C-N 3.32Å; G353-T355 PolarHBondContact O-N 2.49Å; G353-Y356 PolarHBondContact O-N 2.59Å; G353-A357 WeakPolarHBondContact O-CB 3.49Å; G353-A357 PolarHBondContact O-N 3.31Å
354	P	98.4	Very high	94.2	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-42	176.8	-25.6	33.7	0	0	0	114.6	L352 Y356 A357 T358 F377 N388 A455 C457	L352-P354 VanDerWaalsContact C-N 3.33Å; L352-P354 VanDerWaalsContact O-N 3.17Å; P354-Y356 VanDerWaalsContact C-N 3.27Å; P354-Y356 PolarHBondContact O-N 3.13Å; P354-A357 PolarHBondContact O-N 2.85Å; P354-T358 VanDerWaalsContact O-CB 3.24Å; P354-T358 WeakPolarHBondContact O-CB 3.45Å; P354-T358 PolarHBondContact O-N 3.32Å; P354-T358 PolarHBondContact O-OG1 3.08Å; P354-F377 HydrophobicContact CB-CD2 3.87Å; P354-F377 HydrophobicContact CB-CE2 3.55Å; P354-F377 HydrophobicContact CB-CZ 4.42Å; P354-F377 HydrophobicContact CG-CD2 4.33Å; P354-F377 HydrophobicContact CG-CE2 4.48Å; P354-N388 WeakPolarHBondContact CB-OD1 3.41Å; P354-N388 VanDerWaalsContact CD-OD1 3.3Å; P354-N388 WeakPolarHBondContact CD-OD1 3.49Å; P354-A455 HydrophobicContact CB-CB 3.99Å; P354-A455 HydrophobicContact CG-CB 4.46Å; P354-C457 HydrophobicContact CG-CB 4.31Å
355	T	98.3	Very high	94.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.3	-39.5	177.1	-59.5	0	0	0	0	112	L352 G353 P359 N388 A391 M392 F397 M402	L352-T355 WeakPolarHBondContact O-CB 3.37Å; L352-T355 PolarHBondContact O-N 3.2Å; G353-T355 PolarHBondContact O-N 2.49Å; T355-P359 WeakPolarHBondContact O-CD 3.33Å; T355-P359 WeakPolarHBondContact O-CG 3.35Å; T355-N388 PolarHBondContact N-OD1 3.47Å; T355-N388 WeakPolarHBondContact OG1-CA 3.49Å; T355-N388 PolarHBondContact OG1-O 3.29Å; T355-N388 PolarHBondContact OG1-OD1 2.81Å; T355-A391 HydrophobicContact CG2-CB 3.79Å; T355-M392 HydrophobicContact CG2-CG 3.87Å; T355-F397 HydrophobicContact CG2-CD1 4.16Å; T355-F397 HydrophobicContact CG2-CE1 3.83Å; T355-M402 HydrophobicContact CG2-CE 4.37Å; T355-M402 HydrophobicContact CG2-SD 3.75Å
356	Y	98.2	Very high	94.8	Very high	17 Å²	17	34.3 Å²	34.3	7%	0.067	17%	0.172	C	C	.	.	H	α-helix	trans	-86.7	-31	179.6	-72.1	-97.4	0	0	0	114	Q344 Q349 L352 G353 P354 F397 Y401 M402	Q344-Y356 HydrophobicContact CG-CD2 3.82Å; Q344-Y356 HydrophobicContact CG-CE2 4Å; Q344-Y356 HydrophobicContact CG-CG 4.26Å; Q344-Y356 VanDerWaalsContact OE1-CD1 3.27Å; Q344-Y356 VanDerWaalsContact OE1-CZ 3.29Å; Q349-Y356 PolarHBondContact OE1-OH 2.72Å; Q349-Y356 VanDerWaalsContact OE1-OH 3.06Å; L352-Y356 HydrophobicContact CB-CD2 4.08Å; L352-Y356 HydrophobicContact CB-CE2 3.92Å; L352-Y356 HydrophobicContact CD1-CE2 4.41Å; L352-Y356 WeakPolarHBondContact O-CD2 3.36Å; L352-Y356 PolarHBondContact O-N 2.76Å; G353-Y356 PolarHBondContact O-N 2.59Å; P354-Y356 VanDerWaalsContact C-N 3.27Å; P354-Y356 PolarHBondContact O-N 3.13Å; Y356-F397 AromaticContact CE2-CE1 3.9Å; Y356-F397 HydrophobicContact CE2-CE1 3.9Å; Y356-F397 AromaticContact CE2-CZ 3.83Å; Y356-F397 HydrophobicContact CE2-CZ 3.83Å; Y356-F397 AromaticContact CZ-CE1 3.94Å; Y356-F397 AromaticContact CZ-CZ 3.86Å; Y356-F397 WeakPolarHBondContact OH-CZ 3.14Å; Y356-Y401 WeakPolarHBondContact OH-CB 3.35Å; Y356-M402 HydrophobicContact CD1-CG 4.1Å; Y356-M402 HydrophobicContact CE1-CB 4.44Å; Y356-M402 HydrophobicContact CE1-CG 3.83Å
357	A	98.5	Very high	95.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-78.3	-41.7	-177.2	0	0	0	0	0	112.3	V340 V342 G353 P354 K360 V361 A465	V340-A357 HydrophobicContact CG2-CB 4.05Å; V340-A357 WeakPolarHBondContact CG2-O 3.46Å; V342-A357 HydrophobicContact CG1-CB 4.24Å; V342-A357 HydrophobicContact CG2-CB 3.82Å; G353-A357 WeakPolarHBondContact O-CB 3.49Å; G353-A357 PolarHBondContact O-N 3.31Å; P354-A357 PolarHBondContact O-N 2.85Å; A357-K360 PolarHBondContact O-N 3.42Å; A357-V361 PolarHBondContact O-N 3.21Å; A357-A465 HydrophobicContact CB-CB 3.58Å
358	T	98.6	Very high	95.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-54.3	-53.3	-177.3	-59.1	0	0	0	0	113.5	P354 K360 V361 L362 L369 M392 I408 L453	P354-T358 VanDerWaalsContact O-CB 3.24Å; P354-T358 WeakPolarHBondContact O-CB 3.45Å; P354-T358 PolarHBondContact O-N 3.32Å; P354-T358 PolarHBondContact O-OG1 3.08Å; T358-K360 VanDerWaalsContact C-N 3.31Å; T358-K360 PolarHBondContact O-N 2.73Å; T358-V361 WeakPolarHBondContact O-CG1 3.44Å; T358-V361 PolarHBondContact O-N 2.76Å; T358-L362 HydrophobicContact CG2-CD1 3.67Å; T358-L362 HydrophobicContact CG2-CG 4.28Å; T358-L362 WeakPolarHBondContact O-CB 3.43Å; T358-L362 VanDerWaalsContact O-CG 3.31Å; T358-L362 WeakPolarHBondContact O-CG 3.14Å; T358-L362 PolarHBondContact O-N 3.39Å; T358-L362 VanDerWaalsContact O-N 3.1Å; T358-L369 HydrophobicContact CG2-CD2 4.08Å; T358-M392 HydrophobicContact CG2-CE 3.82Å; T358-I408 HydrophobicContact CG2-CD1 3.68Å; T358-L453 HydrophobicContact CG2-CD2 3.44Å; T358-L453 VanDerWaalsContact CG2-CD2 3.44Å
359	P	97.8	Very high	96.4	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.026	14%	0.141	C	C	.	.	H	α-helix	trans	-59.4	-43.7	179.4	17.3	-27.7	0	0	0	112	T355 V361 L362 E363 R404 I408	T355-P359 WeakPolarHBondContact O-CD 3.33Å; T355-P359 WeakPolarHBondContact O-CG 3.35Å; P359-V361 PolarHBondContact O-N 2.97Å; P359-L362 PolarHBondContact O-N 3.07Å; P359-E363 WeakPolarHBondContact O-CB 3.19Å; P359-E363 WeakPolarHBondContact O-CG 3.41Å; P359-E363 PolarHBondContact O-N 3.25Å; P359-R404 VanDerWaalsContact CB-CZ 3.4Å; P359-I408 HydrophobicContact CB-CD1 3.76Å; P359-I408 HydrophobicContact CG-CD1 4.28Å
360	K	98.2	Very high	96.8	Very high	106 Å²	106	29.6 Å²	29.6	46%	0.461	16%	0.163	S	C	.	.	H	α-helix	trans	-63.4	-41.4	-176.8	-68	-173.5	-177	-176.6	0	112.6	V340 V342 A357 T358 R364	V340-K360 HydrophobicContact CG1-CB 4.3Å; V340-K360 HydrophobicContact CG2-CB 4.24Å; V342-K360 HydrophobicContact CG1-CD 3.77Å; A357-K360 PolarHBondContact O-N 3.42Å; T358-K360 VanDerWaalsContact C-N 3.31Å; T358-K360 PolarHBondContact O-N 2.73Å; K360-R364 WeakPolarHBondContact O-CB 3.16Å; K360-R364 WeakPolarHBondContact O-CG 3.45Å; K360-R364 PolarHBondContact O-N 2.84Å; K360-R364 VanDerWaalsContact O-N 3.13Å
361	V	98.4	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-73.4	-39.9	-179.8	75.4	0	0	0	0	111.8	D338 V340 A357 T358 P359 R364 A365 L453 A465 V467	D338-V361 HydrophobicContact CB-CG2 4Å; D338-V361 WeakPolarHBondContact O-CG2 3.29Å; V340-V361 HydrophobicContact CG1-CB 4.05Å; V340-V361 HydrophobicContact CG1-CG2 4.3Å; V340-V361 HydrophobicContact CG2-CB 3.86Å; A357-V361 PolarHBondContact O-N 3.21Å; T358-V361 WeakPolarHBondContact O-CG1 3.44Å; T358-V361 PolarHBondContact O-N 2.76Å; P359-V361 PolarHBondContact O-N 2.97Å; V361-R364 PolarHBondContact O-N 3.19Å; V361-A365 WeakPolarHBondContact O-CB 3.28Å; V361-A365 PolarHBondContact O-N 2.72Å; V361-L453 HydrophobicContact CG1-CD1 3.65Å; V361-A465 HydrophobicContact CB-CB 4.29Å; V361-A465 HydrophobicContact CG1-CB 3.68Å; V361-V467 HydrophobicContact CG1-CG2 4.32Å; V361-V467 HydrophobicContact CG2-CG2 3.98Å
362	L	97.7	Very high	97.2	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-65.6	-43.9	178.4	-68.5	178.7	0	0	0	111.1	T358 P359 R364 A365 G366 L367 L369 I372 I408 L453 V467	T358-L362 HydrophobicContact CG2-CD1 3.67Å; T358-L362 HydrophobicContact CG2-CG 4.28Å; T358-L362 WeakPolarHBondContact O-CB 3.43Å; T358-L362 VanDerWaalsContact O-CG 3.31Å; T358-L362 WeakPolarHBondContact O-CG 3.14Å; T358-L362 PolarHBondContact O-N 3.39Å; T358-L362 VanDerWaalsContact O-N 3.1Å; P359-L362 PolarHBondContact O-N 3.07Å; L362-R364 PolarHBondContact O-N 3.38Å; L362-A365 CarbonylContact O-C 3.47Å; L362-A365 PolarHBondContact O-N 2.99Å; L362-G366 PolarHBondContact O-N 3.21Å; L362-L367 CarbonylContact C-O 3.48Å; L362-L367 HydrophobicContact CD2-CB 4.1Å; L362-L367 PolarHBondContact O-N 3.39Å; L362-L369 HydrophobicContact CD1-CD2 3.75Å; L362-L369 HydrophobicContact CD1-CG 4.05Å; L362-I372 HydrophobicContact CD2-CD1 3.71Å; L362-I372 HydrophobicContact CD2-CG1 3.87Å; L362-I408 HydrophobicContact CD1-CD1 4.2Å; L362-L453 HydrophobicContact CD2-CD1 4.45Å; L362-V467 HydrophobicContact CD2-CG2 4.3Å
363	E	96.2	Very high	97.2	Very high	108 Å²	108	33.3 Å²	33.3	51%	0.505	18%	0.183	S	C	.	.	H	α-helix	trans	-61	-43.9	174.8	-73.2	174.7	150.5	0	0	112.3	P359 A365 G366 R404	P359-E363 WeakPolarHBondContact O-CB 3.19Å; P359-E363 WeakPolarHBondContact O-CG 3.41Å; P359-E363 PolarHBondContact O-N 3.25Å; E363-A365 VanDerWaalsContact C-N 3.29Å; E363-A365 PolarHBondContact O-N 2.89Å; E363-G366 PolarHBondContact O-N 3.25Å; E363-R404 VanDerWaalsContact CD-NH2 3.3Å; E363-R404 IonicContact OE1-CZ 3.66Å; E363-R404 VanDerWaalsContact OE1-CZ 3.22Å; E363-R404 IonicContact OE1-NH1 3.48Å; E363-R404 PolarHBondContact OE1-NH1 2.9Å; E363-R404 IonicContact OE1-NH2 3.98Å; E363-R404 PolarHBondContact OE1-NH2 2.86Å; E363-R404 IonicContact OE2-CZ 2.62Å; E363-R404 IonicContact OE2-NH1 3.37Å; E363-R404 PolarHBondContact OE2-NH1 3Å; E363-R404 IonicContact OE2-NH2 3.66Å
364	R	95.8	Very high	97.3	Very high	133 Å²	133	33.3 Å²	33.3	50%	0.502	18%	0.183	S	C	.	.	H	α-helix	trans	-62.2	-36	175.4	-89.5	179.9	57.3	90.6	2.3	113.3	R47 D338 K360 V361 L362 G366	R47-R364 PolarHBondContact NH2-O 3.32Å; D338-R364 IonicContact OD1-CZ 3.89Å; D338-R364 IonicContact OD1-NE 3.74Å; D338-R364 PolarHBondContact OD1-NE 3.44Å; D338-R364 IonicContact OD1-NH2 2.76Å; D338-R364 PolarHBondContact OD1-NH2 3.41Å; K360-R364 WeakPolarHBondContact O-CB 3.16Å; K360-R364 WeakPolarHBondContact O-CG 3.45Å; K360-R364 PolarHBondContact O-N 2.84Å; K360-R364 VanDerWaalsContact O-N 3.13Å; V361-R364 PolarHBondContact O-N 3.19Å; L362-R364 PolarHBondContact O-N 3.38Å; R364-G366 VanDerWaalsContact C-N 3.26Å
365	A	96.3	Very high	97.3	Very high	13 Å²	13	33.5 Å²	33.5	11%	0.107	18%	0.184	C	C	.	.	H	α-helix	trans	-78.4	-11.6	175.8	0	0	0	0	0	112.5	L45 D338 V361 L362 E363 L367 V467	L45-A365 VanDerWaalsContact CD2-O 3.28Å; L45-A365 WeakPolarHBondContact CD2-O 3.32Å; D338-A365 HydrophobicContact CB-CB 4.22Å; D338-A365 WeakPolarHBondContact OD2-CA 3.48Å; V361-A365 WeakPolarHBondContact O-CB 3.28Å; V361-A365 PolarHBondContact O-N 2.72Å; L362-A365 CarbonylContact O-C 3.47Å; L362-A365 PolarHBondContact O-N 2.99Å; E363-A365 VanDerWaalsContact C-N 3.29Å; E363-A365 PolarHBondContact O-N 2.89Å; A365-L367 VanDerWaalsContact C-N 3.31Å; A365-L367 HydrophobicContact CB-CB 4.42Å; A365-L367 HydrophobicContact CB-CD1 4.24Å; A365-L367 HydrophobicContact CB-CG 4.06Å; A365-V467 HydrophobicContact CB-CG2 4.19Å
366	G	95.6	Very high	97.3	Very high	52 Å²	52	33.5 Å²	33.5	54%	0.536	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	31.3	-172.5	0	0	0	0	0	113.1	L362 E363 R364	L362-G366 PolarHBondContact O-N 3.21Å; E363-G366 PolarHBondContact O-N 3.25Å; R364-G366 VanDerWaalsContact C-N 3.26Å
367	L	96.4	Very high	97.3	Very high	20 Å²	20	32.8 Å²	32.8	11%	0.105	18%	0.181	C	C	.	.			trans	-113.2	163.7	178.9	-65.8	-175.7	0	0	0	111.7	L45 L362 A365 D371 I372 Y451 V467	L45-L367 HydrophobicContact CD1-CD1 3.9Å; L45-L367 HydrophobicContact CD2-CD1 4.43Å; L45-L367 HydrophobicContact CD2-CD2 4.12Å; L45-L367 HydrophobicContact CD2-CG 4.14Å; L362-L367 CarbonylContact C-O 3.48Å; L362-L367 HydrophobicContact CD2-CB 4.1Å; L362-L367 PolarHBondContact O-N 3.39Å; A365-L367 VanDerWaalsContact C-N 3.31Å; A365-L367 HydrophobicContact CB-CB 4.42Å; A365-L367 HydrophobicContact CB-CD1 4.24Å; A365-L367 HydrophobicContact CB-CG 4.06Å; L367-D371 HydrophobicContact CB-CB 4.44Å; L367-D371 HydrophobicContact CD2-CB 3.94Å; L367-I372 HydrophobicContact CD1-CD1 4Å; L367-Y451 HydrophobicContact CD1-CD1 4.2Å; L367-Y451 HydrophobicContact CD1-CD2 4.24Å; L367-Y451 HydrophobicContact CD1-CG 3.96Å; L367-Y451 HydrophobicContact CD2-CD2 4.29Å; L367-Y451 HydrophobicContact CD2-CE2 4.21Å; L367-V467 HydrophobicContact CD1-CG1 4.09Å
