A0A087XQI3_POEFO Loading...

Agmatinase (putative)

AlphaFold DB , UniProt , Accession A0A087XQI3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 358 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	32.6	Very low	32.9	Very low	228 Å²	228	161.2 Å²	161.2	100%	1.123	82%	0.817	S	S	*	*				0	122.5	0	-100.8	175.5	176.9	0	0	108.2
2	F	31	Very low	32.9	Very low	194 Å²	194	167.8 Å²	167.8	85%	0.851	82%	0.824	S	S	*	*			trans	50.6	112.4	164.9	-63.4	-82.4	0	0	0	118.6
3	S	34.6	Very low	32.7	Very low	93 Å²	93	163 Å²	163	65%	0.65	83%	0.828	S	S	*	*			cis	89	133.2	30	-153.6	0	0	0	0	116.6
4	F	37.6	Very low	32.7	Very low	167 Å²	167	159.1 Å²	159.1	73%	0.732	83%	0.833	S	S	*	*			trans	85.3	119.9	143.9	-103.7	-56.8	0	0	0	116.5
5	W	34.9	Very low	32.5	Very low	195 Å²	195	153.5 Å²	153.5	74%	0.739	83%	0.83	S	S	*	*				-171.2	165.7	58.2	-97.8	66.1	0	0	0	109.6
6	R	34.9	Very low	32.4	Very low	185 Å²	185	152.2 Å²	152.2	70%	0.698	83%	0.828	S	S	*	*			cis	-176.8	153.5	-17.5	-163.9	170.3	-172.4	-144.5	11.8	108.2
7	N	33.9	Very low	32.1	Very low	151 Å²	151	154.6 Å²	154.6	81%	0.807	83%	0.829	S	S	*	*			trans	-57	161.8	176.3	-74.7	-44	0	0	0	116.9
8	L	31.6	Very low	31.9	Very low	184 Å²	184	157.1 Å²	157.1	96%	0.963	83%	0.831	S	S	*	*				-167.1	143.5	127.9	-101	151.7	0	0	0	110.8
9	G	28.5	Very low	31.8	Very low	63 Å²	63	153.9 Å²	153.9	65%	0.649	82%	0.824	S	S	*	*			trans	-124.5	176.7	-177.4	0	0	0	0	0	114.9
10	L	32	Very low	31.7	Very low	166 Å²	166	156.3 Å²	156.3	87%	0.869	83%	0.826	S	S	*	*			trans	58.2	122.3	153.8	-76.4	154.5	0	0	0	120.6
11	T	30.1	Very low	31.7	Very low	147 Å²	147	154.4 Å²	154.4	90%	0.902	82%	0.823	S	S	*	*				-153.2	142.1	128.3	19.1	0	0	0	0	111.9
12	R	32.8	Very low	31.8	Very low	240 Å²	240	155.1 Å²	155.1	91%	0.906	81%	0.813	S	S	*	*			trans	-81	154.8	175.9	-76.7	173.9	165	-169.7	-4.1	111.5
13	A	31	Very low	31.8	Very low	106 Å²	106	155.3 Å²	155.3	88%	0.876	82%	0.817	S	S	*	*			trans	-152.3	138.6	143.5	0	0	0	0	0	111.2
14	A	31.8	Very low	31.5	Very low	108 Å²	108	155.3 Å²	155.3	89%	0.893	82%	0.823	S	S	*	*			trans	-87.4	155.6	-176.8	0	0	0	0	0	112.3
15	G	29.9	Very low	31.4	Very low	76 Å²	76	156.1 Å²	156.1	78%	0.784	83%	0.834	S	S	*	*			trans	-143.5	91	177.8	0	0	0	0	0	113.1
16	V	30.9	Very low	31.1	Very low	132 Å²	132	150.4 Å²	150.4	80%	0.8	84%	0.835	S	S	*	*			trans	30.9	126.6	141.4	-169.8	0	0	0	0	121.5
17	F	27.5	Very low	30.8	Very low	194 Å²	194	150 Å²	150	85%	0.851	84%	0.841	S	S	*	*			trans	-60.3	142	165.1	-90.1	-106.4	0	0	0	114.4
18	F	28.8	Very low	30.4	Very low	198 Å²	198	149.1 Å²	149.1	87%	0.868	85%	0.845	S	S	*	*			trans	-137.4	126.1	147.3	-97.5	-84.2	0	0	0	110.2
19	S	29.2	Very low	30.2	Very low	98 Å²	98	150.7 Å²	150.7	69%	0.685	84%	0.838	S	S	*	*			trans	-87.2	146.6	179	66.6	0	0	0	0	112.1
20	F	29.4	Very low	30.6	Very low	200 Å²	200	153.4 Å²	153.4	88%	0.877	85%	0.847	S	S	*	*			trans	-140.5	151.8	148.3	-90.4	-81.9	0	0	0	110.8
21	P	32.9	Very low	30.6	Very low	117 Å²	117	156.8 Å²	156.8	76%	0.76	85%	0.848	S	S	*	*			trans	-92.5	160.3	-150.3	34.9	-34.9	0	0	0	115.9
22	R	34.8	Very low	30.9	Very low	244 Å²	244	156.8 Å²	156.8	92%	0.921	85%	0.849	S	S	*	*			trans	-68.4	139.7	172.2	-77.7	178.2	168.3	-158.3	-2.9	113
23	Q	29.8	Very low	30.7	Very low	197 Å²	197	148.9 Å²	148.9	92%	0.921	84%	0.841	S	S	*	*			trans	-174.5	139.2	143.4	-100.7	170.3	17	0	0	106.4
24	A	30.1	Very low	30.7	Very low	94 Å²	94	146.8 Å²	146.8	78%	0.777	83%	0.831	S	S	*	*			cis	-152.9	146.7	0.7	0	0	0	0	0	107.9	G26	A24-G26 PolarHBondContact O-N 3.32Å
25	L	34.9	Very low	30.6	Very low	184 Å²	184	147.5 Å²	147.5	96%	0.963	83%	0.827	S	S	*	*			trans	-70.9	105.4	173.2	-84.8	149.8	0	0	0	109.7
26	G	27.3	Very low	30.8	Very low	74 Å²	74	151.8 Å²	151.8	76%	0.763	83%	0.831	S	S	*	*			trans	-88.6	127	168	0	0	0	0	0	110.8	A24	A24-G26 PolarHBondContact O-N 3.32Å
27	Q	29.1	Very low	31.1	Very low	176 Å²	176	152.3 Å²	152.3	82%	0.822	83%	0.828	S	S	*	*			trans	-52.4	129.3	-175.5	-69.1	167.9	-16.6	0	0	113.8	R29	Q27-R29 PolarHBondContact O-N 2.72Å
28	C	25.7	Very low	31.6	Very low	133 Å²	133	148.6 Å²	148.6	90%	0.899	82%	0.824	S	S	*	*			trans	-71.3	104.2	166.5	-161.5	0	0	0	0	108.8
29	R	28	Very low	31.9	Very low	218 Å²	218	146 Å²	146	82%	0.823	82%	0.819	S	S	*	*			trans	-89.1	123.4	163.3	-79.7	-173.1	176.9	-160.3	-0.5	108.5	Q27 R31	Q27-R29 PolarHBondContact O-N 2.72Å; R29-R31 PolarHBondContact O-N 2.9Å
30	S	36.4	Very low	32.9	Very low	119 Å²	119	150.9 Å²	150.9	83%	0.832	82%	0.822	S	S	*	*			trans	-56.2	114.9	168.9	46.3	0	0	0	0	110.1
31	R	31.8	Very low	33.4	Very low	237 Å²	237	148.6 Å²	148.6	89%	0.894	82%	0.819	S	S	*	*			trans	-111.6	111.9	157	-81.5	-173.6	174.9	-175.2	-0.7	106.8	R29 G33	R29-R31 PolarHBondContact O-N 2.9Å; R31-G33 PolarHBondContact O-N 3.41Å
32	T	37.2	Very low	33.5	Very low	148 Å²	148	148.7 Å²	148.7	91%	0.908	82%	0.823	S	S	*	*			trans	-55.1	89.8	160.8	36.4	0	0	0	0	108.4	G34	T32-G34 PolarHBondContact O-N 3.15Å
33	G	28.4	Very low	33.9	Very low	73 Å²	73	140.7 Å²	140.7	75%	0.753	80%	0.804	S	S	*	*			trans	-76.3	102.5	171.8	0	0	0	0	0	108.7	R31 C35	R31-G33 PolarHBondContact O-N 3.41Å; G33-C35 PolarHBondContact O-N 2.77Å
34	G	30.8	Very low	34.8	Very low	63 Å²	63	136.1 Å²	136.1	65%	0.649	81%	0.81	S	S	*	*			trans	-54.3	136.2	163.9	0	0	0	0	0	109.5	T32 L36	T32-G34 PolarHBondContact O-N 3.15Å; G34-L36 PolarHBondContact O-N 2.49Å
35	C	30.6	Very low	36.2	Very low	122 Å²	122	133.9 Å²	133.9	82%	0.824	79%	0.788	S	S	*	*			trans	-54.6	104.9	173	-168.6	0	0	0	0	108.5	G33 I37	G33-C35 PolarHBondContact O-N 2.77Å; C35-I37 VanDerWaalsContact C-N 3.3Å; C35-I37 PolarHBondContact O-N 2.83Å
36	L	34.1	Very low	38.8	Very low	166 Å²	166	135 Å²	135	87%	0.869	78%	0.78	S	S	*	*			trans	-70	93.6	169.5	-77.5	162	0	0	0	106.7	G34 P38	G34-L36 PolarHBondContact O-N 2.49Å; L36-P38 VanDerWaalsContact O-CD 3.27Å; L36-P38 WeakPolarHBondContact O-CD 3.5Å
37	I	37.1	Very low	42	Very low	143 Å²	143	134.3 Å²	134.3	73%	0.733	76%	0.755	S	S	*	*			trans	-63	115.6	157.9	-58.9	178.6	0	0	0	104.9	C35 N39	C35-I37 VanDerWaalsContact C-N 3.3Å; C35-I37 PolarHBondContact O-N 2.83Å; I37-N39 PolarHBondContact O-N 2.83Å
38	P	36.3	Very low	45.2	Very low	117 Å²	117	127.8 Å²	127.8	76%	0.76	73%	0.726	S	S	*	*			trans	-64.3	112	177.6	22	-25.7	0	0	0	107.9	L36 R40	L36-P38 VanDerWaalsContact O-CD 3.27Å; L36-P38 WeakPolarHBondContact O-CD 3.5Å; P38-R40 PolarHBondContact O-N 2.98Å
39	N	35.3	Very low	48.5	Very low	143 Å²	143	124.2 Å²	124.2	77%	0.765	70%	0.7	S	S	*	*			trans	-61	131.9	172.2	-123.5	-3.7	0	0	0	108.2	I37 D41	I37-N39 PolarHBondContact O-N 2.83Å; N39-D41 PolarHBondContact O-N 3.26Å
40	R	50.6	Low	51.6	Low	200 Å²	200	114.6 Å²	114.6	76%	0.755	67%	0.665	S	S	*	*	S	Bend	trans	-80.5	33.7	-164.5	-139.9	179.5	-175.8	-177.7	-0.2	113.6	P38	P38-R40 PolarHBondContact O-N 2.98Å
41	D	39.7	Very low	54.3	Low	153 Å²	153	111.3 Å²	111.3	82%	0.818	64%	0.641	S	S	*	*			trans	-108.3	75	179.5	-76	-22	0	0	0	110.3	N39	N39-D41 PolarHBondContact O-N 3.26Å
42	S	36.6	Very low	57.1	Low	119 Å²	119	102.4 Å²	102.4	83%	0.832	62%	0.615	S	S	*	*			trans	-152.8	48	167.9	47.5	0	0	0	0	113
43	S	42.1	Very low	59.7	Low	76 Å²	76	97.8 Å²	97.8	53%	0.531	59%	0.592	S	S	.	*			trans	-133.5	118.9	143.5	65.2	0	0	0	0	107.6	S45	S43-S45 PolarHBondContact O-N 3.26Å
44	G	49.4	Very low	62.7	Low	101 Å²	101	101.8 Å²	101.8	100%	1.041	59%	0.591	S	S	*	*			trans	-65.5	19.2	168.6	0	0	0	0	0	113.7
45	S	59.8	Low	65.6	Low	46 Å²	46	107.2 Å²	107.2	32%	0.322	60%	0.597	S	S	.	*			trans	-84.9	131.7	174	178.8	0	0	0	0	109	S43 Y47	S43-S45 PolarHBondContact O-N 3.26Å; S45-Y47 PolarHBondContact O-N 3.47Å; S45-Y47 PolarHBondContact OG-N 3.43Å; S45-Y47 VanDerWaalsContact OG-N 3.1Å; S45-Y47 PolarHBondContact OG-O 2.92Å
46	R	87.9	Confident	68.6	Low	208 Å²	208	104.2 Å²	104.2	79%	0.785	58%	0.575	S	S	*	*	S	Bend	trans	-62.8	-18	169.4	179.5	177.9	174	-172.2	-1.8	112.3	M126	R46-M126 WeakPolarHBondContact O-CE 3.28Å
47	Y	96.3	Very high	71.5	Confident	59 Å²	59	98.9 Å²	98.9	23%	0.231	56%	0.555	C	S	.	*	S	Bend	trans	-107.5	155.2	-171.1	-59.2	-76.6	0	0	0	112.3	S45 V49 Y122 E123 S124 L125 M126	S45-Y47 PolarHBondContact O-N 3.47Å; S45-Y47 PolarHBondContact OG-N 3.43Å; S45-Y47 VanDerWaalsContact OG-N 3.1Å; S45-Y47 PolarHBondContact OG-O 2.92Å; Y47-V49 PolarHBondContact O-N 2.81Å; Y47-Y122 WeakPolarHBondContact CB-O 3.33Å; Y47-E123 WeakPolarHBondContact CD2-O 3.47Å; Y47-E123 VanDerWaalsContact CE2-C 3.41Å; Y47-E123 WeakPolarHBondContact CE2-O 3.23Å; Y47-S124 VanDerWaalsContact CE1-C 3.41Å; Y47-S124 WeakPolarHBondContact CE1-O 3.37Å; Y47-S124 PolarHBondContact OH-O 2.67Å; Y47-L125 VanDerWaalsContact CD1-O 3.29Å; Y47-L125 WeakPolarHBondContact CD1-O 3.4Å; Y47-M126 HydrophobicContact CD1-CB 4.37Å
48	N	96.2	Very high	74.2	Confident	40 Å²	40	94.8 Å²	94.8	21%	0.214	53%	0.53	C	S	.	.			trans	-70.8	121.6	170.1	-67.5	-26.3	0	0	0	110.4	L68 P69 M126 V127	N48-L68 HydrophobicContact CB-CD2 4.24Å; N48-P69 HydrophobicContact CB-CG 3.97Å; N48-P69 VanDerWaalsContact CG-CG 3.43Å; N48-P69 WeakPolarHBondContact ND2-CG 3.33Å; N48-M126 HydrophobicContact CB-SD 4.22Å; N48-M126 VanDerWaalsContact CG-SD 3.58Å; N48-M126 PolarHBondContact ND2-SD 3.29Å; N48-V127 WeakPolarHBondContact CB-O 3.17Å; N48-V127 PolarHBondContact ND2-O 2.95Å
49	V	94.4	Very high	77	Confident	58 Å²	58	95.9 Å²	95.9	35%	0.352	53%	0.534	S	S	.	.			trans	-119.2	135.8	179.2	-171.8	0	0	0	0	109.5	Y47 A112	Y47-V49 PolarHBondContact O-N 2.81Å; V49-A112 HydrophobicContact CG1-CB 4.32Å
50	P	93.3	Very high	79.9	Confident	16 Å²	16	92 Å²	92	10%	0.104	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-54.4	137.8	169.7	-27.6	36.4	0	0	0	111.5	S52 A66 L68 Y122	P50-S52 PolarHBondContact O-N 2.86Å; P50-A66 WeakPolarHBondContact CB-O 3.26Å; P50-L68 HydrophobicContact CG-CD2 4.07Å; P50-Y122 HydrophobicContact CG-CD2 4.03Å; P50-Y122 HydrophobicContact CG-CE1 4.28Å; P50-Y122 HydrophobicContact CG-CE2 3.66Å; P50-Y122 HydrophobicContact CG-CG 4.46Å
51	P	92.5	Very high	81.9	Confident	49 Å²	49	86 Å²	86	32%	0.318	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-61.1	135.9	179.5	25.3	-34	0	0	0	111.3	V56 K67	P51-V56 HydrophobicContact CB-CB 4.11Å; P51-V56 HydrophobicContact CB-CG2 4.02Å; P51-K67 HydrophobicContact CG-CB 4.11Å; P51-K67 HydrophobicContact CG-CD 4.45Å
52	S	91.8	Very high	84.6	Confident	51 Å²	51	85.9 Å²	85.9	36%	0.357	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-64.9	136.8	176	177.8	0	0	0	0	110.9	P50 E54 F55 V56	P50-S52 PolarHBondContact O-N 2.86Å; S52-E54 PolarHBondContact O-N 3.26Å; S52-E54 WeakPolarHBondContact OG-CB 3Å; S52-E54 WeakPolarHBondContact OG-CG 3.48Å; S52-E54 PolarHBondContact OG-N 3.42Å; S52-E54 PolarHBondContact OG-OE2 3.17Å; S52-F55 PolarHBondContact O-N 3.15Å; S52-F55 VanDerWaalsContact O-N 3.13Å; S52-V56 PolarHBondContact O-N 3.01Å
53	A	90.3	Very high	87.5	Confident	50 Å²	50	83.1 Å²	83.1	41%	0.413	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-10.3	175.1	0	0	0	0	0	113.3	F55 V56 R58	A53-F55 VanDerWaalsContact C-N 3.26Å; A53-V56 WeakPolarHBondContact CA-O 3.4Å; A53-R58 HydrophobicContact CB-CG 4.07Å
54	E	92.1	Very high	90.2	Very high	157 Å²	157	80.4 Å²	80.4	73%	0.734	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-28.9	171.3	-65	171.1	167	0	0	112	S52	S52-E54 PolarHBondContact O-N 3.26Å; S52-E54 WeakPolarHBondContact OG-CB 3Å; S52-E54 WeakPolarHBondContact OG-CG 3.48Å; S52-E54 PolarHBondContact OG-N 3.42Å; S52-E54 PolarHBondContact OG-OE2 3.17Å
55	F	92.4	Very high	92.5	Very high	177 Å²	177	75.6 Å²	75.6	78%	0.776	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	-27.7	-174.4	-53.6	-68.6	0	0	0	113.4	S52 A53	S52-F55 PolarHBondContact O-N 3.15Å; S52-F55 VanDerWaalsContact O-N 3.13Å; A53-F55 VanDerWaalsContact C-N 3.26Å
56	V	92.4	Very high	94.3	Very high	60 Å²	60	73.5 Å²	73.5	36%	0.364	41%	0.414	S	S	.	.	S	Bend	trans	-127.1	121.3	-177.6	-176.6	0	0	0	0	110.1	P51 S52 A53 R58	P51-V56 HydrophobicContact CB-CB 4.11Å; P51-V56 HydrophobicContact CB-CG2 4.02Å; S52-V56 PolarHBondContact O-N 3.01Å; A53-V56 WeakPolarHBondContact CA-O 3.4Å; V56-R58 PolarHBondContact O-N 3.1Å
57	A	95.3	Very high	94.8	Very high	54 Å²	54	64.8 Å²	64.8	45%	0.446	38%	0.382	S	S	.	.			trans	-57.2	132.5	173.7	0	0	0	0	0	110.7	V59 S60 K67	A57-V59 HydrophobicContact CB-CG2 4.27Å; A57-V59 PolarHBondContact O-N 3.28Å; A57-S60 PolarHBondContact O-N 3.24Å; A57-S60 VanDerWaalsContact O-N 3.08Å; A57-K67 PolarHBondContact O-NZ 3.3Å
58	R	94.5	Very high	94.9	Very high	56 Å²	56	62 Å²	62	21%	0.211	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-33.5	-176.1	-72	-178.1	176.6	-75.9	-6.5	112.7	A53 V56 S60 K67 A108 L110	A53-R58 HydrophobicContact CB-CG 4.07Å; V56-R58 PolarHBondContact O-N 3.1Å; R58-S60 VanDerWaalsContact C-N 3.26Å; R58-S60 PolarHBondContact O-N 3.25Å; R58-K67 PolarHBondContact O-NZ 3.05Å; R58-A108 WeakPolarHBondContact CD-O 3.47Å; R58-A108 PolarHBondContact NH1-O 3.4Å; R58-L110 PolarHBondContact NH1-O 2.87Å
59	V	94.7	Very high	94.9	Very high	141 Å²	141	61.4 Å²	61.4	86%	0.855	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-10.1	178.8	-59.3	0	0	0	0	114.7	A57	A57-V59 HydrophobicContact CB-CG2 4.27Å; A57-V59 PolarHBondContact O-N 3.28Å
60	S	95.3	Very high	95.1	Very high	62 Å²	62	65 Å²	65	43%	0.434	38%	0.377	S	S	.	.	S	Bend	trans	-101.6	151.7	-174.4	-56.9	0	0	0	0	113.1	A57 R58 K67	A57-S60 PolarHBondContact O-N 3.24Å; A57-S60 VanDerWaalsContact O-N 3.08Å; R58-S60 VanDerWaalsContact C-N 3.26Å; R58-S60 PolarHBondContact O-N 3.25Å; S60-K67 WeakPolarHBondContact O-CE 3.3Å; S60-K67 PolarHBondContact O-NZ 3.46Å
61	G	93.7	Very high	95.3	Very high	74 Å²	74	68 Å²	68	76%	0.763	39%	0.386	S	S	*	.	S	Bend	trans	95.4	179.7	177.3	0	0	0	0	0	113.3
62	I	96.5	Very high	95.5	Very high	149 Å²	149	73.5 Å²	73.5	76%	0.764	41%	0.408	S	S	*	.			trans	-70.9	133.9	179.1	-59	174.2	0	0	0	108.9	T64	I62-T64 VanDerWaalsContact C-N 3.31Å; I62-T64 HydrophobicContact CG2-CG2 4.28Å; I62-T64 PolarHBondContact O-N 3.1Å
63	S	96.8	Very high	95.6	Very high	62 Å²	62	74.1 Å²	74.1	43%	0.434	41%	0.41	S	S	.	.			trans	-83.3	72.3	-177.6	-174.1	0	0	0	0	111.4	R104 A105	S63-R104 PolarHBondContact OG-O 3.01Å; S63-A105 VanDerWaalsContact OG-CA 3.28Å; S63-A105 WeakPolarHBondContact OG-CA 3.29Å; S63-A105 PolarHBondContact OG-N 3.28Å
64	T	98.6	Very high	96	Very high	18 Å²	18	72.1 Å²	72.1	11%	0.11	39%	0.392	C	S	.	.			trans	-86.7	161.7	164.8	48.5	0	0	0	0	110.7	I62 A66 K67 L68 D129	I62-T64 VanDerWaalsContact C-N 3.31Å; I62-T64 HydrophobicContact CG2-CG2 4.28Å; I62-T64 PolarHBondContact O-N 3.1Å; T64-A66 PolarHBondContact O-N 2.87Å; T64-K67 PolarHBondContact O-N 3.27Å; T64-L68 WeakPolarHBondContact CB-O 3.28Å; T64-L68 PolarHBondContact OG1-O 3.43Å; T64-D129 WeakPolarHBondContact CA-OD2 3.44Å; T64-D129 HydrophobicContact CG2-CB 4.28Å
65	M	98.6	Very high	96.2	Very high	0 Å²	0	69 Å²	69	0%	0	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-57.8	124.7	177.8	-176.6	54.1	-179.3	0	0	111	K67 L68 F81 I103 R104 S107 L110 D129 L164 L345	M65-K67 PolarHBondContact O-N 3.36Å; M65-L68 WeakPolarHBondContact O-CB 3.45Å; M65-L68 PolarHBondContact O-N 2.94Å; M65-L68 VanDerWaalsContact O-N 3.08Å; M65-F81 HydrophobicContact CB-CB 3.84Å; M65-F81 HydrophobicContact CB-CD2 4Å; M65-F81 HydrophobicContact CB-CG 3.91Å; M65-F81 HydrophobicContact CE-CD1 4.18Å; M65-F81 HydrophobicContact CE-CE1 3.78Å; M65-F81 HydrophobicContact CE-CZ 4.04Å; M65-F81 HydrophobicContact CG-CB 3.8Å; M65-F81 HydrophobicContact CG-CD1 3.61Å; M65-F81 HydrophobicContact CG-CD2 3.49Å; M65-F81 VanDerWaalsContact CG-CD2 3.49Å; M65-F81 HydrophobicContact CG-CE1 3.97Å; M65-F81 HydrophobicContact CG-CE2 3.86Å; M65-F81 HydrophobicContact CG-CG 3.34Å; M65-F81 HydrophobicContact CG-CZ 4.08Å; M65-I103 HydrophobicContact SD-CG2 4.31Å; M65-R104 HydrophobicContact CB-CG 4.19Å; M65-S107 WeakPolarHBondContact SD-CB 3.31Å; M65-L110 HydrophobicContact CE-CD1 4.07Å; M65-D129 HydrophobicContact CB-CB 4.34Å; M65-D129 WeakPolarHBondContact CB-OD2 3.43Å; M65-D129 PolarHBondContact N-OD2 2.73Å; M65-L164 HydrophobicContact SD-CD2 4.12Å; M65-L345 HydrophobicContact CE-CB 3.73Å; M65-L345 HydrophobicContact CE-CD1 3.97Å
66	A	97.3	Very high	96.5	Very high	3 Å²	3	63.6 Å²	63.6	3%	0.025	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	52.7	23.3	-174.8	0	0	0	0	0	114.3	P50 T64 L68 S107 L110	P50-A66 WeakPolarHBondContact CB-O 3.26Å; T64-A66 PolarHBondContact O-N 2.87Å; A66-L68 HydrophobicContact CB-CD1 4.4Å; A66-L68 HydrophobicContact CB-CG 4.31Å; A66-L68 PolarHBondContact O-N 2.94Å; A66-S107 PolarHBondContact N-OG 3.46Å; A66-L110 HydrophobicContact CB-CD1 4.04Å
67	K	97.3	Very high	96.7	Very high	25 Å²	25	61 Å²	61	11%	0.109	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	56.4	25.9	-174.1	-52.2	-172.4	66.9	158.4	0	114.1	P51 A57 R58 S60 T64 M65 A108	P51-K67 HydrophobicContact CG-CB 4.11Å; P51-K67 HydrophobicContact CG-CD 4.45Å; A57-K67 PolarHBondContact O-NZ 3.3Å; R58-K67 PolarHBondContact O-NZ 3.05Å; S60-K67 WeakPolarHBondContact O-CE 3.3Å; S60-K67 PolarHBondContact O-NZ 3.46Å; T64-K67 PolarHBondContact O-N 3.27Å; M65-K67 PolarHBondContact O-N 3.36Å; K67-A108 HydrophobicContact CD-CB 4.26Å; K67-A108 HydrophobicContact CG-CB 4.39Å
68	L	98	Very high	96.9	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-69.5	159.9	174	-72.3	170.8	0	0	0	111.1	N48 P50 T64 M65 A66 F81 Y122 V127	N48-L68 HydrophobicContact CB-CD2 4.24Å; P50-L68 HydrophobicContact CG-CD2 4.07Å; T64-L68 WeakPolarHBondContact CB-O 3.28Å; T64-L68 PolarHBondContact OG1-O 3.43Å; M65-L68 WeakPolarHBondContact O-CB 3.45Å; M65-L68 PolarHBondContact O-N 2.94Å; M65-L68 VanDerWaalsContact O-N 3.08Å; A66-L68 HydrophobicContact CB-CD1 4.4Å; A66-L68 HydrophobicContact CB-CG 4.31Å; A66-L68 PolarHBondContact O-N 2.94Å; L68-F81 HydrophobicContact CD1-CD2 3.9Å; L68-F81 HydrophobicContact CD1-CE2 3.79Å; L68-Y122 HydrophobicContact CD1-CE1 4.04Å; L68-Y122 HydrophobicContact CD2-CD1 4.24Å; L68-Y122 HydrophobicContact CD2-CE1 4.04Å; L68-V127 HydrophobicContact CD1-CB 4.25Å; L68-V127 HydrophobicContact CD1-CG1 3.82Å
69	P	97.6	Very high	97.1	Very high	27 Å²	27	58.4 Å²	58.4	18%	0.175	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-61	144.9	172	26.6	-34.2	0	0	0	111.3	N48 A128 D129	N48-P69 HydrophobicContact CB-CG 3.97Å; N48-P69 VanDerWaalsContact CG-CG 3.43Å; N48-P69 WeakPolarHBondContact ND2-CG 3.33Å; P69-A128 WeakPolarHBondContact O-CB 3.37Å; P69-D129 PolarHBondContact O-N 3.31Å
70	Y	98.2	Very high	97.3	Very high	134 Å²	134	51.7 Å²	51.7	53%	0.525	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-75.5	138.5	165.3	169.6	-105.9	0	0	0	109.9	E72 D129	Y70-E72 HydrophobicContact CE1-CG 3.75Å; Y70-D129 CarbonylContact C-O 3.52Å; Y70-D129 VanDerWaalsContact CA-O 3.26Å; Y70-D129 WeakPolarHBondContact CA-O 3.36Å
71	R	97.9	Very high	97.5	Very high	78 Å²	78	48.8 Å²	48.8	29%	0.294	28%	0.28	S	S	.	.			trans	-133.2	141.5	169.6	-69.5	-168.8	68.5	-169.2	-8.4	110.7	D75 A128 D129 I130	R71-D75 PolarHBondContact NH1-O 2.9Å; R71-D75 PolarHBondContact NH2-O 3.45Å; R71-A128 HydrophobicContact CB-CB 4.25Å; R71-A128 HydrophobicContact CG-CB 3.9Å; R71-D129 PolarHBondContact N-O 3.28Å; R71-I130 HydrophobicContact CB-CG2 4.45Å; R71-I130 VanDerWaalsContact O-CA 3.24Å; R71-I130 WeakPolarHBondContact O-CA 3.19Å; R71-I130 WeakPolarHBondContact O-CB 3.42Å
72	E	95.8	Very high	97.7	Very high	164 Å²	164	45.4 Å²	45.4	77%	0.766	25%	0.245	S	C	*	.	S	Bend	trans	-75.7	-26.7	178.1	-64.1	-179.1	175.1	0	0	113.1	Y70	Y70-E72 HydrophobicContact CE1-CG 3.75Å
73	T	95.1	Very high	97.8	Very high	65 Å²	65	38.3 Å²	38.3	40%	0.399	21%	0.208	S	C	.	.	S	Bend	trans	-130.2	161.9	-178.2	80.7	0	0	0	0	111.9	D75	T73-D75 VanDerWaalsContact C-N 3.34Å; T73-D75 WeakPolarHBondContact CB-OD2 3.17Å; T73-D75 PolarHBondContact OG1-N 3.4Å; T73-D75 PolarHBondContact OG1-OD2 3.18Å
74	T	97.8	Very high	97.9	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.043	19%	0.188	C	C	.	.			trans	-90.8	7.1	177.9	55.2	0	0	0	0	113.8	G76 L77 A80 I130 I154 T157 C159	T74-G76 PolarHBondContact O-N 2.9Å; T74-L77 WeakPolarHBondContact O-CB 3.41Å; T74-L77 PolarHBondContact O-N 3.5Å; T74-A80 HydrophobicContact CG2-CB 4.26Å; T74-I130 HydrophobicContact CG2-CD1 3.65Å; T74-I130 HydrophobicContact CG2-CG2 4.19Å; T74-I154 HydrophobicContact CG2-CB 4.36Å; T74-I154 HydrophobicContact CG2-CG1 4.01Å; T74-I154 HydrophobicContact CG2-CG2 4.16Å; T74-T157 WeakPolarHBondContact CB-OG1 3.3Å; T74-T157 PolarHBondContact O-OG1 2.59Å; T74-T157 VanDerWaalsContact OG1-CG2 3.29Å; T74-T157 WeakPolarHBondContact OG1-CG2 3.41Å; T74-T157 PolarHBondContact OG1-OG1 3.31Å; T74-C159 HydrophobicContact CG2-CB 4.24Å
75	D	97.3	Very high	97.9	Very high	93 Å²	93	35.8 Å²	35.8	50%	0.497	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	121	-177.2	-61.1	-51.7	0	0	0	111.3	R71 T73 L77 T157	R71-D75 PolarHBondContact NH1-O 2.9Å; R71-D75 PolarHBondContact NH2-O 3.45Å; T73-D75 VanDerWaalsContact C-N 3.34Å; T73-D75 WeakPolarHBondContact CB-OD2 3.17Å; T73-D75 PolarHBondContact OG1-N 3.4Å; T73-D75 PolarHBondContact OG1-OD2 3.18Å; D75-L77 PolarHBondContact O-N 3.1Å; D75-T157 WeakPolarHBondContact OD1-CG2 3.35Å
76	G	96.9	Very high	98	Very high	63 Å²	63	35.9 Å²	35.9	65%	0.649	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	11.5	-177.6	0	0	0	0	0	114.9	T74 M126	T74-G76 PolarHBondContact O-N 2.9Å; G76-M126 WeakPolarHBondContact O-CG 3.48Å
77	L	98.5	Very high	98	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.031	19%	0.191	C	C	.	.			trans	-89	136.2	167.1	-61.3	-173.9	0	0	0	110.3	T74 D75 A80 M126 A128 I130	T74-L77 WeakPolarHBondContact O-CB 3.41Å; T74-L77 PolarHBondContact O-N 3.5Å; D75-L77 PolarHBondContact O-N 3.1Å; L77-A80 HydrophobicContact CD1-CB 4Å; L77-M126 HydrophobicContact CD2-CG 3.58Å; L77-A128 HydrophobicContact CD1-CB 3.79Å; L77-A128 HydrophobicContact CD2-CB 3.94Å; L77-I130 HydrophobicContact CD1-CG2 3.94Å
78	D	98.7	Very high	98	Very high	55 Å²	55	37.1 Å²	37.1	29%	0.294	20%	0.2	S	C	.	.	S	Bend	trans	-79.6	-36.7	169.9	-64.2	-69.9	0	0	0	110.7	L125 M126 I160	D78-L125 HydrophobicContact CB-CB 4.18Å; D78-L125 HydrophobicContact CB-CD2 3.91Å; D78-M126 PolarHBondContact N-O 2.91Å; D78-M126 PolarHBondContact OD2-N 2.8Å; D78-I160 PolarHBondContact O-N 3.35Å
79	A	98.8	Very high	98	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	155.7	176.6	0	0	0	0	0	110.8	M126 V127 I160 L162 L352	A79-M126 PolarHBondContact N-O 3.47Å; A79-V127 HydrophobicContact CB-CG2 4.42Å; A79-V127 WeakPolarHBondContact O-CA 3.44Å; A79-I160 VanDerWaalsContact CA-O 3.25Å; A79-I160 WeakPolarHBondContact CA-O 3.38Å; A79-I160 HydrophobicContact CB-CB 4.35Å; A79-L162 HydrophobicContact CB-CD1 4.39Å; A79-L352 HydrophobicContact CB-CD1 3.72Å
80	A	98.8	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	146.3	178.9	0	0	0	0	0	111.3	T74 L77 I82 A128 I130 C159 I160 L162	T74-A80 HydrophobicContact CG2-CB 4.26Å; L77-A80 HydrophobicContact CD1-CB 4Å; A80-I82 HydrophobicContact CB-CD1 4.28Å; A80-I82 WeakPolarHBondContact O-CD1 3.5Å; A80-A128 WeakPolarHBondContact CA-O 3.4Å; A80-I130 HydrophobicContact CB-CD1 4.35Å; A80-I130 HydrophobicContact CB-CG1 4.36Å; A80-I130 HydrophobicContact CB-CG2 3.98Å; A80-C159 VanDerWaalsContact CB-SG 3.56Å; A80-C159 PolarHBondContact N-SG 2.6Å; A80-I160 PolarHBondContact N-O 2.71Å; A80-I160 VanDerWaalsContact N-O 3.08Å; A80-L162 PolarHBondContact O-N 2.99Å
81	F	98.9	Very high	98	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.1	167.2	-69.4	-71.1	0	0	0	110.2	M65 L68 V127 A128 I130 L162 L164 L345 L349	M65-F81 HydrophobicContact CB-CB 3.84Å; M65-F81 HydrophobicContact CB-CD2 4Å; M65-F81 HydrophobicContact CB-CG 3.91Å; M65-F81 HydrophobicContact CE-CD1 4.18Å; M65-F81 HydrophobicContact CE-CE1 3.78Å; M65-F81 HydrophobicContact CE-CZ 4.04Å; M65-F81 HydrophobicContact CG-CB 3.8Å; M65-F81 HydrophobicContact CG-CD1 3.61Å; M65-F81 HydrophobicContact CG-CD2 3.49Å; M65-F81 VanDerWaalsContact CG-CD2 3.49Å; M65-F81 HydrophobicContact CG-CE1 3.97Å; M65-F81 HydrophobicContact CG-CE2 3.86Å; M65-F81 HydrophobicContact CG-CG 3.34Å; M65-F81 HydrophobicContact CG-CZ 4.08Å; L68-F81 HydrophobicContact CD1-CD2 3.9Å; L68-F81 HydrophobicContact CD1-CE2 3.79Å; F81-V127 HydrophobicContact CD2-CG1 4.1Å; F81-V127 HydrophobicContact CE2-CG1 3.94Å; F81-A128 PolarHBondContact N-O 3.49Å; F81-I130 PolarHBondContact O-N 3.05Å; F81-L162 WeakPolarHBondContact CA-O 3.46Å; F81-L162 HydrophobicContact CD1-CB 3.62Å; F81-L162 HydrophobicContact CD1-CD1 4.18Å; F81-L162 HydrophobicContact CE1-CB 3.8Å; F81-L162 HydrophobicContact CE1-CD1 3.72Å; F81-L162 HydrophobicContact CE1-CG 4.36Å; F81-L162 HydrophobicContact CG-CB 4.49Å; F81-L162 HydrophobicContact CZ-CD1 3.97Å; F81-L164 HydrophobicContact CB-CD1 3.96Å; F81-L164 HydrophobicContact CD1-CD1 4.2Å; F81-L345 HydrophobicContact CE1-CB 4.26Å; F81-L349 HydrophobicContact CE2-CD2 4.27Å; F81-L349 HydrophobicContact CZ-CB 4.4Å; F81-L349 HydrophobicContact CZ-CD2 4.03Å
82	I	98.9	Very high	98	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130.2	-176.4	-46.1	95.5	0	0	0	109.6	A80 I130 V133 I154 P161 L162 T163 L164	A80-I82 HydrophobicContact CB-CD1 4.28Å; A80-I82 WeakPolarHBondContact O-CD1 3.5Å; I82-I130 HydrophobicContact CB-CG1 4.33Å; I82-I130 HydrophobicContact CG1-CD1 3.48Å; I82-I130 VanDerWaalsContact CG1-CD1 3.48Å; I82-I130 HydrophobicContact CG1-CG1 3.57Å; I82-I130 HydrophobicContact CG2-CD1 4.42Å; I82-I130 HydrophobicContact CG2-CG1 4.36Å; I82-V133 HydrophobicContact CG2-CG2 4.04Å; I82-I154 HydrophobicContact CG1-CD1 4.03Å; I82-I154 HydrophobicContact CG2-CD1 4.43Å; I82-P161 HydrophobicContact CD1-CB 3.5Å; I82-P161 VanDerWaalsContact CD1-CB 3.5Å; I82-L162 PolarHBondContact N-O 2.8Å; I82-L162 VanDerWaalsContact N-O 3.1Å; I82-T163 CarbonylContact O-C 3.42Å; I82-T163 VanDerWaalsContact O-CA 3.32Å; I82-T163 WeakPolarHBondContact O-CA 3.48Å; I82-L164 WeakPolarHBondContact O-CD1 3.34Å; I82-L164 PolarHBondContact O-N 3.35Å
83	G	98.9	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	145.8	171	0	0	0	0	0	113.4	G131 D132 V133 L164	G83-G131 PolarHBondContact N-O 3.24Å; G83-D132 WeakPolarHBondContact CA-OD1 3.43Å; G83-D132 CarbonylContact O-C 3.53Å; G83-D132 VanDerWaalsContact O-CA 3.24Å; G83-D132 WeakPolarHBondContact O-CA 3.38Å; G83-V133 PolarHBondContact O-N 2.97Å; G83-L164 CarbonylContact C-O 3.51Å; G83-L164 VanDerWaalsContact CA-O 3.3Å; G83-L164 WeakPolarHBondContact CA-O 3.4Å
