A0A087XTA7_POEFO Loading...

Amine oxidase

AlphaFold DB , UniProt , Accession A0A087XTA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 566 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	39.6	Very low	28.2	Very low	256 Å²	256	140.9 Å²	140.9	100%	1.261	84%	0.84	S	S	*	*				0	108.8	0	-73.3	-179	-176	0	0	107.3
2	C	28.3	Very low	27.9	Very low	133 Å²	133	143.1 Å²	143.1	90%	0.899	83%	0.831	S	S	*	*			trans	-144.5	136.8	-167.8	-168.9	0	0	0	0	107.5
3	G	26.6	Very low	27.8	Very low	67 Å²	67	142.1 Å²	142.1	69%	0.691	82%	0.82	S	S	*	*			trans	174.8	103.7	170.9	0	0	0	0	0	108.3
4	R	30.7	Very low	27.7	Very low	231 Å²	231	139.8 Å²	139.8	87%	0.872	81%	0.81	S	S	*	*				52	114.9	67.4	-78.3	-169	-178.6	-169.3	1	111.1
5	S	28.7	Very low	27.6	Very low	98 Å²	98	142.2 Å²	142.2	69%	0.685	82%	0.819	S	S	*	*			cis	111.3	133.9	45.2	60.8	0	0	0	0	109.6
6	Q	28.9	Very low	27.7	Very low	184 Å²	184	138.3 Å²	138.3	86%	0.86	81%	0.808	S	S	*	*			trans	147.6	128.7	151.1	-85.9	-179.4	-6.2	0	0	109.4
7	V	27.3	Very low	27.8	Very low	148 Å²	148	139 Å²	139	90%	0.897	81%	0.807	S	S	*	*			cis	80	126.6	39.7	-174.8	0	0	0	0	114.9
8	G	25.1	Very low	27.8	Very low	69 Å²	69	140.2 Å²	140.2	71%	0.711	81%	0.809	S	S	*	*			trans	134	115.1	163.6	0	0	0	0	0	111.1
9	V	25.8	Very low	27.7	Very low	150 Å²	150	136 Å²	136	91%	0.909	80%	0.799	S	S	*	*			cis	67.4	121.2	40.4	-168.8	0	0	0	0	115.2
10	G	24.4	Very low	27.8	Very low	65 Å²	65	136.7 Å²	136.7	67%	0.67	81%	0.805	S	S	*	*			trans	111.2	144.9	154.4	0	0	0	0	0	116.1
11	L	24.9	Very low	27.9	Very low	149 Å²	149	138.4 Å²	138.4	78%	0.78	81%	0.805	S	S	*	*			cis	177.2	139.3	-17.4	-101.3	153	0	0	0	104.5
12	F	24.5	Very low	27.8	Very low	167 Å²	167	132.5 Å²	132.5	73%	0.732	79%	0.786	S	S	*	*			trans	53.5	138.8	143.7	-79.2	-102.7	0	0	0	126.4
13	N	26.1	Very low	27.7	Very low	130 Å²	130	131.5 Å²	131.5	70%	0.695	78%	0.779	S	S	*	*			trans	67.8	149.1	138.8	-80.6	-0.4	0	0	0	118.8
14	T	26.6	Very low	27.8	Very low	110 Å²	110	135 Å²	135	68%	0.675	79%	0.787	S	S	*	*			cis	-171.3	154.7	7.2	14.5	0	0	0	0	105.7
15	D	26.3	Very low	27.8	Very low	176 Å²	176	132.4 Å²	132.4	94%	0.941	78%	0.784	S	S	*	*			trans	-154.7	143.5	136.2	-103	-24.6	0	0	0	111.4
16	A	30	Very low	27.7	Very low	79 Å²	79	139.8 Å²	139.8	65%	0.653	80%	0.797	S	S	*	*			trans	-123.5	-171.8	-159.8	0	0	0	0	0	111.5
17	L	28.9	Very low	27.6	Very low	151 Å²	151	142.3 Å²	142.3	79%	0.791	80%	0.799	S	S	*	*			trans	98.4	135.5	159.9	-57.5	170.5	0	0	0	114.5
18	L	27.5	Very low	27.9	Very low	160 Å²	160	140.1 Å²	140.1	84%	0.838	79%	0.79	S	S	*	*			cis	-168.8	160	2.4	-91.9	153.5	0	0	0	104
19	G	26	Very low	28.1	Very low	61 Å²	61	145 Å²	145	63%	0.629	80%	0.8	S	S	*	*			cis	170.9	146.8	6.5	0	0	0	0	0	110.5
20	V	29.3	Very low	28.3	Very low	150 Å²	150	141.4 Å²	141.4	91%	0.909	79%	0.793	S	S	*	*			trans	63	128.8	134.7	-162.4	0	0	0	0	122.7
21	Q	29.5	Very low	28.6	Very low	173 Å²	173	143.9 Å²	143.9	81%	0.808	80%	0.8	S	S	*	*			trans	-74.9	178.4	173.1	-60	175.9	-48.4	0	0	114.2
22	P	38.3	Very low	28.9	Very low	132 Å²	132	142.9 Å²	142.9	86%	0.857	80%	0.8	S	S	*	*				-147.7	169.5	93.6	34.7	-15	0	0	0	116.8
23	C	26.7	Very low	29.4	Very low	111 Å²	111	146.4 Å²	146.4	75%	0.75	81%	0.808	S	S	*	*			trans	-91.4	140.8	-177.4	-178.5	0	0	0	0	112.8
24	V	29.3	Very low	29.7	Very low	142 Å²	142	146 Å²	146	86%	0.861	82%	0.816	S	S	*	*			trans	-149.6	131.9	158.3	-178.8	0	0	0	0	111.1
25	Q	29	Very low	30.4	Very low	176 Å²	176	144.8 Å²	144.8	82%	0.822	83%	0.826	S	S	*	*			trans	-76.2	150.1	172.6	-69	173.2	-35.8	0	0	113.3
26	R	27.5	Very low	30.6	Very low	253 Å²	253	140.9 Å²	140.9	96%	0.955	82%	0.817	S	S	*	*			trans	-163.9	163.5	141.2	-111.8	177.7	-158.2	-151.8	6	113.3
27	R	27.4	Very low	30.6	Very low	237 Å²	237	146.4 Å²	146.4	89%	0.894	83%	0.83	S	S	*	*			trans	-82.2	161.5	-152.6	-71.7	172.9	170	179.3	-3.1	116.4
28	S	32.4	Very low	30.8	Very low	101 Å²	101	150.1 Å²	150.1	71%	0.706	83%	0.833	S	S	*	*			trans	-1.6	134.7	152.8	60.2	0	0	0	0	120.4
29	D	30	Very low	31	Very low	172 Å²	172	151.4 Å²	151.4	92%	0.92	84%	0.835	S	S	*	*			trans	-152	139.8	132	-98	-24.1	0	0	0	110.3
30	G	29.2	Very low	31.4	Very low	75 Å²	75	154.1 Å²	154.1	77%	0.773	84%	0.84	S	S	*	*			trans	-94.9	151.2	179.1	0	0	0	0	0	112.8
31	S	30.5	Very low	31.6	Very low	116 Å²	116	150.1 Å²	150.1	81%	0.811	83%	0.828	S	S	*	*			trans	-162.9	118.7	145.1	56.2	0	0	0	0	112.8
32	V	31.4	Very low	31.8	Very low	129 Å²	129	147.7 Å²	147.7	78%	0.782	83%	0.825	S	S	*	*			trans	36.5	111.9	135.3	-167.8	0	0	0	0	121.1
33	R	35.1	Very low	31.5	Very low	240 Å²	240	150.1 Å²	150.1	91%	0.906	83%	0.828	S	S	*	*			trans	33	124	136.1	-60.5	179.9	175.7	-174.3	-2.1	120.2
34	S	32.3	Very low	32	Very low	121 Å²	121	150.7 Å²	150.7	85%	0.846	83%	0.828	S	S	*	*				-149	136.3	119.8	67.7	0	0	0	0	110.1
35	G	42	Very low	32.7	Very low	86 Å²	86	148 Å²	148	89%	0.887	82%	0.82	S	S	*	*			trans	-76.4	127.6	-177.5	0	0	0	0	0	111.2
36	A	30.4	Very low	33.9	Very low	93 Å²	93	144.8 Å²	144.8	77%	0.769	82%	0.815	S	S	*	*			trans	-131.2	104.1	156.7	0	0	0	0	0	105.9	R38	A36-R38 PolarHBondContact O-N 2.82Å
37	E	30.8	Very low	36	Very low	195 Å²	195	137 Å²	137	91%	0.911	80%	0.799	S	S	*	*			trans	-55.3	103.4	167.2	-74	176.2	152.7	0	0	107.9	Q39	E37-Q39 VanDerWaalsContact C-N 3.31Å; E37-Q39 PolarHBondContact O-N 3.01Å
38	R	31.7	Very low	38.7	Very low	230 Å²	230	128 Å²	128	87%	0.868	77%	0.768	S	S	*	*			trans	-67.1	100.8	159.8	-87	-175.6	-179.8	-167.9	-0.1	105.8	A36 T40	A36-R38 PolarHBondContact O-N 2.82Å; R38-T40 PolarHBondContact O-N 2.92Å
39	Q	32.5	Very low	41.5	Very low	187 Å²	187	127.8 Å²	127.8	87%	0.874	76%	0.759	S	S	*	*			trans	-56.3	94.1	153.2	-78.9	-174.9	-12.3	0	0	106.9	E37 G41	E37-Q39 VanDerWaalsContact C-N 3.31Å; E37-Q39 PolarHBondContact O-N 3.01Å; Q39-G41 PolarHBondContact O-N 2.81Å
40	T	34.2	Very low	44.7	Very low	118 Å²	118	121.5 Å²	121.5	72%	0.724	72%	0.723	S	S	*	*			trans	-69.9	83.5	159.8	49.2	0	0	0	0	105.6	R38 T42	R38-T40 PolarHBondContact O-N 2.92Å; T40-T42 PolarHBondContact O-N 2.87Å
41	G	32.7	Very low	48	Very low	65 Å²	65	119.8 Å²	119.8	67%	0.67	70%	0.696	S	S	*	*			trans	-59.5	93.9	159.7	0	0	0	0	0	106.7	Q39 M43	Q39-G41 PolarHBondContact O-N 2.81Å; G41-M43 PolarHBondContact O-N 2.9Å
42	T	33.5	Very low	51.3	Low	122 Å²	122	114.2 Å²	114.2	75%	0.748	66%	0.658	S	S	*	*			trans	-57.8	96.6	157.5	21.6	0	0	0	0	105.5	T40 T44	T40-T42 PolarHBondContact O-N 2.87Å; T42-T44 PolarHBondContact O-N 2.86Å
43	M	33.1	Very low	54.5	Low	184 Å²	184	108.1 Å²	108.1	91%	0.906	62%	0.62	S	S	*	*			trans	-58.5	92.8	155.3	-78	-178.9	61	0	0	105.4	G41 A45	G41-M43 PolarHBondContact O-N 2.9Å; M43-A45 PolarHBondContact O-N 3.47Å
44	T	37.6	Very low	57.5	Low	123 Å²	123	96.7 Å²	96.7	76%	0.755	58%	0.577	S	S	*	*			trans	-56.9	113.1	164.3	35.5	0	0	0	0	105.5	T42	T42-T44 PolarHBondContact O-N 2.86Å
45	A	43.4	Very low	60.7	Low	84 Å²	84	91.2 Å²	91.2	69%	0.694	54%	0.539	S	S	*	.			trans	-48.5	134.3	167.1	0	0	0	0	0	107.1	M43 S47	M43-A45 PolarHBondContact O-N 3.47Å; A45-S47 PolarHBondContact O-N 3.47Å; A45-S47 VanDerWaalsContact O-N 3.11Å
46	P	53.3	Low	63.4	Low	109 Å²	109	87.5 Å²	87.5	71%	0.708	50%	0.5	S	S	*	.			trans	-51.8	127.1	-179.8	19.4	-30	0	0	0	108.4	N48	P46-N48 PolarHBondContact O-N 3.02Å
47	S	71.7	Confident	66.7	Low	89 Å²	89	83.1 Å²	83.1	62%	0.622	46%	0.464	S	S	*	.			trans	-63	112.3	177.4	57.5	0	0	0	0	107.7	A45 N49	A45-S47 PolarHBondContact O-N 3.47Å; A45-S47 VanDerWaalsContact O-N 3.11Å; S47-N49 PolarHBondContact O-N 3.04Å
48	N	84	Confident	69.9	Low	48 Å²	48	74.6 Å²	74.6	26%	0.257	43%	0.429	S	S	.	.			trans	-73.6	50.6	177.8	-77.5	-18.1	0	0	0	111.6	P46 Y50 T299 Y300 T301	P46-N48 PolarHBondContact O-N 3.02Å; N48-Y50 VanDerWaalsContact C-CE2 3.42Å; N48-Y50 HydrophobicContact CB-CE2 4.08Å; N48-Y50 WeakPolarHBondContact O-CD2 3.46Å; N48-T299 VanDerWaalsContact CB-O 3.26Å; N48-T299 WeakPolarHBondContact CB-O 3.19Å; N48-T299 PolarHBondContact ND2-O 3.34Å; N48-Y300 HydrophobicContact CB-CD1 4.39Å; N48-T301 PolarHBondContact O-N 3.04Å; N48-T301 PolarHBondContact O-OG1 3.11Å
49	N	92	Very high	73.1	Confident	97 Å²	97	64.1 Å²	64.1	52%	0.519	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.1	-178	-65.2	-2.8	0	0	0	109.2	S47 T301	S47-N49 PolarHBondContact O-N 3.04Å; N49-T301 PolarHBondContact OD1-OG1 3.36Å
50	Y	97.9	Very high	76.3	Confident	40 Å²	40	55.4 Å²	55.4	16%	0.157	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	160.4	-173.4	-60.2	-83.8	0	0	0	110.8	N48 N74 V76 Y300 T301 A302	N48-Y50 VanDerWaalsContact C-CE2 3.42Å; N48-Y50 HydrophobicContact CB-CE2 4.08Å; N48-Y50 WeakPolarHBondContact O-CD2 3.46Å; Y50-N74 WeakPolarHBondContact CB-O 3.27Å; Y50-V76 HydrophobicContact CD1-CB 3.6Å; Y50-V76 HydrophobicContact CD1-CG1 3.82Å; Y50-V76 HydrophobicContact CD2-CB 4.15Å; Y50-V76 HydrophobicContact CD2-CG1 3.55Å; Y50-V76 HydrophobicContact CE1-CB 3.56Å; Y50-V76 HydrophobicContact CE1-CG1 4.08Å; Y50-V76 HydrophobicContact CE1-CG2 4.08Å; Y50-V76 HydrophobicContact CE2-CB 4.13Å; Y50-V76 HydrophobicContact CE2-CG1 3.83Å; Y50-V76 HydrophobicContact CE2-CG2 4.42Å; Y50-V76 HydrophobicContact CG-CB 3.89Å; Y50-V76 HydrophobicContact CG-CG1 3.53Å; Y50-Y300 HydrophobicContact CD2-CD1 4.37Å; Y50-Y300 AromaticContact CE2-CD1 3.68Å; Y50-Y300 HydrophobicContact CE2-CD1 3.68Å; Y50-Y300 HydrophobicContact CE2-CE1 4.38Å; Y50-T301 PolarHBondContact N-O 2.9Å; Y50-A302 WeakPolarHBondContact O-CA 3.45Å
51	D	98.3	Very high	79.4	Confident	39 Å²	39	49.8 Å²	49.8	21%	0.209	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	-41.8	168.1	-73.3	-55.1	0	0	0	109.9	L73 N74 R303 Y304	D51-L73 HydrophobicContact CB-CB 4.08Å; D51-L73 HydrophobicContact CB-CD2 4.08Å; D51-L73 WeakPolarHBondContact OD2-CA 3.4Å; D51-N74 PolarHBondContact N-O 2.9Å; D51-N74 PolarHBondContact OD2-N 2.74Å; D51-R303 WeakPolarHBondContact O-CB 3.33Å; D51-R303 PolarHBondContact O-N 2.78Å; D51-R303 VanDerWaalsContact O-N 3.14Å; D51-Y304 PolarHBondContact O-N 3.47Å
52	V	98.9	Very high	82.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	130.9	-175.8	-169.1	0	0	0	0	111	V54 L68 L73 P75 V76 Y304 V306 V495	V52-V54 HydrophobicContact CG1-CG2 4.3Å; V52-L68 HydrophobicContact CB-CD1 3.97Å; V52-L68 HydrophobicContact CG1-CD1 3.79Å; V52-L68 HydrophobicContact CG2-CD1 4.07Å; V52-L68 HydrophobicContact CG2-CD2 4.21Å; V52-L73 HydrophobicContact CG2-CD1 4.32Å; V52-P75 CarbonylContact O-C 3.44Å; V52-P75 VanDerWaalsContact O-CA 3.23Å; V52-P75 WeakPolarHBondContact O-CA 3.38Å; V52-V76 PolarHBondContact O-N 3.22Å; V52-Y304 WeakPolarHBondContact CA-O 3.43Å; V52-V306 HydrophobicContact CG1-CG2 4Å; V52-V495 HydrophobicContact CG2-CG1 3.78Å
53	V	98.9	Very high	85.6	Confident	0 Å²	0	41 Å²	41	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.9	163.4	167.4	0	0	0	0	108.6	I55 V76 L78 V292 A302 Y304 V305 V306	V53-I55 HydrophobicContact CG1-CG1 4.16Å; V53-V76 CarbonylContact C-O 3.58Å; V53-V76 HydrophobicContact CB-CG1 4.2Å; V53-V76 HydrophobicContact CG1-CG1 4.48Å; V53-V76 HydrophobicContact CG2-CG1 3.51Å; V53-L78 HydrophobicContact CG1-CD1 3.72Å; V53-L78 HydrophobicContact CG1-CG 4.06Å; V53-V292 HydrophobicContact CB-CG2 4.29Å; V53-V292 HydrophobicContact CG1-CB 4.38Å; V53-V292 HydrophobicContact CG1-CG1 4.25Å; V53-V292 HydrophobicContact CG1-CG2 4.09Å; V53-V292 HydrophobicContact CG2-CG2 4.41Å; V53-A302 HydrophobicContact CB-CB 4.23Å; V53-A302 HydrophobicContact CG2-CB 3.7Å; V53-Y304 PolarHBondContact N-O 2.98Å; V53-Y304 VanDerWaalsContact N-O 3.1Å; V53-V305 HydrophobicContact CB-CG2 4.31Å; V53-V305 CarbonylContact O-C 3.26Å; V53-V305 VanDerWaalsContact O-CA 3.23Å; V53-V305 WeakPolarHBondContact O-CA 3.37Å; V53-V306 PolarHBondContact O-N 3.43Å
54	V	98.9	Very high	88.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.6	173.8	-174.8	0	0	0	0	108.9	V52 A65 L68 V76 V77 L78 V306 A308	V52-V54 HydrophobicContact CG1-CG2 4.3Å; V54-A65 HydrophobicContact CG2-CB 4.16Å; V54-L68 HydrophobicContact CG2-CD1 4.25Å; V54-V76 PolarHBondContact N-O 3.13Å; V54-V77 HydrophobicContact CB-CG2 4.28Å; V54-V77 CarbonylContact O-C 3.58Å; V54-V77 WeakPolarHBondContact O-CA 3.29Å; V54-L78 PolarHBondContact O-N 3.3Å; V54-V306 CarbonylContact C-O 3.56Å; V54-V306 WeakPolarHBondContact CA-O 3.4Å; V54-V306 HydrophobicContact CG1-CB 4.26Å; V54-V306 HydrophobicContact CG1-CG1 4.38Å; V54-V306 HydrophobicContact CG2-CB 4.23Å; V54-A308 HydrophobicContact CG1-CB 4.37Å
55	I	98.9	Very high	91.7	Very high	7 Å²	7	26.4 Å²	26.4	4%	0.036	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	113.4	-177.6	-54.7	179.4	0	0	0	108.9	V53 V280 I283 V292 V305 V306 V307 A308 T309 M317	V53-I55 HydrophobicContact CG1-CG1 4.16Å; I55-V280 HydrophobicContact CD1-CB 4.33Å; I55-V280 HydrophobicContact CD1-CG1 3.97Å; I55-V280 HydrophobicContact CD1-CG2 4.22Å; I55-V280 HydrophobicContact CG1-CG2 4.15Å; I55-V280 HydrophobicContact CG2-CB 4.14Å; I55-V280 HydrophobicContact CG2-CG2 4.01Å; I55-I283 HydrophobicContact CD1-CD1 3.39Å; I55-I283 HydrophobicContact CD1-CG1 4.13Å; I55-V292 HydrophobicContact CD1-CG1 4.46Å; I55-V305 HydrophobicContact CD1-CG1 3.68Å; I55-V305 HydrophobicContact CG1-CG1 3.96Å; I55-V306 PolarHBondContact N-O 3.37Å; I55-V307 HydrophobicContact CD1-CG2 4.42Å; I55-A308 CarbonylContact O-C 3.36Å; I55-A308 WeakPolarHBondContact O-CA 3.46Å; I55-A308 WeakPolarHBondContact O-CB 3.36Å; I55-A308 PolarHBondContact O-N 3.25Å; I55-T309 HydrophobicContact CG2-CG2 4.2Å; I55-M317 HydrophobicContact CD1-SD 4Å; I55-M317 HydrophobicContact CG2-SD 4.18Å
56	G	98.9	Very high	94.3	Very high	8 Å²	8	23.7 Å²	23.7	8%	0.082	14%	0.142	C	C	.	.			trans	98.6	122	-178.9	0	0	0	0	0	113.4	G58 G61 L78	G56-G58 VanDerWaalsContact C-N 3.32Å; G56-G58 PolarHBondContact O-N 3.1Å; G56-G61 WeakPolarHBondContact O-CA 3.49Å; G56-L78 PolarHBondContact N-O 3.18Å
57	A	98.8	Very high	96.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.118	C	C	.	.			trans	-95	36.1	174.5	0	0	0	0	0	112.8	L62 V77 E79 V84 G85 V274	A57-L62 HydrophobicContact CB-CD1 4.49Å; A57-L62 HydrophobicContact CB-CD2 4.09Å; A57-L62 HydrophobicContact CB-CG 4.16Å; A57-L62 VanDerWaalsContact O-CD1 3.29Å; A57-L62 WeakPolarHBondContact O-CD1 3.19Å; A57-V77 HydrophobicContact CB-CG1 3.69Å; A57-E79 WeakPolarHBondContact CA-OE2 3.32Å; A57-E79 HydrophobicContact CB-CB 3.62Å; A57-E79 HydrophobicContact CB-CG 3.89Å; A57-E79 PolarHBondContact N-OE2 2.9Å; A57-V84 HydrophobicContact CB-CB 4.1Å; A57-V84 HydrophobicContact CB-CG1 3.67Å; A57-G85 PolarHBondContact O-N 3.4Å; A57-V274 HydrophobicContact CB-CG1 4.28Å
58	G	98.9	Very high	97.8	Very high	17 Å²	17	16 Å²	16	18%	0.175	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-69.6	174.1	159.9	0	0	0	0	0	111.3	G56 S60 G61 L62	G56-G58 VanDerWaalsContact C-N 3.32Å; G56-G58 PolarHBondContact O-N 3.1Å; G58-S60 PolarHBondContact O-N 2.9Å; G58-S60 VanDerWaalsContact O-N 3.08Å; G58-G61 PolarHBondContact O-N 2.81Å; G58-L62 WeakPolarHBondContact O-CB 3.4Å; G58-L62 WeakPolarHBondContact O-CG 3.05Å; G58-L62 PolarHBondContact O-N 3.13Å
59	I	98.9	Very high	98.5	Very high	9 Å²	9	17.1 Å²	17.1	5%	0.046	9%	0.09	C	C	.	.	H	α-helix	trans	-49.4	-40.7	177.6	-68.6	173.5	0	0	0	111.9	S63 T88 I113 I262 S263 M266 M481 A484 V485	I59-S63 VanDerWaalsContact O-CB 3.29Å; I59-S63 WeakPolarHBondContact O-CB 3.48Å; I59-S63 PolarHBondContact O-N 3.05Å; I59-S63 PolarHBondContact O-OG 3.15Å; I59-T88 HydrophobicContact CD1-CG2 3.76Å; I59-I113 HydrophobicContact CD1-CD1 4.34Å; I59-I113 HydrophobicContact CG2-CD1 4.48Å; I59-I262 HydrophobicContact CD1-CG2 4.49Å; I59-I262 HydrophobicContact CG1-CG2 4.39Å; I59-S263 WeakPolarHBondContact CG1-OG 3.48Å; I59-M266 HydrophobicContact CG2-CE 4.46Å; I59-M481 HydrophobicContact CD1-CB 3.85Å; I59-M481 HydrophobicContact CD1-CG 3.61Å; I59-M481 HydrophobicContact CD1-SD 3.91Å; I59-A484 HydrophobicContact CB-CB 3.95Å; I59-A484 HydrophobicContact CG2-CB 3.85Å; I59-V485 HydrophobicContact CG2-CG2 3.53Å
60	S	98.9	Very high	98.8	Very high	5 Å²	5	16.2 Å²	16.2	4%	0.035	10%	0.096	C	C	.	.	H	α-helix	trans	-65.5	-50.8	-178.2	-159.6	0	0	0	0	113.3	G58 S63 A64 G470 A484 G488	G58-S60 PolarHBondContact O-N 2.9Å; G58-S60 VanDerWaalsContact O-N 3.08Å; S60-S63 PolarHBondContact O-N 3.3Å; S60-A64 PolarHBondContact O-N 2.68Å; S60-G470 WeakPolarHBondContact OG-CA 3.37Å; S60-G470 PolarHBondContact OG-N 3Å; S60-A484 WeakPolarHBondContact CA-O 3.22Å; S60-A484 WeakPolarHBondContact CB-O 3.37Å; S60-A484 PolarHBondContact OG-O 3.14Å; S60-G488 VanDerWaalsContact O-CA 3.22Å; S60-G488 WeakPolarHBondContact O-CA 3.41Å; S60-G488 WeakPolarHBondContact OG-CA 3.23Å; S60-G488 PolarHBondContact OG-N 2.68Å
61	G	98.9	Very high	98.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.6	-37.8	179.3	0	0	0	0	0	112.6	G56 G58 A64 A65	G56-G61 WeakPolarHBondContact O-CA 3.49Å; G58-G61 PolarHBondContact O-N 2.81Å; G61-A64 WeakPolarHBondContact O-CB 3.35Å; G61-A64 PolarHBondContact O-N 2.8Å; G61-A65 WeakPolarHBondContact O-CB 3.31Å; G61-A65 PolarHBondContact O-N 2.87Å
62	L	98.9	Very high	98.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.3	-39.6	175.1	-70.7	172.3	0	0	0	112.4	A57 G58 A65 K66 V84 S263 M266 A267 L270 V274	A57-L62 HydrophobicContact CB-CD1 4.49Å; A57-L62 HydrophobicContact CB-CD2 4.09Å; A57-L62 HydrophobicContact CB-CG 4.16Å; A57-L62 VanDerWaalsContact O-CD1 3.29Å; A57-L62 WeakPolarHBondContact O-CD1 3.19Å; G58-L62 WeakPolarHBondContact O-CB 3.4Å; G58-L62 WeakPolarHBondContact O-CG 3.05Å; G58-L62 PolarHBondContact O-N 3.13Å; L62-A65 PolarHBondContact O-N 3.26Å; L62-K66 VanDerWaalsContact O-CB 3.29Å; L62-K66 WeakPolarHBondContact O-CB 3.49Å; L62-K66 PolarHBondContact O-N 2.98Å; L62-V84 HydrophobicContact CD1-CB 4.16Å; L62-S263 VanDerWaalsContact CD1-CB 3.44Å; L62-S263 WeakPolarHBondContact CD1-O 3.44Å; L62-M266 HydrophobicContact CB-CB 3.92Å; L62-M266 HydrophobicContact CB-CE 3.67Å; L62-M266 HydrophobicContact CB-CG 4.47Å; L62-M266 HydrophobicContact CB-SD 3.77Å; L62-M266 HydrophobicContact CD1-CB 4.33Å; L62-M266 HydrophobicContact CD1-CE 4.3Å; L62-A267 HydrophobicContact CD2-CB 4.32Å; L62-L270 HydrophobicContact CD2-CD1 3.72Å; L62-V274 HydrophobicContact CD2-CG2 4.21Å
63	S	98.9	Very high	98.8	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-64	-42	175.3	-57	0	0	0	0	111.2	I59 S60 L67	I59-S63 VanDerWaalsContact O-CB 3.29Å; I59-S63 WeakPolarHBondContact O-CB 3.48Å; I59-S63 PolarHBondContact O-N 3.05Å; I59-S63 PolarHBondContact O-OG 3.15Å; S60-S63 PolarHBondContact O-N 3.3Å; S63-L67 PolarHBondContact O-N 3.4Å; S63-L67 VanDerWaalsContact O-N 3.09Å
64	A	98.9	Very high	98.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.9	-52.2	174.4	0	0	0	0	0	111.2	S60 G61 K66 L67 L68 V306 G488 A492	S60-A64 PolarHBondContact O-N 2.68Å; G61-A64 WeakPolarHBondContact O-CB 3.35Å; G61-A64 PolarHBondContact O-N 2.8Å; A64-K66 PolarHBondContact O-N 2.96Å; A64-L67 PolarHBondContact O-N 2.87Å; A64-L68 WeakPolarHBondContact O-CB 3.03Å; A64-L68 WeakPolarHBondContact O-CD1 3.5Å; A64-L68 WeakPolarHBondContact O-CG 3.48Å; A64-L68 PolarHBondContact O-N 3.22Å; A64-V306 HydrophobicContact CB-CG1 4.29Å; A64-G488 WeakPolarHBondContact CA-O 3.3Å; A64-G488 VanDerWaalsContact CB-O 3.23Å; A64-G488 WeakPolarHBondContact CB-O 3.38Å; A64-A492 HydrophobicContact CB-CB 4.2Å
65	A	98.9	Very high	98.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.5	-41.1	-179.1	0	0	0	0	0	112.6	V54 G61 L62 L68 K69 P75 V77 L270	V54-A65 HydrophobicContact CG2-CB 4.16Å; G61-A65 WeakPolarHBondContact O-CB 3.31Å; G61-A65 PolarHBondContact O-N 2.87Å; L62-A65 PolarHBondContact O-N 3.26Å; A65-L68 PolarHBondContact O-N 2.95Å; A65-K69 WeakPolarHBondContact O-CB 3.26Å; A65-K69 PolarHBondContact O-N 2.67Å; A65-P75 HydrophobicContact CB-CB 4.37Å; A65-P75 HydrophobicContact CB-CG 4.46Å; A65-P75 WeakPolarHBondContact O-CG 3.31Å; A65-V77 HydrophobicContact CB-CG2 3.4Å; A65-L270 HydrophobicContact CB-CD1 3.75Å; A65-L270 HydrophobicContact CB-CD2 4.02Å
66	K	98.8	Very high	98.7	Very high	26 Å²	26	20.5 Å²	20.5	11%	0.113	14%	0.141	C	C	.	.	H	α-helix	trans	-58.4	-48.8	175.3	-170.3	-155.5	-170.6	-41	0	110.8	L62 A64 K69 A70 E119 Y120 M266 E269	L62-K66 VanDerWaalsContact O-CB 3.29Å; L62-K66 WeakPolarHBondContact O-CB 3.49Å; L62-K66 PolarHBondContact O-N 2.98Å; A64-K66 PolarHBondContact O-N 2.96Å; K66-K69 PolarHBondContact O-N 3.47Å; K66-A70 WeakPolarHBondContact O-CB 3.34Å; K66-A70 PolarHBondContact O-N 2.79Å; K66-E119 WeakPolarHBondContact CE-OE1 3.17Å; K66-E119 IonicContact NZ-OE1 3.78Å; K66-E119 PolarHBondContact NZ-OE1 3.22Å; K66-E119 IonicContact NZ-OE2 3.88Å; K66-Y120 WeakPolarHBondContact CE-OH 3.33Å; K66-M266 HydrophobicContact CD-CG 4.37Å; K66-E269 WeakPolarHBondContact CE-OE2 3.41Å; K66-E269 WeakPolarHBondContact CG-OE1 3.48Å; K66-E269 IonicContact NZ-OE1 3.75Å; K66-E269 PolarHBondContact NZ-OE1 2.9Å; K66-E269 IonicContact NZ-OE2 2.64Å; K66-E269 PolarHBondContact NZ-OE2 3.33Å; K66-E269 VanDerWaalsContact NZ-OE2 3.15Å
67	L	98.9	Very high	98.7	Very high	38 Å²	38	20.1 Å²	20.1	20%	0.199	14%	0.137	C	C	.	.	H	α-helix	trans	-66.3	-40.8	180	-178.4	57.5	0	0	0	112.4	S63 A64 A70 S71 E489 A492 R493	S63-L67 PolarHBondContact O-N 3.4Å; S63-L67 VanDerWaalsContact O-N 3.09Å; A64-L67 PolarHBondContact O-N 2.87Å; L67-A70 PolarHBondContact O-N 2.76Å; L67-S71 WeakPolarHBondContact O-CB 3.35Å; L67-S71 PolarHBondContact O-N 3.05Å; L67-S71 PolarHBondContact O-OG 3.02Å; L67-E489 HydrophobicContact CD2-CB 3.89Å; L67-E489 HydrophobicContact CD2-CG 4.26Å; L67-A492 HydrophobicContact CB-CB 4.17Å; L67-A492 HydrophobicContact CD2-CB 3.99Å; L67-A492 HydrophobicContact CG-CB 4.24Å; L67-R493 HydrophobicContact CD2-CG 3.81Å
68	L	98.9	Very high	98.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.1	-45.6	175.9	-68.1	164.7	0	0	0	111.2	V52 V54 A64 A65 S71 G72 L73 P75 A492 V495 L496	V52-L68 HydrophobicContact CB-CD1 3.97Å; V52-L68 HydrophobicContact CG1-CD1 3.79Å; V52-L68 HydrophobicContact CG2-CD1 4.07Å; V52-L68 HydrophobicContact CG2-CD2 4.21Å; V54-L68 HydrophobicContact CG2-CD1 4.25Å; A64-L68 WeakPolarHBondContact O-CB 3.03Å; A64-L68 WeakPolarHBondContact O-CD1 3.5Å; A64-L68 WeakPolarHBondContact O-CG 3.48Å; A64-L68 PolarHBondContact O-N 3.22Å; A65-L68 PolarHBondContact O-N 2.95Å; L68-S71 CarbonylContact O-C 3.44Å; L68-S71 PolarHBondContact O-N 3.44Å; L68-S71 VanDerWaalsContact O-N 3.13Å; L68-G72 PolarHBondContact O-N 3.22Å; L68-L73 HydrophobicContact CB-CB 4.47Å; L68-L73 HydrophobicContact CD2-CD1 3.73Å; L68-L73 WeakPolarHBondContact O-CB 3.37Å; L68-L73 PolarHBondContact O-N 3.13Å; L68-L73 VanDerWaalsContact O-N 3.1Å; L68-P75 HydrophobicContact CB-CB 4.25Å; L68-P75 HydrophobicContact CB-CG 4.18Å; L68-P75 HydrophobicContact CD1-CB 4.43Å; L68-A492 HydrophobicContact CD1-CB 4.31Å; L68-A492 HydrophobicContact CD2-CB 3.94Å; L68-A492 HydrophobicContact CG-CB 3.74Å; L68-V495 HydrophobicContact CD2-CB 4.34Å; L68-V495 HydrophobicContact CD2-CG1 4.24Å; L68-L496 HydrophobicContact CD2-CD2 4.4Å; L68-L496 HydrophobicContact CD2-CG 4.29Å
69	K	98.6	Very high	98.7	Very high	70 Å²	70	19.9 Å²	19.9	30%	0.304	13%	0.131	S	C	.	.	H	α-helix	trans	-60.9	-46.3	175.1	-179.6	178.3	175.1	177.7	0	111.5	A65 K66 S71 G72 P75 E269 L270	A65-K69 WeakPolarHBondContact O-CB 3.26Å; A65-K69 PolarHBondContact O-N 2.67Å; K66-K69 PolarHBondContact O-N 3.47Å; K69-S71 PolarHBondContact O-N 2.78Å; K69-G72 PolarHBondContact O-N 2.85Å; K69-P75 HydrophobicContact CB-CG 3.99Å; K69-E269 PolarHBondContact NZ-O 3.37Å; K69-L270 HydrophobicContact CB-CD2 4.21Å; K69-L270 HydrophobicContact CD-CD2 3.86Å