368	S	95.8	Very high	97.3	Very high	47 Å²	47	32.9 Å²	32.9	33%	0.329	18%	0.181	S	C	.	.			trans	-116.8	169.8	168.6	71.7	0	0	0	0	110.7	S370 D371	S368-S370 PolarHBondContact O-N 3.09Å; S368-S370 PolarHBondContact OG-N 3.16Å; S368-S370 PolarHBondContact OG-OG 3.17Å; S368-D371 WeakPolarHBondContact CB-OD2 3.43Å; S368-D371 PolarHBondContact N-OD2 3.39Å; S368-D371 PolarHBondContact O-N 3.33Å; S368-D371 VanDerWaalsContact O-N 3.14Å; S368-D371 PolarHBondContact OG-OD2 2.95Å
369	L	95.8	Very high	97.3	Very high	26 Å²	26	32.9 Å²	32.9	14%	0.136	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-57.6	-30.4	172.2	-77	177.5	0	0	0	112.7	T358 L362 D371 I372 F375 I408 G409 P411	T358-L369 HydrophobicContact CG2-CD2 4.08Å; L362-L369 HydrophobicContact CD1-CD2 3.75Å; L362-L369 HydrophobicContact CD1-CG 4.05Å; L369-D371 PolarHBondContact O-N 2.8Å; L369-I372 PolarHBondContact O-N 3.41Å; L369-F375 HydrophobicContact CD2-CE1 3.69Å; L369-F375 HydrophobicContact CD2-CZ 3.91Å; L369-I408 HydrophobicContact CD1-CD1 4.31Å; L369-I408 HydrophobicContact CD1-CG1 3.88Å; L369-I408 HydrophobicContact CD1-CG2 4.49Å; L369-I408 WeakPolarHBondContact CD1-O 3.45Å; L369-I408 HydrophobicContact CG-CD1 4.22Å; L369-I408 HydrophobicContact CG-CG1 4.09Å; L369-G409 WeakPolarHBondContact CD1-O 3.18Å; L369-P411 HydrophobicContact CD2-CG 4.33Å
370	S	95.4	Very high	97.3	Very high	87 Å²	87	33 Å²	33	61%	0.608	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-69.9	-20.6	-179.3	71.5	0	0	0	0	113.7	S368 I372	S368-S370 PolarHBondContact O-N 3.09Å; S368-S370 PolarHBondContact OG-N 3.16Å; S368-S370 PolarHBondContact OG-OG 3.17Å; S370-I372 VanDerWaalsContact C-N 3.33Å
371	D	96.2	Very high	97.3	Very high	47 Å²	47	28.6 Å²	28.6	25%	0.251	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-82.7	-14.1	177.5	-55.1	-63	0	0	0	112.1	L367 S368 L369 Y451	L367-D371 HydrophobicContact CB-CB 4.44Å; L367-D371 HydrophobicContact CD2-CB 3.94Å; S368-D371 WeakPolarHBondContact CB-OD2 3.43Å; S368-D371 PolarHBondContact N-OD2 3.39Å; S368-D371 PolarHBondContact O-N 3.33Å; S368-D371 VanDerWaalsContact O-N 3.14Å; S368-D371 PolarHBondContact OG-OD2 2.95Å; L369-D371 PolarHBondContact O-N 2.8Å; D371-Y451 HydrophobicContact CB-CD2 4.41Å; D371-Y451 WeakPolarHBondContact O-CD2 3.29Å
372	I	98.1	Very high	97.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.164	C	C	.	.			trans	-85.1	125.9	-178	-53.7	-56.8	0	0	0	110.7	L362 L367 L369 S370 V374 F375 K415 L453	L362-I372 HydrophobicContact CD2-CD1 3.71Å; L362-I372 HydrophobicContact CD2-CG1 3.87Å; L367-I372 HydrophobicContact CD1-CD1 4Å; L369-I372 PolarHBondContact O-N 3.41Å; S370-I372 VanDerWaalsContact C-N 3.33Å; I372-V374 VanDerWaalsContact CG2-O 3.22Å; I372-V374 WeakPolarHBondContact CG2-O 3.35Å; I372-F375 HydrophobicContact CB-CE1 3.89Å; I372-F375 HydrophobicContact CB-CE2 3.93Å; I372-F375 HydrophobicContact CB-CZ 3.46Å; I372-F375 VanDerWaalsContact CB-CZ 3.46Å; I372-F375 HydrophobicContact CG1-CE1 4.28Å; I372-F375 HydrophobicContact CG1-CZ 4.21Å; I372-F375 HydrophobicContact CG2-CD1 3.9Å; I372-F375 HydrophobicContact CG2-CD2 4Å; I372-F375 HydrophobicContact CG2-CE1 3.58Å; I372-F375 HydrophobicContact CG2-CE2 3.68Å; I372-F375 HydrophobicContact CG2-CG 4.11Å; I372-F375 HydrophobicContact CG2-CZ 3.47Å; I372-F375 VanDerWaalsContact CG2-CZ 3.47Å; I372-K415 PolarHBondContact O-NZ 3.17Å; I372-K415 VanDerWaalsContact O-NZ 3.11Å; I372-L453 HydrophobicContact CD1-CB 4.43Å; I372-L453 HydrophobicContact CG1-CB 4.37Å; I372-L453 HydrophobicContact CG2-CB 3.83Å
373	D	98.1	Very high	97.3	Very high	35 Å²	35	28.4 Å²	28.4	19%	0.187	16%	0.163	C	C	.	.			trans	-94.8	-32.6	-179.9	-56.4	-62.4	0	0	0	111.6	K42 K415 L444 G449 Q450 Y451	K42-D373 VanDerWaalsContact NZ-CG 3.26Å; K42-D373 IonicContact NZ-OD1 2.95Å; K42-D373 PolarHBondContact NZ-OD1 3.07Å; K42-D373 VanDerWaalsContact NZ-OD1 3.09Å; K42-D373 IonicContact NZ-OD2 3.8Å; K42-D373 PolarHBondContact NZ-OD2 3.02Å; D373-K415 WeakPolarHBondContact O-CB 3.48Å; D373-K415 WeakPolarHBondContact O-CD 3.38Å; D373-K415 WeakPolarHBondContact O-CG 3.3Å; D373-L444 HydrophobicContact CB-CD2 4.39Å; D373-G449 WeakPolarHBondContact OD2-CA 3.31Å; D373-Q450 PolarHBondContact OD2-N 2.74Å; D373-Y451 PolarHBondContact N-O 3.21Å; D373-Y451 PolarHBondContact OD2-N 2.85Å
374	V	98.6	Very high	97.4	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	128.2	-176.2	174	0	0	0	0	110.5	I372 E376 V440 R443 L444 Y451 G452 L453	I372-V374 VanDerWaalsContact CG2-O 3.22Å; I372-V374 WeakPolarHBondContact CG2-O 3.35Å; V374-E376 HydrophobicContact CG1-CG 4.33Å; V374-V440 HydrophobicContact CG1-CG1 4.26Å; V374-V440 HydrophobicContact CG1-CG2 4.39Å; V374-R443 HydrophobicContact CG1-CB 3.89Å; V374-R443 HydrophobicContact CG2-CB 4.13Å; V374-L444 HydrophobicContact CB-CD2 4.06Å; V374-L444 HydrophobicContact CB-CG 4.32Å; V374-L444 HydrophobicContact CG2-CD2 3.65Å; V374-L444 HydrophobicContact CG2-CG 4.02Å; V374-Y451 PolarHBondContact N-O 3.43Å; V374-G452 CarbonylContact O-C 3.54Å; V374-G452 WeakPolarHBondContact O-CA 3.43Å; V374-L453 PolarHBondContact O-N 2.82Å
375	F	98.8	Very high	97.6	Very high	4 Å²	4	17 Å²	17	2%	0.018	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.6	170.6	-63	-91.7	0	0	0	109.8	L369 I372 F377 P411 K415 F416 N417 R443 L453	L369-F375 HydrophobicContact CD2-CE1 3.69Å; L369-F375 HydrophobicContact CD2-CZ 3.91Å; I372-F375 HydrophobicContact CB-CE1 3.89Å; I372-F375 HydrophobicContact CB-CE2 3.93Å; I372-F375 HydrophobicContact CB-CZ 3.46Å; I372-F375 VanDerWaalsContact CB-CZ 3.46Å; I372-F375 HydrophobicContact CG1-CE1 4.28Å; I372-F375 HydrophobicContact CG1-CZ 4.21Å; I372-F375 HydrophobicContact CG2-CD1 3.9Å; I372-F375 HydrophobicContact CG2-CD2 4Å; I372-F375 HydrophobicContact CG2-CE1 3.58Å; I372-F375 HydrophobicContact CG2-CE2 3.68Å; I372-F375 HydrophobicContact CG2-CG 4.11Å; I372-F375 HydrophobicContact CG2-CZ 3.47Å; I372-F375 VanDerWaalsContact CG2-CZ 3.47Å; F375-F377 HydrophobicContact CD1-CE1 4.11Å; F375-P411 HydrophobicContact CD1-CB 3.82Å; F375-P411 HydrophobicContact CD1-CG 4.19Å; F375-P411 HydrophobicContact CD2-CB 4.13Å; F375-P411 HydrophobicContact CE1-CB 3.82Å; F375-P411 HydrophobicContact CE1-CG 4.06Å; F375-P411 HydrophobicContact CE2-CB 4.14Å; F375-P411 HydrophobicContact CG-CB 3.97Å; F375-P411 HydrophobicContact CZ-CB 3.97Å; F375-K415 HydrophobicContact CD2-CB 3.87Å; F375-K415 HydrophobicContact CE2-CB 4.36Å; F375-K415 HydrophobicContact CE2-CD 4.41Å; F375-K415 PolarHBondContact N-O 3.25Å; F375-K415 VanDerWaalsContact N-O 3.09Å; F375-F416 HydrophobicContact CB-CB 4.36Å; F375-F416 HydrophobicContact CB-CD2 3.63Å; F375-F416 HydrophobicContact CB-CE2 4.35Å; F375-F416 HydrophobicContact CB-CG 4.28Å; F375-F416 HydrophobicContact CG-CD2 4.31Å; F375-N417 PolarHBondContact O-N 3.31Å; F375-N417 PolarHBondContact O-OD1 3.45Å; F375-R443 PolarHBondContact O-NH1 3.44Å; F375-L453 WeakPolarHBondContact CA-O 3.16Å; F375-L453 HydrophobicContact CD1-CB 3.95Å; F375-L453 HydrophobicContact CD1-CD2 3.9Å; F375-L453 HydrophobicContact CD1-CG 4.44Å; F375-L453 HydrophobicContact CE1-CB 4.21Å; F375-L453 HydrophobicContact CE1-CD2 3.84Å
376	E	98.8	Very high	97.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	103	172.3	-76.1	-64.6	142	0	0	110	V374 N417 R435 L436 T439 V440 R443 L453 V454 A455	V374-E376 HydrophobicContact CG1-CG 4.33Å; E376-N417 VanDerWaalsContact CA-OD1 3.24Å; E376-N417 WeakPolarHBondContact CA-OD1 3.43Å; E376-N417 WeakPolarHBondContact OE1-CA 3.45Å; E376-R435 IonicContact OE2-NH1 3Å; E376-L436 HydrophobicContact CB-CD2 4.28Å; E376-T439 HydrophobicContact CG-CG2 4.1Å; E376-V440 HydrophobicContact CB-CG2 3.39Å; E376-V440 HydrophobicContact CG-CB 4.46Å; E376-V440 HydrophobicContact CG-CG2 3.42Å; E376-V440 VanDerWaalsContact CG-CG2 3.42Å; E376-R443 WeakPolarHBondContact OE1-CD 3.25Å; E376-R443 IonicContact OE1-CZ 3.62Å; E376-R443 IonicContact OE1-NE 3.72Å; E376-R443 IonicContact OE1-NH1 2.72Å; E376-R443 PolarHBondContact OE1-NH1 2.6Å; E376-L453 PolarHBondContact N-O 2.86Å; E376-V454 VanDerWaalsContact O-CA 3.27Å; E376-V454 WeakPolarHBondContact O-CA 3.42Å; E376-A455 PolarHBondContact O-N 3.5Å
377	F	98.8	Very high	97.8	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.009	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	145.7	-177.2	-82.5	36.3	0	0	0	111.4	P354 F375 E379 I385 F416 N417 L453 A455	P354-F377 HydrophobicContact CB-CD2 3.87Å; P354-F377 HydrophobicContact CB-CE2 3.55Å; P354-F377 HydrophobicContact CB-CZ 4.42Å; P354-F377 HydrophobicContact CG-CD2 4.33Å; P354-F377 HydrophobicContact CG-CE2 4.48Å; F375-F377 HydrophobicContact CD1-CE1 4.11Å; F377-E379 PolarHBondContact O-N 3.5Å; F377-I385 HydrophobicContact CB-CD1 4.08Å; F377-F416 HydrophobicContact CB-CE1 4.07Å; F377-F416 HydrophobicContact CB-CE2 3.88Å; F377-F416 HydrophobicContact CB-CZ 3.38Å; F377-F416 AromaticContact CD1-CE2 3.82Å; F377-F416 HydrophobicContact CD1-CE2 3.82Å; F377-F416 HydrophobicContact CD1-CZ 4.24Å; F377-F416 AromaticContact CD2-CE2 3.65Å; F377-F416 HydrophobicContact CD2-CE2 3.65Å; F377-F416 AromaticContact CD2-CZ 3.65Å; F377-F416 HydrophobicContact CD2-CZ 3.65Å; F377-F416 HydrophobicContact CE1-CE2 4.26Å; F377-F416 HydrophobicContact CE2-CE2 4.09Å; F377-F416 HydrophobicContact CE2-CZ 4.47Å; F377-F416 AromaticContact CG-CE2 3.51Å; F377-F416 HydrophobicContact CG-CE2 3.51Å; F377-F416 AromaticContact CG-CZ 3.51Å; F377-F416 HydrophobicContact CG-CZ 3.51Å; F377-F416 HydrophobicContact CZ-CE2 4.39Å; F377-N417 PolarHBondContact N-OD1 3.43Å; F377-N417 PolarHBondContact O-ND2 2.75Å; F377-L453 HydrophobicContact CE1-CD2 3.93Å; F377-L453 HydrophobicContact CE1-CG 4.19Å; F377-L453 HydrophobicContact CZ-CD2 4.08Å; F377-A455 CarbonylContact C-O 3.53Å; F377-A455 VanDerWaalsContact CA-O 3.23Å; F377-A455 WeakPolarHBondContact CA-O 3.08Å; F377-A455 HydrophobicContact CD1-CB 3.81Å; F377-A455 HydrophobicContact CD2-CB 4.15Å; F377-A455 HydrophobicContact CE1-CB 3.48Å; F377-A455 VanDerWaalsContact CE1-CB 3.48Å; F377-A455 HydrophobicContact CE2-CB 3.87Å; F377-A455 HydrophobicContact CG-CB 4.13Å; F377-A455 HydrophobicContact CZ-CB 3.52Å
378	H	98.7	Very high	97.9	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	9%	0.087	C	C	.	.			trans	-64.6	113.2	171.3	179.7	-120	0	0	0	111.6	A380 Q384 I385 S422 H427 L436 A455 A456 C457	H378-A380 PolarHBondContact O-N 3.29Å; H378-Q384 PolarHBondContact O-OE1 3.25Å; H378-I385 WeakPolarHBondContact O-CD1 3.29Å; H378-S422 PolarHBondContact CD2-OG 3.2Å; H378-H427 AromaticContact CD2-CE1 3.84Å; H378-H427 AromaticContact CD2-ND1 3.84Å; H378-H427 AromaticContact CE1-CD2 3.56Å; H378-H427 AromaticContact CE1-CE1 3.45Å; H378-H427 PolarHBondContact CE1-CE1 2.82Å; H378-H427 VanDerWaalsContact CE1-CE1 3.45Å; H378-H427 AromaticContact CE1-CG 3.99Å; H378-H427 AromaticContact CE1-ND1 3.94Å; H378-H427 AromaticContact CE1-NE2 3.19Å; H378-H427 PolarHBondContact CE1-NE2 3.46Å; H378-H427 AromaticContact NE2-CD2 3.26Å; H378-H427 PolarHBondContact NE2-CD2 2.87Å; H378-H427 VanDerWaalsContact NE2-CD2 3.26Å; H378-H427 AromaticContact NE2-CE1 3.03Å; H378-H427 PolarHBondContact NE2-CE1 3.17Å; H378-H427 AromaticContact NE2-CG 3.22Å; H378-H427 AromaticContact NE2-ND1 3.09Å; H378-H427 PolarHBondContact NE2-ND1 3.31Å; H378-H427 AromaticContact NE2-NE2 3.15Å; H378-H427 PolarHBondContact NE2-NE2 3.18Å; H378-H427 VanDerWaalsContact NE2-NE2 3.15Å; H378-L436 HydrophobicContact CB-CD1 4.06Å; H378-A455 PolarHBondContact N-O 3.43Å; H378-A456 HydrophobicContact CB-CB 3.51Å; H378-C457 PolarHBondContact ND1-O 2.71Å; H378-C457 PolarHBondContact ND1-SG 3.33Å