84	V	98.9	Very high	98.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.203	C	C	.	.			trans	-128.3	84.2	171.8	-171.1	0	0	0	0	109.4	I86 V133 V135 I147 Y151 T163 L164 G165 G166 I170	V84-I86 HydrophobicContact CG1-CG2 4.12Å; V84-I86 PolarHBondContact O-N 3.38Å; V84-V133 HydrophobicContact CG2-CB 4.44Å; V84-V133 HydrophobicContact CG2-CG2 4.05Å; V84-V135 HydrophobicContact CG1-CG1 4.28Å; V84-I147 HydrophobicContact CG1-CD1 3.58Å; V84-I147 HydrophobicContact CG1-CG1 3.86Å; V84-Y151 HydrophobicContact CG2-CE2 4.16Å; V84-T163 HydrophobicContact CG2-CG2 3.77Å; V84-L164 PolarHBondContact N-O 2.94Å; V84-G165 CarbonylContact O-C 3.57Å; V84-G166 PolarHBondContact O-N 3.49Å; V84-I170 HydrophobicContact CB-CD1 3.91Å; V84-I170 HydrophobicContact CB-CG2 4.23Å; V84-I170 HydrophobicContact CG1-CB 4.12Å; V84-I170 HydrophobicContact CG1-CD1 4.36Å; V84-I170 HydrophobicContact CG1-CG2 3.55Å; V84-I170 HydrophobicContact CG2-CD1 4.31Å
85	P	98.8	Very high	98.3	Very high	27 Å²	27	33.1 Å²	33.1	18%	0.175	20%	0.203	C	C	.	.			trans	-84.3	70.1	-168	33.7	-36.4	0	0	0	113.2	R97 P100 D132 V135	P85-R97 WeakPolarHBondContact CB-O 3.4Å; P85-P100 HydrophobicContact CB-CG 4.18Å; P85-D132 HydrophobicContact CG-CB 4.2Å; P85-V135 HydrophobicContact CG-CG2 4.41Å
86	I	98.8	Very high	98.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	18%	0.18	C	C	.	.			trans	-132.6	142.2	178	-169.1	68.9	0	0	0	111.3	V84 T88 V135 L137 T143 G166 D167 I170	V84-I86 HydrophobicContact CG1-CG2 4.12Å; V84-I86 PolarHBondContact O-N 3.38Å; I86-T88 HydrophobicContact CD1-CG2 3.85Å; I86-T88 WeakPolarHBondContact CD1-OG1 3.45Å; I86-T88 WeakPolarHBondContact CG1-OG1 2.98Å; I86-V135 HydrophobicContact CB-CB 4.41Å; I86-V135 HydrophobicContact CB-CG1 4.25Å; I86-V135 HydrophobicContact CB-CG2 4.39Å; I86-V135 HydrophobicContact CD1-CB 4.45Å; I86-V135 HydrophobicContact CD1-CG2 4.28Å; I86-L137 HydrophobicContact CD1-CD2 3.75Å; I86-T143 HydrophobicContact CB-CG2 4.28Å; I86-T143 HydrophobicContact CD1-CG2 4.48Å; I86-T143 HydrophobicContact CG1-CG2 4.02Å; I86-T143 HydrophobicContact CG2-CG2 4.2Å; I86-G166 CarbonylContact O-C 3.49Å; I86-G166 WeakPolarHBondContact O-CA 3.36Å; I86-D167 PolarHBondContact O-N 3.26Å; I86-I170 HydrophobicContact CG2-CG2 3.46Å; I86-I170 VanDerWaalsContact CG2-CG2 3.46Å
87	D	98.6	Very high	98.5	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	16%	0.163	C	C	.	.			trans	-143.4	26.3	175.6	63.8	8.1	0	0	0	112.3	G89 T90 G95 A96 R97 D167	D87-G89 VanDerWaalsContact C-N 3.26Å; D87-T90 WeakPolarHBondContact O-CB 3.29Å; D87-T90 PolarHBondContact O-N 3.42Å; D87-T90 PolarHBondContact O-OG1 2.99Å; D87-G95 VanDerWaalsContact OD2-C 3.32Å; D87-G95 VanDerWaalsContact OD2-CA 3.3Å; D87-G95 WeakPolarHBondContact OD2-CA 3.34Å; D87-G95 PolarHBondContact OD2-N 3.39Å; D87-A96 HydrophobicContact CB-CB 3.97Å; D87-A96 PolarHBondContact OD2-N 3.14Å; D87-R97 HydrophobicContact CB-CB 4.36Å; D87-R97 VanDerWaalsContact CG-NE 3.33Å; D87-R97 IonicContact OD1-CZ 2.99Å; D87-R97 IonicContact OD1-NE 3.17Å; D87-R97 PolarHBondContact OD1-NE 2.96Å; D87-R97 IonicContact OD1-NH2 3.65Å; D87-R97 PolarHBondContact OD1-NH2 2.9Å; D87-R97 WeakPolarHBondContact OD2-CG 3.35Å; D87-R97 PolarHBondContact OD2-N 3.02Å; D87-R97 VanDerWaalsContact OD2-N 3.08Å; D87-R97 IonicContact OD2-NE 2.63Å; D87-R97 PolarHBondContact OD2-NE 3.21Å; D87-D167 WeakPolarHBondContact CA-OD2 3.36Å; D87-D167 HydrophobicContact CB-CB 4.32Å
88	T	97.6	Very high	98.5	Very high	50 Å²	50	34.4 Å²	34.4	31%	0.307	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5	-178.7	54.1	0	0	0	0	113	I86 L137 D167	I86-T88 HydrophobicContact CD1-CG2 3.85Å; I86-T88 WeakPolarHBondContact CD1-OG1 3.45Å; I86-T88 WeakPolarHBondContact CG1-OG1 2.98Å; T88-L137 WeakPolarHBondContact CG2-O 3.39Å; T88-D167 PolarHBondContact N-OD2 2.86Å
89	G	97.4	Very high	98.5	Very high	10 Å²	10	31.8 Å²	31.8	10%	0.103	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-8.4	168.4	0	0	0	0	0	113.4	D87 D167 H207	D87-G89 VanDerWaalsContact C-N 3.26Å; G89-D167 WeakPolarHBondContact CA-OD2 3.34Å; G89-D167 PolarHBondContact N-OD2 3.19Å; G89-H207 PolarHBondContact O-CD2 2.99Å; G89-H207 VanDerWaalsContact O-CD2 3.3Å; G89-H207 PolarHBondContact O-N 2.7Å
90	T	98	Very high	98.5	Very high	25 Å²	25	31.8 Å²	31.8	15%	0.153	17%	0.17	C	C	.	.			trans	-64.1	134.1	174.3	-54.6	0	0	0	0	111.8	D87 R93 D167	D87-T90 WeakPolarHBondContact O-CB 3.29Å; D87-T90 PolarHBondContact O-N 3.42Å; D87-T90 PolarHBondContact O-OG1 2.99Å; T90-R93 WeakPolarHBondContact CG2-O 3.12Å; T90-D167 PolarHBondContact N-OD2 3.24Å; T90-D167 VanDerWaalsContact OG1-CB 3.25Å; T90-D167 WeakPolarHBondContact OG1-CB 3.36Å; T90-D167 PolarHBondContact OG1-OD2 3.02Å
91	S	96.8	Very high	98.5	Very high	86 Å²	86	40.4 Å²	40.4	60%	0.601	20%	0.203	S	C	*	.	S	Bend	trans	-93.5	-19	-179.7	63.3	0	0	0	0	115.3	H207	S91-H207 PolarHBondContact N-NE2 3.27Å; S91-H207 PolarHBondContact OG-NE2 3.03Å
92	N	97.9	Very high	98.5	Very high	99 Å²	99	43.2 Å²	43.2	53%	0.529	22%	0.216	S	C	.	.	S	Bend	trans	-122.9	-93.5	-172.7	-174.1	38.4	0	0	0	112.7	P94 G295 T296	N92-P94 WeakPolarHBondContact O-CD 3.12Å; N92-G295 PolarHBondContact ND2-O 2.93Å; N92-T296 HydrophobicContact CB-CG2 4.48Å
93	R	98.6	Very high	98.5	Very high	99 Å²	99	43.1 Å²	43.1	37%	0.374	22%	0.215	S	C	.	.			trans	-96.8	108.1	-175.3	-69	171.8	-170.3	166.9	4.8	110.5	T90 G295 Y331	T90-R93 WeakPolarHBondContact CG2-O 3.12Å; R93-G295 WeakPolarHBondContact CB-O 3.42Å; R93-G295 WeakPolarHBondContact CD-O 2.92Å; R93-Y331 HydrophobicContact CB-CE2 3.77Å; R93-Y331 HydrophobicContact CG-CE1 4.32Å; R93-Y331 HydrophobicContact CG-CE2 4.38Å
94	P	98.6	Very high	98.5	Very high	70 Å²	70	44 Å²	44	46%	0.455	22%	0.218	S	C	.	.			trans	-75.3	169.6	177.1	34.3	-36.6	0	0	0	111.1	N92 Y331	N92-P94 WeakPolarHBondContact O-CD 3.12Å; P94-Y331 WeakPolarHBondContact O-CE2 3.36Å
95	G	98.7	Very high	98.5	Very high	4 Å²	4	45.9 Å²	45.9	4%	0.041	24%	0.235	C	C	.	.			trans	139.3	-16.1	176.5	0	0	0	0	0	113.3	D87 R97 F98 S328	D87-G95 VanDerWaalsContact OD2-C 3.32Å; D87-G95 VanDerWaalsContact OD2-CA 3.3Å; D87-G95 WeakPolarHBondContact OD2-CA 3.34Å; D87-G95 PolarHBondContact OD2-N 3.39Å; G95-R97 PolarHBondContact O-N 3.05Å; G95-R97 VanDerWaalsContact O-N 3.12Å; G95-F98 PolarHBondContact O-N 3.39Å; G95-S328 VanDerWaalsContact CA-OG 3.29Å; G95-S328 WeakPolarHBondContact CA-OG 3.14Å
96	A	98.8	Very high	98.5	Very high	2 Å²	2	46.9 Å²	46.9	2%	0.017	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-61.8	-20.6	-179.3	0	0	0	0	0	113.2	D87 F98 G99 G166 V327	D87-A96 HydrophobicContact CB-CB 3.97Å; D87-A96 PolarHBondContact OD2-N 3.14Å; A96-F98 PolarHBondContact O-N 2.99Å; A96-G99 PolarHBondContact O-N 2.77Å; A96-G166 WeakPolarHBondContact O-CA 3.47Å; A96-V327 WeakPolarHBondContact CA-O 3.36Å
97	R	98.8	Very high	98.5	Very high	79 Å²	79	46.9 Å²	46.9	30%	0.298	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-57.4	-20.9	171.4	73.1	179.6	70.9	-173.9	-2.8	113.8	P85 D87 G95	P85-R97 WeakPolarHBondContact CB-O 3.4Å; D87-R97 HydrophobicContact CB-CB 4.36Å; D87-R97 VanDerWaalsContact CG-NE 3.33Å; D87-R97 IonicContact OD1-CZ 2.99Å; D87-R97 IonicContact OD1-NE 3.17Å; D87-R97 PolarHBondContact OD1-NE 2.96Å; D87-R97 IonicContact OD1-NH2 3.65Å; D87-R97 PolarHBondContact OD1-NH2 2.9Å; D87-R97 WeakPolarHBondContact OD2-CG 3.35Å; D87-R97 PolarHBondContact OD2-N 3.02Å; D87-R97 VanDerWaalsContact OD2-N 3.08Å; D87-R97 IonicContact OD2-NE 2.63Å; D87-R97 PolarHBondContact OD2-NE 3.21Å; G95-R97 PolarHBondContact O-N 3.05Å; G95-R97 VanDerWaalsContact O-N 3.12Å
98	F	98.9	Very high	98.4	Very high	107 Å²	107	47.6 Å²	47.6	47%	0.469	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-93.1	-9.6	176.1	-58.7	-66.8	0	0	0	113.6	G95 A96 R101 Q102 P329 P330	G95-F98 PolarHBondContact O-N 3.39Å; A96-F98 PolarHBondContact O-N 2.99Å; F98-R101 PolarHBondContact O-N 3.18Å; F98-Q102 PolarHBondContact O-N 2.82Å; F98-Q102 VanDerWaalsContact O-N 3.17Å; F98-P329 HydrophobicContact CB-CB 4.35Å; F98-P329 HydrophobicContact CB-CG 3.81Å; F98-P330 HydrophobicContact CD2-CG 4.45Å
99	G	98.9	Very high	98.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-50.4	-53.9	-179.8	0	0	0	0	0	113.6	A96 R101 Q102 I103 V327	A96-G99 PolarHBondContact O-N 2.77Å; G99-R101 PolarHBondContact O-N 3.09Å; G99-R101 VanDerWaalsContact O-N 3.09Å; G99-Q102 PolarHBondContact O-N 3.34Å; G99-Q102 VanDerWaalsContact O-N 3.11Å; G99-I103 VanDerWaalsContact O-CG1 3.29Å; G99-I103 WeakPolarHBondContact O-CG1 3.45Å; G99-I103 PolarHBondContact O-N 3.01Å; G99-V327 WeakPolarHBondContact CA-O 3.41Å
100	P	98.9	Very high	98.3	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-31	-176.8	-25.8	35.9	0	0	0	113.3	P85 R104 L164 G165	P85-P100 HydrophobicContact CB-CG 4.18Å; P100-R104 VanDerWaalsContact O-CG 3.29Å; P100-R104 WeakPolarHBondContact O-CG 3.41Å; P100-R104 PolarHBondContact O-N 3.47Å; P100-R104 PolarHBondContact O-NH1 3.27Å; P100-L164 HydrophobicContact CB-CB 4Å; P100-L164 HydrophobicContact CG-CB 4.38Å; P100-L164 WeakPolarHBondContact CG-O 3.36Å; P100-G165 WeakPolarHBondContact CD-O 3.41Å; P100-G165 VanDerWaalsContact CG-O 3.28Å; P100-G165 WeakPolarHBondContact CG-O 3.48Å
101	R	98.8	Very high	98.2	Very high	180 Å²	180	56.2 Å²	56.2	68%	0.679	27%	0.271	S	S	*	.	H	α-helix	trans	-75	-45.3	178.2	-174.8	170.7	-67	169.5	2.1	111.6	F98 G99 R104 A105	F98-R101 PolarHBondContact O-N 3.18Å; G99-R101 PolarHBondContact O-N 3.09Å; G99-R101 VanDerWaalsContact O-N 3.09Å; R101-R104 PolarHBondContact O-N 3.47Å; R101-A105 PolarHBondContact O-N 3.41Å; R101-A105 VanDerWaalsContact O-N 3.15Å
102	Q	98.9	Very high	98.1	Very high	61 Å²	61	53.1 Å²	53.1	29%	0.285	25%	0.251	S	S	.	.	H	α-helix	trans	-68.6	-39.5	-179.6	-167.2	65.4	24	0	0	111.4	F98 G99 R104 A105 E106 P329 A338	F98-Q102 PolarHBondContact O-N 2.82Å; F98-Q102 VanDerWaalsContact O-N 3.17Å; G99-Q102 PolarHBondContact O-N 3.34Å; G99-Q102 VanDerWaalsContact O-N 3.11Å; Q102-R104 VanDerWaalsContact C-N 3.33Å; Q102-R104 PolarHBondContact O-N 3.11Å; Q102-A105 WeakPolarHBondContact O-CB 3.21Å; Q102-A105 PolarHBondContact O-N 3.26Å; Q102-A105 VanDerWaalsContact O-N 3.14Å; Q102-E106 PolarHBondContact NE2-OE1 3.46Å; Q102-E106 PolarHBondContact O-N 3.27Å; Q102-P329 HydrophobicContact CB-CB 4.19Å; Q102-P329 HydrophobicContact CB-CG 3.59Å; Q102-P329 HydrophobicContact CG-CB 4.36Å; Q102-P329 HydrophobicContact CG-CG 4.2Å; Q102-A338 HydrophobicContact CB-CB 3.94Å; Q102-A338 HydrophobicContact CG-CB 3.39Å
103	I	98.9	Very high	98.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.2	-44	175.6	-64.6	163.2	0	0	0	110.4	M65 G99 A105 E106 S107 L164 L324 V327 A338 A342 L345	M65-I103 HydrophobicContact SD-CG2 4.31Å; G99-I103 VanDerWaalsContact O-CG1 3.29Å; G99-I103 WeakPolarHBondContact O-CG1 3.45Å; G99-I103 PolarHBondContact O-N 3.01Å; I103-A105 VanDerWaalsContact C-N 3.31Å; I103-A105 PolarHBondContact O-N 2.79Å; I103-E106 PolarHBondContact O-N 3.19Å; I103-S107 VanDerWaalsContact O-CB 3.23Å; I103-S107 WeakPolarHBondContact O-CB 3.34Å; I103-S107 PolarHBondContact O-N 3.37Å; I103-L164 HydrophobicContact CB-CD2 3.77Å; I103-L164 HydrophobicContact CD1-CB 4.37Å; I103-L164 HydrophobicContact CD1-CD2 4.39Å; I103-L164 HydrophobicContact CG2-CD2 3.43Å; I103-L164 VanDerWaalsContact CG2-CD2 3.43Å; I103-L164 HydrophobicContact CG2-CG 4.4Å; I103-L324 HydrophobicContact CD1-CD1 3.87Å; I103-V327 HydrophobicContact CD1-CB 4.06Å; I103-V327 HydrophobicContact CD1-CG1 4.33Å; I103-V327 HydrophobicContact CD1-CG2 3.94Å; I103-V327 HydrophobicContact CG1-CB 4.42Å; I103-V327 HydrophobicContact CG1-CG1 4.14Å; I103-V327 HydrophobicContact CG1-CG2 4.37Å; I103-A338 HydrophobicContact CG1-CB 4.32Å; I103-A342 HydrophobicContact CG2-CB 3.96Å; I103-L345 HydrophobicContact CG2-CD1 3.82Å
104	R	98.9	Very high	98	Very high	18 Å²	18	49.9 Å²	49.9	7%	0.068	23%	0.233	C	C	.	.	H	α-helix	trans	-59.1	-41.1	175	-77.3	-176.9	-178.3	103	-8.8	112.6	S63 M65 P100 R101 Q102 S107 D129 G131 D132 L164	S63-R104 PolarHBondContact OG-O 3.01Å; M65-R104 HydrophobicContact CB-CG 4.19Å; P100-R104 VanDerWaalsContact O-CG 3.29Å; P100-R104 WeakPolarHBondContact O-CG 3.41Å; P100-R104 PolarHBondContact O-N 3.47Å; P100-R104 PolarHBondContact O-NH1 3.27Å; R101-R104 PolarHBondContact O-N 3.47Å; Q102-R104 VanDerWaalsContact C-N 3.33Å; Q102-R104 PolarHBondContact O-N 3.11Å; R104-S107 PolarHBondContact O-N 3.46Å; R104-S107 PolarHBondContact O-OG 3.21Å; R104-D129 WeakPolarHBondContact CD-OD2 3.34Å; R104-D129 IonicContact CZ-OD1 2.75Å; R104-D129 IonicContact CZ-OD2 3.61Å; R104-D129 IonicContact NE-OD1 3.43Å; R104-D129 IonicContact NE-OD2 2.8Å; R104-D129 PolarHBondContact NE-OD2 2.9Å; R104-D129 IonicContact NH2-OD1 3.09Å; R104-D129 PolarHBondContact NH2-OD1 2.99Å; R104-D129 VanDerWaalsContact NH2-OD1 3.17Å; R104-D129 IonicContact NH2-OD2 2.64Å; R104-G131 VanDerWaalsContact NH2-C 3.25Å; R104-G131 PolarHBondContact NH2-O 3.45Å; R104-D132 IonicContact CZ-OD1 3.96Å; R104-D132 IonicContact NH1-OD1 3.35Å; R104-D132 PolarHBondContact NH1-OD1 3.22Å; R104-D132 IonicContact NH1-OD2 3.62Å; R104-D132 IonicContact NH2-OD1 3.23Å; R104-D132 PolarHBondContact NH2-OD1 3.44Å; R104-L164 HydrophobicContact CG-CD2 4.25Å
105	A	98.6	Very high	97.9	Very high	41 Å²	41	52.2 Å²	52.2	34%	0.339	25%	0.251	S	S	.	.	H	α-helix	trans	-61	-51.4	176.7	0	0	0	0	0	111.7	S63 R101 Q102 I103 S107 A108	S63-A105 VanDerWaalsContact OG-CA 3.28Å; S63-A105 WeakPolarHBondContact OG-CA 3.29Å; S63-A105 PolarHBondContact OG-N 3.28Å; R101-A105 PolarHBondContact O-N 3.41Å; R101-A105 VanDerWaalsContact O-N 3.15Å; Q102-A105 WeakPolarHBondContact O-CB 3.21Å; Q102-A105 PolarHBondContact O-N 3.26Å; Q102-A105 VanDerWaalsContact O-N 3.14Å; I103-A105 VanDerWaalsContact C-N 3.31Å; I103-A105 PolarHBondContact O-N 2.79Å; A105-S107 VanDerWaalsContact C-N 3.3Å; A105-S107 PolarHBondContact O-N 3.39Å; A105-A108 WeakPolarHBondContact O-CB 3.14Å; A105-A108 PolarHBondContact O-N 2.89Å
106	E	98.6	Very high	97.7	Very high	48 Å²	48	54.5 Å²	54.5	22%	0.224	28%	0.275	C	S	.	.	H	α-helix	trans	-71.9	-24	-178.4	-60.4	-55.1	154.1	0	0	113.1	Q102 I103 A108 L109 A338 L339	Q102-E106 PolarHBondContact NE2-OE1 3.46Å; Q102-E106 PolarHBondContact O-N 3.27Å; I103-E106 PolarHBondContact O-N 3.19Å; E106-A108 PolarHBondContact O-N 3.27Å; E106-L109 PolarHBondContact O-N 3.18Å; E106-A338 HydrophobicContact CB-CB 4.45Å; E106-A338 HydrophobicContact CG-CB 3.85Å; E106-L339 HydrophobicContact CB-CB 4.14Å; E106-L339 HydrophobicContact CB-CD1 4.39Å; E106-L339 HydrophobicContact CG-CB 4.43Å
107	S	98.6	Very high	97.7	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.007	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-62.5	-13.9	177.1	79.7	0	0	0	0	114.1	M65 A66 I103 R104 A105 L109 L110	M65-S107 WeakPolarHBondContact SD-CB 3.31Å; A66-S107 PolarHBondContact N-OG 3.46Å; I103-S107 VanDerWaalsContact O-CB 3.23Å; I103-S107 WeakPolarHBondContact O-CB 3.34Å; I103-S107 PolarHBondContact O-N 3.37Å; R104-S107 PolarHBondContact O-N 3.46Å; R104-S107 PolarHBondContact O-OG 3.21Å; A105-S107 VanDerWaalsContact C-N 3.3Å; A105-S107 PolarHBondContact O-N 3.39Å; S107-L109 PolarHBondContact O-N 3.03Å; S107-L110 VanDerWaalsContact O-CB 3.31Å; S107-L110 WeakPolarHBondContact O-CB 3.22Å; S107-L110 WeakPolarHBondContact O-CG 3.39Å; S107-L110 PolarHBondContact O-N 3.16Å
108	A	97.4	Very high	97.6	Very high	19 Å²	19	59.1 Å²	59.1	16%	0.157	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-59.3	-17.7	175.6	0	0	0	0	0	113.5	R58 K67 A105 E106	R58-A108 WeakPolarHBondContact CD-O 3.47Å; R58-A108 PolarHBondContact NH1-O 3.4Å; K67-A108 HydrophobicContact CD-CB 4.26Å; K67-A108 HydrophobicContact CG-CB 4.39Å; A105-A108 WeakPolarHBondContact O-CB 3.14Å; A105-A108 PolarHBondContact O-N 2.89Å; E106-A108 PolarHBondContact O-N 3.27Å
109	L	96.1	Very high	97.6	Very high	88 Å²	88	54 Å²	54	46%	0.461	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-80.1	-16.5	175.3	-68.2	177.7	0	0	0	114.2	E106 S107 L339	E106-L109 PolarHBondContact O-N 3.18Å; S107-L109 PolarHBondContact O-N 3.03Å; L109-L339 HydrophobicContact CB-CD1 4.39Å; L109-L339 HydrophobicContact CD1-CD1 3.79Å; L109-L339 HydrophobicContact CD1-CD2 4.39Å
110	L	97	Very high	97.5	Very high	12 Å²	12	54.1 Å²	54.1	6%	0.063	27%	0.274	C	S	.	.			trans	-63.7	151.8	-178.8	-64.5	174.1	0	0	0	112.3	R58 M65 A66 S107 A342 F346	R58-L110 PolarHBondContact NH1-O 2.87Å; M65-L110 HydrophobicContact CE-CD1 4.07Å; A66-L110 HydrophobicContact CB-CD1 4.04Å; S107-L110 VanDerWaalsContact O-CB 3.31Å; S107-L110 WeakPolarHBondContact O-CB 3.22Å; S107-L110 WeakPolarHBondContact O-CG 3.39Å; S107-L110 PolarHBondContact O-N 3.16Å; L110-A342 HydrophobicContact CD1-CB 4.46Å; L110-F346 HydrophobicContact CD1-CB 4.1Å; L110-F346 HydrophobicContact CD2-CB 3.86Å; L110-F346 HydrophobicContact CD2-CG 4.2Å
111	R	95.7	Very high	97.5	Very high	165 Å²	165	54 Å²	54	62%	0.623	27%	0.274	S	S	*	.			trans	-120.1	169.5	178.7	-70	178.7	-176.5	78.2	-5.7	110.1	Y113 F346	R111-Y113 PolarHBondContact O-N 3.44Å; R111-F346 WeakPolarHBondContact O-CE2 3.33Å
112	A	95.4	Very high	97.5	Very high	22 Å²	22	45.6 Å²	45.6	18%	0.182	24%	0.242	C	C	.	.	S	Bend	trans	-73.3	-23.8	-173.6	0	0	0	0	0	114.6	V49 Y122	V49-A112 HydrophobicContact CG1-CB 4.32Å; A112-Y122 HydrophobicContact CB-CD2 3.98Å; A112-Y122 WeakPolarHBondContact O-CD2 3.33Å
113	Y	96.7	Very high	97.4	Very high	124 Å²	124	45.6 Å²	45.6	49%	0.486	24%	0.242	S	C	.	.	S	Bend	trans	-121.7	143.9	-173.5	-60.4	-88.5	0	0	0	111.3	R111 A120 E123 Y358	R111-Y113 PolarHBondContact O-N 3.44Å; Y113-A120 HydrophobicContact CD1-CB 3.65Å; Y113-A120 HydrophobicContact CE1-CB 3.67Å; Y113-E123 PolarHBondContact OH-OE1 3.13Å; Y113-Y358 HydrophobicContact CE1-CE2 4.32Å
114	N	97.9	Very high	97.3	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.027	25%	0.248	C	C	.	.			trans	-84.2	113.3	167.4	-168	-53	0	0	0	109.5	G116 T117 R118 A119 R312 F346 E347	N114-G116 VanDerWaalsContact C-N 3.34Å; N114-G116 PolarHBondContact O-N 2.86Å; N114-G116 PolarHBondContact OD1-N 3.4Å; N114-T117 WeakPolarHBondContact CB-OG1 3.28Å; N114-T117 PolarHBondContact OD1-N 2.74Å; N114-T117 PolarHBondContact OD1-OG1 2.88Å; N114-R118 WeakPolarHBondContact O-CA 3.42Å; N114-R118 PolarHBondContact O-N 3.43Å; N114-A119 HydrophobicContact CB-CB 3.97Å; N114-A119 PolarHBondContact N-O 3.42Å; N114-R312 PolarHBondContact OD1-NH2 2.82Å; N114-F346 HydrophobicContact CB-CE1 4.04Å; N114-F346 HydrophobicContact CB-CZ 4.43Å; N114-E347 PolarHBondContact ND2-OE1 3.04Å; N114-E347 PolarHBondContact ND2-OE2 3.08Å
115	S	95	Very high	97.3	Very high	120 Å²	120	45.9 Å²	45.9	84%	0.839	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-28.5	-177.8	53.6	0	0	0	0	113.5
116	G	95.5	Very high	97.2	Very high	52 Å²	52	45.8 Å²	45.8	54%	0.536	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-43.1	-178.7	0	0	0	0	0	113	N114	N114-G116 VanDerWaalsContact C-N 3.34Å; N114-G116 PolarHBondContact O-N 2.86Å; N114-G116 PolarHBondContact OD1-N 3.4Å
117	T	97.7	Very high	97.2	Very high	39 Å²	39	43.5 Å²	43.5	24%	0.239	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-10.9	-177.2	63.8	0	0	0	0	113.9	N114 A119 R312	N114-T117 WeakPolarHBondContact CB-OG1 3.28Å; N114-T117 PolarHBondContact OD1-N 2.74Å; N114-T117 PolarHBondContact OD1-OG1 2.88Å; T117-A119 PolarHBondContact O-N 3.03Å; T117-A119 WeakPolarHBondContact OG1-CB 3.38Å; T117-A119 PolarHBondContact OG1-N 3.47Å; T117-R312 HydrophobicContact CG2-CG 4.16Å
118	R	97.7	Very high	97.3	Very high	139 Å²	139	43.4 Å²	43.4	53%	0.525	23%	0.228	S	C	.	.			trans	59.5	24	-171	-53.3	-176.1	68.9	-152.2	-1.7	113.7	N114 Y357 Y358	N114-R118 WeakPolarHBondContact O-CA 3.42Å; N114-R118 PolarHBondContact O-N 3.43Å; R118-Y357 WeakPolarHBondContact O-CA 3.46Å; R118-Y358 WeakPolarHBondContact CB-O 3.49Å; R118-Y358 VanDerWaalsContact CD-O 3.29Å; R118-Y358 WeakPolarHBondContact CD-O 3.44Å; R118-Y358 VanDerWaalsContact CZ-O 3.25Å; R118-Y358 VanDerWaalsContact CZ-OXT 3.28Å; R118-Y358 PolarHBondContact NE-O 2.63Å; R118-Y358 PolarHBondContact NH1-O 2.68Å; R118-Y358 PolarHBondContact NH1-OXT 3.04Å; R118-Y358 PolarHBondContact O-N 2.99Å; R118-Y358 VanDerWaalsContact O-N 3.15Å
119	A	98.4	Very high	97.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-69.4	140.9	172.5	0	0	0	0	0	111.5	N114 T117 C350 V355 K356 Y357	N114-A119 HydrophobicContact CB-CB 3.97Å; N114-A119 PolarHBondContact N-O 3.42Å; T117-A119 PolarHBondContact O-N 3.03Å; T117-A119 WeakPolarHBondContact OG1-CB 3.38Å; T117-A119 PolarHBondContact OG1-N 3.47Å; A119-C350 HydrophobicContact CB-CB 3.85Å; A119-V355 HydrophobicContact CB-CG1 4.06Å; A119-K356 WeakPolarHBondContact CA-O 3.46Å; A119-Y357 HydrophobicContact CB-CD1 3.86Å; A119-Y357 HydrophobicContact CB-CE1 3.63Å
120	A	97.9	Very high	97.5	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.008	21%	0.205	C	C	.	.			trans	-130.2	69.1	180	0	0	0	0	0	110.5	Y113 Y122 E123 S124 K356 Y358	Y113-A120 HydrophobicContact CD1-CB 3.65Å; Y113-A120 HydrophobicContact CE1-CB 3.67Å; A120-Y122 VanDerWaalsContact C-N 3.29Å; A120-Y122 PolarHBondContact O-N 2.97Å; A120-E123 HydrophobicContact CB-CB 4.31Å; A120-E123 HydrophobicContact CB-CG 4.18Å; A120-E123 PolarHBondContact O-N 3.22Å; A120-E123 VanDerWaalsContact O-N 3.1Å; A120-S124 PolarHBondContact O-OG 3.19Å; A120-K356 PolarHBondContact N-O 3.06Å; A120-Y358 HydrophobicContact CB-CD2 4.11Å; A120-Y358 HydrophobicContact CB-CE2 3.66Å
121	P	98.1	Very high	97.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-59.1	-38.7	-171.2	23.4	-33.8	0	0	0	113	E123 S124 L125 F346 L349 V355	P121-E123 PolarHBondContact O-N 3.19Å; P121-E123 VanDerWaalsContact O-N 3.15Å; P121-S124 PolarHBondContact O-N 3.02Å; P121-S124 PolarHBondContact O-OG 3.21Å; P121-L125 WeakPolarHBondContact O-CB 3.29Å; P121-L125 PolarHBondContact O-N 3.26Å; P121-F346 HydrophobicContact CG-CE2 4.1Å; P121-L349 HydrophobicContact CB-CD1 4.22Å; P121-L349 HydrophobicContact CB-CD2 3.98Å; P121-L349 HydrophobicContact CB-CG 3.73Å; P121-L349 HydrophobicContact CG-CD2 4Å; P121-L349 HydrophobicContact CG-CG 4.09Å; P121-V355 HydrophobicContact CB-CG1 4.37Å; P121-V355 HydrophobicContact CB-CG2 4.34Å
122	Y	97.8	Very high	97.7	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.012	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-75	3.5	-178.8	-48.7	-62.2	0	0	0	114.6	Y47 P50 L68 A112 A120 F346 L349	Y47-Y122 WeakPolarHBondContact CB-O 3.33Å; P50-Y122 HydrophobicContact CG-CD2 4.03Å; P50-Y122 HydrophobicContact CG-CE1 4.28Å; P50-Y122 HydrophobicContact CG-CE2 3.66Å; P50-Y122 HydrophobicContact CG-CG 4.46Å; L68-Y122 HydrophobicContact CD1-CE1 4.04Å; L68-Y122 HydrophobicContact CD2-CD1 4.24Å; L68-Y122 HydrophobicContact CD2-CE1 4.04Å; A112-Y122 HydrophobicContact CB-CD2 3.98Å; A112-Y122 WeakPolarHBondContact O-CD2 3.33Å; A120-Y122 VanDerWaalsContact C-N 3.29Å; A120-Y122 PolarHBondContact O-N 2.97Å; Y122-F346 AromaticContact CE2-CE2 3.87Å; Y122-F346 HydrophobicContact CE2-CE2 3.87Å; Y122-L349 HydrophobicContact CE1-CD2 3.61Å
123	E	97	Very high	97.8	Very high	61 Å²	61	34.9 Å²	34.9	29%	0.285	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-108.1	-0.4	171.8	-60.8	-167.6	149.9	0	0	113.1	Y47 Y113 A120 P121 K356 Y358	Y47-E123 WeakPolarHBondContact CD2-O 3.47Å; Y47-E123 VanDerWaalsContact CE2-C 3.41Å; Y47-E123 WeakPolarHBondContact CE2-O 3.23Å; Y113-E123 PolarHBondContact OH-OE1 3.13Å; A120-E123 HydrophobicContact CB-CB 4.31Å; A120-E123 HydrophobicContact CB-CG 4.18Å; A120-E123 PolarHBondContact O-N 3.22Å; A120-E123 VanDerWaalsContact O-N 3.1Å; P121-E123 PolarHBondContact O-N 3.19Å; P121-E123 VanDerWaalsContact O-N 3.15Å; E123-K356 IonicContact OE2-NZ 3.89Å; E123-Y358 VanDerWaalsContact OE2-CE2 3.31Å; E123-Y358 WeakPolarHBondContact OE2-CE2 3.35Å; E123-Y358 VanDerWaalsContact OE2-CZ 3.3Å; E123-Y358 PolarHBondContact OE2-OH 3.4Å
124	S	97.1	Very high	97.9	Very high	18 Å²	18	35.1 Å²	35.1	13%	0.126	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.7	-23.1	-175.9	47.5	0	0	0	0	113.9	Y47 A120 P121 K354 V355 K356	Y47-S124 VanDerWaalsContact CE1-C 3.41Å; Y47-S124 WeakPolarHBondContact CE1-O 3.37Å; Y47-S124 PolarHBondContact OH-O 2.67Å; A120-S124 PolarHBondContact O-OG 3.19Å; P121-S124 PolarHBondContact O-N 3.02Å; P121-S124 PolarHBondContact O-OG 3.21Å; S124-K354 WeakPolarHBondContact CB-O 3.19Å; S124-V355 WeakPolarHBondContact OG-CA 3.06Å; S124-K356 PolarHBondContact OG-N 3.21Å
125	L	98.4	Very high	97.9	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.031	21%	0.208	C	C	.	.	S	Bend	trans	-120.5	138.1	-178.8	-58.2	-178.5	0	0	0	110.7	Y47 D78 P121 V127 L349 L352 K354 V355	Y47-L125 VanDerWaalsContact CD1-O 3.29Å; Y47-L125 WeakPolarHBondContact CD1-O 3.4Å; D78-L125 HydrophobicContact CB-CB 4.18Å; D78-L125 HydrophobicContact CB-CD2 3.91Å; P121-L125 WeakPolarHBondContact O-CB 3.29Å; P121-L125 PolarHBondContact O-N 3.26Å; L125-V127 HydrophobicContact CB-CG2 3.75Å; L125-V127 PolarHBondContact O-N 2.84Å; L125-L349 HydrophobicContact CD1-CD1 4.15Å; L125-L352 HydrophobicContact CD1-CB 4.24Å; L125-L352 HydrophobicContact CD1-CD1 4.43Å; L125-K354 HydrophobicContact CD2-CB 4.09Å; L125-V355 HydrophobicContact CD1-CG2 3.59Å; L125-V355 HydrophobicContact CG-CG2 4.23Å
126	M	98.4	Very high	98.1	Very high	38 Å²	38	32.1 Å²	32.1	19%	0.187	18%	0.178	C	C	.	.			trans	-82	109.5	166	-176.3	63.7	75.4	0	0	109.3	R46 Y47 N48 G76 L77 D78 A79	R46-M126 WeakPolarHBondContact O-CE 3.28Å; Y47-M126 HydrophobicContact CD1-CB 4.37Å; N48-M126 HydrophobicContact CB-SD 4.22Å; N48-M126 VanDerWaalsContact CG-SD 3.58Å; N48-M126 PolarHBondContact ND2-SD 3.29Å; G76-M126 WeakPolarHBondContact O-CG 3.48Å; L77-M126 HydrophobicContact CD2-CG 3.58Å; D78-M126 PolarHBondContact N-O 2.91Å; D78-M126 PolarHBondContact OD2-N 2.8Å; A79-M126 PolarHBondContact N-O 3.47Å
127	V	98.6	Very high	98.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.8	-174.6	-167.1	0	0	0	0	111.2	N48 L68 A79 F81 L125 L349	N48-V127 WeakPolarHBondContact CB-O 3.17Å; N48-V127 PolarHBondContact ND2-O 2.95Å; L68-V127 HydrophobicContact CD1-CB 4.25Å; L68-V127 HydrophobicContact CD1-CG1 3.82Å; A79-V127 HydrophobicContact CB-CG2 4.42Å; A79-V127 WeakPolarHBondContact O-CA 3.44Å; F81-V127 HydrophobicContact CD2-CG1 4.1Å; F81-V127 HydrophobicContact CE2-CG1 3.94Å; L125-V127 HydrophobicContact CB-CG2 3.75Å; L125-V127 PolarHBondContact O-N 2.84Å; V127-L349 HydrophobicContact CG1-CD1 4.44Å; V127-L349 HydrophobicContact CG2-CD1 4.01Å