70	A	98.3	Very high	98.7	Very high	78 Å²	78	20.4 Å²	20.4	65%	0.645	14%	0.137	S	C	*	.	H	α-helix	trans	-61.7	-25	176.6	0	0	0	0	0	112.8	K66 L67 G72	K66-A70 WeakPolarHBondContact O-CB 3.34Å; K66-A70 PolarHBondContact O-N 2.79Å; L67-A70 PolarHBondContact O-N 2.76Å; A70-G72 VanDerWaalsContact C-N 3.27Å; A70-G72 PolarHBondContact O-N 3.22Å
71	S	98.4	Very high	98.7	Very high	42 Å²	42	21.2 Å²	21.2	29%	0.294	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	11.8	176.2	-53.9	0	0	0	0	113.7	L67 L68 K69 L496	L67-S71 WeakPolarHBondContact O-CB 3.35Å; L67-S71 PolarHBondContact O-N 3.05Å; L67-S71 PolarHBondContact O-OG 3.02Å; L68-S71 CarbonylContact O-C 3.44Å; L68-S71 PolarHBondContact O-N 3.44Å; L68-S71 VanDerWaalsContact O-N 3.13Å; K69-S71 PolarHBondContact O-N 2.78Å; S71-L496 WeakPolarHBondContact OG-CD1 3.28Å
72	G	97.9	Very high	98.7	Very high	65 Å²	65	26.9 Å²	26.9	67%	0.67	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.3	19.1	176.7	0	0	0	0	0	114.8	L68 K69 A70	L68-G72 PolarHBondContact O-N 3.22Å; K69-G72 PolarHBondContact O-N 2.85Å; A70-G72 VanDerWaalsContact C-N 3.27Å; A70-G72 PolarHBondContact O-N 3.22Å
73	L	98.4	Very high	98.6	Very high	15 Å²	15	28.9 Å²	28.9	8%	0.079	18%	0.177	C	C	.	.			trans	-92.8	163.7	171.6	-64.2	-179.9	0	0	0	111.4	D51 V52 L68 P75 L496 M499 K501	D51-L73 HydrophobicContact CB-CB 4.08Å; D51-L73 HydrophobicContact CB-CD2 4.08Å; D51-L73 WeakPolarHBondContact OD2-CA 3.4Å; V52-L73 HydrophobicContact CG2-CD1 4.32Å; L68-L73 HydrophobicContact CB-CB 4.47Å; L68-L73 HydrophobicContact CD2-CD1 3.73Å; L68-L73 WeakPolarHBondContact O-CB 3.37Å; L68-L73 PolarHBondContact O-N 3.13Å; L68-L73 VanDerWaalsContact O-N 3.1Å; L73-P75 VanDerWaalsContact C-CD 3.43Å; L73-P75 WeakPolarHBondContact O-CD 3.45Å; L73-L496 HydrophobicContact CD1-CD2 3.61Å; L73-L496 HydrophobicContact CG-CD2 4.29Å; L73-M499 HydrophobicContact CD1-CE 4.35Å; L73-M499 HydrophobicContact CD1-SD 3.61Å; L73-M499 HydrophobicContact CD2-CE 3.62Å; L73-M499 HydrophobicContact CD2-SD 3.96Å; L73-M499 HydrophobicContact CG-SD 4.46Å; L73-K501 HydrophobicContact CD2-CD 4.26Å; L73-K501 VanDerWaalsContact CD2-CE 3.42Å
74	N	98	Very high	98.6	Very high	55 Å²	55	29.6 Å²	29.6	29%	0.294	18%	0.181	S	C	.	.			trans	-103.7	85.4	174.1	-174.2	35.7	0	0	0	111.8	Y50 D51	Y50-N74 WeakPolarHBondContact CB-O 3.27Å; D51-N74 PolarHBondContact N-O 2.9Å; D51-N74 PolarHBondContact OD2-N 2.74Å
75	P	98.6	Very high	98.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	150.9	175.2	34	-35.4	0	0	0	112.6	V52 A65 L68 K69 L73 R273	V52-P75 CarbonylContact O-C 3.44Å; V52-P75 VanDerWaalsContact O-CA 3.23Å; V52-P75 WeakPolarHBondContact O-CA 3.38Å; A65-P75 HydrophobicContact CB-CB 4.37Å; A65-P75 HydrophobicContact CB-CG 4.46Å; A65-P75 WeakPolarHBondContact O-CG 3.31Å; L68-P75 HydrophobicContact CB-CB 4.25Å; L68-P75 HydrophobicContact CB-CG 4.18Å; L68-P75 HydrophobicContact CD1-CB 4.43Å; K69-P75 HydrophobicContact CB-CG 3.99Å; L73-P75 VanDerWaalsContact C-CD 3.43Å; L73-P75 WeakPolarHBondContact O-CD 3.45Å; P75-R273 WeakPolarHBondContact O-CB 3.28Å; P75-R273 VanDerWaalsContact O-CD 3.31Å; P75-R273 WeakPolarHBondContact O-CD 3.42Å; P75-R273 VanDerWaalsContact O-CG 3.31Å; P75-R273 WeakPolarHBondContact O-CG 3.34Å
76	V	98.8	Very high	98.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.6	162.7	64.8	0	0	0	0	109.6	Y50 V52 V53 V54 L78 R273 K275 Y300	Y50-V76 HydrophobicContact CD1-CB 3.6Å; Y50-V76 HydrophobicContact CD1-CG1 3.82Å; Y50-V76 HydrophobicContact CD2-CB 4.15Å; Y50-V76 HydrophobicContact CD2-CG1 3.55Å; Y50-V76 HydrophobicContact CE1-CB 3.56Å; Y50-V76 HydrophobicContact CE1-CG1 4.08Å; Y50-V76 HydrophobicContact CE1-CG2 4.08Å; Y50-V76 HydrophobicContact CE2-CB 4.13Å; Y50-V76 HydrophobicContact CE2-CG1 3.83Å; Y50-V76 HydrophobicContact CE2-CG2 4.42Å; Y50-V76 HydrophobicContact CG-CB 3.89Å; Y50-V76 HydrophobicContact CG-CG1 3.53Å; V52-V76 PolarHBondContact O-N 3.22Å; V53-V76 CarbonylContact C-O 3.58Å; V53-V76 HydrophobicContact CB-CG1 4.2Å; V53-V76 HydrophobicContact CG1-CG1 4.48Å; V53-V76 HydrophobicContact CG2-CG1 3.51Å; V54-V76 PolarHBondContact N-O 3.13Å; V76-L78 HydrophobicContact CG2-CD2 4.03Å; V76-R273 CarbonylContact C-O 3.59Å; V76-R273 WeakPolarHBondContact CA-O 3.12Å; V76-R273 VanDerWaalsContact CG2-O 3.3Å; V76-R273 WeakPolarHBondContact CG2-O 3.46Å; V76-K275 HydrophobicContact CG2-CG 3.92Å; V76-Y300 HydrophobicContact CG1-CD1 4.3Å; V76-Y300 HydrophobicContact CG2-CD1 4.46Å; V76-Y300 HydrophobicContact CG2-CE1 4.34Å
77	V	98.9	Very high	98.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.7	176.7	-170.4	0	0	0	0	108.7	V54 A57 A65 L270 R273 V274 K275	V54-V77 HydrophobicContact CB-CG2 4.28Å; V54-V77 CarbonylContact O-C 3.58Å; V54-V77 WeakPolarHBondContact O-CA 3.29Å; A57-V77 HydrophobicContact CB-CG1 3.69Å; A65-V77 HydrophobicContact CB-CG2 3.4Å; V77-L270 HydrophobicContact CG2-CD1 4.19Å; V77-R273 PolarHBondContact N-O 3.15Å; V77-V274 HydrophobicContact CB-CG2 4.29Å; V77-V274 HydrophobicContact CG2-CG2 4.37Å; V77-K275 PolarHBondContact O-N 3.14Å
78	L	98.9	Very high	98.6	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	113.8	177	-53.6	-177.7	0	0	0	108.9	V53 V54 G56 V76 K275 V280 V292 T294 Y300	V53-L78 HydrophobicContact CG1-CD1 3.72Å; V53-L78 HydrophobicContact CG1-CG 4.06Å; V54-L78 PolarHBondContact O-N 3.3Å; G56-L78 PolarHBondContact N-O 3.18Å; V76-L78 HydrophobicContact CG2-CD2 4.03Å; L78-K275 HydrophobicContact CD2-CB 3.93Å; L78-K275 HydrophobicContact CD2-CG 4.05Å; L78-V280 HydrophobicContact CB-CG2 3.99Å; L78-V280 HydrophobicContact CD1-CG2 3.71Å; L78-V292 HydrophobicContact CD1-CG1 3.9Å; L78-T294 HydrophobicContact CD1-CG2 4.05Å; L78-Y300 HydrophobicContact CD1-CD2 3.78Å; L78-Y300 HydrophobicContact CD1-CE2 4.15Å; L78-Y300 HydrophobicContact CD1-CG 4.03Å; L78-Y300 HydrophobicContact CD2-CD1 3.96Å; L78-Y300 HydrophobicContact CD2-CD2 4.12Å; L78-Y300 HydrophobicContact CD2-CE1 3.66Å; L78-Y300 HydrophobicContact CD2-CE2 3.83Å; L78-Y300 HydrophobicContact CD2-CG 4.2Å
79	E	98.9	Very high	98.6	Very high	9 Å²	9	32.1 Å²	32.1	4%	0.042	19%	0.194	C	C	.	.			trans	-112.5	129.4	-178.2	172.9	48.4	-129.7	0	0	110.3	A57 R81 R83 K275 L276 Q277 S278	A57-E79 WeakPolarHBondContact CA-OE2 3.32Å; A57-E79 HydrophobicContact CB-CB 3.62Å; A57-E79 HydrophobicContact CB-CG 3.89Å; A57-E79 PolarHBondContact N-OE2 2.9Å; E79-R81 VanDerWaalsContact C-N 3.32Å; E79-R81 HydrophobicContact CG-CB 4.41Å; E79-R81 PolarHBondContact O-N 2.94Å; E79-R81 VanDerWaalsContact OE1-CB 3.32Å; E79-R81 WeakPolarHBondContact OE1-CB 3.34Å; E79-R81 VanDerWaalsContact OE1-CG 3.3Å; E79-R81 WeakPolarHBondContact OE1-CG 3.3Å; E79-R81 PolarHBondContact OE1-N 2.84Å; E79-R83 VanDerWaalsContact CG-O 3.32Å; E79-R83 WeakPolarHBondContact CG-O 3.48Å; E79-K275 PolarHBondContact N-O 3.43Å; E79-L276 HydrophobicContact CB-CD2 3.93Å; E79-L276 HydrophobicContact CG-CD2 3.8Å; E79-L276 CarbonylContact O-C 3.43Å; E79-Q277 PolarHBondContact O-N 3.5Å; E79-S278 PolarHBondContact O-N 3.27Å
80	A	98.8	Very high	98.6	Very high	21 Å²	21	29.1 Å²	29.1	17%	0.174	18%	0.182	C	C	.	.	S	Bend	trans	-66.1	-34.8	-178.1	0	0	0	0	0	113.1	P279 Y438	A80-P279 HydrophobicContact CB-CB 3.78Å; A80-Y438 HydrophobicContact CB-CD1 3.36Å; A80-Y438 HydrophobicContact CB-CD2 3.88Å; A80-Y438 HydrophobicContact CB-CE1 3.47Å; A80-Y438 VanDerWaalsContact CB-CE1 3.47Å; A80-Y438 HydrophobicContact CB-CE2 4Å; A80-Y438 HydrophobicContact CB-CG 3.58Å
81	R	98.7	Very high	98.6	Very high	22 Å²	22	27 Å²	27	8%	0.083	16%	0.16	C	C	.	.	S	Bend	trans	-88.6	171.3	-175.2	-56.5	176.1	-166.2	-143.2	-0.3	112.2	E79 R83 L276 Q277 E436 Y438 S439	E79-R81 VanDerWaalsContact C-N 3.32Å; E79-R81 HydrophobicContact CG-CB 4.41Å; E79-R81 PolarHBondContact O-N 2.94Å; E79-R81 VanDerWaalsContact OE1-CB 3.32Å; E79-R81 WeakPolarHBondContact OE1-CB 3.34Å; E79-R81 VanDerWaalsContact OE1-CG 3.3Å; E79-R81 WeakPolarHBondContact OE1-CG 3.3Å; E79-R81 PolarHBondContact OE1-N 2.84Å; R81-R83 HydrophobicContact CB-CG 4.25Å; R81-R83 PolarHBondContact O-N 3.19Å; R81-L276 WeakPolarHBondContact O-CB 3.11Å; R81-Q277 PolarHBondContact O-N 3.2Å; R81-E436 IonicContact CZ-OE2 3.92Å; R81-E436 IonicContact NH1-OE2 3.48Å; R81-E436 PolarHBondContact NH1-OE2 3.28Å; R81-E436 IonicContact NH2-OE2 3.21Å; R81-Y438 HydrophobicContact CG-CD2 4.25Å; R81-Y438 PolarHBondContact NH2-O 2.85Å; R81-S439 PolarHBondContact NH2-OG 2.95Å
82	D	98.4	Very high	98.6	Very high	118 Å²	118	30.3 Å²	30.3	63%	0.631	17%	0.166	S	C	*	.	S	Bend	trans	-76.7	8.1	167.5	65	-14.8	0	0	0	113.6	Q277	D82-Q277 HydrophobicContact CB-CG 4.14Å
83	R	98.7	Very high	98.5	Very high	42 Å²	42	29.3 Å²	29.3	16%	0.158	15%	0.146	C	C	.	.	S	Bend	trans	-149.5	155	-179.3	64.6	170.3	-174.3	77.9	-4.6	112.1	E79 R81 G86	E79-R83 VanDerWaalsContact CG-O 3.32Å; E79-R83 WeakPolarHBondContact CG-O 3.48Å; R81-R83 HydrophobicContact CB-CG 4.25Å; R81-R83 PolarHBondContact O-N 3.19Å; R83-G86 PolarHBondContact NH1-O 3.29Å; R83-G86 PolarHBondContact NH2-O 3.32Å
84	V	98.9	Very high	98.4	Very high	19 Å²	19	38 Å²	38	12%	0.115	18%	0.183	C	C	.	.	S	Bend	trans	-82.8	175.9	168.6	-59.6	0	0	0	0	112.3	A57 L62 E264 A267 V274 L276	A57-V84 HydrophobicContact CB-CB 4.1Å; A57-V84 HydrophobicContact CB-CG1 3.67Å; L62-V84 HydrophobicContact CD1-CB 4.16Å; V84-E264 HydrophobicContact CG2-CG 4.34Å; V84-A267 HydrophobicContact CG1-CB 3.89Å; V84-A267 HydrophobicContact CG2-CB 4.15Å; V84-V274 HydrophobicContact CG1-CG1 3.88Å; V84-L276 HydrophobicContact CG1-CD2 3.9Å
85	G	98.6	Very high	98.4	Very high	3 Å²	3	40.2 Å²	40.2	3%	0.031	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	96.1	-21.2	171.8	0	0	0	0	0	115.2	A57 R87 T88 S263	A57-G85 PolarHBondContact O-N 3.4Å; G85-R87 PolarHBondContact O-N 3.28Å; G85-T88 CarbonylContact C-O 3.58Å; G85-T88 PolarHBondContact O-N 3.35Å; G85-T88 PolarHBondContact O-OG1 3.29Å; G85-S263 WeakPolarHBondContact CA-OG 3.49Å
86	G	98.4	Very high	98.2	Very high	11 Å²	11	40.2 Å²	40.2	11%	0.113	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	-110.9	178.1	0	0	0	0	0	112	R83 T88	R83-G86 PolarHBondContact NH1-O 3.29Å; R83-G86 PolarHBondContact NH2-O 3.32Å; G86-T88 VanDerWaalsContact C-N 3.29Å; G86-T88 PolarHBondContact O-N 2.84Å
87	R	98.8	Very high	98.2	Very high	46 Å²	46	44.3 Å²	44.3	17%	0.174	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.1	-180	-69.7	175.2	-79.3	-179.3	-13.2	115	G85 G102 G103 W433 C442 Y443 E472	G85-R87 PolarHBondContact O-N 3.28Å; R87-G102 VanDerWaalsContact O-CA 3.27Å; R87-G102 WeakPolarHBondContact O-CA 3.31Å; R87-G103 PolarHBondContact O-N 3.42Å; R87-W433 HydrophobicContact CB-CZ3 4.45Å; R87-W433 HydrophobicContact CG-CZ3 4.31Å; R87-C442 VanDerWaalsContact CG-SG 3.57Å; R87-Y443 WeakPolarHBondContact CD-O 3.15Å; R87-Y443 PolarHBondContact NH1-O 2.86Å; R87-E472 IonicContact CZ-OE1 2.75Å; R87-E472 IonicContact NH1-OE1 2.7Å; R87-E472 PolarHBondContact NH1-OE1 3.45Å; R87-E472 IonicContact NH2-OE1 2.94Å; R87-E472 PolarHBondContact NH2-OE1 2.82Å; R87-E472 IonicContact NH2-OE2 3.48Å; R87-E472 PolarHBondContact NH2-OE2 3.5Å
88	T	98.8	Very high	98.2	Very high	6 Å²	6	46.3 Å²	46.3	4%	0.037	22%	0.217	C	C	.	.			trans	-99.7	121	162.6	56	0	0	0	0	108.8	I59 G85 G86 S260 M481	I59-T88 HydrophobicContact CD1-CG2 3.76Å; G85-T88 CarbonylContact C-O 3.58Å; G85-T88 PolarHBondContact O-N 3.35Å; G85-T88 PolarHBondContact O-OG1 3.29Å; G86-T88 VanDerWaalsContact C-N 3.29Å; G86-T88 PolarHBondContact O-N 2.84Å; T88-S260 PolarHBondContact O-OG 3.37Å; T88-M481 HydrophobicContact CG2-CG 3.87Å; T88-M481 HydrophobicContact CG2-SD 3.63Å
89	F	98.8	Very high	98.1	Very high	50 Å²	50	46.2 Å²	46.2	22%	0.219	22%	0.217	C	C	.	.			trans	-142.9	108.7	-176.7	-177.8	-135.3	0	0	0	110.7	V91 D100 L101 G102 S260 W433	F89-V91 HydrophobicContact CD1-CG2 4.25Å; F89-V91 HydrophobicContact CE1-CG2 3.59Å; F89-V91 HydrophobicContact CE2-CG2 4.42Å; F89-V91 HydrophobicContact CZ-CG2 3.69Å; F89-D100 CarbonylContact O-C 3.58Å; F89-L101 HydrophobicContact CD1-CB 4.11Å; F89-L101 HydrophobicContact CD1-CD1 4.18Å; F89-L101 HydrophobicContact CE1-CD1 4.1Å; F89-L101 PolarHBondContact O-N 3.22Å; F89-G102 PolarHBondContact O-N 2.69Å; F89-S260 VanDerWaalsContact CA-OG 3.27Å; F89-S260 WeakPolarHBondContact CA-OG 3.22Å; F89-W433 HydrophobicContact CB-CH2 4.01Å; F89-W433 HydrophobicContact CB-CZ2 4.17Å
90	T	98.8	Very high	98.1	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.043	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	117.2	175.7	-51.5	0	0	0	0	109.8	R92 W98 V99 D100 G258 S259 S260	T90-R92 HydrophobicContact CG2-CG 4.19Å; T90-W98 HydrophobicContact CG2-CB 3.9Å; T90-V99 CarbonylContact C-O 3.58Å; T90-V99 VanDerWaalsContact CA-O 3.27Å; T90-V99 WeakPolarHBondContact CA-O 3.47Å; T90-D100 PolarHBondContact OG1-OD1 3.44Å; T90-G258 WeakPolarHBondContact OG1-CA 3.49Å; T90-S259 PolarHBondContact OG1-N 3.31Å; T90-S260 PolarHBondContact N-OG 2.83Å; T90-S260 WeakPolarHBondContact OG1-CB 3.5Å; T90-S260 PolarHBondContact OG1-N 2.89Å; T90-S260 PolarHBondContact OG1-OG 2.93Å
91	V	98.3	Very high	98.1	Very high	33 Å²	33	45.1 Å²	45.1	20%	0.2	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	139.9	167.9	170.8	0	0	0	0	109	F89 W98 V99 L101	F89-V91 HydrophobicContact CD1-CG2 4.25Å; F89-V91 HydrophobicContact CE1-CG2 3.59Å; F89-V91 HydrophobicContact CE2-CG2 4.42Å; F89-V91 HydrophobicContact CZ-CG2 3.69Å; V91-W98 CarbonylContact O-C 3.51Å; V91-W98 VanDerWaalsContact O-CA 3.22Å; V91-W98 WeakPolarHBondContact O-CA 3.24Å; V91-V99 HydrophobicContact CB-CG1 3.92Å; V91-V99 HydrophobicContact CG1-CG1 4.44Å; V91-V99 PolarHBondContact N-O 3.09Å; V91-V99 PolarHBondContact O-N 3.27Å; V91-L101 HydrophobicContact CB-CD1 4.26Å; V91-L101 HydrophobicContact CB-CG 4.4Å; V91-L101 HydrophobicContact CG2-CD1 3.39Å; V91-L101 HydrophobicContact CG2-CG 3.9Å
92	R	97.9	Very high	98.1	Very high	112 Å²	112	44.5 Å²	44.5	42%	0.423	21%	0.208	S	C	.	.			trans	-127.9	118.2	179.3	-60.6	178.4	-177.9	100.6	-12	108.8	T90 K97 W98 Q261 E264	T90-R92 HydrophobicContact CG2-CG 4.19Å; R92-K97 WeakPolarHBondContact CA-O 3.42Å; R92-W98 HydrophobicContact CG-CB 4.11Å; R92-Q261 VanDerWaalsContact NH2-CG 3.35Å; R92-E264 IonicContact CZ-OE1 2.57Å; R92-E264 IonicContact CZ-OE2 2.7Å; R92-E264 IonicContact NH1-OE1 3.87Å; R92-E264 PolarHBondContact NH1-OE1 3.35Å; R92-E264 IonicContact NH1-OE2 2.69Å; R92-E264 IonicContact NH2-OE1 3.73Å; R92-E264 PolarHBondContact NH2-OE1 2.96Å; R92-E264 IonicContact NH2-OE2 3.63Å; R92-E264 PolarHBondContact NH2-OE2 2.89Å
93	N	97	Very high	98.1	Very high	45 Å²	45	40.4 Å²	40.4	24%	0.241	19%	0.194	C	C	.	.			trans	-151.7	176.2	178.6	61.1	31.8	0	0	0	110.2	E95 T96 K97 E429	N93-E95 VanDerWaalsContact C-N 3.31Å; N93-E95 WeakPolarHBondContact CB-OE2 3.49Å; N93-E95 PolarHBondContact O-N 3.31Å; N93-E95 PolarHBondContact OD1-N 2.65Å; N93-E95 PolarHBondContact OD1-OE2 3.3Å; N93-T96 VanDerWaalsContact OD1-CB 3.31Å; N93-T96 WeakPolarHBondContact OD1-CB 3.21Å; N93-T96 VanDerWaalsContact OD1-CG2 3.28Å; N93-T96 WeakPolarHBondContact OD1-CG2 3.49Å; N93-T96 PolarHBondContact OD1-N 3.05Å; N93-T96 PolarHBondContact OD1-OG1 3.4Å; N93-K97 VanDerWaalsContact O-CA 3.28Å; N93-K97 WeakPolarHBondContact O-CA 3.5Å; N93-K97 PolarHBondContact O-N 3.16Å; N93-E429 PolarHBondContact ND2-OE1 2.88Å
94	K	96.3	Very high	98.1	Very high	196 Å²	196	38.5 Å²	38.5	85%	0.852	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-34.2	-174.4	-69.1	-178	179.6	178	0	111.9
95	E	96.3	Very high	98.1	Very high	102 Å²	102	38.8 Å²	38.8	48%	0.477	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-39.1	-174.3	-61.4	69.4	-151.5	0	0	111	N93 V382 H427	N93-E95 VanDerWaalsContact C-N 3.31Å; N93-E95 WeakPolarHBondContact CB-OE2 3.49Å; N93-E95 PolarHBondContact O-N 3.31Å; N93-E95 PolarHBondContact OD1-N 2.65Å; N93-E95 PolarHBondContact OD1-OE2 3.3Å; E95-V382 WeakPolarHBondContact O-CG1 3.3Å; E95-H427 HydrophobicContact CB-CB 4.44Å
96	T	96.3	Very high	98.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-14.8	-172.3	68.8	0	0	0	0	114.1	N93 W98 V99 Y345 K377 E429	N93-T96 VanDerWaalsContact OD1-CB 3.31Å; N93-T96 WeakPolarHBondContact OD1-CB 3.21Å; N93-T96 VanDerWaalsContact OD1-CG2 3.28Å; N93-T96 WeakPolarHBondContact OD1-CG2 3.49Å; N93-T96 PolarHBondContact OD1-N 3.05Å; N93-T96 PolarHBondContact OD1-OG1 3.4Å; T96-W98 PolarHBondContact O-N 3.41Å; T96-V99 HydrophobicContact CG2-CG1 4.19Å; T96-Y345 HydrophobicContact CG2-CE1 3.8Å; T96-Y345 HydrophobicContact CG2-CE2 3.75Å; T96-Y345 WeakPolarHBondContact CG2-OH 3.5Å; T96-K377 WeakPolarHBondContact O-CE 3.34Å; T96-K377 PolarHBondContact O-NZ 2.93Å; T96-K377 VanDerWaalsContact O-NZ 3.08Å; T96-E429 HydrophobicContact CG2-CG 3.98Å
97	K	97.5	Very high	98.2	Very high	87 Å²	87	38.1 Å²	38.1	38%	0.378	18%	0.18	S	C	.	.	S	Bend	trans	59.1	-66.4	-157.7	-59.3	176.6	171.9	176.9	0	111.4	R92 N93 D379 T381 V382	R92-K97 WeakPolarHBondContact CA-O 3.42Å; N93-K97 VanDerWaalsContact O-CA 3.28Å; N93-K97 WeakPolarHBondContact O-CA 3.5Å; N93-K97 PolarHBondContact O-N 3.16Å; K97-D379 IonicContact NZ-OD1 2.68Å; K97-D379 IonicContact NZ-OD2 2.62Å; K97-D379 PolarHBondContact NZ-OD2 2.87Å; K97-T381 PolarHBondContact NZ-OG1 2.93Å; K97-V382 HydrophobicContact CD-CG2 4.15Å; K97-V382 HydrophobicContact CG-CG2 4.15Å
98	W	98.4	Very high	98.1	Very high	42 Å²	42	36 Å²	36	16%	0.159	17%	0.171	C	C	.	.			trans	-149.2	152	168	68.8	94.8	0	0	0	110.5	T90 V91 R92 T96 G257 K377	T90-W98 HydrophobicContact CG2-CB 3.9Å; V91-W98 CarbonylContact O-C 3.51Å; V91-W98 VanDerWaalsContact O-CA 3.22Å; V91-W98 WeakPolarHBondContact O-CA 3.24Å; R92-W98 HydrophobicContact CG-CB 4.11Å; T96-W98 PolarHBondContact O-N 3.41Å; W98-G257 VanDerWaalsContact CD1-C 3.41Å; W98-K377 HydrophobicContact CD2-CD 4.13Å; W98-K377 HydrophobicContact CE3-CD 4.36Å; W98-K377 HydrophobicContact CH2-CD 3.79Å; W98-K377 HydrophobicContact CZ2-CD 3.53Å; W98-K377 HydrophobicContact CZ3-CD 4.2Å; W98-K377 WeakPolarHBondContact O-CE 3.33Å; W98-K377 PolarHBondContact O-NZ 2.97Å
99	V	98.7	Very high	98.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	132	174.1	59	0	0	0	0	110.7	T90 V91 T96 L101 M343 Y345 E429	T90-V99 CarbonylContact C-O 3.58Å; T90-V99 VanDerWaalsContact CA-O 3.27Å; T90-V99 WeakPolarHBondContact CA-O 3.47Å; V91-V99 HydrophobicContact CB-CG1 3.92Å; V91-V99 HydrophobicContact CG1-CG1 4.44Å; V91-V99 PolarHBondContact N-O 3.09Å; V91-V99 PolarHBondContact O-N 3.27Å; T96-V99 HydrophobicContact CG2-CG1 4.19Å; V99-L101 HydrophobicContact CG1-CD2 3.96Å; V99-L101 HydrophobicContact CG1-CG 4.44Å; V99-L101 HydrophobicContact CG2-CD2 4.07Å; V99-L101 PolarHBondContact O-N 3.14Å; V99-M343 HydrophobicContact CG2-CB 4.32Å; V99-M343 HydrophobicContact CG2-CE 4.37Å; V99-M343 HydrophobicContact CG2-CG 3.67Å; V99-M343 HydrophobicContact CG2-SD 4.25Å; V99-Y345 VanDerWaalsContact CB-OH 3.25Å; V99-Y345 WeakPolarHBondContact CB-OH 3.43Å; V99-Y345 WeakPolarHBondContact CG2-OH 3.44Å; V99-E429 HydrophobicContact CG1-CG 4.41Å
100	D	98.8	Very high	98.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	103.5	173	-70.7	-57.4	0	0	0	110	F89 T90 G102 A104 G258 S259 K341	F89-D100 CarbonylContact O-C 3.58Å; T90-D100 PolarHBondContact OG1-OD1 3.44Å; D100-G102 VanDerWaalsContact C-N 3.25Å; D100-A104 HydrophobicContact CB-CB 3.5Å; D100-G258 WeakPolarHBondContact OD1-CA 3.38Å; D100-G258 WeakPolarHBondContact OD2-CA 3.15Å; D100-S259 WeakPolarHBondContact OD1-CB 3.39Å; D100-S259 PolarHBondContact OD1-N 3.43Å; D100-S259 PolarHBondContact OD1-OG 2.96Å; D100-S259 PolarHBondContact OD2-N 2.9Å; D100-K341 WeakPolarHBondContact O-CE 3.09Å; D100-K341 PolarHBondContact O-NZ 3.09Å
101	L	98.6	Very high	98.1	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.037	18%	0.176	C	C	.	.	S	Bend	trans	-78.1	-13.4	172.6	-57.9	-169.2	0	0	0	112.5	F89 V91 V99 K341 M343 E429 K431 W433	F89-L101 HydrophobicContact CD1-CB 4.11Å; F89-L101 HydrophobicContact CD1-CD1 4.18Å; F89-L101 HydrophobicContact CE1-CD1 4.1Å; F89-L101 PolarHBondContact O-N 3.22Å; V91-L101 HydrophobicContact CB-CD1 4.26Å; V91-L101 HydrophobicContact CB-CG 4.4Å; V91-L101 HydrophobicContact CG2-CD1 3.39Å; V91-L101 HydrophobicContact CG2-CG 3.9Å; V99-L101 HydrophobicContact CG1-CD2 3.96Å; V99-L101 HydrophobicContact CG1-CG 4.44Å; V99-L101 HydrophobicContact CG2-CD2 4.07Å; V99-L101 PolarHBondContact O-N 3.14Å; L101-K341 WeakPolarHBondContact O-CD 3.45Å; L101-M343 HydrophobicContact CD2-CE 3.09Å; L101-M343 HydrophobicContact CD2-SD 4.4Å; L101-M343 HydrophobicContact CG-CE 4.48Å; L101-E429 HydrophobicContact CD2-CB 4.04Å; L101-K431 HydrophobicContact CB-CB 3.81Å; L101-K431 HydrophobicContact CB-CG 4.39Å; L101-K431 HydrophobicContact CD1-CB 4.19Å; L101-W433 PolarHBondContact O-NE1 3.03Å
102	G	98.6	Very high	98.2	Very high	8 Å²	8	35.2 Å²	35.2	8%	0.082	17%	0.169	C	C	.	.	S	Bend	trans	-108.3	-147.5	175.1	0	0	0	0	0	114.2	R87 F89 D100 A104 K341	R87-G102 VanDerWaalsContact O-CA 3.27Å; R87-G102 WeakPolarHBondContact O-CA 3.31Å; F89-G102 PolarHBondContact O-N 2.69Å; D100-G102 VanDerWaalsContact C-N 3.25Å; G102-A104 PolarHBondContact O-N 2.92Å; G102-K341 PolarHBondContact O-NZ 3.11Å
103	G	98.4	Very high	98.2	Very high	33 Å²	33	29.9 Å²	29.9	34%	0.34	15%	0.149	S	C	.	.			trans	-59	132.7	171.6	0	0	0	0	0	111.2	R87 S259	R87-G103 PolarHBondContact O-N 3.42Å; G103-S259 VanDerWaalsContact O-CB 3.29Å; G103-S259 WeakPolarHBondContact O-CB 3.32Å; G103-S259 PolarHBondContact O-OG 3.35Å
104	A	98.8	Very high	98.3	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.008	14%	0.14	C	C	.	.			trans	-136.9	-30.4	-171.9	0	0	0	0	0	113.7	D100 G102 K254	D100-A104 HydrophobicContact CB-CB 3.5Å; G102-A104 PolarHBondContact O-N 2.92Å; A104-K254 HydrophobicContact CB-CG 4.49Å
105	Y	98.8	Very high	98.4	Very high	26 Å²	26	22.1 Å²	22.1	10%	0.102	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	141.2	-168	-55.7	-77.3	0	0	0	112.1	V127 Q251 R253 K254 L373 M386 F388 M481	Y105-V127 HydrophobicContact CD1-CG2 3.97Å; Y105-V127 HydrophobicContact CE1-CG2 3.87Å; Y105-Q251 HydrophobicContact CD1-CB 4.49Å; Y105-R253 CarbonylContact C-O 3.51Å; Y105-R253 VanDerWaalsContact CA-O 3.3Å; Y105-R253 WeakPolarHBondContact CA-O 3.4Å; Y105-K254 HydrophobicContact CD1-CD 4.25Å; Y105-K254 HydrophobicContact CD1-CG 3.81Å; Y105-K254 HydrophobicContact CE1-CD 3.84Å; Y105-K254 HydrophobicContact CE1-CG 3.94Å; Y105-L373 HydrophobicContact CE1-CD2 4.23Å; Y105-M386 HydrophobicContact CE2-CE 4.07Å; Y105-M386 WeakPolarHBondContact OH-CE 2.91Å; Y105-F388 HydrophobicContact CE2-CZ 4.36Å; Y105-M481 WeakPolarHBondContact O-CE 3.32Å