379	E	98.6	Very high	98	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.073	C	C	.	.			trans	-91.8	78	179.3	-56.4	178.6	165.9	0	0	111.3	F243 S247 F377 I385 N417 G421 S422 L423	F243-E379 HydrophobicContact CE1-CG 4.16Å; F243-E379 HydrophobicContact CZ-CG 4.35Å; F243-E379 WeakPolarHBondContact CZ-OE1 3.3Å; S247-E379 WeakPolarHBondContact CB-OE2 3.3Å; S247-E379 PolarHBondContact OG-OE1 3.28Å; S247-E379 PolarHBondContact OG-OE2 2.67Å; F377-E379 PolarHBondContact O-N 3.5Å; E379-I385 HydrophobicContact CB-CG1 4.38Å; E379-I385 HydrophobicContact CG-CD1 4.42Å; E379-I385 HydrophobicContact CG-CG1 4.22Å; E379-N417 VanDerWaalsContact CD-ND2 3.31Å; E379-N417 WeakPolarHBondContact CG-ND2 3.28Å; E379-N417 WeakPolarHBondContact OE1-CB 3.43Å; E379-N417 PolarHBondContact OE1-ND2 2.72Å; E379-G421 VanDerWaalsContact CD-CA 3.42Å; E379-G421 WeakPolarHBondContact OE2-CA 3.47Å; E379-G421 PolarHBondContact OE2-N 2.62Å; E379-S422 WeakPolarHBondContact O-CB 3.35Å; E379-S422 PolarHBondContact OE2-N 3Å; E379-L423 HydrophobicContact CB-CB 3.82Å; E379-L423 PolarHBondContact O-N 3.44Å; E379-L423 VanDerWaalsContact OE2-CB 3.26Å; E379-L423 WeakPolarHBondContact OE2-CB 3.24Å; E379-L423 PolarHBondContact OE2-N 3.27Å
380	A	97	Very high	98.1	Very high	6 Å²	6	14.6 Å²	14.6	5%	0.05	8%	0.081	C	C	.	.	S	Bend	trans	-64.2	-46.1	176.4	0	0	0	0	0	111.1	S308 H378 Q384	S308-A380 VanDerWaalsContact CB-O 3.26Å; S308-A380 WeakPolarHBondContact CB-O 3.28Å; S308-A380 PolarHBondContact N-O 3.33Å; S308-A380 PolarHBondContact OG-O 2.87Å; H378-A380 PolarHBondContact O-N 3.29Å; A380-Q384 HydrophobicContact CB-CG 4.47Å
381	F	98.6	Very high	98.3	Very high	15 Å²	15	10.4 Å²	10.4	7%	0.066	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	-148.5	151	177.9	-61.3	-90.4	0	0	0	108.4	M222 G223 A226 F295 V302 S307 G383 Q384 I385	M222-F381 HydrophobicContact CB-CE2 4.24Å; M222-F381 HydrophobicContact CB-CZ 4.46Å; G223-F381 VanDerWaalsContact CA-CZ 3.48Å; A226-F381 HydrophobicContact CB-CB 3.98Å; A226-F381 HydrophobicContact CB-CD1 4.08Å; A226-F381 HydrophobicContact CB-CD2 3.45Å; A226-F381 VanDerWaalsContact CB-CD2 3.45Å; A226-F381 HydrophobicContact CB-CE2 3.94Å; A226-F381 HydrophobicContact CB-CG 3.56Å; A226-F381 HydrophobicContact CB-CZ 4.45Å; F295-F381 AromaticContact CE2-CE1 3.76Å; F295-F381 HydrophobicContact CE2-CE1 3.76Å; F295-F381 AromaticContact CZ-CE1 4Å; F295-F381 HydrophobicContact CZ-CE1 4Å; F295-F381 HydrophobicContact CZ-CZ 4.41Å; V302-F381 HydrophobicContact CG1-CD1 3.74Å; V302-F381 HydrophobicContact CG1-CE1 4.18Å; S307-F381 WeakPolarHBondContact OG-CD1 3.39Å; S307-F381 WeakPolarHBondContact OG-CE1 3.5Å; F381-G383 VanDerWaalsContact C-N 3.31Å; F381-G383 PolarHBondContact O-N 3.38Å; F381-Q384 HydrophobicContact CB-CB 3.97Å; F381-Q384 WeakPolarHBondContact O-CB 3.49Å; F381-Q384 PolarHBondContact O-N 2.87Å; F381-Q384 VanDerWaalsContact O-N 3.15Å; F381-I385 PolarHBondContact O-N 3.15Å
382	A	98.5	Very high	98.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61	-43.8	173.8	0	0	0	0	0	111	Q240 F243 A244 N306 Q384 I385 M386 L423	Q240-A382 HydrophobicContact CB-CB 3.95Å; Q240-A382 HydrophobicContact CG-CB 4.39Å; Q240-A382 WeakPolarHBondContact O-CB 3.26Å; F243-A382 HydrophobicContact CB-CB 4.25Å; F243-A382 HydrophobicContact CD1-CB 3.9Å; F243-A382 HydrophobicContact CG-CB 4.49Å; A244-A382 HydrophobicContact CB-CB 4.3Å; N306-A382 HydrophobicContact CB-CB 4.01Å; N306-A382 WeakPolarHBondContact O-CB 3.49Å; N306-A382 PolarHBondContact O-N 3.26Å; A382-Q384 PolarHBondContact O-N 3.2Å; A382-I385 PolarHBondContact O-N 3.45Å; A382-M386 WeakPolarHBondContact O-CG 3.4Å; A382-M386 PolarHBondContact O-N 3.2Å; A382-L423 HydrophobicContact CB-CD1 3.87Å
383	G	98.1	Very high	98.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-58.2	-34.4	174.6	0	0	0	0	0	113.5	Q240 F381 A387	Q240-G383 VanDerWaalsContact CD-CA 3.49Å; F381-G383 VanDerWaalsContact C-N 3.31Å; F381-G383 PolarHBondContact O-N 3.38Å; G383-A387 WeakPolarHBondContact O-CB 3.29Å; G383-A387 PolarHBondContact O-N 3.35Å
384	Q	98.3	Very high	98.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.7	-48.2	175.9	172.7	-88.3	-51.6	0	0	111.8	L351 H378 A380 F381 A382 N388 C457	L351-Q384 HydrophobicContact CB-CG 3.8Å; L351-Q384 HydrophobicContact CD1-CB 4.19Å; L351-Q384 HydrophobicContact CD1-CG 4.14Å; L351-Q384 HydrophobicContact CD2-CG 4.23Å; L351-Q384 HydrophobicContact CG-CG 4.26Å; H378-Q384 PolarHBondContact O-OE1 3.25Å; A380-Q384 HydrophobicContact CB-CG 4.47Å; F381-Q384 HydrophobicContact CB-CB 3.97Å; F381-Q384 WeakPolarHBondContact O-CB 3.49Å; F381-Q384 PolarHBondContact O-N 2.87Å; F381-Q384 VanDerWaalsContact O-N 3.15Å; A382-Q384 PolarHBondContact O-N 3.2Å; Q384-N388 PolarHBondContact NE2-ND2 2.97Å; Q384-N388 PolarHBondContact O-N 2.75Å; Q384-N388 PolarHBondContact O-ND2 3.39Å; Q384-C457 VanDerWaalsContact CD-SG 3.55Å
385	I	98.6	Very high	98.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.9	-51.8	178.7	-66.5	-66.5	0	0	0	110.1	F243 F377 H378 E379 F381 A382 A387 N388 L389 F416	F243-I385 HydrophobicContact CD2-CG2 4.47Å; F243-I385 HydrophobicContact CE1-CB 4.2Å; F243-I385 HydrophobicContact CE1-CG1 4.14Å; F243-I385 HydrophobicContact CE1-CG2 4.25Å; F243-I385 HydrophobicContact CE2-CG2 3.77Å; F243-I385 HydrophobicContact CZ-CB 4.11Å; F243-I385 HydrophobicContact CZ-CG1 4.16Å; F243-I385 HydrophobicContact CZ-CG2 3.67Å; F377-I385 HydrophobicContact CB-CD1 4.08Å; H378-I385 WeakPolarHBondContact O-CD1 3.29Å; E379-I385 HydrophobicContact CB-CG1 4.38Å; E379-I385 HydrophobicContact CG-CD1 4.42Å; E379-I385 HydrophobicContact CG-CG1 4.22Å; F381-I385 PolarHBondContact O-N 3.15Å; A382-I385 PolarHBondContact O-N 3.45Å; I385-A387 VanDerWaalsContact C-N 3.27Å; I385-A387 PolarHBondContact O-N 2.67Å; I385-N388 WeakPolarHBondContact O-CA 3.17Å; I385-N388 WeakPolarHBondContact O-CB 3.26Å; I385-N388 PolarHBondContact O-N 2.91Å; I385-L389 HydrophobicContact CG2-CD1 4.08Å; I385-L389 HydrophobicContact CG2-CG 4.25Å; I385-L389 WeakPolarHBondContact O-CG 3.44Å; I385-L389 PolarHBondContact O-N 3.02Å; I385-F416 HydrophobicContact CD1-CE1 4.43Å; I385-F416 HydrophobicContact CD1-CZ 4.2Å; I385-F416 HydrophobicContact CG2-CE1 3.81Å; I385-F416 HydrophobicContact CG2-CZ 3.89Å
386	M	98.4	Very high	98.3	Very high	29 Å²	29	21.5 Å²	21.5	14%	0.143	10%	0.103	C	C	.	.	H	α-helix	trans	-60.4	-38	-177.9	-64.6	-51.8	-65.6	0	0	111.9	V235 F243 A382 L389 K390	V235-M386 HydrophobicContact CB-CB 4.45Å; V235-M386 HydrophobicContact CG1-CB 3.59Å; V235-M386 HydrophobicContact CG1-CG 4.32Å; V235-M386 HydrophobicContact CG2-CB 3.93Å; F243-M386 HydrophobicContact CB-CG 4.39Å; F243-M386 HydrophobicContact CB-SD 4.26Å; F243-M386 HydrophobicContact CD2-SD 3.9Å; F243-M386 HydrophobicContact CG-SD 4.26Å; A382-M386 WeakPolarHBondContact O-CG 3.4Å; A382-M386 PolarHBondContact O-N 3.2Å; M386-L389 PolarHBondContact O-N 2.99Å; M386-L389 HydrophobicContact SD-CD1 4.11Å; M386-K390 WeakPolarHBondContact O-CG 3.36Å; M386-K390 PolarHBondContact O-N 3.21Å
387	A	98.3	Very high	98.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.3	-40.8	173.9	0	0	0	0	0	112.3	L229 F233 V235 G383 I385 L389 K390 A391	L229-A387 HydrophobicContact CD2-CB 3.95Å; L229-A387 HydrophobicContact CG-CB 3.78Å; F233-A387 HydrophobicContact CB-CB 4.01Å; F233-A387 HydrophobicContact CD2-CB 3.99Å; F233-A387 HydrophobicContact CG-CB 4.16Å; V235-A387 HydrophobicContact CG2-CB 4.09Å; G383-A387 WeakPolarHBondContact O-CB 3.29Å; G383-A387 PolarHBondContact O-N 3.35Å; I385-A387 VanDerWaalsContact C-N 3.27Å; I385-A387 PolarHBondContact O-N 2.67Å; A387-L389 VanDerWaalsContact C-N 3.34Å; A387-L389 PolarHBondContact O-N 3.28Å; A387-K390 PolarHBondContact O-N 2.97Å; A387-A391 WeakPolarHBondContact O-CB 3.17Å; A387-A391 PolarHBondContact O-N 3.22Å
388	N	98.5	Very high	98.2	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.011	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-42.8	174.5	-87	-103	0	0	0	111.4	L351 L352 P354 T355 Q384 I385 A391 M392	L351-N388 PolarHBondContact O-ND2 3.43Å; L352-N388 WeakPolarHBondContact CA-OD1 3.49Å; P354-N388 WeakPolarHBondContact CB-OD1 3.41Å; P354-N388 VanDerWaalsContact CD-OD1 3.3Å; P354-N388 WeakPolarHBondContact CD-OD1 3.49Å; T355-N388 PolarHBondContact N-OD1 3.47Å; T355-N388 WeakPolarHBondContact OG1-CA 3.49Å; T355-N388 PolarHBondContact OG1-O 3.29Å; T355-N388 PolarHBondContact OG1-OD1 2.81Å; Q384-N388 PolarHBondContact NE2-ND2 2.97Å; Q384-N388 PolarHBondContact O-N 2.75Å; Q384-N388 PolarHBondContact O-ND2 3.39Å; I385-N388 WeakPolarHBondContact O-CA 3.17Å; I385-N388 WeakPolarHBondContact O-CB 3.26Å; I385-N388 PolarHBondContact O-N 2.91Å; N388-A391 PolarHBondContact O-N 2.88Å; N388-M392 WeakPolarHBondContact O-CB 3.4Å; N388-M392 WeakPolarHBondContact O-CG 3.41Å; N388-M392 PolarHBondContact O-N 3.42Å
389	L	98.4	Very high	98.1	Very high	10 Å²	10	27 Å²	27	5%	0.052	13%	0.128	C	C	.	.	H	α-helix	trans	-61.9	-47	176.9	-63.5	-179.9	0	0	0	111.1	I385 M386 A387 A391 M392 D393 T410 P411 L413 F416	I385-L389 HydrophobicContact CG2-CD1 4.08Å; I385-L389 HydrophobicContact CG2-CG 4.25Å; I385-L389 WeakPolarHBondContact O-CG 3.44Å; I385-L389 PolarHBondContact O-N 3.02Å; M386-L389 PolarHBondContact O-N 2.99Å; M386-L389 HydrophobicContact SD-CD1 4.11Å; A387-L389 VanDerWaalsContact C-N 3.34Å; A387-L389 PolarHBondContact O-N 3.28Å; L389-A391 VanDerWaalsContact C-N 3.33Å; L389-A391 PolarHBondContact O-N 3.26Å; L389-M392 PolarHBondContact O-N 3.36Å; L389-D393 PolarHBondContact O-N 3.35Å; L389-T410 HydrophobicContact CB-CG2 4Å; L389-T410 HydrophobicContact CD1-CG2 4.47Å; L389-T410 HydrophobicContact CD2-CG2 3.9Å; L389-T410 HydrophobicContact CG-CG2 4.32Å; L389-P411 HydrophobicContact CD2-CG 4.18Å; L389-L413 HydrophobicContact CD1-CD2 3.84Å; L389-F416 HydrophobicContact CD2-CE2 4.34Å
390	K	98.3	Very high	98	Very high	67 Å²	67	30.5 Å²	30.5	29%	0.291	15%	0.15	S	C	.	.	H	α-helix	trans	-61.8	-38.6	175.4	-70.2	-172.3	-173.9	-167.1	0	112.4	F233 G234 V235 E239 M386 A387 D393 S394	F233-K390 HydrophobicContact CB-CB 4.3Å; F233-K390 HydrophobicContact CD1-CB 4.28Å; F233-K390 WeakPolarHBondContact O-CD 3.33Å; G234-K390 PolarHBondContact O-NZ 3.25Å; V235-K390 HydrophobicContact CG2-CD 3.92Å; E239-K390 VanDerWaalsContact OE1-CE 3.26Å; E239-K390 WeakPolarHBondContact OE1-CE 3.49Å; E239-K390 IonicContact OE1-NZ 3.01Å; E239-K390 PolarHBondContact OE1-NZ 2.46Å; E239-K390 IonicContact OE2-NZ 3.14Å; E239-K390 PolarHBondContact OE2-NZ 3.09Å; M386-K390 WeakPolarHBondContact O-CG 3.36Å; M386-K390 PolarHBondContact O-N 3.21Å; A387-K390 PolarHBondContact O-N 2.97Å; K390-D393 PolarHBondContact O-N 3.46Å; K390-S394 WeakPolarHBondContact O-CB 3.42Å; K390-S394 PolarHBondContact O-N 3.13Å
391	A	98	Very high	98	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.9	-40.2	176.4	0	0	0	0	0	112.4	F233 L352 T355 A387 N388 L389 D393 S394 F397	F233-A391 HydrophobicContact CD1-CB 4.04Å; F233-A391 HydrophobicContact CE1-CB 3.36Å; F233-A391 HydrophobicContact CZ-CB 3.7Å; L352-A391 HydrophobicContact CD2-CB 4.1Å; T355-A391 HydrophobicContact CG2-CB 3.79Å; A387-A391 WeakPolarHBondContact O-CB 3.17Å; A387-A391 PolarHBondContact O-N 3.22Å; N388-A391 PolarHBondContact O-N 2.88Å; L389-A391 VanDerWaalsContact C-N 3.33Å; L389-A391 PolarHBondContact O-N 3.26Å; A391-D393 VanDerWaalsContact C-N 3.26Å; A391-D393 PolarHBondContact O-N 3.31Å; A391-S394 PolarHBondContact O-N 2.87Å; A391-F397 HydrophobicContact CB-CD1 4.05Å; A391-F397 HydrophobicContact CB-CE1 4.26Å; A391-F397 HydrophobicContact CB-CG 4.28Å
392	M	98	Very high	97.8	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.7	-27.1	176.4	-72.3	173.9	74.9	0	0	112.7	T355 T358 N388 L389 I408 G409 P411	T355-M392 HydrophobicContact CG2-CG 3.87Å; T358-M392 HydrophobicContact CG2-CE 3.82Å; N388-M392 WeakPolarHBondContact O-CB 3.4Å; N388-M392 WeakPolarHBondContact O-CG 3.41Å; N388-M392 PolarHBondContact O-N 3.42Å; L389-M392 PolarHBondContact O-N 3.36Å; M392-I408 HydrophobicContact CB-CG2 3.69Å; M392-I408 HydrophobicContact CE-CD1 4.48Å; M392-I408 HydrophobicContact CE-CG2 3.83Å; M392-I408 HydrophobicContact CG-CG2 3.95Å; M392-I408 WeakPolarHBondContact O-CG2 3.06Å; M392-I408 PolarHBondContact O-N 3.34Å; M392-G409 WeakPolarHBondContact CB-O 3.43Å; M392-G409 PolarHBondContact O-N 2.97Å; M392-P411 HydrophobicContact CE-CG 3.8Å; M392-P411 HydrophobicContact SD-CG 4.38Å