128	A	98.7	Very high	98.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	166.3	173.1	0	0	0	0	0	111.2	P69 R71 L77 A80 F81	P69-A128 WeakPolarHBondContact O-CB 3.37Å; R71-A128 HydrophobicContact CB-CB 4.25Å; R71-A128 HydrophobicContact CG-CB 3.9Å; L77-A128 HydrophobicContact CD1-CB 3.79Å; L77-A128 HydrophobicContact CD2-CB 3.94Å; A80-A128 WeakPolarHBondContact CA-O 3.4Å; F81-A128 PolarHBondContact N-O 3.49Å
129	D	98.9	Very high	98.2	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.7	163.7	-171.7	-23.8	0	0	0	107.8	T64 M65 P69 Y70 R71 R104 G131	T64-D129 WeakPolarHBondContact CA-OD2 3.44Å; T64-D129 HydrophobicContact CG2-CB 4.28Å; M65-D129 HydrophobicContact CB-CB 4.34Å; M65-D129 WeakPolarHBondContact CB-OD2 3.43Å; M65-D129 PolarHBondContact N-OD2 2.73Å; P69-D129 PolarHBondContact O-N 3.31Å; Y70-D129 CarbonylContact C-O 3.52Å; Y70-D129 VanDerWaalsContact CA-O 3.26Å; Y70-D129 WeakPolarHBondContact CA-O 3.36Å; R71-D129 PolarHBondContact N-O 3.28Å; R104-D129 WeakPolarHBondContact CD-OD2 3.34Å; R104-D129 IonicContact CZ-OD1 2.75Å; R104-D129 IonicContact CZ-OD2 3.61Å; R104-D129 IonicContact NE-OD1 3.43Å; R104-D129 IonicContact NE-OD2 2.8Å; R104-D129 PolarHBondContact NE-OD2 2.9Å; R104-D129 IonicContact NH2-OD1 3.09Å; R104-D129 PolarHBondContact NH2-OD1 2.99Å; R104-D129 VanDerWaalsContact NH2-OD1 3.17Å; R104-D129 IonicContact NH2-OD2 2.64Å; D129-G131 WeakPolarHBondContact OD1-CA 3.49Å; D129-G131 PolarHBondContact OD1-N 3.09Å
130	I	98.7	Very high	98.2	Very high	25 Å²	25	39.7 Å²	39.7	13%	0.128	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	13.8	178.4	67.6	167.5	0	0	0	113.4	R71 T74 L77 A80 F81 I82 I154	R71-I130 HydrophobicContact CB-CG2 4.45Å; R71-I130 VanDerWaalsContact O-CA 3.24Å; R71-I130 WeakPolarHBondContact O-CA 3.19Å; R71-I130 WeakPolarHBondContact O-CB 3.42Å; T74-I130 HydrophobicContact CG2-CD1 3.65Å; T74-I130 HydrophobicContact CG2-CG2 4.19Å; L77-I130 HydrophobicContact CD1-CG2 3.94Å; A80-I130 HydrophobicContact CB-CD1 4.35Å; A80-I130 HydrophobicContact CB-CG1 4.36Å; A80-I130 HydrophobicContact CB-CG2 3.98Å; F81-I130 PolarHBondContact O-N 3.05Å; I82-I130 HydrophobicContact CB-CG1 4.33Å; I82-I130 HydrophobicContact CG1-CD1 3.48Å; I82-I130 VanDerWaalsContact CG1-CD1 3.48Å; I82-I130 HydrophobicContact CG1-CG1 3.57Å; I82-I130 HydrophobicContact CG2-CD1 4.42Å; I82-I130 HydrophobicContact CG2-CG1 4.36Å; I130-I154 HydrophobicContact CD1-CD1 3.86Å; I130-I154 HydrophobicContact CD1-CG1 3.92Å
131	G	98.7	Very high	98.1	Very high	16 Å²	16	44.7 Å²	44.7	17%	0.165	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79	-147.3	-179.2	0	0	0	0	0	112.3	G83 R104 D129	G83-G131 PolarHBondContact N-O 3.24Å; R104-G131 VanDerWaalsContact NH2-C 3.25Å; R104-G131 PolarHBondContact NH2-O 3.45Å; D129-G131 WeakPolarHBondContact OD1-CA 3.49Å; D129-G131 PolarHBondContact OD1-N 3.09Å
132	D	98.9	Very high	98.2	Very high	73 Å²	73	46.4 Å²	46.4	39%	0.39	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	148.3	-172.1	-62.5	-27.1	0	0	0	111.3	G83 P85 R104 N134	G83-D132 WeakPolarHBondContact CA-OD1 3.43Å; G83-D132 CarbonylContact O-C 3.53Å; G83-D132 VanDerWaalsContact O-CA 3.24Å; G83-D132 WeakPolarHBondContact O-CA 3.38Å; P85-D132 HydrophobicContact CG-CB 4.2Å; R104-D132 IonicContact CZ-OD1 3.96Å; R104-D132 IonicContact NH1-OD1 3.35Å; R104-D132 PolarHBondContact NH1-OD1 3.22Å; R104-D132 IonicContact NH1-OD2 3.62Å; R104-D132 IonicContact NH2-OD1 3.23Å; R104-D132 PolarHBondContact NH2-OD1 3.44Å; D132-N134 PolarHBondContact O-N 2.93Å
133	V	98.7	Very high	98.2	Very high	10 Å²	10	46.3 Å²	46.3	6%	0.061	23%	0.23	C	C	.	.			trans	-64.3	128.6	162.4	179.1	0	0	0	0	108.1	I82 G83 V84 V135 I147 A150 Y151	I82-V133 HydrophobicContact CG2-CG2 4.04Å; G83-V133 PolarHBondContact O-N 2.97Å; V84-V133 HydrophobicContact CG2-CB 4.44Å; V84-V133 HydrophobicContact CG2-CG2 4.05Å; V133-V135 HydrophobicContact CG1-CG1 4.45Å; V133-V135 PolarHBondContact O-N 3.47Å; V133-I147 HydrophobicContact CG1-CG1 4.08Å; V133-A150 HydrophobicContact CG1-CB 4.08Å; V133-A150 HydrophobicContact CG2-CB 3.89Å; V133-Y151 HydrophobicContact CG2-CE2 4.07Å
134	N	97.7	Very high	98.3	Very high	128 Å²	128	43.8 Å²	43.8	68%	0.684	22%	0.22	S	C	*	.			trans	-73.1	109.3	173.7	-171.9	24.8	0	0	0	109.7	D132 R146	D132-N134 PolarHBondContact O-N 2.93Å; N134-R146 WeakPolarHBondContact O-CD 3.48Å
135	V	98.3	Very high	98.4	Very high	22 Å²	22	50 Å²	50	13%	0.133	24%	0.244	C	C	.	.			trans	-98.6	162.9	-175.5	-61.4	0	0	0	0	112.3	V84 P85 I86 V133 L137 T143	V84-V135 HydrophobicContact CG1-CG1 4.28Å; P85-V135 HydrophobicContact CG-CG2 4.41Å; I86-V135 HydrophobicContact CB-CB 4.41Å; I86-V135 HydrophobicContact CB-CG1 4.25Å; I86-V135 HydrophobicContact CB-CG2 4.39Å; I86-V135 HydrophobicContact CD1-CB 4.45Å; I86-V135 HydrophobicContact CD1-CG2 4.28Å; V133-V135 HydrophobicContact CG1-CG1 4.45Å; V133-V135 PolarHBondContact O-N 3.47Å; V135-L137 HydrophobicContact CG2-CD2 3.91Å; V135-T143 HydrophobicContact CB-CG2 3.85Å; V135-T143 HydrophobicContact CG1-CG2 3.8Å
136	N	98.3	Very high	98.4	Very high	40 Å²	40	54.6 Å²	54.6	21%	0.214	26%	0.261	C	S	.	.			trans	-106.4	101.7	171.4	-174.6	-14.8	0	0	0	110.1	Y138 D139 D142 T143	N136-Y138 PolarHBondContact O-N 3.1Å; N136-Y138 PolarHBondContact OD1-N 3.39Å; N136-D139 CarbonylContact O-C 3.58Å; N136-D139 PolarHBondContact O-N 2.8Å; N136-D139 PolarHBondContact OD1-N 2.82Å; N136-D142 HydrophobicContact CB-CB 4.3Å; N136-D142 VanDerWaalsContact CB-OD2 3.3Å; N136-D142 WeakPolarHBondContact CB-OD2 3.35Å; N136-D142 PolarHBondContact ND2-OD2 2.84Å; N136-T143 WeakPolarHBondContact CA-OG1 3.46Å; N136-T143 PolarHBondContact N-OG1 2.76Å; N136-T143 PolarHBondContact O-OG1 2.69Å
137	L	97.5	Very high	98.4	Very high	69 Å²	69	52.9 Å²	52.9	36%	0.361	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-7.5	-177.6	-60.1	179.1	0	0	0	114.4	I86 T88 V135	I86-L137 HydrophobicContact CD1-CD2 3.75Å; T88-L137 WeakPolarHBondContact CG2-O 3.39Å; V135-L137 HydrophobicContact CG2-CD2 3.91Å
138	Y	97.9	Very high	98.4	Very high	220 Å²	220	53.5 Å²	53.5	86%	0.863	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-8.9	-177.9	-56	-73.2	0	0	0	113.2	N136	N136-Y138 PolarHBondContact O-N 3.1Å; N136-Y138 PolarHBondContact OD1-N 3.39Å
139	D	98.1	Very high	98.4	Very high	70 Å²	70	57 Å²	57	37%	0.374	27%	0.273	S	S	.	.			trans	-142	102.7	179.7	-173.5	-20.2	0	0	0	109.9	N136 K141 D142 T143	N136-D139 CarbonylContact O-C 3.58Å; N136-D139 PolarHBondContact O-N 2.8Å; N136-D139 PolarHBondContact OD1-N 2.82Å; D139-K141 VanDerWaalsContact C-N 3.3Å; D139-K141 PolarHBondContact O-N 2.7Å; D139-K141 WeakPolarHBondContact OD1-CA 3.37Å; D139-K141 WeakPolarHBondContact OD1-CB 3.33Å; D139-K141 PolarHBondContact OD1-N 2.93Å; D139-D142 HydrophobicContact CB-CB 3.81Å; D139-D142 PolarHBondContact O-N 3.48Å; D139-D142 PolarHBondContact OD1-N 3.17Å; D139-T143 PolarHBondContact O-N 3.49Å; D139-T143 PolarHBondContact O-OG1 2.89Å; D139-T143 VanDerWaalsContact O-OG1 3.07Å
140	L	97.8	Very high	98.4	Very high	31 Å²	31	58 Å²	58	16%	0.162	28%	0.282	C	S	.	.	H	α-helix	trans	-65.3	-33.5	179	-177.8	58.7	0	0	0	112	T143 C144 T169 I205	L140-T143 WeakPolarHBondContact O-CB 3.44Å; L140-T143 PolarHBondContact O-N 2.92Å; L140-C144 PolarHBondContact O-N 3.15Å; L140-C144 PolarHBondContact O-SG 3.49Å; L140-T169 HydrophobicContact CD1-CG2 4.21Å; L140-T169 HydrophobicContact CD2-CG2 4.39Å; L140-I205 HydrophobicContact CD2-CG2 4Å; L140-I205 HydrophobicContact CG-CG2 4.17Å
141	K	97.4	Very high	98.4	Very high	105 Å²	105	56.8 Å²	56.8	46%	0.457	28%	0.275	S	S	.	.	H	α-helix	trans	-72.4	-39.8	-179.5	-66.7	172.2	-177.4	162.2	0	110.5	D139 C144 K145 E203 I205	D139-K141 VanDerWaalsContact C-N 3.3Å; D139-K141 PolarHBondContact O-N 2.7Å; D139-K141 WeakPolarHBondContact OD1-CA 3.37Å; D139-K141 WeakPolarHBondContact OD1-CB 3.33Å; D139-K141 PolarHBondContact OD1-N 2.93Å; K141-C144 PolarHBondContact O-N 2.84Å; K141-K145 WeakPolarHBondContact O-CG 3.35Å; K141-K145 PolarHBondContact O-N 3.19Å; K141-E203 IonicContact NZ-OE1 3.96Å; K141-E203 IonicContact NZ-OE2 2.68Å; K141-E203 PolarHBondContact NZ-OE2 3.47Å; K141-I205 HydrophobicContact CG-CD1 4.37Å
142	D	98.6	Very high	98.4	Very high	36 Å²	36	60.6 Å²	60.6	19%	0.193	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-42.5	169.7	-175.2	51.8	0	0	0	111.4	N136 D139 C144 K145 R146	N136-D142 HydrophobicContact CB-CB 4.3Å; N136-D142 VanDerWaalsContact CB-OD2 3.3Å; N136-D142 WeakPolarHBondContact CB-OD2 3.35Å; N136-D142 PolarHBondContact ND2-OD2 2.84Å; D139-D142 HydrophobicContact CB-CB 3.81Å; D139-D142 PolarHBondContact O-N 3.48Å; D139-D142 PolarHBondContact OD1-N 3.17Å; D142-C144 PolarHBondContact O-N 3.41Å; D142-K145 WeakPolarHBondContact O-CB 3.07Å; D142-K145 PolarHBondContact O-N 2.92Å; D142-R146 WeakPolarHBondContact O-CG 3.21Å; D142-R146 PolarHBondContact O-N 3.02Å; D142-R146 IonicContact OD1-NE 3.96Å; D142-R146 IonicContact OD1-NH2 3.04Å; D142-R146 IonicContact OD2-CZ 3.84Å; D142-R146 VanDerWaalsContact OD2-CZ 3.3Å; D142-R146 IonicContact OD2-NE 3.33Å; D142-R146 PolarHBondContact OD2-NE 3.32Å; D142-R146 IonicContact OD2-NH2 2.7Å; D142-R146 PolarHBondContact OD2-NH2 2.84Å
143	T	98.6	Very high	98.4	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-58.2	-44.9	175	-67.2	0	0	0	0	112.2	I86 V135 N136 D139 L140 K145 R146 I147	I86-T143 HydrophobicContact CB-CG2 4.28Å; I86-T143 HydrophobicContact CD1-CG2 4.48Å; I86-T143 HydrophobicContact CG1-CG2 4.02Å; I86-T143 HydrophobicContact CG2-CG2 4.2Å; V135-T143 HydrophobicContact CB-CG2 3.85Å; V135-T143 HydrophobicContact CG1-CG2 3.8Å; N136-T143 WeakPolarHBondContact CA-OG1 3.46Å; N136-T143 PolarHBondContact N-OG1 2.76Å; N136-T143 PolarHBondContact O-OG1 2.69Å; D139-T143 PolarHBondContact O-N 3.49Å; D139-T143 PolarHBondContact O-OG1 2.89Å; D139-T143 VanDerWaalsContact O-OG1 3.07Å; L140-T143 WeakPolarHBondContact O-CB 3.44Å; L140-T143 PolarHBondContact O-N 2.92Å; T143-K145 VanDerWaalsContact C-N 3.33Å; T143-K145 PolarHBondContact O-N 3.32Å; T143-R146 PolarHBondContact O-N 3.21Å; T143-I147 HydrophobicContact CG2-CD1 3.63Å; T143-I147 HydrophobicContact CG2-CG1 4.24Å; T143-I147 WeakPolarHBondContact O-CG1 3.37Å; T143-I147 PolarHBondContact O-N 2.94Å
144	C	98.8	Very high	98.4	Very high	9 Å²	9	63.3 Å²	63.3	6%	0.061	29%	0.293	C	S	.	.	H	α-helix	trans	-55.6	-48.2	175.5	-68.4	0	0	0	0	111.4	L140 K141 D142 R146 I147 T148 P173	L140-C144 PolarHBondContact O-N 3.15Å; L140-C144 PolarHBondContact O-SG 3.49Å; K141-C144 PolarHBondContact O-N 2.84Å; D142-C144 PolarHBondContact O-N 3.41Å; C144-R146 VanDerWaalsContact C-N 3.33Å; C144-R146 PolarHBondContact O-N 2.94Å; C144-I147 PolarHBondContact O-N 3.08Å; C144-T148 PolarHBondContact O-N 3.46Å; C144-T148 PolarHBondContact O-OG1 2.82Å; C144-P173 HydrophobicContact CB-CB 4.07Å; C144-P173 HydrophobicContact CB-CG 4.21Å; C144-P173 VanDerWaalsContact O-CB 3.24Å; C144-P173 WeakPolarHBondContact O-CB 3.32Å
145	K	98.7	Very high	98.5	Very high	147 Å²	147	57.3 Å²	57.3	64%	0.639	26%	0.26	S	S	*	.	H	α-helix	trans	-59.2	-42.1	177.8	-65.6	171.2	-173.9	173.3	0	112.6	K141 D142 T143 T148 E149	K141-K145 WeakPolarHBondContact O-CG 3.35Å; K141-K145 PolarHBondContact O-N 3.19Å; D142-K145 WeakPolarHBondContact O-CB 3.07Å; D142-K145 PolarHBondContact O-N 2.92Å; T143-K145 VanDerWaalsContact C-N 3.33Å; T143-K145 PolarHBondContact O-N 3.32Å; K145-T148 PolarHBondContact O-N 3.39Å; K145-E149 WeakPolarHBondContact O-CB 3.21Å; K145-E149 PolarHBondContact O-N 3.44Å
146	R	98.8	Very high	98.5	Very high	104 Å²	104	60.2 Å²	60.2	39%	0.392	29%	0.287	S	S	.	.	H	α-helix	trans	-65	-40.6	178.4	-68.8	171.5	-174.8	-91.8	-4.6	111.8	N134 D142 T143 C144 A150	N134-R146 WeakPolarHBondContact O-CD 3.48Å; D142-R146 WeakPolarHBondContact O-CG 3.21Å; D142-R146 PolarHBondContact O-N 3.02Å; D142-R146 IonicContact OD1-NE 3.96Å; D142-R146 IonicContact OD1-NH2 3.04Å; D142-R146 IonicContact OD2-CZ 3.84Å; D142-R146 VanDerWaalsContact OD2-CZ 3.3Å; D142-R146 IonicContact OD2-NE 3.33Å; D142-R146 PolarHBondContact OD2-NE 3.32Å; D142-R146 IonicContact OD2-NH2 2.7Å; D142-R146 PolarHBondContact OD2-NH2 2.84Å; T143-R146 PolarHBondContact O-N 3.21Å; C144-R146 VanDerWaalsContact C-N 3.33Å; C144-R146 PolarHBondContact O-N 2.94Å; R146-A150 VanDerWaalsContact O-CB 3.31Å; R146-A150 WeakPolarHBondContact O-CB 3.22Å; R146-A150 PolarHBondContact O-N 3.46Å
147	I	98.9	Very high	98.5	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-52.2	175.7	-66.6	163.8	0	0	0	109.6	V84 V133 T143 C144 E149 A150 Y151 I170 P173 I174	V84-I147 HydrophobicContact CG1-CD1 3.58Å; V84-I147 HydrophobicContact CG1-CG1 3.86Å; V133-I147 HydrophobicContact CG1-CG1 4.08Å; T143-I147 HydrophobicContact CG2-CD1 3.63Å; T143-I147 HydrophobicContact CG2-CG1 4.24Å; T143-I147 WeakPolarHBondContact O-CG1 3.37Å; T143-I147 PolarHBondContact O-N 2.94Å; C144-I147 PolarHBondContact O-N 3.08Å; I147-E149 VanDerWaalsContact C-N 3.3Å; I147-E149 PolarHBondContact O-N 3.05Å; I147-A150 PolarHBondContact O-N 3.34Å; I147-A150 VanDerWaalsContact O-N 3.16Å; I147-Y151 HydrophobicContact CG2-CD2 3.84Å; I147-Y151 HydrophobicContact CG2-CE2 3.98Å; I147-Y151 VanDerWaalsContact O-CD2 3.31Å; I147-Y151 WeakPolarHBondContact O-CD2 3.45Å; I147-Y151 PolarHBondContact O-N 2.94Å; I147-I170 HydrophobicContact CD1-CB 4.37Å; I147-I170 HydrophobicContact CD1-CG2 4.11Å; I147-P173 HydrophobicContact CB-CB 3.93Å; I147-P173 HydrophobicContact CB-CG 3.91Å; I147-P173 HydrophobicContact CD1-CG 3.97Å; I147-P173 HydrophobicContact CG2-CB 3.9Å; I147-P173 HydrophobicContact CG2-CG 3.76Å; I147-I174 HydrophobicContact CG2-CD1 4.48Å; I147-I174 HydrophobicContact CG2-CG1 3.6Å
148	T	98.9	Very high	98.5	Very high	12 Å²	12	59.7 Å²	59.7	7%	0.074	30%	0.297	C	S	.	.	H	α-helix	trans	-54.7	-46.3	178.7	-47.7	0	0	0	0	111.5	C144 K145 Y151 R152 P173 Q176 A177	C144-T148 PolarHBondContact O-N 3.46Å; C144-T148 PolarHBondContact O-OG1 2.82Å; K145-T148 PolarHBondContact O-N 3.39Å; T148-Y151 PolarHBondContact O-N 3.24Å; T148-R152 WeakPolarHBondContact O-CB 3.45Å; T148-R152 PolarHBondContact O-N 3.21Å; T148-P173 WeakPolarHBondContact OG1-CB 3.49Å; T148-P173 PolarHBondContact OG1-O 2.92Å; T148-Q176 HydrophobicContact CG2-CB 3.98Å; T148-Q176 PolarHBondContact OG1-OE1 2.9Å; T148-A177 HydrophobicContact CG2-CB 4.23Å
149	E	98.8	Very high	98.5	Very high	74 Å²	74	49.3 Å²	49.3	35%	0.346	26%	0.256	S	S	.	.	H	α-helix	trans	-67.4	-38.6	179.9	178.6	58.6	-164.6	0	0	113.2	K145 I147 R152 K153	K145-E149 WeakPolarHBondContact O-CB 3.21Å; K145-E149 PolarHBondContact O-N 3.44Å; I147-E149 VanDerWaalsContact C-N 3.3Å; I147-E149 PolarHBondContact O-N 3.05Å; E149-R152 IonicContact OE2-CZ 3.24Å; E149-R152 IonicContact OE2-NH1 2.69Å; E149-R152 PolarHBondContact OE2-NH1 3.01Å; E149-K153 PolarHBondContact O-N 3.43Å; E149-K153 WeakPolarHBondContact OE1-CE 3.29Å; E149-K153 IonicContact OE1-NZ 2.89Å; E149-K153 PolarHBondContact OE1-NZ 2.99Å
150	A	98.8	Very high	98.5	Very high	24 Å²	24	47.4 Å²	47.4	20%	0.198	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-46	175.2	0	0	0	0	0	111.1	V133 R146 I147 R152 K153 I154	V133-A150 HydrophobicContact CG1-CB 4.08Å; V133-A150 HydrophobicContact CG2-CB 3.89Å; R146-A150 VanDerWaalsContact O-CB 3.31Å; R146-A150 WeakPolarHBondContact O-CB 3.22Å; R146-A150 PolarHBondContact O-N 3.46Å; I147-A150 PolarHBondContact O-N 3.34Å; I147-A150 VanDerWaalsContact O-N 3.16Å; A150-R152 PolarHBondContact O-N 2.93Å; A150-K153 PolarHBondContact O-N 3.29Å; A150-I154 WeakPolarHBondContact O-CG1 3.41Å; A150-I154 PolarHBondContact O-N 3.46Å
151	Y	98.9	Very high	98.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-68.9	-33.9	179.5	-83.6	-105.2	0	0	0	112.4	V84 V133 I147 T148 K153 I154 L155 P161 T163 I174	V84-Y151 HydrophobicContact CG2-CE2 4.16Å; V133-Y151 HydrophobicContact CG2-CE2 4.07Å; I147-Y151 HydrophobicContact CG2-CD2 3.84Å; I147-Y151 HydrophobicContact CG2-CE2 3.98Å; I147-Y151 VanDerWaalsContact O-CD2 3.31Å; I147-Y151 WeakPolarHBondContact O-CD2 3.45Å; I147-Y151 PolarHBondContact O-N 2.94Å; T148-Y151 PolarHBondContact O-N 3.24Å; Y151-K153 VanDerWaalsContact C-N 3.3Å; Y151-K153 PolarHBondContact O-N 3.36Å; Y151-I154 HydrophobicContact CD2-CD1 4.49Å; Y151-I154 PolarHBondContact O-N 2.87Å; Y151-L155 VanDerWaalsContact O-CB 3.22Å; Y151-L155 WeakPolarHBondContact O-CB 3.43Å; Y151-L155 WeakPolarHBondContact O-CD1 3.42Å; Y151-L155 WeakPolarHBondContact O-CG 3.46Å; Y151-L155 PolarHBondContact O-N 3.1Å; Y151-P161 HydrophobicContact CD1-CB 4.17Å; Y151-P161 HydrophobicContact CD1-CG 4.12Å; Y151-P161 HydrophobicContact CE1-CB 3.67Å; Y151-P161 HydrophobicContact CE1-CG 3.98Å; Y151-T163 WeakPolarHBondContact OH-CB 3.47Å; Y151-T163 WeakPolarHBondContact OH-CG2 3.42Å; Y151-T163 PolarHBondContact OH-OG1 2.97Å; Y151-I174 HydrophobicContact CD1-CB 4.3Å; Y151-I174 HydrophobicContact CD1-CG1 4.03Å; Y151-I174 HydrophobicContact CD1-CG2 3.65Å; Y151-I174 HydrophobicContact CD2-CG1 3.96Å; Y151-I174 HydrophobicContact CE1-CB 4.32Å; Y151-I174 HydrophobicContact CE1-CD1 3.95Å; Y151-I174 HydrophobicContact CE1-CG1 3.77Å; Y151-I174 HydrophobicContact CE1-CG2 3.66Å; Y151-I174 HydrophobicContact CE2-CD1 4.02Å; Y151-I174 HydrophobicContact CE2-CG1 3.71Å; Y151-I174 HydrophobicContact CG-CG1 4.1Å; Y151-I174 HydrophobicContact CG-CG2 4.34Å
152	R	98.8	Very high	98.7	Very high	96 Å²	96	41 Å²	41	36%	0.362	22%	0.217	S	C	.	.	H	α-helix	trans	-56.6	-44.6	171.9	-172.5	-179.9	-67.2	123.4	-0.6	111.5	T148 E149 A150 A156 E180	T148-R152 WeakPolarHBondContact O-CB 3.45Å; T148-R152 PolarHBondContact O-N 3.21Å; E149-R152 IonicContact OE2-CZ 3.24Å; E149-R152 IonicContact OE2-NH1 2.69Å; E149-R152 PolarHBondContact OE2-NH1 3.01Å; A150-R152 PolarHBondContact O-N 2.93Å; R152-A156 WeakPolarHBondContact O-CB 3.25Å; R152-A156 PolarHBondContact O-N 3.34Å; R152-E180 IonicContact CZ-OE1 2.99Å; R152-E180 IonicContact CZ-OE2 3.95Å; R152-E180 VanDerWaalsContact CZ-OE2 3.31Å; R152-E180 IonicContact NE-OE1 2.73Å; R152-E180 IonicContact NE-OE2 2.68Å; R152-E180 PolarHBondContact NE-OE2 3Å; R152-E180 VanDerWaalsContact NH2-CD 3.29Å; R152-E180 IonicContact NH2-OE1 3.26Å; R152-E180 PolarHBondContact NH2-OE1 2.71Å; R152-E180 IonicContact NH2-OE2 3.87Å; R152-E180 PolarHBondContact NH2-OE2 3.09Å
153	K	98.6	Very high	98.7	Very high	128 Å²	128	39.2 Å²	39.2	56%	0.557	21%	0.207	S	C	*	.	H	α-helix	trans	-66.3	-44.4	176.5	-68.5	172.6	-176.3	161.5	0	112.5	E149 A150 Y151 L155 A156	E149-K153 PolarHBondContact O-N 3.43Å; E149-K153 WeakPolarHBondContact OE1-CE 3.29Å; E149-K153 IonicContact OE1-NZ 2.89Å; E149-K153 PolarHBondContact OE1-NZ 2.99Å; A150-K153 PolarHBondContact O-N 3.29Å; Y151-K153 VanDerWaalsContact C-N 3.3Å; Y151-K153 PolarHBondContact O-N 3.36Å; K153-L155 VanDerWaalsContact C-N 3.34Å; K153-L155 PolarHBondContact O-N 2.99Å; K153-A156 PolarHBondContact O-N 3.17Å
154	I	98.7	Very high	98.7	Very high	11 Å²	11	39.2 Å²	39.2	6%	0.056	21%	0.207	C	C	.	.	H	α-helix	trans	-58.3	-49.9	177.4	-70.8	161.4	0	0	0	110.1	T74 I82 I130 A150 Y151 A156 T157 C159 P161	T74-I154 HydrophobicContact CG2-CB 4.36Å; T74-I154 HydrophobicContact CG2-CG1 4.01Å; T74-I154 HydrophobicContact CG2-CG2 4.16Å; I82-I154 HydrophobicContact CG1-CD1 4.03Å; I82-I154 HydrophobicContact CG2-CD1 4.43Å; I130-I154 HydrophobicContact CD1-CD1 3.86Å; I130-I154 HydrophobicContact CD1-CG1 3.92Å; A150-I154 WeakPolarHBondContact O-CG1 3.41Å; A150-I154 PolarHBondContact O-N 3.46Å; Y151-I154 HydrophobicContact CD2-CD1 4.49Å; Y151-I154 PolarHBondContact O-N 2.87Å; I154-A156 VanDerWaalsContact C-N 3.35Å; I154-A156 PolarHBondContact O-N 3.24Å; I154-T157 PolarHBondContact O-N 3.17Å; I154-T157 PolarHBondContact O-OG1 3.2Å; I154-C159 HydrophobicContact CG2-CB 4.36Å; I154-P161 HydrophobicContact CG2-CB 4.3Å
155	L	98.7	Very high	98.6	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-69.4	-32.2	-176.5	-72.3	168.7	0	0	0	111.9	Y151 K153 T157 G158 P161 A177 V178 K181	Y151-L155 VanDerWaalsContact O-CB 3.22Å; Y151-L155 WeakPolarHBondContact O-CB 3.43Å; Y151-L155 WeakPolarHBondContact O-CD1 3.42Å; Y151-L155 WeakPolarHBondContact O-CG 3.46Å; Y151-L155 PolarHBondContact O-N 3.1Å; K153-L155 VanDerWaalsContact C-N 3.34Å; K153-L155 PolarHBondContact O-N 2.99Å; L155-T157 PolarHBondContact O-N 3.43Å; L155-G158 PolarHBondContact O-N 3.08Å; L155-P161 HydrophobicContact CD2-CG 4.37Å; L155-A177 VanDerWaalsContact CD1-C 3.47Å; L155-A177 HydrophobicContact CD1-CB 4Å; L155-A177 WeakPolarHBondContact CD1-O 3.28Å; L155-V178 HydrophobicContact CD1-CB 4.41Å; L155-V178 HydrophobicContact CD1-CG2 3.91Å; L155-K181 HydrophobicContact CB-CD 3.69Å; L155-K181 HydrophobicContact CD2-CD 4.37Å; L155-K181 WeakPolarHBondContact O-CD 3.41Å; L155-K181 WeakPolarHBondContact O-CE 3.48Å; L155-K181 PolarHBondContact O-NZ 3.01Å
156	A	98.4	Very high	98.6	Very high	84 Å²	84	31.8 Å²	31.8	69%	0.694	17%	0.174	S	C	*	.	H	α-helix	trans	-58.7	-27.3	178.2	0	0	0	0	0	113.6	R152 K153 I154 G158	R152-A156 WeakPolarHBondContact O-CB 3.25Å; R152-A156 PolarHBondContact O-N 3.34Å; K153-A156 PolarHBondContact O-N 3.17Å; I154-A156 VanDerWaalsContact C-N 3.35Å; I154-A156 PolarHBondContact O-N 3.24Å; A156-G158 VanDerWaalsContact C-N 3.3Å
157	T	98.1	Very high	98.6	Very high	54 Å²	54	26.8 Å²	26.8	33%	0.331	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-5.9	177.5	68.5	0	0	0	0	113.8	T74 D75 I154 L155 C159	T74-T157 WeakPolarHBondContact CB-OG1 3.3Å; T74-T157 PolarHBondContact O-OG1 2.59Å; T74-T157 VanDerWaalsContact OG1-CG2 3.29Å; T74-T157 WeakPolarHBondContact OG1-CG2 3.41Å; T74-T157 PolarHBondContact OG1-OG1 3.31Å; D75-T157 WeakPolarHBondContact OD1-CG2 3.35Å; I154-T157 PolarHBondContact O-N 3.17Å; I154-T157 PolarHBondContact O-OG1 3.2Å; L155-T157 PolarHBondContact O-N 3.43Å; T157-C159 VanDerWaalsContact C-N 3.33Å; T157-C159 WeakPolarHBondContact OG1-CB 3.35Å
158	G	97.9	Very high	98.6	Very high	44 Å²	44	26.7 Å²	26.7	45%	0.454	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-2.4	-173.2	0	0	0	0	0	114.4	L155 A156	L155-G158 PolarHBondContact O-N 3.08Å; A156-G158 VanDerWaalsContact C-N 3.3Å
159	C	98.5	Very high	98.6	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-67.4	136.7	-179.9	-173.4	0	0	0	0	112.1	T74 A80 I154 T157	T74-C159 HydrophobicContact CG2-CB 4.24Å; A80-C159 VanDerWaalsContact CB-SG 3.56Å; A80-C159 PolarHBondContact N-SG 2.6Å; I154-C159 HydrophobicContact CG2-CB 4.36Å; T157-C159 VanDerWaalsContact C-N 3.33Å; T157-C159 WeakPolarHBondContact OG1-CB 3.35Å
160	I	98.9	Very high	98.6	Very high	31 Å²	31	22.9 Å²	22.9	16%	0.159	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	118.1	174	-60.6	171.8	0	0	0	109.4	D78 A79 A80 L352	D78-I160 PolarHBondContact O-N 3.35Å; A79-I160 VanDerWaalsContact CA-O 3.25Å; A79-I160 WeakPolarHBondContact CA-O 3.38Å; A79-I160 HydrophobicContact CB-CB 4.35Å; A80-I160 PolarHBondContact N-O 2.71Å; A80-I160 VanDerWaalsContact N-O 3.08Å; I160-L352 HydrophobicContact CB-CD1 4.35Å; I160-L352 HydrophobicContact CG2-CD1 4.04Å; I160-L352 HydrophobicContact CG2-CD2 3.95Å
161	P	98.9	Very high	98.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	135.3	178.1	29.7	-33.3	0	0	0	112.4	I82 Y151 I154 L155 V320 G321 C322	I82-P161 HydrophobicContact CD1-CB 3.5Å; I82-P161 VanDerWaalsContact CD1-CB 3.5Å; Y151-P161 HydrophobicContact CD1-CB 4.17Å; Y151-P161 HydrophobicContact CD1-CG 4.12Å; Y151-P161 HydrophobicContact CE1-CB 3.67Å; Y151-P161 HydrophobicContact CE1-CG 3.98Å; I154-P161 HydrophobicContact CG2-CB 4.3Å; L155-P161 HydrophobicContact CD2-CG 4.37Å; P161-V320 WeakPolarHBondContact CD-O 3.37Å; P161-G321 WeakPolarHBondContact O-CA 3.2Å; P161-C322 PolarHBondContact O-N 2.99Å
162	L	98.9	Very high	98.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	100	168	-67.9	161.7	0	0	0	108.2	A79 A80 F81 I82 C322 M348 L349 L352	A79-L162 HydrophobicContact CB-CD1 4.39Å; A80-L162 PolarHBondContact O-N 2.99Å; F81-L162 WeakPolarHBondContact CA-O 3.46Å; F81-L162 HydrophobicContact CD1-CB 3.62Å; F81-L162 HydrophobicContact CD1-CD1 4.18Å; F81-L162 HydrophobicContact CE1-CB 3.8Å; F81-L162 HydrophobicContact CE1-CD1 3.72Å; F81-L162 HydrophobicContact CE1-CG 4.36Å; F81-L162 HydrophobicContact CG-CB 4.49Å; F81-L162 HydrophobicContact CZ-CD1 3.97Å; I82-L162 PolarHBondContact N-O 2.8Å; I82-L162 VanDerWaalsContact N-O 3.1Å; L162-C322 HydrophobicContact CD2-CB 4.03Å; L162-M348 HydrophobicContact CD2-CB 3.96Å; L162-L349 HydrophobicContact CD1-CB 3.91Å; L162-L349 HydrophobicContact CD1-CD1 3.78Å; L162-L349 HydrophobicContact CD1-CG 4.37Å; L162-L352 HydrophobicContact CD1-CD1 4.13Å; L162-L352 HydrophobicContact CD2-CD1 4.4Å; L162-L352 HydrophobicContact CG-CD1 4.41Å
163	T	98.9	Very high	98.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	129	-165.6	-53.5	0	0	0	0	112.3	I82 V84 Y151 I170 I174 C322 D323 L324	I82-T163 CarbonylContact O-C 3.42Å; I82-T163 VanDerWaalsContact O-CA 3.32Å; I82-T163 WeakPolarHBondContact O-CA 3.48Å; V84-T163 HydrophobicContact CG2-CG2 3.77Å; Y151-T163 WeakPolarHBondContact OH-CB 3.47Å; Y151-T163 WeakPolarHBondContact OH-CG2 3.42Å; Y151-T163 PolarHBondContact OH-OG1 2.97Å; T163-I170 HydrophobicContact CG2-CD1 3.96Å; T163-I174 HydrophobicContact CG2-CD1 4.08Å; T163-C322 PolarHBondContact N-O 2.99Å; T163-C322 PolarHBondContact OG1-O 3.27Å; T163-D323 HydrophobicContact CG2-CB 4.23Å; T163-D323 WeakPolarHBondContact O-CA 3.49Å; T163-L324 PolarHBondContact O-N 2.83Å
164	L	98.9	Very high	98.6	Very high	0 Å²	0	12 Å²	12	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	109.2	165.4	-57.3	87.8	0	0	0	107	M65 F81 I82 G83 V84 P100 I103 R104 L345	M65-L164 HydrophobicContact SD-CD2 4.12Å; F81-L164 HydrophobicContact CB-CD1 3.96Å; F81-L164 HydrophobicContact CD1-CD1 4.2Å; I82-L164 WeakPolarHBondContact O-CD1 3.34Å; I82-L164 PolarHBondContact O-N 3.35Å; G83-L164 CarbonylContact C-O 3.51Å; G83-L164 VanDerWaalsContact CA-O 3.3Å; G83-L164 WeakPolarHBondContact CA-O 3.4Å; V84-L164 PolarHBondContact N-O 2.94Å; P100-L164 HydrophobicContact CB-CB 4Å; P100-L164 HydrophobicContact CG-CB 4.38Å; P100-L164 WeakPolarHBondContact CG-O 3.36Å; I103-L164 HydrophobicContact CB-CD2 3.77Å; I103-L164 HydrophobicContact CD1-CB 4.37Å; I103-L164 HydrophobicContact CD1-CD2 4.39Å; I103-L164 HydrophobicContact CG2-CD2 3.43Å; I103-L164 VanDerWaalsContact CG2-CD2 3.43Å; I103-L164 HydrophobicContact CG2-CG 4.4Å; R104-L164 HydrophobicContact CG-CD2 4.25Å; L164-L345 HydrophobicContact CD2-CD1 4.09Å; L164-L345 HydrophobicContact CG-CD1 3.73Å