106	I	98.8	Very high	98.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	161.9	172.4	49.2	155.7	0	0	0	109.4	Q110 I113 L114 T124 G250 R253 F255 M481	I106-Q110 VanDerWaalsContact CA-OE1 3.31Å; I106-I113 HydrophobicContact CG2-CG1 4.21Å; I106-I113 HydrophobicContact CG2-CG2 3.75Å; I106-L114 HydrophobicContact CD1-CD2 3.61Å; I106-T124 HydrophobicContact CD1-CG2 3.54Å; I106-G250 CarbonylContact C-O 3.38Å; I106-R253 HydrophobicContact CD1-CB 4.39Å; I106-R253 HydrophobicContact CG1-CB 4.01Å; I106-R253 PolarHBondContact N-O 2.6Å; I106-R253 WeakPolarHBondContact O-CA 3.43Å; I106-R253 WeakPolarHBondContact O-CB 3.29Å; I106-R253 PolarHBondContact O-N 2.82Å; I106-F255 HydrophobicContact CB-CZ 4.44Å; I106-F255 HydrophobicContact CD1-CD1 4.1Å; I106-F255 HydrophobicContact CD1-CE1 3.34Å; I106-F255 HydrophobicContact CD1-CE2 4.19Å; I106-F255 HydrophobicContact CD1-CZ 3.41Å; I106-F255 VanDerWaalsContact CD1-CZ 3.41Å; I106-F255 HydrophobicContact CG1-CE1 4.27Å; I106-F255 HydrophobicContact CG1-CE2 4.29Å; I106-F255 HydrophobicContact CG1-CZ 3.95Å; I106-F255 HydrophobicContact CG2-CE2 3.87Å; I106-F255 HydrophobicContact CG2-CZ 3.71Å; I106-M481 HydrophobicContact CG2-CE 3.65Å
107	G	98.6	Very high	98.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.09	C	C	.	.			trans	-163.5	-172.5	-180	0	0	0	0	0	113.5	Q110 G249	G107-Q110 WeakPolarHBondContact O-CB 3.41Å; G107-Q110 PolarHBondContact O-N 3.32Å; G107-G249 WeakPolarHBondContact CA-O 3.47Å
108	P	98.7	Very high	98.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	152.2	177.9	-19.7	29.4	0	0	0	112.3	Q110 G249 V517 A519	P108-Q110 PolarHBondContact O-N 3.4Å; P108-G249 WeakPolarHBondContact CD-O 3.23Å; P108-V517 HydrophobicContact CB-CG1 4.37Å; P108-V517 HydrophobicContact CG-CG1 3.88Å; P108-A519 HydrophobicContact CB-CB 3.79Å
109	T	98.6	Very high	98.7	Very high	45 Å²	45	21.7 Å²	21.7	28%	0.276	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	-7.9	-172.1	76.5	0	0	0	0	116	N111 W477 A519	T109-N111 PolarHBondContact O-N 3.12Å; T109-N111 VanDerWaalsContact O-N 3.16Å; T109-W477 VanDerWaalsContact OG1-CZ2 3.32Å; T109-W477 WeakPolarHBondContact OG1-CZ2 3.2Å; T109-W477 PolarHBondContact OG1-NE1 2.88Å; T109-A519 HydrophobicContact CG2-CB 3.5Å; T109-A519 VanDerWaalsContact CG2-CB 3.5Å
110	Q	98.8	Very high	98.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.			trans	-89.3	58.1	172.3	-62	-176.3	16.6	0	0	110.8	I106 G107 P108 R112 I113 L114 W477 E482	I106-Q110 VanDerWaalsContact CA-OE1 3.31Å; G107-Q110 WeakPolarHBondContact O-CB 3.41Å; G107-Q110 PolarHBondContact O-N 3.32Å; P108-Q110 PolarHBondContact O-N 3.4Å; Q110-R112 PolarHBondContact O-N 2.9Å; Q110-I113 HydrophobicContact CB-CG2 3.84Å; Q110-I113 VanDerWaalsContact O-CG2 3.3Å; Q110-I113 WeakPolarHBondContact O-CG2 3.3Å; Q110-L114 WeakPolarHBondContact O-CB 3.48Å; Q110-L114 VanDerWaalsContact O-CD1 3.32Å; Q110-L114 WeakPolarHBondContact O-CD1 3.26Å; Q110-L114 WeakPolarHBondContact O-CG 3.41Å; Q110-L114 PolarHBondContact O-N 3.41Å; Q110-W477 HydrophobicContact CG-CD2 3.68Å; Q110-W477 HydrophobicContact CG-CE3 4.24Å; Q110-W477 HydrophobicContact CG-CG 3.91Å; Q110-W477 HydrophobicContact CG-CH2 4.5Å; Q110-W477 HydrophobicContact CG-CZ2 3.97Å; Q110-W477 VanDerWaalsContact NE2-CE3 3.26Å; Q110-E482 WeakPolarHBondContact CA-OE2 3.32Å; Q110-E482 HydrophobicContact CB-CB 3.91Å; Q110-E482 HydrophobicContact CB-CG 4.12Å; Q110-E482 HydrophobicContact CG-CB 3.97Å; Q110-E482 HydrophobicContact CG-CG 4.27Å
111	N	98.8	Very high	98.6	Very high	23 Å²	23	27 Å²	27	12%	0.123	15%	0.15	C	C	.	.	H	α-helix	trans	-70.5	-30.3	-164.3	-65.3	-41.6	0	0	0	113.6	T109 L114 R115 E482 E511 P512 S514	T109-N111 PolarHBondContact O-N 3.12Å; T109-N111 VanDerWaalsContact O-N 3.16Å; N111-L114 PolarHBondContact O-N 2.86Å; N111-R115 WeakPolarHBondContact O-CB 3.44Å; N111-R115 PolarHBondContact O-N 3.4Å; N111-E482 PolarHBondContact N-OE2 3.42Å; N111-E511 HydrophobicContact CB-CB 4.13Å; N111-E511 HydrophobicContact CB-CG 3.47Å; N111-E511 VanDerWaalsContact CB-CG 3.47Å; N111-P512 WeakPolarHBondContact CB-O 3.44Å; N111-S514 PolarHBondContact OD1-N 3.38Å
112	R	98.9	Very high	98.6	Very high	13 Å²	13	27.4 Å²	27.4	5%	0.049	15%	0.152	C	C	.	.	H	α-helix	trans	-73.3	-42.8	-175.5	-61.1	176.2	178.9	87.1	-0.2	111.3	Q110 L114 R115 L116 E476 E482 V485 Q509 E511	Q110-R112 PolarHBondContact O-N 2.9Å; R112-L114 VanDerWaalsContact C-N 3.33Å; R112-R115 WeakPolarHBondContact O-CB 3.4Å; R112-R115 PolarHBondContact O-N 3.47Å; R112-L116 PolarHBondContact O-N 3.49Å; R112-E476 IonicContact CZ-OE2 3.92Å; R112-E476 IonicContact NH1-OE2 2.95Å; R112-E476 PolarHBondContact NH1-OE2 3.47Å; R112-E476 IonicContact NH2-OE2 2.65Å; R112-E476 PolarHBondContact NH2-OE2 3.41Å; R112-E482 WeakPolarHBondContact CA-OE2 3.21Å; R112-E482 WeakPolarHBondContact CB-OE1 3.23Å; R112-E482 WeakPolarHBondContact CB-OE2 3.31Å; R112-E482 VanDerWaalsContact CD-OE1 3.31Å; R112-E482 WeakPolarHBondContact CD-OE1 3.47Å; R112-E482 WeakPolarHBondContact CG-OE1 3.5Å; R112-E482 IonicContact CZ-OE1 3.34Å; R112-E482 PolarHBondContact N-OE1 3.1Å; R112-E482 PolarHBondContact N-OE2 3Å; R112-E482 IonicContact NE-OE1 2.84Å; R112-E482 IonicContact NH1-OE1 2.81Å; R112-E482 PolarHBondContact NH1-OE1 2.75Å; R112-V485 HydrophobicContact CB-CB 3.99Å; R112-V485 HydrophobicContact CB-CG1 3.72Å; R112-Q509 PolarHBondContact NH2-O 2.95Å; R112-E511 HydrophobicContact CB-CG 4.36Å; R112-E511 HydrophobicContact CG-CB 3.63Å; R112-E511 HydrophobicContact CG-CG 3.55Å
113	I	98.8	Very high	98.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-69.1	-34.7	175.1	-169.4	65.5	0	0	0	111.5	I59 I106 Q110 L116 A117 F255 I262 M481 E482 V485	I59-I113 HydrophobicContact CD1-CD1 4.34Å; I59-I113 HydrophobicContact CG2-CD1 4.48Å; I106-I113 HydrophobicContact CG2-CG1 4.21Å; I106-I113 HydrophobicContact CG2-CG2 3.75Å; Q110-I113 HydrophobicContact CB-CG2 3.84Å; Q110-I113 VanDerWaalsContact O-CG2 3.3Å; Q110-I113 WeakPolarHBondContact O-CG2 3.3Å; I113-L116 HydrophobicContact CD1-CD1 4.39Å; I113-L116 PolarHBondContact O-N 3.29Å; I113-A117 PolarHBondContact O-N 2.89Å; I113-F255 HydrophobicContact CG1-CZ 3.93Å; I113-I262 HydrophobicContact CD1-CD1 4.48Å; I113-I262 HydrophobicContact CD1-CG1 4.34Å; I113-I262 HydrophobicContact CD1-CG2 3.92Å; I113-M481 HydrophobicContact CD1-CB 4.05Å; I113-M481 HydrophobicContact CG1-CB 3.93Å; I113-E482 HydrophobicContact CG2-CB 4.19Å; I113-E482 PolarHBondContact N-OE2 2.77Å; I113-V485 HydrophobicContact CB-CG2 4.35Å; I113-V485 HydrophobicContact CD1-CG2 3.96Å
114	L	98.9	Very high	98.6	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.052	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-41.2	172.5	-73.7	167.9	0	0	0	111.9	I106 Q110 N111 R112 A117 K118 T124 V517	I106-L114 HydrophobicContact CD1-CD2 3.61Å; Q110-L114 WeakPolarHBondContact O-CB 3.48Å; Q110-L114 VanDerWaalsContact O-CD1 3.32Å; Q110-L114 WeakPolarHBondContact O-CD1 3.26Å; Q110-L114 WeakPolarHBondContact O-CG 3.41Å; Q110-L114 PolarHBondContact O-N 3.41Å; N111-L114 PolarHBondContact O-N 2.86Å; R112-L114 VanDerWaalsContact C-N 3.33Å; L114-A117 PolarHBondContact O-N 3.22Å; L114-K118 WeakPolarHBondContact O-CB 3.49Å; L114-K118 PolarHBondContact O-N 2.83Å; L114-T124 HydrophobicContact CD2-CG2 4.45Å; L114-V517 HydrophobicContact CD1-CB 3.83Å; L114-V517 HydrophobicContact CD1-CG1 4.27Å; L114-V517 HydrophobicContact CD1-CG2 4.22Å; L114-V517 HydrophobicContact CD2-CB 4.3Å; L114-V517 HydrophobicContact CD2-CG2 3.76Å
115	R	98.8	Very high	98.6	Very high	68 Å²	68	36.1 Å²	36.1	26%	0.257	18%	0.181	S	C	.	.	H	α-helix	trans	-60.5	-45.7	174.2	-176.6	-146	52.6	74.1	-16.3	111.5	N111 R112 K118 E119 E489 E511	N111-R115 WeakPolarHBondContact O-CB 3.44Å; N111-R115 PolarHBondContact O-N 3.4Å; R112-R115 WeakPolarHBondContact O-CB 3.4Å; R112-R115 PolarHBondContact O-N 3.47Å; R115-K118 PolarHBondContact O-N 3.45Å; R115-E119 IonicContact CZ-OE2 2.79Å; R115-E119 IonicContact NH1-OE2 3.58Å; R115-E119 PolarHBondContact NH1-OE2 2.79Å; R115-E119 WeakPolarHBondContact O-CB 3.34Å; R115-E119 PolarHBondContact O-N 3.44Å; R115-E489 IonicContact NH2-OE1 2.82Å; R115-E489 PolarHBondContact NH2-OE1 3.38Å; R115-E489 VanDerWaalsContact NH2-OE1 3.16Å; R115-E511 VanDerWaalsContact CD-OE1 3.29Å; R115-E511 WeakPolarHBondContact CD-OE1 3.47Å
116	L	98.7	Very high	98.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-43.5	175.5	-79.8	176.5	0	0	0	112.3	R112 I113 K118 E119 Y120 I262 M266 V485	R112-L116 PolarHBondContact O-N 3.49Å; I113-L116 HydrophobicContact CD1-CD1 4.39Å; I113-L116 PolarHBondContact O-N 3.29Å; L116-K118 VanDerWaalsContact C-N 3.3Å; L116-K118 PolarHBondContact O-N 2.9Å; L116-E119 PolarHBondContact O-N 3.43Å; L116-Y120 HydrophobicContact CD2-CE2 4.12Å; L116-Y120 VanDerWaalsContact O-CD2 3.24Å; L116-Y120 WeakPolarHBondContact O-CD2 3.37Å; L116-Y120 PolarHBondContact O-N 2.83Å; L116-Y120 VanDerWaalsContact O-N 3.12Å; L116-I262 HydrophobicContact CB-CD1 4.39Å; L116-I262 HydrophobicContact CD1-CG2 4.32Å; L116-M266 HydrophobicContact CD1-CE 4.43Å; L116-M266 HydrophobicContact CD1-SD 4.35Å; L116-M266 HydrophobicContact CD2-SD 4.45Å; L116-V485 HydrophobicContact CD1-CB 4.35Å; L116-V485 HydrophobicContact CD1-CG1 3.85Å; L116-V485 HydrophobicContact CD1-CG2 3.47Å; L116-V485 VanDerWaalsContact CD1-CG2 3.47Å
117	A	98.6	Very high	98.6	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.017	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-43.3	177.5	0	0	0	0	0	111.5	I113 L114 Y120 G121 I122 F255 I262	I113-A117 PolarHBondContact O-N 2.89Å; L114-A117 PolarHBondContact O-N 3.22Å; A117-Y120 PolarHBondContact O-N 3.48Å; A117-G121 PolarHBondContact O-N 2.7Å; A117-G121 VanDerWaalsContact O-N 3.13Å; A117-I122 HydrophobicContact CB-CB 4.34Å; A117-I122 PolarHBondContact O-N 3.23Å; A117-F255 HydrophobicContact CB-CD1 4.08Å; A117-F255 HydrophobicContact CB-CE1 3.45Å; A117-F255 VanDerWaalsContact CB-CE1 3.45Å; A117-F255 HydrophobicContact CB-CZ 4.36Å; A117-I262 HydrophobicContact CB-CD1 3.93Å
118	K	98.3	Very high	98.6	Very high	127 Å²	127	42.2 Å²	42.2	55%	0.552	21%	0.209	S	C	*	.	H	α-helix	trans	-63.3	-45.5	175.4	-176.6	172.4	-175.4	149.7	0	112.6	L114 R115 L116 Y120 G121 E516	L114-K118 WeakPolarHBondContact O-CB 3.49Å; L114-K118 PolarHBondContact O-N 2.83Å; R115-K118 PolarHBondContact O-N 3.45Å; L116-K118 VanDerWaalsContact C-N 3.3Å; L116-K118 PolarHBondContact O-N 2.9Å; K118-Y120 PolarHBondContact O-N 3.45Å; K118-G121 PolarHBondContact O-N 2.94Å; K118-E516 WeakPolarHBondContact CD-OE1 3.4Å; K118-E516 WeakPolarHBondContact CE-OE1 3.37Å; K118-E516 IonicContact NZ-OE1 2.74Å; K118-E516 PolarHBondContact NZ-OE1 2.87Å
119	E	98.2	Very high	98.4	Very high	91 Å²	91	44 Å²	44	43%	0.425	22%	0.218	S	C	.	.	H	α-helix	trans	-55.2	-40.8	177.7	-176.1	-178	169.8	0	0	111.6	K66 R115 L116	K66-E119 WeakPolarHBondContact CE-OE1 3.17Å; K66-E119 IonicContact NZ-OE1 3.78Å; K66-E119 PolarHBondContact NZ-OE1 3.22Å; K66-E119 IonicContact NZ-OE2 3.88Å; R115-E119 IonicContact CZ-OE2 2.79Å; R115-E119 IonicContact NH1-OE2 3.58Å; R115-E119 PolarHBondContact NH1-OE2 2.79Å; R115-E119 WeakPolarHBondContact O-CB 3.34Å; R115-E119 PolarHBondContact O-N 3.44Å; L116-E119 PolarHBondContact O-N 3.43Å
120	Y	98.5	Very high	98.3	Very high	50 Å²	50	48.9 Å²	48.9	20%	0.196	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	4.4	179.3	-64.2	-52.7	0	0	0	114.8	K66 L116 A117 K118 I122 C265 M266 E269	K66-Y120 WeakPolarHBondContact CE-OH 3.33Å; L116-Y120 HydrophobicContact CD2-CE2 4.12Å; L116-Y120 VanDerWaalsContact O-CD2 3.24Å; L116-Y120 WeakPolarHBondContact O-CD2 3.37Å; L116-Y120 PolarHBondContact O-N 2.83Å; L116-Y120 VanDerWaalsContact O-N 3.12Å; A117-Y120 PolarHBondContact O-N 3.48Å; K118-Y120 PolarHBondContact O-N 3.45Å; Y120-I122 PolarHBondContact O-N 3.27Å; Y120-C265 HydrophobicContact CD1-CB 3.66Å; Y120-C265 HydrophobicContact CD2-CB 3.69Å; Y120-C265 HydrophobicContact CE1-CB 3.91Å; Y120-C265 HydrophobicContact CE2-CB 3.93Å; Y120-C265 HydrophobicContact CG-CB 3.55Å; Y120-M266 HydrophobicContact CE2-CG 3.71Å; Y120-M266 WeakPolarHBondContact OH-CA 3.41Å; Y120-M266 WeakPolarHBondContact OH-CG 3.46Å; Y120-E269 PolarHBondContact OH-OE2 3.12Å
121	G	98.3	Very high	98.3	Very high	61 Å²	61	51.1 Å²	51.1	63%	0.629	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.5	21.8	-178.5	0	0	0	0	0	114.2	A117 K118 K123	A117-G121 PolarHBondContact O-N 2.7Å; A117-G121 VanDerWaalsContact O-N 3.13Å; K118-G121 PolarHBondContact O-N 2.94Å; G121-K123 PolarHBondContact O-N 3.49Å
122	I	98.5	Very high	98.3	Very high	16 Å²	16	53.6 Å²	53.6	8%	0.082	26%	0.258	C	S	.	.			trans	-82	112	179.1	-60.7	165.3	0	0	0	108.7	A117 Y120 F255 Q261 I262	A117-I122 HydrophobicContact CB-CB 4.34Å; A117-I122 PolarHBondContact O-N 3.23Å; Y120-I122 PolarHBondContact O-N 3.27Å; I122-F255 HydrophobicContact CG2-CB 3.97Å; I122-F255 HydrophobicContact CG2-CD1 3.78Å; I122-F255 HydrophobicContact CG2-CG 4.2Å; I122-Q261 HydrophobicContact CD1-CB 3.77Å; I122-Q261 HydrophobicContact CG1-CB 4.42Å; I122-I262 HydrophobicContact CD1-CD1 3.63Å; I122-I262 HydrophobicContact CD1-CG1 4.16Å
123	K	98.2	Very high	98.3	Very high	166 Å²	166	53.4 Å²	53.4	72%	0.722	26%	0.258	S	S	*	.			trans	-71.8	148.5	178.9	-64	-177.6	179.9	180	0	111.5	G121 A256	G121-K123 PolarHBondContact O-N 3.49Å; K123-A256 HydrophobicContact CB-CB 4.29Å; K123-A256 PolarHBondContact O-N 2.78Å
124	T	98.6	Very high	98.3	Very high	33 Å²	33	53.4 Å²	53.4	20%	0.202	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	154.3	170.4	70.8	0	0	0	0	110.6	I106 L114 R253 K254 F255	I106-T124 HydrophobicContact CD1-CG2 3.54Å; L114-T124 HydrophobicContact CD2-CG2 4.45Å; T124-R253 PolarHBondContact OG1-NH1 2.85Å; T124-R253 VanDerWaalsContact OG1-NH1 3.13Å; T124-K254 CarbonylContact C-O 3.43Å; T124-K254 VanDerWaalsContact CA-O 3.23Å; T124-K254 WeakPolarHBondContact CA-O 3.31Å; T124-F255 HydrophobicContact CG2-CD1 3.95Å; T124-F255 HydrophobicContact CG2-CE1 4.01Å
125	Y	98.6	Very high	98.2	Very high	27 Å²	27	53.6 Å²	53.6	11%	0.106	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153	171.6	66.7	-83.1	0	0	0	110	R253 K254 A256 P378	Y125-R253 CarbonylContact O-C 3.59Å; Y125-R253 WeakPolarHBondContact O-CA 3.4Å; Y125-R253 WeakPolarHBondContact O-CB 3.45Å; Y125-K254 HydrophobicContact CD1-CB 4.4Å; Y125-K254 WeakPolarHBondContact CD1-O 3.39Å; Y125-K254 HydrophobicContact CE1-CB 3.72Å; Y125-K254 HydrophobicContact CE2-CB 4.24Å; Y125-K254 HydrophobicContact CE2-CD 4.5Å; Y125-K254 PolarHBondContact N-O 3.18Å; Y125-K254 PolarHBondContact O-N 3.33Å; Y125-K254 VanDerWaalsContact OH-CE 3.3Å; Y125-K254 WeakPolarHBondContact OH-CE 3.47Å; Y125-K254 PolarHBondContact OH-NZ 3.43Å; Y125-K254 VanDerWaalsContact OH-NZ 3.15Å; Y125-A256 HydrophobicContact CD1-CB 4.21Å; Y125-P378 HydrophobicContact CD1-CB 4.49Å; Y125-P378 HydrophobicContact CD1-CG 4.14Å; Y125-P378 HydrophobicContact CD2-CB 3.97Å; Y125-P378 HydrophobicContact CD2-CG 4.29Å; Y125-P378 HydrophobicContact CE1-CG 4.47Å; Y125-P378 HydrophobicContact CG-CB 3.9Å; Y125-P378 HydrophobicContact CG-CG 4.04Å
126	K	98.6	Very high	98.1	Very high	123 Å²	123	50.7 Å²	50.7	54%	0.535	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	139.4	179.2	-69.2	-171.5	173.2	-170.8	0	110.9	E252 R253	K126-E252 CarbonylContact C-O 3.52Å; K126-E252 VanDerWaalsContact CA-O 3.29Å; K126-E252 WeakPolarHBondContact CA-O 3.21Å; K126-R253 HydrophobicContact CG-CG 4.3Å
127	V	98.5	Very high	97.9	Very high	9 Å²	9	51.5 Å²	51.5	6%	0.055	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-65.6	143.2	165.2	178.5	0	0	0	0	108.6	Y105 E129 T246 Q251 E252 K254 L373	Y105-V127 HydrophobicContact CD1-CG2 3.97Å; Y105-V127 HydrophobicContact CE1-CG2 3.87Å; V127-E129 PolarHBondContact O-N 3.4Å; V127-T246 HydrophobicContact CB-CG2 3.81Å; V127-T246 HydrophobicContact CG1-CG2 4.03Å; V127-Q251 VanDerWaalsContact CG2-O 3.24Å; V127-Q251 WeakPolarHBondContact CG2-O 3.32Å; V127-E252 PolarHBondContact N-O 3.08Å; V127-K254 HydrophobicContact CG2-CD 4.16Å; V127-K254 HydrophobicContact CG2-CG 4.05Å; V127-L373 HydrophobicContact CG1-CB 4.32Å; V127-L373 HydrophobicContact CG1-CD2 3.9Å
128	N	97.9	Very high	97.6	Very high	21 Å²	21	57.1 Å²	57.1	11%	0.112	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-69.9	121	-177.5	-175.1	62.5	0	0	0	111.3	E131 C357 D374	N128-E131 PolarHBondContact ND2-OE2 3.43Å; N128-C357 WeakPolarHBondContact ND2-CA 3.49Å; N128-C357 PolarHBondContact ND2-O 3.13Å; N128-D374 HydrophobicContact CB-CB 4.03Å
129	E	96.1	Very high	97.4	Very high	39 Å²	39	53.3 Å²	53.3	18%	0.182	28%	0.28	C	S	.	.			trans	-142	31.5	174	-161.1	174.1	-127.8	0	0	110.4	V127 L133 T246 T247	V127-E129 PolarHBondContact O-N 3.4Å; E129-L133 HydrophobicContact CG-CD1 3.88Å; E129-T246 HydrophobicContact CB-CG2 4.42Å; E129-T246 VanDerWaalsContact CD-CB 3.48Å; E129-T246 WeakPolarHBondContact OE1-CB 3.2Å; E129-T246 PolarHBondContact OE1-OG1 3.02Å; E129-T246 WeakPolarHBondContact OE2-CB 3.47Å; E129-T247 WeakPolarHBondContact OE2-CB 3.24Å; E129-T247 PolarHBondContact OE2-N 2.84Å; E129-T247 PolarHBondContact OE2-OG1 2.74Å
130	Q	96.9	Very high	97.3	Very high	146 Å²	146	55.2 Å²	55.2	68%	0.682	29%	0.286	S	S	*	.	S	Bend	trans	-77.3	-46.9	-176.5	-64.2	-64.7	-15.8	0	0	111.8
131	E	98	Very high	97.2	Very high	47 Å²	47	54.6 Å²	54.6	22%	0.22	29%	0.289	C	S	.	.	S	Bend	trans	-84.2	-167.6	176.8	-48.7	80.9	-178.3	0	0	111.7	N128 G355 C357	N128-E131 PolarHBondContact ND2-OE2 3.43Å; E131-G355 VanDerWaalsContact CB-C 3.47Å; E131-G355 WeakPolarHBondContact CB-O 3.49Å; E131-C357 HydrophobicContact CB-CB 4.25Å; E131-C357 WeakPolarHBondContact OE2-CA 3.46Å
132	H	98.4	Very high	97.2	Very high	75 Å²	75	56.5 Å²	56.5	35%	0.347	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	143.4	-177	-62.2	90.1	0	0	0	112.3	P143 G355 Y356 C357	H132-P143 HydrophobicContact CB-CB 3.87Å; H132-G355 WeakPolarHBondContact CB-O 3.29Å; H132-G355 PolarHBondContact N-O 3.5Å; H132-G355 PolarHBondContact ND1-O 3.42Å; H132-Y356 HydrophobicContact CB-CD1 4.44Å; H132-Y356 CarbonylContact O-C 3.55Å; H132-Y356 VanDerWaalsContact O-CA 3.3Å; H132-Y356 WeakPolarHBondContact O-CA 3.23Å; H132-C357 PolarHBondContact O-N 2.83Å; H132-C357 PolarHBondContact O-SG 3.39Å
133	L	98.5	Very high	97.1	Very high	9 Å²	9	59 Å²	59	5%	0.047	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	161.1	160.4	-63.8	79	0	0	0	108.6	E129 P143 F144 T359	E129-L133 HydrophobicContact CG-CD1 3.88Å; L133-P143 CarbonylContact O-C 3.36Å; L133-P143 VanDerWaalsContact O-CA 3.27Å; L133-P143 WeakPolarHBondContact O-CA 3.49Å; L133-F144 HydrophobicContact CB-CD1 3.93Å; L133-F144 HydrophobicContact CB-CD2 4.39Å; L133-F144 HydrophobicContact CB-CE1 3.51Å; L133-F144 HydrophobicContact CB-CE2 4.02Å; L133-F144 HydrophobicContact CB-CG 4.35Å; L133-F144 HydrophobicContact CB-CZ 3.56Å; L133-F144 HydrophobicContact CD2-CE2 3.94Å; L133-F144 HydrophobicContact CD2-CZ 3.76Å; L133-F144 HydrophobicContact CG-CE2 4.48Å; L133-F144 HydrophobicContact CG-CZ 4.28Å; L133-F144 PolarHBondContact N-O 3.13Å; L133-F144 PolarHBondContact O-N 3.4Å; L133-T359 WeakPolarHBondContact CA-O 3.41Å; L133-T359 HydrophobicContact CD2-CG2 3.67Å; L133-T359 HydrophobicContact CG-CG2 4.04Å
134	V	98.3	Very high	97.1	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.5	177.7	-177.3	0	0	0	0	110.6	Y356 T359 M360 V361 V416	V134-Y356 HydrophobicContact CG2-CD1 3.44Å; V134-Y356 VanDerWaalsContact CG2-CD1 3.44Å; V134-Y356 HydrophobicContact CG2-CD2 4.17Å; V134-Y356 HydrophobicContact CG2-CE1 3.77Å; V134-Y356 HydrophobicContact CG2-CE2 4.42Å; V134-Y356 HydrophobicContact CG2-CG 3.68Å; V134-T359 PolarHBondContact N-O 2.94Å; V134-M360 HydrophobicContact CB-CG 4.29Å; V134-M360 CarbonylContact O-C 3.55Å; V134-M360 VanDerWaalsContact O-CA 3.32Å; V134-M360 WeakPolarHBondContact O-CA 3.47Å; V134-V361 PolarHBondContact O-N 2.98Å; V134-V416 HydrophobicContact CB-CG1 4.41Å; V134-V416 HydrophobicContact CG1-CG1 3.78Å
135	H	97.6	Very high	97	Very high	14 Å²	14	56.4 Å²	56.4	7%	0.065	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.1	167.5	-179.7	-148.6	0	0	0	109.2	S141 Y142 F144 P149 E363	H135-S141 CarbonylContact O-C 3.59Å; H135-Y142 PolarHBondContact N-O 2.98Å; H135-Y142 WeakPolarHBondContact O-CD2 3.23Å; H135-Y142 PolarHBondContact O-N 3.08Å; H135-F144 HydrophobicContact CB-CD1 3.98Å; H135-F144 HydrophobicContact CB-CE1 3.85Å; H135-P149 HydrophobicContact CB-CB 3.82Å; H135-P149 WeakPolarHBondContact ND1-CB 3.27Å; H135-E363 IonicContact CD2-OE1 3.04Å; H135-E363 IonicContact CE1-OE1 3.71Å; H135-E363 PolarHBondContact CE1-OE1 2.9Å; H135-E363 IonicContact NE2-OE1 3.33Å; H135-E363 PolarHBondContact NE2-OE1 3.33Å
136	Y	97.2	Very high	96.7	Very high	7 Å²	7	57.2 Å²	57.2	3%	0.027	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	116	179.8	178.5	-93.6	0	0	0	110.4	G139 K140 S141 V361 I362 E363 E364 I412 V416	Y136-G139 WeakPolarHBondContact OH-CA 3.49Å; Y136-K140 VanDerWaalsContact CA-O 3.31Å; Y136-K140 WeakPolarHBondContact CA-O 3.33Å; Y136-S141 WeakPolarHBondContact CD2-OG 3.39Å; Y136-V361 PolarHBondContact N-O 3Å; Y136-I362 HydrophobicContact CD1-CG2 3.87Å; Y136-I362 HydrophobicContact CE1-CG2 4.49Å; Y136-E363 PolarHBondContact O-N 2.89Å; Y136-E364 HydrophobicContact CE1-CB 4.19Å; Y136-E364 WeakPolarHBondContact CE1-OE2 3.22Å; Y136-E364 PolarHBondContact OH-OE2 2.78Å; Y136-E364 VanDerWaalsContact OH-OE2 3.04Å; Y136-I412 HydrophobicContact CD1-CD1 4.41Å; Y136-I412 HydrophobicContact CE1-CD1 3.81Å; Y136-V416 HydrophobicContact CD1-CG2 3.99Å; Y136-V416 HydrophobicContact CD2-CB 4.3Å; Y136-V416 HydrophobicContact CD2-CG2 3.73Å; Y136-V416 HydrophobicContact CE1-CG2 4.39Å; Y136-V416 HydrophobicContact CE2-CG2 4.17Å; Y136-V416 HydrophobicContact CG-CB 4.49Å; Y136-V416 HydrophobicContact CG-CG2 3.61Å
137	V	94.4	Very high	96.3	Very high	17 Å²	17	52.6 Å²	52.6	10%	0.103	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	140	-177.4	62.6	0	0	0	0	110.1	G139 K140 Y142 E363	V137-G139 PolarHBondContact O-N 3.36Å; V137-K140 PolarHBondContact N-O 3.33Å; V137-K140 PolarHBondContact O-N 2.84Å; V137-K140 VanDerWaalsContact O-N 3.13Å; V137-Y142 HydrophobicContact CG1-CD2 3.96Å; V137-Y142 HydrophobicContact CG1-CE2 3.69Å; V137-E363 HydrophobicContact CB-CB 4.26Å; V137-E363 HydrophobicContact CG2-CB 4.19Å
138	N	91.6	Very high	96	Very high	120 Å²	120	53.9 Å²	53.9	64%	0.642	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	41.1	-179.1	-57.7	-23.3	0	0	0	113.1	K140 R208	N138-K140 VanDerWaalsContact C-N 3.32Å; N138-K140 PolarHBondContact O-N 3.02Å; N138-R208 PolarHBondContact OD1-NH1 3.42Å
139	G	94	Very high	95.7	Very high	47 Å²	47	53 Å²	53	49%	0.485	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	9.5	177.5	0	0	0	0	0	115.7	Y136 V137	Y136-G139 WeakPolarHBondContact OH-CA 3.49Å; V137-G139 PolarHBondContact O-N 3.36Å
140	K	96	Very high	95.4	Very high	131 Å²	131	53.9 Å²	53.9	57%	0.57	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.5	-176.9	-66	-176.8	179	-177.6	0	111.8	Y136 V137 N138 Y142	Y136-K140 VanDerWaalsContact CA-O 3.31Å; Y136-K140 WeakPolarHBondContact CA-O 3.33Å; V137-K140 PolarHBondContact N-O 3.33Å; V137-K140 PolarHBondContact O-N 2.84Å; V137-K140 VanDerWaalsContact O-N 3.13Å; N138-K140 VanDerWaalsContact C-N 3.32Å; N138-K140 PolarHBondContact O-N 3.02Å; K140-Y142 HydrophobicContact CB-CE2 3.74Å; K140-Y142 WeakPolarHBondContact CD-OH 3.45Å
141	S	97.6	Very high	95.1	Very high	37 Å²	37	48.4 Å²	48.4	26%	0.259	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.6	176.4	-61.9	0	0	0	0	111.4	H135 Y136 V416	H135-S141 CarbonylContact O-C 3.59Å; Y136-S141 WeakPolarHBondContact CD2-OG 3.39Å; S141-V416 WeakPolarHBondContact CB-O 3.47Å; S141-V416 PolarHBondContact OG-O 3.04Å