393	D	98.1	Very high	97.7	Very high	70 Å²	70	39.5 Å²	39.5	37%	0.374	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	7.6	179.2	-153.8	22.5	0	0	0	114.8	L389 K390 A391 K407 T410	L389-D393 PolarHBondContact O-N 3.35Å; K390-D393 PolarHBondContact O-N 3.46Å; A391-D393 VanDerWaalsContact C-N 3.26Å; A391-D393 PolarHBondContact O-N 3.31Å; D393-K407 VanDerWaalsContact C-CD 3.45Å; D393-K407 WeakPolarHBondContact O-CD 3.47Å; D393-K407 PolarHBondContact O-NZ 3.07Å; D393-K407 WeakPolarHBondContact OD1-CD 3.17Å; D393-K407 WeakPolarHBondContact OD1-CE 3.39Å; D393-K407 IonicContact OD1-NZ 3.07Å; D393-K407 PolarHBondContact OD1-NZ 3.42Å; D393-K407 IonicContact OD2-NZ 3.21Å; D393-T410 VanDerWaalsContact CB-OG1 3.23Å; D393-T410 WeakPolarHBondContact CB-OG1 3.43Å; D393-T410 VanDerWaalsContact CG-OG1 3.29Å
394	S	98.2	Very high	97.6	Very high	34 Å²	34	42.4 Å²	42.4	24%	0.238	22%	0.218	C	C	.	.			trans	-107.1	114.1	-177	179.1	0	0	0	0	111.8	K390 A391 W396 F397 A398	K390-S394 WeakPolarHBondContact O-CB 3.42Å; K390-S394 PolarHBondContact O-N 3.13Å; A391-S394 PolarHBondContact O-N 2.87Å; S394-W396 VanDerWaalsContact C-N 3.26Å; S394-W396 PolarHBondContact O-N 3.33Å; S394-F397 PolarHBondContact O-N 3.37Å; S394-F397 PolarHBondContact OG-N 2.75Å; S394-F397 VanDerWaalsContact OG-N 3.13Å; S394-A398 WeakPolarHBondContact O-CB 3.12Å; S394-A398 PolarHBondContact O-N 2.8Å
395	D	98.2	Very high	97.5	Very high	65 Å²	65	51.9 Å²	51.9	35%	0.348	26%	0.259	S	S	.	.	H	α-helix	trans	-61.9	-37.6	171.9	-75	-62.4	0	0	0	111.4	F397 A398 Q399 A406 K407	D395-F397 PolarHBondContact O-N 3.29Å; D395-A398 PolarHBondContact O-N 2.91Å; D395-Q399 WeakPolarHBondContact O-CB 3.42Å; D395-Q399 VanDerWaalsContact O-CG 3.32Å; D395-Q399 WeakPolarHBondContact O-CG 3.49Å; D395-Q399 PolarHBondContact O-N 3.42Å; D395-A406 VanDerWaalsContact OD1-CA 3.28Å; D395-A406 WeakPolarHBondContact OD1-CA 3.45Å; D395-K407 WeakPolarHBondContact OD1-CG 3.47Å; D395-K407 PolarHBondContact OD1-N 2.87Å
396	W	98.2	Very high	97.4	Very high	151 Å²	151	54.2 Å²	54.2	57%	0.572	28%	0.278	S	S	*	.	H	α-helix	trans	-59.8	-47.6	175.7	173.9	84	0	0	0	111.6	S394 A398 Q399 T400 Y401	S394-W396 VanDerWaalsContact C-N 3.26Å; S394-W396 PolarHBondContact O-N 3.33Å; W396-A398 VanDerWaalsContact C-N 3.33Å; W396-A398 PolarHBondContact O-N 2.9Å; W396-Q399 PolarHBondContact O-N 2.96Å; W396-T400 HydrophobicContact CZ2-CG2 4.41Å; W396-T400 PolarHBondContact NE1-OG1 2.86Å; W396-T400 WeakPolarHBondContact O-CB 3.46Å; W396-T400 PolarHBondContact O-N 3.07Å; W396-T400 PolarHBondContact O-OG1 3.33Å; W396-Y401 HydrophobicContact CE3-CE2 4.43Å; W396-Y401 AromaticContact CH2-CE2 3.44Å; W396-Y401 HydrophobicContact CH2-CE2 3.44Å; W396-Y401 VanDerWaalsContact CH2-CE2 3.44Å; W396-Y401 AromaticContact CZ2-CE2 4Å; W396-Y401 HydrophobicContact CZ2-CE2 4Å; W396-Y401 HydrophobicContact CZ3-CD2 4.41Å; W396-Y401 AromaticContact CZ3-CE2 3.66Å; W396-Y401 HydrophobicContact CZ3-CE2 3.66Å
397	F	97.3	Very high	97.3	Very high	3 Å²	3	56.8 Å²	56.8	1%	0.013	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-41	179.1	-170.8	-92.5	0	0	0	111.1	F233 L352 T355 Y356 A391 S394 D395 Q399 Y401 M402	F233-F397 AromaticContact CE1-CD2 3.85Å; F233-F397 HydrophobicContact CE1-CD2 3.85Å; F233-F397 HydrophobicContact CE1-CE2 4.25Å; F233-F397 HydrophobicContact CE1-CG 4.33Å; F233-F397 AromaticContact CZ-CD2 3.68Å; F233-F397 HydrophobicContact CZ-CD2 3.68Å; F233-F397 AromaticContact CZ-CE2 3.61Å; F233-F397 HydrophobicContact CZ-CE2 3.61Å; F233-F397 HydrophobicContact CZ-CG 4.47Å; F233-F397 HydrophobicContact CZ-CZ 4.34Å; L352-F397 HydrophobicContact CD1-CE1 4.43Å; L352-F397 HydrophobicContact CD1-CE2 3.96Å; L352-F397 HydrophobicContact CD1-CZ 3.55Å; T355-F397 HydrophobicContact CG2-CD1 4.16Å; T355-F397 HydrophobicContact CG2-CE1 3.83Å; Y356-F397 AromaticContact CE2-CE1 3.9Å; Y356-F397 HydrophobicContact CE2-CE1 3.9Å; Y356-F397 AromaticContact CE2-CZ 3.83Å; Y356-F397 HydrophobicContact CE2-CZ 3.83Å; Y356-F397 AromaticContact CZ-CE1 3.94Å; Y356-F397 AromaticContact CZ-CZ 3.86Å; Y356-F397 WeakPolarHBondContact OH-CZ 3.14Å; A391-F397 HydrophobicContact CB-CD1 4.05Å; A391-F397 HydrophobicContact CB-CE1 4.26Å; A391-F397 HydrophobicContact CB-CG 4.28Å; S394-F397 PolarHBondContact O-N 3.37Å; S394-F397 PolarHBondContact OG-N 2.75Å; S394-F397 VanDerWaalsContact OG-N 3.13Å; D395-F397 PolarHBondContact O-N 3.29Å; F397-Q399 PolarHBondContact O-N 2.96Å; F397-Y401 AromaticContact CD2-CD2 3.42Å; F397-Y401 HydrophobicContact CD2-CD2 3.42Å; F397-Y401 VanDerWaalsContact CD2-CD2 3.42Å; F397-Y401 AromaticContact CD2-CE2 3.95Å; F397-Y401 HydrophobicContact CD2-CE2 3.95Å; F397-Y401 HydrophobicContact CD2-CG 4.27Å; F397-Y401 AromaticContact CE2-CD2 3.47Å; F397-Y401 HydrophobicContact CE2-CD2 3.47Å; F397-Y401 VanDerWaalsContact CE2-CD2 3.47Å; F397-Y401 HydrophobicContact CE2-CE2 4.09Å; F397-Y401 AromaticContact CE2-CG 3.92Å; F397-Y401 HydrophobicContact CE2-CG 3.92Å; F397-Y401 HydrophobicContact CG-CD2 4.12Å; F397-Y401 HydrophobicContact CZ-CD2 4.22Å; F397-Y401 HydrophobicContact CZ-CG 4.29Å; F397-Y401 PolarHBondContact O-N 3.42Å; F397-M402 HydrophobicContact CD1-CE 4.12Å; F397-M402 HydrophobicContact CD1-CG 3.97Å; F397-M402 HydrophobicContact CD1-SD 4.22Å; F397-M402 HydrophobicContact CE1-CG 3.81Å; F397-M402 HydrophobicContact CE1-SD 4.18Å; F397-M402 PolarHBondContact O-N 3.42Å
398	A	97.6	Very high	97.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.5	-45	178.2	0	0	0	0	0	113.2	S394 D395 W396 M402 G403 R404 A406	S394-A398 WeakPolarHBondContact O-CB 3.12Å; S394-A398 PolarHBondContact O-N 2.8Å; D395-A398 PolarHBondContact O-N 2.91Å; W396-A398 VanDerWaalsContact C-N 3.33Å; W396-A398 PolarHBondContact O-N 2.9Å; A398-M402 HydrophobicContact CB-CE 3.42Å; A398-M402 VanDerWaalsContact CB-CE 3.42Å; A398-M402 CarbonylContact O-C 3.56Å; A398-M402 WeakPolarHBondContact O-CA 3.39Å; A398-M402 WeakPolarHBondContact O-CB 3.05Å; A398-M402 PolarHBondContact O-N 2.95Å; A398-G403 PolarHBondContact O-N 2.77Å; A398-G403 VanDerWaalsContact O-N 3.1Å; A398-R404 CarbonylContact C-O 3.53Å; A398-R404 HydrophobicContact CB-CB 4.34Å; A398-R404 PolarHBondContact O-N 3.2Å; A398-A406 WeakPolarHBondContact CB-O 3.49Å
399	Q	97.8	Very high	96.9	Very high	114 Å²	114	59.2 Å²	59.2	53%	0.533	31%	0.305	S	S	.	.	H	α-helix	trans	-73.7	-44.2	179.4	-68.4	170.1	10.2	0	0	111.8	D395 W396 F397 R404 K405	D395-Q399 WeakPolarHBondContact O-CB 3.42Å; D395-Q399 VanDerWaalsContact O-CG 3.32Å; D395-Q399 WeakPolarHBondContact O-CG 3.49Å; D395-Q399 PolarHBondContact O-N 3.42Å; W396-Q399 PolarHBondContact O-N 2.96Å; F397-Q399 PolarHBondContact O-N 2.96Å; Q399-R404 VanDerWaalsContact CA-O 3.28Å; Q399-R404 WeakPolarHBondContact CA-O 3.32Å; Q399-R404 VanDerWaalsContact CG-O 3.3Å; Q399-R404 WeakPolarHBondContact CG-O 3.23Å; Q399-R404 PolarHBondContact N-O 3.41Å; Q399-K405 PolarHBondContact NE2-O 3.33Å
400	T	96.8	Very high	96.6	Very high	75 Å²	75	61.6 Å²	61.6	46%	0.46	32%	0.32	S	S	.	.	H	α-helix	trans	-75.1	-43.3	-171.6	-53.3	0	0	0	0	112.7	W396	W396-T400 HydrophobicContact CZ2-CG2 4.41Å; W396-T400 PolarHBondContact NE1-OG1 2.86Å; W396-T400 WeakPolarHBondContact O-CB 3.46Å; W396-T400 PolarHBondContact O-N 3.07Å; W396-T400 PolarHBondContact O-OG1 3.33Å
401	Y	95.8	Very high	96.5	Very high	109 Å²	109	58.5 Å²	58.5	43%	0.427	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-31.6	-171.7	-60	-80.7	0	0	0	114.2	Y356 W396 F397	Y356-Y401 WeakPolarHBondContact OH-CB 3.35Å; W396-Y401 HydrophobicContact CE3-CE2 4.43Å; W396-Y401 AromaticContact CH2-CE2 3.44Å; W396-Y401 HydrophobicContact CH2-CE2 3.44Å; W396-Y401 VanDerWaalsContact CH2-CE2 3.44Å; W396-Y401 AromaticContact CZ2-CE2 4Å; W396-Y401 HydrophobicContact CZ2-CE2 4Å; W396-Y401 HydrophobicContact CZ3-CD2 4.41Å; W396-Y401 AromaticContact CZ3-CE2 3.66Å; W396-Y401 HydrophobicContact CZ3-CE2 3.66Å; F397-Y401 AromaticContact CD2-CD2 3.42Å; F397-Y401 HydrophobicContact CD2-CD2 3.42Å; F397-Y401 VanDerWaalsContact CD2-CD2 3.42Å; F397-Y401 AromaticContact CD2-CE2 3.95Å; F397-Y401 HydrophobicContact CD2-CE2 3.95Å; F397-Y401 HydrophobicContact CD2-CG 4.27Å; F397-Y401 AromaticContact CE2-CD2 3.47Å; F397-Y401 HydrophobicContact CE2-CD2 3.47Å; F397-Y401 VanDerWaalsContact CE2-CD2 3.47Å; F397-Y401 HydrophobicContact CE2-CE2 4.09Å; F397-Y401 AromaticContact CE2-CG 3.92Å; F397-Y401 HydrophobicContact CE2-CG 3.92Å; F397-Y401 HydrophobicContact CG-CD2 4.12Å; F397-Y401 HydrophobicContact CZ-CD2 4.22Å; F397-Y401 HydrophobicContact CZ-CG 4.29Å; F397-Y401 PolarHBondContact O-N 3.42Å
402	M	95.6	Very high	96.3	Very high	28 Å²	28	61.3 Å²	61.3	14%	0.138	33%	0.326	C	S	.	.	S	Bend	trans	-87.9	-12.9	-179.7	-53.7	-165	-77.8	0	0	112.8	T355 Y356 F397 A398 R404	T355-M402 HydrophobicContact CG2-CE 4.37Å; T355-M402 HydrophobicContact CG2-SD 3.75Å; Y356-M402 HydrophobicContact CD1-CG 4.1Å; Y356-M402 HydrophobicContact CE1-CB 4.44Å; Y356-M402 HydrophobicContact CE1-CG 3.83Å; F397-M402 HydrophobicContact CD1-CE 4.12Å; F397-M402 HydrophobicContact CD1-CG 3.97Å; F397-M402 HydrophobicContact CD1-SD 4.22Å; F397-M402 HydrophobicContact CE1-CG 3.81Å; F397-M402 HydrophobicContact CE1-SD 4.18Å; F397-M402 PolarHBondContact O-N 3.42Å; A398-M402 HydrophobicContact CB-CE 3.42Å; A398-M402 VanDerWaalsContact CB-CE 3.42Å; A398-M402 CarbonylContact O-C 3.56Å; A398-M402 WeakPolarHBondContact O-CA 3.39Å; A398-M402 WeakPolarHBondContact O-CB 3.05Å; A398-M402 PolarHBondContact O-N 2.95Å; M402-R404 VanDerWaalsContact C-N 3.26Å; M402-R404 HydrophobicContact CB-CB 4.38Å; M402-R404 HydrophobicContact CB-CG 3.8Å; M402-R404 PolarHBondContact O-N 3.03Å
403	G	95.6	Very high	96.2	Very high	72 Å²	72	65 Å²	65	74%	0.742	35%	0.346	S	S	*	.			trans	64	31.5	-174.8	0	0	0	0	0	112.8	A398	A398-G403 PolarHBondContact O-N 2.77Å; A398-G403 VanDerWaalsContact O-N 3.1Å
404	R	95.8	Very high	96.2	Very high	61 Å²	61	66.7 Å²	66.7	23%	0.23	36%	0.355	C	S	.	.			trans	-110.5	152.1	-175.6	-60.8	179.5	68.3	80.8	0.9	110.5	P359 E363 A398 Q399 M402	P359-R404 VanDerWaalsContact CB-CZ 3.4Å; E363-R404 VanDerWaalsContact CD-NH2 3.3Å; E363-R404 IonicContact OE1-CZ 3.66Å; E363-R404 VanDerWaalsContact OE1-CZ 3.22Å; E363-R404 IonicContact OE1-NH1 3.48Å; E363-R404 PolarHBondContact OE1-NH1 2.9Å; E363-R404 IonicContact OE1-NH2 3.98Å; E363-R404 PolarHBondContact OE1-NH2 2.86Å; E363-R404 IonicContact OE2-CZ 2.62Å; E363-R404 IonicContact OE2-NH1 3.37Å; E363-R404 PolarHBondContact OE2-NH1 3Å; E363-R404 IonicContact OE2-NH2 3.66Å; A398-R404 CarbonylContact C-O 3.53Å; A398-R404 HydrophobicContact CB-CB 4.34Å; A398-R404 PolarHBondContact O-N 3.2Å; Q399-R404 VanDerWaalsContact CA-O 3.28Å; Q399-R404 WeakPolarHBondContact CA-O 3.32Å; Q399-R404 VanDerWaalsContact CG-O 3.3Å; Q399-R404 WeakPolarHBondContact CG-O 3.23Å; Q399-R404 PolarHBondContact N-O 3.41Å; M402-R404 VanDerWaalsContact C-N 3.26Å; M402-R404 HydrophobicContact CB-CB 4.38Å; M402-R404 HydrophobicContact CB-CG 3.8Å; M402-R404 PolarHBondContact O-N 3.03Å
405	K	95.5	Very high	96.2	Very high	200 Å²	200	68 Å²	68	87%	0.87	36%	0.356	S	S	*	.	S	Bend	trans	-67.8	-37.8	-177.5	-64.9	-176.1	179.1	-178.5	0	113.1	Q399	Q399-K405 PolarHBondContact NE2-O 3.33Å
406	A	96.6	Very high	96.2	Very high	49 Å²	49	64.9 Å²	64.9	41%	0.405	34%	0.339	S	S	.	.	S	Bend	trans	-146.2	164.8	-176.8	0	0	0	0	0	109.9	D395 A398	D395-A406 VanDerWaalsContact OD1-CA 3.28Å; D395-A406 WeakPolarHBondContact OD1-CA 3.45Å; A398-A406 WeakPolarHBondContact CB-O 3.49Å