165	G	97.2	Very high	98.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.084	C	C	.	.			trans	-82.6	168.3	-168.6	0	0	0	0	0	114.9	V84 P100 I170 L324	V84-G165 CarbonylContact O-C 3.57Å; P100-G165 WeakPolarHBondContact CD-O 3.41Å; P100-G165 VanDerWaalsContact CG-O 3.28Å; P100-G165 WeakPolarHBondContact CG-O 3.48Å; G165-I170 VanDerWaalsContact CA-CD1 3.45Å; G165-L324 WeakPolarHBondContact CA-O 3.44Å; G165-L324 PolarHBondContact N-O 2.73Å
166	G	98	Very high	98.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-101.1	-127.7	149.4	0	0	0	0	0	107.8	V84 I86 A96 E326	V84-G166 PolarHBondContact O-N 3.49Å; I86-G166 CarbonylContact O-C 3.49Å; I86-G166 WeakPolarHBondContact O-CA 3.36Å; A96-G166 WeakPolarHBondContact O-CA 3.47Å; G166-E326 PolarHBondContact O-N 2.59Å
167	D	98.8	Very high	98.7	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-70.7	162.3	176.4	78.8	37.2	0	0	0	112.9	I86 D87 T88 G89 T90 T169 I170 H207 E326	I86-D167 PolarHBondContact O-N 3.26Å; D87-D167 WeakPolarHBondContact CA-OD2 3.36Å; D87-D167 HydrophobicContact CB-CB 4.32Å; T88-D167 PolarHBondContact N-OD2 2.86Å; G89-D167 WeakPolarHBondContact CA-OD2 3.34Å; G89-D167 PolarHBondContact N-OD2 3.19Å; T90-D167 PolarHBondContact N-OD2 3.24Å; T90-D167 VanDerWaalsContact OG1-CB 3.25Å; T90-D167 WeakPolarHBondContact OG1-CB 3.36Å; T90-D167 PolarHBondContact OG1-OD2 3.02Å; D167-T169 PolarHBondContact O-N 2.9Å; D167-T169 WeakPolarHBondContact OD1-CA 3.45Å; D167-T169 WeakPolarHBondContact OD1-CB 3.27Å; D167-T169 PolarHBondContact OD1-N 2.87Å; D167-T169 PolarHBondContact OD1-OG1 3.46Å; D167-I170 WeakPolarHBondContact O-CG1 3.47Å; D167-I170 WeakPolarHBondContact O-CG2 3.31Å; D167-I170 PolarHBondContact O-N 3.42Å; D167-H207 HydrophobicContact CB-CB 4.17Å; D167-E326 WeakPolarHBondContact CA-OE1 3.27Å; D167-E326 WeakPolarHBondContact CB-OE1 3.23Å
168	H	98.9	Very high	98.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-68.5	-7.2	-174	-144.6	156.1	0	0	0	114.1	I170 A171 H189 D191 D195 H207 F211 S280 D282 V325 E326	H168-I170 PolarHBondContact O-N 2.76Å; H168-I170 VanDerWaalsContact O-N 3.08Å; H168-A171 PolarHBondContact O-N 3.29Å; H168-H189 AromaticContact CE1-CD2 3.81Å; H168-H189 AromaticContact CE1-NE2 3.28Å; H168-H189 PolarHBondContact CE1-NE2 3.4Å; H168-H189 VanDerWaalsContact CE1-NE2 3.28Å; H168-D191 IonicContact CE1-OD2 3.77Å; H168-D191 PolarHBondContact CE1-OD2 3.07Å; H168-D191 IonicContact ND1-OD2 3.62Å; H168-D191 PolarHBondContact ND1-OD2 3.17Å; H168-D195 IonicContact CG-OD2 2.83Å; H168-D195 IonicContact ND1-OD2 3.85Å; H168-D195 PolarHBondContact ND1-OD2 3.13Å; H168-D195 VanDerWaalsContact ND1-OD2 3.09Å; H168-H207 HydrophobicContact CB-CB 4.41Å; H168-F211 AromaticContact CE1-CE2 3.9Å; H168-F211 AromaticContact NE2-CE2 3.84Å; H168-F211 AromaticContact NE2-CZ 3.55Å; H168-S280 PolarHBondContact CE1-OG 3.31Å; H168-S280 PolarHBondContact NE2-OG 3.1Å; H168-D282 IonicContact CG-OD2 3.79Å; H168-D282 IonicContact ND1-OD2 3.58Å; H168-D282 PolarHBondContact ND1-OD2 3.06Å; H168-V325 HydrophobicContact CB-CG2 4.17Å; H168-E326 PolarHBondContact N-OE1 3Å
169	T	98.8	Very high	98.7	Very high	4 Å²	4	5.4 Å²	5.4	3%	0.025	3%	0.028	C	C	.	.	G	3₁₀ helix	trans	-57.8	-29.1	174.4	-44.1	0	0	0	0	111.5	L140 D167 A171 Y172 P173 I205 H207	L140-T169 HydrophobicContact CD1-CG2 4.21Å; L140-T169 HydrophobicContact CD2-CG2 4.39Å; D167-T169 PolarHBondContact O-N 2.9Å; D167-T169 WeakPolarHBondContact OD1-CA 3.45Å; D167-T169 WeakPolarHBondContact OD1-CB 3.27Å; D167-T169 PolarHBondContact OD1-N 2.87Å; D167-T169 PolarHBondContact OD1-OG1 3.46Å; T169-A171 PolarHBondContact O-N 3.38Å; T169-Y172 PolarHBondContact O-N 2.89Å; T169-P173 WeakPolarHBondContact O-CD 3.45Å; T169-I205 HydrophobicContact CG2-CG2 3.59Å; T169-H207 WeakPolarHBondContact OG1-CA 3.35Å; T169-H207 PolarHBondContact OG1-N 3.05Å
170	I	98.9	Very high	98.8	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.01	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-62.8	-25.2	-176.6	71.8	171.7	0	0	0	113.2	V84 I86 I147 T163 G165 D167 H168 Y172 P173 I174 V325	V84-I170 HydrophobicContact CB-CD1 3.91Å; V84-I170 HydrophobicContact CB-CG2 4.23Å; V84-I170 HydrophobicContact CG1-CB 4.12Å; V84-I170 HydrophobicContact CG1-CD1 4.36Å; V84-I170 HydrophobicContact CG1-CG2 3.55Å; V84-I170 HydrophobicContact CG2-CD1 4.31Å; I86-I170 HydrophobicContact CG2-CG2 3.46Å; I86-I170 VanDerWaalsContact CG2-CG2 3.46Å; I147-I170 HydrophobicContact CD1-CB 4.37Å; I147-I170 HydrophobicContact CD1-CG2 4.11Å; T163-I170 HydrophobicContact CG2-CD1 3.96Å; G165-I170 VanDerWaalsContact CA-CD1 3.45Å; D167-I170 WeakPolarHBondContact O-CG1 3.47Å; D167-I170 WeakPolarHBondContact O-CG2 3.31Å; D167-I170 PolarHBondContact O-N 3.42Å; H168-I170 PolarHBondContact O-N 2.76Å; H168-I170 VanDerWaalsContact O-N 3.08Å; I170-Y172 PolarHBondContact O-N 2.95Å; I170-P173 VanDerWaalsContact O-CD 3.24Å; I170-P173 WeakPolarHBondContact O-CD 3.32Å; I170-P173 WeakPolarHBondContact O-CG 3.21Å; I170-I174 HydrophobicContact CB-CD1 4.29Å; I170-I174 HydrophobicContact CD1-CD1 4.21Å; I170-I174 HydrophobicContact CG1-CD1 4.13Å; I170-I174 WeakPolarHBondContact O-CB 3.24Å; I170-I174 WeakPolarHBondContact O-CD1 3.49Å; I170-I174 WeakPolarHBondContact O-CG1 3.34Å; I170-I174 PolarHBondContact O-N 3.1Å; I170-V325 HydrophobicContact CD1-CG1 3.96Å; I170-V325 HydrophobicContact CG1-CG1 4.14Å
171	A	98.9	Very high	98.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.5	-37	-179.6	0	0	0	0	0	111.2	H168 T169 I174 L175 P210 F211	H168-A171 PolarHBondContact O-N 3.29Å; T169-A171 PolarHBondContact O-N 3.38Å; A171-I174 PolarHBondContact O-N 3.26Å; A171-L175 VanDerWaalsContact O-CB 3.29Å; A171-L175 WeakPolarHBondContact O-CB 3.36Å; A171-L175 VanDerWaalsContact O-CG 3.29Å; A171-L175 WeakPolarHBondContact O-CG 2.99Å; A171-L175 PolarHBondContact O-N 2.86Å; A171-P210 HydrophobicContact CB-CB 4.4Å; A171-F211 HydrophobicContact CB-CE1 4.27Å; A171-F211 HydrophobicContact CB-CZ 4.21Å
172	Y	98.9	Very high	98.7	Very high	20 Å²	20	16.6 Å²	16.6	8%	0.078	8%	0.078	C	C	.	.	H	α-helix	trans	-60	-60.2	-179.9	170.1	-131.3	0	0	0	113.7	T169 I170 I174 L175 Q176 I205 R213 E217 L219	T169-Y172 PolarHBondContact O-N 2.89Å; I170-Y172 PolarHBondContact O-N 2.95Å; Y172-I174 VanDerWaalsContact C-N 3.26Å; Y172-I174 PolarHBondContact O-N 3.5Å; Y172-L175 PolarHBondContact O-N 3.45Å; Y172-Q176 HydrophobicContact CD2-CG 4.34Å; Y172-Q176 HydrophobicContact CE2-CG 4.01Å; Y172-Q176 PolarHBondContact O-N 3.26Å; Y172-Q176 VanDerWaalsContact O-N 3.07Å; Y172-Q176 PolarHBondContact OH-NE2 2.9Å; Y172-I205 HydrophobicContact CE1-CD1 4.37Å; Y172-I205 HydrophobicContact CE1-CG1 4.49Å; Y172-R213 HydrophobicContact CD1-CB 4.33Å; Y172-R213 HydrophobicContact CD2-CB 3.6Å; Y172-R213 HydrophobicContact CE1-CB 4.19Å; Y172-R213 HydrophobicContact CE1-CG 4.41Å; Y172-R213 HydrophobicContact CE2-CB 3.45Å; Y172-R213 VanDerWaalsContact CE2-CB 3.45Å; Y172-R213 HydrophobicContact CE2-CG 4.48Å; Y172-R213 HydrophobicContact CG-CB 4.04Å; Y172-E217 PolarHBondContact OH-OE1 3.19Å; Y172-E217 PolarHBondContact OH-OE2 2.89Å; Y172-L219 HydrophobicContact CD2-CD1 4.27Å; Y172-L219 HydrophobicContact CE2-CD1 4.2Å
173	P	98.9	Very high	98.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.8	-25.5	178.2	26.1	-35.1	0	0	0	113.8	C144 I147 T148 T169 I170	C144-P173 HydrophobicContact CB-CB 4.07Å; C144-P173 HydrophobicContact CB-CG 4.21Å; C144-P173 VanDerWaalsContact O-CB 3.24Å; C144-P173 WeakPolarHBondContact O-CB 3.32Å; I147-P173 HydrophobicContact CB-CB 3.93Å; I147-P173 HydrophobicContact CB-CG 3.91Å; I147-P173 HydrophobicContact CD1-CG 3.97Å; I147-P173 HydrophobicContact CG2-CB 3.9Å; I147-P173 HydrophobicContact CG2-CG 3.76Å; T148-P173 WeakPolarHBondContact OG1-CB 3.49Å; T148-P173 PolarHBondContact OG1-O 2.92Å; T169-P173 WeakPolarHBondContact O-CD 3.45Å; I170-P173 VanDerWaalsContact O-CD 3.24Å; I170-P173 WeakPolarHBondContact O-CD 3.32Å; I170-P173 WeakPolarHBondContact O-CG 3.21Å
174	I	98.9	Very high	98.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-66.6	-49.1	171.9	-67.9	169.8	0	0	0	110.2	I147 Y151 T163 I170 A171 Y172 Q176 A177 V178 Y278	I147-I174 HydrophobicContact CG2-CD1 4.48Å; I147-I174 HydrophobicContact CG2-CG1 3.6Å; Y151-I174 HydrophobicContact CD1-CB 4.3Å; Y151-I174 HydrophobicContact CD1-CG1 4.03Å; Y151-I174 HydrophobicContact CD1-CG2 3.65Å; Y151-I174 HydrophobicContact CD2-CG1 3.96Å; Y151-I174 HydrophobicContact CE1-CB 4.32Å; Y151-I174 HydrophobicContact CE1-CD1 3.95Å; Y151-I174 HydrophobicContact CE1-CG1 3.77Å; Y151-I174 HydrophobicContact CE1-CG2 3.66Å; Y151-I174 HydrophobicContact CE2-CD1 4.02Å; Y151-I174 HydrophobicContact CE2-CG1 3.71Å; Y151-I174 HydrophobicContact CG-CG1 4.1Å; Y151-I174 HydrophobicContact CG-CG2 4.34Å; T163-I174 HydrophobicContact CG2-CD1 4.08Å; I170-I174 HydrophobicContact CB-CD1 4.29Å; I170-I174 HydrophobicContact CD1-CD1 4.21Å; I170-I174 HydrophobicContact CG1-CD1 4.13Å; I170-I174 WeakPolarHBondContact O-CB 3.24Å; I170-I174 WeakPolarHBondContact O-CD1 3.49Å; I170-I174 WeakPolarHBondContact O-CG1 3.34Å; I170-I174 PolarHBondContact O-N 3.1Å; A171-I174 PolarHBondContact O-N 3.26Å; Y172-I174 VanDerWaalsContact C-N 3.26Å; Y172-I174 PolarHBondContact O-N 3.5Å; I174-Q176 VanDerWaalsContact C-N 3.26Å; I174-Q176 PolarHBondContact O-N 3.06Å; I174-A177 PolarHBondContact O-N 2.86Å; I174-A177 VanDerWaalsContact O-N 3.1Å; I174-V178 HydrophobicContact CG2-CG2 4.12Å; I174-V178 WeakPolarHBondContact O-CG2 3.41Å; I174-V178 PolarHBondContact O-N 2.95Å; I174-Y278 HydrophobicContact CG2-CE2 3.92Å; I174-Y278 WeakPolarHBondContact CG2-OH 3.35Å
175	L	98.9	Very high	98.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-28.8	-179.2	-77.4	168.1	0	0	0	112.6	A171 Y172 V178 A179 V185 F211 C214 L219 L220 Y278	A171-L175 VanDerWaalsContact O-CB 3.29Å; A171-L175 WeakPolarHBondContact O-CB 3.36Å; A171-L175 VanDerWaalsContact O-CG 3.29Å; A171-L175 WeakPolarHBondContact O-CG 2.99Å; A171-L175 PolarHBondContact O-N 2.86Å; Y172-L175 PolarHBondContact O-N 3.45Å; L175-V178 PolarHBondContact O-N 2.92Å; L175-A179 VanDerWaalsContact O-CB 3.24Å; L175-A179 WeakPolarHBondContact O-CB 3.43Å; L175-A179 PolarHBondContact O-N 2.99Å; L175-V185 HydrophobicContact CD2-CG2 3.83Å; L175-F211 HydrophobicContact CD1-CD1 4.22Å; L175-F211 HydrophobicContact CD1-CE1 3.96Å; L175-C214 VanDerWaalsContact CD1-SG 3.55Å; L175-L219 HydrophobicContact CB-CD1 4.36Å; L175-L220 HydrophobicContact CD1-CD2 4.25Å; L175-L220 HydrophobicContact CD2-CD2 4.33Å; L175-Y278 HydrophobicContact CD2-CD1 4.14Å; L175-Y278 HydrophobicContact CD2-CD2 4.14Å; L175-Y278 HydrophobicContact CD2-CG 3.81Å
176	Q	98.9	Very high	98.8	Very high	39 Å²	39	21.2 Å²	21.2	18%	0.182	11%	0.114	C	C	.	.	H	α-helix	trans	-57	-52	169.3	-72.5	-179.7	-45.9	0	0	111	T148 Y172 I174 A179 E180 E217 L219	T148-Q176 HydrophobicContact CG2-CB 3.98Å; T148-Q176 PolarHBondContact OG1-OE1 2.9Å; Y172-Q176 HydrophobicContact CD2-CG 4.34Å; Y172-Q176 HydrophobicContact CE2-CG 4.01Å; Y172-Q176 PolarHBondContact O-N 3.26Å; Y172-Q176 VanDerWaalsContact O-N 3.07Å; Y172-Q176 PolarHBondContact OH-NE2 2.9Å; I174-Q176 VanDerWaalsContact C-N 3.26Å; I174-Q176 PolarHBondContact O-N 3.06Å; Q176-A179 PolarHBondContact O-N 2.84Å; Q176-E180 WeakPolarHBondContact O-CG 3.4Å; Q176-E180 PolarHBondContact O-N 2.62Å; Q176-E217 PolarHBondContact NE2-OE2 3.46Å; Q176-L219 HydrophobicContact CB-CD1 4.33Å; Q176-L219 HydrophobicContact CG-CD1 3.56Å; Q176-L219 HydrophobicContact CG-CD2 4.49Å
177	A	98.9	Very high	98.8	Very high	2 Å²	2	21.3 Å²	21.3	2%	0.017	11%	0.114	C	C	.	.	H	α-helix	trans	-67.7	-36.6	179.1	0	0	0	0	0	113	T148 L155 I174 K181	T148-A177 HydrophobicContact CG2-CB 4.23Å; L155-A177 VanDerWaalsContact CD1-C 3.47Å; L155-A177 HydrophobicContact CD1-CB 4Å; L155-A177 WeakPolarHBondContact CD1-O 3.28Å; I174-A177 PolarHBondContact O-N 2.86Å; I174-A177 VanDerWaalsContact O-N 3.1Å; A177-K181 PolarHBondContact O-N 3.1Å
178	V	98.9	Very high	98.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.3	-47.9	175.9	171.6	0	0	0	0	110.7	L155 I174 L175 K181 H182 V185 Y278 V320	L155-V178 HydrophobicContact CD1-CB 4.41Å; L155-V178 HydrophobicContact CD1-CG2 3.91Å; I174-V178 HydrophobicContact CG2-CG2 4.12Å; I174-V178 WeakPolarHBondContact O-CG2 3.41Å; I174-V178 PolarHBondContact O-N 2.95Å; L175-V178 PolarHBondContact O-N 2.92Å; V178-K181 PolarHBondContact O-N 2.97Å; V178-H182 WeakPolarHBondContact O-CB 3.46Å; V178-H182 PolarHBondContact O-CD2 2.94Å; V178-H182 PolarHBondContact O-N 2.82Å; V178-V185 HydrophobicContact CG1-CG1 3.71Å; V178-V185 HydrophobicContact CG1-CG2 4.33Å; V178-Y278 HydrophobicContact CG1-CD2 4.4Å; V178-Y278 HydrophobicContact CG2-CD2 4.11Å; V178-Y278 HydrophobicContact CG2-CE2 4.06Å; V178-V320 HydrophobicContact CG1-CG2 3.85Å
179	A	98.8	Very high	98.9	Very high	14 Å²	14	21.3 Å²	21.3	12%	0.116	11%	0.114	C	C	.	.	H	α-helix	trans	-69.1	-33.3	-178.9	0	0	0	0	0	112.7	L175 Q176 K181 H182 G183 L219	L175-A179 VanDerWaalsContact O-CB 3.24Å; L175-A179 WeakPolarHBondContact O-CB 3.43Å; L175-A179 PolarHBondContact O-N 2.99Å; Q176-A179 PolarHBondContact O-N 2.84Å; A179-K181 PolarHBondContact O-N 3.44Å; A179-H182 PolarHBondContact O-N 3.19Å; A179-G183 WeakPolarHBondContact CA-O 3.47Å; A179-G183 WeakPolarHBondContact O-CA 3.37Å; A179-G183 PolarHBondContact O-N 3.24Å; A179-L219 HydrophobicContact CB-CB 3.99Å; A179-L219 HydrophobicContact CB-CD2 3.93Å
180	E	98.7	Very high	98.9	Very high	116 Å²	116	21.1 Å²	21.1	54%	0.542	11%	0.113	S	C	.	.	H	α-helix	trans	-56	-38.2	171.4	-80.4	176.1	-164	0	0	112.4	R152 Q176	R152-E180 IonicContact CZ-OE1 2.99Å; R152-E180 IonicContact CZ-OE2 3.95Å; R152-E180 VanDerWaalsContact CZ-OE2 3.31Å; R152-E180 IonicContact NE-OE1 2.73Å; R152-E180 IonicContact NE-OE2 2.68Å; R152-E180 PolarHBondContact NE-OE2 3Å; R152-E180 VanDerWaalsContact NH2-CD 3.29Å; R152-E180 IonicContact NH2-OE1 3.26Å; R152-E180 PolarHBondContact NH2-OE1 2.71Å; R152-E180 IonicContact NH2-OE2 3.87Å; R152-E180 PolarHBondContact NH2-OE2 3.09Å; Q176-E180 WeakPolarHBondContact O-CG 3.4Å; Q176-E180 PolarHBondContact O-N 2.62Å
181	K	98.6	Very high	98.9	Very high	88 Å²	88	21 Å²	21	38%	0.383	11%	0.112	S	C	.	.	H	α-helix	trans	-85.2	-39.6	180	179.8	176.7	168.8	-160.3	0	113.3	L155 A177 V178 A179	L155-K181 HydrophobicContact CB-CD 3.69Å; L155-K181 HydrophobicContact CD2-CD 4.37Å; L155-K181 WeakPolarHBondContact O-CD 3.41Å; L155-K181 WeakPolarHBondContact O-CE 3.48Å; L155-K181 PolarHBondContact O-NZ 3.01Å; A177-K181 PolarHBondContact O-N 3.1Å; V178-K181 PolarHBondContact O-N 2.97Å; A179-K181 PolarHBondContact O-N 3.44Å
182	H	98.7	Very high	98.9	Very high	63 Å²	63	21 Å²	21	29%	0.292	11%	0.112	S	C	.	.	H	α-helix	trans	-109.9	-6	-166.4	-66.9	-71.9	0	0	0	114.2	V178 A179 V185 P276	V178-H182 WeakPolarHBondContact O-CB 3.46Å; V178-H182 PolarHBondContact O-CD2 2.94Å; V178-H182 PolarHBondContact O-N 2.82Å; A179-H182 PolarHBondContact O-N 3.19Å; H182-V185 HydrophobicContact CB-CG1 4.11Å; H182-P276 HydrophobicContact CB-CB 4.15Å; H182-P276 HydrophobicContact CB-CG 4.17Å
183	G	98.7	Very high	98.8	Very high	28 Å²	28	22.1 Å²	22.1	29%	0.289	12%	0.118	S	C	.	.	S	Bend	trans	72.2	-175.9	-163.1	0	0	0	0	0	111.8	A179 V185	A179-G183 WeakPolarHBondContact CA-O 3.47Å; A179-G183 WeakPolarHBondContact O-CA 3.37Å; A179-G183 PolarHBondContact O-N 3.24Å; G183-V185 WeakPolarHBondContact O-CG1 3.48Å; G183-V185 PolarHBondContact O-N 2.86Å
184	P	98.8	Very high	98.8	Very high	70 Å²	70	22.8 Å²	22.8	46%	0.455	12%	0.123	S	C	.	.	S	Bend	trans	-56.1	125.4	178	-18.9	28.3	0	0	0	111.4	G218 L219 D221 R224	P184-G218 VanDerWaalsContact CG-O 3.32Å; P184-G218 WeakPolarHBondContact CG-O 3.49Å; P184-L219 WeakPolarHBondContact CA-O 3.31Å; P184-D221 HydrophobicContact CB-CB 4.42Å; P184-R224 PolarHBondContact O-NH2 3.03Å
185	V	98.9	Very high	98.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	155.9	-174.8	-62.2	0	0	0	0	112	L175 V178 H182 G183 L219 L220 D221 P276 V320	L175-V185 HydrophobicContact CD2-CG2 3.83Å; V178-V185 HydrophobicContact CG1-CG1 3.71Å; V178-V185 HydrophobicContact CG1-CG2 4.33Å; H182-V185 HydrophobicContact CB-CG1 4.11Å; G183-V185 WeakPolarHBondContact O-CG1 3.48Å; G183-V185 PolarHBondContact O-N 2.86Å; V185-L219 PolarHBondContact N-O 2.82Å; V185-L219 VanDerWaalsContact N-O 3.09Å; V185-L220 HydrophobicContact CG2-CD2 4.09Å; V185-L220 WeakPolarHBondContact O-CA 3.32Å; V185-D221 PolarHBondContact O-N 3.36Å; V185-P276 HydrophobicContact CG1-CB 3.97Å; V185-P276 HydrophobicContact CG1-CG 4Å; V185-V320 HydrophobicContact CG1-CG2 4.19Å
186	G	98.9	Very high	98.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	157.1	163.2	0	0	0	0	0	110	R224 P276 V277 Y278	G186-R224 CarbonylContact C-O 3.39Å; G186-R224 WeakPolarHBondContact CA-O 3.4Å; G186-R224 VanDerWaalsContact N-NH2 3.16Å; G186-P276 PolarHBondContact N-O 3.25Å; G186-V277 CarbonylContact O-C 2.97Å; G186-V277 WeakPolarHBondContact O-CA 3.29Å; G186-Y278 PolarHBondContact O-N 3.38Å
187	L	98.9	Very high	98.6	Very high	1 Å²	1	25 Å²	25	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	123.4	-177.7	180	66.8	0	0	0	110.5	H189 F211 L220 R224 V225 V226 Y278	L187-H189 HydrophobicContact CD2-CB 4.02Å; L187-H189 HydrophobicContact CG-CB 3.97Å; L187-F211 HydrophobicContact CD1-CE1 4.22Å; L187-F211 HydrophobicContact CD2-CD1 3.47Å; L187-F211 VanDerWaalsContact CD2-CD1 3.47Å; L187-F211 HydrophobicContact CD2-CE1 3.48Å; L187-F211 VanDerWaalsContact CD2-CE1 3.48Å; L187-F211 HydrophobicContact CD2-CG 4.24Å; L187-F211 HydrophobicContact CD2-CZ 4.26Å; L187-F211 HydrophobicContact CG-CE1 4.49Å; L187-L220 HydrophobicContact CB-CD2 4.08Å; L187-L220 HydrophobicContact CD2-CD1 3.97Å; L187-L220 HydrophobicContact CD2-CD2 4.3Å; L187-R224 PolarHBondContact N-O 3.31Å; L187-V225 HydrophobicContact CB-CG1 4.21Å; L187-V225 HydrophobicContact CB-CG2 4.11Å; L187-V225 HydrophobicContact CD2-CG1 4.16Å; L187-V225 WeakPolarHBondContact O-CA 3.28Å; L187-V226 PolarHBondContact O-N 3.42Å; L187-Y278 WeakPolarHBondContact CA-O 3.46Å; L187-Y278 HydrophobicContact CD1-CD1 4.14Å
188	V	98.9	Very high	98.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	109.9	160.7	179.8	0	0	0	0	106.5	V190 V226 V268 M272 V277 Y278 L279 S280 I310	V188-V190 HydrophobicContact CG1-CG2 4.35Å; V188-V226 HydrophobicContact CB-CG1 4.3Å; V188-V226 HydrophobicContact CG1-CG1 4.23Å; V188-V226 HydrophobicContact CG2-CG1 4.09Å; V188-V268 HydrophobicContact CG2-CG1 3.91Å; V188-M272 HydrophobicContact CG2-CG 4.17Å; V188-M272 HydrophobicContact CG2-SD 4.12Å; V188-V277 HydrophobicContact CG2-CG1 4.1Å; V188-Y278 PolarHBondContact N-O 3.42Å; V188-L279 HydrophobicContact CB-CD1 3.88Å; V188-L279 HydrophobicContact CG1-CD1 3.73Å; V188-L279 WeakPolarHBondContact O-CA 3.13Å; V188-S280 PolarHBondContact O-N 3.02Å; V188-I310 HydrophobicContact CG1-CG2 4.4Å
189	H	98.9	Very high	98.4	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.3	-176.7	177.3	-149.2	0	0	0	109.1	H168 L187 D191 F211 V226 Q227 I228 S280	H168-H189 AromaticContact CE1-CD2 3.81Å; H168-H189 AromaticContact CE1-NE2 3.28Å; H168-H189 PolarHBondContact CE1-NE2 3.4Å; H168-H189 VanDerWaalsContact CE1-NE2 3.28Å; L187-H189 HydrophobicContact CD2-CB 4.02Å; L187-H189 HydrophobicContact CG-CB 3.97Å; H189-D191 IonicContact CE1-OD2 3.99Å; H189-D191 WeakPolarHBondContact NE2-CB 3.3Å; H189-D191 IonicContact NE2-OD2 2.76Å; H189-D191 PolarHBondContact NE2-OD2 2.76Å; H189-F211 AromaticContact CD2-CE2 3.73Å; H189-F211 AromaticContact CD2-CZ 3.85Å; H189-F211 AromaticContact CE1-CD2 3.68Å; H189-F211 AromaticContact CE1-CE2 3.27Å; H189-F211 WeakPolarHBondContact CE1-CE2 3.43Å; H189-F211 AromaticContact CG-CE2 3.97Å; H189-F211 AromaticContact ND1-CD2 3.92Å; H189-F211 AromaticContact ND1-CE2 3.67Å; H189-F211 AromaticContact NE2-CE2 3.25Å; H189-F211 VanDerWaalsContact NE2-CE2 3.25Å; H189-F211 WeakPolarHBondContact NE2-CE2 3.47Å; H189-F211 AromaticContact NE2-CZ 3.83Å; H189-V226 WeakPolarHBondContact CB-O 3.44Å; H189-V226 PolarHBondContact N-O 3.33Å; H189-Q227 HydrophobicContact CB-CG 4.36Å; H189-Q227 PolarHBondContact ND1-NE2 2.95Å; H189-Q227 CarbonylContact O-C 3.42Å; H189-Q227 VanDerWaalsContact O-CA 3.31Å; H189-Q227 WeakPolarHBondContact O-CA 3.08Å; H189-I228 PolarHBondContact O-N 2.96Å; H189-S280 WeakPolarHBondContact CA-O 3.44Å; H189-S280 PolarHBondContact CD2-OG 3.32Å
190	V	98.9	Very high	98	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	110.1	-178.5	-171.2	0	0	0	0	108.2	V188 I228 S280 F281 D282 A285 L302 I310	V188-V190 HydrophobicContact CG1-CG2 4.35Å; V190-I228 WeakPolarHBondContact CA-O 3.33Å; V190-S280 PolarHBondContact N-O 2.75Å; V190-F281 HydrophobicContact CB-CD2 3.8Å; V190-F281 HydrophobicContact CB-CE2 4.03Å; V190-F281 HydrophobicContact CB-CG 4.14Å; V190-F281 HydrophobicContact CG1-CD2 4.03Å; V190-F281 HydrophobicContact CG1-CE1 4.44Å; V190-F281 HydrophobicContact CG1-CE2 3.71Å; V190-F281 HydrophobicContact CG1-CZ 3.92Å; V190-F281 HydrophobicContact CG2-CD2 3.98Å; V190-F281 HydrophobicContact CG2-CE2 4.28Å; V190-D282 PolarHBondContact O-N 2.81Å; V190-A285 HydrophobicContact CG1-CB 3.76Å; V190-L302 HydrophobicContact CG1-CD1 3.98Å; V190-I310 HydrophobicContact CG1-CD1 4.04Å; V190-I310 HydrophobicContact CG2-CD1 4.42Å; V190-I310 HydrophobicContact CG2-CG2 3.66Å
191	D	98.9	Very high	97.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.213	C	C	.	.			trans	-161.4	154.2	-165	-158.3	-45.9	0	0	0	111.1	H168 H189 H193 I228 G229 L230 D282	H168-D191 IonicContact CE1-OD2 3.77Å; H168-D191 PolarHBondContact CE1-OD2 3.07Å; H168-D191 IonicContact ND1-OD2 3.62Å; H168-D191 PolarHBondContact ND1-OD2 3.17Å; H189-D191 IonicContact CE1-OD2 3.99Å; H189-D191 WeakPolarHBondContact NE2-CB 3.3Å; H189-D191 IonicContact NE2-OD2 2.76Å; H189-D191 PolarHBondContact NE2-OD2 2.76Å; D191-H193 WeakPolarHBondContact CB-O 3.37Å; D191-H193 PolarHBondContact OD1-N 3.17Å; D191-H193 IonicContact OD1-ND1 3.85Å; D191-I228 PolarHBondContact N-O 3.41Å; D191-G229 CarbonylContact O-C 3.6Å; D191-G229 WeakPolarHBondContact O-CA 3.44Å; D191-L230 PolarHBondContact O-N 3.24Å; D191-D282 HydrophobicContact CB-CB 4Å; D191-D282 VanDerWaalsContact CG-CB 3.45Å; D191-D282 VanDerWaalsContact OD2-CB 3.26Å; D191-D282 WeakPolarHBondContact OD2-CB 3.15Å
192	A	98.8	Very high	97.6	Very high	0 Å²	0	36 Å²	36	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-74.2	-27.9	166.2	0	0	0	0	0	112.9	L230 R231 D284 E298	A192-L230 WeakPolarHBondContact O-CA 3.29Å; A192-R231 HydrophobicContact CB-CG 4.39Å; A192-R231 PolarHBondContact O-N 2.92Å; A192-D284 VanDerWaalsContact CB-OD1 3.28Å; A192-D284 WeakPolarHBondContact CB-OD1 2.67Å; A192-D284 PolarHBondContact N-OD1 2.74Å; A192-E298 HydrophobicContact CB-CB 4.14Å; A192-E298 HydrophobicContact CB-CG 4.05Å
193	H	98.7	Very high	97.5	Very high	43 Å²	43	37.9 Å²	37.9	20%	0.199	23%	0.233	C	C	.	.	S	Bend	trans	-115.9	156.7	-173.4	-49.8	103.5	0	0	0	112	D191 D195 L230 D284 T296 E298	D191-H193 WeakPolarHBondContact CB-O 3.37Å; D191-H193 PolarHBondContact OD1-N 3.17Å; D191-H193 IonicContact OD1-ND1 3.85Å; H193-D195 WeakPolarHBondContact CB-OD1 3.33Å; H193-L230 VanDerWaalsContact C-CD2 3.44Å; H193-L230 WeakPolarHBondContact O-CD2 3.29Å; H193-D284 IonicContact CE1-OD2 3.57Å; H193-D284 PolarHBondContact CE1-OD2 3.22Å; H193-D284 VanDerWaalsContact CE1-OD2 3.23Å; H193-D284 IonicContact ND1-OD1 3.44Å; H193-D284 IonicContact ND1-OD2 2.73Å; H193-D284 PolarHBondContact ND1-OD2 3.28Å; H193-T296 PolarHBondContact CE1-O 3.23Å; H193-T296 VanDerWaalsContact CE1-O 3.27Å; H193-E298 WeakPolarHBondContact NE2-CG 3.43Å; H193-E298 IonicContact NE2-OE1 3.04Å; H193-E298 PolarHBondContact NE2-OE1 3.11Å
194	A	98.3	Very high	97.5	Very high	13 Å²	13	42.6 Å²	42.6	11%	0.107	24%	0.242	C	C	.	.			trans	-79	-25.5	-177.8	0	0	0	0	0	112.7	T196 Q227 L230 Y240	A194-T196 WeakPolarHBondContact CB-OG1 3.24Å; A194-T196 WeakPolarHBondContact O-CG2 3.44Å; A194-T196 PolarHBondContact O-N 2.93Å; A194-T196 VanDerWaalsContact O-N 3.13Å; A194-Q227 VanDerWaalsContact CA-NE2 3.32Å; A194-Q227 PolarHBondContact O-NE2 3.35Å; A194-L230 HydrophobicContact CB-CD1 4.18Å; A194-Y240 HydrophobicContact CB-CD1 4Å; A194-Y240 HydrophobicContact CB-CE1 4.26Å
195	D	98.3	Very high	97.5	Very high	12 Å²	12	41.2 Å²	41.2	6%	0.064	23%	0.231	C	C	.	.			trans	53.9	33.3	-179.3	-74.5	9.4	0	0	0	115	H168 H193 G208 T209 P210 F211	H168-D195 IonicContact CG-OD2 2.83Å; H168-D195 IonicContact ND1-OD2 3.85Å; H168-D195 PolarHBondContact ND1-OD2 3.13Å; H168-D195 VanDerWaalsContact ND1-OD2 3.09Å; H193-D195 WeakPolarHBondContact CB-OD1 3.33Å; D195-G208 CarbonylContact C-O 3.19Å; D195-G208 WeakPolarHBondContact CA-O 3.48Å; D195-T209 CarbonylContact O-C 3.53Å; D195-P210 HydrophobicContact CB-CG 4.04Å; D195-P210 WeakPolarHBondContact O-CD 3.32Å; D195-F211 HydrophobicContact CB-CD2 3.6Å; D195-F211 HydrophobicContact CB-CE2 3.87Å; D195-F211 PolarHBondContact O-N 2.99Å; D195-F211 VanDerWaalsContact O-N 3.11Å
196	T	98.1	Very high	97.4	Very high	13 Å²	13	41.7 Å²	41.7	8%	0.08	24%	0.236	C	C	.	.			trans	-120.1	20.3	-178.8	54.8	0	0	0	0	113.1	A194 G208 F211 W242 S243 F248	A194-T196 WeakPolarHBondContact CB-OG1 3.24Å; A194-T196 WeakPolarHBondContact O-CG2 3.44Å; A194-T196 PolarHBondContact O-N 2.93Å; A194-T196 VanDerWaalsContact O-N 3.13Å; T196-G208 PolarHBondContact N-O 3.1Å; T196-F211 HydrophobicContact CG2-CB 3.97Å; T196-W242 VanDerWaalsContact CB-CE3 3.44Å; T196-W242 VanDerWaalsContact CB-CZ3 3.49Å; T196-W242 HydrophobicContact CG2-CE3 3.78Å; T196-W242 HydrophobicContact CG2-CH2 4.48Å; T196-W242 HydrophobicContact CG2-CZ3 3.38Å; T196-S243 PolarHBondContact OG1-OG 3.4Å; T196-F248 HydrophobicContact CG2-CE2 4.13Å
197	S	96.6	Very high	97.4	Very high	61 Å²	61	42.6 Å²	42.6	43%	0.427	24%	0.24	S	C	.	.			trans	-62.7	148.7	173.3	-61.2	0	0	0	0	110.3	G208 T209 R212	S197-G208 WeakPolarHBondContact CB-O 3.48Å; S197-G208 PolarHBondContact N-O 3.05Å; S197-G208 PolarHBondContact OG-O 3.27Å; S197-T209 WeakPolarHBondContact O-CB 3.26Å; S197-T209 WeakPolarHBondContact O-CG2 3.22Å; S197-R212 WeakPolarHBondContact O-CB 3.41Å
198	D	96.6	Very high	97.3	Very high	69 Å²	69	43.1 Å²	43.1	37%	0.369	25%	0.245	S	C	.	.	S	Bend	trans	-83.9	-73.2	177.6	-167.3	9.8	0	0	0	110.9	R212 R213	D198-R212 IonicContact OD2-NH2 2.75Å; D198-R213 VanDerWaalsContact C-NH2 3.35Å; D198-R213 PolarHBondContact O-NH2 3.34Å; D198-R213 IonicContact OD1-CZ 3.62Å; D198-R213 IonicContact OD1-NH1 3.25Å; D198-R213 PolarHBondContact OD1-NH1 3.11Å; D198-R213 IonicContact OD1-NH2 3.4Å; D198-R213 PolarHBondContact OD1-NH2 3.38Å