142	Y	97.1	Very high	94.8	Very high	101 Å²	101	56.7 Å²	56.7	40%	0.396	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	107.1	177.6	-58.3	-85.7	0	0	0	109.2	H135 V137 K140	H135-Y142 PolarHBondContact N-O 2.98Å; H135-Y142 WeakPolarHBondContact O-CD2 3.23Å; H135-Y142 PolarHBondContact O-N 3.08Å; V137-Y142 HydrophobicContact CG1-CD2 3.96Å; V137-Y142 HydrophobicContact CG1-CE2 3.69Å; K140-Y142 HydrophobicContact CB-CE2 3.74Å; K140-Y142 WeakPolarHBondContact CD-OH 3.45Å
143	P	97.7	Very high	94.6	Very high	68 Å²	68	57.3 Å²	57.3	44%	0.442	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	139.9	176	-18.1	32.3	0	0	0	110.9	H132 L133 Y356	H132-P143 HydrophobicContact CB-CB 3.87Å; L133-P143 CarbonylContact O-C 3.36Å; L133-P143 VanDerWaalsContact O-CA 3.27Å; L133-P143 WeakPolarHBondContact O-CA 3.49Å; P143-Y356 HydrophobicContact CB-CE1 4.1Å; P143-Y356 HydrophobicContact CG-CE1 3.78Å
144	F	97.5	Very high	94.5	Very high	9 Å²	9	61.2 Å²	61.2	4%	0.039	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	169.7	177.6	73.5	-79.1	0	0	0	112.9	L133 H135 G146 F148 P149 P150 V361	L133-F144 HydrophobicContact CB-CD1 3.93Å; L133-F144 HydrophobicContact CB-CD2 4.39Å; L133-F144 HydrophobicContact CB-CE1 3.51Å; L133-F144 HydrophobicContact CB-CE2 4.02Å; L133-F144 HydrophobicContact CB-CG 4.35Å; L133-F144 HydrophobicContact CB-CZ 3.56Å; L133-F144 HydrophobicContact CD2-CE2 3.94Å; L133-F144 HydrophobicContact CD2-CZ 3.76Å; L133-F144 HydrophobicContact CG-CE2 4.48Å; L133-F144 HydrophobicContact CG-CZ 4.28Å; L133-F144 PolarHBondContact N-O 3.13Å; L133-F144 PolarHBondContact O-N 3.4Å; H135-F144 HydrophobicContact CB-CD1 3.98Å; H135-F144 HydrophobicContact CB-CE1 3.85Å; F144-G146 WeakPolarHBondContact CE2-O 3.4Å; F144-F148 WeakPolarHBondContact CD2-O 3.23Å; F144-F148 VanDerWaalsContact CE2-C 3.45Å; F144-F148 WeakPolarHBondContact CE2-O 3.49Å; F144-P149 HydrophobicContact CD1-CB 4.48Å; F144-P149 HydrophobicContact CE1-CB 4.28Å; F144-P149 HydrophobicContact CE2-CB 4.47Å; F144-P149 HydrophobicContact CZ-CB 4.28Å; F144-P150 VanDerWaalsContact CB-CD 3.42Å; F144-P150 HydrophobicContact CB-CG 4.01Å; F144-V361 HydrophobicContact CZ-CG2 4.34Å
145	K	95.9	Very high	94.4	Very high	137 Å²	137	64.3 Å²	64.3	60%	0.596	34%	0.342	S	S	*	.			trans	-125.8	153.8	170.5	-67.4	-164	173.4	-165.2	0	109.9
146	G	91.9	Very high	94.4	Very high	44 Å²	44	64.7 Å²	64.7	45%	0.454	35%	0.346	S	S	.	.	S	Bend	trans	96.2	177.7	-176.4	0	0	0	0	0	112.5	F144 F148	F144-G146 WeakPolarHBondContact CE2-O 3.4Å; G146-F148 PolarHBondContact O-N 3.36Å
147	S	90.1	Very high	94.4	Very high	26 Å²	26	68.4 Å²	68.4	18%	0.182	36%	0.36	C	S	.	.	S	Bend	trans	-74.2	-26.1	-170.1	-47.7	0	0	0	0	114.3	M241 F244 S245	S147-M241 WeakPolarHBondContact OG-CE 3.15Å; S147-F244 VanDerWaalsContact O-CD1 3.31Å; S147-F244 WeakPolarHBondContact O-CD1 3.47Å; S147-F244 WeakPolarHBondContact O-CE1 3.4Å; S147-S245 VanDerWaalsContact CB-OG 3.23Å; S147-S245 WeakPolarHBondContact CB-OG 3.14Å; S147-S245 PolarHBondContact OG-OG 3.41Å
148	F	92.4	Very high	94.5	Very high	36 Å²	36	68.3 Å²	68.3	16%	0.158	36%	0.359	C	S	.	.	S	Bend	trans	-126.1	146.2	-175.9	-69.8	-61.7	0	0	0	111.4	F144 G146 F160 F164 F209 F213 M241 F244	F144-F148 WeakPolarHBondContact CD2-O 3.23Å; F144-F148 VanDerWaalsContact CE2-C 3.45Å; F144-F148 WeakPolarHBondContact CE2-O 3.49Å; G146-F148 PolarHBondContact O-N 3.36Å; F148-F160 HydrophobicContact CB-CE1 3.81Å; F148-F160 HydrophobicContact CB-CZ 3.86Å; F148-F160 HydrophobicContact CD1-CE1 4.37Å; F148-F160 AromaticContact CD1-CZ 3.95Å; F148-F160 HydrophobicContact CD1-CZ 3.95Å; F148-F160 HydrophobicContact CG-CE1 4.01Å; F148-F160 HydrophobicContact CG-CZ 4.01Å; F148-F164 HydrophobicContact CD1-CE2 4.38Å; F148-F164 HydrophobicContact CD1-CZ 4.37Å; F148-F164 HydrophobicContact CE1-CD1 4.48Å; F148-F164 AromaticContact CE1-CE1 3.96Å; F148-F164 HydrophobicContact CE1-CE1 3.96Å; F148-F164 HydrophobicContact CE1-CE2 4.12Å; F148-F164 AromaticContact CE1-CZ 3.78Å; F148-F164 HydrophobicContact CE1-CZ 3.78Å; F148-F164 HydrophobicContact CE2-CD2 4.49Å; F148-F164 HydrophobicContact CE2-CG 4.46Å; F148-F164 HydrophobicContact CZ-CD1 4Å; F148-F164 HydrophobicContact CZ-CD2 4.36Å; F148-F164 AromaticContact CZ-CE1 3.92Å; F148-F164 HydrophobicContact CZ-CE1 3.92Å; F148-F164 HydrophobicContact CZ-CE2 4.31Å; F148-F164 HydrophobicContact CZ-CG 4.23Å; F148-F164 HydrophobicContact CZ-CZ 4.1Å; F148-F209 AromaticContact CD1-CE1 3.87Å; F148-F209 HydrophobicContact CD1-CE1 3.87Å; F148-F209 AromaticContact CD1-CZ 3.82Å; F148-F209 HydrophobicContact CD1-CZ 3.82Å; F148-F209 HydrophobicContact CE1-CE1 4.03Å; F148-F209 HydrophobicContact CE1-CZ 4.3Å; F148-F213 HydrophobicContact CE1-CD2 4.43Å; F148-F213 HydrophobicContact CE1-CE2 4.36Å; F148-F213 HydrophobicContact CZ-CE2 4.46Å; F148-M241 HydrophobicContact CD2-SD 3.69Å; F148-M241 HydrophobicContact CE2-CG 4.45Å; F148-M241 HydrophobicContact CE2-SD 3.32Å; F148-M241 WeakPolarHBondContact CE2-SD 3.05Å; F148-M241 HydrophobicContact CZ-SD 4.42Å; F148-F244 AromaticContact CD1-CD1 3.73Å; F148-F244 HydrophobicContact CD1-CD1 3.73Å; F148-F244 AromaticContact CD1-CE1 3.84Å; F148-F244 HydrophobicContact CD1-CE1 3.84Å; F148-F244 HydrophobicContact CE1-CB 4.36Å; F148-F244 AromaticContact CE1-CD1 3.38Å; F148-F244 HydrophobicContact CE1-CD1 3.38Å; F148-F244 AromaticContact CE1-CE1 3.85Å; F148-F244 HydrophobicContact CE1-CE1 3.85Å; F148-F244 AromaticContact CE1-CG 3.98Å; F148-F244 HydrophobicContact CE1-CG 3.98Å; F148-F244 HydrophobicContact CZ-CB 4.41Å; F148-F244 HydrophobicContact CZ-CD1 4.14Å
149	P	92.2	Very high	94.8	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.013	33%	0.329	C	S	.	.			trans	-65.1	138.3	175.2	27.8	-34.1	0	0	0	110.9	H135 F144 M151 F209	H135-P149 HydrophobicContact CB-CB 3.82Å; H135-P149 WeakPolarHBondContact ND1-CB 3.27Å; F144-P149 HydrophobicContact CD1-CB 4.48Å; F144-P149 HydrophobicContact CE1-CB 4.28Å; F144-P149 HydrophobicContact CE2-CB 4.47Å; F144-P149 HydrophobicContact CZ-CB 4.28Å; P149-M151 HydrophobicContact CG-CE 4.19Å; P149-F209 HydrophobicContact CG-CD2 3.96Å; P149-F209 HydrophobicContact CG-CE2 3.4Å; P149-F209 VanDerWaalsContact CG-CE2 3.4Å; P149-F209 HydrophobicContact CG-CZ 4.09Å
150	P	90.4	Very high	95	Very high	57 Å²	57	61.1 Å²	61.1	37%	0.37	31%	0.309	S	S	.	.			trans	-69.1	135	-179.7	27.8	-34.2	0	0	0	111.2	F144 W152	F144-P150 VanDerWaalsContact CB-CD 3.42Å; F144-P150 HydrophobicContact CB-CG 4.01Å; P150-W152 HydrophobicContact CB-CZ2 4.45Å
151	M	90.9	Very high	95.1	Very high	31 Å²	31	55.8 Å²	55.8	15%	0.153	29%	0.286	C	S	.	.			trans	-103.3	111.2	174.7	-60.8	-61.2	174.1	0	0	109.6	P149 V156 Y157 F160	P149-M151 HydrophobicContact CG-CE 4.19Å; M151-V156 HydrophobicContact CB-CG1 4.11Å; M151-V156 HydrophobicContact CG-CG1 4.06Å; M151-V156 HydrophobicContact SD-CG1 3.84Å; M151-Y157 HydrophobicContact CB-CD2 4.32Å; M151-F160 HydrophobicContact CE-CD2 3.47Å; M151-F160 VanDerWaalsContact CE-CD2 3.47Å; M151-F160 HydrophobicContact CE-CE2 3.39Å; M151-F160 HydrophobicContact CE-CG 4.26Å; M151-F160 HydrophobicContact CE-CZ 4.16Å; M151-F160 HydrophobicContact CG-CB 3.99Å; M151-F160 HydrophobicContact CG-CD1 4.3Å; M151-F160 HydrophobicContact CG-CD2 4.03Å; M151-F160 HydrophobicContact CG-CG 3.86Å
152	W	90.1	Very high	95.1	Very high	222 Å²	222	54.9 Å²	54.9	84%	0.841	28%	0.279	S	S	*	.			trans	-85.8	-26.9	-175.3	-62.4	100.8	0	0	0	114.3	P150 P154	P150-W152 HydrophobicContact CB-CZ2 4.45Å; W152-P154 WeakPolarHBondContact O-CD 3.3Å
153	N	95.8	Very high	95.1	Very high	87 Å²	87	50.1 Å²	50.1	47%	0.465	26%	0.26	S	S	.	.	S	Bend	trans	-72.6	122.7	175	178.6	-54.7	0	0	0	109	I155 V156 Y157	N153-I155 VanDerWaalsContact C-N 3.3Å; N153-I155 PolarHBondContact O-N 3Å; N153-I155 WeakPolarHBondContact OD1-CB 3.46Å; N153-I155 PolarHBondContact OD1-N 3Å; N153-V156 HydrophobicContact CB-CB 4Å; N153-V156 HydrophobicContact CB-CG2 3.8Å; N153-V156 PolarHBondContact O-N 2.97Å; N153-V156 VanDerWaalsContact O-N 3.08Å; N153-V156 PolarHBondContact OD1-N 3.19Å; N153-Y157 WeakPolarHBondContact O-CB 3.43Å; N153-Y157 PolarHBondContact O-N 2.95Å
154	P	95.3	Very high	95.1	Very high	92 Å²	92	47.5 Å²	47.5	60%	0.597	24%	0.242	S	C	*	.	H	α-helix	trans	-58.6	-35.8	-174.3	-26.9	34.9	0	0	0	114.7	W152 Y157 M158	W152-P154 WeakPolarHBondContact O-CD 3.3Å; P154-Y157 PolarHBondContact O-N 3.32Å; P154-M158 WeakPolarHBondContact O-CG 3.26Å; P154-M158 PolarHBondContact O-N 3.25Å
155	I	97.2	Very high	95.1	Very high	65 Å²	65	49.1 Å²	49.1	33%	0.333	25%	0.247	S	C	.	.	H	α-helix	trans	-69.6	-43.3	177.5	-55.8	-56.1	0	0	0	110.3	N153 Y157 M158 D159 T203 V534 F537	N153-I155 VanDerWaalsContact C-N 3.3Å; N153-I155 PolarHBondContact O-N 3Å; N153-I155 WeakPolarHBondContact OD1-CB 3.46Å; N153-I155 PolarHBondContact OD1-N 3Å; I155-Y157 VanDerWaalsContact C-N 3.33Å; I155-M158 HydrophobicContact CD1-CE 3.5Å; I155-M158 VanDerWaalsContact CD1-CE 3.5Å; I155-M158 PolarHBondContact O-N 3.02Å; I155-D159 WeakPolarHBondContact O-CB 3.38Å; I155-D159 PolarHBondContact O-N 2.84Å; I155-T203 HydrophobicContact CG2-CG2 4.16Å; I155-V534 HydrophobicContact CG2-CG1 4.19Å; I155-V534 HydrophobicContact CG2-CG2 3.9Å; I155-F537 HydrophobicContact CD1-CD1 4.46Å; I155-F537 HydrophobicContact CD1-CE1 4.33Å
156	V	97.1	Very high	95.3	Very high	22 Å²	22	43.7 Å²	43.7	13%	0.133	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-39.3	176.1	-179.6	0	0	0	0	110.6	M151 N153 D159 F160 T203 A205 V206	M151-V156 HydrophobicContact CB-CG1 4.11Å; M151-V156 HydrophobicContact CG-CG1 4.06Å; M151-V156 HydrophobicContact SD-CG1 3.84Å; N153-V156 HydrophobicContact CB-CB 4Å; N153-V156 HydrophobicContact CB-CG2 3.8Å; N153-V156 PolarHBondContact O-N 2.97Å; N153-V156 VanDerWaalsContact O-N 3.08Å; N153-V156 PolarHBondContact OD1-N 3.19Å; V156-D159 PolarHBondContact O-N 2.99Å; V156-F160 WeakPolarHBondContact O-CB 3.29Å; V156-F160 PolarHBondContact O-N 2.67Å; V156-T203 HydrophobicContact CG2-CG2 4.12Å; V156-A205 HydrophobicContact CG1-CB 3.93Å; V156-A205 HydrophobicContact CG2-CB 4.44Å; V156-V206 HydrophobicContact CG1-CG2 4.06Å
157	Y	96.8	Very high	95.6	Very high	85 Å²	85	41.8 Å²	41.8	33%	0.333	21%	0.205	S	C	.	.	H	α-helix	trans	-63.7	-46.3	176.7	179.4	-111.3	0	0	0	112.3	M151 N153 P154 I155 D159 F160 N161 L531	M151-Y157 HydrophobicContact CB-CD2 4.32Å; N153-Y157 WeakPolarHBondContact O-CB 3.43Å; N153-Y157 PolarHBondContact O-N 2.95Å; P154-Y157 PolarHBondContact O-N 3.32Å; I155-Y157 VanDerWaalsContact C-N 3.33Å; Y157-D159 VanDerWaalsContact C-N 3.32Å; Y157-D159 PolarHBondContact O-N 3.32Å; Y157-F160 PolarHBondContact O-N 2.91Å; Y157-N161 VanDerWaalsContact O-CB 3.27Å; Y157-N161 WeakPolarHBondContact O-CB 3.32Å; Y157-N161 PolarHBondContact O-N 3.35Å; Y157-L531 HydrophobicContact CD1-CD1 4.11Å; Y157-L531 HydrophobicContact CE1-CD1 3.39Å
158	M	97.4	Very high	96	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-59.6	-43.5	174.3	-76.4	-172.9	-68.5	0	0	111.9	P154 I155 N162 P532 V534 F537	P154-M158 WeakPolarHBondContact O-CG 3.26Å; P154-M158 PolarHBondContact O-N 3.25Å; I155-M158 HydrophobicContact CD1-CE 3.5Å; I155-M158 VanDerWaalsContact CD1-CE 3.5Å; I155-M158 PolarHBondContact O-N 3.02Å; M158-N162 WeakPolarHBondContact O-CB 3.49Å; M158-N162 PolarHBondContact O-N 3Å; M158-P532 HydrophobicContact SD-CG 4.1Å; M158-V534 HydrophobicContact CB-CG2 4.42Å; M158-F537 HydrophobicContact CE-CB 4.27Å; M158-F537 HydrophobicContact CE-CD1 4.14Å; M158-F537 HydrophobicContact CE-CD2 4.3Å; M158-F537 HydrophobicContact CE-CG 3.97Å; M158-F537 HydrophobicContact SD-CB 4.08Å; M158-F537 HydrophobicContact SD-CD2 4.22Å; M158-F537 HydrophobicContact SD-CG 4.16Å
159	D	98.3	Very high	96.3	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-65.4	-43.7	178.7	-165.5	39.3	0	0	0	112	I155 V156 Y157 N162 L163 C201 W202 T203 V206 V534	I155-D159 WeakPolarHBondContact O-CB 3.38Å; I155-D159 PolarHBondContact O-N 2.84Å; V156-D159 PolarHBondContact O-N 2.99Å; Y157-D159 VanDerWaalsContact C-N 3.32Å; Y157-D159 PolarHBondContact O-N 3.32Å; D159-N162 PolarHBondContact O-N 3.21Å; D159-L163 PolarHBondContact O-N 2.83Å; D159-C201 WeakPolarHBondContact OD1-CA 3.35Å; D159-W202 VanDerWaalsContact CG-N 3.32Å; D159-W202 PolarHBondContact OD1-N 3.28Å; D159-W202 PolarHBondContact OD2-N 3.36Å; D159-W202 VanDerWaalsContact OD2-N 3.07Å; D159-T203 HydrophobicContact CB-CG2 4.15Å; D159-T203 WeakPolarHBondContact OD2-CB 3.41Å; D159-T203 WeakPolarHBondContact OD2-CG2 3.24Å; D159-T203 PolarHBondContact OD2-N 2.93Å; D159-T203 PolarHBondContact OD2-OG1 3.32Å; D159-V206 HydrophobicContact CB-CG2 3.89Å; D159-V206 WeakPolarHBondContact OD2-CB 3.35Å; D159-V206 WeakPolarHBondContact OD2-CG2 3.34Å; D159-V534 HydrophobicContact CB-CG2 3.75Å
160	F	97.6	Very high	96.6	Very high	15 Å²	15	46.4 Å²	46.4	7%	0.066	23%	0.226	C	C	.	.	H	α-helix	trans	-65.9	-47.2	178.4	-170.6	-91.9	0	0	0	111.9	F148 M151 V156 Y157 N162 L163 F164 V206 F209	F148-F160 HydrophobicContact CB-CE1 3.81Å; F148-F160 HydrophobicContact CB-CZ 3.86Å; F148-F160 HydrophobicContact CD1-CE1 4.37Å; F148-F160 AromaticContact CD1-CZ 3.95Å; F148-F160 HydrophobicContact CD1-CZ 3.95Å; F148-F160 HydrophobicContact CG-CE1 4.01Å; F148-F160 HydrophobicContact CG-CZ 4.01Å; M151-F160 HydrophobicContact CE-CD2 3.47Å; M151-F160 VanDerWaalsContact CE-CD2 3.47Å; M151-F160 HydrophobicContact CE-CE2 3.39Å; M151-F160 HydrophobicContact CE-CG 4.26Å; M151-F160 HydrophobicContact CE-CZ 4.16Å; M151-F160 HydrophobicContact CG-CB 3.99Å; M151-F160 HydrophobicContact CG-CD1 4.3Å; M151-F160 HydrophobicContact CG-CD2 4.03Å; M151-F160 HydrophobicContact CG-CG 3.86Å; V156-F160 WeakPolarHBondContact O-CB 3.29Å; V156-F160 PolarHBondContact O-N 2.67Å; Y157-F160 PolarHBondContact O-N 2.91Å; F160-N162 VanDerWaalsContact C-N 3.32Å; F160-N162 PolarHBondContact O-N 3.08Å; F160-L163 PolarHBondContact O-N 2.85Å; F160-F164 HydrophobicContact CD1-CD2 4.08Å; F160-F164 HydrophobicContact CD1-CE2 4.02Å; F160-F164 HydrophobicContact CD2-CE2 4.03Å; F160-F164 AromaticContact CE1-CD2 3.85Å; F160-F164 HydrophobicContact CE1-CD2 3.85Å; F160-F164 AromaticContact CE1-CE2 3.57Å; F160-F164 HydrophobicContact CE1-CE2 3.57Å; F160-F164 AromaticContact CE2-CE2 3.62Å; F160-F164 HydrophobicContact CE2-CE2 3.62Å; F160-F164 HydrophobicContact CE2-CZ 4.38Å; F160-F164 HydrophobicContact CG-CE2 4.24Å; F160-F164 HydrophobicContact CZ-CD2 4.14Å; F160-F164 AromaticContact CZ-CE2 3.37Å; F160-F164 HydrophobicContact CZ-CE2 3.37Å; F160-F164 HydrophobicContact CZ-CZ 4.23Å; F160-F164 WeakPolarHBondContact O-CD2 3.46Å; F160-F164 PolarHBondContact O-N 2.76Å; F160-V206 HydrophobicContact CB-CG2 3.83Å; F160-V206 HydrophobicContact CD2-CG2 4.24Å; F160-F209 HydrophobicContact CD2-CD1 4.48Å; F160-F209 HydrophobicContact CE2-CB 4.27Å; F160-F209 AromaticContact CE2-CD1 3.46Å; F160-F209 HydrophobicContact CE2-CD1 3.46Å; F160-F209 VanDerWaalsContact CE2-CD1 3.46Å; F160-F209 HydrophobicContact CE2-CD2 4.25Å; F160-F209 AromaticContact CE2-CE1 3.8Å; F160-F209 HydrophobicContact CE2-CE1 3.8Å; F160-F209 AromaticContact CE2-CG 3.71Å; F160-F209 HydrophobicContact CE2-CG 3.71Å; F160-F209 HydrophobicContact CE2-CZ 4.35Å; F160-F209 HydrophobicContact CZ-CD1 4.01Å; F160-F209 AromaticContact CZ-CE1 3.84Å; F160-F209 HydrophobicContact CZ-CE1 3.84Å; F160-F209 HydrophobicContact CZ-CG 4.5Å; F160-F209 HydrophobicContact CZ-CZ 4.22Å
161	N	97.3	Very high	97	Very high	18 Å²	18	43.8 Å²	43.8	10%	0.096	21%	0.21	C	C	.	.	H	α-helix	trans	-59.7	-44.9	174.7	178.4	68.5	0	0	0	111	Y157 L163 R165 E528	Y157-N161 VanDerWaalsContact O-CB 3.27Å; Y157-N161 WeakPolarHBondContact O-CB 3.32Å; Y157-N161 PolarHBondContact O-N 3.35Å; N161-L163 PolarHBondContact O-N 2.77Å; N161-R165 PolarHBondContact ND2-NH1 3.06Å; N161-R165 VanDerWaalsContact O-CB 3.31Å; N161-R165 WeakPolarHBondContact O-CB 3.4Å; N161-R165 PolarHBondContact O-N 2.85Å; N161-R165 VanDerWaalsContact O-N 3.11Å; N161-E528 PolarHBondContact ND2-O 3.41Å; N161-E528 VanDerWaalsContact OD1-CA 3.24Å; N161-E528 WeakPolarHBondContact OD1-CA 3.21Å; N161-E528 WeakPolarHBondContact OD1-CB 3.26Å; N161-E528 WeakPolarHBondContact OD1-CG 3.3Å; N161-E528 PolarHBondContact OD1-O 3.13Å
162	N	98.1	Very high	97.3	Very high	19 Å²	19	49.5 Å²	49.5	10%	0.102	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-40.2	179.3	-171.9	78.3	0	0	0	112.4	M158 D159 F160 F164 R165 T166 S533	M158-N162 WeakPolarHBondContact O-CB 3.49Å; M158-N162 PolarHBondContact O-N 3Å; D159-N162 PolarHBondContact O-N 3.21Å; F160-N162 VanDerWaalsContact C-N 3.32Å; F160-N162 PolarHBondContact O-N 3.08Å; N162-F164 PolarHBondContact O-N 2.78Å; N162-R165 PolarHBondContact OD1-NH2 3.19Å; N162-T166 PolarHBondContact ND2-OG1 2.86Å; N162-T166 WeakPolarHBondContact O-CB 3.47Å; N162-T166 PolarHBondContact O-N 3.11Å; N162-T166 PolarHBondContact O-OG1 2.85Å; N162-S533 VanDerWaalsContact CG-CB 3.41Å; N162-S533 VanDerWaalsContact OD1-CB 3.28Å; N162-S533 WeakPolarHBondContact OD1-CB 3.42Å
163	L	98.3	Very high	97.7	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-52.9	-58.2	177.8	169	61.4	0	0	0	111.6	D159 F160 N161 T166 M167 F197 I200 V206 A210	D159-L163 PolarHBondContact O-N 2.83Å; F160-L163 PolarHBondContact O-N 2.85Å; N161-L163 PolarHBondContact O-N 2.77Å; L163-T166 PolarHBondContact O-N 3.08Å; L163-M167 HydrophobicContact CD1-CG 4.13Å; L163-M167 HydrophobicContact CD1-SD 3.63Å; L163-M167 HydrophobicContact CG-SD 4.08Å; L163-M167 VanDerWaalsContact O-CG 3.31Å; L163-M167 WeakPolarHBondContact O-CG 3.45Å; L163-M167 PolarHBondContact O-N 2.81Å; L163-F197 HydrophobicContact CD1-CD1 3.93Å; L163-F197 HydrophobicContact CD1-CE1 3.81Å; L163-I200 HydrophobicContact CD1-CD1 3.61Å; L163-I200 HydrophobicContact CD1-CG1 4.16Å; L163-V206 HydrophobicContact CB-CG1 4.05Å; L163-V206 HydrophobicContact CD2-CG1 3.57Å; L163-V206 HydrophobicContact CG-CG1 4.41Å; L163-A210 HydrophobicContact CD2-CB 3.69Å
164	F	97.4	Very high	97.8	Very high	13 Å²	13	38.8 Å²	38.8	6%	0.057	19%	0.193	C	C	.	.	H	α-helix	trans	-69.9	-38.8	-174.9	-67.5	-67.4	0	0	0	112.1	F148 F160 N162 M167 D168 F209 F213 T240	F148-F164 HydrophobicContact CD1-CE2 4.38Å; F148-F164 HydrophobicContact CD1-CZ 4.37Å; F148-F164 HydrophobicContact CE1-CD1 4.48Å; F148-F164 AromaticContact CE1-CE1 3.96Å; F148-F164 HydrophobicContact CE1-CE1 3.96Å; F148-F164 HydrophobicContact CE1-CE2 4.12Å; F148-F164 AromaticContact CE1-CZ 3.78Å; F148-F164 HydrophobicContact CE1-CZ 3.78Å; F148-F164 HydrophobicContact CE2-CD2 4.49Å; F148-F164 HydrophobicContact CE2-CG 4.46Å; F148-F164 HydrophobicContact CZ-CD1 4Å; F148-F164 HydrophobicContact CZ-CD2 4.36Å; F148-F164 AromaticContact CZ-CE1 3.92Å; F148-F164 HydrophobicContact CZ-CE1 3.92Å; F148-F164 HydrophobicContact CZ-CE2 4.31Å; F148-F164 HydrophobicContact CZ-CG 4.23Å; F148-F164 HydrophobicContact CZ-CZ 4.1Å; F160-F164 HydrophobicContact CD1-CD2 4.08Å; F160-F164 HydrophobicContact CD1-CE2 4.02Å; F160-F164 HydrophobicContact CD2-CE2 4.03Å; F160-F164 AromaticContact CE1-CD2 3.85Å; F160-F164 HydrophobicContact CE1-CD2 3.85Å; F160-F164 AromaticContact CE1-CE2 3.57Å; F160-F164 HydrophobicContact CE1-CE2 3.57Å; F160-F164 AromaticContact CE2-CE2 3.62Å; F160-F164 HydrophobicContact CE2-CE2 3.62Å; F160-F164 HydrophobicContact CE2-CZ 4.38Å; F160-F164 HydrophobicContact CG-CE2 4.24Å; F160-F164 HydrophobicContact CZ-CD2 4.14Å; F160-F164 AromaticContact CZ-CE2 3.37Å; F160-F164 HydrophobicContact CZ-CE2 3.37Å; F160-F164 HydrophobicContact CZ-CZ 4.23Å; F160-F164 WeakPolarHBondContact O-CD2 3.46Å; F160-F164 PolarHBondContact O-N 2.76Å; N162-F164 PolarHBondContact O-N 2.78Å; F164-M167 PolarHBondContact O-N 2.79Å; F164-D168 PolarHBondContact O-N 2.85Å; F164-F209 HydrophobicContact CE2-CD1 4.24Å; F164-F209 HydrophobicContact CE2-CE1 4.14Å; F164-F209 AromaticContact CZ-CD1 3.81Å; F164-F209 HydrophobicContact CZ-CD1 3.81Å; F164-F209 AromaticContact CZ-CE1 3.62Å; F164-F209 HydrophobicContact CZ-CE1 3.62Å; F164-F213 HydrophobicContact CE1-CD1 4.44Å; F164-F213 AromaticContact CE1-CD2 3.79Å; F164-F213 HydrophobicContact CE1-CD2 3.79Å; F164-F213 AromaticContact CE1-CE2 3.83Å; F164-F213 HydrophobicContact CE1-CE2 3.83Å; F164-F213 HydrophobicContact CE1-CG 4.1Å; F164-F213 HydrophobicContact CE1-CZ 4.22Å; F164-F213 HydrophobicContact CZ-CD2 4.29Å; F164-T240 HydrophobicContact CB-CG2 4.29Å; F164-T240 HydrophobicContact CD1-CG2 3.69Å; F164-T240 HydrophobicContact CG-CG2 4.48Å
165	R	97.9	Very high	98	Very high	42 Å²	42	37 Å²	37	16%	0.158	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-50	173.7	-178.9	178.6	62.7	-152.7	0.5	111.5	N161 N162 M167 D168 E169 E528 R529 L531	N161-R165 PolarHBondContact ND2-NH1 3.06Å; N161-R165 VanDerWaalsContact O-CB 3.31Å; N161-R165 WeakPolarHBondContact O-CB 3.4Å; N161-R165 PolarHBondContact O-N 2.85Å; N161-R165 VanDerWaalsContact O-N 3.11Å; N162-R165 PolarHBondContact OD1-NH2 3.19Å; R165-M167 VanDerWaalsContact C-N 3.34Å; R165-M167 PolarHBondContact O-N 2.84Å; R165-D168 PolarHBondContact O-N 3.35Å; R165-E169 HydrophobicContact CG-CG 4.35Å; R165-E169 VanDerWaalsContact CG-OE1 3.3Å; R165-E169 WeakPolarHBondContact CG-OE1 3.48Å; R165-E169 WeakPolarHBondContact O-CB 3.31Å; R165-E169 VanDerWaalsContact O-CG 3.29Å; R165-E169 WeakPolarHBondContact O-CG 3.24Å; R165-E169 PolarHBondContact O-N 2.83Å; R165-E528 PolarHBondContact NH1-O 3.24Å; R165-R529 PolarHBondContact NH1-O 3.15Å; R165-R529 VanDerWaalsContact NH1-O 3.08Å; R165-L531 VanDerWaalsContact CZ-O 3.29Å; R165-L531 PolarHBondContact NH1-O 2.88Å; R165-L531 PolarHBondContact NH2-O 3.41Å
166	T	98.5	Very high	97.9	Very high	24 Å²	24	39 Å²	39	15%	0.147	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-40.1	179.2	-65.4	0	0	0	0	111.5	N162 L163 E169 M170 I200	N162-T166 PolarHBondContact ND2-OG1 2.86Å; N162-T166 WeakPolarHBondContact O-CB 3.47Å; N162-T166 PolarHBondContact O-N 3.11Å; N162-T166 PolarHBondContact O-OG1 2.85Å; L163-T166 PolarHBondContact O-N 3.08Å; T166-E169 PolarHBondContact O-N 2.83Å; T166-M170 HydrophobicContact CG2-CG 4.23Å; T166-M170 HydrophobicContact CG2-SD 3.85Å; T166-M170 WeakPolarHBondContact O-CB 3.45Å; T166-M170 WeakPolarHBondContact O-CG 3.2Å; T166-M170 PolarHBondContact O-N 2.87Å; T166-I200 HydrophobicContact CG2-CD1 4.48Å
167	M	98.6	Very high	97.9	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.015	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-43.9	175.9	-74.5	175.2	58.2	0	0	112.6	L163 F164 R165 G171 F197 F213 F230 L231 V234 T240	L163-M167 HydrophobicContact CD1-CG 4.13Å; L163-M167 HydrophobicContact CD1-SD 3.63Å; L163-M167 HydrophobicContact CG-SD 4.08Å; L163-M167 VanDerWaalsContact O-CG 3.31Å; L163-M167 WeakPolarHBondContact O-CG 3.45Å; L163-M167 PolarHBondContact O-N 2.81Å; F164-M167 PolarHBondContact O-N 2.79Å; R165-M167 VanDerWaalsContact C-N 3.34Å; R165-M167 PolarHBondContact O-N 2.84Å; M167-G171 PolarHBondContact O-N 3.32Å; M167-F197 HydrophobicContact SD-CE1 4.13Å; M167-F213 HydrophobicContact CE-CD1 4.23Å; M167-F213 HydrophobicContact CE-CE1 3.76Å; M167-F230 HydrophobicContact CE-CD1 4.24Å; M167-F230 HydrophobicContact CE-CE1 3.67Å; M167-L231 HydrophobicContact CB-CD2 4.05Å; M167-L231 HydrophobicContact CG-CD2 4.07Å; M167-V234 HydrophobicContact CE-CG2 4.41Å; M167-T240 HydrophobicContact CB-CG2 4.18Å; M167-T240 HydrophobicContact CE-CG2 4.3Å