407	K	97	Very high	96.2	Very high	83 Å²	83	57.7 Å²	57.7	36%	0.361	31%	0.312	S	S	.	.			trans	-56.3	155.2	170.4	65.5	-178.1	176.2	168.4	0	112.1	D393 D395	D393-K407 VanDerWaalsContact C-CD 3.45Å; D393-K407 WeakPolarHBondContact O-CD 3.47Å; D393-K407 PolarHBondContact O-NZ 3.07Å; D393-K407 WeakPolarHBondContact OD1-CD 3.17Å; D393-K407 WeakPolarHBondContact OD1-CE 3.39Å; D393-K407 IonicContact OD1-NZ 3.07Å; D393-K407 PolarHBondContact OD1-NZ 3.42Å; D393-K407 IonicContact OD2-NZ 3.21Å; D395-K407 WeakPolarHBondContact OD1-CG 3.47Å; D395-K407 PolarHBondContact OD1-N 2.87Å
408	I	93.2	Very high	96.3	Very high	38 Å²	38	59.7 Å²	59.7	20%	0.195	32%	0.323	C	S	.	.			trans	-82.2	-33	173.9	-167.7	-177.4	0	0	0	111.1	T358 P359 L362 L369 M392	T358-I408 HydrophobicContact CG2-CD1 3.68Å; P359-I408 HydrophobicContact CB-CD1 3.76Å; P359-I408 HydrophobicContact CG-CD1 4.28Å; L362-I408 HydrophobicContact CD1-CD1 4.2Å; L369-I408 HydrophobicContact CD1-CD1 4.31Å; L369-I408 HydrophobicContact CD1-CG1 3.88Å; L369-I408 HydrophobicContact CD1-CG2 4.49Å; L369-I408 WeakPolarHBondContact CD1-O 3.45Å; L369-I408 HydrophobicContact CG-CD1 4.22Å; L369-I408 HydrophobicContact CG-CG1 4.09Å; M392-I408 HydrophobicContact CB-CG2 3.69Å; M392-I408 HydrophobicContact CE-CD1 4.48Å; M392-I408 HydrophobicContact CE-CG2 3.83Å; M392-I408 HydrophobicContact CG-CG2 3.95Å; M392-I408 WeakPolarHBondContact O-CG2 3.06Å; M392-I408 PolarHBondContact O-N 3.34Å
409	G	94.3	Very high	96.3	Very high	15 Å²	15	60.1 Å²	60.1	16%	0.155	32%	0.324	C	S	.	.			trans	101.9	168.2	-174.2	0	0	0	0	0	112.6	L369 M392	L369-G409 WeakPolarHBondContact CD1-O 3.18Å; M392-G409 WeakPolarHBondContact CB-O 3.43Å; M392-G409 PolarHBondContact O-N 2.97Å
410	T	94	Very high	96.3	Very high	59 Å²	59	54.7 Å²	54.7	36%	0.362	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-91.9	128.7	-176.9	-50.9	0	0	0	0	110.9	L389 D393 S412	L389-T410 HydrophobicContact CB-CG2 4Å; L389-T410 HydrophobicContact CD1-CG2 4.47Å; L389-T410 HydrophobicContact CD2-CG2 3.9Å; L389-T410 HydrophobicContact CG-CG2 4.32Å; D393-T410 VanDerWaalsContact CB-OG1 3.23Å; D393-T410 WeakPolarHBondContact CB-OG1 3.43Å; D393-T410 VanDerWaalsContact CG-OG1 3.29Å; T410-S412 PolarHBondContact O-N 3.47Å
411	P	94.9	Very high	96.4	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.013	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-53.1	133.9	164.6	-26.6	34.8	0	0	0	111.3	L369 F375 L389 M392 L413 F416	L369-P411 HydrophobicContact CD2-CG 4.33Å; F375-P411 HydrophobicContact CD1-CB 3.82Å; F375-P411 HydrophobicContact CD1-CG 4.19Å; F375-P411 HydrophobicContact CD2-CB 4.13Å; F375-P411 HydrophobicContact CE1-CB 3.82Å; F375-P411 HydrophobicContact CE1-CG 4.06Å; F375-P411 HydrophobicContact CE2-CB 4.14Å; F375-P411 HydrophobicContact CG-CB 3.97Å; F375-P411 HydrophobicContact CZ-CB 3.97Å; L389-P411 HydrophobicContact CD2-CG 4.18Å; M392-P411 HydrophobicContact CE-CG 3.8Å; M392-P411 HydrophobicContact SD-CG 4.38Å; P411-L413 PolarHBondContact O-N 3.39Å; P411-F416 HydrophobicContact CB-CD2 3.87Å; P411-F416 HydrophobicContact CB-CE2 4.25Å
412	S	94.8	Very high	96.5	Very high	60 Å²	60	46 Å²	46	42%	0.42	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-67.7	126.6	-177.1	-151	0	0	0	0	111.3	T410 D414 K415 F416	T410-S412 PolarHBondContact O-N 3.47Å; S412-D414 WeakPolarHBondContact CB-OD1 3.41Å; S412-D414 PolarHBondContact O-N 3.28Å; S412-D414 PolarHBondContact OG-OD1 3.06Å; S412-K415 PolarHBondContact O-N 3.44Å; S412-F416 PolarHBondContact O-N 2.88Å
413	L	95.4	Very high	96.7	Very high	77 Å²	77	44.6 Å²	44.6	40%	0.403	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.2	-174.7	-70.1	-179.9	0	0	0	113.5	R246 L389 P411 K415	R246-L413 PolarHBondContact NH2-O 3.09Å; L389-L413 HydrophobicContact CD1-CD2 3.84Å; P411-L413 PolarHBondContact O-N 3.39Å; L413-K415 PolarHBondContact O-N 2.65Å
414	D	97.1	Very high	96.8	Very high	105 Å²	105	41.2 Å²	41.2	56%	0.561	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-8.1	172.1	65.4	-54.3	0	0	0	113.4	S412 L418	S412-D414 WeakPolarHBondContact CB-OD1 3.41Å; S412-D414 PolarHBondContact O-N 3.28Å; S412-D414 PolarHBondContact OG-OD1 3.06Å; D414-L418 WeakPolarHBondContact O-CD1 3.48Å; D414-L418 WeakPolarHBondContact O-CD2 3.27Å
415	K	98.1	Very high	96.9	Very high	62 Å²	62	38.4 Å²	38.4	27%	0.27	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-8	175	-65.8	176.3	169.8	-172.9	0	113.4	I372 D373 F375 S412 L413 R443	I372-K415 PolarHBondContact O-NZ 3.17Å; I372-K415 VanDerWaalsContact O-NZ 3.11Å; D373-K415 WeakPolarHBondContact O-CB 3.48Å; D373-K415 WeakPolarHBondContact O-CD 3.38Å; D373-K415 WeakPolarHBondContact O-CG 3.3Å; F375-K415 HydrophobicContact CD2-CB 3.87Å; F375-K415 HydrophobicContact CE2-CB 4.36Å; F375-K415 HydrophobicContact CE2-CD 4.41Å; F375-K415 PolarHBondContact N-O 3.25Å; F375-K415 VanDerWaalsContact N-O 3.09Å; S412-K415 PolarHBondContact O-N 3.44Å; L413-K415 PolarHBondContact O-N 2.65Å; K415-R443 PolarHBondContact O-NH1 3Å; K415-R443 PolarHBondContact O-NH2 2.88Å
416	F	98.7	Very high	97	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-96.9	116.7	-166	-165.7	-84.9	0	0	0	112.8	F243 R246 F375 F377 I385 L389 P411 S412 L418	F243-F416 HydrophobicContact CE2-CD1 4.4Å; F243-F416 HydrophobicContact CE2-CE1 4.28Å; F243-F416 HydrophobicContact CZ-CD1 4.48Å; F243-F416 HydrophobicContact CZ-CE1 4.1Å; R246-F416 PolarHBondContact NH1-O 3.32Å; R246-F416 PolarHBondContact NH2-O 2.95Å; F375-F416 HydrophobicContact CB-CB 4.36Å; F375-F416 HydrophobicContact CB-CD2 3.63Å; F375-F416 HydrophobicContact CB-CE2 4.35Å; F375-F416 HydrophobicContact CB-CG 4.28Å; F375-F416 HydrophobicContact CG-CD2 4.31Å; F377-F416 HydrophobicContact CB-CE1 4.07Å; F377-F416 HydrophobicContact CB-CE2 3.88Å; F377-F416 HydrophobicContact CB-CZ 3.38Å; F377-F416 AromaticContact CD1-CE2 3.82Å; F377-F416 HydrophobicContact CD1-CE2 3.82Å; F377-F416 HydrophobicContact CD1-CZ 4.24Å; F377-F416 AromaticContact CD2-CE2 3.65Å; F377-F416 HydrophobicContact CD2-CE2 3.65Å; F377-F416 AromaticContact CD2-CZ 3.65Å; F377-F416 HydrophobicContact CD2-CZ 3.65Å; F377-F416 HydrophobicContact CE1-CE2 4.26Å; F377-F416 HydrophobicContact CE2-CE2 4.09Å; F377-F416 HydrophobicContact CE2-CZ 4.47Å; F377-F416 AromaticContact CG-CE2 3.51Å; F377-F416 HydrophobicContact CG-CE2 3.51Å; F377-F416 AromaticContact CG-CZ 3.51Å; F377-F416 HydrophobicContact CG-CZ 3.51Å; F377-F416 HydrophobicContact CZ-CE2 4.39Å; I385-F416 HydrophobicContact CD1-CE1 4.43Å; I385-F416 HydrophobicContact CD1-CZ 4.2Å; I385-F416 HydrophobicContact CG2-CE1 3.81Å; I385-F416 HydrophobicContact CG2-CZ 3.89Å; L389-F416 HydrophobicContact CD2-CE2 4.34Å; P411-F416 HydrophobicContact CB-CD2 3.87Å; P411-F416 HydrophobicContact CB-CE2 4.25Å; S412-F416 PolarHBondContact O-N 2.88Å; F416-L418 VanDerWaalsContact C-N 3.34Å; F416-L418 PolarHBondContact O-N 3.08Å
417	N	98.7	Very high	97.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	50.3	48.4	175.5	-60.6	8.2	0	0	0	113.3	F375 E376 F377 E379 W419 G420	F375-N417 PolarHBondContact O-N 3.31Å; F375-N417 PolarHBondContact O-OD1 3.45Å; E376-N417 VanDerWaalsContact CA-OD1 3.24Å; E376-N417 WeakPolarHBondContact CA-OD1 3.43Å; E376-N417 WeakPolarHBondContact OE1-CA 3.45Å; F377-N417 PolarHBondContact N-OD1 3.43Å; F377-N417 PolarHBondContact O-ND2 2.75Å; E379-N417 VanDerWaalsContact CD-ND2 3.31Å; E379-N417 WeakPolarHBondContact CG-ND2 3.28Å; E379-N417 WeakPolarHBondContact OE1-CB 3.43Å; E379-N417 PolarHBondContact OE1-ND2 2.72Å; N417-W419 PolarHBondContact O-N 3.46Å; N417-G420 PolarHBondContact O-N 3.48Å
418	L	98.6	Very high	97.2	Very high	44 Å²	44	22.9 Å²	22.9	23%	0.23	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.7	-173.2	-62.8	-175.3	0	0	0	114	D414 F416 G420 R443	D414-L418 WeakPolarHBondContact O-CD1 3.48Å; D414-L418 WeakPolarHBondContact O-CD2 3.27Å; F416-L418 VanDerWaalsContact C-N 3.34Å; F416-L418 PolarHBondContact O-N 3.08Å; L418-G420 VanDerWaalsContact C-N 3.33Å; L418-R443 VanDerWaalsContact CB-CZ 3.48Å; L418-R443 VanDerWaalsContact N-NH1 3.1Å
419	W	98.6	Very high	97.2	Very high	10 Å²	10	22.5 Å²	22.5	4%	0.038	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	22	174.9	-62.5	1.1	0	0	0	112.1	A254 L259 L260 N417 T439 H442 R443 K446 E447	A254-W419 HydrophobicContact CB-CB 3.8Å; A254-W419 HydrophobicContact CB-CG 4.1Å; L259-W419 HydrophobicContact CB-CD2 3.98Å; L259-W419 HydrophobicContact CB-CE3 4.09Å; L259-W419 HydrophobicContact CB-CH2 4.43Å; L259-W419 HydrophobicContact CB-CZ2 4.3Å; L259-W419 HydrophobicContact CB-CZ3 4.31Å; L259-W419 HydrophobicContact CD1-CD2 4.27Å; L259-W419 HydrophobicContact CD1-CG 4.4Å; L259-W419 HydrophobicContact CD1-CZ2 4.24Å; L259-W419 HydrophobicContact CD2-CZ2 4.47Å; L259-W419 WeakPolarHBondContact O-CZ3 3.4Å; L260-W419 HydrophobicContact CD2-CB 4.34Å; N417-W419 PolarHBondContact O-N 3.46Å; W419-T439 HydrophobicContact CE3-CG2 4.09Å; W419-H442 HydrophobicContact CH2-CB 3.85Å; W419-H442 HydrophobicContact CZ3-CB 3.57Å; W419-R443 HydrophobicContact CD2-CG 3.48Å; W419-R443 VanDerWaalsContact CD2-CG 3.48Å; W419-R443 VanDerWaalsContact CE2-CG 3.42Å; W419-R443 HydrophobicContact CE3-CG 3.68Å; W419-R443 HydrophobicContact CG-CG 4.09Å; W419-R443 HydrophobicContact CH2-CB 4.39Å; W419-R443 HydrophobicContact CH2-CG 3.72Å; W419-R443 HydrophobicContact CZ2-CB 4.31Å; W419-R443 HydrophobicContact CZ2-CG 3.55Å; W419-R443 HydrophobicContact CZ3-CG 3.8Å; W419-K446 HydrophobicContact CH2-CB 4.03Å; W419-K446 HydrophobicContact CH2-CD 3.69Å; W419-K446 HydrophobicContact CH2-CG 4.08Å; W419-K446 HydrophobicContact CZ2-CB 3.93Å; W419-K446 HydrophobicContact CZ2-CD 4Å; W419-K446 HydrophobicContact CZ2-CG 4.4Å; W419-E447 HydrophobicContact CZ2-CG 4.43Å; W419-E447 PolarHBondContact NE1-OE1 2.93Å
420	G	98.3	Very high	97.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.			trans	77.7	166.1	-171.3	0	0	0	0	0	112.4	N417 L418	N417-G420 PolarHBondContact O-N 3.48Å; L418-G420 VanDerWaalsContact C-N 3.33Å
421	G	98.1	Very high	97.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.			trans	-132.9	-162.4	179.4	0	0	0	0	0	112.9	S247 E379 L423 S424 L425	S247-G421 PolarHBondContact OG-N 3.29Å; E379-G421 VanDerWaalsContact CD-CA 3.42Å; E379-G421 WeakPolarHBondContact OE2-CA 3.47Å; E379-G421 PolarHBondContact OE2-N 2.62Å; G421-L423 PolarHBondContact O-N 2.98Å; G421-S424 PolarHBondContact N-OG 2.95Å; G421-S424 PolarHBondContact O-N 2.9Å; G421-S424 VanDerWaalsContact O-N 3.16Å; G421-S424 PolarHBondContact O-OG 3.2Å; G421-S424 VanDerWaalsContact O-OG 3.09Å; G421-L425 WeakPolarHBondContact O-CB 3.5Å; G421-L425 WeakPolarHBondContact O-CG 3.21Å; G421-L425 PolarHBondContact O-N 3.43Å
422	S	98.4	Very high	97.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.1	-25.3	-172.7	-48.3	0	0	0	0	113.9	H378 E379 S424 G426 R435	H378-S422 PolarHBondContact CD2-OG 3.2Å; E379-S422 WeakPolarHBondContact O-CB 3.35Å; E379-S422 PolarHBondContact OE2-N 3Å; S422-S424 PolarHBondContact O-N 2.89Å; S422-G426 CarbonylContact O-C 3.27Å; S422-G426 VanDerWaalsContact O-C 3.27Å; S422-G426 VanDerWaalsContact O-CA 3.24Å; S422-G426 WeakPolarHBondContact O-CA 3.4Å; S422-G426 PolarHBondContact O-N 3.48Å; S422-R435 PolarHBondContact OG-NH2 3.29Å
423	L	98.1	Very high	97.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.1	-35.2	179.1	-172.5	153.8	0	0	0	110.5	A244 E379 A382 G421	A244-L423 HydrophobicContact CB-CD1 3.95Å; A244-L423 HydrophobicContact CB-CD2 3.77Å; E379-L423 HydrophobicContact CB-CB 3.82Å; E379-L423 PolarHBondContact O-N 3.44Å; E379-L423 VanDerWaalsContact OE2-CB 3.26Å; E379-L423 WeakPolarHBondContact OE2-CB 3.24Å; E379-L423 PolarHBondContact OE2-N 3.27Å; A382-L423 HydrophobicContact CB-CD1 3.87Å; G421-L423 PolarHBondContact O-N 2.98Å
424	S	98.4	Very high	97.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-101.6	-40.1	-177	51.7	0	0	0	0	114.5	S247 H248 A251 G279 I280 G421 S422	S247-S424 PolarHBondContact O-OG 2.74Å; S247-S424 WeakPolarHBondContact OG-CB 3.21Å; S247-S424 PolarHBondContact OG-OG 3.32Å; H248-S424 WeakPolarHBondContact ND1-CB 3.23Å; A251-S424 WeakPolarHBondContact CB-OG 3.36Å; G279-S424 CarbonylContact C-O 3.07Å; G279-S424 WeakPolarHBondContact CA-O 3.35Å; I280-S424 PolarHBondContact N-O 2.8Å; G421-S424 PolarHBondContact N-OG 2.95Å; G421-S424 PolarHBondContact O-N 2.9Å; G421-S424 VanDerWaalsContact O-N 3.16Å; G421-S424 PolarHBondContact O-OG 3.2Å; G421-S424 VanDerWaalsContact O-OG 3.09Å; S422-S424 PolarHBondContact O-N 2.89Å