199	V	95.9	Very high	97.3	Very high	78 Å²	78	43.2 Å²	43.2	47%	0.473	25%	0.246	S	C	.	.			trans	-122.8	129.3	-175.9	-178.3	0	0	0	0	109.9	G202 R204	V199-G202 VanDerWaalsContact CG1-CA 3.47Å; V199-R204 HydrophobicContact CG2-CG 4.06Å
200	V	91.5	Very high	97.3	Very high	62 Å²	62	43.2 Å²	43.2	38%	0.376	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-116.9	117.5	175.4	-177.7	0	0	0	0	108.2	G202 E203 T209	V200-G202 PolarHBondContact O-N 2.81Å; V200-E203 PolarHBondContact N-O 2.91Å; V200-E203 PolarHBondContact O-N 2.84Å; V200-T209 HydrophobicContact CG2-CG2 4.1Å
201	L	93.2	Very high	97.3	Very high	183 Å²	183	43.3 Å²	43.3	96%	0.958	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	29.4	-179	-57.8	176.9	0	0	0	114.7
202	G	95.6	Very high	97.3	Very high	60 Å²	60	45.7 Å²	45.7	62%	0.619	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	-6.8	-178.6	0	0	0	0	0	115.1	V199 V200	V199-G202 VanDerWaalsContact CG1-CA 3.47Å; V200-G202 PolarHBondContact O-N 2.81Å
203	E	96.9	Very high	97.3	Very high	102 Å²	102	46 Å²	46	48%	0.477	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-101.5	142.5	176.6	-69.2	-64.1	151.3	0	0	111.9	K141 V200	K141-E203 IonicContact NZ-OE1 3.96Å; K141-E203 IonicContact NZ-OE2 2.68Å; K141-E203 PolarHBondContact NZ-OE2 3.47Å; V200-E203 PolarHBondContact N-O 2.91Å; V200-E203 PolarHBondContact O-N 2.84Å
204	R	97.6	Very high	97.3	Very high	127 Å²	127	44 Å²	44	48%	0.479	25%	0.247	S	C	.	.	S	Bend	trans	-93.8	-14.9	-179.8	-73.2	-173.9	74.9	-178.4	0.7	113.5	V199 T209 R213 E216	V199-R204 HydrophobicContact CG2-CG 4.06Å; R204-T209 WeakPolarHBondContact O-CB 3.37Å; R204-T209 PolarHBondContact O-OG1 3.4Å; R204-R213 PolarHBondContact O-NE 2.81Å; R204-E216 IonicContact CZ-OE2 3.99Å; R204-E216 IonicContact NH2-OE1 2.74Å; R204-E216 IonicContact NH2-OE2 3.76Å; R204-E216 PolarHBondContact NH2-OE2 3.19Å
205	I	98.1	Very high	97.3	Very high	40 Å²	40	44.3 Å²	44.3	21%	0.205	25%	0.248	C	C	.	.			trans	-118.1	115.7	-174.7	-59.8	177.3	0	0	0	107.7	L140 K141 T169 Y172	L140-I205 HydrophobicContact CD2-CG2 4Å; L140-I205 HydrophobicContact CG-CG2 4.17Å; K141-I205 HydrophobicContact CG-CD1 4.37Å; T169-I205 HydrophobicContact CG2-CG2 3.59Å; Y172-I205 HydrophobicContact CE1-CD1 4.37Å; Y172-I205 HydrophobicContact CE1-CG1 4.49Å
206	G	97.9	Very high	97.3	Very high	11 Å²	11	47.4 Å²	47.4	11%	0.113	26%	0.262	C	S	.	.	S	Bend	trans	-175.2	179	174.8	0	0	0	0	0	109.9	G208 T209	G206-G208 VanDerWaalsContact C-N 3.3Å; G206-G208 PolarHBondContact O-N 2.89Å; G206-T209 PolarHBondContact N-OG1 3.02Å; G206-T209 VanDerWaalsContact N-OG1 3.15Å; G206-T209 PolarHBondContact O-N 3.04Å; G206-T209 VanDerWaalsContact O-N 3.09Å; G206-T209 PolarHBondContact O-OG1 2.83Å; G206-T209 VanDerWaalsContact O-OG1 3.13Å
207	H	98.4	Very high	97.4	Very high	19 Å²	19	51.5 Å²	51.5	9%	0.088	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-32	-168.2	74	142.9	0	0	0	113.6	G89 S91 D167 H168 T169 T209 P210 E326	G89-H207 PolarHBondContact O-CD2 2.99Å; G89-H207 VanDerWaalsContact O-CD2 3.3Å; G89-H207 PolarHBondContact O-N 2.7Å; S91-H207 PolarHBondContact N-NE2 3.27Å; S91-H207 PolarHBondContact OG-NE2 3.03Å; D167-H207 HydrophobicContact CB-CB 4.17Å; H168-H207 HydrophobicContact CB-CB 4.41Å; T169-H207 WeakPolarHBondContact OG1-CA 3.35Å; T169-H207 PolarHBondContact OG1-N 3.05Å; H207-T209 PolarHBondContact O-N 3.42Å; H207-P210 WeakPolarHBondContact O-CD 3.4Å; H207-E326 IonicContact ND1-OE1 3.8Å
208	G	97.9	Very high	97.5	Very high	11 Å²	11	50.5 Å²	50.5	11%	0.113	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	7.2	176.6	0	0	0	0	0	116.1	D195 T196 S197 G206	D195-G208 CarbonylContact C-O 3.19Å; D195-G208 WeakPolarHBondContact CA-O 3.48Å; T196-G208 PolarHBondContact N-O 3.1Å; S197-G208 WeakPolarHBondContact CB-O 3.48Å; S197-G208 PolarHBondContact N-O 3.05Å; S197-G208 PolarHBondContact OG-O 3.27Å; G206-G208 VanDerWaalsContact C-N 3.3Å; G206-G208 PolarHBondContact O-N 2.89Å
209	T	98.5	Very high	97.6	Very high	2 Å²	2	48 Å²	48	1%	0.012	27%	0.266	C	S	.	.	S	Bend	trans	-118.2	-2.3	-179	74.9	0	0	0	0	117.7	D195 S197 V200 R204 G206 H207 F211 R212 R213	D195-T209 CarbonylContact O-C 3.53Å; S197-T209 WeakPolarHBondContact O-CB 3.26Å; S197-T209 WeakPolarHBondContact O-CG2 3.22Å; V200-T209 HydrophobicContact CG2-CG2 4.1Å; R204-T209 WeakPolarHBondContact O-CB 3.37Å; R204-T209 PolarHBondContact O-OG1 3.4Å; G206-T209 PolarHBondContact N-OG1 3.02Å; G206-T209 VanDerWaalsContact N-OG1 3.15Å; G206-T209 PolarHBondContact O-N 3.04Å; G206-T209 VanDerWaalsContact O-N 3.09Å; G206-T209 PolarHBondContact O-OG1 2.83Å; G206-T209 VanDerWaalsContact O-OG1 3.13Å; H207-T209 PolarHBondContact O-N 3.42Å; T209-F211 PolarHBondContact O-N 2.67Å; T209-R212 PolarHBondContact O-N 3.33Å; T209-R213 WeakPolarHBondContact O-CG 3.49Å; T209-R213 PolarHBondContact O-N 3.03Å
210	P	98.8	Very high	97.7	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.013	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-44.4	-165.5	26	-35.5	0	0	0	112.7	A171 D195 H207 R212 R213 C214	A171-P210 HydrophobicContact CB-CB 4.4Å; D195-P210 HydrophobicContact CB-CG 4.04Å; D195-P210 WeakPolarHBondContact O-CD 3.32Å; H207-P210 WeakPolarHBondContact O-CD 3.4Å; P210-R212 PolarHBondContact O-N 3.08Å; P210-R213 WeakPolarHBondContact O-CB 3.49Å; P210-R213 PolarHBondContact O-N 3.29Å; P210-C214 PolarHBondContact O-N 3.22Å; P210-C214 PolarHBondContact O-SG 3.03Å
211	F	98.8	Very high	98.1	Very high	1 Å²	1	44.3 Å²	44.3	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-76.5	-24.9	-174.3	-57.4	-64	0	0	0	113	H168 A171 L175 L187 H189 D195 T196 T209 C214 V215 L220	H168-F211 AromaticContact CE1-CE2 3.9Å; H168-F211 AromaticContact NE2-CE2 3.84Å; H168-F211 AromaticContact NE2-CZ 3.55Å; A171-F211 HydrophobicContact CB-CE1 4.27Å; A171-F211 HydrophobicContact CB-CZ 4.21Å; L175-F211 HydrophobicContact CD1-CD1 4.22Å; L175-F211 HydrophobicContact CD1-CE1 3.96Å; L187-F211 HydrophobicContact CD1-CE1 4.22Å; L187-F211 HydrophobicContact CD2-CD1 3.47Å; L187-F211 VanDerWaalsContact CD2-CD1 3.47Å; L187-F211 HydrophobicContact CD2-CE1 3.48Å; L187-F211 VanDerWaalsContact CD2-CE1 3.48Å; L187-F211 HydrophobicContact CD2-CG 4.24Å; L187-F211 HydrophobicContact CD2-CZ 4.26Å; L187-F211 HydrophobicContact CG-CE1 4.49Å; H189-F211 AromaticContact CD2-CE2 3.73Å; H189-F211 AromaticContact CD2-CZ 3.85Å; H189-F211 AromaticContact CE1-CD2 3.68Å; H189-F211 AromaticContact CE1-CE2 3.27Å; H189-F211 WeakPolarHBondContact CE1-CE2 3.43Å; H189-F211 AromaticContact CG-CE2 3.97Å; H189-F211 AromaticContact ND1-CD2 3.92Å; H189-F211 AromaticContact ND1-CE2 3.67Å; H189-F211 AromaticContact NE2-CE2 3.25Å; H189-F211 VanDerWaalsContact NE2-CE2 3.25Å; H189-F211 WeakPolarHBondContact NE2-CE2 3.47Å; H189-F211 AromaticContact NE2-CZ 3.83Å; D195-F211 HydrophobicContact CB-CD2 3.6Å; D195-F211 HydrophobicContact CB-CE2 3.87Å; D195-F211 PolarHBondContact O-N 2.99Å; D195-F211 VanDerWaalsContact O-N 3.11Å; T196-F211 HydrophobicContact CG2-CB 3.97Å; T209-F211 PolarHBondContact O-N 2.67Å; F211-C214 PolarHBondContact O-N 3.23Å; F211-V215 WeakPolarHBondContact O-CG2 3.47Å; F211-V215 PolarHBondContact O-N 2.78Å; F211-L220 HydrophobicContact CD1-CD1 4.3Å
212	R	98.7	Very high	98.3	Very high	50 Å²	50	36.9 Å²	36.9	19%	0.189	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-46	168.3	-175.9	66.5	159.5	129.9	2.1	110.8	S197 D198 T209 P210 C214 V215 E216 W242	S197-R212 WeakPolarHBondContact O-CB 3.41Å; D198-R212 IonicContact OD2-NH2 2.75Å; T209-R212 PolarHBondContact O-N 3.33Å; P210-R212 PolarHBondContact O-N 3.08Å; R212-C214 VanDerWaalsContact C-N 3.34Å; R212-V215 PolarHBondContact O-N 3.42Å; R212-E216 IonicContact CZ-OE1 3.85Å; R212-E216 IonicContact NE-OE1 3.3Å; R212-E216 IonicContact NH1-OE1 2.81Å; R212-E216 WeakPolarHBondContact O-CG 3.23Å; R212-E216 PolarHBondContact O-N 2.95Å; R212-E216 VanDerWaalsContact O-N 3.12Å; R212-W242 VanDerWaalsContact CD-CE2 3.44Å; R212-W242 HydrophobicContact CG-CH2 4.5Å; R212-W242 VanDerWaalsContact CZ-CE2 3.4Å
213	R	98.8	Very high	98.5	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-41.2	176.1	-56.9	-64.7	149.2	-111.3	8	111.5	Y172 D198 R204 T209 P210 V215 E216 E217	Y172-R213 HydrophobicContact CD1-CB 4.33Å; Y172-R213 HydrophobicContact CD2-CB 3.6Å; Y172-R213 HydrophobicContact CE1-CB 4.19Å; Y172-R213 HydrophobicContact CE1-CG 4.41Å; Y172-R213 HydrophobicContact CE2-CB 3.45Å; Y172-R213 VanDerWaalsContact CE2-CB 3.45Å; Y172-R213 HydrophobicContact CE2-CG 4.48Å; Y172-R213 HydrophobicContact CG-CB 4.04Å; D198-R213 VanDerWaalsContact C-NH2 3.35Å; D198-R213 PolarHBondContact O-NH2 3.34Å; D198-R213 IonicContact OD1-CZ 3.62Å; D198-R213 IonicContact OD1-NH1 3.25Å; D198-R213 PolarHBondContact OD1-NH1 3.11Å; D198-R213 IonicContact OD1-NH2 3.4Å; D198-R213 PolarHBondContact OD1-NH2 3.38Å; R204-R213 PolarHBondContact O-NE 2.81Å; T209-R213 WeakPolarHBondContact O-CG 3.49Å; T209-R213 PolarHBondContact O-N 3.03Å; P210-R213 WeakPolarHBondContact O-CB 3.49Å; P210-R213 PolarHBondContact O-N 3.29Å; R213-V215 VanDerWaalsContact C-N 3.31Å; R213-V215 PolarHBondContact O-N 3.44Å; R213-E216 IonicContact CZ-OE2 3.71Å; R213-E216 IonicContact NH1-OE1 2.96Å; R213-E216 PolarHBondContact NH1-OE1 3.35Å; R213-E216 IonicContact NH1-OE2 3.99Å; R213-E216 PolarHBondContact NH1-OE2 3.13Å; R213-E216 PolarHBondContact O-N 3.42Å; R213-E217 PolarHBondContact O-N 3.42Å
214	C	98.9	Very high	98.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-38.3	177.6	-63.1	0	0	0	0	113	L175 P210 F211 R212 G218 L219 L220	L175-C214 VanDerWaalsContact CD1-SG 3.55Å; P210-C214 PolarHBondContact O-N 3.22Å; P210-C214 PolarHBondContact O-SG 3.03Å; F211-C214 PolarHBondContact O-N 3.23Å; R212-C214 VanDerWaalsContact C-N 3.34Å; C214-G218 PolarHBondContact O-N 3.32Å; C214-L219 HydrophobicContact CB-CB 4.11Å; C214-L219 HydrophobicContact CB-CD1 4.15Å; C214-L219 HydrophobicContact CB-CG 4.45Å; C214-L219 WeakPolarHBondContact O-CB 3.44Å; C214-L219 PolarHBondContact O-N 3.15Å; C214-L220 HydrophobicContact CB-CD1 3.78Å; C214-L220 HydrophobicContact CB-CG 3.82Å
215	V	98.8	Very high	98.6	Very high	21 Å²	21	30.8 Å²	30.8	13%	0.127	16%	0.164	C	C	.	.	H	α-helix	trans	-67.7	-46	174.3	170.9	0	0	0	0	111.8	F211 R212 R213 E217 G218 L220 W242 Q246 F248	F211-V215 WeakPolarHBondContact O-CG2 3.47Å; F211-V215 PolarHBondContact O-N 2.78Å; R212-V215 PolarHBondContact O-N 3.42Å; R213-V215 VanDerWaalsContact C-N 3.31Å; R213-V215 PolarHBondContact O-N 3.44Å; V215-E217 PolarHBondContact O-N 2.75Å; V215-G218 PolarHBondContact O-N 2.7Å; V215-L220 HydrophobicContact CG2-CD1 4.4Å; V215-W242 HydrophobicContact CB-CH2 3.93Å; V215-W242 HydrophobicContact CB-CZ2 4.47Å; V215-W242 HydrophobicContact CG1-CH2 4.13Å; V215-W242 HydrophobicContact CG1-CZ2 4.26Å; V215-W242 HydrophobicContact CG2-CH2 3.88Å; V215-Q246 HydrophobicContact CG1-CG 4.22Å; V215-F248 HydrophobicContact CG2-CE1 3.91Å; V215-F248 HydrophobicContact CG2-CE2 4.45Å; V215-F248 HydrophobicContact CG2-CZ 3.4Å
216	E	98.7	Very high	98.6	Very high	77 Å²	77	28.9 Å²	28.9	36%	0.36	16%	0.155	S	C	.	.	H	α-helix	trans	-60.8	-33.2	-179.3	-73	171.2	178.4	0	0	113.1	R204 R212 R213	R204-E216 IonicContact CZ-OE2 3.99Å; R204-E216 IonicContact NH2-OE1 2.74Å; R204-E216 IonicContact NH2-OE2 3.76Å; R204-E216 PolarHBondContact NH2-OE2 3.19Å; R212-E216 IonicContact CZ-OE1 3.85Å; R212-E216 IonicContact NE-OE1 3.3Å; R212-E216 IonicContact NH1-OE1 2.81Å; R212-E216 WeakPolarHBondContact O-CG 3.23Å; R212-E216 PolarHBondContact O-N 2.95Å; R212-E216 VanDerWaalsContact O-N 3.12Å; R213-E216 IonicContact CZ-OE2 3.71Å; R213-E216 IonicContact NH1-OE1 2.96Å; R213-E216 PolarHBondContact NH1-OE1 3.35Å; R213-E216 IonicContact NH1-OE2 3.99Å; R213-E216 PolarHBondContact NH1-OE2 3.13Å; R213-E216 PolarHBondContact O-N 3.42Å
217	E	98.7	Very high	98.7	Very high	99 Å²	99	28.4 Å²	28.4	46%	0.463	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	2	176.7	-64.8	-166.2	169.3	0	0	113.6	Y172 Q176 R213 V215 L219	Y172-E217 PolarHBondContact OH-OE1 3.19Å; Y172-E217 PolarHBondContact OH-OE2 2.89Å; Q176-E217 PolarHBondContact NE2-OE2 3.46Å; R213-E217 PolarHBondContact O-N 3.42Å; V215-E217 PolarHBondContact O-N 2.75Å; E217-L219 VanDerWaalsContact C-N 3.32Å; E217-L219 HydrophobicContact CB-CD1 4.26Å; E217-L219 HydrophobicContact CB-CD2 3.93Å; E217-L219 HydrophobicContact CB-CG 3.83Å; E217-L219 PolarHBondContact O-N 3.03Å
218	G	98.7	Very high	98.7	Very high	40 Å²	40	27.5 Å²	27.5	41%	0.412	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	28.8	179.1	0	0	0	0	0	114	P184 C214 V215 L220	P184-G218 VanDerWaalsContact CG-O 3.32Å; P184-G218 WeakPolarHBondContact CG-O 3.49Å; C214-G218 PolarHBondContact O-N 3.32Å; V215-G218 PolarHBondContact O-N 2.7Å; G218-L220 VanDerWaalsContact C-N 3.33Å
219	L	98.9	Very high	98.8	Very high	16 Å²	16	27 Å²	27	8%	0.084	14%	0.14	C	C	.	.			trans	-79.7	-19.2	-179.2	-45.8	-179.1	0	0	0	112.5	Y172 L175 Q176 A179 P184 V185 C214 E217	Y172-L219 HydrophobicContact CD2-CD1 4.27Å; Y172-L219 HydrophobicContact CE2-CD1 4.2Å; L175-L219 HydrophobicContact CB-CD1 4.36Å; Q176-L219 HydrophobicContact CB-CD1 4.33Å; Q176-L219 HydrophobicContact CG-CD1 3.56Å; Q176-L219 HydrophobicContact CG-CD2 4.49Å; A179-L219 HydrophobicContact CB-CB 3.99Å; A179-L219 HydrophobicContact CB-CD2 3.93Å; P184-L219 WeakPolarHBondContact CA-O 3.31Å; V185-L219 PolarHBondContact N-O 2.82Å; V185-L219 VanDerWaalsContact N-O 3.09Å; C214-L219 HydrophobicContact CB-CB 4.11Å; C214-L219 HydrophobicContact CB-CD1 4.15Å; C214-L219 HydrophobicContact CB-CG 4.45Å; C214-L219 WeakPolarHBondContact O-CB 3.44Å; C214-L219 PolarHBondContact O-N 3.15Å; E217-L219 VanDerWaalsContact C-N 3.32Å; E217-L219 HydrophobicContact CB-CD1 4.26Å; E217-L219 HydrophobicContact CB-CD2 3.93Å; E217-L219 HydrophobicContact CB-CG 3.83Å; E217-L219 PolarHBondContact O-N 3.03Å
220	L	98.9	Very high	98.8	Very high	7 Å²	7	26.9 Å²	26.9	4%	0.037	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.9	-179	-60.5	177.7	0	0	0	111.3	L175 V185 L187 F211 C214 V215 G218 C222 V225 F248	L175-L220 HydrophobicContact CD1-CD2 4.25Å; L175-L220 HydrophobicContact CD2-CD2 4.33Å; V185-L220 HydrophobicContact CG2-CD2 4.09Å; V185-L220 WeakPolarHBondContact O-CA 3.32Å; L187-L220 HydrophobicContact CB-CD2 4.08Å; L187-L220 HydrophobicContact CD2-CD1 3.97Å; L187-L220 HydrophobicContact CD2-CD2 4.3Å; F211-L220 HydrophobicContact CD1-CD1 4.3Å; C214-L220 HydrophobicContact CB-CD1 3.78Å; C214-L220 HydrophobicContact CB-CG 3.82Å; V215-L220 HydrophobicContact CG2-CD1 4.4Å; G218-L220 VanDerWaalsContact C-N 3.33Å; L220-C222 PolarHBondContact O-N 3.36Å; L220-V225 HydrophobicContact CB-CG2 4.21Å; L220-V225 HydrophobicContact CD1-CG2 4.33Å; L220-F248 HydrophobicContact CD1-CZ 4.39Å
221	D	98.7	Very high	98.7	Very high	55 Å²	55	27.5 Å²	27.5	29%	0.294	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	100.4	161.5	-179.9	-10.2	0	0	0	108.5	P184 V185 Q223 R224 V225	P184-D221 HydrophobicContact CB-CB 4.42Å; V185-D221 PolarHBondContact O-N 3.36Å; D221-Q223 PolarHBondContact O-N 3.07Å; D221-Q223 VanDerWaalsContact O-N 3.07Å; D221-Q223 PolarHBondContact OD1-N 3.13Å; D221-R224 HydrophobicContact CB-CB 4.29Å; D221-R224 CarbonylContact O-C 3.56Å; D221-R224 WeakPolarHBondContact O-CA 3.46Å; D221-R224 PolarHBondContact O-N 3.21Å; D221-R224 WeakPolarHBondContact OD2-CD 3.46Å; D221-R224 IonicContact OD2-CZ 2.74Å; D221-R224 IonicContact OD2-NE 3.62Å; D221-R224 PolarHBondContact OD2-NE 3.27Å; D221-R224 IonicContact OD2-NH2 3.61Å; D221-V225 WeakPolarHBondContact O-CG2 3.49Å
222	C	98.6	Very high	98.6	Very high	27 Å²	27	29.6 Å²	29.6	18%	0.182	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-20.4	-170	-62.3	0	0	0	0	114.1	L220 R224 Q246 G247 F248	L220-C222 PolarHBondContact O-N 3.36Å; C222-R224 VanDerWaalsContact C-N 3.31Å; C222-Q246 WeakPolarHBondContact CB-O 3.31Å; C222-G247 CarbonylContact O-C 3.52Å; C222-F248 HydrophobicContact CB-CD1 4.35Å; C222-F248 HydrophobicContact CB-CE1 4Å
223	Q	98.4	Very high	98.3	Very high	128 Å²	128	32.7 Å²	32.7	60%	0.598	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	-16	174.5	-60.9	-59.3	-59.2	0	0	112.6	D221 Q271	D221-Q223 PolarHBondContact O-N 3.07Å; D221-Q223 VanDerWaalsContact O-N 3.07Å; D221-Q223 PolarHBondContact OD1-N 3.13Å; Q223-Q271 PolarHBondContact O-NE2 3.33Å
224	R	98.8	Very high	97.9	Very high	33 Å²	33	34.6 Å²	34.6	13%	0.125	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	39.4	178.1	-57.3	-167.3	-62.9	124.5	8.2	111.3	P184 G186 L187 D221 C222 M272 P276	P184-R224 PolarHBondContact O-NH2 3.03Å; G186-R224 CarbonylContact C-O 3.39Å; G186-R224 WeakPolarHBondContact CA-O 3.4Å; G186-R224 VanDerWaalsContact N-NH2 3.16Å; L187-R224 PolarHBondContact N-O 3.31Å; D221-R224 HydrophobicContact CB-CB 4.29Å; D221-R224 CarbonylContact O-C 3.56Å; D221-R224 WeakPolarHBondContact O-CA 3.46Å; D221-R224 PolarHBondContact O-N 3.21Å; D221-R224 WeakPolarHBondContact OD2-CD 3.46Å; D221-R224 IonicContact OD2-CZ 2.74Å; D221-R224 IonicContact OD2-NE 3.62Å; D221-R224 PolarHBondContact OD2-NE 3.27Å; D221-R224 IonicContact OD2-NH2 3.61Å; C222-R224 VanDerWaalsContact C-N 3.31Å; R224-M272 VanDerWaalsContact C-CE 3.45Å; R224-M272 HydrophobicContact CB-CE 4.22Å; R224-M272 HydrophobicContact CB-SD 4.31Å; R224-M272 WeakPolarHBondContact CD-O 3.43Å; R224-M272 PolarHBondContact NH1-O 3.21Å; R224-M272 WeakPolarHBondContact O-CE 3.29Å; R224-M272 VanDerWaalsContact O-SD 3.35Å; R224-P276 PolarHBondContact NH1-O 3.01Å; R224-P276 PolarHBondContact NH2-O 3.28Å
225	V	98.9	Very high	97.3	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.8	171.8	180	0	0	0	0	109.9	L187 L220 D221 F248 R249 Q271	L187-V225 HydrophobicContact CB-CG1 4.21Å; L187-V225 HydrophobicContact CB-CG2 4.11Å; L187-V225 HydrophobicContact CD2-CG1 4.16Å; L187-V225 WeakPolarHBondContact O-CA 3.28Å; L220-V225 HydrophobicContact CB-CG2 4.21Å; L220-V225 HydrophobicContact CD1-CG2 4.33Å; D221-V225 WeakPolarHBondContact O-CG2 3.49Å; V225-F248 HydrophobicContact CB-CB 4.32Å; V225-F248 HydrophobicContact CB-CD1 3.48Å; V225-F248 VanDerWaalsContact CB-CD1 3.48Å; V225-F248 HydrophobicContact CB-CD2 4.46Å; V225-F248 HydrophobicContact CB-CE1 3.77Å; V225-F248 HydrophobicContact CB-CG 3.85Å; V225-F248 HydrophobicContact CB-CZ 4.35Å; V225-F248 HydrophobicContact CG1-CB 4.16Å; V225-F248 HydrophobicContact CG1-CD1 3.71Å; V225-F248 HydrophobicContact CG1-CD2 3.77Å; V225-F248 HydrophobicContact CG1-CE1 3.92Å; V225-F248 HydrophobicContact CG1-CE2 3.97Å; V225-F248 HydrophobicContact CG1-CG 3.62Å; V225-F248 HydrophobicContact CG1-CZ 4.01Å; V225-F248 HydrophobicContact CG2-CD1 3.87Å; V225-F248 HydrophobicContact CG2-CE1 3.63Å; V225-F248 HydrophobicContact CG2-CZ 4.2Å; V225-R249 PolarHBondContact O-N 2.71Å; V225-Q271 PolarHBondContact O-NE2 3.03Å; V225-Q271 VanDerWaalsContact O-NE2 3.1Å
226	V	98.9	Very high	96.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.3	168.4	64.3	0	0	0	0	110.3	L187 V188 H189 I228 R249 V251 V268 M272	L187-V226 PolarHBondContact O-N 3.42Å; V188-V226 HydrophobicContact CB-CG1 4.3Å; V188-V226 HydrophobicContact CG1-CG1 4.23Å; V188-V226 HydrophobicContact CG2-CG1 4.09Å; H189-V226 WeakPolarHBondContact CB-O 3.44Å; H189-V226 PolarHBondContact N-O 3.33Å; V226-I228 HydrophobicContact CG1-CD1 4.38Å; V226-I228 HydrophobicContact CG2-CD1 4.16Å; V226-I228 HydrophobicContact CG2-CG1 3.74Å; V226-R249 CarbonylContact C-O 3.33Å; V226-R249 VanDerWaalsContact CA-O 3.28Å; V226-R249 WeakPolarHBondContact CA-O 3.27Å; V226-R249 HydrophobicContact CB-CB 4.19Å; V226-R249 HydrophobicContact CG2-CB 4Å; V226-R249 HydrophobicContact CG2-CG 3.99Å; V226-V251 HydrophobicContact CG2-CG2 4.11Å; V226-V268 HydrophobicContact CG1-CG1 3.81Å; V226-V268 HydrophobicContact CG1-CG2 4.16Å; V226-V268 HydrophobicContact CG2-CG2 4.21Å; V226-M272 HydrophobicContact CG1-CE 4.32Å
227	Q	98.9	Very high	96.4	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.5	172.9	-55	-169.6	-98.6	0	0	108.8	H189 A194 L230 S243 R249 V251	H189-Q227 HydrophobicContact CB-CG 4.36Å; H189-Q227 PolarHBondContact ND1-NE2 2.95Å; H189-Q227 CarbonylContact O-C 3.42Å; H189-Q227 VanDerWaalsContact O-CA 3.31Å; H189-Q227 WeakPolarHBondContact O-CA 3.08Å; A194-Q227 VanDerWaalsContact CA-NE2 3.32Å; A194-Q227 PolarHBondContact O-NE2 3.35Å; Q227-L230 HydrophobicContact CB-CD1 4.04Å; Q227-L230 HydrophobicContact CB-CD2 4.18Å; Q227-L230 HydrophobicContact CB-CG 4.14Å; Q227-S243 PolarHBondContact OE1-OG 2.84Å; Q227-R249 PolarHBondContact N-O 2.93Å; Q227-V251 PolarHBondContact O-N 3.15Å
228	I	98.9	Very high	96	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.3	-172.6	-49.8	175.3	0	0	0	110	H189 V190 D191 V226 V251 L264 M265 V268 I310	H189-I228 PolarHBondContact O-N 2.96Å; V190-I228 WeakPolarHBondContact CA-O 3.33Å; D191-I228 PolarHBondContact N-O 3.41Å; V226-I228 HydrophobicContact CG1-CD1 4.38Å; V226-I228 HydrophobicContact CG2-CD1 4.16Å; V226-I228 HydrophobicContact CG2-CG1 3.74Å; I228-V251 HydrophobicContact CG1-CB 4.36Å; I228-V251 HydrophobicContact CG1-CG2 4.49Å; I228-V251 HydrophobicContact CG2-CB 4.39Å; I228-V251 HydrophobicContact CG2-CG1 4.34Å; I228-L264 HydrophobicContact CD1-CD2 4.39Å; I228-L264 HydrophobicContact CG2-CD2 4.29Å; I228-M265 HydrophobicContact CD1-SD 4.26Å; I228-V268 HydrophobicContact CD1-CG2 4.43Å; I228-I310 HydrophobicContact CD1-CG2 4.46Å; I228-I310 HydrophobicContact CG2-CD1 3.95Å
229	G	98.7	Very high	95.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	107.4	4.6	175.9	0	0	0	0	0	114.9	D191 R231 V251	D191-G229 CarbonylContact O-C 3.6Å; D191-G229 WeakPolarHBondContact O-CA 3.44Å; G229-R231 PolarHBondContact O-N 3.16Å; G229-R231 PolarHBondContact O-NH1 3.31Å; G229-R231 VanDerWaalsContact O-NH1 3.11Å; G229-V251 PolarHBondContact N-O 2.98Å
230	L	98.6	Very high	95.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	130.6	-176.7	-57	-163.6	0	0	0	111.3	D191 A192 H193 A194 Q227 Y240 V250 Q252 V253	D191-L230 PolarHBondContact O-N 3.24Å; A192-L230 WeakPolarHBondContact O-CA 3.29Å; H193-L230 VanDerWaalsContact C-CD2 3.44Å; H193-L230 WeakPolarHBondContact O-CD2 3.29Å; A194-L230 HydrophobicContact CB-CD1 4.18Å; Q227-L230 HydrophobicContact CB-CD1 4.04Å; Q227-L230 HydrophobicContact CB-CD2 4.18Å; Q227-L230 HydrophobicContact CB-CG 4.14Å; L230-Y240 HydrophobicContact CB-CE1 3.9Å; L230-Y240 HydrophobicContact CB-CE2 4.15Å; L230-Y240 HydrophobicContact CD1-CD1 3.54Å; L230-Y240 HydrophobicContact CD1-CD2 4.48Å; L230-Y240 HydrophobicContact CD1-CE1 3.61Å; L230-Y240 HydrophobicContact CD1-CG 4Å; L230-Y240 HydrophobicContact CG-CE1 4.32Å; L230-V250 HydrophobicContact CD1-CG1 3.65Å; L230-V250 HydrophobicContact CD1-CG2 4.38Å; L230-V250 HydrophobicContact CG-CG1 4.46Å; L230-Q252 HydrophobicContact CB-CG 4.4Å; L230-Q252 WeakPolarHBondContact O-CA 3.18Å; L230-V253 PolarHBondContact O-N 3.2Å
231	R	98.1	Very high	95.4	Very high	14 Å²	14	55.6 Å²	55.6	5%	0.053	33%	0.326	C	S	.	.			trans	-161.3	-171	-179.3	67.1	-170.3	-176.4	-76.4	-0.6	111.8	A192 G229 Y240 V253 D284 A285 L286 E298 I299	A192-R231 HydrophobicContact CB-CG 4.39Å; A192-R231 PolarHBondContact O-N 2.92Å; G229-R231 PolarHBondContact O-N 3.16Å; G229-R231 PolarHBondContact O-NH1 3.31Å; G229-R231 VanDerWaalsContact O-NH1 3.11Å; R231-Y240 PolarHBondContact N-OH 3.46Å; R231-Y240 PolarHBondContact O-OH 2.84Å; R231-V253 HydrophobicContact CB-CB 4.16Å; R231-V253 HydrophobicContact CB-CG1 3.62Å; R231-V253 HydrophobicContact CG-CG1 4.34Å; R231-D284 PolarHBondContact NH2-O 2.95Å; R231-A285 PolarHBondContact NH1-O 3.21Å; R231-L286 PolarHBondContact NH2-O 3.38Å; R231-E298 HydrophobicContact CG-CB 3.92Å; R231-E298 PolarHBondContact NE-O 3.4Å; R231-E298 PolarHBondContact NH2-O 2.93Å; R231-I299 WeakPolarHBondContact CD-O 3.32Å; R231-I299 PolarHBondContact NE-O 2.72Å; R231-I299 VanDerWaalsContact NE-O 3.12Å
232	G	95.3	Very high	95.3	Very high	46 Å²	46	55.8 Å²	55.8	47%	0.474	32%	0.322	S	S	.	.	S	Bend	trans	96.2	-178.2	175.2	0	0	0	0	0	113.3
233	S	94.2	Very high	95.3	Very high	115 Å²	115	54.5 Å²	54.5	80%	0.804	31%	0.314	S	S	*	.			trans	-84.4	135.2	178.4	59.2	0	0	0	0	111.7
234	G	90	Very high	95.3	Very high	46 Å²	46	52.8 Å²	52.8	47%	0.474	30%	0.302	S	S	.	.			trans	-103.7	170.3	179	0	0	0	0	0	115	S239	G234-S239 VanDerWaalsContact CA-OG 3.23Å; G234-S239 WeakPolarHBondContact CA-OG 3.5Å
235	Y	85	Confident	95.3	Very high	247 Å²	247	54.9 Å²	54.9	97%	0.969	33%	0.326	S	S	*	.	S	Bend	trans	-94.8	-8.2	171.5	-66.2	-76.6	0	0	0	113.5
236	S	90.3	Very high	95.3	Very high	69 Å²	69	57.7 Å²	57.7	48%	0.483	34%	0.339	S	S	.	.	S	Bend	trans	-136.8	166.1	178.4	65.1	0	0	0	0	110.4	D238 S239	S236-D238 PolarHBondContact O-N 2.79Å; S236-D238 PolarHBondContact OG-O 3.09Å; S236-S239 PolarHBondContact OG-N 3.46Å
237	A	88.2	Confident	95.2	Very high	120 Å²	120	58.9 Å²	58.9	99%	0.992	35%	0.351	S	S	*	.	S	Bend	trans	-63.8	-28.8	176.6	0	0	0	0	0	113
238	D	90.5	Very high	95.2	Very high	61 Å²	61	59.3 Å²	59.3	33%	0.326	35%	0.353	S	S	.	.			trans	-129.9	96.8	171.6	-173.5	5.4	0	0	0	109.4	S236 Y240 E241 R244	S236-D238 PolarHBondContact O-N 2.79Å; S236-D238 PolarHBondContact OG-O 3.09Å; D238-Y240 PolarHBondContact O-N 3.46Å; D238-Y240 PolarHBondContact OD1-N 2.99Å; D238-Y240 VanDerWaalsContact OD1-N 3.1Å; D238-E241 HydrophobicContact CB-CB 4.29Å; D238-E241 PolarHBondContact OD1-N 3.28Å; D238-R244 IonicContact OD1-CZ 3.31Å; D238-R244 IonicContact OD1-NH1 3.17Å; D238-R244 PolarHBondContact OD1-NH1 3.27Å; D238-R244 IonicContact OD1-NH2 3Å; D238-R244 IonicContact OD2-NH1 3.82Å; D238-R244 PolarHBondContact OD2-NH1 2.99Å
239	S	91.2	Very high	95.2	Very high	51 Å²	51	62.6 Å²	62.6	36%	0.357	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-8.3	179.5	-64.4	0	0	0	0	113.1	G234 S236	G234-S239 VanDerWaalsContact CA-OG 3.23Å; G234-S239 WeakPolarHBondContact CA-OG 3.5Å; S236-S239 PolarHBondContact OG-N 3.46Å