168	D	98.4	Very high	97.9	Very high	45 Å²	45	38.3 Å²	38.3	24%	0.241	18%	0.184	C	C	.	.	H	α-helix	trans	-68.6	-38.6	177.3	-76.7	-37.7	0	0	0	111.8	F164 R165 G171 Q172 G239 T240	F164-D168 PolarHBondContact O-N 2.85Å; R165-D168 PolarHBondContact O-N 3.35Å; D168-G171 CarbonylContact O-C 3.57Å; D168-G171 WeakPolarHBondContact O-CA 3.49Å; D168-G171 PolarHBondContact O-N 2.81Å; D168-Q172 WeakPolarHBondContact O-CG 3.3Å; D168-Q172 PolarHBondContact O-N 3.38Å; D168-G239 WeakPolarHBondContact OD1-CA 3.42Å; D168-T240 WeakPolarHBondContact OD1-CG2 3.46Å; D168-T240 PolarHBondContact OD1-N 3.15Å; D168-T240 PolarHBondContact OD2-OG1 3.21Å
169	E	98.3	Very high	98	Very high	94 Å²	94	37.6 Å²	37.6	44%	0.439	18%	0.181	S	C	.	.	H	α-helix	trans	-60.9	-50.6	173.7	-75.3	169.1	174.5	0	0	111.7	R165 T166 G171 Q172	R165-E169 HydrophobicContact CG-CG 4.35Å; R165-E169 VanDerWaalsContact CG-OE1 3.3Å; R165-E169 WeakPolarHBondContact CG-OE1 3.48Å; R165-E169 WeakPolarHBondContact O-CB 3.31Å; R165-E169 VanDerWaalsContact O-CG 3.29Å; R165-E169 WeakPolarHBondContact O-CG 3.24Å; R165-E169 PolarHBondContact O-N 2.83Å; T166-E169 PolarHBondContact O-N 2.83Å; E169-G171 VanDerWaalsContact C-N 3.25Å; E169-G171 PolarHBondContact O-N 3.14Å; E169-Q172 WeakPolarHBondContact O-CB 3.4Å; E169-Q172 PolarHBondContact O-N 3.39Å; E169-Q172 VanDerWaalsContact O-N 3.08Å
170	M	98.7	Very high	98	Very high	22 Å²	22	40.2 Å²	40.2	11%	0.108	19%	0.191	C	C	.	.	H	α-helix	trans	-59.9	-40.3	173.8	-67.7	172.4	79.4	0	0	110.9	T166 Q172 E173 W188 L196 L231	T166-M170 HydrophobicContact CG2-CG 4.23Å; T166-M170 HydrophobicContact CG2-SD 3.85Å; T166-M170 WeakPolarHBondContact O-CB 3.45Å; T166-M170 WeakPolarHBondContact O-CG 3.2Å; T166-M170 PolarHBondContact O-N 2.87Å; M170-Q172 VanDerWaalsContact C-N 3.28Å; M170-Q172 PolarHBondContact O-N 2.51Å; M170-E173 PolarHBondContact O-N 2.75Å; M170-W188 HydrophobicContact CB-CH2 4.01Å; M170-W188 HydrophobicContact CB-CZ2 4.25Å; M170-W188 HydrophobicContact CB-CZ3 4.46Å; M170-W188 HydrophobicContact CE-CD2 3.89Å; M170-W188 HydrophobicContact CE-CG 4.2Å; M170-W188 HydrophobicContact CE-CH2 4.44Å; M170-W188 HydrophobicContact CE-CZ2 3.7Å; M170-W188 HydrophobicContact CG-CH2 4.36Å; M170-W188 HydrophobicContact CG-CZ2 4.12Å; M170-L196 HydrophobicContact CE-CD1 4.03Å; M170-L196 HydrophobicContact CE-CD2 4.18Å; M170-L196 HydrophobicContact SD-CD1 4.34Å; M170-L196 HydrophobicContact SD-CD2 4.35Å; M170-L231 HydrophobicContact CB-CD1 4.07Å; M170-L231 HydrophobicContact CB-CD2 4.22Å; M170-L231 HydrophobicContact CE-CD1 3.52Å; M170-L231 HydrophobicContact SD-CD1 4.15Å; M170-L231 HydrophobicContact SD-CD2 4.48Å
171	G	98.6	Very high	98	Very high	3 Å²	3	48.7 Å²	48.7	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-57.1	-38.3	174.6	0	0	0	0	0	112.7	M167 D168 E169 E173 I174 K235	M167-G171 PolarHBondContact O-N 3.32Å; D168-G171 CarbonylContact O-C 3.57Å; D168-G171 WeakPolarHBondContact O-CA 3.49Å; D168-G171 PolarHBondContact O-N 2.81Å; E169-G171 VanDerWaalsContact C-N 3.25Å; E169-G171 PolarHBondContact O-N 3.14Å; G171-E173 VanDerWaalsContact C-N 3.25Å; G171-E173 PolarHBondContact O-N 2.76Å; G171-I174 PolarHBondContact O-N 3.11Å; G171-I174 VanDerWaalsContact O-N 3.12Å; G171-K235 WeakPolarHBondContact O-CD 3.35Å; G171-K235 WeakPolarHBondContact O-CE 3.42Å; G171-K235 VanDerWaalsContact O-CG 3.25Å; G171-K235 WeakPolarHBondContact O-CG 3.24Å; G171-K235 PolarHBondContact O-NZ 3.15Å
172	Q	98.1	Very high	98.1	Very high	150 Å²	150	48.1 Å²	48.1	70%	0.701	22%	0.221	S	C	*	.	H	α-helix	trans	-59.5	-34.6	179.1	-72.9	170.3	14.2	0	0	112.6	D168 E169 M170 I174 K235	D168-Q172 WeakPolarHBondContact O-CG 3.3Å; D168-Q172 PolarHBondContact O-N 3.38Å; E169-Q172 WeakPolarHBondContact O-CB 3.4Å; E169-Q172 PolarHBondContact O-N 3.39Å; E169-Q172 VanDerWaalsContact O-N 3.08Å; M170-Q172 VanDerWaalsContact C-N 3.28Å; M170-Q172 PolarHBondContact O-N 2.51Å; Q172-I174 VanDerWaalsContact C-N 3.27Å; Q172-I174 PolarHBondContact O-N 3.16Å; Q172-K235 PolarHBondContact O-NZ 3.04Å
173	E	98.3	Very high	98.1	Very high	84 Å²	84	52 Å²	52	39%	0.393	25%	0.246	S	C	.	.	H	α-helix	trans	-70.4	-18.4	178.5	-62.1	-176.9	-153.5	0	0	114.1	M170 G171 P175 H184 W188	M170-E173 PolarHBondContact O-N 2.75Å; G171-E173 VanDerWaalsContact C-N 3.25Å; G171-E173 PolarHBondContact O-N 2.76Å; E173-P175 WeakPolarHBondContact O-CD 3.22Å; E173-H184 IonicContact OE2-CE1 3.2Å; E173-H184 PolarHBondContact OE2-CE1 3.25Å; E173-H184 IonicContact OE2-ND1 3.85Å; E173-H184 PolarHBondContact OE2-ND1 3.24Å; E173-W188 HydrophobicContact CB-CH2 4.08Å; E173-W188 HydrophobicContact CB-CZ3 4.37Å; E173-W188 HydrophobicContact CG-CH2 4.44Å; E173-W188 WeakPolarHBondContact OE2-CH2 3.3Å
174	I	98.8	Very high	98.1	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	26%	0.264	C	S	.	.	S	Bend	trans	-90	118.7	-171.1	-56.7	170.5	0	0	0	111.2	G171 Q172 R176 P179 A182 W188 L228 L231 W232 K235	G171-I174 PolarHBondContact O-N 3.11Å; G171-I174 VanDerWaalsContact O-N 3.12Å; Q172-I174 VanDerWaalsContact C-N 3.27Å; Q172-I174 PolarHBondContact O-N 3.16Å; I174-R176 PolarHBondContact O-N 3.37Å; I174-P179 HydrophobicContact CG2-CB 3.58Å; I174-A182 HydrophobicContact CB-CB 4.34Å; I174-A182 HydrophobicContact CG1-CB 4.03Å; I174-A182 HydrophobicContact CG2-CB 4.36Å; I174-W188 HydrophobicContact CD1-CE3 4.12Å; I174-W188 HydrophobicContact CD1-CZ3 3.98Å; I174-W188 HydrophobicContact CG1-CE3 4.16Å; I174-W188 HydrophobicContact CG1-CZ3 3.67Å; I174-L228 HydrophobicContact CD1-CD1 3.97Å; I174-L228 HydrophobicContact CG1-CD1 4.17Å; I174-L228 HydrophobicContact CG2-CD1 4.41Å; I174-L231 HydrophobicContact CD1-CB 3.5Å; I174-W232 HydrophobicContact CG2-CB 4Å; I174-W232 HydrophobicContact CG2-CG 4.43Å; I174-K235 HydrophobicContact CB-CD 4.46Å; I174-K235 WeakPolarHBondContact O-CD 3.18Å; I174-K235 WeakPolarHBondContact O-CE 3.21Å; I174-K235 PolarHBondContact O-NZ 2.64Å
175	P	98.3	Very high	98.2	Very high	53 Å²	53	55.3 Å²	55.3	34%	0.344	26%	0.263	S	S	.	.			trans	-65.3	130.7	175.6	-20.6	33.5	0	0	0	111.9	E173 E177 A178 P179 R181	E173-P175 WeakPolarHBondContact O-CD 3.22Å; P175-E177 PolarHBondContact O-N 2.86Å; P175-A178 CarbonylContact O-C 3.49Å; P175-A178 PolarHBondContact O-N 3.09Å; P175-P179 WeakPolarHBondContact O-CA 3.16Å; P175-R181 HydrophobicContact CG-CB 4.5Å
176	R	95.8	Very high	98.2	Very high	108 Å²	108	58.7 Å²	58.7	41%	0.408	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-43.4	-177.3	-70.2	-173.9	-177.6	170.5	1.8	112.9	I174 W232 K235 E476	I174-R176 PolarHBondContact O-N 3.37Å; R176-W232 PolarHBondContact O-NE1 2.55Å; R176-K235 HydrophobicContact CG-CD 4.04Å; R176-E476 IonicContact NH1-OE1 3.23Å; R176-E476 PolarHBondContact NH1-OE1 3.11Å
177	E	96.5	Very high	98.2	Very high	80 Å²	80	62.5 Å²	62.5	37%	0.374	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-16.8	-177	-65.2	-64.7	167.1	0	0	114	P175 W180 R460 S475	P175-E177 PolarHBondContact O-N 2.86Å; E177-W180 WeakPolarHBondContact O-CH2 3.38Å; E177-R460 PolarHBondContact O-NH2 3.4Å; E177-R460 IonicContact OE2-CZ 3.61Å; E177-R460 IonicContact OE2-NE 3.59Å; E177-R460 IonicContact OE2-NH2 2.83Å; E177-S475 WeakPolarHBondContact OE1-CB 3.33Å; E177-S475 PolarHBondContact OE1-OG 3.39Å; E177-S475 VanDerWaalsContact OE2-CB 3.28Å; E177-S475 WeakPolarHBondContact OE2-CB 3.48Å
178	A	97.9	Very high	98.2	Very high	12 Å²	12	63.1 Å²	63.1	10%	0.099	30%	0.302	C	S	.	.			trans	-149.1	65.6	-173.2	0	0	0	0	0	111.1	P175 W180 R181	P175-A178 CarbonylContact O-C 3.49Å; P175-A178 PolarHBondContact O-N 3.09Å; A178-W180 HydrophobicContact CB-CD2 4.49Å; A178-W180 HydrophobicContact CB-CH2 4.39Å; A178-W180 HydrophobicContact CB-CZ2 3.79Å; A178-W180 PolarHBondContact O-N 3.42Å; A178-W180 VanDerWaalsContact O-N 3.16Å; A178-R181 HydrophobicContact CB-CB 4.36Å; A178-R181 HydrophobicContact CB-CG 4.07Å; A178-R181 WeakPolarHBondContact O-CB 3.38Å; A178-R181 PolarHBondContact O-N 3.01Å
179	P	98.4	Very high	98.2	Very high	2 Å²	2	61 Å²	61	1%	0.013	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-59.6	-28.2	-176.8	21.7	-33.7	0	0	0	113.7	I174 P175 R181 A182 W232 L452	I174-P179 HydrophobicContact CG2-CB 3.58Å; P175-P179 WeakPolarHBondContact O-CA 3.16Å; P179-R181 PolarHBondContact O-N 2.78Å; P179-R181 VanDerWaalsContact O-N 3.11Å; P179-A182 WeakPolarHBondContact O-CB 3.37Å; P179-A182 PolarHBondContact O-N 2.94Å; P179-A182 VanDerWaalsContact O-N 3.09Å; P179-W232 HydrophobicContact CB-CB 4.02Å; P179-W232 HydrophobicContact CB-CG 3.76Å; P179-W232 HydrophobicContact CG-CD2 4.28Å; P179-W232 HydrophobicContact CG-CG 3.99Å; P179-L452 HydrophobicContact CB-CD2 3.92Å; P179-L452 HydrophobicContact CG-CD1 4.07Å; P179-L452 HydrophobicContact CG-CD2 3.84Å; P179-L452 HydrophobicContact CG-CG 4.17Å
180	W	98.4	Very high	98.3	Very high	56 Å²	56	61 Å²	61	21%	0.212	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-64.4	-9.3	173.4	56.4	86.6	0	0	0	114.2	E177 A178 A185 L452 G456 R457	E177-W180 WeakPolarHBondContact O-CH2 3.38Å; A178-W180 HydrophobicContact CB-CD2 4.49Å; A178-W180 HydrophobicContact CB-CH2 4.39Å; A178-W180 HydrophobicContact CB-CZ2 3.79Å; A178-W180 PolarHBondContact O-N 3.42Å; A178-W180 VanDerWaalsContact O-N 3.16Å; W180-A185 WeakPolarHBondContact O-CB 3.2Å; W180-L452 HydrophobicContact CE3-CD1 4.49Å; W180-G456 VanDerWaalsContact CE3-C 3.42Å; W180-G456 WeakPolarHBondContact CH2-O 3.07Å; W180-G456 WeakPolarHBondContact CZ3-O 3.42Å; W180-R457 HydrophobicContact CD2-CB 4.33Å; W180-R457 HydrophobicContact CH2-CB 4.41Å; W180-R457 VanDerWaalsContact CZ2-CA 3.46Å; W180-R457 HydrophobicContact CZ2-CB 3.81Å
181	R	98.3	Very high	98.3	Very high	192 Å²	192	60.6 Å²	60.6	73%	0.725	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-98.8	5.1	174.4	-63.4	-174.6	175.2	173.1	-0.5	113.6	P175 A178 P179	P175-R181 HydrophobicContact CG-CB 4.5Å; A178-R181 HydrophobicContact CB-CB 4.36Å; A178-R181 HydrophobicContact CB-CG 4.07Å; A178-R181 WeakPolarHBondContact O-CB 3.38Å; A178-R181 PolarHBondContact O-N 3.01Å; P179-R181 PolarHBondContact O-N 2.78Å; P179-R181 VanDerWaalsContact O-N 3.11Å
182	A	98.6	Very high	98.3	Very high	7 Å²	7	61.2 Å²	61.2	6%	0.058	30%	0.295	C	S	.	.	S	Bend	trans	-58.4	147	174.1	0	0	0	0	0	110.5	I174 P179 H184 A185 L228	I174-A182 HydrophobicContact CB-CB 4.34Å; I174-A182 HydrophobicContact CG1-CB 4.03Å; I174-A182 HydrophobicContact CG2-CB 4.36Å; P179-A182 WeakPolarHBondContact O-CB 3.37Å; P179-A182 PolarHBondContact O-N 2.94Å; P179-A182 VanDerWaalsContact O-N 3.09Å; A182-H184 PolarHBondContact O-N 3.18Å; A182-H184 VanDerWaalsContact O-N 3.11Å; A182-A185 HydrophobicContact CB-CB 4.04Å; A182-A185 VanDerWaalsContact O-CB 3.23Å; A182-A185 WeakPolarHBondContact O-CB 3.29Å; A182-A185 PolarHBondContact O-N 3.16Å; A182-L228 HydrophobicContact CB-CD1 4.19Å
183	P	98.6	Very high	98.3	Very high	99 Å²	99	54.1 Å²	54.1	64%	0.643	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-36.2	-178.5	-26.7	34.6	0	0	0	113.4
184	H	98.4	Very high	98.3	Very high	79 Å²	79	54.2 Å²	54.2	37%	0.366	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	21.1	-178.9	-56.5	101.2	0	0	0	113	E173 A182 L186 E187 W188	E173-H184 IonicContact OE2-CE1 3.2Å; E173-H184 PolarHBondContact OE2-CE1 3.25Å; E173-H184 IonicContact OE2-ND1 3.85Å; E173-H184 PolarHBondContact OE2-ND1 3.24Å; A182-H184 PolarHBondContact O-N 3.18Å; A182-H184 VanDerWaalsContact O-N 3.11Å; H184-L186 PolarHBondContact O-N 3.26Å; H184-E187 PolarHBondContact O-N 2.85Å; H184-W188 HydrophobicContact CB-CD2 3.67Å; H184-W188 HydrophobicContact CB-CE3 4.11Å; H184-W188 HydrophobicContact CB-CG 4.19Å; H184-W188 HydrophobicContact CB-CH2 3.98Å; H184-W188 HydrophobicContact CB-CZ2 3.52Å; H184-W188 HydrophobicContact CB-CZ3 4.24Å; H184-W188 AromaticContact CG-CZ2 3.76Å; H184-W188 AromaticContact ND1-CH2 3.9Å; H184-W188 AromaticContact ND1-CZ2 3.64Å; H184-W188 PolarHBondContact O-N 3.26Å
185	A	98.7	Very high	98.3	Very high	6 Å²	6	58.6 Å²	58.6	5%	0.05	28%	0.283	C	S	.	.	H	α-helix	trans	-55	-46.7	-170.9	0	0	0	0	0	113.2	W180 A182 E187 W188 D189 L228 T453	W180-A185 WeakPolarHBondContact O-CB 3.2Å; A182-A185 HydrophobicContact CB-CB 4.04Å; A182-A185 VanDerWaalsContact O-CB 3.23Å; A182-A185 WeakPolarHBondContact O-CB 3.29Å; A182-A185 PolarHBondContact O-N 3.16Å; A185-E187 PolarHBondContact O-N 2.74Å; A185-W188 PolarHBondContact O-N 3.35Å; A185-D189 WeakPolarHBondContact O-CB 3.16Å; A185-D189 PolarHBondContact O-N 3.27Å; A185-L228 HydrophobicContact CB-CD1 4.45Å; A185-L228 HydrophobicContact CB-CD2 3.88Å; A185-T453 HydrophobicContact CB-CG2 3.91Å
186	L	98.6	Very high	98.4	Very high	113 Å²	113	56.4 Å²	56.4	59%	0.592	27%	0.268	S	S	*	.	H	α-helix	trans	-64.9	-41.1	-178.7	-175.7	63.6	0	0	0	112.3	H184 N190	H184-L186 PolarHBondContact O-N 3.26Å; L186-N190 WeakPolarHBondContact CD1-ND2 3.41Å; L186-N190 VanDerWaalsContact O-CB 3.28Å; L186-N190 WeakPolarHBondContact O-CB 3.22Å; L186-N190 PolarHBondContact O-N 3.12Å; L186-N190 VanDerWaalsContact O-N 3.11Å; L186-N190 PolarHBondContact O-ND2 2.93Å; L186-N190 VanDerWaalsContact O-ND2 3.14Å
187	E	98.6	Very high	98.5	Very high	104 Å²	104	51.6 Å²	51.6	49%	0.486	25%	0.25	S	S	.	.	H	α-helix	trans	-64.2	-50.3	177.9	-176.3	-171.9	165.3	0	0	110.8	H184 A185 D189 N190 M191	H184-E187 PolarHBondContact O-N 2.85Å; A185-E187 PolarHBondContact O-N 2.74Å; E187-D189 VanDerWaalsContact C-N 3.34Å; E187-D189 PolarHBondContact O-N 3.21Å; E187-N190 PolarHBondContact O-N 3.17Å; E187-M191 HydrophobicContact CG-CE 4.1Å
188	W	98.8	Very high	98.5	Very high	16 Å²	16	52.5 Å²	52.5	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-71.3	-29.3	-176.2	-62.6	-13.4	0	0	0	112.7	M170 E173 I174 H184 A185 M191 A227 L228 L231	M170-W188 HydrophobicContact CB-CH2 4.01Å; M170-W188 HydrophobicContact CB-CZ2 4.25Å; M170-W188 HydrophobicContact CB-CZ3 4.46Å; M170-W188 HydrophobicContact CE-CD2 3.89Å; M170-W188 HydrophobicContact CE-CG 4.2Å; M170-W188 HydrophobicContact CE-CH2 4.44Å; M170-W188 HydrophobicContact CE-CZ2 3.7Å; M170-W188 HydrophobicContact CG-CH2 4.36Å; M170-W188 HydrophobicContact CG-CZ2 4.12Å; E173-W188 HydrophobicContact CB-CH2 4.08Å; E173-W188 HydrophobicContact CB-CZ3 4.37Å; E173-W188 HydrophobicContact CG-CH2 4.44Å; E173-W188 WeakPolarHBondContact OE2-CH2 3.3Å; I174-W188 HydrophobicContact CD1-CE3 4.12Å; I174-W188 HydrophobicContact CD1-CZ3 3.98Å; I174-W188 HydrophobicContact CG1-CE3 4.16Å; I174-W188 HydrophobicContact CG1-CZ3 3.67Å; H184-W188 HydrophobicContact CB-CD2 3.67Å; H184-W188 HydrophobicContact CB-CE3 4.11Å; H184-W188 HydrophobicContact CB-CG 4.19Å; H184-W188 HydrophobicContact CB-CH2 3.98Å; H184-W188 HydrophobicContact CB-CZ2 3.52Å; H184-W188 HydrophobicContact CB-CZ3 4.24Å; H184-W188 AromaticContact CG-CZ2 3.76Å; H184-W188 AromaticContact ND1-CH2 3.9Å; H184-W188 AromaticContact ND1-CZ2 3.64Å; H184-W188 PolarHBondContact O-N 3.26Å; A185-W188 PolarHBondContact O-N 3.35Å; W188-M191 WeakPolarHBondContact O-CG 3.36Å; W188-A227 WeakPolarHBondContact O-CB 3.42Å; W188-A227 PolarHBondContact O-N 2.85Å; W188-L228 HydrophobicContact CB-CB 3.79Å; W188-L228 HydrophobicContact CB-CD1 4.33Å; W188-L228 HydrophobicContact CE3-CD1 3.92Å; W188-L228 PolarHBondContact O-N 3.31Å; W188-L231 HydrophobicContact CD2-CD1 4.43Å; W188-L231 HydrophobicContact CE3-CD1 4.36Å
189	D	98.8	Very high	98.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-79.3	-28.5	177.8	-161.3	38.6	0	0	0	112	A185 E187 M191 S226 L228 P449 G450 T451 L452 T453	A185-D189 WeakPolarHBondContact O-CB 3.16Å; A185-D189 PolarHBondContact O-N 3.27Å; E187-D189 VanDerWaalsContact C-N 3.34Å; E187-D189 PolarHBondContact O-N 3.21Å; D189-M191 PolarHBondContact O-N 3.46Å; D189-S226 VanDerWaalsContact OD1-CB 3.31Å; D189-S226 WeakPolarHBondContact OD1-CB 3.5Å; D189-S226 PolarHBondContact OD1-OG 2.67Å; D189-L228 HydrophobicContact CB-CB 3.84Å; D189-L228 HydrophobicContact CB-CD2 3.79Å; D189-L228 HydrophobicContact CB-CG 4.46Å; D189-P449 CarbonylContact O-C 3.51Å; D189-P449 WeakPolarHBondContact O-CA 3.25Å; D189-P449 WeakPolarHBondContact O-CB 3.38Å; D189-G450 PolarHBondContact O-N 2.91Å; D189-G450 VanDerWaalsContact OD2-CA 3.29Å; D189-G450 WeakPolarHBondContact OD2-CA 3.43Å; D189-T451 PolarHBondContact OD2-N 3.34Å; D189-L452 PolarHBondContact OD2-N 3.49Å; D189-L452 VanDerWaalsContact OD2-N 3.11Å; D189-T453 HydrophobicContact CB-CG2 3.55Å; D189-T453 WeakPolarHBondContact OD2-CB 3.23Å; D189-T453 WeakPolarHBondContact OD2-CG2 3.1Å; D189-T453 PolarHBondContact OD2-N 3.17Å; D189-T453 PolarHBondContact OD2-OG1 2.87Å
190	N	98.7	Very high	98.4	Very high	95 Å²	95	59.5 Å²	59.5	51%	0.508	29%	0.287	S	S	.	.	S	Bend	trans	-77.5	-3.9	176	-74.8	-21.1	0	0	0	113.8	L186 E187	L186-N190 WeakPolarHBondContact CD1-ND2 3.41Å; L186-N190 VanDerWaalsContact O-CB 3.28Å; L186-N190 WeakPolarHBondContact O-CB 3.22Å; L186-N190 PolarHBondContact O-N 3.12Å; L186-N190 VanDerWaalsContact O-N 3.11Å; L186-N190 PolarHBondContact O-ND2 2.93Å; L186-N190 VanDerWaalsContact O-ND2 3.14Å; E187-N190 PolarHBondContact O-N 3.17Å
191	M	98.6	Very high	98.4	Very high	12 Å²	12	57 Å²	57	6%	0.059	28%	0.278	C	S	.	.	S	Bend	trans	-113.1	149.6	174	67.9	176.1	56.1	0	0	111.9	E187 W188 D189 E195 L196 K199 A227	E187-M191 HydrophobicContact CG-CE 4.1Å; W188-M191 WeakPolarHBondContact O-CG 3.36Å; D189-M191 PolarHBondContact O-N 3.46Å; M191-E195 VanDerWaalsContact CA-OE2 3.26Å; M191-E195 WeakPolarHBondContact CA-OE2 3.4Å; M191-E195 HydrophobicContact CB-CB 4.25Å; M191-L196 HydrophobicContact SD-CB 4.01Å; M191-L196 HydrophobicContact SD-CD1 4.12Å; M191-K199 HydrophobicContact CE-CD 4.46Å; M191-K199 VanDerWaalsContact CE-NZ 3.27Å; M191-A227 HydrophobicContact CG-CB 3.63Å; M191-A227 PolarHBondContact O-N 2.83Å; M191-A227 HydrophobicContact SD-CB 4.13Å
192	T	98.9	Very high	98.4	Very high	17 Å²	17	54.1 Å²	54.1	10%	0.104	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-76.9	160.3	167.9	62.2	0	0	0	0	111.2	Q194 E195 L196 H223 V225 P449	T192-Q194 PolarHBondContact O-N 3.09Å; T192-E195 PolarHBondContact N-OE2 2.98Å; T192-E195 PolarHBondContact O-N 3.01Å; T192-E195 VanDerWaalsContact OG1-CG 3.3Å; T192-E195 WeakPolarHBondContact OG1-CG 3.32Å; T192-E195 PolarHBondContact OG1-N 2.87Å; T192-E195 VanDerWaalsContact OG1-N 3.07Å; T192-E195 PolarHBondContact OG1-OE2 2.8Å; T192-E195 VanDerWaalsContact OG1-OE2 3.09Å; T192-L196 PolarHBondContact O-N 2.79Å; T192-L196 VanDerWaalsContact O-N 3.08Å; T192-H223 VanDerWaalsContact CG2-O 3.3Å; T192-H223 WeakPolarHBondContact CG2-O 3.28Å; T192-V225 CarbonylContact C-O 3.6Å; T192-V225 VanDerWaalsContact CA-O 3.22Å; T192-V225 WeakPolarHBondContact CA-O 3.38Å; T192-P449 HydrophobicContact CG2-CG 3.5Å; T192-P449 VanDerWaalsContact CG2-CG 3.5Å
193	M	98.8	Very high	98.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-30.7	168	-79.1	-59.3	-57	0	0	112.6	L196 F197 V214 P222 V225 A227 F230	M193-L196 HydrophobicContact CE-CD2 4.09Å; M193-L196 PolarHBondContact O-N 3.29Å; M193-L196 HydrophobicContact SD-CD2 3.98Å; M193-F197 HydrophobicContact CB-CE2 4.43Å; M193-F197 HydrophobicContact CE-CD1 4.06Å; M193-F197 HydrophobicContact CE-CE1 3.22Å; M193-F197 HydrophobicContact CE-CE2 4.02Å; M193-F197 HydrophobicContact CE-CZ 3.2Å; M193-F197 WeakPolarHBondContact O-CD2 3.37Å; M193-F197 VanDerWaalsContact O-CG 3.24Å; M193-F197 WeakPolarHBondContact O-CG 3.43Å; M193-F197 PolarHBondContact O-N 3.21Å; M193-V214 HydrophobicContact CB-CG2 4.32Å; M193-V214 HydrophobicContact CE-CG2 4.46Å; M193-P222 HydrophobicContact CB-CB 4.19Å; M193-P222 PolarHBondContact N-O 3.26Å; M193-P222 VanDerWaalsContact N-O 3.12Å; M193-V225 HydrophobicContact CB-CG2 3.75Å; M193-V225 HydrophobicContact CG-CG2 3.61Å; M193-V225 PolarHBondContact N-O 3.1Å; M193-A227 HydrophobicContact CG-CB 4.42Å; M193-A227 VanDerWaalsContact SD-CA 3.52Å; M193-A227 HydrophobicContact SD-CB 3.72Å; M193-F230 HydrophobicContact CE-CD1 3.48Å; M193-F230 VanDerWaalsContact CE-CD1 3.48Å; M193-F230 HydrophobicContact CE-CE1 3.94Å; M193-F230 HydrophobicContact CE-CG 4.31Å; M193-F230 HydrophobicContact CG-CB 3.49Å; M193-F230 VanDerWaalsContact CG-CB 3.49Å; M193-F230 HydrophobicContact CG-CD1 3.88Å; M193-F230 HydrophobicContact CG-CG 3.72Å; M193-F230 HydrophobicContact SD-CB 3.65Å; M193-F230 HydrophobicContact SD-CD1 3.55Å; M193-F230 VanDerWaalsContact SD-CD1 3.55Å; M193-F230 HydrophobicContact SD-CG 3.9Å
194	Q	98.8	Very high	98.2	Very high	87 Å²	87	53.8 Å²	53.8	41%	0.407	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-45.4	174.5	-172.4	170.7	53.4	0	0	111.7	T192 F197 N198 P222 H223	T192-Q194 PolarHBondContact O-N 3.09Å; Q194-F197 PolarHBondContact O-N 3.1Å; Q194-N198 VanDerWaalsContact O-CG 3.24Å; Q194-N198 PolarHBondContact O-N 3.37Å; Q194-N198 PolarHBondContact O-ND2 2.89Å; Q194-P222 HydrophobicContact CB-CB 3.94Å; Q194-P222 PolarHBondContact N-O 2.8Å; Q194-H223 HydrophobicContact CB-CB 4.16Å
195	E	98.8	Very high	98	Very high	93 Å²	93	51.2 Å²	51.2	44%	0.435	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-39.7	177.1	-72.8	162.9	150.4	0	0	111.6	M191 T192 N198 K199	M191-E195 VanDerWaalsContact CA-OE2 3.26Å; M191-E195 WeakPolarHBondContact CA-OE2 3.4Å; M191-E195 HydrophobicContact CB-CB 4.25Å; T192-E195 PolarHBondContact N-OE2 2.98Å; T192-E195 PolarHBondContact O-N 3.01Å; T192-E195 VanDerWaalsContact OG1-CG 3.3Å; T192-E195 WeakPolarHBondContact OG1-CG 3.32Å; T192-E195 PolarHBondContact OG1-N 2.87Å; T192-E195 VanDerWaalsContact OG1-N 3.07Å; T192-E195 PolarHBondContact OG1-OE2 2.8Å; T192-E195 VanDerWaalsContact OG1-OE2 3.09Å; E195-N198 PolarHBondContact O-N 3.18Å; E195-K199 WeakPolarHBondContact O-CG 3.45Å; E195-K199 PolarHBondContact O-N 2.95Å; E195-K199 VanDerWaalsContact O-N 3.13Å
196	L	98.7	Very high	97.9	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.037	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-47.9	173.5	-178.4	60.1	0	0	0	111.2	M170 M191 T192 M193 N198 K199 I200 A227 L231	M170-L196 HydrophobicContact CE-CD1 4.03Å; M170-L196 HydrophobicContact CE-CD2 4.18Å; M170-L196 HydrophobicContact SD-CD1 4.34Å; M170-L196 HydrophobicContact SD-CD2 4.35Å; M191-L196 HydrophobicContact SD-CB 4.01Å; M191-L196 HydrophobicContact SD-CD1 4.12Å; T192-L196 PolarHBondContact O-N 2.79Å; T192-L196 VanDerWaalsContact O-N 3.08Å; M193-L196 HydrophobicContact CE-CD2 4.09Å; M193-L196 PolarHBondContact O-N 3.29Å; M193-L196 HydrophobicContact SD-CD2 3.98Å; L196-N198 VanDerWaalsContact C-N 3.3Å; L196-N198 PolarHBondContact O-N 3.03Å; L196-K199 WeakPolarHBondContact O-CA 3.48Å; L196-K199 WeakPolarHBondContact O-CB 3.3Å; L196-K199 PolarHBondContact O-N 2.94Å; L196-I200 HydrophobicContact CD1-CD1 4.38Å; L196-I200 HydrophobicContact CD1-CG2 4.01Å; L196-I200 HydrophobicContact CG-CD1 4.1Å; L196-I200 WeakPolarHBondContact O-CG1 3.29Å; L196-I200 PolarHBondContact O-N 2.82Å; L196-A227 HydrophobicContact CB-CB 4.19Å; L196-A227 HydrophobicContact CD2-CB 4.05Å; L196-L231 HydrophobicContact CD2-CD1 4.11Å; L196-L231 HydrophobicContact CD2-CD2 4.42Å; L196-L231 HydrophobicContact CD2-CG 4.47Å