425	L	98.5	Very high	98	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.01	4%	0.035	C	C	.	.	H	α-helix	trans	-81.6	-30.6	-179.4	-59.6	176.5	0	0	0	112.4	F63 A251 L260 I280 G421	F63-L425 WeakPolarHBondContact CB-O 3.23Å; A251-L425 HydrophobicContact CB-CD2 3.85Å; A251-L425 HydrophobicContact CB-CG 4.41Å; L260-L425 HydrophobicContact CD1-CD2 3.89Å; I280-L425 HydrophobicContact CD1-CD2 3.85Å; I280-L425 HydrophobicContact CG1-CD2 4.17Å; G421-L425 WeakPolarHBondContact O-CB 3.5Å; G421-L425 WeakPolarHBondContact O-CG 3.21Å; G421-L425 PolarHBondContact O-N 3.43Å
426	G	98.2	Very high	98	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.023	C	C	.	.			trans	115.3	160.3	-175.6	0	0	0	0	0	113.7	F309 T311 S422	F309-G426 VanDerWaalsContact CZ-CA 3.48Å; T311-G426 VanDerWaalsContact OG1-CA 3.3Å; T311-G426 WeakPolarHBondContact OG1-CA 3.38Å; S422-G426 CarbonylContact O-C 3.27Å; S422-G426 VanDerWaalsContact O-C 3.27Å; S422-G426 VanDerWaalsContact O-CA 3.24Å; S422-G426 WeakPolarHBondContact O-CA 3.4Å; S422-G426 PolarHBondContact O-N 3.48Å
427	H	98.1	Very high	98	Very high	6 Å²	6	4.7 Å²	4.7	3%	0.028	2%	0.023	C	C	.	.			trans	-130.4	75.2	-178	-176.5	30.7	0	0	0	112.9	C137 T311 H378 F429 T432	C137-H427 PolarHBondContact SG-NE2 3.34Å; T311-H427 PolarHBondContact OG1-N 3.31Å; H378-H427 AromaticContact CD2-CE1 3.84Å; H378-H427 AromaticContact CD2-ND1 3.84Å; H378-H427 AromaticContact CE1-CD2 3.56Å; H378-H427 AromaticContact CE1-CE1 3.45Å; H378-H427 PolarHBondContact CE1-CE1 2.82Å; H378-H427 VanDerWaalsContact CE1-CE1 3.45Å; H378-H427 AromaticContact CE1-CG 3.99Å; H378-H427 AromaticContact CE1-ND1 3.94Å; H378-H427 AromaticContact CE1-NE2 3.19Å; H378-H427 PolarHBondContact CE1-NE2 3.46Å; H378-H427 AromaticContact NE2-CD2 3.26Å; H378-H427 PolarHBondContact NE2-CD2 2.87Å; H378-H427 VanDerWaalsContact NE2-CD2 3.26Å; H378-H427 AromaticContact NE2-CE1 3.03Å; H378-H427 PolarHBondContact NE2-CE1 3.17Å; H378-H427 AromaticContact NE2-CG 3.22Å; H378-H427 AromaticContact NE2-ND1 3.09Å; H378-H427 PolarHBondContact NE2-ND1 3.31Å; H378-H427 AromaticContact NE2-NE2 3.15Å; H378-H427 PolarHBondContact NE2-NE2 3.18Å; H378-H427 VanDerWaalsContact NE2-NE2 3.15Å; H427-F429 AromaticContact CD2-CD1 3.54Å; H427-F429 AromaticContact CD2-CE1 3.79Å; H427-F429 AromaticContact CE1-CD1 3.96Å; H427-F429 AromaticContact NE2-CD1 3.4Å; H427-F429 WeakPolarHBondContact NE2-CD1 3.33Å; H427-F429 PolarHBondContact O-N 2.94Å; H427-T432 WeakPolarHBondContact ND1-CB 3.42Å; H427-T432 PolarHBondContact ND1-OG1 3.34Å
428	P	97.8	Very high	98	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.023	C	C	.	.			trans	-69.6	110.9	163.9	-5.4	21	0	0	0	107.5	F63 E165 T311 G430 A431 T432	F63-P428 HydrophobicContact CB-CG 4.47Å; F63-P428 HydrophobicContact CD1-CG 3.8Å; F63-P428 HydrophobicContact CD2-CG 3.59Å; F63-P428 HydrophobicContact CE1-CG 3.82Å; F63-P428 HydrophobicContact CE2-CG 3.61Å; F63-P428 HydrophobicContact CG-CG 3.69Å; F63-P428 HydrophobicContact CZ-CG 3.72Å; E165-P428 HydrophobicContact CB-CB 3.6Å; T311-P428 HydrophobicContact CG2-CG 3.75Å; T311-P428 WeakPolarHBondContact O-CA 3.26Å; P428-G430 PolarHBondContact O-N 3Å; P428-A431 HydrophobicContact CB-CB 4.04Å; P428-A431 HydrophobicContact CG-CB 4.47Å; P428-A431 PolarHBondContact O-N 3.33Å; P428-T432 WeakPolarHBondContact CD-OG1 3.34Å; P428-T432 PolarHBondContact O-N 3.15Å; P428-T432 VanDerWaalsContact O-N 3.1Å; P428-T432 PolarHBondContact O-OG1 3.19Å
429	F	93.8	Very high	98	Very high	30 Å²	30	2.9 Å²	2.9	13%	0.132	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-52.3	-166.5	-51.5	-40.5	0	0	0	112.7	V105 I106 C137 E165 M167 V213 H427 A431	V105-F429 HydrophobicContact CB-CB 4.19Å; V105-F429 HydrophobicContact CB-CD2 4.32Å; V105-F429 HydrophobicContact CG2-CB 3.61Å; I106-F429 HydrophobicContact CD1-CE2 4.47Å; C137-F429 CarbonylContact C-O 3.57Å; E165-F429 HydrophobicContact CG-CB 3.98Å; E165-F429 HydrophobicContact CG-CD2 3.96Å; E165-F429 HydrophobicContact CG-CG 4.14Å; E165-F429 WeakPolarHBondContact OE2-CB 3.35Å; M167-F429 HydrophobicContact CE-CE2 3.56Å; M167-F429 HydrophobicContact CE-CZ 3.59Å; M167-F429 HydrophobicContact SD-CE2 4.03Å; M167-F429 HydrophobicContact SD-CZ 3.97Å; V213-F429 HydrophobicContact CG1-CZ 4.03Å; H427-F429 AromaticContact CD2-CD1 3.54Å; H427-F429 AromaticContact CD2-CE1 3.79Å; H427-F429 AromaticContact CE1-CD1 3.96Å; H427-F429 AromaticContact NE2-CD1 3.4Å; H427-F429 WeakPolarHBondContact NE2-CD1 3.33Å; H427-F429 PolarHBondContact O-N 2.94Å; F429-A431 VanDerWaalsContact C-N 3.34Å; F429-A431 PolarHBondContact O-N 2.96Å
430	G	94.4	Very high	98	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.8	178	0	0	0	0	0	115.6	S140 G163 E165 P428	S140-G430 WeakPolarHBondContact CA-O 3.38Å; S140-G430 WeakPolarHBondContact CB-O 3.16Å; S140-G430 PolarHBondContact N-O 3.04Å; S140-G430 VanDerWaalsContact N-O 3.13Å; S140-G430 PolarHBondContact OG-O 3.27Å; G163-G430 WeakPolarHBondContact CA-O 3.44Å; E165-G430 PolarHBondContact OE2-N 3.37Å; P428-G430 PolarHBondContact O-N 3Å
431	A	98.3	Very high	98	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-15.8	-167.8	0	0	0	0	0	115.3	F63 S140 G163 S315 P428 F429 G433	F63-A431 HydrophobicContact CE1-CB 4.32Å; F63-A431 HydrophobicContact CZ-CB 3.97Å; S140-A431 VanDerWaalsContact OG-C 3.31Å; G163-A431 WeakPolarHBondContact O-CB 3.25Å; S315-A431 WeakPolarHBondContact CB-O 3.32Å; S315-A431 WeakPolarHBondContact OG-CA 3.47Å; S315-A431 PolarHBondContact OG-O 2.83Å; P428-A431 HydrophobicContact CB-CB 4.04Å; P428-A431 HydrophobicContact CG-CB 4.47Å; P428-A431 PolarHBondContact O-N 3.33Å; F429-A431 VanDerWaalsContact C-N 3.34Å; F429-A431 PolarHBondContact O-N 2.96Å; A431-G433 PolarHBondContact O-N 3.45Å
432	T	98.7	Very high	98	Very high	1 Å²	1	2.7 Å²	2.7	1%	0.006	1%	0.013	C	C	.	.	H	α-helix	trans	-69.1	-31.8	-167	-61.2	0	0	0	0	113.9	H427 P428 C434 R435 L436	H427-T432 WeakPolarHBondContact ND1-CB 3.42Å; H427-T432 PolarHBondContact ND1-OG1 3.34Å; P428-T432 WeakPolarHBondContact CD-OG1 3.34Å; P428-T432 PolarHBondContact O-N 3.15Å; P428-T432 VanDerWaalsContact O-N 3.1Å; P428-T432 PolarHBondContact O-OG1 3.19Å; T432-C434 PolarHBondContact O-N 3.34Å; T432-R435 WeakPolarHBondContact O-CB 3.45Å; T432-R435 PolarHBondContact O-N 3.45Å; T432-L436 HydrophobicContact CG2-CD1 4.27Å; T432-L436 HydrophobicContact CG2-CG 4.38Å; T432-L436 WeakPolarHBondContact O-CG 3.49Å; T432-L436 PolarHBondContact O-N 3.41Å; T432-L436 VanDerWaalsContact O-N 3.09Å
433	G	98.5	Very high	98.1	Very high	1 Å²	1	2.7 Å²	2.7	1%	0.01	1%	0.013	C	C	.	.	H	α-helix	trans	-59.3	-45.7	-178.9	0	0	0	0	0	113.8	S140 N141 A431 R435 L436 V437	S140-G433 WeakPolarHBondContact OG-CA 3.4Å; S140-G433 PolarHBondContact OG-N 3.05Å; N141-G433 WeakPolarHBondContact OD1-CA 3.21Å; A431-G433 PolarHBondContact O-N 3.45Å; G433-R435 VanDerWaalsContact C-N 3.34Å; G433-R435 PolarHBondContact O-N 3.39Å; G433-L436 PolarHBondContact O-N 3.47Å; G433-V437 PolarHBondContact O-N 3.32Å
434	C	98.8	Very high	98.1	Very high	1 Å²	1	2.9 Å²	2.9	1%	0.007	1%	0.014	C	C	.	.	H	α-helix	trans	-65.7	-36	176.9	-71.5	0	0	0	0	112.3	M144 S315 V317 T432 V437 T438	M144-C434 HydrophobicContact CE-CB 4.48Å; M144-C434 HydrophobicContact SD-CB 4.34Å; M144-C434 VanDerWaalsContact SD-SG 3.6Å; S315-C434 WeakPolarHBondContact OG-CB 3.38Å; V317-C434 HydrophobicContact CG1-CB 3.89Å; T432-C434 PolarHBondContact O-N 3.34Å; C434-V437 PolarHBondContact O-N 3.21Å; C434-T438 WeakPolarHBondContact O-CB 3.1Å; C434-T438 PolarHBondContact O-N 3.22Å; C434-T438 PolarHBondContact O-OG1 3.07Å
435	R	98.7	Very high	98	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.008	4%	0.038	C	C	.	.	H	α-helix	trans	-59.1	-50.7	174.2	-176.3	-86.6	-64.9	176.2	0.6	110.1	F63 D262 E376 S422 T432 G433 V437 T438 T439	F63-R435 HydrophobicContact CE2-CB 4.33Å; F63-R435 HydrophobicContact CE2-CG 4.49Å; F63-R435 HydrophobicContact CZ-CB 4.32Å; D262-R435 WeakPolarHBondContact OD2-CG 3.48Å; E376-R435 IonicContact OE2-NH1 3Å; S422-R435 PolarHBondContact OG-NH2 3.29Å; T432-R435 WeakPolarHBondContact O-CB 3.45Å; T432-R435 PolarHBondContact O-N 3.45Å; G433-R435 VanDerWaalsContact C-N 3.34Å; G433-R435 PolarHBondContact O-N 3.39Å; R435-V437 PolarHBondContact O-N 2.9Å; R435-T438 PolarHBondContact O-N 3.45Å; R435-T439 WeakPolarHBondContact CD-OG1 3.42Å; R435-T439 WeakPolarHBondContact O-CB 3.45Å; R435-T439 PolarHBondContact O-N 2.91Å; R435-T439 PolarHBondContact O-OG1 3.47Å
436	L	98.8	Very high	97.9	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-56.1	-49.4	-179.4	-67	166.7	0	0	0	111.9	E376 H378 T432 G433 T438 T439 V440 V454	E376-L436 HydrophobicContact CB-CD2 4.28Å; H378-L436 HydrophobicContact CB-CD1 4.06Å; T432-L436 HydrophobicContact CG2-CD1 4.27Å; T432-L436 HydrophobicContact CG2-CG 4.38Å; T432-L436 WeakPolarHBondContact O-CG 3.49Å; T432-L436 PolarHBondContact O-N 3.41Å; T432-L436 VanDerWaalsContact O-N 3.09Å; G433-L436 PolarHBondContact O-N 3.47Å; L436-T438 VanDerWaalsContact C-N 3.34Å; L436-T438 PolarHBondContact O-N 3.26Å; L436-T439 PolarHBondContact O-N 3.42Å; L436-V440 WeakPolarHBondContact O-CG2 3.42Å; L436-V440 PolarHBondContact O-N 2.88Å; L436-V454 HydrophobicContact CB-CG2 3.52Å; L436-V454 HydrophobicContact CD1-CG2 4.08Å; L436-V454 HydrophobicContact CG-CG2 4.37Å
437	V	98.8	Very high	97.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.1	-42.4	179.3	173.1	0	0	0	0	112	L55 M144 L336 G433 C434 R435 V440 A441 V454 M466 I468	L55-V437 HydrophobicContact CD2-CG1 4.26Å; M144-V437 HydrophobicContact CE-CB 4.13Å; M144-V437 HydrophobicContact CE-CG2 3.54Å; M144-V437 HydrophobicContact SD-CB 4.11Å; M144-V437 HydrophobicContact SD-CG1 4.24Å; M144-V437 HydrophobicContact SD-CG2 4.07Å; L336-V437 HydrophobicContact CD2-CG1 3.96Å; G433-V437 PolarHBondContact O-N 3.32Å; C434-V437 PolarHBondContact O-N 3.21Å; R435-V437 PolarHBondContact O-N 2.9Å; V437-V440 PolarHBondContact O-N 3.1Å; V437-A441 PolarHBondContact O-N 2.78Å; V437-A441 VanDerWaalsContact O-N 3.09Å; V437-V454 HydrophobicContact CG2-CB 4.46Å; V437-V454 HydrophobicContact CG2-CG1 3.89Å; V437-V454 HydrophobicContact CG2-CG2 4.39Å; V437-M466 HydrophobicContact CB-CE 4.38Å; V437-M466 HydrophobicContact CG1-CE 4.16Å; V437-M466 HydrophobicContact CG2-CE 3.28Å; V437-I468 HydrophobicContact CG1-CD1 3.83Å
438	T	98.8	Very high	97.7	Very high	2 Å²	2	18 Å²	18	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-63.6	-44.2	177.5	-55.7	0	0	0	0	110.8	D262 C434 R435 L436 V440 A441 H442	D262-T438 HydrophobicContact CB-CG2 3.78Å; C434-T438 WeakPolarHBondContact O-CB 3.1Å; C434-T438 PolarHBondContact O-N 3.22Å; C434-T438 PolarHBondContact O-OG1 3.07Å; R435-T438 PolarHBondContact O-N 3.45Å; L436-T438 VanDerWaalsContact C-N 3.34Å; L436-T438 PolarHBondContact O-N 3.26Å; T438-V440 PolarHBondContact O-N 3.49Å; T438-A441 PolarHBondContact O-N 2.8Å; T438-H442 PolarHBondContact O-CD2 2.91Å; T438-H442 PolarHBondContact O-N 3.21Å
439	T	98.7	Very high	97.6	Very high	4 Å²	4	19.5 Å²	19.5	3%	0.025	11%	0.109	C	C	.	.	H	α-helix	trans	-60.4	-43.2	175.4	-55.6	0	0	0	0	111.4	E376 W419 R435 L436 A441 H442 R443	E376-T439 HydrophobicContact CG-CG2 4.1Å; W419-T439 HydrophobicContact CE3-CG2 4.09Å; R435-T439 WeakPolarHBondContact CD-OG1 3.42Å; R435-T439 WeakPolarHBondContact O-CB 3.45Å; R435-T439 PolarHBondContact O-N 2.91Å; R435-T439 PolarHBondContact O-OG1 3.47Å; L436-T439 PolarHBondContact O-N 3.42Å; T439-A441 PolarHBondContact O-N 2.99Å; T439-H442 PolarHBondContact O-N 2.74Å; T439-R443 HydrophobicContact CG2-CG 4.18Å; T439-R443 WeakPolarHBondContact O-CB 3.26Å; T439-R443 WeakPolarHBondContact O-CG 3.02Å; T439-R443 PolarHBondContact O-N 3.46Å