240	Y	96.1	Very high	95.2	Very high	22 Å²	22	63.4 Å²	63.4	9%	0.086	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	6.7	-174.6	-45.4	-53.7	0	0	0	113.1	A194 L230 R231 D238 W242 S243 R244 V250 Q252	A194-Y240 HydrophobicContact CB-CD1 4Å; A194-Y240 HydrophobicContact CB-CE1 4.26Å; L230-Y240 HydrophobicContact CB-CE1 3.9Å; L230-Y240 HydrophobicContact CB-CE2 4.15Å; L230-Y240 HydrophobicContact CD1-CD1 3.54Å; L230-Y240 HydrophobicContact CD1-CD2 4.48Å; L230-Y240 HydrophobicContact CD1-CE1 3.61Å; L230-Y240 HydrophobicContact CD1-CG 4Å; L230-Y240 HydrophobicContact CG-CE1 4.32Å; R231-Y240 PolarHBondContact N-OH 3.46Å; R231-Y240 PolarHBondContact O-OH 2.84Å; D238-Y240 PolarHBondContact O-N 3.46Å; D238-Y240 PolarHBondContact OD1-N 2.99Å; D238-Y240 VanDerWaalsContact OD1-N 3.1Å; Y240-W242 PolarHBondContact O-N 3.34Å; Y240-S243 PolarHBondContact O-N 3.17Å; Y240-R244 PolarHBondContact O-N 3.28Å; Y240-R244 VanDerWaalsContact O-N 3.15Å; Y240-V250 HydrophobicContact CD2-CG1 4.18Å; Y240-V250 HydrophobicContact CG-CG1 4.17Å; Y240-Q252 HydrophobicContact CD2-CG 4.13Å; Y240-Q252 HydrophobicContact CE2-CG 3.79Å
241	E	96.8	Very high	95.2	Very high	132 Å²	132	63.5 Å²	63.5	62%	0.617	37%	0.371	S	S	*	.	H	α-helix	trans	-51	-46.5	178.2	-177.2	-172.4	-177.4	0	0	111	D238 S243 R244 A245	D238-E241 HydrophobicContact CB-CB 4.29Å; D238-E241 PolarHBondContact OD1-N 3.28Å; E241-S243 PolarHBondContact O-N 2.86Å; E241-R244 PolarHBondContact O-N 3.08Å; E241-A245 WeakPolarHBondContact O-CB 3.35Å; E241-A245 PolarHBondContact O-N 3.29Å
242	W	97.8	Very high	95.3	Very high	58 Å²	58	65.8 Å²	65.8	22%	0.22	38%	0.382	C	S	.	.	H	α-helix	trans	-60.7	-47	-178	-175.6	83.2	0	0	0	112.5	T196 R212 V215 Y240 R244 A245 Q246 F248	T196-W242 VanDerWaalsContact CB-CE3 3.44Å; T196-W242 VanDerWaalsContact CB-CZ3 3.49Å; T196-W242 HydrophobicContact CG2-CE3 3.78Å; T196-W242 HydrophobicContact CG2-CH2 4.48Å; T196-W242 HydrophobicContact CG2-CZ3 3.38Å; R212-W242 VanDerWaalsContact CD-CE2 3.44Å; R212-W242 HydrophobicContact CG-CH2 4.5Å; R212-W242 VanDerWaalsContact CZ-CE2 3.4Å; V215-W242 HydrophobicContact CB-CH2 3.93Å; V215-W242 HydrophobicContact CB-CZ2 4.47Å; V215-W242 HydrophobicContact CG1-CH2 4.13Å; V215-W242 HydrophobicContact CG1-CZ2 4.26Å; V215-W242 HydrophobicContact CG2-CH2 3.88Å; Y240-W242 PolarHBondContact O-N 3.34Å; W242-R244 PolarHBondContact O-N 3Å; W242-A245 WeakPolarHBondContact O-CB 3.17Å; W242-A245 PolarHBondContact O-N 3.04Å; W242-Q246 HydrophobicContact CD2-CG 4.11Å; W242-Q246 HydrophobicContact CE3-CG 4.1Å; W242-Q246 HydrophobicContact CH2-CG 3.39Å; W242-Q246 VanDerWaalsContact CZ2-CD 3.4Å; W242-Q246 HydrophobicContact CZ2-CG 3.27Å; W242-Q246 HydrophobicContact CZ3-CG 3.77Å; W242-Q246 WeakPolarHBondContact O-CG 3.31Å; W242-Q246 PolarHBondContact O-N 3.07Å; W242-Q246 VanDerWaalsContact O-N 3.13Å; W242-F248 HydrophobicContact CZ3-CE2 4.18Å
243	S	98.2	Very high	95.4	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-58.9	-47.1	178	-65.8	0	0	0	0	111.2	T196 Q227 Y240 E241 A245 Q246 G247 F248	T196-S243 PolarHBondContact OG1-OG 3.4Å; Q227-S243 PolarHBondContact OE1-OG 2.84Å; Y240-S243 PolarHBondContact O-N 3.17Å; E241-S243 PolarHBondContact O-N 2.86Å; S243-A245 VanDerWaalsContact C-N 3.31Å; S243-A245 PolarHBondContact O-N 2.82Å; S243-Q246 PolarHBondContact O-N 2.79Å; S243-G247 PolarHBondContact O-N 2.88Å; S243-F248 VanDerWaalsContact O-CB 3.28Å; S243-F248 WeakPolarHBondContact O-CB 3.24Å; S243-F248 WeakPolarHBondContact O-CG 3.37Å; S243-F248 PolarHBondContact O-N 2.81Å
244	R	98.2	Very high	95.6	Very high	93 Å²	93	63 Å²	63	35%	0.351	34%	0.344	S	S	.	.	H	α-helix	trans	-63.6	-37.9	177.5	-63.6	-171	-164.9	96.9	2.4	111.8	D238 Y240 E241 W242 Q246 G247 V250	D238-R244 IonicContact OD1-CZ 3.31Å; D238-R244 IonicContact OD1-NH1 3.17Å; D238-R244 PolarHBondContact OD1-NH1 3.27Å; D238-R244 IonicContact OD1-NH2 3Å; D238-R244 IonicContact OD2-NH1 3.82Å; D238-R244 PolarHBondContact OD2-NH1 2.99Å; Y240-R244 PolarHBondContact O-N 3.28Å; Y240-R244 VanDerWaalsContact O-N 3.15Å; E241-R244 PolarHBondContact O-N 3.08Å; W242-R244 PolarHBondContact O-N 3Å; R244-Q246 VanDerWaalsContact C-N 3.26Å; R244-Q246 PolarHBondContact O-N 2.92Å; R244-G247 WeakPolarHBondContact O-CA 3.25Å; R244-G247 PolarHBondContact O-N 2.78Å; R244-V250 HydrophobicContact CG-CB 4.34Å; R244-V250 HydrophobicContact CG-CG2 4Å
245	A	98.2	Very high	96	Very high	76 Å²	76	65.1 Å²	65.1	63%	0.628	34%	0.342	S	S	*	.	H	α-helix	trans	-65	-26.6	177.4	0	0	0	0	0	113.3	E241 W242 S243 G247	E241-A245 WeakPolarHBondContact O-CB 3.35Å; E241-A245 PolarHBondContact O-N 3.29Å; W242-A245 WeakPolarHBondContact O-CB 3.17Å; W242-A245 PolarHBondContact O-N 3.04Å; S243-A245 VanDerWaalsContact C-N 3.31Å; S243-A245 PolarHBondContact O-N 2.82Å; A245-G247 VanDerWaalsContact C-N 3.29Å
246	Q	98.5	Very high	96.7	Very high	61 Å²	61	53.3 Å²	53.3	29%	0.285	30%	0.296	S	S	.	.	H	α-helix	trans	-77	-16.7	170.8	-58.5	-44.7	-69.8	0	0	113.2	V215 C222 W242 S243 R244 F248	V215-Q246 HydrophobicContact CG1-CG 4.22Å; C222-Q246 WeakPolarHBondContact CB-O 3.31Å; W242-Q246 HydrophobicContact CD2-CG 4.11Å; W242-Q246 HydrophobicContact CE3-CG 4.1Å; W242-Q246 HydrophobicContact CH2-CG 3.39Å; W242-Q246 VanDerWaalsContact CZ2-CD 3.4Å; W242-Q246 HydrophobicContact CZ2-CG 3.27Å; W242-Q246 HydrophobicContact CZ3-CG 3.77Å; W242-Q246 WeakPolarHBondContact O-CG 3.31Å; W242-Q246 PolarHBondContact O-N 3.07Å; W242-Q246 VanDerWaalsContact O-N 3.13Å; S243-Q246 PolarHBondContact O-N 2.79Å; R244-Q246 VanDerWaalsContact C-N 3.26Å; R244-Q246 PolarHBondContact O-N 2.92Å; Q246-F248 HydrophobicContact CB-CD1 4.03Å; Q246-F248 HydrophobicContact CB-CE1 3.95Å; Q246-F248 HydrophobicContact CB-CZ 4.47Å
247	G	98.3	Very high	97.1	Very high	25 Å²	25	54.6 Å²	54.6	26%	0.258	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	104	8.9	-175.2	0	0	0	0	0	114.4	C222 S243 R244 A245	C222-G247 CarbonylContact O-C 3.52Å; S243-G247 PolarHBondContact O-N 2.88Å; R244-G247 WeakPolarHBondContact O-CA 3.25Å; R244-G247 PolarHBondContact O-N 2.78Å; A245-G247 VanDerWaalsContact C-N 3.29Å
248	F	98.8	Very high	97.5	Very high	9 Å²	9	58.7 Å²	58.7	4%	0.039	29%	0.286	C	S	.	.			trans	-69.3	142.4	178.6	-60.6	-3	0	0	0	110.5	T196 V215 L220 C222 V225 W242 S243 Q246 V250	T196-F248 HydrophobicContact CG2-CE2 4.13Å; V215-F248 HydrophobicContact CG2-CE1 3.91Å; V215-F248 HydrophobicContact CG2-CE2 4.45Å; V215-F248 HydrophobicContact CG2-CZ 3.4Å; L220-F248 HydrophobicContact CD1-CZ 4.39Å; C222-F248 HydrophobicContact CB-CD1 4.35Å; C222-F248 HydrophobicContact CB-CE1 4Å; V225-F248 HydrophobicContact CB-CB 4.32Å; V225-F248 HydrophobicContact CB-CD1 3.48Å; V225-F248 VanDerWaalsContact CB-CD1 3.48Å; V225-F248 HydrophobicContact CB-CD2 4.46Å; V225-F248 HydrophobicContact CB-CE1 3.77Å; V225-F248 HydrophobicContact CB-CG 3.85Å; V225-F248 HydrophobicContact CB-CZ 4.35Å; V225-F248 HydrophobicContact CG1-CB 4.16Å; V225-F248 HydrophobicContact CG1-CD1 3.71Å; V225-F248 HydrophobicContact CG1-CD2 3.77Å; V225-F248 HydrophobicContact CG1-CE1 3.92Å; V225-F248 HydrophobicContact CG1-CE2 3.97Å; V225-F248 HydrophobicContact CG1-CG 3.62Å; V225-F248 HydrophobicContact CG1-CZ 4.01Å; V225-F248 HydrophobicContact CG2-CD1 3.87Å; V225-F248 HydrophobicContact CG2-CE1 3.63Å; V225-F248 HydrophobicContact CG2-CZ 4.2Å; W242-F248 HydrophobicContact CZ3-CE2 4.18Å; S243-F248 VanDerWaalsContact O-CB 3.28Å; S243-F248 WeakPolarHBondContact O-CB 3.24Å; S243-F248 WeakPolarHBondContact O-CG 3.37Å; S243-F248 PolarHBondContact O-N 2.81Å; Q246-F248 HydrophobicContact CB-CD1 4.03Å; Q246-F248 HydrophobicContact CB-CE1 3.95Å; Q246-F248 HydrophobicContact CB-CZ 4.47Å; F248-V250 PolarHBondContact O-N 2.88Å
249	R	98.8	Very high	97.9	Very high	70 Å²	70	61.6 Å²	61.6	26%	0.264	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	113.1	164.9	-178	-177.6	177.2	161.7	7.8	108.8	V225 V226 Q227 V251 E267	V225-R249 PolarHBondContact O-N 2.71Å; V226-R249 CarbonylContact C-O 3.33Å; V226-R249 VanDerWaalsContact CA-O 3.28Å; V226-R249 WeakPolarHBondContact CA-O 3.27Å; V226-R249 HydrophobicContact CB-CB 4.19Å; V226-R249 HydrophobicContact CG2-CB 4Å; V226-R249 HydrophobicContact CG2-CG 3.99Å; Q227-R249 PolarHBondContact N-O 2.93Å; R249-V251 HydrophobicContact CG-CG2 4.17Å; R249-E267 IonicContact CZ-OE2 2.81Å; R249-E267 VanDerWaalsContact CZ-OE2 3.24Å; R249-E267 VanDerWaalsContact NH1-CB 3.3Å; R249-E267 IonicContact NH1-OE2 3.8Å; R249-E267 PolarHBondContact NH1-OE2 2.64Å; R249-E267 IonicContact NH2-OE2 2.71Å; R249-E267 PolarHBondContact NH2-OE2 3.37Å
250	V	98.8	Very high	98.2	Very high	16 Å²	16	61.8 Å²	61.8	10%	0.097	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.8	175.1	169.7	0	0	0	0	109.3	L230 Y240 R244 F248 Q252	L230-V250 HydrophobicContact CD1-CG1 3.65Å; L230-V250 HydrophobicContact CD1-CG2 4.38Å; L230-V250 HydrophobicContact CG-CG1 4.46Å; Y240-V250 HydrophobicContact CD2-CG1 4.18Å; Y240-V250 HydrophobicContact CG-CG1 4.17Å; R244-V250 HydrophobicContact CG-CB 4.34Å; R244-V250 HydrophobicContact CG-CG2 4Å; F248-V250 PolarHBondContact O-N 2.88Å; V250-Q252 HydrophobicContact CG1-CG 4.25Å
251	V	98.8	Very high	98.4	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	102.9	175.4	-175.9	0	0	0	0	108.2	V226 Q227 I228 G229 R249 E255 L264	V226-V251 HydrophobicContact CG2-CG2 4.11Å; Q227-V251 PolarHBondContact O-N 3.15Å; I228-V251 HydrophobicContact CG1-CB 4.36Å; I228-V251 HydrophobicContact CG1-CG2 4.49Å; I228-V251 HydrophobicContact CG2-CB 4.39Å; I228-V251 HydrophobicContact CG2-CG1 4.34Å; G229-V251 PolarHBondContact N-O 2.98Å; R249-V251 HydrophobicContact CG-CG2 4.17Å; V251-E255 HydrophobicContact CG1-CB 4.03Å; V251-L264 HydrophobicContact CG1-CD2 3.99Å; V251-L264 HydrophobicContact CG2-CD1 4.14Å
252	Q	98.7	Very high	98.4	Very high	63 Å²	63	57.5 Å²	57.5	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	159.2	178.2	-72.8	171	93.7	0	0	111.1	L230 Y240 V250 E254 E255	L230-Q252 HydrophobicContact CB-CG 4.4Å; L230-Q252 WeakPolarHBondContact O-CA 3.18Å; Y240-Q252 HydrophobicContact CD2-CG 4.13Å; Y240-Q252 HydrophobicContact CE2-CG 3.79Å; V250-Q252 HydrophobicContact CG1-CG 4.25Å; Q252-E254 PolarHBondContact O-N 3.24Å; Q252-E255 PolarHBondContact N-OE1 3.36Å; Q252-E255 WeakPolarHBondContact O-CB 3.05Å; Q252-E255 PolarHBondContact O-N 3.18Å; Q252-E255 VanDerWaalsContact O-N 3.08Å
253	V	98.5	Very high	98.5	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-63.7	-30	-175.2	79.8	0	0	0	0	112.9	L230 R231 E255 C256 W257 A300 L302	L230-V253 PolarHBondContact O-N 3.2Å; R231-V253 HydrophobicContact CB-CB 4.16Å; R231-V253 HydrophobicContact CB-CG1 3.62Å; R231-V253 HydrophobicContact CG-CG1 4.34Å; V253-E255 PolarHBondContact O-N 3.19Å; V253-C256 WeakPolarHBondContact O-CA 3.38Å; V253-C256 VanDerWaalsContact O-CB 3.22Å; V253-C256 WeakPolarHBondContact O-CB 3.36Å; V253-C256 PolarHBondContact O-N 3.37Å; V253-W257 HydrophobicContact CG1-CZ2 3.78Å; V253-W257 VanDerWaalsContact O-CD1 3.24Å; V253-W257 PolarHBondContact O-N 2.82Å; V253-A300 WeakPolarHBondContact CG2-O 3.12Å; V253-L302 HydrophobicContact CG2-CD2 4.13Å
254	E	98.4	Very high	98.5	Very high	101 Å²	101	59.7 Å²	59.7	47%	0.472	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-61.5	-32.1	176.5	-67.4	76	-172.2	0	0	111.5	Q252 C256 W257	Q252-E254 PolarHBondContact O-N 3.24Å; E254-C256 PolarHBondContact O-N 3.3Å; E254-W257 HydrophobicContact CB-CE3 4.45Å; E254-W257 HydrophobicContact CG-CE3 4.23Å; E254-W257 HydrophobicContact CG-CH2 3.83Å; E254-W257 HydrophobicContact CG-CZ2 4.28Å; E254-W257 HydrophobicContact CG-CZ3 3.81Å
255	E	98.6	Very high	98.5	Very high	90 Å²	90	55.2 Å²	55.2	42%	0.421	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-71.9	-6.6	173.2	-63.2	-177.9	-114	0	0	112.6	V251 Q252 V253 K259	V251-E255 HydrophobicContact CG1-CB 4.03Å; Q252-E255 PolarHBondContact N-OE1 3.36Å; Q252-E255 WeakPolarHBondContact O-CB 3.05Å; Q252-E255 PolarHBondContact O-N 3.18Å; Q252-E255 VanDerWaalsContact O-N 3.08Å; V253-E255 PolarHBondContact O-N 3.19Å; E255-K259 WeakPolarHBondContact O-CE 3.39Å; E255-K259 PolarHBondContact O-NZ 3.27Å
256	C	98.7	Very high	98.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-22.5	-179.8	-57.6	0	0	0	0	112.6	V253 E254 L261 L302 Q306	V253-C256 WeakPolarHBondContact O-CA 3.38Å; V253-C256 VanDerWaalsContact O-CB 3.22Å; V253-C256 WeakPolarHBondContact O-CB 3.36Å; V253-C256 PolarHBondContact O-N 3.37Å; E254-C256 PolarHBondContact O-N 3.3Å; C256-L261 HydrophobicContact CB-CD1 4.46Å; C256-L261 HydrophobicContact CB-CD2 3.85Å; C256-L302 HydrophobicContact CB-CD2 3.66Å; C256-Q306 PolarHBondContact O-NE2 2.9Å
257	W	98.6	Very high	98.6	Very high	96 Å²	96	56.2 Å²	56.2	36%	0.364	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	143.9	-172.2	-66.5	-16.1	0	0	0	113.8	V253 E254 K259 A300	V253-W257 HydrophobicContact CG1-CZ2 3.78Å; V253-W257 VanDerWaalsContact O-CD1 3.24Å; V253-W257 PolarHBondContact O-N 2.82Å; E254-W257 HydrophobicContact CB-CE3 4.45Å; E254-W257 HydrophobicContact CG-CE3 4.23Å; E254-W257 HydrophobicContact CG-CH2 3.83Å; E254-W257 HydrophobicContact CG-CZ2 4.28Å; E254-W257 HydrophobicContact CG-CZ3 3.81Å; W257-K259 PolarHBondContact O-N 2.88Å; W257-A300 HydrophobicContact CZ2-CB 3.88Å; W257-A300 PolarHBondContact NE1-O 3.36Å; W257-A300 VanDerWaalsContact NE1-O 3.15Å
258	F	98	Very high	98.6	Very high	205 Å²	205	55 Å²	55	90%	0.899	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	19.9	173.8	-45.5	-71.1	0	0	0	116.1
259	K	98.1	Very high	98.6	Very high	123 Å²	123	58.6 Å²	58.6	54%	0.535	29%	0.287	S	S	.	.	S	Bend	trans	-149.5	163.7	178.8	64.9	-172.1	175.1	-178	0	113.8	E255 W257 Q306	E255-K259 WeakPolarHBondContact O-CE 3.39Å; E255-K259 PolarHBondContact O-NZ 3.27Å; W257-K259 PolarHBondContact O-N 2.88Å; K259-Q306 PolarHBondContact O-NE2 3.17Å
260	S	98.3	Very high	98.6	Very high	55 Å²	55	59.1 Å²	59.1	39%	0.385	31%	0.306	S	S	.	.			trans	-72	145	170.5	177.2	0	0	0	0	111.1	S262 E309	S260-S262 PolarHBondContact OG-N 3.4Å; S260-S262 PolarHBondContact OG-OG 2.99Å; S260-E309 WeakPolarHBondContact CA-OE2 3.42Å; S260-E309 WeakPolarHBondContact CB-OE1 3.15Å; S260-E309 VanDerWaalsContact OG-CD 3.27Å; S260-E309 PolarHBondContact OG-OE1 2.96Å; S260-E309 PolarHBondContact OG-OE2 3.47Å
261	L	98.8	Very high	98.6	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	31%	0.312	C	S	.	.	S	Bend	trans	-93.9	2.6	176.2	-56.1	-172	0	0	0	113.4	C256 L264 M265 L302 Q306 E309 I310	C256-L261 HydrophobicContact CB-CD1 4.46Å; C256-L261 HydrophobicContact CB-CD2 3.85Å; L261-L264 HydrophobicContact CD2-CD2 4.34Å; L261-L264 WeakPolarHBondContact O-CB 3.31Å; L261-L264 PolarHBondContact O-N 3.15Å; L261-M265 PolarHBondContact O-N 3.34Å; L261-L302 HydrophobicContact CD1-CD2 4.36Å; L261-Q306 HydrophobicContact CD1-CB 3.77Å; L261-Q306 HydrophobicContact CD1-CG 4.12Å; L261-Q306 HydrophobicContact CG-CB 4.24Å; L261-Q306 HydrophobicContact CG-CG 4.1Å; L261-E309 HydrophobicContact CB-CB 4.44Å; L261-E309 PolarHBondContact N-OE2 3.42Å; L261-I310 HydrophobicContact CB-CG1 4.5Å; L261-I310 HydrophobicContact CD1-CD1 3.68Å; L261-I310 HydrophobicContact CD1-CG1 3.81Å
262	S	98.1	Very high	98.6	Very high	61 Å²	61	60.6 Å²	60.6	43%	0.427	31%	0.312	S	S	.	.	H	α-helix	trans	-56.9	-40.7	177.7	-60.3	0	0	0	0	114.1	S260 M265 S266	S260-S262 PolarHBondContact OG-N 3.4Å; S260-S262 PolarHBondContact OG-OG 2.99Å; S262-M265 PolarHBondContact O-N 3.35Å; S262-S266 PolarHBondContact O-N 3.39Å; S262-S266 PolarHBondContact O-OG 3.12Å; S262-S266 VanDerWaalsContact O-OG 3.09Å
263	P	98.7	Very high	98.5	Very high	83 Å²	83	59.6 Å²	59.6	54%	0.539	32%	0.318	S	S	.	.	H	α-helix	trans	-63.8	-46.1	173.8	-23	35.7	0	0	0	112.4	M265 S266 E267	P263-M265 VanDerWaalsContact C-N 3.29Å; P263-M265 PolarHBondContact O-N 3.14Å; P263-S266 WeakPolarHBondContact O-CB 3.4Å; P263-S266 PolarHBondContact O-N 3.36Å; P263-E267 PolarHBondContact O-N 3.23Å
264	L	98.8	Very high	98.5	Very high	21 Å²	21	64.1 Å²	64.1	11%	0.11	36%	0.355	C	S	.	.	H	α-helix	trans	-54.6	-47.3	175.6	170.5	63.1	0	0	0	110.8	I228 V251 L261 S266 E267 V268	I228-L264 HydrophobicContact CD1-CD2 4.39Å; I228-L264 HydrophobicContact CG2-CD2 4.29Å; V251-L264 HydrophobicContact CG1-CD2 3.99Å; V251-L264 HydrophobicContact CG2-CD1 4.14Å; L261-L264 HydrophobicContact CD2-CD2 4.34Å; L261-L264 WeakPolarHBondContact O-CB 3.31Å; L261-L264 PolarHBondContact O-N 3.15Å; L264-S266 PolarHBondContact O-N 2.89Å; L264-E267 WeakPolarHBondContact O-CB 3.3Å; L264-E267 PolarHBondContact O-N 2.68Å; L264-V268 HydrophobicContact CD1-CG2 4.23Å; L264-V268 HydrophobicContact CG-CG2 4.34Å; L264-V268 WeakPolarHBondContact O-CG2 3.49Å; L264-V268 PolarHBondContact O-N 2.79Å
265	M	98.8	Very high	98.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-65.3	-22.3	-179.8	-71.6	-51.2	-56.6	0	0	113.9	I228 L261 S262 P263 V268 R269 I310	I228-M265 HydrophobicContact CD1-SD 4.26Å; L261-M265 PolarHBondContact O-N 3.34Å; S262-M265 PolarHBondContact O-N 3.35Å; P263-M265 VanDerWaalsContact C-N 3.29Å; P263-M265 PolarHBondContact O-N 3.14Å; M265-V268 HydrophobicContact CE-CB 4.06Å; M265-V268 HydrophobicContact CE-CG1 3.85Å; M265-V268 HydrophobicContact SD-CB 4.24Å; M265-V268 HydrophobicContact SD-CG1 4.44Å; M265-V268 HydrophobicContact SD-CG2 4.21Å; M265-R269 WeakPolarHBondContact O-CG 3.18Å; M265-R269 PolarHBondContact O-N 3.32Å; M265-R269 PolarHBondContact O-NH1 3.27Å; M265-I310 HydrophobicContact CE-CG2 4.29Å; M265-I310 WeakPolarHBondContact CE-O 3.46Å; M265-I310 HydrophobicContact SD-CB 4.15Å; M265-I310 HydrophobicContact SD-CG1 4.14Å; M265-I310 HydrophobicContact SD-CG2 3.84Å
266	S	98.6	Very high	98.5	Very high	57 Å²	57	57.2 Å²	57.2	40%	0.399	33%	0.332	S	S	.	.	H	α-helix	trans	-70.6	-38.1	173	-56.4	0	0	0	0	111.8	S262 P263 L264 R269 A270	S262-S266 PolarHBondContact O-N 3.39Å; S262-S266 PolarHBondContact O-OG 3.12Å; S262-S266 VanDerWaalsContact O-OG 3.09Å; P263-S266 WeakPolarHBondContact O-CB 3.4Å; P263-S266 PolarHBondContact O-N 3.36Å; L264-S266 PolarHBondContact O-N 2.89Å; S266-R269 PolarHBondContact OG-NH2 3.33Å; S266-A270 PolarHBondContact O-N 2.98Å
267	E	98.8	Very high	98.5	Very high	101 Å²	101	57.2 Å²	57.2	47%	0.472	33%	0.332	S	S	.	.	H	α-helix	trans	-70.2	-41.5	172.8	-58.7	170.1	-165.7	0	0	111.7	R249 P263 L264 R269 A270 Q271	R249-E267 IonicContact CZ-OE2 2.81Å; R249-E267 VanDerWaalsContact CZ-OE2 3.24Å; R249-E267 VanDerWaalsContact NH1-CB 3.3Å; R249-E267 IonicContact NH1-OE2 3.8Å; R249-E267 PolarHBondContact NH1-OE2 2.64Å; R249-E267 IonicContact NH2-OE2 2.71Å; R249-E267 PolarHBondContact NH2-OE2 3.37Å; P263-E267 PolarHBondContact O-N 3.23Å; L264-E267 WeakPolarHBondContact O-CB 3.3Å; L264-E267 PolarHBondContact O-N 2.68Å; E267-R269 VanDerWaalsContact C-N 3.31Å; E267-R269 PolarHBondContact O-N 3.46Å; E267-A270 WeakPolarHBondContact O-CB 3.43Å; E267-A270 PolarHBondContact O-N 3.22Å; E267-A270 VanDerWaalsContact O-N 3.14Å; E267-Q271 PolarHBondContact O-N 2.95Å
268	V	98.8	Very high	98.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-57.9	-45.1	174.9	171	0	0	0	0	110.4	V188 V226 I228 L264 M265 A270 Q271 M272	V188-V268 HydrophobicContact CG2-CG1 3.91Å; V226-V268 HydrophobicContact CG1-CG1 3.81Å; V226-V268 HydrophobicContact CG1-CG2 4.16Å; V226-V268 HydrophobicContact CG2-CG2 4.21Å; I228-V268 HydrophobicContact CD1-CG2 4.43Å; L264-V268 HydrophobicContact CD1-CG2 4.23Å; L264-V268 HydrophobicContact CG-CG2 4.34Å; L264-V268 WeakPolarHBondContact O-CG2 3.49Å; L264-V268 PolarHBondContact O-N 2.79Å; M265-V268 HydrophobicContact CE-CB 4.06Å; M265-V268 HydrophobicContact CE-CG1 3.85Å; M265-V268 HydrophobicContact SD-CB 4.24Å; M265-V268 HydrophobicContact SD-CG1 4.44Å; M265-V268 HydrophobicContact SD-CG2 4.21Å; V268-A270 VanDerWaalsContact C-N 3.32Å; V268-A270 PolarHBondContact O-N 3.31Å; V268-Q271 WeakPolarHBondContact O-CB 3.33Å; V268-Q271 PolarHBondContact O-N 3.21Å; V268-M272 HydrophobicContact CG1-CG 4.23Å; V268-M272 VanDerWaalsContact O-CG 3.32Å; V268-M272 WeakPolarHBondContact O-CG 3.23Å; V268-M272 PolarHBondContact O-N 3.17Å
269	R	98.8	Very high	98.6	Very high	83 Å²	83	42.9 Å²	42.9	31%	0.313	27%	0.272	S	S	.	.	H	α-helix	trans	-60.2	-41.4	175.8	-76.6	-167.9	-58.8	-76.8	-2.4	112.8	M265 S266 E267 Q271 M272 G273 G313 R315 L317	M265-R269 WeakPolarHBondContact O-CG 3.18Å; M265-R269 PolarHBondContact O-N 3.32Å; M265-R269 PolarHBondContact O-NH1 3.27Å; S266-R269 PolarHBondContact OG-NH2 3.33Å; E267-R269 VanDerWaalsContact C-N 3.31Å; E267-R269 PolarHBondContact O-N 3.46Å; R269-Q271 VanDerWaalsContact C-N 3.33Å; R269-M272 PolarHBondContact O-N 3.48Å; R269-G273 PolarHBondContact O-N 3.21Å; R269-G273 VanDerWaalsContact O-N 3.1Å; R269-G313 WeakPolarHBondContact CD-O 3.48Å; R269-G313 WeakPolarHBondContact CG-O 3.24Å; R269-G313 PolarHBondContact NH1-O 3.46Å; R269-R315 WeakPolarHBondContact CD-O 3.47Å; R269-L317 HydrophobicContact CB-CD2 4.21Å; R269-L317 HydrophobicContact CG-CD1 4.4Å; R269-L317 HydrophobicContact CG-CD2 3.99Å; R269-L317 HydrophobicContact CG-CG 4.14Å
270	A	98.6	Very high	98.6	Very high	81 Å²	81	37 Å²	37	67%	0.669	25%	0.246	S	C	*	.	H	α-helix	trans	-63	-41.2	176.5	0	0	0	0	0	111.6	S266 E267 V268 G273	S266-A270 PolarHBondContact O-N 2.98Å; E267-A270 WeakPolarHBondContact O-CB 3.43Å; E267-A270 PolarHBondContact O-N 3.22Å; E267-A270 VanDerWaalsContact O-N 3.14Å; V268-A270 VanDerWaalsContact C-N 3.32Å; V268-A270 PolarHBondContact O-N 3.31Å; A270-G273 PolarHBondContact O-N 3.34Å
271	Q	98.7	Very high	98.6	Very high	50 Å²	50	34.4 Å²	34.4	23%	0.234	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-44	175.6	-172.5	-170.9	-5.9	0	0	112	Q223 V225 E267 V268 R269 G273	Q223-Q271 PolarHBondContact O-NE2 3.33Å; V225-Q271 PolarHBondContact O-NE2 3.03Å; V225-Q271 VanDerWaalsContact O-NE2 3.1Å; E267-Q271 PolarHBondContact O-N 2.95Å; V268-Q271 WeakPolarHBondContact O-CB 3.33Å; V268-Q271 PolarHBondContact O-N 3.21Å; R269-Q271 VanDerWaalsContact C-N 3.33Å; Q271-G273 VanDerWaalsContact C-N 3.32Å; Q271-G273 PolarHBondContact O-N 3.35Å
272	M	98.7	Very high	98.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.1	-30.4	-179	-68.7	-51.9	106.3	0	0	113.3	V188 R224 V226 V268 R269 V277 L317	V188-M272 HydrophobicContact CG2-CG 4.17Å; V188-M272 HydrophobicContact CG2-SD 4.12Å; R224-M272 VanDerWaalsContact C-CE 3.45Å; R224-M272 HydrophobicContact CB-CE 4.22Å; R224-M272 HydrophobicContact CB-SD 4.31Å; R224-M272 WeakPolarHBondContact CD-O 3.43Å; R224-M272 PolarHBondContact NH1-O 3.21Å; R224-M272 WeakPolarHBondContact O-CE 3.29Å; R224-M272 VanDerWaalsContact O-SD 3.35Å; V226-M272 HydrophobicContact CG1-CE 4.32Å; V268-M272 HydrophobicContact CG1-CG 4.23Å; V268-M272 VanDerWaalsContact O-CG 3.32Å; V268-M272 WeakPolarHBondContact O-CG 3.23Å; V268-M272 PolarHBondContact O-N 3.17Å; R269-M272 PolarHBondContact O-N 3.48Å; M272-V277 HydrophobicContact CB-CG2 3.79Å; M272-V277 HydrophobicContact CG-CG1 4.35Å; M272-V277 HydrophobicContact CG-CG2 4.03Å; M272-V277 HydrophobicContact SD-CG1 4.11Å; M272-V277 HydrophobicContact SD-CG2 4.12Å; M272-L317 HydrophobicContact CB-CD1 4.2Å; M272-L317 HydrophobicContact CB-CD2 3.75Å; M272-L317 HydrophobicContact CG-CD1 4Å; M272-L317 HydrophobicContact CG-CD2 4.45Å
273	G	97.9	Very high	98.7	Very high	41 Å²	41	31.5 Å²	31.5	42%	0.423	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	-148.9	179.6	0	0	0	0	0	113.3	R269 A270 Q271	R269-G273 PolarHBondContact O-N 3.21Å; R269-G273 VanDerWaalsContact O-N 3.1Å; A270-G273 PolarHBondContact O-N 3.34Å; Q271-G273 VanDerWaalsContact C-N 3.32Å; Q271-G273 PolarHBondContact O-N 3.35Å
274	A	97.6	Very high	98.7	Very high	96 Å²	96	27.6 Å²	27.6	79%	0.793	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-4.9	-179.3	0	0	0	0	0	114.1
275	G	98.4	Very high	98.7	Very high	24 Å²	24	26.6 Å²	26.6	25%	0.247	18%	0.177	C	C	.	.	S	Bend	trans	-70.5	168.3	-177.9	0	0	0	0	0	112.9
276	P	98.8	Very high	98.7	Very high	23 Å²	23	26.7 Å²	26.7	15%	0.149	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	139.9	175.2	28.5	-35.1	0	0	0	110.6	H182 V185 G186 R224 V320	H182-P276 HydrophobicContact CB-CB 4.15Å; H182-P276 HydrophobicContact CB-CG 4.17Å; V185-P276 HydrophobicContact CG1-CB 3.97Å; V185-P276 HydrophobicContact CG1-CG 4Å; G186-P276 PolarHBondContact N-O 3.25Å; R224-P276 PolarHBondContact NH1-O 3.01Å; R224-P276 PolarHBondContact NH2-O 3.28Å; P276-V320 HydrophobicContact CB-CB 4.48Å; P276-V320 HydrophobicContact CB-CG1 3.63Å; P276-V320 HydrophobicContact CB-CG2 4Å
277	V	98.9	Very high	98.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	136.1	-179.5	-179.9	0	0	0	0	109.6	G186 V188 M272 L317 N318 L319 V320	G186-V277 CarbonylContact O-C 2.97Å; G186-V277 WeakPolarHBondContact O-CA 3.29Å; V188-V277 HydrophobicContact CG2-CG1 4.1Å; M272-V277 HydrophobicContact CB-CG2 3.79Å; M272-V277 HydrophobicContact CG-CG1 4.35Å; M272-V277 HydrophobicContact CG-CG2 4.03Å; M272-V277 HydrophobicContact SD-CG1 4.11Å; M272-V277 HydrophobicContact SD-CG2 4.12Å; V277-L317 HydrophobicContact CG1-CD1 4.39Å; V277-N318 PolarHBondContact N-O 3.43Å; V277-L319 HydrophobicContact CB-CD2 4.17Å; V277-L319 HydrophobicContact CG1-CD2 4.01Å; V277-L319 WeakPolarHBondContact O-CA 3.44Å; V277-V320 WeakPolarHBondContact O-CG2 3.41Å; V277-V320 PolarHBondContact O-N 3.2Å
278	Y	98.9	Very high	98.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.5	167.4	-162.1	-89.8	0	0	0	109.5	I174 L175 V178 G186 L187 V188 G321 D323	I174-Y278 HydrophobicContact CG2-CE2 3.92Å; I174-Y278 WeakPolarHBondContact CG2-OH 3.35Å; L175-Y278 HydrophobicContact CD2-CD1 4.14Å; L175-Y278 HydrophobicContact CD2-CD2 4.14Å; L175-Y278 HydrophobicContact CD2-CG 3.81Å; V178-Y278 HydrophobicContact CG1-CD2 4.4Å; V178-Y278 HydrophobicContact CG2-CD2 4.11Å; V178-Y278 HydrophobicContact CG2-CE2 4.06Å; G186-Y278 PolarHBondContact O-N 3.38Å; L187-Y278 WeakPolarHBondContact CA-O 3.46Å; L187-Y278 HydrophobicContact CD1-CD1 4.14Å; V188-Y278 PolarHBondContact N-O 3.42Å; Y278-G321 WeakPolarHBondContact CD2-O 3.43Å; Y278-G321 VanDerWaalsContact CE2-C 3.48Å; Y278-D323 HydrophobicContact CE1-CB 4.49Å; Y278-D323 VanDerWaalsContact CE1-OD2 3.3Å; Y278-D323 WeakPolarHBondContact CE1-OD2 3.28Å; Y278-D323 PolarHBondContact OH-OD2 3.29Å
279	L	98.9	Very high	98.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	111.3	175.2	170.1	62.3	0	0	0	108.9	V188 I311 L319 G321 C322 D323 M348	V188-L279 HydrophobicContact CB-CD1 3.88Å; V188-L279 HydrophobicContact CG1-CD1 3.73Å; V188-L279 WeakPolarHBondContact O-CA 3.13Å; L279-I311 HydrophobicContact CD2-CG1 4.45Å; L279-I311 HydrophobicContact CD2-CG2 4.46Å; L279-L319 HydrophobicContact CB-CD2 4.15Å; L279-G321 PolarHBondContact N-O 3.25Å; L279-G321 VanDerWaalsContact N-O 3.15Å; L279-C322 HydrophobicContact CB-CB 4.23Å; L279-C322 CarbonylContact O-C 3.54Å; L279-C322 WeakPolarHBondContact O-CA 3.39Å; L279-C322 WeakPolarHBondContact O-CB 3.47Å; L279-D323 PolarHBondContact O-N 2.8Å; L279-M348 HydrophobicContact CD2-CE 4.25Å; L279-M348 HydrophobicContact CD2-CG 3.9Å; L279-M348 HydrophobicContact CD2-SD 4.47Å; L279-M348 HydrophobicContact CG-CE 4.37Å