197	F	98.4	Very high	97.8	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-34.7	177.4	-64.6	-27.6	0	0	0	113.1	L163 M167 M193 Q194 K199 I200 C201 A210 V214 P222	L163-F197 HydrophobicContact CD1-CD1 3.93Å; L163-F197 HydrophobicContact CD1-CE1 3.81Å; M167-F197 HydrophobicContact SD-CE1 4.13Å; M193-F197 HydrophobicContact CB-CE2 4.43Å; M193-F197 HydrophobicContact CE-CD1 4.06Å; M193-F197 HydrophobicContact CE-CE1 3.22Å; M193-F197 HydrophobicContact CE-CE2 4.02Å; M193-F197 HydrophobicContact CE-CZ 3.2Å; M193-F197 WeakPolarHBondContact O-CD2 3.37Å; M193-F197 VanDerWaalsContact O-CG 3.24Å; M193-F197 WeakPolarHBondContact O-CG 3.43Å; M193-F197 PolarHBondContact O-N 3.21Å; Q194-F197 PolarHBondContact O-N 3.1Å; F197-K199 PolarHBondContact O-N 2.82Å; F197-I200 HydrophobicContact CD1-CD1 4.48Å; F197-C201 WeakPolarHBondContact O-CB 3.44Å; F197-C201 PolarHBondContact O-N 2.84Å; F197-A210 HydrophobicContact CD1-CB 4.02Å; F197-A210 HydrophobicContact CD2-CB 3.71Å; F197-A210 HydrophobicContact CE1-CB 3.88Å; F197-A210 HydrophobicContact CE2-CB 3.56Å; F197-A210 WeakPolarHBondContact CE2-O 3.48Å; F197-A210 HydrophobicContact CG-CB 3.94Å; F197-A210 HydrophobicContact CZ-CB 3.64Å; F197-V214 HydrophobicContact CE2-CG2 3.56Å; F197-V214 HydrophobicContact CZ-CG2 3.67Å; F197-P222 HydrophobicContact CD2-CB 4.43Å; F197-P222 HydrophobicContact CE2-CB 4.36Å; F197-P222 HydrophobicContact CE2-CG 4.45Å
198	N	98	Very high	97.7	Very high	99 Å²	99	49.6 Å²	49.6	53%	0.529	24%	0.238	S	C	.	.	H	α-helix	trans	-64.6	-28.7	173.3	-71.1	-21.1	0	0	0	112.4	Q194 E195 L196	Q194-N198 VanDerWaalsContact O-CG 3.24Å; Q194-N198 PolarHBondContact O-N 3.37Å; Q194-N198 PolarHBondContact O-ND2 2.89Å; E195-N198 PolarHBondContact O-N 3.18Å; L196-N198 VanDerWaalsContact C-N 3.3Å; L196-N198 PolarHBondContact O-N 3.03Å
199	K	96.9	Very high	97.5	Very high	133 Å²	133	48.8 Å²	48.8	58%	0.578	24%	0.235	S	C	*	.	H	α-helix	trans	-79.6	-42.8	176.1	-69.8	179.1	178	-171.1	0	113	M191 E195 L196 F197	M191-K199 HydrophobicContact CE-CD 4.46Å; M191-K199 VanDerWaalsContact CE-NZ 3.27Å; E195-K199 WeakPolarHBondContact O-CG 3.45Å; E195-K199 PolarHBondContact O-N 2.95Å; E195-K199 VanDerWaalsContact O-N 3.13Å; L196-K199 WeakPolarHBondContact O-CA 3.48Å; L196-K199 WeakPolarHBondContact O-CB 3.3Å; L196-K199 PolarHBondContact O-N 2.94Å; F197-K199 PolarHBondContact O-N 2.82Å
200	I	96.7	Very high	97.4	Very high	29 Å²	29	48.8 Å²	48.8	15%	0.149	24%	0.235	C	C	.	.	H	α-helix	trans	-100.4	-25.8	-168.2	71	-178.7	0	0	0	114.4	L163 T166 L196 F197	L163-I200 HydrophobicContact CD1-CD1 3.61Å; L163-I200 HydrophobicContact CD1-CG1 4.16Å; T166-I200 HydrophobicContact CG2-CD1 4.48Å; L196-I200 HydrophobicContact CD1-CD1 4.38Å; L196-I200 HydrophobicContact CD1-CG2 4.01Å; L196-I200 HydrophobicContact CG-CD1 4.1Å; L196-I200 WeakPolarHBondContact O-CG1 3.29Å; L196-I200 PolarHBondContact O-N 2.82Å; F197-I200 HydrophobicContact CD1-CD1 4.48Å
201	C	98	Very high	97.4	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.02	23%	0.225	C	C	.	.			trans	-96	124.4	-178.9	-55.8	0	0	0	0	110.8	D159 F197 V206 R207	D159-C201 WeakPolarHBondContact OD1-CA 3.35Å; F197-C201 WeakPolarHBondContact O-CB 3.44Å; F197-C201 PolarHBondContact O-N 2.84Å; C201-V206 HydrophobicContact CB-CG1 4.12Å; C201-R207 HydrophobicContact CB-CG 3.49Å; C201-R207 VanDerWaalsContact CB-CG 3.49Å; C201-R207 PolarHBondContact O-NH1 3.42Å
202	W	97.9	Very high	97.3	Very high	131 Å²	131	46.7 Å²	46.7	50%	0.496	23%	0.226	S	C	.	.			trans	-85.9	-38.7	-179.6	-74.4	65.2	0	0	0	112.3	D159 R207 V534 G535 L538	D159-W202 VanDerWaalsContact CG-N 3.32Å; D159-W202 PolarHBondContact OD1-N 3.28Å; D159-W202 PolarHBondContact OD2-N 3.36Å; D159-W202 VanDerWaalsContact OD2-N 3.07Å; W202-R207 VanDerWaalsContact C-NH1 3.31Å; W202-R207 PolarHBondContact O-NH1 2.83Å; W202-V534 HydrophobicContact CB-CB 4.06Å; W202-V534 HydrophobicContact CB-CG1 4.12Å; W202-V534 HydrophobicContact CB-CG2 4.11Å; W202-V534 HydrophobicContact CD2-CB 3.75Å; W202-V534 HydrophobicContact CD2-CG1 3.56Å; W202-V534 HydrophobicContact CE3-CB 4.3Å; W202-V534 HydrophobicContact CE3-CG1 3.58Å; W202-V534 HydrophobicContact CG-CB 3.6Å; W202-V534 HydrophobicContact CG-CG1 3.79Å; W202-V534 HydrophobicContact CG-CG2 4.14Å; W202-V534 HydrophobicContact CZ3-CG1 4.26Å; W202-G535 VanDerWaalsContact CZ2-CA 3.45Å; W202-L538 HydrophobicContact CE3-CD1 4.3Å; W202-L538 HydrophobicContact CH2-CD1 3.64Å; W202-L538 HydrophobicContact CZ3-CD1 3.43Å; W202-L538 VanDerWaalsContact CZ3-CD1 3.43Å
203	T	97.8	Very high	97.2	Very high	24 Å²	24	45.9 Å²	45.9	15%	0.147	22%	0.221	C	C	.	.	S	Bend	trans	-98.1	145.5	-171	70.8	0	0	0	0	111.8	I155 V156 D159 A205 V206 R207	I155-T203 HydrophobicContact CG2-CG2 4.16Å; V156-T203 HydrophobicContact CG2-CG2 4.12Å; D159-T203 HydrophobicContact CB-CG2 4.15Å; D159-T203 WeakPolarHBondContact OD2-CB 3.41Å; D159-T203 WeakPolarHBondContact OD2-CG2 3.24Å; D159-T203 PolarHBondContact OD2-N 2.93Å; D159-T203 PolarHBondContact OD2-OG1 3.32Å; T203-A205 VanDerWaalsContact C-N 3.25Å; T203-A205 PolarHBondContact O-N 2.64Å; T203-V206 PolarHBondContact O-N 2.95Å; T203-V206 WeakPolarHBondContact OG1-CB 3.44Å; T203-V206 WeakPolarHBondContact OG1-CG2 3.25Å; T203-V206 PolarHBondContact OG1-N 3.11Å; T203-R207 PolarHBondContact O-N 3.47Å; T203-R207 VanDerWaalsContact O-N 3.14Å
204	S	95.4	Very high	97.2	Very high	76 Å²	76	45.9 Å²	45.9	53%	0.531	22%	0.221	S	C	.	.	H	α-helix	trans	-65.5	-30.4	174.7	55.6	0	0	0	0	112.3	R207 R208	S204-R207 PolarHBondContact O-N 3.15Å; S204-R208 WeakPolarHBondContact O-CG 3.46Å; S204-R208 PolarHBondContact O-N 2.78Å
205	A	94.9	Very high	97.2	Very high	24 Å²	24	42.8 Å²	42.8	20%	0.198	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-50.4	175.1	0	0	0	0	0	111.4	V156 T203 R208 F209	V156-A205 HydrophobicContact CG1-CB 3.93Å; V156-A205 HydrophobicContact CG2-CB 4.44Å; T203-A205 VanDerWaalsContact C-N 3.25Å; T203-A205 PolarHBondContact O-N 2.64Å; A205-R208 PolarHBondContact O-N 3.24Å; A205-F209 PolarHBondContact O-N 2.89Å; A205-F209 VanDerWaalsContact O-N 3.14Å
206	V	96.8	Very high	97.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.4	-39.4	178.9	176.5	0	0	0	0	111.5	V156 D159 F160 L163 C201 T203 R208 F209 A210	V156-V206 HydrophobicContact CG1-CG2 4.06Å; D159-V206 HydrophobicContact CB-CG2 3.89Å; D159-V206 WeakPolarHBondContact OD2-CB 3.35Å; D159-V206 WeakPolarHBondContact OD2-CG2 3.34Å; F160-V206 HydrophobicContact CB-CG2 3.83Å; F160-V206 HydrophobicContact CD2-CG2 4.24Å; L163-V206 HydrophobicContact CB-CG1 4.05Å; L163-V206 HydrophobicContact CD2-CG1 3.57Å; L163-V206 HydrophobicContact CG-CG1 4.41Å; C201-V206 HydrophobicContact CB-CG1 4.12Å; T203-V206 PolarHBondContact O-N 2.95Å; T203-V206 WeakPolarHBondContact OG1-CB 3.44Å; T203-V206 WeakPolarHBondContact OG1-CG2 3.25Å; T203-V206 PolarHBondContact OG1-N 3.11Å; V206-R208 VanDerWaalsContact C-N 3.31Å; V206-R208 PolarHBondContact O-N 3Å; V206-F209 PolarHBondContact O-N 3Å; V206-A210 VanDerWaalsContact O-CB 3.23Å; V206-A210 WeakPolarHBondContact O-CB 3.49Å; V206-A210 PolarHBondContact O-N 2.81Å
207	R	96.6	Very high	97.1	Very high	83 Å²	83	38.3 Å²	38.3	31%	0.313	19%	0.186	S	C	.	.	H	α-helix	trans	-61.1	-36.2	175.1	-73.7	-169.1	-67.7	-91.5	0.7	113.4	C201 W202 T203 S204 T211	C201-R207 HydrophobicContact CB-CG 3.49Å; C201-R207 VanDerWaalsContact CB-CG 3.49Å; C201-R207 PolarHBondContact O-NH1 3.42Å; W202-R207 VanDerWaalsContact C-NH1 3.31Å; W202-R207 PolarHBondContact O-NH1 2.83Å; T203-R207 PolarHBondContact O-N 3.47Å; T203-R207 VanDerWaalsContact O-N 3.14Å; S204-R207 PolarHBondContact O-N 3.15Å; R207-T211 PolarHBondContact O-N 2.87Å; R207-T211 VanDerWaalsContact O-N 3.09Å; R207-T211 PolarHBondContact O-OG1 3.42Å
208	R	94.6	Very high	97.1	Very high	106 Å²	106	38 Å²	38	40%	0.4	19%	0.185	S	C	.	.	H	α-helix	trans	-67.7	-47.4	175.2	-73	-177.7	-57	179.2	9.6	111.4	N138 S204 A205 V206 A210 T211 L212 E363	N138-R208 PolarHBondContact OD1-NH1 3.42Å; S204-R208 WeakPolarHBondContact O-CG 3.46Å; S204-R208 PolarHBondContact O-N 2.78Å; A205-R208 PolarHBondContact O-N 3.24Å; V206-R208 VanDerWaalsContact C-N 3.31Å; V206-R208 PolarHBondContact O-N 3Å; R208-A210 VanDerWaalsContact C-N 3.33Å; R208-A210 PolarHBondContact O-N 2.92Å; R208-T211 WeakPolarHBondContact O-CB 3.28Å; R208-T211 PolarHBondContact O-N 2.85Å; R208-L212 PolarHBondContact O-N 2.72Å; R208-L212 VanDerWaalsContact O-N 3.11Å; R208-E363 WeakPolarHBondContact CB-OE2 3.46Å
209	F	95.7	Very high	97.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.6	-40.7	176.4	-168.7	-86.9	0	0	0	112.1	F148 P149 F160 F164 A205 V206 T211 L212 F213 F244 V361 E363	F148-F209 AromaticContact CD1-CE1 3.87Å; F148-F209 HydrophobicContact CD1-CE1 3.87Å; F148-F209 AromaticContact CD1-CZ 3.82Å; F148-F209 HydrophobicContact CD1-CZ 3.82Å; F148-F209 HydrophobicContact CE1-CE1 4.03Å; F148-F209 HydrophobicContact CE1-CZ 4.3Å; P149-F209 HydrophobicContact CG-CD2 3.96Å; P149-F209 HydrophobicContact CG-CE2 3.4Å; P149-F209 VanDerWaalsContact CG-CE2 3.4Å; P149-F209 HydrophobicContact CG-CZ 4.09Å; F160-F209 HydrophobicContact CD2-CD1 4.48Å; F160-F209 HydrophobicContact CE2-CB 4.27Å; F160-F209 AromaticContact CE2-CD1 3.46Å; F160-F209 HydrophobicContact CE2-CD1 3.46Å; F160-F209 VanDerWaalsContact CE2-CD1 3.46Å; F160-F209 HydrophobicContact CE2-CD2 4.25Å; F160-F209 AromaticContact CE2-CE1 3.8Å; F160-F209 HydrophobicContact CE2-CE1 3.8Å; F160-F209 AromaticContact CE2-CG 3.71Å; F160-F209 HydrophobicContact CE2-CG 3.71Å; F160-F209 HydrophobicContact CE2-CZ 4.35Å; F160-F209 HydrophobicContact CZ-CD1 4.01Å; F160-F209 AromaticContact CZ-CE1 3.84Å; F160-F209 HydrophobicContact CZ-CE1 3.84Å; F160-F209 HydrophobicContact CZ-CG 4.5Å; F160-F209 HydrophobicContact CZ-CZ 4.22Å; F164-F209 HydrophobicContact CE2-CD1 4.24Å; F164-F209 HydrophobicContact CE2-CE1 4.14Å; F164-F209 AromaticContact CZ-CD1 3.81Å; F164-F209 HydrophobicContact CZ-CD1 3.81Å; F164-F209 AromaticContact CZ-CE1 3.62Å; F164-F209 HydrophobicContact CZ-CE1 3.62Å; A205-F209 PolarHBondContact O-N 2.89Å; A205-F209 VanDerWaalsContact O-N 3.14Å; V206-F209 PolarHBondContact O-N 3Å; F209-T211 VanDerWaalsContact C-N 3.31Å; F209-T211 PolarHBondContact O-N 3.44Å; F209-L212 WeakPolarHBondContact O-CB 2.89Å; F209-L212 PolarHBondContact O-N 2.72Å; F209-L212 VanDerWaalsContact O-N 3.15Å; F209-F213 PolarHBondContact O-N 2.7Å; F209-F244 HydrophobicContact CZ-CE1 4.05Å; F209-F244 HydrophobicContact CZ-CZ 4.03Å; F209-V361 HydrophobicContact CE2-CG1 4.04Å; F209-E363 WeakPolarHBondContact CD2-OE1 3.11Å; F209-E363 PolarHBondContact N-OE2 2.97Å
210	A	97.4	Very high	97.2	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.4	-39.2	177.1	0	0	0	0	0	112.2	L163 F197 V206 R208 F213 V214	L163-A210 HydrophobicContact CD2-CB 3.69Å; F197-A210 HydrophobicContact CD1-CB 4.02Å; F197-A210 HydrophobicContact CD2-CB 3.71Å; F197-A210 HydrophobicContact CE1-CB 3.88Å; F197-A210 HydrophobicContact CE2-CB 3.56Å; F197-A210 WeakPolarHBondContact CE2-O 3.48Å; F197-A210 HydrophobicContact CG-CB 3.94Å; F197-A210 HydrophobicContact CZ-CB 3.64Å; V206-A210 VanDerWaalsContact O-CB 3.23Å; V206-A210 WeakPolarHBondContact O-CB 3.49Å; V206-A210 PolarHBondContact O-N 2.81Å; R208-A210 VanDerWaalsContact C-N 3.33Å; R208-A210 PolarHBondContact O-N 2.92Å; A210-F213 WeakPolarHBondContact O-CB 3.37Å; A210-F213 PolarHBondContact O-N 2.87Å; A210-V214 PolarHBondContact O-N 3.01Å
211	T	97.1	Very high	97.3	Very high	47 Å²	47	26.5 Å²	26.5	29%	0.288	13%	0.129	S	C	.	.	H	α-helix	trans	-59.6	-49	171.8	-61.4	0	0	0	0	111.3	R207 R208 F209 F213 V214 N215 P222	R207-T211 PolarHBondContact O-N 2.87Å; R207-T211 VanDerWaalsContact O-N 3.09Å; R207-T211 PolarHBondContact O-OG1 3.42Å; R208-T211 WeakPolarHBondContact O-CB 3.28Å; R208-T211 PolarHBondContact O-N 2.85Å; F209-T211 VanDerWaalsContact C-N 3.31Å; F209-T211 PolarHBondContact O-N 3.44Å; T211-F213 VanDerWaalsContact C-N 3.3Å; T211-F213 PolarHBondContact O-N 2.84Å; T211-V214 PolarHBondContact O-N 3.35Å; T211-N215 VanDerWaalsContact O-CG 3.23Å; T211-N215 PolarHBondContact O-N 3.06Å; T211-N215 PolarHBondContact O-OD1 2.67Å; T211-P222 HydrophobicContact CG2-CG 3.89Å
212	L	96.3	Very high	97.3	Very high	15 Å²	15	26.5 Å²	26.5	8%	0.079	13%	0.13	C	C	.	.	H	α-helix	trans	-59.8	-41.8	176.8	179.2	62.8	0	0	0	111.6	R208 F209 V214 N215 V216 V361 E363	R208-L212 PolarHBondContact O-N 2.72Å; R208-L212 VanDerWaalsContact O-N 3.11Å; F209-L212 WeakPolarHBondContact O-CB 2.89Å; F209-L212 PolarHBondContact O-N 2.72Å; F209-L212 VanDerWaalsContact O-N 3.15Å; L212-V214 VanDerWaalsContact C-N 3.34Å; L212-V214 PolarHBondContact O-N 3.09Å; L212-N215 PolarHBondContact O-N 2.81Å; L212-V216 HydrophobicContact CD1-CG2 3.8Å; L212-V216 HydrophobicContact CG-CG2 4.16Å; L212-V216 WeakPolarHBondContact O-CB 3.32Å; L212-V216 VanDerWaalsContact O-CG2 3.31Å; L212-V216 WeakPolarHBondContact O-CG2 3.32Å; L212-V216 PolarHBondContact O-N 3.43Å; L212-V361 HydrophobicContact CD2-CG1 3.43Å; L212-V361 VanDerWaalsContact CD2-CG1 3.43Å; L212-E363 HydrophobicContact CD2-CG 4.02Å
213	F	97.8	Very high	97.3	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-58.6	-43.9	177	-175.4	-91.6	0	0	0	111.7	F148 F164 M167 F209 A210 T211 N217 F230 V234 T240 I243 F244	F148-F213 HydrophobicContact CE1-CD2 4.43Å; F148-F213 HydrophobicContact CE1-CE2 4.36Å; F148-F213 HydrophobicContact CZ-CE2 4.46Å; F164-F213 HydrophobicContact CE1-CD1 4.44Å; F164-F213 AromaticContact CE1-CD2 3.79Å; F164-F213 HydrophobicContact CE1-CD2 3.79Å; F164-F213 AromaticContact CE1-CE2 3.83Å; F164-F213 HydrophobicContact CE1-CE2 3.83Å; F164-F213 HydrophobicContact CE1-CG 4.1Å; F164-F213 HydrophobicContact CE1-CZ 4.22Å; F164-F213 HydrophobicContact CZ-CD2 4.29Å; M167-F213 HydrophobicContact CE-CD1 4.23Å; M167-F213 HydrophobicContact CE-CE1 3.76Å; F209-F213 PolarHBondContact O-N 2.7Å; A210-F213 WeakPolarHBondContact O-CB 3.37Å; A210-F213 PolarHBondContact O-N 2.87Å; T211-F213 VanDerWaalsContact C-N 3.3Å; T211-F213 PolarHBondContact O-N 2.84Å; F213-N217 WeakPolarHBondContact CE1-ND2 3.27Å; F213-N217 WeakPolarHBondContact CZ-ND2 3.27Å; F213-N217 WeakPolarHBondContact O-CB 3.49Å; F213-N217 PolarHBondContact O-N 2.57Å; F213-N217 PolarHBondContact O-ND2 3.05Å; F213-F230 AromaticContact CD1-CE1 3.98Å; F213-F230 HydrophobicContact CD1-CE1 3.98Å; F213-F230 AromaticContact CD1-CZ 3.72Å; F213-F230 HydrophobicContact CD1-CZ 3.72Å; F213-F230 AromaticContact CE1-CE1 3.86Å; F213-F230 HydrophobicContact CE1-CE1 3.86Å; F213-F230 AromaticContact CE1-CZ 3.72Å; F213-F230 HydrophobicContact CE1-CZ 3.72Å; F213-V234 HydrophobicContact CE1-CG2 4.03Å; F213-V234 HydrophobicContact CZ-CG2 4.44Å; F213-T240 HydrophobicContact CZ-CG2 4.4Å; F213-I243 HydrophobicContact CE2-CG2 4.46Å; F213-I243 HydrophobicContact CZ-CG2 3.95Å; F213-F244 AromaticContact CD2-CD2 3.78Å; F213-F244 HydrophobicContact CD2-CD2 3.78Å; F213-F244 HydrophobicContact CD2-CE2 4.14Å; F213-F244 HydrophobicContact CD2-CG 4.18Å; F213-F244 HydrophobicContact CE2-CB 3.9Å; F213-F244 AromaticContact CE2-CD2 3.89Å; F213-F244 HydrophobicContact CE2-CD2 3.89Å; F213-F244 AromaticContact CE2-CG 3.97Å; F213-F244 HydrophobicContact CE2-CG 3.97Å
214	V	98.6	Very high	97.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.5	-50.9	173.6	175.3	0	0	0	0	110.8	M193 F197 A210 T211 L212 V216 N217 V218 P222 V225 F230	M193-V214 HydrophobicContact CB-CG2 4.32Å; M193-V214 HydrophobicContact CE-CG2 4.46Å; F197-V214 HydrophobicContact CE2-CG2 3.56Å; F197-V214 HydrophobicContact CZ-CG2 3.67Å; A210-V214 PolarHBondContact O-N 3.01Å; T211-V214 PolarHBondContact O-N 3.35Å; L212-V214 VanDerWaalsContact C-N 3.34Å; L212-V214 PolarHBondContact O-N 3.09Å; V214-V216 VanDerWaalsContact C-N 3.28Å; V214-V216 PolarHBondContact O-N 2.84Å; V214-N217 PolarHBondContact O-N 3.26Å; V214-V218 HydrophobicContact CG1-CG2 3.73Å; V214-V218 VanDerWaalsContact O-CG2 3.28Å; V214-V218 WeakPolarHBondContact O-CG2 3.39Å; V214-V218 PolarHBondContact O-N 2.9Å; V214-P222 HydrophobicContact CB-CG 4.01Å; V214-P222 HydrophobicContact CG1-CG 4.2Å; V214-P222 HydrophobicContact CG2-CG 4.23Å; V214-V225 HydrophobicContact CG1-CG2 3.96Å; V214-F230 HydrophobicContact CB-CE2 4.14Å; V214-F230 HydrophobicContact CB-CZ 4.18Å; V214-F230 HydrophobicContact CG1-CD2 4.34Å; V214-F230 HydrophobicContact CG1-CE2 4.03Å; V214-F230 HydrophobicContact CG2-CD1 4.45Å; V214-F230 HydrophobicContact CG2-CD2 4.45Å; V214-F230 HydrophobicContact CG2-CE1 3.92Å; V214-F230 HydrophobicContact CG2-CE2 3.95Å; V214-F230 HydrophobicContact CG2-CZ 3.66Å
215	N	98.3	Very high	97.5	Very high	22 Å²	22	21.3 Å²	21.3	12%	0.118	10%	0.1	C	C	.	.	H	α-helix	trans	-57.2	-42.1	-177.6	-62	153.4	0	0	0	111.8	T211 L212 T219 S220 E221 L390	T211-N215 VanDerWaalsContact O-CG 3.23Å; T211-N215 PolarHBondContact O-N 3.06Å; T211-N215 PolarHBondContact O-OD1 2.67Å; L212-N215 PolarHBondContact O-N 2.81Å; N215-T219 WeakPolarHBondContact O-CA 3.12Å; N215-T219 PolarHBondContact O-N 2.99Å; N215-S220 PolarHBondContact ND2-O 2.95Å; N215-E221 PolarHBondContact ND2-OE2 2.75Å; N215-E221 VanDerWaalsContact ND2-OE2 3.11Å; N215-L390 HydrophobicContact CB-CB 4.22Å; N215-L390 HydrophobicContact CB-CD1 4.24Å
216	V	96.9	Very high	97.7	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.03	9%	0.091	C	C	.	.	H	α-helix	trans	-67.7	-41	-179.6	165.4	0	0	0	0	111.8	L212 V214 F244 L371 L390 Y443	L212-V216 HydrophobicContact CD1-CG2 3.8Å; L212-V216 HydrophobicContact CG-CG2 4.16Å; L212-V216 WeakPolarHBondContact O-CB 3.32Å; L212-V216 VanDerWaalsContact O-CG2 3.31Å; L212-V216 WeakPolarHBondContact O-CG2 3.32Å; L212-V216 PolarHBondContact O-N 3.43Å; V214-V216 VanDerWaalsContact C-N 3.28Å; V214-V216 PolarHBondContact O-N 2.84Å; V216-F244 HydrophobicContact CG1-CE2 4.23Å; V216-L371 HydrophobicContact CG1-CD2 3.6Å; V216-L371 HydrophobicContact CG2-CB 3.89Å; V216-L371 HydrophobicContact CG2-CD2 4.1Å; V216-L390 HydrophobicContact CB-CD1 4.36Å; V216-L390 HydrophobicContact CG2-CD1 3.65Å; V216-Y443 WeakPolarHBondContact O-CE2 3.3Å; V216-Y443 PolarHBondContact O-OH 3.31Å
217	N	98.4	Very high	97.8	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-82.9	-33.4	-172.3	-76.7	-64.5	0	0	0	113.4	F213 V214 F230 I243	F213-N217 WeakPolarHBondContact CE1-ND2 3.27Å; F213-N217 WeakPolarHBondContact CZ-ND2 3.27Å; F213-N217 WeakPolarHBondContact O-CB 3.49Å; F213-N217 PolarHBondContact O-N 2.57Å; F213-N217 PolarHBondContact O-ND2 3.05Å; V214-N217 PolarHBondContact O-N 3.26Å; N217-F230 HydrophobicContact CB-CE2 4.27Å; N217-F230 HydrophobicContact CB-CZ 4.44Å; N217-I243 HydrophobicContact CB-CD1 4.33Å; N217-I243 WeakPolarHBondContact OD1-CD1 3.47Å; N217-I243 WeakPolarHBondContact OD1-CG1 3.35Å
218	V	98.5	Very high	97.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-129.9	5.9	-173.9	-58.1	0	0	0	0	114.3	V214 S220 V225 W229 F230 Y233	V214-V218 HydrophobicContact CG1-CG2 3.73Å; V214-V218 VanDerWaalsContact O-CG2 3.28Å; V214-V218 WeakPolarHBondContact O-CG2 3.39Å; V214-V218 PolarHBondContact O-N 2.9Å; V218-S220 PolarHBondContact O-N 3.43Å; V218-S220 PolarHBondContact O-OG 2.79Å; V218-V225 HydrophobicContact CG2-CG1 4.19Å; V218-W229 HydrophobicContact CB-CH2 3.87Å; V218-W229 HydrophobicContact CB-CZ3 3.93Å; V218-W229 HydrophobicContact CG1-CH2 3.49Å; V218-W229 VanDerWaalsContact CG1-CH2 3.49Å; V218-W229 HydrophobicContact CG1-CZ3 3.61Å; V218-W229 HydrophobicContact CG2-CZ3 4.19Å; V218-F230 HydrophobicContact CB-CE2 4.45Å; V218-F230 HydrophobicContact CG1-CD2 3.84Å; V218-F230 HydrophobicContact CG1-CE2 3.78Å; V218-F230 HydrophobicContact CG2-CD2 3.91Å; V218-F230 HydrophobicContact CG2-CE2 3.82Å; V218-Y233 HydrophobicContact CG1-CD1 3.63Å; V218-Y233 HydrophobicContact CG1-CE1 3.62Å; V218-Y233 HydrophobicContact CG1-CG 4.17Å
219	T	98.5	Very high	98.1	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.058	C	C	.	.	S	Bend	trans	57.7	25.6	170	51.8	0	0	0	0	114.5	N215 G337 C338 V339 L390 A391 C442 Y443	N215-T219 WeakPolarHBondContact O-CA 3.12Å; N215-T219 PolarHBondContact O-N 2.99Å; T219-G337 WeakPolarHBondContact OG1-CA 3.31Å; T219-C338 PolarHBondContact O-N 3.22Å; T219-V339 HydrophobicContact CG2-CB 3.88Å; T219-V339 HydrophobicContact CG2-CG1 4.28Å; T219-V339 HydrophobicContact CG2-CG2 4.35Å; T219-L390 HydrophobicContact CG2-CD2 3.82Å; T219-A391 WeakPolarHBondContact O-CA 3.42Å; T219-C442 WeakPolarHBondContact CB-O 3.2Å; T219-C442 PolarHBondContact OG1-O 3.22Å; T219-Y443 HydrophobicContact CG2-CD1 4.22Å; T219-Y443 HydrophobicContact CG2-CD2 3.9Å; T219-Y443 HydrophobicContact CG2-CE1 3.94Å; T219-Y443 HydrophobicContact CG2-CE2 3.63Å; T219-Y443 HydrophobicContact CG2-CG 4.18Å; T219-Y443 PolarHBondContact OG1-N 2.84Å
220	S	98.4	Very high	98.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.058	C	C	.	.	S	Bend	trans	-137.5	168.2	-179.8	-58.4	0	0	0	0	110.1	N215 V218 Y446	N215-S220 PolarHBondContact ND2-O 2.95Å; V218-S220 PolarHBondContact O-N 3.43Å; V218-S220 PolarHBondContact O-OG 2.79Å; S220-Y446 WeakPolarHBondContact OG-CD1 3.48Å; S220-Y446 WeakPolarHBondContact OG-CE1 3.36Å
221	E	98.5	Very high	98.4	Very high	18 Å²	18	11.4 Å²	11.4	8%	0.084	6%	0.058	C	C	.	.			trans	-82.1	149.2	178.7	-61.9	-60	158.7	0	0	112.3	N215 H223 E224 A391 R392	N215-E221 PolarHBondContact ND2-OE2 2.75Å; N215-E221 VanDerWaalsContact ND2-OE2 3.11Å; E221-H223 WeakPolarHBondContact CB-CE1 3.28Å; E221-H223 WeakPolarHBondContact CB-ND1 3.22Å; E221-H223 PolarHBondContact O-N 3.08Å; E221-E224 HydrophobicContact CB-CG 4Å; E221-E224 PolarHBondContact N-OE2 3.02Å; E221-E224 WeakPolarHBondContact O-CB 3.48Å; E221-E224 PolarHBondContact O-N 2.79Å; E221-A391 HydrophobicContact CG-CB 4.24Å; E221-A391 VanDerWaalsContact OE1-CB 3.25Å; E221-A391 WeakPolarHBondContact OE1-CB 3.39Å; E221-R392 HydrophobicContact CG-CB 4.02Å; E221-R392 WeakPolarHBondContact OE1-CB 3.18Å; E221-R392 PolarHBondContact OE1-N 3.02Å
222	P	98.7	Very high	98.5	Very high	4 Å²	4	9.6 Å²	9.6	3%	0.026	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-27.4	176.2	-26.8	33.3	0	0	0	114.9	M193 Q194 F197 T211 V214	M193-P222 HydrophobicContact CB-CB 4.19Å; M193-P222 PolarHBondContact N-O 3.26Å; M193-P222 VanDerWaalsContact N-O 3.12Å; Q194-P222 HydrophobicContact CB-CB 3.94Å; Q194-P222 PolarHBondContact N-O 2.8Å; F197-P222 HydrophobicContact CD2-CB 4.43Å; F197-P222 HydrophobicContact CE2-CB 4.36Å; F197-P222 HydrophobicContact CE2-CG 4.45Å; T211-P222 HydrophobicContact CG2-CG 3.89Å; V214-P222 HydrophobicContact CB-CG 4.01Å; V214-P222 HydrophobicContact CG1-CG 4.2Å; V214-P222 HydrophobicContact CG2-CG 4.23Å
223	H	98.6	Very high	98.6	Very high	85 Å²	85	8.9 Å²	8.9	39%	0.394	4%	0.042	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-10.6	177.6	64.7	-97.8	0	0	0	113.8	T192 Q194 E221	T192-H223 VanDerWaalsContact CG2-O 3.3Å; T192-H223 WeakPolarHBondContact CG2-O 3.28Å; Q194-H223 HydrophobicContact CB-CB 4.16Å; E221-H223 WeakPolarHBondContact CB-CE1 3.28Å; E221-H223 WeakPolarHBondContact CB-ND1 3.22Å; E221-H223 PolarHBondContact O-N 3.08Å
224	E	98.8	Very high	98.6	Very high	36 Å²	36	9 Å²	9	17%	0.168	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-20.6	178.2	-66	172.9	147.3	0	0	111.6	E221 R395 Y446 P448	E221-E224 HydrophobicContact CB-CG 4Å; E221-E224 PolarHBondContact N-OE2 3.02Å; E221-E224 WeakPolarHBondContact O-CB 3.48Å; E221-E224 PolarHBondContact O-N 2.79Å; E224-R395 IonicContact OE1-CZ 3.94Å; E224-R395 IonicContact OE1-NH1 3.28Å; E224-R395 PolarHBondContact OE1-NH1 3.25Å; E224-R395 IonicContact OE1-NH2 3.17Å; E224-R395 PolarHBondContact OE1-NH2 2.8Å; E224-R395 IonicContact OE2-NH1 2.78Å; E224-R395 IonicContact OE2-NH2 2.71Å; E224-Y446 HydrophobicContact CB-CE2 3.91Å; E224-Y446 WeakPolarHBondContact O-CE2 3.44Å; E224-P448 WeakPolarHBondContact O-CA 3.35Å