440	V	98.7	Very high	97.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-57.8	-49.3	175.1	174.2	0	0	0	0	111.2	V374 E376 L436 V437 T438 H442 R443 L444 V454 I468	V374-V440 HydrophobicContact CG1-CG1 4.26Å; V374-V440 HydrophobicContact CG1-CG2 4.39Å; E376-V440 HydrophobicContact CB-CG2 3.39Å; E376-V440 HydrophobicContact CG-CB 4.46Å; E376-V440 HydrophobicContact CG-CG2 3.42Å; E376-V440 VanDerWaalsContact CG-CG2 3.42Å; L436-V440 WeakPolarHBondContact O-CG2 3.42Å; L436-V440 PolarHBondContact O-N 2.88Å; V437-V440 PolarHBondContact O-N 3.1Å; T438-V440 PolarHBondContact O-N 3.49Å; V440-H442 VanDerWaalsContact C-N 3.31Å; V440-H442 PolarHBondContact O-N 2.95Å; V440-R443 PolarHBondContact O-N 3.4Å; V440-L444 HydrophobicContact CG1-CD1 3.81Å; V440-L444 HydrophobicContact CG1-CG 4.23Å; V440-L444 WeakPolarHBondContact O-CB 3.39Å; V440-L444 WeakPolarHBondContact O-CG 3.41Å; V440-L444 PolarHBondContact O-N 3.48Å; V440-V454 HydrophobicContact CG2-CB 4.35Å; V440-I468 HydrophobicContact CB-CG1 4.3Å; V440-I468 HydrophobicContact CG1-CB 3.68Å; V440-I468 HydrophobicContact CG1-CG1 3.87Å; V440-I468 HydrophobicContact CG1-CG2 3.97Å
441	A	98.4	Very high	97.9	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-61	-41.1	-179.5	0	0	0	0	0	111.8	L55 K333 A334 V437 T438 T439 K445	L55-A441 HydrophobicContact CD2-CB 3.87Å; K333-A441 HydrophobicContact CB-CB 4.34Å; A334-A441 HydrophobicContact CB-CB 3.74Å; V437-A441 PolarHBondContact O-N 2.78Å; V437-A441 VanDerWaalsContact O-N 3.09Å; T438-A441 PolarHBondContact O-N 2.8Å; T439-A441 PolarHBondContact O-N 2.99Å; A441-K445 PolarHBondContact O-N 3.45Å
442	H	98.3	Very high	97.9	Very high	6 Å²	6	20.5 Å²	20.5	3%	0.028	11%	0.114	C	C	.	.	H	α-helix	trans	-69.1	-40.7	177.1	-66.9	-178	0	0	0	112.1	E57 K333 W419 T438 T439 V440 K445 K446	E57-H442 IonicContact OE1-NE2 3.26Å; K333-H442 PolarHBondContact NZ-NE2 3.23Å; W419-H442 HydrophobicContact CH2-CB 3.85Å; W419-H442 HydrophobicContact CZ3-CB 3.57Å; T438-H442 PolarHBondContact O-CD2 2.91Å; T438-H442 PolarHBondContact O-N 3.21Å; T439-H442 PolarHBondContact O-N 2.74Å; V440-H442 VanDerWaalsContact C-N 3.31Å; V440-H442 PolarHBondContact O-N 2.95Å; H442-K445 PolarHBondContact O-N 3.29Å; H442-K446 WeakPolarHBondContact O-CB 3.48Å; H442-K446 PolarHBondContact O-N 3.23Å
443	R	98.5	Very high	97.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.5	-47	177.2	-76.9	-171.2	67.5	-145.3	-20.4	111.8	V374 F375 E376 K415 L418 W419 T439 V440 K445 K446 E447	V374-R443 HydrophobicContact CG1-CB 3.89Å; V374-R443 HydrophobicContact CG2-CB 4.13Å; F375-R443 PolarHBondContact O-NH1 3.44Å; E376-R443 WeakPolarHBondContact OE1-CD 3.25Å; E376-R443 IonicContact OE1-CZ 3.62Å; E376-R443 IonicContact OE1-NE 3.72Å; E376-R443 IonicContact OE1-NH1 2.72Å; E376-R443 PolarHBondContact OE1-NH1 2.6Å; K415-R443 PolarHBondContact O-NH1 3Å; K415-R443 PolarHBondContact O-NH2 2.88Å; L418-R443 VanDerWaalsContact CB-CZ 3.48Å; L418-R443 VanDerWaalsContact N-NH1 3.1Å; W419-R443 HydrophobicContact CD2-CG 3.48Å; W419-R443 VanDerWaalsContact CD2-CG 3.48Å; W419-R443 VanDerWaalsContact CE2-CG 3.42Å; W419-R443 HydrophobicContact CE3-CG 3.68Å; W419-R443 HydrophobicContact CG-CG 4.09Å; W419-R443 HydrophobicContact CH2-CB 4.39Å; W419-R443 HydrophobicContact CH2-CG 3.72Å; W419-R443 HydrophobicContact CZ2-CB 4.31Å; W419-R443 HydrophobicContact CZ2-CG 3.55Å; W419-R443 HydrophobicContact CZ3-CG 3.8Å; T439-R443 HydrophobicContact CG2-CG 4.18Å; T439-R443 WeakPolarHBondContact O-CB 3.26Å; T439-R443 WeakPolarHBondContact O-CG 3.02Å; T439-R443 PolarHBondContact O-N 3.46Å; V440-R443 PolarHBondContact O-N 3.4Å; R443-K445 PolarHBondContact O-N 3.28Å; R443-K446 PolarHBondContact O-N 3.12Å; R443-E447 IonicContact CZ-OE1 2.67Å; R443-E447 IonicContact CZ-OE2 2.62Å; R443-E447 IonicContact NE-OE1 3.69Å; R443-E447 PolarHBondContact NE-OE1 2.84Å; R443-E447 IonicContact NE-OE2 3.71Å; R443-E447 PolarHBondContact NE-OE2 2.95Å; R443-E447 IonicContact NH2-OE1 3.87Å; R443-E447 IonicContact NH2-OE2 3.22Å; R443-E447 PolarHBondContact NH2-OE2 3.04Å; R443-E447 VanDerWaalsContact O-CB 3.29Å; R443-E447 WeakPolarHBondContact O-CB 3.31Å; R443-E447 PolarHBondContact O-N 2.98Å
444	L	98.1	Very high	97.9	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-56	-38.2	174.6	-73.3	171.3	0	0	0	112	D373 V374 V440 G448 I468 A470	D373-L444 HydrophobicContact CB-CD2 4.39Å; V374-L444 HydrophobicContact CB-CD2 4.06Å; V374-L444 HydrophobicContact CB-CG 4.32Å; V374-L444 HydrophobicContact CG2-CD2 3.65Å; V374-L444 HydrophobicContact CG2-CG 4.02Å; V440-L444 HydrophobicContact CG1-CD1 3.81Å; V440-L444 HydrophobicContact CG1-CG 4.23Å; V440-L444 WeakPolarHBondContact O-CB 3.39Å; V440-L444 WeakPolarHBondContact O-CG 3.41Å; V440-L444 PolarHBondContact O-N 3.48Å; L444-G448 CarbonylContact O-C 3.51Å; L444-G448 VanDerWaalsContact O-CA 3.24Å; L444-G448 WeakPolarHBondContact O-CA 3.41Å; L444-G448 PolarHBondContact O-N 3.2Å; L444-I468 HydrophobicContact CD1-CB 4.49Å; L444-I468 HydrophobicContact CD1-CG2 4.13Å; L444-A470 HydrophobicContact CB-CB 4.16Å; L444-A470 HydrophobicContact CD1-CB 4.35Å
445	K	96.9	Very high	97.9	Very high	116 Å²	116	20.4 Å²	20.4	50%	0.504	11%	0.113	S	C	.	.	H	α-helix	trans	-71.5	-44.6	177	-178.2	171.2	175.8	162.5	0	113.1	A441 H442 R443 Q473	A441-K445 PolarHBondContact O-N 3.45Å; H442-K445 PolarHBondContact O-N 3.29Å; R443-K445 PolarHBondContact O-N 3.28Å; K445-Q473 VanDerWaalsContact CE-OE1 3.32Å
446	K	97.3	Very high	97.9	Very high	84 Å²	84	20.3 Å²	20.3	37%	0.365	11%	0.113	S	C	.	.	H	α-helix	trans	-85.5	-37.7	-173.2	-71.9	-161.8	-179	-177.7	0	114.2	L259 E261 W419 H442 R443	L259-K446 HydrophobicContact CD2-CD 3.87Å; E261-K446 VanDerWaalsContact CD-NZ 3.32Å; E261-K446 WeakPolarHBondContact OE1-CE 3.44Å; E261-K446 IonicContact OE1-NZ 2.74Å; E261-K446 PolarHBondContact OE1-NZ 2.82Å; W419-K446 HydrophobicContact CH2-CB 4.03Å; W419-K446 HydrophobicContact CH2-CD 3.69Å; W419-K446 HydrophobicContact CH2-CG 4.08Å; W419-K446 HydrophobicContact CZ2-CB 3.93Å; W419-K446 HydrophobicContact CZ2-CD 4Å; W419-K446 HydrophobicContact CZ2-CG 4.4Å; H442-K446 WeakPolarHBondContact O-CB 3.48Å; H442-K446 PolarHBondContact O-N 3.23Å; R443-K446 PolarHBondContact O-N 3.12Å
447	E	96.9	Very high	97.8	Very high	80 Å²	80	20.3 Å²	20.3	37%	0.374	11%	0.113	S	C	.	.	H	α-helix	trans	-90.3	-15.7	-179.2	-59.1	176.9	-175.1	0	0	111.7	W419 R443	W419-E447 HydrophobicContact CZ2-CG 4.43Å; W419-E447 PolarHBondContact NE1-OE1 2.93Å; R443-E447 IonicContact CZ-OE1 2.67Å; R443-E447 IonicContact CZ-OE2 2.62Å; R443-E447 IonicContact NE-OE1 3.69Å; R443-E447 PolarHBondContact NE-OE1 2.84Å; R443-E447 IonicContact NE-OE2 3.71Å; R443-E447 PolarHBondContact NE-OE2 2.95Å; R443-E447 IonicContact NH2-OE1 3.87Å; R443-E447 IonicContact NH2-OE2 3.22Å; R443-E447 PolarHBondContact NH2-OE2 3.04Å; R443-E447 VanDerWaalsContact O-CB 3.29Å; R443-E447 WeakPolarHBondContact O-CB 3.31Å; R443-E447 PolarHBondContact O-N 2.98Å
448	G	94.6	Very high	97.8	Very high	44 Å²	44	20.3 Å²	20.3	45%	0.454	11%	0.113	S	C	.	.			trans	78.6	156.7	-169.9	0	0	0	0	0	111.7	L444	L444-G448 CarbonylContact O-C 3.51Å; L444-G448 VanDerWaalsContact O-CA 3.24Å; L444-G448 WeakPolarHBondContact O-CA 3.41Å; L444-G448 PolarHBondContact O-N 3.2Å
449	G	95.1	Very high	97.5	Very high	32 Å²	32	21.3 Å²	21.3	33%	0.33	12%	0.122	S	C	.	.			trans	136.8	171.8	-174.2	0	0	0	0	0	110.8	D373	D373-G449 WeakPolarHBondContact OD2-CA 3.31Å
450	Q	96.8	Very high	97.3	Very high	48 Å²	48	22.4 Å²	22.4	22%	0.224	13%	0.134	C	C	.	.	S	Bend	trans	-124.3	-40.2	177.6	-173.2	168.2	-8.5	0	0	112.4	K42 D373 E469 A470	K42-Q450 HydrophobicContact CD-CB 3.61Å; K42-Q450 HydrophobicContact CD-CG 4.41Å; D373-Q450 PolarHBondContact OD2-N 2.74Å; Q450-E469 HydrophobicContact CG-CG 4.08Å; Q450-E469 PolarHBondContact NE2-OE1 3.36Å; Q450-E469 CarbonylContact O-C 3.52Å; Q450-E469 VanDerWaalsContact O-CA 3.26Å; Q450-E469 WeakPolarHBondContact O-CA 3.31Å; Q450-A470 PolarHBondContact O-N 3.43Å
451	Y	98.3	Very high	97	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.016	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.5	-177.3	-54.2	-60.3	0	0	0	111.6	K42 K43 L45 L367 D371 D373 V374 I468 E469	K42-Y451 HydrophobicContact CB-CE2 4.25Å; K42-Y451 HydrophobicContact CD-CE2 4.44Å; K43-Y451 PolarHBondContact N-OH 3.23Å; K43-Y451 PolarHBondContact O-OH 3.39Å; L45-Y451 HydrophobicContact CD1-CD1 3.65Å; L45-Y451 HydrophobicContact CD1-CE1 3.46Å; L45-Y451 VanDerWaalsContact CD1-CE1 3.46Å; L45-Y451 HydrophobicContact CG-CD1 4.32Å; L45-Y451 HydrophobicContact CG-CE1 3.62Å; L367-Y451 HydrophobicContact CD1-CD1 4.2Å; L367-Y451 HydrophobicContact CD1-CD2 4.24Å; L367-Y451 HydrophobicContact CD1-CG 3.96Å; L367-Y451 HydrophobicContact CD2-CD2 4.29Å; L367-Y451 HydrophobicContact CD2-CE2 4.21Å; D371-Y451 HydrophobicContact CB-CD2 4.41Å; D371-Y451 WeakPolarHBondContact O-CD2 3.29Å; D373-Y451 PolarHBondContact N-O 3.21Å; D373-Y451 PolarHBondContact OD2-N 2.85Å; V374-Y451 PolarHBondContact N-O 3.43Å; Y451-I468 WeakPolarHBondContact CA-O 3.4Å; Y451-E469 HydrophobicContact CD1-CB 4.11Å; Y451-E469 HydrophobicContact CD1-CG 4.18Å; Y451-E469 HydrophobicContact CE1-CB 4.14Å; Y451-E469 HydrophobicContact CE1-CG 3.81Å
452	G	98.4	Very high	97	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.9	169.7	0	0	0	0	0	110.9	V374 V467 I468	V374-G452 CarbonylContact O-C 3.54Å; V374-G452 WeakPolarHBondContact O-CA 3.43Å; G452-V467 WeakPolarHBondContact O-CA 3.11Å; G452-I468 PolarHBondContact N-O 3.02Å; G452-I468 PolarHBondContact O-N 3.22Å
453	L	98.8	Very high	97	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.7	172.6	-179.8	70	0	0	0	109.3	T358 V361 L362 I372 V374 F375 E376 F377 A465 V467	T358-L453 HydrophobicContact CG2-CD2 3.44Å; T358-L453 VanDerWaalsContact CG2-CD2 3.44Å; V361-L453 HydrophobicContact CG1-CD1 3.65Å; L362-L453 HydrophobicContact CD2-CD1 4.45Å; I372-L453 HydrophobicContact CD1-CB 4.43Å; I372-L453 HydrophobicContact CG1-CB 4.37Å; I372-L453 HydrophobicContact CG2-CB 3.83Å; V374-L453 PolarHBondContact O-N 2.82Å; F375-L453 WeakPolarHBondContact CA-O 3.16Å; F375-L453 HydrophobicContact CD1-CB 3.95Å; F375-L453 HydrophobicContact CD1-CD2 3.9Å; F375-L453 HydrophobicContact CD1-CG 4.44Å; F375-L453 HydrophobicContact CE1-CB 4.21Å; F375-L453 HydrophobicContact CE1-CD2 3.84Å; E376-L453 PolarHBondContact N-O 2.86Å; F377-L453 HydrophobicContact CE1-CD2 3.93Å; F377-L453 HydrophobicContact CE1-CG 4.19Å; F377-L453 HydrophobicContact CZ-CD2 4.08Å; L453-A465 HydrophobicContact CD1-CB 4.35Å; L453-V467 HydrophobicContact CD1-CG2 4.34Å
454	V	98.6	Very high	97	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	136.4	163.8	61.4	0	0	0	0	109.4	E376 L436 V437 V440 A465 M466	E376-V454 VanDerWaalsContact O-CA 3.27Å; E376-V454 WeakPolarHBondContact O-CA 3.42Å; L436-V454 HydrophobicContact CB-CG2 3.52Å; L436-V454 HydrophobicContact CD1-CG2 4.08Å; L436-V454 HydrophobicContact CG-CG2 4.37Å; V437-V454 HydrophobicContact CG2-CB 4.46Å; V437-V454 HydrophobicContact CG2-CG1 3.89Å; V437-V454 HydrophobicContact CG2-CG2 4.39Å; V440-V454 HydrophobicContact CG2-CB 4.35Å; V454-A465 CarbonylContact O-C 3.53Å; V454-A465 WeakPolarHBondContact O-CA 3.08Å; V454-M466 HydrophobicContact CG1-CB 3.58Å; V454-M466 HydrophobicContact CG1-CE 4.2Å; V454-M466 HydrophobicContact CG1-CG 4.34Å; V454-M466 VanDerWaalsContact CG1-O 3.28Å; V454-M466 WeakPolarHBondContact CG1-O 3.45Å; V454-M466 PolarHBondContact N-O 3.3Å; V454-M466 PolarHBondContact O-N 3.21Å