280	S	99	Very high	98.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.6	173.1	135.7	0	0	0	0	109.2	H168 V188 H189 V190 D323	H168-S280 PolarHBondContact CE1-OG 3.31Å; H168-S280 PolarHBondContact NE2-OG 3.1Å; V188-S280 PolarHBondContact O-N 3.02Å; H189-S280 WeakPolarHBondContact CA-O 3.44Å; H189-S280 PolarHBondContact CD2-OG 3.32Å; V190-S280 PolarHBondContact N-O 2.75Å; S280-D323 WeakPolarHBondContact CA-OD1 3.37Å; S280-D323 WeakPolarHBondContact CB-OD1 3.41Å; S280-D323 PolarHBondContact OG-OD1 3.06Å
281	F	98.9	Very high	98.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	109.3	-177.6	-162.4	-63.6	0	0	0	109.1	V190 A285 L286 I311 D323 L324 V325 L344 M348	V190-F281 HydrophobicContact CB-CD2 3.8Å; V190-F281 HydrophobicContact CB-CE2 4.03Å; V190-F281 HydrophobicContact CB-CG 4.14Å; V190-F281 HydrophobicContact CG1-CD2 4.03Å; V190-F281 HydrophobicContact CG1-CE1 4.44Å; V190-F281 HydrophobicContact CG1-CE2 3.71Å; V190-F281 HydrophobicContact CG1-CZ 3.92Å; V190-F281 HydrophobicContact CG2-CD2 3.98Å; V190-F281 HydrophobicContact CG2-CE2 4.28Å; F281-A285 HydrophobicContact CE1-CB 4.44Å; F281-L286 HydrophobicContact CE1-CG 4.32Å; F281-L286 HydrophobicContact CZ-CD2 4.23Å; F281-L286 HydrophobicContact CZ-CG 4.46Å; F281-I311 HydrophobicContact CD2-CD1 3.98Å; F281-I311 HydrophobicContact CD2-CG1 4.07Å; F281-I311 HydrophobicContact CE2-CD1 4.03Å; F281-I311 HydrophobicContact CE2-CG1 4.18Å; F281-D323 PolarHBondContact N-O 3.08Å; F281-D323 VanDerWaalsContact N-O 3.09Å; F281-D323 PolarHBondContact N-OD1 2.96Å; F281-L324 HydrophobicContact CB-CD2 4.34Å; F281-L324 HydrophobicContact CD1-CD2 3.89Å; F281-L324 HydrophobicContact CG-CD2 4.48Å; F281-L324 VanDerWaalsContact O-CA 3.31Å; F281-L324 WeakPolarHBondContact O-CA 3.39Å; F281-L324 WeakPolarHBondContact O-CD2 3.45Å; F281-V325 PolarHBondContact O-N 3.3Å; F281-L344 HydrophobicContact CD1-CD1 4.1Å; F281-L344 HydrophobicContact CE1-CD1 3.67Å; F281-L344 HydrophobicContact CE2-CD1 4.5Å; F281-L344 HydrophobicContact CZ-CD1 3.9Å; F281-M348 HydrophobicContact CB-CE 3.37Å; F281-M348 HydrophobicContact CD2-CE 4.26Å; F281-M348 HydrophobicContact CG-CE 4.05Å
282	D	98.9	Very high	98.6	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.011	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130.2	167.3	-159.9	-52.9	0	0	0	109.9	H168 V190 D191 D284 A285 V325 E326	H168-D282 IonicContact CG-OD2 3.79Å; H168-D282 IonicContact ND1-OD2 3.58Å; H168-D282 PolarHBondContact ND1-OD2 3.06Å; V190-D282 PolarHBondContact O-N 2.81Å; D191-D282 HydrophobicContact CB-CB 4Å; D191-D282 VanDerWaalsContact CG-CB 3.45Å; D191-D282 VanDerWaalsContact OD2-CB 3.26Å; D191-D282 WeakPolarHBondContact OD2-CB 3.15Å; D282-D284 PolarHBondContact O-N 3.43Å; D282-D284 WeakPolarHBondContact OD1-CB 3.48Å; D282-D284 PolarHBondContact OD1-N 3.38Å; D282-A285 VanDerWaalsContact O-CB 3.23Å; D282-A285 WeakPolarHBondContact O-CB 3.47Å; D282-A285 PolarHBondContact O-N 3.13Å; D282-V325 HydrophobicContact CB-CG2 4.01Å; D282-V325 WeakPolarHBondContact OD2-CG2 3.38Å; D282-E326 WeakPolarHBondContact OD1-CB 3.34Å; D282-E326 WeakPolarHBondContact OD2-CG 3.18Å
283	I	98.9	Very high	98.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-64.8	-24.4	179.2	-159.1	66.9	0	0	0	112	A285 L286 A291 L324 V325 E326 V327 T337 T340 L344	I283-A285 PolarHBondContact O-N 2.93Å; I283-L286 HydrophobicContact CD1-CD1 4.08Å; I283-L286 WeakPolarHBondContact O-CB 3.47Å; I283-L286 PolarHBondContact O-N 3.31Å; I283-A291 HydrophobicContact CG1-CB 3.85Å; I283-L324 HydrophobicContact CB-CD2 4.19Å; I283-L324 HydrophobicContact CD1-CD2 4.11Å; I283-V325 PolarHBondContact N-O 3.11Å; I283-E326 HydrophobicContact CG2-CB 4.19Å; I283-V327 HydrophobicContact CB-CG2 4.1Å; I283-V327 HydrophobicContact CG1-CG2 4.15Å; I283-V327 HydrophobicContact CG2-CG2 4.11Å; I283-T337 HydrophobicContact CG1-CG2 3.66Å; I283-T337 HydrophobicContact CG2-CG2 4.3Å; I283-T340 HydrophobicContact CD1-CG2 4.07Å; I283-L344 HydrophobicContact CD1-CD1 3.9Å
284	D	98.8	Very high	98.7	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-75	-8.4	178.4	85.9	9.3	0	0	0	113.7	A192 H193 R231 D282 L286 T294 T296	A192-D284 VanDerWaalsContact CB-OD1 3.28Å; A192-D284 WeakPolarHBondContact CB-OD1 2.67Å; A192-D284 PolarHBondContact N-OD1 2.74Å; H193-D284 IonicContact CE1-OD2 3.57Å; H193-D284 PolarHBondContact CE1-OD2 3.22Å; H193-D284 VanDerWaalsContact CE1-OD2 3.23Å; H193-D284 IonicContact ND1-OD1 3.44Å; H193-D284 IonicContact ND1-OD2 2.73Å; H193-D284 PolarHBondContact ND1-OD2 3.28Å; R231-D284 PolarHBondContact NH2-O 2.95Å; D282-D284 PolarHBondContact O-N 3.43Å; D282-D284 WeakPolarHBondContact OD1-CB 3.48Å; D282-D284 PolarHBondContact OD1-N 3.38Å; D284-L286 PolarHBondContact O-N 3.09Å; D284-L286 VanDerWaalsContact O-O 3.09Å; D284-T294 HydrophobicContact CB-CG2 3.62Å; D284-T294 WeakPolarHBondContact CB-OG1 3.24Å; D284-T296 PolarHBondContact OD2-OG1 3.19Å
285	A	98.8	Very high	98.7	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-56.8	-30.6	164.8	0	0	0	0	0	111.7	V190 R231 F281 D282 I283 L302	V190-A285 HydrophobicContact CG1-CB 3.76Å; R231-A285 PolarHBondContact NH1-O 3.21Å; F281-A285 HydrophobicContact CE1-CB 4.44Å; D282-A285 VanDerWaalsContact O-CB 3.23Å; D282-A285 WeakPolarHBondContact O-CB 3.47Å; D282-A285 PolarHBondContact O-N 3.13Å; I283-A285 PolarHBondContact O-N 2.93Å; A285-L302 HydrophobicContact CB-CD1 4.46Å; A285-L302 WeakPolarHBondContact O-CB 3.46Å; A285-L302 PolarHBondContact O-N 3.28Å
286	L	98.9	Very high	98.7	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-78.6	148	175.3	-57.1	-176.8	0	0	0	111.1	R231 F281 I283 D284 A291 L302 T340 L344	R231-L286 PolarHBondContact NH2-O 3.38Å; F281-L286 HydrophobicContact CE1-CG 4.32Å; F281-L286 HydrophobicContact CZ-CD2 4.23Å; F281-L286 HydrophobicContact CZ-CG 4.46Å; I283-L286 HydrophobicContact CD1-CD1 4.08Å; I283-L286 WeakPolarHBondContact O-CB 3.47Å; I283-L286 PolarHBondContact O-N 3.31Å; D284-L286 PolarHBondContact O-N 3.09Å; D284-L286 VanDerWaalsContact O-O 3.09Å; L286-A291 HydrophobicContact CB-CB 3.94Å; L286-A291 HydrophobicContact CD1-CB 4.44Å; L286-L302 CarbonylContact C-O 3.54Å; L286-L302 WeakPolarHBondContact CA-O 3.5Å; L286-L302 HydrophobicContact CD2-CB 4.13Å; L286-T340 HydrophobicContact CD1-CG2 3.68Å; L286-L344 HydrophobicContact CD1-CD1 4.33Å
287	D	98.8	Very high	98.7	Very high	38 Å²	38	16.9 Å²	16.9	20%	0.203	11%	0.109	C	C	.	.			trans	-58.6	139.9	174.4	-170.9	-81.9	0	0	0	110.9	G289 F290 A291 A300 G301 L302	D287-G289 PolarHBondContact O-N 2.99Å; D287-G289 PolarHBondContact OD1-N 3.08Å; D287-F290 HydrophobicContact CB-CD2 3.99Å; D287-F290 HydrophobicContact CB-CE2 4.38Å; D287-F290 PolarHBondContact O-N 3.26Å; D287-A291 PolarHBondContact O-N 3.07Å; D287-A300 WeakPolarHBondContact OD2-CA 3.14Å; D287-A300 PolarHBondContact OD2-N 3.23Å; D287-G301 PolarHBondContact OD2-N 3.35Å; D287-L302 PolarHBondContact N-O 2.81Å
288	P	98.5	Very high	98.6	Very high	33 Å²	33	19.2 Å²	19.2	21%	0.214	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.9	179.1	22.1	-34.3	0	0	0	114	F290 P292 P297 E298 I299	P288-F290 PolarHBondContact O-N 3.35Å; P288-P292 WeakPolarHBondContact O-CA 3.33Å; P288-P292 WeakPolarHBondContact O-CD 3.49Å; P288-P297 HydrophobicContact CB-CB 4.09Å; P288-E298 WeakPolarHBondContact CD-O 3.19Å; P288-I299 HydrophobicContact CG-CG2 4.18Å
289	G	98	Very high	98.6	Very high	64 Å²	64	25.5 Å²	25.5	66%	0.66	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-20.9	167.2	0	0	0	0	0	114	D287	D287-G289 PolarHBondContact O-N 2.99Å; D287-G289 PolarHBondContact OD1-N 3.08Å
290	F	98.2	Very high	98.6	Very high	95 Å²	95	27.5 Å²	27.5	42%	0.417	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-34.9	177.1	-56.5	-72.2	0	0	0	113.2	D287 P288 P292 T303 P304	D287-F290 HydrophobicContact CB-CD2 3.99Å; D287-F290 HydrophobicContact CB-CE2 4.38Å; D287-F290 PolarHBondContact O-N 3.26Å; P288-F290 PolarHBondContact O-N 3.35Å; F290-P292 VanDerWaalsContact C-CD 3.43Å; F290-P292 WeakPolarHBondContact O-CD 3.47Å; F290-T303 HydrophobicContact CE2-CG2 4.13Å; F290-P304 HydrophobicContact CB-CG 3.74Å; F290-P304 HydrophobicContact CD1-CG 3.73Å; F290-P304 VanDerWaalsContact CD2-CD 3.44Å; F290-P304 HydrophobicContact CD2-CG 4.18Å; F290-P304 HydrophobicContact CE1-CG 4.38Å; F290-P304 VanDerWaalsContact CG-CD 3.4Å; F290-P304 HydrophobicContact CG-CG 3.62Å
291	A	98.5	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.173	C	C	.	.			trans	-124.5	65.8	-179.5	0	0	0	0	0	111.8	I283 L286 D287 G293 T337	I283-A291 HydrophobicContact CG1-CB 3.85Å; L286-A291 HydrophobicContact CB-CB 3.94Å; L286-A291 HydrophobicContact CD1-CB 4.44Å; D287-A291 PolarHBondContact O-N 3.07Å; A291-G293 PolarHBondContact O-N 2.88Å; A291-T337 HydrophobicContact CB-CG2 3.96Å
292	P	98.5	Very high	98.6	Very high	54 Å²	54	28 Å²	28	35%	0.351	17%	0.173	S	C	.	.			trans	-66.2	-22.8	-179.1	27.2	-36.4	0	0	0	113.6	P288 F290 T294 T337	P288-P292 WeakPolarHBondContact O-CA 3.33Å; P288-P292 WeakPolarHBondContact O-CD 3.49Å; F290-P292 VanDerWaalsContact C-CD 3.43Å; F290-P292 WeakPolarHBondContact O-CD 3.47Å; P292-T294 PolarHBondContact O-N 2.83Å; P292-T294 VanDerWaalsContact O-N 3.12Å; P292-T337 VanDerWaalsContact CD-OG1 3.27Å; P292-T337 WeakPolarHBondContact CD-OG1 3.46Å
293	G	98.7	Very high	98.6	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.186	C	C	.	.			trans	-84.5	65.5	-175.3	0	0	0	0	0	114.4	A291 S328 T337	A291-G293 PolarHBondContact O-N 2.88Å; G293-S328 PolarHBondContact O-N 3.48Å; G293-T337 PolarHBondContact N-OG1 3.45Å
294	T	98.8	Very high	98.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	20%	0.198	C	C	.	.	S	Bend	trans	-142.9	161.8	177.1	-176.2	0	0	0	0	112.3	D284 P292 P297 E326	D284-T294 HydrophobicContact CB-CG2 3.62Å; D284-T294 WeakPolarHBondContact CB-OG1 3.24Å; P292-T294 PolarHBondContact O-N 2.83Å; P292-T294 VanDerWaalsContact O-N 3.12Å; T294-P297 HydrophobicContact CG2-CB 3.9Å; T294-E326 WeakPolarHBondContact CA-O 3.2Å; T294-E326 PolarHBondContact OG1-O 2.83Å
295	G	98.5	Very high	98.5	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.01	23%	0.227	C	C	.	.	S	Bend	trans	-71	-37.8	-177.2	0	0	0	0	0	114.5	N92 R93	N92-G295 PolarHBondContact ND2-O 2.93Å; R93-G295 WeakPolarHBondContact CB-O 3.42Å; R93-G295 WeakPolarHBondContact CD-O 2.92Å
296	T	98.3	Very high	98.5	Very high	25 Å²	25	38.3 Å²	38.3	15%	0.153	23%	0.231	C	C	.	.	S	Bend	trans	-130.5	55.8	-168.7	37.2	0	0	0	0	112.9	N92 H193 D284 E298	N92-T296 HydrophobicContact CB-CG2 4.48Å; H193-T296 PolarHBondContact CE1-O 3.23Å; H193-T296 VanDerWaalsContact CE1-O 3.27Å; D284-T296 PolarHBondContact OD2-OG1 3.19Å; T296-E298 PolarHBondContact O-N 3.18Å
297	P	98.1	Very high	98.5	Very high	39 Å²	39	38.3 Å²	38.3	25%	0.253	23%	0.231	S	C	.	.			trans	-64.2	129.2	-174	27.6	-35	0	0	0	112.5	P288 T294	P288-P297 HydrophobicContact CB-CB 4.09Å; T294-P297 HydrophobicContact CG2-CB 3.9Å
298	E	98.6	Very high	98.5	Very high	49 Å²	49	38.1 Å²	38.1	23%	0.229	23%	0.231	C	C	.	.			trans	-111.5	130.3	170.7	-65	-65.4	170.3	0	0	110.3	A192 H193 R231 P288 T296	A192-E298 HydrophobicContact CB-CB 4.14Å; A192-E298 HydrophobicContact CB-CG 4.05Å; H193-E298 WeakPolarHBondContact NE2-CG 3.43Å; H193-E298 IonicContact NE2-OE1 3.04Å; H193-E298 PolarHBondContact NE2-OE1 3.11Å; R231-E298 HydrophobicContact CG-CB 3.92Å; R231-E298 PolarHBondContact NE-O 3.4Å; R231-E298 PolarHBondContact NH2-O 2.93Å; P288-E298 WeakPolarHBondContact CD-O 3.19Å; T296-E298 PolarHBondContact O-N 3.18Å
299	I	98.4	Very high	98.5	Very high	133 Å²	133	38.5 Å²	38.5	68%	0.682	23%	0.23	S	C	*	.	S	Bend	trans	-68.9	168.2	179.5	63.4	163.2	0	0	0	112.6	R231 P288 G301	R231-I299 WeakPolarHBondContact CD-O 3.32Å; R231-I299 PolarHBondContact NE-O 2.72Å; R231-I299 VanDerWaalsContact NE-O 3.12Å; P288-I299 HydrophobicContact CG-CG2 4.18Å; I299-G301 VanDerWaalsContact C-N 3.28Å; I299-G301 PolarHBondContact O-N 2.96Å
300	A	98.1	Very high	98.6	Very high	42 Å²	42	35.5 Å²	35.5	35%	0.347	20%	0.198	S	C	.	.	S	Bend	trans	59.6	37.3	176.4	0	0	0	0	0	113.5	V253 W257 D287	V253-A300 WeakPolarHBondContact CG2-O 3.12Å; W257-A300 HydrophobicContact CZ2-CB 3.88Å; W257-A300 PolarHBondContact NE1-O 3.36Å; W257-A300 VanDerWaalsContact NE1-O 3.15Å; D287-A300 WeakPolarHBondContact OD2-CA 3.14Å; D287-A300 PolarHBondContact OD2-N 3.23Å
301	G	98.8	Very high	98.6	Very high	9 Å²	9	31 Å²	31	9%	0.093	18%	0.179	C	C	.	.			trans	-79.3	-171.1	-177.3	0	0	0	0	0	114.5	D287 I299	D287-G301 PolarHBondContact OD2-N 3.35Å; I299-G301 VanDerWaalsContact C-N 3.28Å; I299-G301 PolarHBondContact O-N 2.96Å
302	L	98.9	Very high	98.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-69.1	153.3	173.8	-61.3	176	0	0	0	110.9	V190 V253 C256 L261 A285 L286 D287 Q306 I310	V190-L302 HydrophobicContact CG1-CD1 3.98Å; V253-L302 HydrophobicContact CG2-CD2 4.13Å; C256-L302 HydrophobicContact CB-CD2 3.66Å; L261-L302 HydrophobicContact CD1-CD2 4.36Å; A285-L302 HydrophobicContact CB-CD1 4.46Å; A285-L302 WeakPolarHBondContact O-CB 3.46Å; A285-L302 PolarHBondContact O-N 3.28Å; L286-L302 CarbonylContact C-O 3.54Å; L286-L302 WeakPolarHBondContact CA-O 3.5Å; L286-L302 HydrophobicContact CD2-CB 4.13Å; D287-L302 PolarHBondContact N-O 2.81Å; L302-Q306 HydrophobicContact CB-CB 4.44Å; L302-Q306 HydrophobicContact CD2-CB 4.47Å; L302-I310 HydrophobicContact CD1-CD1 3.95Å
303	T	98.8	Very high	98.6	Very high	46 Å²	46	32.9 Å²	32.9	28%	0.282	18%	0.181	S	C	.	.			trans	-85.9	156.5	168.8	64	0	0	0	0	110.9	F290 I305 Q306 G307	F290-T303 HydrophobicContact CE2-CG2 4.13Å; T303-I305 PolarHBondContact O-N 2.87Å; T303-I305 VanDerWaalsContact O-N 3.13Å; T303-Q306 WeakPolarHBondContact O-CB 3.42Å; T303-Q306 PolarHBondContact O-N 2.87Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.26Å; T303-Q306 PolarHBondContact OG1-N 2.92Å; T303-Q306 PolarHBondContact OG1-OE1 2.99Å; T303-G307 PolarHBondContact O-N 3.39Å
304	P	98.3	Very high	98.6	Very high	37 Å²	37	32.9 Å²	32.9	24%	0.24	18%	0.181	C	C	.	.	H	α-helix	trans	-55.7	-30.1	172.2	-28.4	35	0	0	0	113.4	F290 G307 V308	F290-P304 HydrophobicContact CB-CG 3.74Å; F290-P304 HydrophobicContact CD1-CG 3.73Å; F290-P304 VanDerWaalsContact CD2-CD 3.44Å; F290-P304 HydrophobicContact CD2-CG 4.18Å; F290-P304 HydrophobicContact CE1-CG 4.38Å; F290-P304 VanDerWaalsContact CG-CD 3.4Å; F290-P304 HydrophobicContact CG-CG 3.62Å; P304-G307 PolarHBondContact O-N 3.12Å; P304-V308 WeakPolarHBondContact O-CG2 3.46Å; P304-V308 PolarHBondContact O-N 2.75Å
305	I	98.6	Very high	98.6	Very high	123 Å²	123	39.1 Å²	39.1	63%	0.631	21%	0.205	S	C	*	.	H	α-helix	trans	-60.4	-49.7	174.6	-63.1	172.1	0	0	0	109.9	T303 V308 E309	T303-I305 PolarHBondContact O-N 2.87Å; T303-I305 VanDerWaalsContact O-N 3.13Å; I305-V308 PolarHBondContact O-N 3.2Å; I305-E309 WeakPolarHBondContact O-CG 3.48Å; I305-E309 PolarHBondContact O-N 2.71Å
306	Q	98.9	Very high	98.6	Very high	15 Å²	15	42.7 Å²	42.7	7%	0.07	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-38.9	179	-71.5	170.8	-49	0	0	112.1	C256 K259 L261 L302 T303 V308 E309 I310	C256-Q306 PolarHBondContact O-NE2 2.9Å; K259-Q306 PolarHBondContact O-NE2 3.17Å; L261-Q306 HydrophobicContact CD1-CB 3.77Å; L261-Q306 HydrophobicContact CD1-CG 4.12Å; L261-Q306 HydrophobicContact CG-CB 4.24Å; L261-Q306 HydrophobicContact CG-CG 4.1Å; L302-Q306 HydrophobicContact CB-CB 4.44Å; L302-Q306 HydrophobicContact CD2-CB 4.47Å; T303-Q306 WeakPolarHBondContact O-CB 3.42Å; T303-Q306 PolarHBondContact O-N 2.87Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.26Å; T303-Q306 PolarHBondContact OG1-N 2.92Å; T303-Q306 PolarHBondContact OG1-OE1 2.99Å; Q306-V308 VanDerWaalsContact C-N 3.33Å; Q306-V308 PolarHBondContact O-N 3.48Å; Q306-E309 WeakPolarHBondContact O-CB 3.42Å; Q306-E309 PolarHBondContact O-N 3.36Å; Q306-I310 WeakPolarHBondContact O-CG1 3.32Å; Q306-I310 PolarHBondContact O-N 3.35Å
307	G	98.8	Very high	98.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.5	-44.4	172.7	0	0	0	0	0	112.4	T303 P304 I310 I311	T303-G307 PolarHBondContact O-N 3.39Å; P304-G307 PolarHBondContact O-N 3.12Å; G307-I310 PolarHBondContact O-N 3.02Å; G307-I311 WeakPolarHBondContact O-CG1 3.28Å; G307-I311 PolarHBondContact O-N 3.09Å
308	V	98.8	Very high	98.6	Very high	34 Å²	34	43.4 Å²	43.4	21%	0.206	24%	0.242	C	C	.	.	H	α-helix	trans	-67.4	-38.5	175.4	171.7	0	0	0	0	112.1	P304 I305 Q306 I310 I311 R312 L344 E347	P304-V308 WeakPolarHBondContact O-CG2 3.46Å; P304-V308 PolarHBondContact O-N 2.75Å; I305-V308 PolarHBondContact O-N 3.2Å; Q306-V308 VanDerWaalsContact C-N 3.33Å; Q306-V308 PolarHBondContact O-N 3.48Å; V308-I310 VanDerWaalsContact C-N 3.3Å; V308-I310 PolarHBondContact O-N 3.03Å; V308-I311 PolarHBondContact O-N 2.87Å; V308-R312 HydrophobicContact CG1-CG 4.09Å; V308-R312 VanDerWaalsContact CG1-NE 3.34Å; V308-R312 VanDerWaalsContact O-CB 3.28Å; V308-R312 WeakPolarHBondContact O-CB 3Å; V308-R312 VanDerWaalsContact O-CG 3.29Å; V308-R312 WeakPolarHBondContact O-CG 3.35Å; V308-R312 PolarHBondContact O-N 3.2Å; V308-L344 HydrophobicContact CG2-CD2 4.19Å; V308-E347 HydrophobicContact CG1-CG 4.46Å; V308-E347 HydrophobicContact CG2-CG 4.37Å
309	E	98.8	Very high	98.6	Very high	42 Å²	42	41.1 Å²	41.1	20%	0.196	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-40.8	173.7	-72.9	-178.6	145	0	0	111.9	S260 L261 I305 Q306 G313	S260-E309 WeakPolarHBondContact CA-OE2 3.42Å; S260-E309 WeakPolarHBondContact CB-OE1 3.15Å; S260-E309 VanDerWaalsContact OG-CD 3.27Å; S260-E309 PolarHBondContact OG-OE1 2.96Å; S260-E309 PolarHBondContact OG-OE2 3.47Å; L261-E309 HydrophobicContact CB-CB 4.44Å; L261-E309 PolarHBondContact N-OE2 3.42Å; I305-E309 WeakPolarHBondContact O-CG 3.48Å; I305-E309 PolarHBondContact O-N 2.71Å; Q306-E309 WeakPolarHBondContact O-CB 3.42Å; Q306-E309 PolarHBondContact O-N 3.36Å; E309-G313 WeakPolarHBondContact O-CA 3.44Å; E309-G313 PolarHBondContact O-N 3.04Å
310	I	98.9	Very high	98.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-55.7	175.6	-67.2	162.4	0	0	0	110.4	V188 V190 I228 L261 M265 L302 Q306 G307 V308 R312 G313 C314	V188-I310 HydrophobicContact CG1-CG2 4.4Å; V190-I310 HydrophobicContact CG1-CD1 4.04Å; V190-I310 HydrophobicContact CG2-CD1 4.42Å; V190-I310 HydrophobicContact CG2-CG2 3.66Å; I228-I310 HydrophobicContact CD1-CG2 4.46Å; I228-I310 HydrophobicContact CG2-CD1 3.95Å; L261-I310 HydrophobicContact CB-CG1 4.5Å; L261-I310 HydrophobicContact CD1-CD1 3.68Å; L261-I310 HydrophobicContact CD1-CG1 3.81Å; M265-I310 HydrophobicContact CE-CG2 4.29Å; M265-I310 WeakPolarHBondContact CE-O 3.46Å; M265-I310 HydrophobicContact SD-CB 4.15Å; M265-I310 HydrophobicContact SD-CG1 4.14Å; M265-I310 HydrophobicContact SD-CG2 3.84Å; L302-I310 HydrophobicContact CD1-CD1 3.95Å; Q306-I310 WeakPolarHBondContact O-CG1 3.32Å; Q306-I310 PolarHBondContact O-N 3.35Å; G307-I310 PolarHBondContact O-N 3.02Å; V308-I310 VanDerWaalsContact C-N 3.3Å; V308-I310 PolarHBondContact O-N 3.03Å; I310-R312 PolarHBondContact O-N 3.11Å; I310-G313 WeakPolarHBondContact O-CA 3.21Å; I310-G313 PolarHBondContact O-N 2.92Å; I310-C314 PolarHBondContact O-N 2.81Å
311	I	98.9	Very high	98.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.2	-46.9	-177.4	-63.2	169.1	0	0	0	111	L279 F281 G307 V308 G313 C314 L344 E347 M348 V351	L279-I311 HydrophobicContact CD2-CG1 4.45Å; L279-I311 HydrophobicContact CD2-CG2 4.46Å; F281-I311 HydrophobicContact CD2-CD1 3.98Å; F281-I311 HydrophobicContact CD2-CG1 4.07Å; F281-I311 HydrophobicContact CE2-CD1 4.03Å; F281-I311 HydrophobicContact CE2-CG1 4.18Å; G307-I311 WeakPolarHBondContact O-CG1 3.28Å; G307-I311 PolarHBondContact O-N 3.09Å; V308-I311 PolarHBondContact O-N 2.87Å; I311-G313 PolarHBondContact O-N 3.17Å; I311-C314 VanDerWaalsContact O-CB 3.3Å; I311-C314 WeakPolarHBondContact O-CB 3.45Å; I311-C314 PolarHBondContact O-N 3.03Å; I311-L344 HydrophobicContact CD1-CB 3.88Å; I311-L344 HydrophobicContact CD1-CD2 3.58Å; I311-L344 HydrophobicContact CD1-CG 4.26Å; I311-E347 HydrophobicContact CB-CB 4.36Å; I311-E347 HydrophobicContact CD1-CB 4.41Å; I311-E347 HydrophobicContact CG2-CB 3.73Å; I311-M348 HydrophobicContact CD1-CE 4.18Å; I311-M348 HydrophobicContact CD1-CG 4.22Å; I311-M348 HydrophobicContact CG1-CG 4.48Å; I311-M348 HydrophobicContact CG2-CB 4.44Å; I311-M348 HydrophobicContact CG2-CG 3.9Å; I311-V351 HydrophobicContact CG2-CG2 4.1Å
312	R	98.8	Very high	98.7	Very high	87 Å²	87	32.7 Å²	32.7	33%	0.328	18%	0.18	S	C	.	.	H	α-helix	trans	-63.3	-31.9	176.3	-70.9	-179.6	179.2	173.6	4.3	112.3	N114 T117 V308 I310 C314 R315 E347	N114-R312 PolarHBondContact OD1-NH2 2.82Å; T117-R312 HydrophobicContact CG2-CG 4.16Å; V308-R312 HydrophobicContact CG1-CG 4.09Å; V308-R312 VanDerWaalsContact CG1-NE 3.34Å; V308-R312 VanDerWaalsContact O-CB 3.28Å; V308-R312 WeakPolarHBondContact O-CB 3Å; V308-R312 VanDerWaalsContact O-CG 3.29Å; V308-R312 WeakPolarHBondContact O-CG 3.35Å; V308-R312 PolarHBondContact O-N 3.2Å; I310-R312 PolarHBondContact O-N 3.11Å; R312-C314 PolarHBondContact O-N 2.96Å; R312-R315 VanDerWaalsContact O-CB 3.26Å; R312-R315 WeakPolarHBondContact O-CB 3.28Å; R312-R315 PolarHBondContact O-N 3.43Å; R312-R315 VanDerWaalsContact O-N 3.11Å; R312-E347 WeakPolarHBondContact CG-OE2 3.5Å; R312-E347 IonicContact CZ-OE1 3.5Å; R312-E347 IonicContact CZ-OE2 3.68Å; R312-E347 IonicContact NE-OE1 3.44Å; R312-E347 PolarHBondContact NE-OE1 2.74Å; R312-E347 IonicContact NE-OE2 2.86Å; R312-E347 PolarHBondContact NE-OE2 3.05Å; R312-E347 IonicContact NH2-OE1 3.62Å; R312-E347 PolarHBondContact NH2-OE1 3.27Å; R312-E347 IonicContact NH2-OE2 3.19Å
313	G	98.7	Very high	98.7	Very high	8 Å²	8	32.7 Å²	32.7	8%	0.082	18%	0.18	C	C	.	.	H	α-helix	trans	-61.9	-20.1	172.9	0	0	0	0	0	114	R269 E309 I310 I311 R315	R269-G313 WeakPolarHBondContact CD-O 3.48Å; R269-G313 WeakPolarHBondContact CG-O 3.24Å; R269-G313 PolarHBondContact NH1-O 3.46Å; E309-G313 WeakPolarHBondContact O-CA 3.44Å; E309-G313 PolarHBondContact O-N 3.04Å; I310-G313 WeakPolarHBondContact O-CA 3.21Å; I310-G313 PolarHBondContact O-N 2.92Å; I311-G313 PolarHBondContact O-N 3.17Å; G313-R315 VanDerWaalsContact C-N 3.27Å; G313-R315 PolarHBondContact O-N 3.38Å
314	C	98.8	Very high	98.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-6.1	174	-63.6	0	0	0	0	113.7	I310 I311 R312 G316 L317 L319 V351	I310-C314 PolarHBondContact O-N 2.81Å; I311-C314 VanDerWaalsContact O-CB 3.3Å; I311-C314 WeakPolarHBondContact O-CB 3.45Å; I311-C314 PolarHBondContact O-N 3.03Å; R312-C314 PolarHBondContact O-N 2.96Å; C314-G316 PolarHBondContact O-N 3.01Å; C314-L317 HydrophobicContact CB-CD1 4.08Å; C314-L317 VanDerWaalsContact O-CB 3.28Å; C314-L317 WeakPolarHBondContact O-CB 3.2Å; C314-L317 WeakPolarHBondContact O-CG 3.15Å; C314-L317 PolarHBondContact O-N 3.34Å; C314-L319 HydrophobicContact CB-CD1 4.22Å; C314-V351 HydrophobicContact CB-CG2 4.46Å
315	R	98.3	Very high	98.7	Very high	131 Å²	131	28.8 Å²	28.8	49%	0.494	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	128.8	176.5	-177.9	-178.1	177.8	-163.7	1.8	110.9	R269 R312 G313 V351	R269-R315 WeakPolarHBondContact CD-O 3.47Å; R312-R315 VanDerWaalsContact O-CB 3.26Å; R312-R315 WeakPolarHBondContact O-CB 3.28Å; R312-R315 PolarHBondContact O-N 3.43Å; R312-R315 VanDerWaalsContact O-N 3.11Å; G313-R315 VanDerWaalsContact C-N 3.27Å; G313-R315 PolarHBondContact O-N 3.38Å; R315-V351 HydrophobicContact CB-CB 4.44Å; R315-V351 HydrophobicContact CB-CG1 4.1Å
316	G	97.9	Very high	98.8	Very high	76 Å²	76	23 Å²	23	78%	0.784	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.7	-8.1	-179.3	0	0	0	0	0	114.1	C314	C314-G316 PolarHBondContact O-N 3.01Å
317	L	98.7	Very high	98.8	Very high	9 Å²	9	22.3 Å²	22.3	5%	0.047	12%	0.123	C	C	.	.	S	Bend	trans	-75	153.7	168.2	-61.3	-177.9	0	0	0	111.1	R269 M272 V277 C314 L319	R269-L317 HydrophobicContact CB-CD2 4.21Å; R269-L317 HydrophobicContact CG-CD1 4.4Å; R269-L317 HydrophobicContact CG-CD2 3.99Å; R269-L317 HydrophobicContact CG-CG 4.14Å; M272-L317 HydrophobicContact CB-CD1 4.2Å; M272-L317 HydrophobicContact CB-CD2 3.75Å; M272-L317 HydrophobicContact CG-CD1 4Å; M272-L317 HydrophobicContact CG-CD2 4.45Å; V277-L317 HydrophobicContact CG1-CD1 4.39Å; C314-L317 HydrophobicContact CB-CD1 4.08Å; C314-L317 VanDerWaalsContact O-CB 3.28Å; C314-L317 WeakPolarHBondContact O-CB 3.2Å; C314-L317 WeakPolarHBondContact O-CG 3.15Å; C314-L317 PolarHBondContact O-N 3.34Å; L317-L319 HydrophobicContact CB-CD2 4.44Å; L317-L319 HydrophobicContact CB-CG 4.36Å; L317-L319 PolarHBondContact O-N 3.21Å
318	N	98.7	Very high	98.8	Very high	70 Å²	70	22.4 Å²	22.4	37%	0.374	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	73.3	170.6	-177.6	23.1	0	0	0	109.9	V277 V320	V277-N318 PolarHBondContact N-O 3.43Å; N318-V320 PolarHBondContact O-N 2.84Å
319	L	98.9	Very high	98.8	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	119.7	176.6	-66.3	176.4	0	0	0	110.2	V277 L279 C314 L317 V351 L352	V277-L319 HydrophobicContact CB-CD2 4.17Å; V277-L319 HydrophobicContact CG1-CD2 4.01Å; V277-L319 WeakPolarHBondContact O-CA 3.44Å; L279-L319 HydrophobicContact CB-CD2 4.15Å; C314-L319 HydrophobicContact CB-CD1 4.22Å; L317-L319 HydrophobicContact CB-CD2 4.44Å; L317-L319 HydrophobicContact CB-CG 4.36Å; L317-L319 PolarHBondContact O-N 3.21Å; L319-V351 HydrophobicContact CD1-CG2 3.73Å; L319-L352 HydrophobicContact CB-CD2 4Å; L319-L352 HydrophobicContact CD1-CD2 4.21Å
320	V	98.9	Very high	98.8	Very high	8 Å²	8	23.5 Å²	23.5	5%	0.048	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-5	-179.7	-63	0	0	0	0	113.4	P161 V178 V185 P276 V277 N318	P161-V320 WeakPolarHBondContact CD-O 3.37Å; V178-V320 HydrophobicContact CG1-CG2 3.85Å; V185-V320 HydrophobicContact CG1-CG2 4.19Å; P276-V320 HydrophobicContact CB-CB 4.48Å; P276-V320 HydrophobicContact CB-CG1 3.63Å; P276-V320 HydrophobicContact CB-CG2 4Å; V277-V320 WeakPolarHBondContact O-CG2 3.41Å; V277-V320 PolarHBondContact O-N 3.2Å; N318-V320 PolarHBondContact O-N 2.84Å
321	G	98.9	Very high	98.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.4	156.7	173.3	0	0	0	0	0	110.7	P161 Y278 L279	P161-G321 WeakPolarHBondContact O-CA 3.2Å; Y278-G321 WeakPolarHBondContact CD2-O 3.43Å; Y278-G321 VanDerWaalsContact CE2-C 3.48Å; L279-G321 PolarHBondContact N-O 3.25Å; L279-G321 VanDerWaalsContact N-O 3.15Å