225	V	98.7	Very high	98.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.051	C	C	.	.	S	Bend	trans	-110.5	135.5	-167.7	-58.6	0	0	0	0	112.6	T192 M193 V214 V218 W229 Y446	T192-V225 CarbonylContact C-O 3.6Å; T192-V225 VanDerWaalsContact CA-O 3.22Å; T192-V225 WeakPolarHBondContact CA-O 3.38Å; M193-V225 HydrophobicContact CB-CG2 3.75Å; M193-V225 HydrophobicContact CG-CG2 3.61Å; M193-V225 PolarHBondContact N-O 3.1Å; V214-V225 HydrophobicContact CG1-CG2 3.96Å; V218-V225 HydrophobicContact CG2-CG1 4.19Å; V225-W229 HydrophobicContact CB-CE3 4.46Å; V225-W229 HydrophobicContact CG1-CZ3 4.36Å; V225-Y446 HydrophobicContact CG1-CD2 3.69Å; V225-Y446 HydrophobicContact CG1-CE2 4.35Å; V225-Y446 HydrophobicContact CG1-CG 4.02Å
226	S	98.9	Very high	98.6	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.046	C	C	.	.	B	Isolated β-bridge	trans	-58.3	135.8	168.8	161.8	0	0	0	0	110.9	D189 L228 W229 F230 F447	D189-S226 VanDerWaalsContact OD1-CB 3.31Å; D189-S226 WeakPolarHBondContact OD1-CB 3.5Å; D189-S226 PolarHBondContact OD1-OG 2.67Å; S226-L228 PolarHBondContact OG-N 3.16Å; S226-W229 PolarHBondContact O-N 2.86Å; S226-W229 PolarHBondContact OG-N 3.17Å; S226-F230 PolarHBondContact O-N 3.38Å; S226-F447 VanDerWaalsContact CB-O 3.25Å; S226-F447 WeakPolarHBondContact CB-O 3.28Å; S226-F447 PolarHBondContact N-O 3.28Å
227	A	98.9	Very high	98.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-68.2	-41.1	176.1	0	0	0	0	0	112.1	W188 M191 M193 L196 W229 F230 L231	W188-A227 WeakPolarHBondContact O-CB 3.42Å; W188-A227 PolarHBondContact O-N 2.85Å; M191-A227 HydrophobicContact CG-CB 3.63Å; M191-A227 PolarHBondContact O-N 2.83Å; M191-A227 HydrophobicContact SD-CB 4.13Å; M193-A227 HydrophobicContact CG-CB 4.42Å; M193-A227 VanDerWaalsContact SD-CA 3.52Å; M193-A227 HydrophobicContact SD-CB 3.72Å; L196-A227 HydrophobicContact CB-CB 4.19Å; L196-A227 HydrophobicContact CD2-CB 4.05Å; A227-W229 VanDerWaalsContact C-N 3.3Å; A227-W229 PolarHBondContact O-N 2.87Å; A227-F230 PolarHBondContact O-N 3.48Å; A227-L231 WeakPolarHBondContact O-CB 3.34Å; A227-L231 WeakPolarHBondContact O-CD1 3.39Å; A227-L231 WeakPolarHBondContact O-CG 3.45Å; A227-L231 PolarHBondContact O-N 3.3Å
228	L	98.9	Very high	98.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-54.9	-49.1	174.2	177.8	66	0	0	0	111	I174 A182 A185 W188 D189 S226 W232 L452 T453	I174-L228 HydrophobicContact CD1-CD1 3.97Å; I174-L228 HydrophobicContact CG1-CD1 4.17Å; I174-L228 HydrophobicContact CG2-CD1 4.41Å; A182-L228 HydrophobicContact CB-CD1 4.19Å; A185-L228 HydrophobicContact CB-CD1 4.45Å; A185-L228 HydrophobicContact CB-CD2 3.88Å; W188-L228 HydrophobicContact CB-CB 3.79Å; W188-L228 HydrophobicContact CB-CD1 4.33Å; W188-L228 HydrophobicContact CE3-CD1 3.92Å; W188-L228 PolarHBondContact O-N 3.31Å; D189-L228 HydrophobicContact CB-CB 3.84Å; D189-L228 HydrophobicContact CB-CD2 3.79Å; D189-L228 HydrophobicContact CB-CG 4.46Å; S226-L228 PolarHBondContact OG-N 3.16Å; L228-W232 WeakPolarHBondContact O-CB 3.22Å; L228-W232 PolarHBondContact O-N 3.4Å; L228-L452 HydrophobicContact CD2-CB 4.48Å; L228-L452 HydrophobicContact CD2-CD2 3.9Å; L228-L452 HydrophobicContact CD2-CG 4.31Å; L228-L452 HydrophobicContact CG-CD2 3.94Å; L228-T453 HydrophobicContact CD2-CG2 3.79Å
229	W	98.9	Very high	98.7	Very high	4 Å²	4	12.1 Å²	12.1	2%	0.015	7%	0.07	C	C	.	.	H	α-helix	trans	-64.5	-43.1	-178.2	177.6	81.6	0	0	0	111.9	V218 V225 S226 A227 W232 Y233 A445 F447 L452	V218-W229 HydrophobicContact CB-CH2 3.87Å; V218-W229 HydrophobicContact CB-CZ3 3.93Å; V218-W229 HydrophobicContact CG1-CH2 3.49Å; V218-W229 VanDerWaalsContact CG1-CH2 3.49Å; V218-W229 HydrophobicContact CG1-CZ3 3.61Å; V218-W229 HydrophobicContact CG2-CZ3 4.19Å; V225-W229 HydrophobicContact CB-CE3 4.46Å; V225-W229 HydrophobicContact CG1-CZ3 4.36Å; S226-W229 PolarHBondContact O-N 2.86Å; S226-W229 PolarHBondContact OG-N 3.17Å; A227-W229 VanDerWaalsContact C-N 3.3Å; A227-W229 PolarHBondContact O-N 2.87Å; W229-W232 AromaticContact CD1-CE3 3.73Å; W229-W232 AromaticContact CD1-CZ3 3.88Å; W229-W232 HydrophobicContact CG-CE3 4.44Å; W229-W232 AromaticContact NE1-CE3 3.73Å; W229-W232 AromaticContact NE1-CZ3 3.44Å; W229-W232 WeakPolarHBondContact O-CB 3.19Å; W229-W232 PolarHBondContact O-N 2.81Å; W229-Y233 HydrophobicContact CH2-CD2 4.07Å; W229-Y233 HydrophobicContact CH2-CE2 4.48Å; W229-Y233 HydrophobicContact CH2-CG 4.27Å; W229-Y233 AromaticContact CZ2-CD2 3.71Å; W229-Y233 HydrophobicContact CZ2-CD2 3.71Å; W229-Y233 HydrophobicContact CZ2-CE2 4.24Å; W229-Y233 HydrophobicContact CZ2-CG 4.24Å; W229-Y233 VanDerWaalsContact O-CB 3.31Å; W229-Y233 WeakPolarHBondContact O-CB 3.44Å; W229-Y233 PolarHBondContact O-N 2.76Å; W229-A445 WeakPolarHBondContact CZ2-O 3.03Å; W229-F447 HydrophobicContact CB-CB 3.83Å; W229-F447 AromaticContact CD1-CD2 3.35Å; W229-F447 AromaticContact CD1-CG 3.54Å; W229-F447 HydrophobicContact CD2-CB 4.11Å; W229-F447 HydrophobicContact CD2-CD2 4.33Å; W229-F447 AromaticContact CE2-CD2 3.88Å; W229-F447 HydrophobicContact CG-CB 3.56Å; W229-F447 HydrophobicContact CG-CD2 4.05Å; W229-F447 AromaticContact CG-CG 4Å; W229-F447 HydrophobicContact CG-CG 4Å; W229-F447 AromaticContact NE1-CD2 3.2Å; W229-F447 AromaticContact NE1-CE2 3.78Å; W229-F447 AromaticContact NE1-CG 3.9Å; W229-L452 HydrophobicContact CB-CD2 3.83Å; W229-L452 HydrophobicContact CG-CD2 4.39Å
230	F	98.9	Very high	98.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-68.2	-41.2	-179.4	-173.1	-95.6	0	0	0	112.3	M167 M193 F213 V214 N217 V218 S226 A227 W232 Y233 V234	M167-F230 HydrophobicContact CE-CD1 4.24Å; M167-F230 HydrophobicContact CE-CE1 3.67Å; M193-F230 HydrophobicContact CE-CD1 3.48Å; M193-F230 VanDerWaalsContact CE-CD1 3.48Å; M193-F230 HydrophobicContact CE-CE1 3.94Å; M193-F230 HydrophobicContact CE-CG 4.31Å; M193-F230 HydrophobicContact CG-CB 3.49Å; M193-F230 VanDerWaalsContact CG-CB 3.49Å; M193-F230 HydrophobicContact CG-CD1 3.88Å; M193-F230 HydrophobicContact CG-CG 3.72Å; M193-F230 HydrophobicContact SD-CB 3.65Å; M193-F230 HydrophobicContact SD-CD1 3.55Å; M193-F230 VanDerWaalsContact SD-CD1 3.55Å; M193-F230 HydrophobicContact SD-CG 3.9Å; F213-F230 AromaticContact CD1-CE1 3.98Å; F213-F230 HydrophobicContact CD1-CE1 3.98Å; F213-F230 AromaticContact CD1-CZ 3.72Å; F213-F230 HydrophobicContact CD1-CZ 3.72Å; F213-F230 AromaticContact CE1-CE1 3.86Å; F213-F230 HydrophobicContact CE1-CE1 3.86Å; F213-F230 AromaticContact CE1-CZ 3.72Å; F213-F230 HydrophobicContact CE1-CZ 3.72Å; V214-F230 HydrophobicContact CB-CE2 4.14Å; V214-F230 HydrophobicContact CB-CZ 4.18Å; V214-F230 HydrophobicContact CG1-CD2 4.34Å; V214-F230 HydrophobicContact CG1-CE2 4.03Å; V214-F230 HydrophobicContact CG2-CD1 4.45Å; V214-F230 HydrophobicContact CG2-CD2 4.45Å; V214-F230 HydrophobicContact CG2-CE1 3.92Å; V214-F230 HydrophobicContact CG2-CE2 3.95Å; V214-F230 HydrophobicContact CG2-CZ 3.66Å; N217-F230 HydrophobicContact CB-CE2 4.27Å; N217-F230 HydrophobicContact CB-CZ 4.44Å; V218-F230 HydrophobicContact CB-CE2 4.45Å; V218-F230 HydrophobicContact CG1-CD2 3.84Å; V218-F230 HydrophobicContact CG1-CE2 3.78Å; V218-F230 HydrophobicContact CG2-CD2 3.91Å; V218-F230 HydrophobicContact CG2-CE2 3.82Å; S226-F230 PolarHBondContact O-N 3.38Å; A227-F230 PolarHBondContact O-N 3.48Å; F230-W232 VanDerWaalsContact C-N 3.34Å; F230-W232 PolarHBondContact O-N 3.39Å; F230-Y233 WeakPolarHBondContact O-CB 2.93Å; F230-Y233 PolarHBondContact O-N 3.4Å; F230-Y233 VanDerWaalsContact O-N 3.16Å; F230-V234 HydrophobicContact CD1-CG2 4.17Å; F230-V234 HydrophobicContact CE1-CG2 3.77Å; F230-V234 HydrophobicContact CZ-CG2 4.01Å; F230-V234 WeakPolarHBondContact O-CG2 3.41Å; F230-V234 PolarHBondContact O-N 2.83Å
231	L	98.9	Very high	98.6	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-61.5	-43.1	174.1	-68.5	166.6	0	0	0	111.3	M167 M170 I174 W188 L196 A227 V234 K235	M167-L231 HydrophobicContact CB-CD2 4.05Å; M167-L231 HydrophobicContact CG-CD2 4.07Å; M170-L231 HydrophobicContact CB-CD1 4.07Å; M170-L231 HydrophobicContact CB-CD2 4.22Å; M170-L231 HydrophobicContact CE-CD1 3.52Å; M170-L231 HydrophobicContact SD-CD1 4.15Å; M170-L231 HydrophobicContact SD-CD2 4.48Å; I174-L231 HydrophobicContact CD1-CB 3.5Å; W188-L231 HydrophobicContact CD2-CD1 4.43Å; W188-L231 HydrophobicContact CE3-CD1 4.36Å; L196-L231 HydrophobicContact CD2-CD1 4.11Å; L196-L231 HydrophobicContact CD2-CD2 4.42Å; L196-L231 HydrophobicContact CD2-CG 4.47Å; A227-L231 WeakPolarHBondContact O-CB 3.34Å; A227-L231 WeakPolarHBondContact O-CD1 3.39Å; A227-L231 WeakPolarHBondContact O-CG 3.45Å; A227-L231 PolarHBondContact O-N 3.3Å; L231-V234 PolarHBondContact O-N 2.88Å; L231-K235 WeakPolarHBondContact O-CB 3.32Å; L231-K235 PolarHBondContact O-N 3.37Å
232	W	98.9	Very high	98.6	Very high	9 Å²	9	15.2 Å²	15.2	3%	0.034	8%	0.084	C	C	.	.	H	α-helix	trans	-58	-48	170.9	168.4	77.3	0	0	0	111.4	I174 R176 P179 L228 W229 F230 V234 K235 Q236	I174-W232 HydrophobicContact CG2-CB 4Å; I174-W232 HydrophobicContact CG2-CG 4.43Å; R176-W232 PolarHBondContact O-NE1 2.55Å; P179-W232 HydrophobicContact CB-CB 4.02Å; P179-W232 HydrophobicContact CB-CG 3.76Å; P179-W232 HydrophobicContact CG-CD2 4.28Å; P179-W232 HydrophobicContact CG-CG 3.99Å; L228-W232 WeakPolarHBondContact O-CB 3.22Å; L228-W232 PolarHBondContact O-N 3.4Å; W229-W232 AromaticContact CD1-CE3 3.73Å; W229-W232 AromaticContact CD1-CZ3 3.88Å; W229-W232 HydrophobicContact CG-CE3 4.44Å; W229-W232 AromaticContact NE1-CE3 3.73Å; W229-W232 AromaticContact NE1-CZ3 3.44Å; W229-W232 WeakPolarHBondContact O-CB 3.19Å; W229-W232 PolarHBondContact O-N 2.81Å; F230-W232 VanDerWaalsContact C-N 3.34Å; F230-W232 PolarHBondContact O-N 3.39Å; W232-V234 VanDerWaalsContact C-N 3.33Å; W232-V234 PolarHBondContact O-N 3.23Å; W232-K235 WeakPolarHBondContact O-CB 3.29Å; W232-K235 PolarHBondContact O-N 2.82Å; W232-Q236 HydrophobicContact CD2-CG 4.25Å; W232-Q236 HydrophobicContact CH2-CG 4.5Å; W232-Q236 HydrophobicContact CZ2-CG 4.2Å; W232-Q236 WeakPolarHBondContact O-CB 3.39Å; W232-Q236 WeakPolarHBondContact O-CG 3.45Å; W232-Q236 PolarHBondContact O-N 2.96Å
233	Y	98.9	Very high	98.6	Very high	1 Å²	1	15 Å²	15	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-60.3	-40.3	-177.6	-172.4	-93.9	0	0	0	112.1	V218 W229 F230 Q236 C237 I243 T444 S478 Y480	V218-Y233 HydrophobicContact CG1-CD1 3.63Å; V218-Y233 HydrophobicContact CG1-CE1 3.62Å; V218-Y233 HydrophobicContact CG1-CG 4.17Å; W229-Y233 HydrophobicContact CH2-CD2 4.07Å; W229-Y233 HydrophobicContact CH2-CE2 4.48Å; W229-Y233 HydrophobicContact CH2-CG 4.27Å; W229-Y233 AromaticContact CZ2-CD2 3.71Å; W229-Y233 HydrophobicContact CZ2-CD2 3.71Å; W229-Y233 HydrophobicContact CZ2-CE2 4.24Å; W229-Y233 HydrophobicContact CZ2-CG 4.24Å; W229-Y233 VanDerWaalsContact O-CB 3.31Å; W229-Y233 WeakPolarHBondContact O-CB 3.44Å; W229-Y233 PolarHBondContact O-N 2.76Å; F230-Y233 WeakPolarHBondContact O-CB 2.93Å; F230-Y233 PolarHBondContact O-N 3.4Å; F230-Y233 VanDerWaalsContact O-N 3.16Å; Y233-Q236 WeakPolarHBondContact O-CG 3.24Å; Y233-Q236 PolarHBondContact O-NE2 3.14Å; Y233-C237 PolarHBondContact O-N 2.81Å; Y233-C237 PolarHBondContact O-SG 2.72Å; Y233-I243 HydrophobicContact CD1-CD1 4Å; Y233-I243 HydrophobicContact CE1-CD1 3.84Å; Y233-T444 HydrophobicContact CE2-CG2 3.91Å; Y233-S478 WeakPolarHBondContact CE2-O 3.27Å; Y233-Y480 HydrophobicContact CE1-CE2 4.49Å; Y233-Y480 WeakPolarHBondContact OH-CE2 3.4Å
234	V	98.9	Very high	98.5	Very high	3 Å²	3	11.8 Å²	11.8	2%	0.018	7%	0.068	C	C	.	.	H	α-helix	trans	-68.9	-46.6	174	173.6	0	0	0	0	111	M167 F213 F230 L231 W232 Q236 C237 G238 G239 T240 I243	M167-V234 HydrophobicContact CE-CG2 4.41Å; F213-V234 HydrophobicContact CE1-CG2 4.03Å; F213-V234 HydrophobicContact CZ-CG2 4.44Å; F230-V234 HydrophobicContact CD1-CG2 4.17Å; F230-V234 HydrophobicContact CE1-CG2 3.77Å; F230-V234 HydrophobicContact CZ-CG2 4.01Å; F230-V234 WeakPolarHBondContact O-CG2 3.41Å; F230-V234 PolarHBondContact O-N 2.83Å; L231-V234 PolarHBondContact O-N 2.88Å; W232-V234 VanDerWaalsContact C-N 3.33Å; W232-V234 PolarHBondContact O-N 3.23Å; V234-Q236 PolarHBondContact O-N 3.22Å; V234-C237 PolarHBondContact O-N 3.34Å; V234-G238 PolarHBondContact O-N 3.32Å; V234-G239 PolarHBondContact O-N 2.6Å; V234-T240 HydrophobicContact CG1-CG2 3.85Å; V234-I243 HydrophobicContact CG1-CG2 4.37Å
235	K	98.6	Very high	98.5	Very high	40 Å²	40	10.1 Å²	10.1	17%	0.174	6%	0.06	C	C	.	.	H	α-helix	trans	-58.2	-45	179.5	-177.1	-135.5	-179.3	87.6	0	112.3	G171 Q172 I174 R176 L231 W232 C237 G238	G171-K235 WeakPolarHBondContact O-CD 3.35Å; G171-K235 WeakPolarHBondContact O-CE 3.42Å; G171-K235 VanDerWaalsContact O-CG 3.25Å; G171-K235 WeakPolarHBondContact O-CG 3.24Å; G171-K235 PolarHBondContact O-NZ 3.15Å; Q172-K235 PolarHBondContact O-NZ 3.04Å; I174-K235 HydrophobicContact CB-CD 4.46Å; I174-K235 WeakPolarHBondContact O-CD 3.18Å; I174-K235 WeakPolarHBondContact O-CE 3.21Å; I174-K235 PolarHBondContact O-NZ 2.64Å; R176-K235 HydrophobicContact CG-CD 4.04Å; L231-K235 WeakPolarHBondContact O-CB 3.32Å; L231-K235 PolarHBondContact O-N 3.37Å; W232-K235 WeakPolarHBondContact O-CB 3.29Å; W232-K235 PolarHBondContact O-N 2.82Å; K235-C237 PolarHBondContact O-N 3.31Å; K235-G238 PolarHBondContact O-N 2.91Å
236	Q	98.5	Very high	98.4	Very high	3 Å²	3	10.5 Å²	10.5	1%	0.014	6%	0.062	C	C	.	.	H	α-helix	trans	-73.2	-15	-177	66.7	82	28.3	0	0	113.6	W232 Y233 V234 S475 E476 W477 S478	W232-Q236 HydrophobicContact CD2-CG 4.25Å; W232-Q236 HydrophobicContact CH2-CG 4.5Å; W232-Q236 HydrophobicContact CZ2-CG 4.2Å; W232-Q236 WeakPolarHBondContact O-CB 3.39Å; W232-Q236 WeakPolarHBondContact O-CG 3.45Å; W232-Q236 PolarHBondContact O-N 2.96Å; Y233-Q236 WeakPolarHBondContact O-CG 3.24Å; Y233-Q236 PolarHBondContact O-NE2 3.14Å; V234-Q236 PolarHBondContact O-N 3.22Å; Q236-S475 WeakPolarHBondContact CB-O 3.42Å; Q236-E476 VanDerWaalsContact OE1-C 3.31Å; Q236-W477 PolarHBondContact O-N 2.94Å; Q236-S478 PolarHBondContact NE2-O 3.08Å; Q236-S478 VanDerWaalsContact NE2-O 3.12Å
237	C	98.6	Very high	98.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	5.2	166.4	-69.3	0	0	0	0	113.5	Y233 V234 K235 R242 I243 W477	Y233-C237 PolarHBondContact O-N 2.81Å; Y233-C237 PolarHBondContact O-SG 2.72Å; V234-C237 PolarHBondContact O-N 3.34Å; K235-C237 PolarHBondContact O-N 3.31Å; C237-R242 WeakPolarHBondContact O-CB 3.46Å; C237-R242 WeakPolarHBondContact O-CG 3.46Å; C237-I243 HydrophobicContact CB-CB 3.91Å; C237-I243 HydrophobicContact CB-CD1 3.76Å; C237-I243 HydrophobicContact CB-CG1 3.76Å; C237-W477 HydrophobicContact CB-CD2 4.29Å; C237-W477 HydrophobicContact CB-CE3 3.89Å; C237-W477 HydrophobicContact CB-CH2 4.23Å; C237-W477 HydrophobicContact CB-CZ3 3.85Å; C237-W477 VanDerWaalsContact O-CZ2 3.29Å; C237-W477 WeakPolarHBondContact O-CZ2 3.28Å; C237-W477 VanDerWaalsContact SG-CE3 3.55Å
238	G	97.9	Very high	98.4	Very high	43 Å²	43	14.9 Å²	14.9	44%	0.443	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	17.1	178.7	0	0	0	0	0	115.4	V234 K235	V234-G238 PolarHBondContact O-N 3.32Å; K235-G238 PolarHBondContact O-N 2.91Å
239	G	98.3	Very high	98.3	Very high	8 Å²	8	14.9 Å²	14.9	8%	0.082	9%	0.089	C	C	.	.	S	Bend	trans	96.1	175.6	174.6	0	0	0	0	0	114.2	D168 V234 M241 R242 I243	D168-G239 WeakPolarHBondContact OD1-CA 3.42Å; V234-G239 PolarHBondContact O-N 2.6Å; G239-M241 PolarHBondContact O-N 3.39Å; G239-R242 PolarHBondContact O-N 3.18Å; G239-I243 WeakPolarHBondContact O-CG2 3.31Å; G239-I243 PolarHBondContact O-N 3.18Å; G239-I243 VanDerWaalsContact O-N 3.15Å
240	T	98.1	Very high	98.3	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.018	9%	0.088	C	C	.	.	H	α-helix	trans	-58.5	-42.5	-170.8	60.9	0	0	0	0	113.3	F164 M167 D168 F213 V234 I243 F244	F164-T240 HydrophobicContact CB-CG2 4.29Å; F164-T240 HydrophobicContact CD1-CG2 3.69Å; F164-T240 HydrophobicContact CG-CG2 4.48Å; M167-T240 HydrophobicContact CB-CG2 4.18Å; M167-T240 HydrophobicContact CE-CG2 4.3Å; D168-T240 WeakPolarHBondContact OD1-CG2 3.46Å; D168-T240 PolarHBondContact OD1-N 3.15Å; D168-T240 PolarHBondContact OD2-OG1 3.21Å; F213-T240 HydrophobicContact CZ-CG2 4.4Å; V234-T240 HydrophobicContact CG1-CG2 3.85Å; T240-I243 WeakPolarHBondContact O-CG2 3.32Å; T240-F244 WeakPolarHBondContact O-CB 3.13Å; T240-F244 PolarHBondContact O-N 3.42Å
241	M	97.5	Very high	98.2	Very high	59 Å²	59	15.8 Å²	15.8	29%	0.291	9%	0.093	S	C	.	.	H	α-helix	trans	-66	-45.2	177.9	-71.7	-64.8	-67.6	0	0	112.2	S147 F148 G239 F244 S245 F522	S147-M241 WeakPolarHBondContact OG-CE 3.15Å; F148-M241 HydrophobicContact CD2-SD 3.69Å; F148-M241 HydrophobicContact CE2-CG 4.45Å; F148-M241 HydrophobicContact CE2-SD 3.32Å; F148-M241 WeakPolarHBondContact CE2-SD 3.05Å; F148-M241 HydrophobicContact CZ-SD 4.42Å; G239-M241 PolarHBondContact O-N 3.39Å; M241-F244 PolarHBondContact O-N 3.41Å; M241-S245 VanDerWaalsContact O-CB 3.28Å; M241-S245 WeakPolarHBondContact O-CB 3.35Å; M241-S245 PolarHBondContact O-N 2.85Å; M241-S245 VanDerWaalsContact O-N 3.07Å; M241-S245 PolarHBondContact O-OG 2.73Å; M241-F522 HydrophobicContact CB-CB 4.19Å; M241-F522 HydrophobicContact CB-CD1 3.74Å; M241-F522 HydrophobicContact CB-CD2 3.78Å; M241-F522 HydrophobicContact CB-CE1 3.98Å; M241-F522 HydrophobicContact CB-CE2 4.02Å; M241-F522 HydrophobicContact CB-CG 3.63Å; M241-F522 HydrophobicContact CB-CZ 4.11Å; M241-F522 HydrophobicContact CE-CD1 3.67Å; M241-F522 HydrophobicContact CE-CE1 3.85Å; M241-F522 HydrophobicContact CG-CB 4.45Å; M241-F522 HydrophobicContact CG-CD1 4.26Å; M241-F522 HydrophobicContact CG-CG 4.29Å
242	R	98.3	Very high	98.2	Very high	20 Å²	20	16.5 Å²	16.5	8%	0.075	10%	0.096	C	C	.	.	H	α-helix	trans	-66.8	-42.6	-175.1	-174.7	71.8	67.7	-169.1	-1.3	111.9	C237 G239 F244 N248 G249 G250 W477 L520 F522	C237-R242 WeakPolarHBondContact O-CB 3.46Å; C237-R242 WeakPolarHBondContact O-CG 3.46Å; G239-R242 PolarHBondContact O-N 3.18Å; R242-F244 VanDerWaalsContact C-N 3.32Å; R242-F244 PolarHBondContact O-N 3.42Å; R242-N248 WeakPolarHBondContact CD-O 3.47Å; R242-N248 PolarHBondContact NH1-ND2 2.93Å; R242-N248 PolarHBondContact NH1-O 3.27Å; R242-N248 PolarHBondContact NH1-OD1 3.07Å; R242-G249 CarbonylContact O-C 3.56Å; R242-G249 WeakPolarHBondContact O-CA 3.3Å; R242-G250 PolarHBondContact O-N 3.02Å; R242-W477 HydrophobicContact CG-CH2 3.92Å; R242-W477 HydrophobicContact CG-CZ2 3.72Å; R242-L520 PolarHBondContact NH1-O 3.3Å; R242-L520 PolarHBondContact NH2-O 2.94Å; R242-F522 HydrophobicContact CB-CD2 4.48Å; R242-F522 HydrophobicContact CB-CE2 3.92Å
243	I	98.4	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-72.6	-25	-176	-159.5	178.7	0	0	0	113	F213 N217 Y233 V234 C237 G239 T240 Q251 Y480	F213-I243 HydrophobicContact CE2-CG2 4.46Å; F213-I243 HydrophobicContact CZ-CG2 3.95Å; N217-I243 HydrophobicContact CB-CD1 4.33Å; N217-I243 WeakPolarHBondContact OD1-CD1 3.47Å; N217-I243 WeakPolarHBondContact OD1-CG1 3.35Å; Y233-I243 HydrophobicContact CD1-CD1 4Å; Y233-I243 HydrophobicContact CE1-CD1 3.84Å; V234-I243 HydrophobicContact CG1-CG2 4.37Å; C237-I243 HydrophobicContact CB-CB 3.91Å; C237-I243 HydrophobicContact CB-CD1 3.76Å; C237-I243 HydrophobicContact CB-CG1 3.76Å; G239-I243 WeakPolarHBondContact O-CG2 3.31Å; G239-I243 PolarHBondContact O-N 3.18Å; G239-I243 VanDerWaalsContact O-N 3.15Å; T240-I243 WeakPolarHBondContact O-CG2 3.32Å; I243-Q251 PolarHBondContact O-NE2 2.79Å; I243-Q251 PolarHBondContact O-OE1 2.85Å; I243-Q251 VanDerWaalsContact O-OE1 3.13Å; I243-Y480 WeakPolarHBondContact CG1-OH 3.47Å
244	F	97.3	Very high	98.2	Very high	18 Å²	18	18 Å²	18	8%	0.079	10%	0.102	C	C	.	.	H	α-helix	trans	-103.7	-21.3	-173.6	-162.3	-107.9	0	0	0	114.6	S147 F148 F209 F213 V216 T240 M241 R242	S147-F244 VanDerWaalsContact O-CD1 3.31Å; S147-F244 WeakPolarHBondContact O-CD1 3.47Å; S147-F244 WeakPolarHBondContact O-CE1 3.4Å; F148-F244 AromaticContact CD1-CD1 3.73Å; F148-F244 HydrophobicContact CD1-CD1 3.73Å; F148-F244 AromaticContact CD1-CE1 3.84Å; F148-F244 HydrophobicContact CD1-CE1 3.84Å; F148-F244 HydrophobicContact CE1-CB 4.36Å; F148-F244 AromaticContact CE1-CD1 3.38Å; F148-F244 HydrophobicContact CE1-CD1 3.38Å; F148-F244 AromaticContact CE1-CE1 3.85Å; F148-F244 HydrophobicContact CE1-CE1 3.85Å; F148-F244 AromaticContact CE1-CG 3.98Å; F148-F244 HydrophobicContact CE1-CG 3.98Å; F148-F244 HydrophobicContact CZ-CB 4.41Å; F148-F244 HydrophobicContact CZ-CD1 4.14Å; F209-F244 HydrophobicContact CZ-CE1 4.05Å; F209-F244 HydrophobicContact CZ-CZ 4.03Å; F213-F244 AromaticContact CD2-CD2 3.78Å; F213-F244 HydrophobicContact CD2-CD2 3.78Å; F213-F244 HydrophobicContact CD2-CE2 4.14Å; F213-F244 HydrophobicContact CD2-CG 4.18Å; F213-F244 HydrophobicContact CE2-CB 3.9Å; F213-F244 AromaticContact CE2-CD2 3.89Å; F213-F244 HydrophobicContact CE2-CD2 3.89Å; F213-F244 AromaticContact CE2-CG 3.97Å; F213-F244 HydrophobicContact CE2-CG 3.97Å; V216-F244 HydrophobicContact CG1-CE2 4.23Å; T240-F244 WeakPolarHBondContact O-CB 3.13Å; T240-F244 PolarHBondContact O-N 3.42Å; M241-F244 PolarHBondContact O-N 3.41Å; R242-F244 VanDerWaalsContact C-N 3.32Å; R242-F244 PolarHBondContact O-N 3.42Å
245	S	97.9	Very high	98.2	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.007	10%	0.101	C	C	.	.			trans	-76.6	147.3	-176.5	-55.3	0	0	0	0	113	S147 M241 T247 G249 G250 Q251	S147-S245 VanDerWaalsContact CB-OG 3.23Å; S147-S245 WeakPolarHBondContact CB-OG 3.14Å; S147-S245 PolarHBondContact OG-OG 3.41Å; M241-S245 VanDerWaalsContact O-CB 3.28Å; M241-S245 WeakPolarHBondContact O-CB 3.35Å; M241-S245 PolarHBondContact O-N 2.85Å; M241-S245 VanDerWaalsContact O-N 3.07Å; M241-S245 PolarHBondContact O-OG 2.73Å; S245-T247 WeakPolarHBondContact CB-O 3.3Å; S245-G249 CarbonylContact O-C 3.58Å; S245-G249 WeakPolarHBondContact O-CA 3.23Å; S245-G250 PolarHBondContact O-N 2.89Å; S245-Q251 PolarHBondContact O-N 3.17Å; S245-Q251 PolarHBondContact O-OE1 3.29Å
246	T	97.7	Very high	98.2	Very high	8 Å²	8	17.5 Å²	17.5	5%	0.049	11%	0.106	C	C	.	.	S	Bend	trans	-79.3	-74.3	161.8	-46.7	0	0	0	0	109.2	V127 E129 N248 G249 Q251 E252	V127-T246 HydrophobicContact CB-CG2 3.81Å; V127-T246 HydrophobicContact CG1-CG2 4.03Å; E129-T246 HydrophobicContact CB-CG2 4.42Å; E129-T246 VanDerWaalsContact CD-CB 3.48Å; E129-T246 WeakPolarHBondContact OE1-CB 3.2Å; E129-T246 PolarHBondContact OE1-OG1 3.02Å; E129-T246 WeakPolarHBondContact OE2-CB 3.47Å; T246-N248 PolarHBondContact O-N 3.18Å; T246-G249 PolarHBondContact O-N 3.3Å; T246-Q251 HydrophobicContact CG2-CB 4.45Å; T246-E252 WeakPolarHBondContact O-CA 3.27Å; T246-E252 WeakPolarHBondContact O-CB 3.36Å; T246-E252 PolarHBondContact O-N 2.92Å; T246-E252 VanDerWaalsContact O-N 3.15Å
247	T	97.9	Very high	98.2	Very high	77 Å²	77	18.1 Å²	18.1	47%	0.472	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	129.5	175.1	-63.1	0	0	0	0	110.6	E129 S245 G249	E129-T247 WeakPolarHBondContact OE2-CB 3.24Å; E129-T247 PolarHBondContact OE2-N 2.84Å; E129-T247 PolarHBondContact OE2-OG1 2.74Å; S245-T247 WeakPolarHBondContact CB-O 3.3Å; T247-G249 PolarHBondContact O-N 2.86Å; T247-G249 VanDerWaalsContact O-N 3.15Å