455	A	98.8	Very high	97	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	148	170.5	0	0	0	0	0	112.4	P354 E376 F377 H378 H464 A465	P354-A455 HydrophobicContact CB-CB 3.99Å; P354-A455 HydrophobicContact CG-CB 4.46Å; E376-A455 PolarHBondContact O-N 3.5Å; F377-A455 CarbonylContact C-O 3.53Å; F377-A455 VanDerWaalsContact CA-O 3.23Å; F377-A455 WeakPolarHBondContact CA-O 3.08Å; F377-A455 HydrophobicContact CD1-CB 3.81Å; F377-A455 HydrophobicContact CD2-CB 4.15Å; F377-A455 HydrophobicContact CE1-CB 3.48Å; F377-A455 VanDerWaalsContact CE1-CB 3.48Å; F377-A455 HydrophobicContact CE2-CB 3.87Å; F377-A455 HydrophobicContact CG-CB 4.13Å; F377-A455 HydrophobicContact CZ-CB 3.52Å; H378-A455 PolarHBondContact N-O 3.43Å; A455-H464 CarbonylContact C-O 3.56Å; A455-H464 VanDerWaalsContact CA-O 3.25Å; A455-H464 WeakPolarHBondContact CA-O 3.26Å; A455-A465 HydrophobicContact CB-CB 3.99Å
456	A	98.6	Very high	97.1	Very high	1 Å²	1	19 Å²	19	1%	0.008	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	137.9	-177.7	0	0	0	0	0	112.5	I138 H378 G463 H464	I138-A456 HydrophobicContact CG2-CB 3.53Å; H378-A456 HydrophobicContact CB-CB 3.51Å; A456-G463 VanDerWaalsContact O-CA 3.28Å; A456-G463 WeakPolarHBondContact O-CA 3.5Å; A456-H464 PolarHBondContact N-O 3.44Å; A456-H464 PolarHBondContact O-N 3Å
457	C	97.5	Very high	97.2	Very high	1 Å²	1	15 Å²	15	1%	0.007	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	154.1	162.2	61.6	0	0	0	0	109.8	C137 L351 P354 H378 Q384	C137-C457 WeakPolarHBondContact CB-O 3.4Å; L351-C457 HydrophobicContact CD2-CB 4.21Å; L351-C457 WeakPolarHBondContact O-CB 3.42Å; P354-C457 HydrophobicContact CG-CB 4.31Å; H378-C457 PolarHBondContact ND1-O 2.71Å; H378-C457 PolarHBondContact ND1-SG 3.33Å; Q384-C457 VanDerWaalsContact CD-SG 3.55Å
458	A	96.9	Very high	97.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	149.1	177.6	0	0	0	0	0	111.9	A136 C137 I138 Q462	A136-A458 HydrophobicContact CB-CB 4.14Å; C137-A458 HydrophobicContact CB-CB 3.97Å; I138-A458 HydrophobicContact CB-CB 4.39Å; I138-A458 HydrophobicContact CD1-CB 3.86Å; I138-A458 HydrophobicContact CG1-CB 3.71Å; I138-A458 HydrophobicContact CG2-CB 4.05Å; A458-Q462 HydrophobicContact CB-CB 4.15Å; A458-Q462 PolarHBondContact N-O 2.71Å; A458-Q462 PolarHBondContact O-N 3.19Å; A458-Q462 VanDerWaalsContact O-N 3.08Å
459	A	93.8	Very high	97.4	Very high	23 Å²	23	9.5 Å²	9.5	19%	0.19	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	163.1	166.7	0	0	0	0	0	111.3	A136 M222	A136-A459 HydrophobicContact CB-CB 3.93Å; A136-A459 WeakPolarHBondContact CB-O 3.5Å; M222-A459 HydrophobicContact CE-CB 4.08Å; M222-A459 HydrophobicContact SD-CB 3.79Å
460	G	93.1	Very high	97.6	Very high	27 Å²	27	9 Å²	9	28%	0.278	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	9.4	-165.7	0	0	0	0	0	113.5	E215	E215-G460 VanDerWaalsContact OE2-CA 3.31Å; E215-G460 WeakPolarHBondContact OE2-CA 3.42Å; E215-G460 PolarHBondContact OE2-N 3.24Å
461	G	94	Very high	97.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	38.2	-176.5	0	0	0	0	0	113.1	S343 Q344	S343-G461 CarbonylContact C-O 3.57Å; S343-G461 WeakPolarHBondContact CA-O 3.37Å; S343-G461 PolarHBondContact OG-O 2.82Å; Q344-G461 PolarHBondContact N-O 3.18Å
462	Q	97.4	Very high	97.2	Very high	55 Å²	55	12.3 Å²	12.3	26%	0.257	8%	0.08	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	163.9	-173	-68.4	-179.7	-19.1	0	0	112.5	M135 I138 V342 A458	M135-Q462 HydrophobicContact CE-CG 4.48Å; I138-Q462 HydrophobicContact CD1-CB 4.17Å; V342-Q462 CarbonylContact O-C 3.48Å; V342-Q462 WeakPolarHBondContact O-CA 3.45Å; A458-Q462 HydrophobicContact CB-CB 4.15Å; A458-Q462 PolarHBondContact N-O 2.71Å; A458-Q462 PolarHBondContact O-N 3.19Å; A458-Q462 VanDerWaalsContact O-N 3.08Å
463	G	98.3	Very high	96	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	154.9	174.4	0	0	0	0	0	112.4	Y341 V342 A456	Y341-G463 WeakPolarHBondContact CA-O 3.27Å; V342-G463 PolarHBondContact N-O 3.2Å; V342-G463 PolarHBondContact O-N 3.14Å; A456-G463 VanDerWaalsContact O-CA 3.28Å; A456-G463 WeakPolarHBondContact O-CA 3.5Å
464	H	98.8	Very high	95.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.8	174.6	174.3	71.3	0	0	0	109.8	I138 N141 V340 Y341 A455 A456	I138-H464 HydrophobicContact CB-CB 4.24Å; I138-H464 HydrophobicContact CD1-CB 4Å; I138-H464 HydrophobicContact CG2-CB 3.9Å; N141-H464 VanDerWaalsContact CG-CD2 3.41Å; N141-H464 PolarHBondContact ND2-CD2 3.48Å; N141-H464 PolarHBondContact ND2-NE2 2.83Å; V340-H464 WeakPolarHBondContact O-CA 3.31Å; V340-H464 PolarHBondContact O-ND1 2.95Å; Y341-H464 HydrophobicContact CD1-CB 3.85Å; Y341-H464 AromaticContact CD1-ND1 3.67Å; Y341-H464 HydrophobicContact CE1-CB 3.72Å; Y341-H464 AromaticContact CE1-CG 3.66Å; Y341-H464 AromaticContact CE1-ND1 3.26Å; Y341-H464 VanDerWaalsContact CE1-ND1 3.26Å; Y341-H464 WeakPolarHBondContact CE1-ND1 3.11Å; Y341-H464 AromaticContact CE2-ND1 3.8Å; Y341-H464 AromaticContact CZ-CE1 3.77Å; Y341-H464 AromaticContact CZ-ND1 3.31Å; Y341-H464 VanDerWaalsContact CZ-ND1 3.31Å; A455-H464 CarbonylContact C-O 3.56Å; A455-H464 VanDerWaalsContact CA-O 3.25Å; A455-H464 WeakPolarHBondContact CA-O 3.26Å; A456-H464 PolarHBondContact N-O 3.44Å; A456-H464 PolarHBondContact O-N 3Å
465	A	98.8	Very high	95.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	146.5	164.9	0	0	0	0	0	110.5	F339 V340 A357 V361 L453 V454 A455	F339-A465 CarbonylContact C-O 3.48Å; F339-A465 WeakPolarHBondContact CA-O 3.45Å; V340-A465 HydrophobicContact CG2-CB 4.39Å; V340-A465 PolarHBondContact N-O 3.38Å; V340-A465 PolarHBondContact O-N 2.79Å; V340-A465 VanDerWaalsContact O-N 3.14Å; A357-A465 HydrophobicContact CB-CB 3.58Å; V361-A465 HydrophobicContact CB-CB 4.29Å; V361-A465 HydrophobicContact CG1-CB 3.68Å; L453-A465 HydrophobicContact CD1-CB 4.35Å; V454-A465 CarbonylContact O-C 3.53Å; V454-A465 WeakPolarHBondContact O-CA 3.08Å; A455-A465 HydrophobicContact CB-CB 3.99Å
466	M	98.8	Very high	95.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	138.5	178.5	173.1	166.1	58.6	0	0	110.7	M144 L336 D338 F339 V437 V454 I468	M144-M466 HydrophobicContact CE-CE 4.35Å; L336-M466 HydrophobicContact CD2-CE 4.48Å; L336-M466 HydrophobicContact CD2-SD 4.45Å; D338-M466 CarbonylContact O-C 3.59Å; D338-M466 WeakPolarHBondContact O-CA 3.16Å; F339-M466 HydrophobicContact CB-CB 3.67Å; F339-M466 HydrophobicContact CB-CG 3.86Å; F339-M466 HydrophobicContact CB-SD 4.17Å; V437-M466 HydrophobicContact CB-CE 4.38Å; V437-M466 HydrophobicContact CG1-CE 4.16Å; V437-M466 HydrophobicContact CG2-CE 3.28Å; V454-M466 HydrophobicContact CG1-CB 3.58Å; V454-M466 HydrophobicContact CG1-CE 4.2Å; V454-M466 HydrophobicContact CG1-CG 4.34Å; V454-M466 VanDerWaalsContact CG1-O 3.28Å; V454-M466 WeakPolarHBondContact CG1-O 3.45Å; V454-M466 PolarHBondContact N-O 3.3Å; V454-M466 PolarHBondContact O-N 3.21Å; M466-I468 HydrophobicContact CE-CD1 3.94Å; M466-I468 HydrophobicContact CG-CD1 3.9Å; M466-I468 HydrophobicContact SD-CD1 4.16Å
467	V	98.7	Very high	95.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	133.1	172.1	176.2	0	0	0	0	108.6	L45 R337 D338 V361 L362 A365 L367 G452 L453	L45-V467 HydrophobicContact CD1-CG1 3.71Å; R337-V467 WeakPolarHBondContact CA-O 3.2Å; R337-V467 HydrophobicContact CB-CB 4.19Å; R337-V467 HydrophobicContact CB-CG1 4.15Å; R337-V467 WeakPolarHBondContact CB-O 3.34Å; R337-V467 PolarHBondContact N-O 3.22Å; D338-V467 PolarHBondContact O-N 3.02Å; V361-V467 HydrophobicContact CG1-CG2 4.32Å; V361-V467 HydrophobicContact CG2-CG2 3.98Å; L362-V467 HydrophobicContact CD2-CG2 4.3Å; A365-V467 HydrophobicContact CB-CG2 4.19Å; L367-V467 HydrophobicContact CD1-CG1 4.09Å; G452-V467 WeakPolarHBondContact O-CA 3.11Å; L453-V467 HydrophobicContact CD1-CG2 4.34Å
468	I	98.4	Very high	95.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.9	175.5	-53.7	-60.3	0	0	0	107.2	A334 L336 V437 V440 L444 Y451 G452 M466	A334-I468 HydrophobicContact CB-CG2 3.53Å; L336-I468 HydrophobicContact CD2-CD1 3.65Å; V437-I468 HydrophobicContact CG1-CD1 3.83Å; V440-I468 HydrophobicContact CB-CG1 4.3Å; V440-I468 HydrophobicContact CG1-CB 3.68Å; V440-I468 HydrophobicContact CG1-CG1 3.87Å; V440-I468 HydrophobicContact CG1-CG2 3.97Å; L444-I468 HydrophobicContact CD1-CB 4.49Å; L444-I468 HydrophobicContact CD1-CG2 4.13Å; Y451-I468 WeakPolarHBondContact CA-O 3.4Å; G452-I468 PolarHBondContact N-O 3.02Å; G452-I468 PolarHBondContact O-N 3.22Å; M466-I468 HydrophobicContact CE-CD1 3.94Å; M466-I468 HydrophobicContact CG-CD1 3.9Å; M466-I468 HydrophobicContact SD-CD1 4.16Å
469	E	98.3	Very high	95.1	Very high	7 Å²	7	27.5 Å²	27.5	3%	0.033	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133	173.8	175.6	177.3	-146	0	0	109.7	A334 Y335 R337 Q450 Y451	A334-E469 CarbonylContact C-O 3.57Å; A334-E469 WeakPolarHBondContact CA-O 3.37Å; A334-E469 WeakPolarHBondContact CB-O 3.32Å; Y335-E469 HydrophobicContact CD2-CB 4.45Å; Y335-E469 HydrophobicContact CD2-CG 4.25Å; Y335-E469 PolarHBondContact N-O 3.11Å; Y335-E469 PolarHBondContact O-N 3.06Å; R337-E469 HydrophobicContact CG-CB 3.76Å; R337-E469 IonicContact CZ-OE2 3.06Å; R337-E469 IonicContact NE-OE2 3.98Å; R337-E469 PolarHBondContact NE-OE2 2.97Å; R337-E469 IonicContact NH2-OE2 3.13Å; R337-E469 PolarHBondContact NH2-OE2 3.3Å; Q450-E469 HydrophobicContact CG-CG 4.08Å; Q450-E469 PolarHBondContact NE2-OE1 3.36Å; Q450-E469 CarbonylContact O-C 3.52Å; Q450-E469 VanDerWaalsContact O-CA 3.26Å; Q450-E469 WeakPolarHBondContact O-CA 3.31Å; Y451-E469 HydrophobicContact CD1-CB 4.11Å; Y451-E469 HydrophobicContact CD1-CG 4.18Å; Y451-E469 HydrophobicContact CE1-CB 4.14Å; Y451-E469 HydrophobicContact CE1-CG 3.81Å
470	A	97.7	Very high	95.2	Very high	22 Å²	22	27.9 Å²	27.9	18%	0.182	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	143.1	177.3	0	0	0	0	0	110.9	L444 Q450	L444-A470 HydrophobicContact CB-CB 4.16Å; L444-A470 HydrophobicContact CD1-CB 4.35Å; Q450-A470 PolarHBondContact O-N 3.43Å
471	Y	96.7	Very high	95.4	Very high	31 Å²	31	27.9 Å²	27.9	12%	0.122	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-90.3	132.9	174.6	-160.3	-91.8	0	0	0	110.3	V54 E322 P332 Y335 Q473	V54-Y471 HydrophobicContact CG1-CD2 4.16Å; V54-Y471 HydrophobicContact CG1-CE2 3.98Å; E322-Y471 HydrophobicContact CG-CE2 4.38Å; E322-Y471 PolarHBondContact OE1-OH 2.77Å; P332-Y471 HydrophobicContact CB-CD1 4.14Å; P332-Y471 HydrophobicContact CB-CD2 3.75Å; P332-Y471 HydrophobicContact CB-CE1 4.28Å; P332-Y471 HydrophobicContact CB-CE2 3.87Å; P332-Y471 HydrophobicContact CB-CG 3.89Å; P332-Y471 HydrophobicContact CG-CD1 4.4Å; P332-Y471 HydrophobicContact CG-CD2 4.22Å; P332-Y471 HydrophobicContact CG-CE1 4.05Å; P332-Y471 HydrophobicContact CG-CE2 3.82Å; P332-Y471 HydrophobicContact CG-CG 4.5Å; P332-Y471 WeakPolarHBondContact O-CB 3.39Å; P332-Y471 WeakPolarHBondContact O-CD1 3.24Å; Y335-Y471 HydrophobicContact CD1-CD2 4.36Å; Y335-Y471 HydrophobicContact CD1-CE2 4.5Å; Y335-Y471 AromaticContact CD2-CD2 3.84Å; Y335-Y471 HydrophobicContact CD2-CD2 3.84Å; Y335-Y471 AromaticContact CE1-CD2 3.91Å; Y335-Y471 HydrophobicContact CE1-CD2 3.91Å; Y335-Y471 AromaticContact CE1-CE2 3.7Å; Y335-Y471 HydrophobicContact CE1-CE2 3.7Å; Y335-Y471 AromaticContact CE2-CD2 3.32Å; Y335-Y471 HydrophobicContact CE2-CD2 3.32Å; Y335-Y471 AromaticContact CE2-CE2 3.77Å; Y335-Y471 HydrophobicContact CE2-CE2 3.77Å; Y335-Y471 HydrophobicContact CE2-CG 4.18Å; Y335-Y471 HydrophobicContact CG-CD2 4.33Å; Y335-Y471 AromaticContact CZ-CD2 3.36Å; Y335-Y471 AromaticContact CZ-CE2 3.27Å; Y335-Y471 WeakPolarHBondContact OH-CE2 3.27Å; Y471-Q473 PolarHBondContact O-N 2.9Å
472	P	90.5	Very high	95.5	Very high	91 Å²	91	30.3 Å²	30.3	59%	0.591	16%	0.16	S	C	*	.	P	Polyproline II helix	trans	-61.1	128.1	177.1	25.4	-32.6	0	0	0	110.2
473	Q	73.4	Confident	95.3	Very high	156 Å²	156	28 Å²	28	73%	0.729	15%	0.151	S	C	*	.			trans	-84.2	0	-176.2	-67.8	-65.8	-61.1	0	0	112.8	K445 Y471	K445-Q473 VanDerWaalsContact CE-OE1 3.32Å; Y471-Q473 PolarHBondContact O-N 2.9Å

Retrieved 473 of 473 residues in 168.6 ms (Link to these results)

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