322	C	98.9	Very high	98.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	154.3	173	-40.5	0	0	0	0	111.5	P161 L162 T163 L279 M348	P161-C322 PolarHBondContact O-N 2.99Å; L162-C322 HydrophobicContact CD2-CB 4.03Å; T163-C322 PolarHBondContact N-O 2.99Å; T163-C322 PolarHBondContact OG1-O 3.27Å; L279-C322 HydrophobicContact CB-CB 4.23Å; L279-C322 CarbonylContact O-C 3.54Å; L279-C322 WeakPolarHBondContact O-CA 3.39Å; L279-C322 WeakPolarHBondContact O-CB 3.47Å; C322-M348 HydrophobicContact CB-CB 4.46Å; C322-M348 HydrophobicContact CB-CG 4.45Å; C322-M348 HydrophobicContact CB-SD 3.75Å
323	D	98.9	Very high	98.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.9	166.3	63.6	42.4	0	0	0	112.6	T163 Y278 L279 S280 F281 V325 M348	T163-D323 HydrophobicContact CG2-CB 4.23Å; T163-D323 WeakPolarHBondContact O-CA 3.49Å; Y278-D323 HydrophobicContact CE1-CB 4.49Å; Y278-D323 VanDerWaalsContact CE1-OD2 3.3Å; Y278-D323 WeakPolarHBondContact CE1-OD2 3.28Å; Y278-D323 PolarHBondContact OH-OD2 3.29Å; L279-D323 PolarHBondContact O-N 2.8Å; S280-D323 WeakPolarHBondContact CA-OD1 3.37Å; S280-D323 WeakPolarHBondContact CB-OD1 3.41Å; S280-D323 PolarHBondContact OG-OD1 3.06Å; F281-D323 PolarHBondContact N-O 3.08Å; F281-D323 VanDerWaalsContact N-O 3.09Å; F281-D323 PolarHBondContact N-OD1 2.96Å; D323-V325 HydrophobicContact CB-CG1 4.16Å; D323-M348 WeakPolarHBondContact O-CE 3.37Å
324	L	98.9	Very high	98.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	113.8	166.6	-179.9	-91.8	0	0	0	108	I103 T163 G165 F281 I283 V327 L345 M348	I103-L324 HydrophobicContact CD1-CD1 3.87Å; T163-L324 PolarHBondContact O-N 2.83Å; G165-L324 WeakPolarHBondContact CA-O 3.44Å; G165-L324 PolarHBondContact N-O 2.73Å; F281-L324 HydrophobicContact CB-CD2 4.34Å; F281-L324 HydrophobicContact CD1-CD2 3.89Å; F281-L324 HydrophobicContact CG-CD2 4.48Å; F281-L324 VanDerWaalsContact O-CA 3.31Å; F281-L324 WeakPolarHBondContact O-CA 3.39Å; F281-L324 WeakPolarHBondContact O-CD2 3.45Å; I283-L324 HydrophobicContact CB-CD2 4.19Å; I283-L324 HydrophobicContact CD1-CD2 4.11Å; L324-V327 HydrophobicContact CD1-CG2 3.64Å; L324-L345 HydrophobicContact CB-CD1 4.29Å; L324-L345 HydrophobicContact CB-CD2 3.94Å; L324-L345 HydrophobicContact CB-CG 3.89Å; L324-L345 HydrophobicContact CD1-CD1 4.42Å; L324-L345 HydrophobicContact CG-CG 4.42Å; L324-M348 HydrophobicContact CB-CE 4.42Å
325	V	98.9	Very high	98.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	176.1	-167.9	-58.1	0	0	0	0	113	H168 I170 F281 D282 I283 D323 V327	H168-V325 HydrophobicContact CB-CG2 4.17Å; I170-V325 HydrophobicContact CD1-CG1 3.96Å; I170-V325 HydrophobicContact CG1-CG1 4.14Å; F281-V325 PolarHBondContact O-N 3.3Å; D282-V325 HydrophobicContact CB-CG2 4.01Å; D282-V325 WeakPolarHBondContact OD2-CG2 3.38Å; I283-V325 PolarHBondContact N-O 3.11Å; D323-V325 HydrophobicContact CB-CG1 4.16Å; V325-V327 PolarHBondContact O-N 3.44Å
326	E	98.9	Very high	98.5	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	20%	0.202	C	C	.	.			trans	61	11.1	172.7	-64.7	-62.3	166.3	0	0	117.6	G166 D167 H168 H207 D282 I283 T294 S328	G166-E326 PolarHBondContact O-N 2.59Å; D167-E326 WeakPolarHBondContact CA-OE1 3.27Å; D167-E326 WeakPolarHBondContact CB-OE1 3.23Å; H168-E326 PolarHBondContact N-OE1 3Å; H207-E326 IonicContact ND1-OE1 3.8Å; D282-E326 WeakPolarHBondContact OD1-CB 3.34Å; D282-E326 WeakPolarHBondContact OD2-CG 3.18Å; I283-E326 HydrophobicContact CG2-CB 4.19Å; T294-E326 WeakPolarHBondContact CA-O 3.2Å; T294-E326 PolarHBondContact OG1-O 2.83Å; E326-S328 PolarHBondContact O-N 2.76Å
327	V	98.9	Very high	98.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	16%	0.164	C	C	.	.			trans	-65	111.7	168.2	178.2	0	0	0	0	109.3	A96 G99 I103 I283 L324 V325 P329 T337 A338	A96-V327 WeakPolarHBondContact CA-O 3.36Å; G99-V327 WeakPolarHBondContact CA-O 3.41Å; I103-V327 HydrophobicContact CD1-CB 4.06Å; I103-V327 HydrophobicContact CD1-CG1 4.33Å; I103-V327 HydrophobicContact CD1-CG2 3.94Å; I103-V327 HydrophobicContact CG1-CB 4.42Å; I103-V327 HydrophobicContact CG1-CG1 4.14Å; I103-V327 HydrophobicContact CG1-CG2 4.37Å; I283-V327 HydrophobicContact CB-CG2 4.1Å; I283-V327 HydrophobicContact CG1-CG2 4.15Å; I283-V327 HydrophobicContact CG2-CG2 4.11Å; L324-V327 HydrophobicContact CD1-CG2 3.64Å; V325-V327 PolarHBondContact O-N 3.44Å; V327-P329 WeakPolarHBondContact O-CD 3.46Å; V327-T337 HydrophobicContact CG1-CG2 4.45Å; V327-T337 HydrophobicContact CG2-CG2 4.48Å; V327-A338 HydrophobicContact CG1-CB 4.14Å
328	S	98.8	Very high	98.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.007	16%	0.162	C	C	.	.			trans	-115.8	92.6	-176.6	-169.6	0	0	0	0	111.3	G95 G293 E326 Y331	G95-S328 VanDerWaalsContact CA-OG 3.29Å; G95-S328 WeakPolarHBondContact CA-OG 3.14Å; G293-S328 PolarHBondContact O-N 3.48Å; E326-S328 PolarHBondContact O-N 2.76Å; S328-Y331 PolarHBondContact O-N 2.91Å; S328-Y331 VanDerWaalsContact O-N 3.08Å
329	P	98.8	Very high	98.5	Very high	24 Å²	24	27.4 Å²	27.4	16%	0.156	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-54.5	-33.4	-176.5	-28.9	36.8	0	0	0	116.8	F98 Q102 V327 Y331 D332	F98-P329 HydrophobicContact CB-CB 4.35Å; F98-P329 HydrophobicContact CB-CG 3.81Å; Q102-P329 HydrophobicContact CB-CB 4.19Å; Q102-P329 HydrophobicContact CB-CG 3.59Å; Q102-P329 HydrophobicContact CG-CB 4.36Å; Q102-P329 HydrophobicContact CG-CG 4.2Å; V327-P329 WeakPolarHBondContact O-CD 3.46Å; P329-Y331 PolarHBondContact O-N 3.46Å; P329-D332 PolarHBondContact O-N 3.42Å
330	P	98.7	Very high	98.5	Very high	75 Å²	75	28.8 Å²	28.8	49%	0.487	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-57.9	-21	176.8	-26.8	36.5	0	0	0	114.4	F98	F98-P330 HydrophobicContact CD2-CG 4.45Å
331	Y	98.6	Very high	98.5	Very high	93 Å²	93	28.4 Å²	28.4	37%	0.365	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-106.1	7.4	178.1	-58.2	-84.4	0	0	0	112.8	R93 P94 S328 P329	R93-Y331 HydrophobicContact CB-CE2 3.77Å; R93-Y331 HydrophobicContact CG-CE1 4.32Å; R93-Y331 HydrophobicContact CG-CE2 4.38Å; P94-Y331 WeakPolarHBondContact O-CE2 3.36Å; S328-Y331 PolarHBondContact O-N 2.91Å; S328-Y331 VanDerWaalsContact O-N 3.08Å; P329-Y331 PolarHBondContact O-N 3.46Å
332	D	98.1	Very high	98.5	Very high	10 Å²	10	28.4 Å²	28.4	5%	0.053	16%	0.161	C	C	.	.			trans	-119.4	68.6	-179.9	-171.3	18.5	0	0	0	111.3	P329 T334 G335 N336 T337 A338	P329-D332 PolarHBondContact O-N 3.42Å; D332-T334 PolarHBondContact O-N 2.92Å; D332-G335 PolarHBondContact O-N 3.47Å; D332-G335 VanDerWaalsContact O-N 3.08Å; D332-G335 PolarHBondContact OD1-N 3.36Å; D332-G335 WeakPolarHBondContact OD2-CA 3.34Å; D332-N336 PolarHBondContact OD1-N 3.47Å; D332-N336 PolarHBondContact OD2-N 2.96Å; D332-T337 VanDerWaalsContact CG-N 3.32Å; D332-T337 PolarHBondContact OD1-N 2.89Å; D332-T337 PolarHBondContact OD1-OG1 3.26Å; D332-T337 WeakPolarHBondContact OD2-CA 3.46Å; D332-T337 VanDerWaalsContact OD2-CB 3.23Å; D332-T337 WeakPolarHBondContact OD2-CB 3.44Å; D332-T337 PolarHBondContact OD2-N 3.13Å; D332-A338 PolarHBondContact OD2-N 3.2Å
333	T	95.3	Very high	98.5	Very high	139 Å²	139	32 Å²	32	85%	0.853	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-17.2	-172.4	57.9	0	0	0	0	114.8
334	T	97.8	Very high	98.5	Very high	90 Å²	90	32.2 Å²	32.2	55%	0.552	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-10	-178.3	58.5	0	0	0	0	113.8	D332 N336	D332-T334 PolarHBondContact O-N 2.92Å; T334-N336 VanDerWaalsContact C-N 3.27Å; T334-N336 VanDerWaalsContact OG1-CG 3.31Å; T334-N336 PolarHBondContact OG1-ND2 3.42Å
335	G	98.1	Very high	98.5	Very high	3 Å²	3	32.2 Å²	32.2	3%	0.031	18%	0.182	C	C	.	.	S	Bend	trans	77	7.1	-172.9	0	0	0	0	0	114.6	D332 T337 A338 L339	D332-G335 PolarHBondContact O-N 3.47Å; D332-G335 VanDerWaalsContact O-N 3.08Å; D332-G335 PolarHBondContact OD1-N 3.36Å; D332-G335 WeakPolarHBondContact OD2-CA 3.34Å; G335-T337 VanDerWaalsContact C-N 3.34Å; G335-T337 PolarHBondContact O-N 3.15Å; G335-A338 PolarHBondContact O-N 2.9Å; G335-L339 WeakPolarHBondContact O-CB 3.38Å; G335-L339 PolarHBondContact O-N 3.33Å
336	N	98.4	Very high	98.5	Very high	86 Å²	86	32.9 Å²	32.9	46%	0.46	18%	0.184	S	C	.	.	H	α-helix	trans	-66.4	-34.1	-175.8	-82.8	-28.8	0	0	0	113	D332 T334 T340	D332-N336 PolarHBondContact OD1-N 3.47Å; D332-N336 PolarHBondContact OD2-N 2.96Å; T334-N336 VanDerWaalsContact C-N 3.27Å; T334-N336 VanDerWaalsContact OG1-CG 3.31Å; T334-N336 PolarHBondContact OG1-ND2 3.42Å; N336-T340 WeakPolarHBondContact O-CB 3.19Å; N336-T340 PolarHBondContact O-N 2.84Å; N336-T340 PolarHBondContact O-OG1 2.89Å
337	T	98.9	Very high	98.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-70	-45.1	177.5	-49.4	0	0	0	0	109.9	I283 A291 P292 G293 V327 D332 G335 L339 T340 G341	I283-T337 HydrophobicContact CG1-CG2 3.66Å; I283-T337 HydrophobicContact CG2-CG2 4.3Å; A291-T337 HydrophobicContact CB-CG2 3.96Å; P292-T337 VanDerWaalsContact CD-OG1 3.27Å; P292-T337 WeakPolarHBondContact CD-OG1 3.46Å; G293-T337 PolarHBondContact N-OG1 3.45Å; V327-T337 HydrophobicContact CG1-CG2 4.45Å; V327-T337 HydrophobicContact CG2-CG2 4.48Å; D332-T337 VanDerWaalsContact CG-N 3.32Å; D332-T337 PolarHBondContact OD1-N 2.89Å; D332-T337 PolarHBondContact OD1-OG1 3.26Å; D332-T337 WeakPolarHBondContact OD2-CA 3.46Å; D332-T337 VanDerWaalsContact OD2-CB 3.23Å; D332-T337 WeakPolarHBondContact OD2-CB 3.44Å; D332-T337 PolarHBondContact OD2-N 3.13Å; G335-T337 VanDerWaalsContact C-N 3.34Å; G335-T337 PolarHBondContact O-N 3.15Å; T337-L339 PolarHBondContact O-N 3.09Å; T337-T340 WeakPolarHBondContact O-CB 2.94Å; T337-T340 PolarHBondContact O-N 2.87Å; T337-G341 PolarHBondContact O-N 2.91Å
338	A	98.8	Very high	98.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.6	-38	175.7	0	0	0	0	0	112.9	Q102 I103 E106 V327 D332 G335 T340 G341 A342	Q102-A338 HydrophobicContact CB-CB 3.94Å; Q102-A338 HydrophobicContact CG-CB 3.39Å; I103-A338 HydrophobicContact CG1-CB 4.32Å; E106-A338 HydrophobicContact CB-CB 4.45Å; E106-A338 HydrophobicContact CG-CB 3.85Å; V327-A338 HydrophobicContact CG1-CB 4.14Å; D332-A338 PolarHBondContact OD2-N 3.2Å; G335-A338 PolarHBondContact O-N 2.9Å; A338-T340 VanDerWaalsContact C-N 3.33Å; A338-G341 PolarHBondContact O-N 3.37Å; A338-A342 PolarHBondContact O-N 2.99Å
339	L	98.8	Very high	98.5	Very high	43 Å²	43	33.6 Å²	33.6	23%	0.225	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-42.5	171.8	178	60.7	0	0	0	111.5	E106 L109 G335 T337 A342 N343	E106-L339 HydrophobicContact CB-CB 4.14Å; E106-L339 HydrophobicContact CB-CD1 4.39Å; E106-L339 HydrophobicContact CG-CB 4.43Å; L109-L339 HydrophobicContact CB-CD1 4.39Å; L109-L339 HydrophobicContact CD1-CD1 3.79Å; L109-L339 HydrophobicContact CD1-CD2 4.39Å; G335-L339 WeakPolarHBondContact O-CB 3.38Å; G335-L339 PolarHBondContact O-N 3.33Å; T337-L339 PolarHBondContact O-N 3.09Å; L339-A342 PolarHBondContact O-N 2.56Å; L339-N343 WeakPolarHBondContact CD1-ND2 3.49Å; L339-N343 PolarHBondContact O-N 2.99Å; L339-N343 VanDerWaalsContact O-N 3.11Å; L339-N343 PolarHBondContact O-ND2 3.07Å
340	T	98.8	Very high	98.5	Very high	30 Å²	30	32.5 Å²	32.5	18%	0.184	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-49.4	175.3	-60.1	0	0	0	0	110.4	I283 L286 N336 T337 A338 A342 N343 L344	I283-T340 HydrophobicContact CD1-CG2 4.07Å; L286-T340 HydrophobicContact CD1-CG2 3.68Å; N336-T340 WeakPolarHBondContact O-CB 3.19Å; N336-T340 PolarHBondContact O-N 2.84Å; N336-T340 PolarHBondContact O-OG1 2.89Å; T337-T340 WeakPolarHBondContact O-CB 2.94Å; T337-T340 PolarHBondContact O-N 2.87Å; A338-T340 VanDerWaalsContact C-N 3.33Å; T340-A342 VanDerWaalsContact C-N 3.34Å; T340-A342 PolarHBondContact O-N 2.95Å; T340-N343 PolarHBondContact O-N 2.96Å; T340-N343 VanDerWaalsContact O-N 3.1Å; T340-L344 HydrophobicContact CG2-CD1 4.06Å; T340-L344 HydrophobicContact CG2-CG 4.35Å; T340-L344 WeakPolarHBondContact O-CG 3.4Å; T340-L344 PolarHBondContact O-N 2.74Å
341	G	98.9	Very high	98.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-55.1	-44.3	175	0	0	0	0	0	113.4	T337 A338 N343 L344 L345	T337-G341 PolarHBondContact O-N 2.91Å; A338-G341 PolarHBondContact O-N 3.37Å; G341-N343 VanDerWaalsContact C-N 3.34Å; G341-N343 PolarHBondContact O-N 3.3Å; G341-L344 PolarHBondContact O-N 3.03Å; G341-L345 WeakPolarHBondContact O-CB 3.3Å; G341-L345 WeakPolarHBondContact O-CG 3.34Å; G341-L345 PolarHBondContact O-N 2.82Å
342	A	98.9	Very high	98.5	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.1	-39.9	176.6	0	0	0	0	0	112.8	I103 L110 A338 L339 T340 F346	I103-A342 HydrophobicContact CG2-CB 3.96Å; L110-A342 HydrophobicContact CD1-CB 4.46Å; A338-A342 PolarHBondContact O-N 2.99Å; L339-A342 PolarHBondContact O-N 2.56Å; T340-A342 VanDerWaalsContact C-N 3.34Å; T340-A342 PolarHBondContact O-N 2.95Å; A342-F346 PolarHBondContact O-N 3.37Å; A342-F346 VanDerWaalsContact O-N 3.17Å
343	N	98.9	Very high	98.6	Very high	76 Å²	76	26.5 Å²	26.5	41%	0.406	15%	0.153	S	C	.	.	H	α-helix	trans	-71.9	-38.4	177.8	-78.6	-88.8	0	0	0	112.2	L339 T340 G341 F346 E347	L339-N343 WeakPolarHBondContact CD1-ND2 3.49Å; L339-N343 PolarHBondContact O-N 2.99Å; L339-N343 VanDerWaalsContact O-N 3.11Å; L339-N343 PolarHBondContact O-ND2 3.07Å; T340-N343 PolarHBondContact O-N 2.96Å; T340-N343 VanDerWaalsContact O-N 3.1Å; G341-N343 VanDerWaalsContact C-N 3.34Å; G341-N343 PolarHBondContact O-N 3.3Å; N343-F346 WeakPolarHBondContact O-CB 3.23Å; N343-F346 PolarHBondContact O-N 3.37Å; N343-E347 PolarHBondContact O-N 3.27Å
344	L	98.9	Very high	98.6	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-64.7	-42.4	175.5	-65.2	174.8	0	0	0	111.4	F281 I283 L286 V308 I311 T340 G341 F346 E347 M348	F281-L344 HydrophobicContact CD1-CD1 4.1Å; F281-L344 HydrophobicContact CE1-CD1 3.67Å; F281-L344 HydrophobicContact CE2-CD1 4.5Å; F281-L344 HydrophobicContact CZ-CD1 3.9Å; I283-L344 HydrophobicContact CD1-CD1 3.9Å; L286-L344 HydrophobicContact CD1-CD1 4.33Å; V308-L344 HydrophobicContact CG2-CD2 4.19Å; I311-L344 HydrophobicContact CD1-CB 3.88Å; I311-L344 HydrophobicContact CD1-CD2 3.58Å; I311-L344 HydrophobicContact CD1-CG 4.26Å; T340-L344 HydrophobicContact CG2-CD1 4.06Å; T340-L344 HydrophobicContact CG2-CG 4.35Å; T340-L344 WeakPolarHBondContact O-CG 3.4Å; T340-L344 PolarHBondContact O-N 2.74Å; G341-L344 PolarHBondContact O-N 3.03Å; L344-F346 VanDerWaalsContact C-N 3.27Å; L344-F346 PolarHBondContact O-N 3.4Å; L344-E347 WeakPolarHBondContact O-CB 3.21Å; L344-E347 PolarHBondContact O-N 3.16Å; L344-E347 VanDerWaalsContact O-N 3.1Å; L344-M348 WeakPolarHBondContact O-CG 3.05Å; L344-M348 PolarHBondContact O-N 3.12Å
345	L	98.9	Very high	98.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.3	-35.4	173.2	-78.5	161.2	0	0	0	112.8	M65 F81 I103 L164 L324 G341 M348 L349	M65-L345 HydrophobicContact CE-CB 3.73Å; M65-L345 HydrophobicContact CE-CD1 3.97Å; F81-L345 HydrophobicContact CE1-CB 4.26Å; I103-L345 HydrophobicContact CG2-CD1 3.82Å; L164-L345 HydrophobicContact CD2-CD1 4.09Å; L164-L345 HydrophobicContact CG-CD1 3.73Å; L324-L345 HydrophobicContact CB-CD1 4.29Å; L324-L345 HydrophobicContact CB-CD2 3.94Å; L324-L345 HydrophobicContact CB-CG 3.89Å; L324-L345 HydrophobicContact CD1-CD1 4.42Å; L324-L345 HydrophobicContact CG-CG 4.42Å; G341-L345 WeakPolarHBondContact O-CB 3.3Å; G341-L345 WeakPolarHBondContact O-CG 3.34Å; G341-L345 PolarHBondContact O-N 2.82Å; L345-M348 HydrophobicContact CD2-SD 4.22Å; L345-M348 PolarHBondContact O-N 3.25Å; L345-L349 PolarHBondContact O-N 3.29Å
346	F	98.9	Very high	98.6	Very high	13 Å²	13	28.4 Å²	28.4	6%	0.057	14%	0.142	C	C	.	.	H	α-helix	trans	-68.3	-39.9	172.8	178	-104.8	0	0	0	112.5	L110 R111 N114 P121 Y122 A342 N343 L344 M348 L349 C350	L110-F346 HydrophobicContact CD1-CB 4.1Å; L110-F346 HydrophobicContact CD2-CB 3.86Å; L110-F346 HydrophobicContact CD2-CG 4.2Å; R111-F346 WeakPolarHBondContact O-CE2 3.33Å; N114-F346 HydrophobicContact CB-CE1 4.04Å; N114-F346 HydrophobicContact CB-CZ 4.43Å; P121-F346 HydrophobicContact CG-CE2 4.1Å; Y122-F346 AromaticContact CE2-CE2 3.87Å; Y122-F346 HydrophobicContact CE2-CE2 3.87Å; A342-F346 PolarHBondContact O-N 3.37Å; A342-F346 VanDerWaalsContact O-N 3.17Å; N343-F346 WeakPolarHBondContact O-CB 3.23Å; N343-F346 PolarHBondContact O-N 3.37Å; L344-F346 VanDerWaalsContact C-N 3.27Å; L344-F346 PolarHBondContact O-N 3.4Å; F346-M348 VanDerWaalsContact C-N 3.33Å; F346-L349 PolarHBondContact O-N 2.78Å; F346-C350 PolarHBondContact O-N 3.02Å; F346-C350 PolarHBondContact O-SG 2.95Å
347	E	98.9	Very high	98.5	Very high	19 Å²	19	26.9 Å²	26.9	9%	0.089	13%	0.13	C	C	.	.	H	α-helix	trans	-62.9	-40.1	172.9	-69.6	-73.4	166.6	0	0	111.3	N114 V308 I311 R312 N343 L344 C350 V351	N114-E347 PolarHBondContact ND2-OE1 3.04Å; N114-E347 PolarHBondContact ND2-OE2 3.08Å; V308-E347 HydrophobicContact CG1-CG 4.46Å; V308-E347 HydrophobicContact CG2-CG 4.37Å; I311-E347 HydrophobicContact CB-CB 4.36Å; I311-E347 HydrophobicContact CD1-CB 4.41Å; I311-E347 HydrophobicContact CG2-CB 3.73Å; R312-E347 WeakPolarHBondContact CG-OE2 3.5Å; R312-E347 IonicContact CZ-OE1 3.5Å; R312-E347 IonicContact CZ-OE2 3.68Å; R312-E347 IonicContact NE-OE1 3.44Å; R312-E347 PolarHBondContact NE-OE1 2.74Å; R312-E347 IonicContact NE-OE2 2.86Å; R312-E347 PolarHBondContact NE-OE2 3.05Å; R312-E347 IonicContact NH2-OE1 3.62Å; R312-E347 PolarHBondContact NH2-OE1 3.27Å; R312-E347 IonicContact NH2-OE2 3.19Å; N343-E347 PolarHBondContact O-N 3.27Å; L344-E347 WeakPolarHBondContact O-CB 3.21Å; L344-E347 PolarHBondContact O-N 3.16Å; L344-E347 VanDerWaalsContact O-N 3.1Å; E347-C350 WeakPolarHBondContact O-CB 3.49Å; E347-C350 PolarHBondContact O-N 3.12Å; E347-C350 VanDerWaalsContact O-N 3.16Å; E347-V351 PolarHBondContact O-N 3.05Å
348	M	98.9	Very high	98.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.9	-46.2	174.1	-68	175.1	-178.4	0	0	111.7	L162 L279 F281 I311 C322 D323 L324 L344 L345 F346 C350 V351 L352	L162-M348 HydrophobicContact CD2-CB 3.96Å; L279-M348 HydrophobicContact CD2-CE 4.25Å; L279-M348 HydrophobicContact CD2-CG 3.9Å; L279-M348 HydrophobicContact CD2-SD 4.47Å; L279-M348 HydrophobicContact CG-CE 4.37Å; F281-M348 HydrophobicContact CB-CE 3.37Å; F281-M348 HydrophobicContact CD2-CE 4.26Å; F281-M348 HydrophobicContact CG-CE 4.05Å; I311-M348 HydrophobicContact CD1-CE 4.18Å; I311-M348 HydrophobicContact CD1-CG 4.22Å; I311-M348 HydrophobicContact CG1-CG 4.48Å; I311-M348 HydrophobicContact CG2-CB 4.44Å; I311-M348 HydrophobicContact CG2-CG 3.9Å; C322-M348 HydrophobicContact CB-CB 4.46Å; C322-M348 HydrophobicContact CB-CG 4.45Å; C322-M348 HydrophobicContact CB-SD 3.75Å; D323-M348 WeakPolarHBondContact O-CE 3.37Å; L324-M348 HydrophobicContact CB-CE 4.42Å; L344-M348 WeakPolarHBondContact O-CG 3.05Å; L344-M348 PolarHBondContact O-N 3.12Å; L345-M348 HydrophobicContact CD2-SD 4.22Å; L345-M348 PolarHBondContact O-N 3.25Å; F346-M348 VanDerWaalsContact C-N 3.33Å; M348-C350 PolarHBondContact O-N 2.77Å; M348-V351 VanDerWaalsContact O-CG2 3.23Å; M348-V351 WeakPolarHBondContact O-CG2 3.38Å; M348-V351 PolarHBondContact O-N 3.18Å; M348-L352 PolarHBondContact O-N 3.08Å
349	L	98.9	Very high	98.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-56.7	-40.5	174.2	173.3	62.2	0	0	0	111.6	F81 P121 Y122 L125 V127 L162 L345 F346 V351 L352 V355	F81-L349 HydrophobicContact CE2-CD2 4.27Å; F81-L349 HydrophobicContact CZ-CB 4.4Å; F81-L349 HydrophobicContact CZ-CD2 4.03Å; P121-L349 HydrophobicContact CB-CD1 4.22Å; P121-L349 HydrophobicContact CB-CD2 3.98Å; P121-L349 HydrophobicContact CB-CG 3.73Å; P121-L349 HydrophobicContact CG-CD2 4Å; P121-L349 HydrophobicContact CG-CG 4.09Å; Y122-L349 HydrophobicContact CE1-CD2 3.61Å; L125-L349 HydrophobicContact CD1-CD1 4.15Å; V127-L349 HydrophobicContact CG1-CD1 4.44Å; V127-L349 HydrophobicContact CG2-CD1 4.01Å; L162-L349 HydrophobicContact CD1-CB 3.91Å; L162-L349 HydrophobicContact CD1-CD1 3.78Å; L162-L349 HydrophobicContact CD1-CG 4.37Å; L345-L349 PolarHBondContact O-N 3.29Å; F346-L349 PolarHBondContact O-N 2.78Å; L349-V351 VanDerWaalsContact C-N 3.28Å; L349-V351 PolarHBondContact O-N 3.01Å; L349-L352 HydrophobicContact CD1-CD1 4.08Å; L349-L352 PolarHBondContact O-N 2.94Å; L349-V355 WeakPolarHBondContact O-CG2 3.47Å
350	C	98.8	Very high	98.2	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.007	16%	0.16	C	C	.	.	H	α-helix	trans	-66.9	-26.9	-178.1	-70.7	0	0	0	0	113.5	A119 F346 E347 M348 V355 Y357	A119-C350 HydrophobicContact CB-CB 3.85Å; F346-C350 PolarHBondContact O-N 3.02Å; F346-C350 PolarHBondContact O-SG 2.95Å; E347-C350 WeakPolarHBondContact O-CB 3.49Å; E347-C350 PolarHBondContact O-N 3.12Å; E347-C350 VanDerWaalsContact O-N 3.16Å; M348-C350 PolarHBondContact O-N 2.77Å; C350-V355 WeakPolarHBondContact O-CB 3.25Å; C350-V355 WeakPolarHBondContact O-CG1 3.29Å; C350-Y357 PolarHBondContact O-OH 3.43Å
351	V	98.8	Very high	98.2	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.042	16%	0.158	C	C	.	.	H	α-helix	trans	-94.9	0.5	-178.7	-63.3	0	0	0	0	114.2	I311 C314 R315 L319 E347 M348 L349	I311-V351 HydrophobicContact CG2-CG2 4.1Å; C314-V351 HydrophobicContact CB-CG2 4.46Å; R315-V351 HydrophobicContact CB-CB 4.44Å; R315-V351 HydrophobicContact CB-CG1 4.1Å; L319-V351 HydrophobicContact CD1-CG2 3.73Å; E347-V351 PolarHBondContact O-N 3.05Å; M348-V351 VanDerWaalsContact O-CG2 3.23Å; M348-V351 WeakPolarHBondContact O-CG2 3.38Å; M348-V351 PolarHBondContact O-N 3.18Å; L349-V351 VanDerWaalsContact C-N 3.28Å; L349-V351 PolarHBondContact O-N 3.01Å
352	L	98.8	Very high	98.2	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.026	17%	0.168	C	C	.	.	S	Bend	trans	-60.2	154.8	174.9	-66.9	-169.2	0	0	0	112.4	A79 L125 I160 L162 L319 M348 L349 V355	A79-L352 HydrophobicContact CB-CD1 3.72Å; L125-L352 HydrophobicContact CD1-CB 4.24Å; L125-L352 HydrophobicContact CD1-CD1 4.43Å; I160-L352 HydrophobicContact CB-CD1 4.35Å; I160-L352 HydrophobicContact CG2-CD1 4.04Å; I160-L352 HydrophobicContact CG2-CD2 3.95Å; L162-L352 HydrophobicContact CD1-CD1 4.13Å; L162-L352 HydrophobicContact CD2-CD1 4.4Å; L162-L352 HydrophobicContact CG-CD1 4.41Å; L319-L352 HydrophobicContact CB-CD2 4Å; L319-L352 HydrophobicContact CD1-CD2 4.21Å; M348-L352 PolarHBondContact O-N 3.08Å; L349-L352 HydrophobicContact CD1-CD1 4.08Å; L349-L352 PolarHBondContact O-N 2.94Å; L352-V355 HydrophobicContact CB-CG2 4.23Å; L352-V355 VanDerWaalsContact O-CG2 3.3Å; L352-V355 WeakPolarHBondContact O-CG2 3.4Å; L352-V355 PolarHBondContact O-N 3.04Å
353	P	98.2	Very high	98.1	Very high	41 Å²	41	38.9 Å²	38.9	27%	0.266	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	147.9	172.5	-25.8	35	0	0	0	112.3	V355	P353-V355 PolarHBondContact O-N 3.33Å
354	K	96.9	Very high	98.1	Very high	166 Å²	166	36.5 Å²	36.5	72%	0.722	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.1	2.8	178.1	-47.3	169.7	-176.8	169.4	0	116.2	S124 L125 K356	S124-K354 WeakPolarHBondContact CB-O 3.19Å; L125-K354 HydrophobicContact CD2-CB 4.09Å; K354-K356 PolarHBondContact O-N 2.96Å
355	V	98.2	Very high	98	Very high	15 Å²	15	38.8 Å²	38.8	9%	0.091	17%	0.173	C	C	.	.			trans	-62	133.8	173.2	173.8	0	0	0	0	110.9	A119 P121 S124 L125 L349 C350 L352 P353 Y357	A119-V355 HydrophobicContact CB-CG1 4.06Å; P121-V355 HydrophobicContact CB-CG1 4.37Å; P121-V355 HydrophobicContact CB-CG2 4.34Å; S124-V355 WeakPolarHBondContact OG-CA 3.06Å; L125-V355 HydrophobicContact CD1-CG2 3.59Å; L125-V355 HydrophobicContact CG-CG2 4.23Å; L349-V355 WeakPolarHBondContact O-CG2 3.47Å; C350-V355 WeakPolarHBondContact O-CB 3.25Å; C350-V355 WeakPolarHBondContact O-CG1 3.29Å; L352-V355 HydrophobicContact CB-CG2 4.23Å; L352-V355 VanDerWaalsContact O-CG2 3.3Å; L352-V355 WeakPolarHBondContact O-CG2 3.4Å; L352-V355 PolarHBondContact O-N 3.04Å; P353-V355 PolarHBondContact O-N 3.33Å; V355-Y357 HydrophobicContact CB-CE2 3.93Å; V355-Y357 HydrophobicContact CG1-CD2 4.34Å; V355-Y357 HydrophobicContact CG1-CE2 3.81Å; V355-Y357 WeakPolarHBondContact O-CD2 3.36Å; V355-Y357 VanDerWaalsContact O-CE2 3.28Å; V355-Y357 WeakPolarHBondContact O-CE2 3.3Å
356	K	96.8	Very high	98	Very high	90 Å²	90	41.8 Å²	41.8	39%	0.391	19%	0.186	S	C	.	.			trans	-77.8	141.2	173.6	-173.1	-179.7	-174.8	-174.4	0	111.4	A119 A120 E123 S124 K354 Y358	A119-K356 WeakPolarHBondContact CA-O 3.46Å; A120-K356 PolarHBondContact N-O 3.06Å; E123-K356 IonicContact OE2-NZ 3.89Å; S124-K356 PolarHBondContact OG-N 3.21Å; K354-K356 PolarHBondContact O-N 2.96Å; K356-Y358 HydrophobicContact CD-CE2 4.22Å; K356-Y358 VanDerWaalsContact CE-CZ 3.45Å; K356-Y358 WeakPolarHBondContact CE-OH 3.35Å; K356-Y358 PolarHBondContact NZ-OH 2.93Å
357	Y	96.8	Very high	97.9	Very high	54 Å²	54	44.2 Å²	44.2	21%	0.212	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-128.5	150.6	175.2	-64.8	-102.9	0	0	0	109.4	R118 A119 C350 V355	R118-Y357 WeakPolarHBondContact O-CA 3.46Å; A119-Y357 HydrophobicContact CB-CD1 3.86Å; A119-Y357 HydrophobicContact CB-CE1 3.63Å; C350-Y357 PolarHBondContact O-OH 3.43Å; V355-Y357 HydrophobicContact CB-CE2 3.93Å; V355-Y357 HydrophobicContact CG1-CD2 4.34Å; V355-Y357 HydrophobicContact CG1-CE2 3.81Å; V355-Y357 WeakPolarHBondContact O-CD2 3.36Å; V355-Y357 VanDerWaalsContact O-CE2 3.28Å; V355-Y357 WeakPolarHBondContact O-CE2 3.3Å
358	Y	94.6	Very high	97.8	Very high	132 Å²	132	46.5 Å²	46.5	52%	0.518	21%	0.207	S	C	.	.			trans	-116.2	0	-177.4	-73.8	-78.8	0	0	0	114.9	Y113 R118 A120 E123 K356	Y113-Y358 HydrophobicContact CE1-CE2 4.32Å; R118-Y358 WeakPolarHBondContact CB-O 3.49Å; R118-Y358 VanDerWaalsContact CD-O 3.29Å; R118-Y358 WeakPolarHBondContact CD-O 3.44Å; R118-Y358 VanDerWaalsContact CZ-O 3.25Å; R118-Y358 VanDerWaalsContact CZ-OXT 3.28Å; R118-Y358 PolarHBondContact NE-O 2.63Å; R118-Y358 PolarHBondContact NH1-O 2.68Å; R118-Y358 PolarHBondContact NH1-OXT 3.04Å; R118-Y358 PolarHBondContact O-N 2.99Å; R118-Y358 VanDerWaalsContact O-N 3.15Å; A120-Y358 HydrophobicContact CB-CD2 4.11Å; A120-Y358 HydrophobicContact CB-CE2 3.66Å; E123-Y358 VanDerWaalsContact OE2-CE2 3.31Å; E123-Y358 WeakPolarHBondContact OE2-CE2 3.35Å; E123-Y358 VanDerWaalsContact OE2-CZ 3.3Å; E123-Y358 PolarHBondContact OE2-OH 3.4Å; K356-Y358 HydrophobicContact CD-CE2 4.22Å; K356-Y358 VanDerWaalsContact CE-CZ 3.45Å; K356-Y358 WeakPolarHBondContact CE-OH 3.35Å; K356-Y358 PolarHBondContact NZ-OH 2.93Å

Retrieved 358 of 358 residues in 64.4 ms (Link to these results)

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