248	N	98	Very high	98.2	Very high	15 Å²	15	18.1 Å²	18.1	8%	0.08	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	16.2	-175.9	-166.1	44.4	0	0	0	114.2	R242 T246 E252 L520 F522	R242-N248 WeakPolarHBondContact CD-O 3.47Å; R242-N248 PolarHBondContact NH1-ND2 2.93Å; R242-N248 PolarHBondContact NH1-O 3.27Å; R242-N248 PolarHBondContact NH1-OD1 3.07Å; T246-N248 PolarHBondContact O-N 3.18Å; N248-E252 WeakPolarHBondContact CA-OE2 3.45Å; N248-E252 PolarHBondContact N-OE2 2.75Å; N248-L520 PolarHBondContact ND2-O 3.34Å; N248-L520 WeakPolarHBondContact OD1-CB 3.5Å; N248-L520 PolarHBondContact OD1-N 2.75Å; N248-L520 PolarHBondContact OD1-O 3.39Å; N248-F522 HydrophobicContact CB-CE1 4.44Å; N248-F522 HydrophobicContact CB-CZ 4.1Å; N248-F522 WeakPolarHBondContact ND2-CZ 3.47Å; N248-F522 WeakPolarHBondContact O-CE2 3.47Å; N248-F522 VanDerWaalsContact O-CZ 3.24Å; N248-F522 WeakPolarHBondContact O-CZ 3.35Å
249	G	98.3	Very high	98.2	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-124	-168.8	179.5	0	0	0	0	0	113.8	G107 P108 R242 S245 T246 T247 Q251 E252	G107-G249 WeakPolarHBondContact CA-O 3.47Å; P108-G249 WeakPolarHBondContact CD-O 3.23Å; R242-G249 CarbonylContact O-C 3.56Å; R242-G249 WeakPolarHBondContact O-CA 3.3Å; S245-G249 CarbonylContact O-C 3.58Å; S245-G249 WeakPolarHBondContact O-CA 3.23Å; T246-G249 PolarHBondContact O-N 3.3Å; T247-G249 PolarHBondContact O-N 2.86Å; T247-G249 VanDerWaalsContact O-N 3.15Å; G249-Q251 PolarHBondContact O-N 3.28Å; G249-E252 PolarHBondContact O-N 2.93Å
250	G	97.8	Very high	98.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.7	-177.4	0	0	0	0	0	114.6	I106 R242 S245	I106-G250 CarbonylContact C-O 3.38Å; R242-G250 PolarHBondContact O-N 3.02Å; S245-G250 PolarHBondContact O-N 2.89Å
251	Q	98.5	Very high	98.3	Very high	22 Å²	22	18 Å²	18	10%	0.103	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	2.1	-172.9	-67.8	79.5	-24.3	0	0	112	Y105 V127 I243 S245 T246 G249 R253 L373	Y105-Q251 HydrophobicContact CD1-CB 4.49Å; V127-Q251 VanDerWaalsContact CG2-O 3.24Å; V127-Q251 WeakPolarHBondContact CG2-O 3.32Å; I243-Q251 PolarHBondContact O-NE2 2.79Å; I243-Q251 PolarHBondContact O-OE1 2.85Å; I243-Q251 VanDerWaalsContact O-OE1 3.13Å; S245-Q251 PolarHBondContact O-N 3.17Å; S245-Q251 PolarHBondContact O-OE1 3.29Å; T246-Q251 HydrophobicContact CG2-CB 4.45Å; G249-Q251 PolarHBondContact O-N 3.28Å; Q251-R253 VanDerWaalsContact C-N 3.28Å; Q251-R253 PolarHBondContact O-N 2.92Å; Q251-R253 VanDerWaalsContact O-N 3.17Å; Q251-L373 HydrophobicContact CB-CD2 4.15Å; Q251-L373 HydrophobicContact CG-CD2 4.5Å
252	E	98.8	Very high	98.3	Very high	17 Å²	17	15.2 Å²	15.2	8%	0.079	9%	0.085	C	C	.	.	S	Bend	trans	-56.6	-39.5	-169	-165.4	-179.5	89.8	0	0	113.4	K126 V127 T246 N248 G249	K126-E252 CarbonylContact C-O 3.52Å; K126-E252 VanDerWaalsContact CA-O 3.29Å; K126-E252 WeakPolarHBondContact CA-O 3.21Å; V127-E252 PolarHBondContact N-O 3.08Å; T246-E252 WeakPolarHBondContact O-CA 3.27Å; T246-E252 WeakPolarHBondContact O-CB 3.36Å; T246-E252 PolarHBondContact O-N 2.92Å; T246-E252 VanDerWaalsContact O-N 3.15Å; N248-E252 WeakPolarHBondContact CA-OE2 3.45Å; N248-E252 PolarHBondContact N-OE2 2.75Å; G249-E252 PolarHBondContact O-N 2.93Å
253	R	98.8	Very high	98.3	Very high	39 Å²	39	14.2 Å²	14.2	15%	0.147	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	158.7	-166.2	-69.2	168.9	-177.8	-100.9	6.3	113.2	Y105 I106 T124 Y125 K126 Q251	Y105-R253 CarbonylContact C-O 3.51Å; Y105-R253 VanDerWaalsContact CA-O 3.3Å; Y105-R253 WeakPolarHBondContact CA-O 3.4Å; I106-R253 HydrophobicContact CD1-CB 4.39Å; I106-R253 HydrophobicContact CG1-CB 4.01Å; I106-R253 PolarHBondContact N-O 2.6Å; I106-R253 WeakPolarHBondContact O-CA 3.43Å; I106-R253 WeakPolarHBondContact O-CB 3.29Å; I106-R253 PolarHBondContact O-N 2.82Å; T124-R253 PolarHBondContact OG1-NH1 2.85Å; T124-R253 VanDerWaalsContact OG1-NH1 3.13Å; Y125-R253 CarbonylContact O-C 3.59Å; Y125-R253 WeakPolarHBondContact O-CA 3.4Å; Y125-R253 WeakPolarHBondContact O-CB 3.45Å; K126-R253 HydrophobicContact CG-CG 4.3Å; Q251-R253 VanDerWaalsContact C-N 3.28Å; Q251-R253 PolarHBondContact O-N 2.92Å; Q251-R253 VanDerWaalsContact O-N 3.17Å
254	K	98.8	Very high	98.4	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.009	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	163.7	168.3	-68.8	174.6	66.4	-167.2	0	110.3	A104 Y105 T124 Y125 V127 D375	A104-K254 HydrophobicContact CB-CG 4.49Å; Y105-K254 HydrophobicContact CD1-CD 4.25Å; Y105-K254 HydrophobicContact CD1-CG 3.81Å; Y105-K254 HydrophobicContact CE1-CD 3.84Å; Y105-K254 HydrophobicContact CE1-CG 3.94Å; T124-K254 CarbonylContact C-O 3.43Å; T124-K254 VanDerWaalsContact CA-O 3.23Å; T124-K254 WeakPolarHBondContact CA-O 3.31Å; Y125-K254 HydrophobicContact CD1-CB 4.4Å; Y125-K254 WeakPolarHBondContact CD1-O 3.39Å; Y125-K254 HydrophobicContact CE1-CB 3.72Å; Y125-K254 HydrophobicContact CE2-CB 4.24Å; Y125-K254 HydrophobicContact CE2-CD 4.5Å; Y125-K254 PolarHBondContact N-O 3.18Å; Y125-K254 PolarHBondContact O-N 3.33Å; Y125-K254 VanDerWaalsContact OH-CE 3.3Å; Y125-K254 WeakPolarHBondContact OH-CE 3.47Å; Y125-K254 PolarHBondContact OH-NZ 3.43Å; Y125-K254 VanDerWaalsContact OH-NZ 3.15Å; V127-K254 HydrophobicContact CG2-CD 4.16Å; V127-K254 HydrophobicContact CG2-CG 4.05Å; K254-D375 IonicContact NZ-OD1 3.26Å; K254-D375 PolarHBondContact NZ-OD1 2.77Å; K254-D375 IonicContact NZ-OD2 3.58Å; K254-D375 PolarHBondContact NZ-OD2 3.49Å
255	F	98.8	Very high	98.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	129.1	172.9	-59.8	-67.5	0	0	0	111.5	I106 I113 A117 I122 T124 G257 G258 I262 M481	I106-F255 HydrophobicContact CB-CZ 4.44Å; I106-F255 HydrophobicContact CD1-CD1 4.1Å; I106-F255 HydrophobicContact CD1-CE1 3.34Å; I106-F255 HydrophobicContact CD1-CE2 4.19Å; I106-F255 HydrophobicContact CD1-CZ 3.41Å; I106-F255 VanDerWaalsContact CD1-CZ 3.41Å; I106-F255 HydrophobicContact CG1-CE1 4.27Å; I106-F255 HydrophobicContact CG1-CE2 4.29Å; I106-F255 HydrophobicContact CG1-CZ 3.95Å; I106-F255 HydrophobicContact CG2-CE2 3.87Å; I106-F255 HydrophobicContact CG2-CZ 3.71Å; I113-F255 HydrophobicContact CG1-CZ 3.93Å; A117-F255 HydrophobicContact CB-CD1 4.08Å; A117-F255 HydrophobicContact CB-CE1 3.45Å; A117-F255 VanDerWaalsContact CB-CE1 3.45Å; A117-F255 HydrophobicContact CB-CZ 4.36Å; I122-F255 HydrophobicContact CG2-CB 3.97Å; I122-F255 HydrophobicContact CG2-CD1 3.78Å; I122-F255 HydrophobicContact CG2-CG 4.2Å; T124-F255 HydrophobicContact CG2-CD1 3.95Å; T124-F255 HydrophobicContact CG2-CE1 4.01Å; F255-G257 PolarHBondContact O-N 2.98Å; F255-G258 PolarHBondContact O-N 3.42Å; F255-G258 VanDerWaalsContact O-N 3.11Å; F255-I262 HydrophobicContact CE1-CD1 4.42Å; F255-I262 HydrophobicContact CE2-CG1 4.38Å; F255-I262 HydrophobicContact CZ-CD1 4.45Å; F255-I262 HydrophobicContact CZ-CG1 4.35Å; F255-M481 HydrophobicContact CE2-CE 3.96Å; F255-M481 HydrophobicContact CE2-SD 4.09Å
256	A	98.4	Very high	98.5	Very high	33 Å²	33	18.6 Å²	18.6	27%	0.273	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	123.5	169.1	0	0	0	0	0	108.8	K123 Y125 Q261	K123-A256 HydrophobicContact CB-CB 4.29Å; K123-A256 PolarHBondContact O-N 2.78Å; Y125-A256 HydrophobicContact CD1-CB 4.21Å; A256-Q261 PolarHBondContact O-NE2 3.09Å
257	G	98	Very high	98.5	Very high	15 Å²	15	19 Å²	19	16%	0.155	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	-3.5	-173.3	0	0	0	0	0	115.7	W98 F255 Q261	W98-G257 VanDerWaalsContact CD1-C 3.41Å; F255-G257 PolarHBondContact O-N 2.98Å; G257-Q261 VanDerWaalsContact CA-NE2 3.3Å; G257-Q261 PolarHBondContact O-NE2 3.47Å
258	G	98.6	Very high	98.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.			trans	96.6	158.1	174.3	0	0	0	0	0	115.6	T90 D100 F255 Q261	T90-G258 WeakPolarHBondContact OG1-CA 3.49Å; D100-G258 WeakPolarHBondContact OD1-CA 3.38Å; D100-G258 WeakPolarHBondContact OD2-CA 3.15Å; F255-G258 PolarHBondContact O-N 3.42Å; F255-G258 VanDerWaalsContact O-N 3.11Å; G258-Q261 WeakPolarHBondContact O-CB 3.2Å; G258-Q261 WeakPolarHBondContact O-CG 3.45Å; G258-Q261 PolarHBondContact O-NE2 3.06Å
259	S	98.7	Very high	98.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-29.2	-175.7	63.1	0	0	0	0	114.8	T90 D100 G103 Q261 I262	T90-S259 PolarHBondContact OG1-N 3.31Å; D100-S259 WeakPolarHBondContact OD1-CB 3.39Å; D100-S259 PolarHBondContact OD1-N 3.43Å; D100-S259 PolarHBondContact OD1-OG 2.96Å; D100-S259 PolarHBondContact OD2-N 2.9Å; G103-S259 VanDerWaalsContact O-CB 3.29Å; G103-S259 WeakPolarHBondContact O-CB 3.32Å; G103-S259 PolarHBondContact O-OG 3.35Å; S259-Q261 PolarHBondContact O-N 3.35Å; S259-Q261 VanDerWaalsContact O-N 3.08Å; S259-I262 PolarHBondContact O-N 2.89Å; S259-I262 VanDerWaalsContact O-N 3.11Å
260	S	98.6	Very high	98.6	Very high	4 Å²	4	26.7 Å²	26.7	3%	0.028	14%	0.137	C	C	.	.	H	α-helix	trans	-59.7	-24.2	179.1	-74.4	0	0	0	0	112.5	T88 F89 T90 I262 S263 E264	T88-S260 PolarHBondContact O-OG 3.37Å; F89-S260 VanDerWaalsContact CA-OG 3.27Å; F89-S260 WeakPolarHBondContact CA-OG 3.22Å; T90-S260 PolarHBondContact N-OG 2.83Å; T90-S260 WeakPolarHBondContact OG1-CB 3.5Å; T90-S260 PolarHBondContact OG1-N 2.89Å; T90-S260 PolarHBondContact OG1-OG 2.93Å; S260-I262 PolarHBondContact O-N 2.76Å; S260-S263 PolarHBondContact O-N 2.64Å; S260-E264 WeakPolarHBondContact CB-OE1 3.46Å; S260-E264 VanDerWaalsContact O-CG 3.26Å; S260-E264 WeakPolarHBondContact O-CG 3.49Å; S260-E264 PolarHBondContact O-N 3.36Å
261	Q	98.6	Very high	98.6	Very high	48 Å²	48	28.6 Å²	28.6	22%	0.224	16%	0.157	C	C	.	.	H	α-helix	trans	-54.8	-34.9	176.3	-66.3	179.4	109.1	0	0	112.8	R92 I122 A256 G257 G258 S259 S263 E264 C265	R92-Q261 VanDerWaalsContact NH2-CG 3.35Å; I122-Q261 HydrophobicContact CD1-CB 3.77Å; I122-Q261 HydrophobicContact CG1-CB 4.42Å; A256-Q261 PolarHBondContact O-NE2 3.09Å; G257-Q261 VanDerWaalsContact CA-NE2 3.3Å; G257-Q261 PolarHBondContact O-NE2 3.47Å; G258-Q261 WeakPolarHBondContact O-CB 3.2Å; G258-Q261 WeakPolarHBondContact O-CG 3.45Å; G258-Q261 PolarHBondContact O-NE2 3.06Å; S259-Q261 PolarHBondContact O-N 3.35Å; S259-Q261 VanDerWaalsContact O-N 3.08Å; Q261-S263 VanDerWaalsContact C-N 3.34Å; Q261-S263 PolarHBondContact O-N 2.8Å; Q261-E264 WeakPolarHBondContact CA-OE2 3.25Å; Q261-E264 PolarHBondContact O-N 2.85Å; Q261-C265 VanDerWaalsContact O-CB 3.23Å; Q261-C265 WeakPolarHBondContact O-CB 2.92Å; Q261-C265 PolarHBondContact O-N 2.88Å; Q261-C265 PolarHBondContact O-SG 2.94Å
262	I	98.8	Very high	98.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-47.3	178	-65.2	-73	0	0	0	110.4	I59 I113 L116 A117 I122 F255 S259 S260 M266	I59-I262 HydrophobicContact CD1-CG2 4.49Å; I59-I262 HydrophobicContact CG1-CG2 4.39Å; I113-I262 HydrophobicContact CD1-CD1 4.48Å; I113-I262 HydrophobicContact CD1-CG1 4.34Å; I113-I262 HydrophobicContact CD1-CG2 3.92Å; L116-I262 HydrophobicContact CB-CD1 4.39Å; L116-I262 HydrophobicContact CD1-CG2 4.32Å; A117-I262 HydrophobicContact CB-CD1 3.93Å; I122-I262 HydrophobicContact CD1-CD1 3.63Å; I122-I262 HydrophobicContact CD1-CG1 4.16Å; F255-I262 HydrophobicContact CE1-CD1 4.42Å; F255-I262 HydrophobicContact CE2-CG1 4.38Å; F255-I262 HydrophobicContact CZ-CD1 4.45Å; F255-I262 HydrophobicContact CZ-CG1 4.35Å; S259-I262 PolarHBondContact O-N 2.89Å; S259-I262 VanDerWaalsContact O-N 3.11Å; S260-I262 PolarHBondContact O-N 2.76Å; I262-M266 HydrophobicContact CG2-CE 3.73Å; I262-M266 WeakPolarHBondContact O-CE 3.43Å; I262-M266 PolarHBondContact O-N 3.46Å
263	S	98.9	Very high	98.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-72.5	-39.7	177.7	-62.1	0	0	0	0	112.6	I59 L62 G85 S260 Q261 C265 M266 A267	I59-S263 WeakPolarHBondContact CG1-OG 3.48Å; L62-S263 VanDerWaalsContact CD1-CB 3.44Å; L62-S263 WeakPolarHBondContact CD1-O 3.44Å; G85-S263 WeakPolarHBondContact CA-OG 3.49Å; S260-S263 PolarHBondContact O-N 2.64Å; Q261-S263 VanDerWaalsContact C-N 3.34Å; Q261-S263 PolarHBondContact O-N 2.8Å; S263-C265 VanDerWaalsContact C-N 3.34Å; S263-C265 PolarHBondContact O-N 2.79Å; S263-M266 PolarHBondContact O-N 2.91Å; S263-A267 VanDerWaalsContact O-CB 3.24Å; S263-A267 WeakPolarHBondContact O-CB 3.31Å; S263-A267 PolarHBondContact O-N 2.68Å
264	E	98.9	Very high	98.5	Very high	72 Å²	72	34.7 Å²	34.7	34%	0.336	19%	0.188	S	C	.	.	H	α-helix	trans	-60.4	-42.5	176.4	-68.7	162.6	179.8	0	0	111.3	V84 R92 S260 Q261 A267 K268	V84-E264 HydrophobicContact CG2-CG 4.34Å; R92-E264 IonicContact CZ-OE1 2.57Å; R92-E264 IonicContact CZ-OE2 2.7Å; R92-E264 IonicContact NH1-OE1 3.87Å; R92-E264 PolarHBondContact NH1-OE1 3.35Å; R92-E264 IonicContact NH1-OE2 2.69Å; R92-E264 IonicContact NH2-OE1 3.73Å; R92-E264 PolarHBondContact NH2-OE1 2.96Å; R92-E264 IonicContact NH2-OE2 3.63Å; R92-E264 PolarHBondContact NH2-OE2 2.89Å; S260-E264 WeakPolarHBondContact CB-OE1 3.46Å; S260-E264 VanDerWaalsContact O-CG 3.26Å; S260-E264 WeakPolarHBondContact O-CG 3.49Å; S260-E264 PolarHBondContact O-N 3.36Å; Q261-E264 WeakPolarHBondContact CA-OE2 3.25Å; Q261-E264 PolarHBondContact O-N 2.85Å; E264-A267 PolarHBondContact O-N 2.67Å; E264-K268 WeakPolarHBondContact O-CB 3.14Å; E264-K268 PolarHBondContact O-N 3.29Å
265	C	98.8	Very high	98.5	Very high	38 Å²	38	37.7 Å²	37.7	26%	0.257	20%	0.202	S	C	.	.	H	α-helix	trans	-65.1	-48	176.7	-74.6	0	0	0	0	112.4	Y120 Q261 S263 A267 K268 E269	Y120-C265 HydrophobicContact CD1-CB 3.66Å; Y120-C265 HydrophobicContact CD2-CB 3.69Å; Y120-C265 HydrophobicContact CE1-CB 3.91Å; Y120-C265 HydrophobicContact CE2-CB 3.93Å; Y120-C265 HydrophobicContact CG-CB 3.55Å; Q261-C265 VanDerWaalsContact O-CB 3.23Å; Q261-C265 WeakPolarHBondContact O-CB 2.92Å; Q261-C265 PolarHBondContact O-N 2.88Å; Q261-C265 PolarHBondContact O-SG 2.94Å; S263-C265 VanDerWaalsContact C-N 3.34Å; S263-C265 PolarHBondContact O-N 2.79Å; C265-A267 VanDerWaalsContact C-N 3.33Å; C265-A267 PolarHBondContact O-N 3.41Å; C265-K268 PolarHBondContact O-N 3.36Å; C265-E269 PolarHBondContact O-N 2.99Å
266	M	98.8	Very high	98.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.7	-42.2	174.5	-77.8	-174.8	-72	0	0	111.9	I59 L62 K66 L116 Y120 I262 S263 K268 E269 L270	I59-M266 HydrophobicContact CG2-CE 4.46Å; L62-M266 HydrophobicContact CB-CB 3.92Å; L62-M266 HydrophobicContact CB-CE 3.67Å; L62-M266 HydrophobicContact CB-CG 4.47Å; L62-M266 HydrophobicContact CB-SD 3.77Å; L62-M266 HydrophobicContact CD1-CB 4.33Å; L62-M266 HydrophobicContact CD1-CE 4.3Å; K66-M266 HydrophobicContact CD-CG 4.37Å; L116-M266 HydrophobicContact CD1-CE 4.43Å; L116-M266 HydrophobicContact CD1-SD 4.35Å; L116-M266 HydrophobicContact CD2-SD 4.45Å; Y120-M266 HydrophobicContact CE2-CG 3.71Å; Y120-M266 WeakPolarHBondContact OH-CA 3.41Å; Y120-M266 WeakPolarHBondContact OH-CG 3.46Å; I262-M266 HydrophobicContact CG2-CE 3.73Å; I262-M266 WeakPolarHBondContact O-CE 3.43Å; I262-M266 PolarHBondContact O-N 3.46Å; S263-M266 PolarHBondContact O-N 2.91Å; M266-K268 VanDerWaalsContact C-N 3.35Å; M266-K268 PolarHBondContact O-N 2.98Å; M266-E269 WeakPolarHBondContact O-CB 3.49Å; M266-E269 PolarHBondContact O-N 2.88Å; M266-L270 WeakPolarHBondContact O-CB 3.48Å; M266-L270 VanDerWaalsContact O-CG 3.31Å; M266-L270 WeakPolarHBondContact O-CG 3.18Å; M266-L270 PolarHBondContact O-N 2.66Å
267	A	98.8	Very high	98.5	Very high	16 Å²	16	46 Å²	46	13%	0.132	24%	0.237	C	C	.	.	H	α-helix	trans	-63.4	-41.7	178	0	0	0	0	0	111.5	L62 V84 S263 E264 C265 E269 L270 G271 V274	L62-A267 HydrophobicContact CD2-CB 4.32Å; V84-A267 HydrophobicContact CG1-CB 3.89Å; V84-A267 HydrophobicContact CG2-CB 4.15Å; S263-A267 VanDerWaalsContact O-CB 3.24Å; S263-A267 WeakPolarHBondContact O-CB 3.31Å; S263-A267 PolarHBondContact O-N 2.68Å; E264-A267 PolarHBondContact O-N 2.67Å; C265-A267 VanDerWaalsContact C-N 3.33Å; C265-A267 PolarHBondContact O-N 3.41Å; A267-E269 VanDerWaalsContact C-N 3.34Å; A267-E269 PolarHBondContact O-N 3.39Å; A267-L270 PolarHBondContact O-N 2.61Å; A267-G271 PolarHBondContact O-N 3.47Å; A267-V274 HydrophobicContact CB-CG2 4.2Å
268	K	98.6	Very high	98.6	Very high	183 Å²	183	45.4 Å²	45.4	80%	0.796	23%	0.23	S	C	*	.	H	α-helix	trans	-61.4	-41.1	174.1	-175.1	179.7	178.6	-178.3	0	112.2	E264 C265 M266 L270 G271	E264-K268 WeakPolarHBondContact O-CB 3.14Å; E264-K268 PolarHBondContact O-N 3.29Å; C265-K268 PolarHBondContact O-N 3.36Å; M266-K268 VanDerWaalsContact C-N 3.35Å; M266-K268 PolarHBondContact O-N 2.98Å; K268-L270 VanDerWaalsContact C-N 3.33Å; K268-G271 PolarHBondContact O-N 3.45Å
269	E	98.2	Very high	98.6	Very high	71 Å²	71	46.2 Å²	46.2	33%	0.332	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-37.7	175.4	-176.2	-176.4	155.5	0	0	112	K66 K69 Y120 C265 M266 A267	K66-E269 WeakPolarHBondContact CE-OE2 3.41Å; K66-E269 WeakPolarHBondContact CG-OE1 3.48Å; K66-E269 IonicContact NZ-OE1 3.75Å; K66-E269 PolarHBondContact NZ-OE1 2.9Å; K66-E269 IonicContact NZ-OE2 2.64Å; K66-E269 PolarHBondContact NZ-OE2 3.33Å; K66-E269 VanDerWaalsContact NZ-OE2 3.15Å; K69-E269 PolarHBondContact NZ-O 3.37Å; Y120-E269 PolarHBondContact OH-OE2 3.12Å; C265-E269 PolarHBondContact O-N 2.99Å; M266-E269 WeakPolarHBondContact O-CB 3.49Å; M266-E269 PolarHBondContact O-N 2.88Å; A267-E269 VanDerWaalsContact C-N 3.34Å; A267-E269 PolarHBondContact O-N 3.39Å
270	L	98.6	Very high	98.6	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-74.2	-30.9	177.7	-71.1	166.5	0	0	0	112.6	L62 A65 K69 V77 M266 A267 K268 R273 V274	L62-L270 HydrophobicContact CD2-CD1 3.72Å; A65-L270 HydrophobicContact CB-CD1 3.75Å; A65-L270 HydrophobicContact CB-CD2 4.02Å; K69-L270 HydrophobicContact CB-CD2 4.21Å; K69-L270 HydrophobicContact CD-CD2 3.86Å; V77-L270 HydrophobicContact CG2-CD1 4.19Å; M266-L270 WeakPolarHBondContact O-CB 3.48Å; M266-L270 VanDerWaalsContact O-CG 3.31Å; M266-L270 WeakPolarHBondContact O-CG 3.18Å; M266-L270 PolarHBondContact O-N 2.66Å; A267-L270 PolarHBondContact O-N 2.61Å; K268-L270 VanDerWaalsContact C-N 3.33Å; L270-R273 HydrophobicContact CB-CB 4.44Å; L270-V274 HydrophobicContact CB-CG2 3.81Å; L270-V274 HydrophobicContact CD1-CG2 4.06Å
271	G	98.3	Very high	98.6	Very high	40 Å²	40	50.8 Å²	50.8	41%	0.412	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	69.7	-132.5	176.5	0	0	0	0	0	112.6	A267 K268 R273 V274	A267-G271 PolarHBondContact O-N 3.47Å; K268-G271 PolarHBondContact O-N 3.45Å; G271-R273 PolarHBondContact O-N 2.92Å; G271-V274 PolarHBondContact O-N 3.21Å
272	D	97.1	Very high	98.6	Very high	113 Å²	113	51.7 Å²	51.7	60%	0.604	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-62.8	-9.8	-179.4	66.5	-24.6	0	0	0	115.1	V274 K275	D272-V274 PolarHBondContact O-N 3.5Å; D272-K275 VanDerWaalsContact O-CE 3.26Å; D272-K275 WeakPolarHBondContact O-CE 3.23Å; D272-K275 PolarHBondContact O-NZ 3.07Å
273	R	98.3	Very high	98.6	Very high	71 Å²	71	51.7 Å²	51.7	27%	0.268	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-71.2	-16.2	174.7	-70.5	168.6	179.7	69.2	3.5	113.3	P75 V76 V77 L270 G271	P75-R273 WeakPolarHBondContact O-CB 3.28Å; P75-R273 VanDerWaalsContact O-CD 3.31Å; P75-R273 WeakPolarHBondContact O-CD 3.42Å; P75-R273 VanDerWaalsContact O-CG 3.31Å; P75-R273 WeakPolarHBondContact O-CG 3.34Å; V76-R273 CarbonylContact C-O 3.59Å; V76-R273 WeakPolarHBondContact CA-O 3.12Å; V76-R273 VanDerWaalsContact CG2-O 3.3Å; V76-R273 WeakPolarHBondContact CG2-O 3.46Å; V77-R273 PolarHBondContact N-O 3.15Å; L270-R273 HydrophobicContact CB-CB 4.44Å; G271-R273 PolarHBondContact O-N 2.92Å
274	V	98.8	Very high	98.5	Very high	21 Å²	21	52.6 Å²	52.6	13%	0.127	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	113.4	174.2	-175.1	0	0	0	0	109	A57 L62 V77 V84 A267 L270 G271 D272 L276	A57-V274 HydrophobicContact CB-CG1 4.28Å; L62-V274 HydrophobicContact CD2-CG2 4.21Å; V77-V274 HydrophobicContact CB-CG2 4.29Å; V77-V274 HydrophobicContact CG2-CG2 4.37Å; V84-V274 HydrophobicContact CG1-CG1 3.88Å; A267-V274 HydrophobicContact CB-CG2 4.2Å; L270-V274 HydrophobicContact CB-CG2 3.81Å; L270-V274 HydrophobicContact CD1-CG2 4.06Å; G271-V274 PolarHBondContact O-N 3.21Å; D272-V274 PolarHBondContact O-N 3.5Å; V274-L276 HydrophobicContact CG1-CD2 4.15Å
275	K	98.6	Very high	98.5	Very high	66 Å²	66	50.6 Å²	50.6	29%	0.287	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	108.8	176.7	-53.4	-56.1	-170.1	-167.7	0	109	V76 V77 L78 E79 D272 S278 Y300	V76-K275 HydrophobicContact CG2-CG 3.92Å; V77-K275 PolarHBondContact O-N 3.14Å; L78-K275 HydrophobicContact CD2-CB 3.93Å; L78-K275 HydrophobicContact CD2-CG 4.05Å; E79-K275 PolarHBondContact N-O 3.43Å; D272-K275 VanDerWaalsContact O-CE 3.26Å; D272-K275 WeakPolarHBondContact O-CE 3.23Å; D272-K275 PolarHBondContact O-NZ 3.07Å; K275-S278 WeakPolarHBondContact CB-OG 3.27Å; K275-Y300 HydrophobicContact CG-CE1 4.32Å
276	L	98.8	Very high	98.5	Very high	72 Å²	72	53.2 Å²	53.2	38%	0.377	27%	0.267	S	S	.	.	S	Bend	trans	-82.1	160.3	174.6	-58.9	177.2	0	0	0	109.7	E79 R81 V84 V274 S278	E79-L276 HydrophobicContact CB-CD2 3.93Å; E79-L276 HydrophobicContact CG-CD2 3.8Å; E79-L276 CarbonylContact O-C 3.43Å; R81-L276 WeakPolarHBondContact O-CB 3.11Å; V84-L276 HydrophobicContact CG1-CD2 3.9Å; V274-L276 HydrophobicContact CG1-CD2 4.15Å; L276-S278 PolarHBondContact O-N 3.46Å; L276-S278 PolarHBondContact O-OG 2.97Å
277	Q	98.4	Very high	98.3	Very high	134 Å²	134	55.1 Å²	55.1	63%	0.626	29%	0.286	S	S	*	.	S	Bend	trans	55.7	33.5	-178.4	-52.1	-179.1	-78.6	0	0	113	E79 R81 D82 P279	E79-Q277 PolarHBondContact O-N 3.5Å; R81-Q277 PolarHBondContact O-N 3.2Å; D82-Q277 HydrophobicContact CB-CG 4.14Å; Q277-P279 WeakPolarHBondContact O-CD 3.23Å
278	S	98.6	Very high	98	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.021	32%	0.318	C	S	.	.			trans	-116.3	60.1	179.9	-60	0	0	0	0	110.8	E79 K275 L276 V280	E79-S278 PolarHBondContact O-N 3.27Å; K275-S278 WeakPolarHBondContact CB-OG 3.27Å; L276-S278 PolarHBondContact O-N 3.46Å; L276-S278 PolarHBondContact O-OG 2.97Å; S278-V280 PolarHBondContact O-N 3.05Å
279	P	98.6	Very high	97.9	Very high	18 Å²	18	55.5 Å²	55.5	12%	0.117	30%	0.296	C	S	.	.			trans	-65.4	121.1	178.5	27.6	-34	0	0	0	109.8	A80 Q277 T294 V295 Y438	A80-P279 HydrophobicContact CB-CB 3.78Å; Q277-P279 WeakPolarHBondContact O-CD 3.23Å; P279-T294 CarbonylContact O-C 3.56Å; P279-T294 WeakPolarHBondContact O-CA 3.26Å; P279-T294 WeakPolarHBondContact O-CB 3.46Å; P279-V295 HydrophobicContact CB-CG2 4.16Å; P279-V295 HydrophobicContact CG-CB 3.85Å; P279-V295 HydrophobicContact CG-CG2 3.8Å; P279-V295 PolarHBondContact O-N 3.12Å; P279-Y438 HydrophobicContact CB-CE1 4Å
280	V	98.8	Very high	97.9	Very high	17 Å²	17	52.1 Å²	52.1	10%	0.103	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.9	177.9	176.9	0	0	0	0	109.8	I55 L78 S278 I283 V292 E293 T294 M317	I55-V280 HydrophobicContact CD1-CB 4.33Å; I55-V280 HydrophobicContact CD1-CG1 3.97Å; I55-V280 HydrophobicContact CD1-CG2 4.22Å; I55-V280 HydrophobicContact CG1-CG2 4.15Å; I55-V280 HydrophobicContact CG2-CB 4.14Å; I55-V280 HydrophobicContact CG2-CG2 4.01Å; L78-V280 HydrophobicContact CB-CG2 3.99Å; L78-V280 HydrophobicContact CD1-CG2 3.71Å; S278-V280 PolarHBondContact O-N 3.05Å; V280-I283 HydrophobicContact CG1-CD1 4.41Å; V280-I283 HydrophobicContact CG1-CG1 3.98Å; V280-V292 HydrophobicContact CB-CG1 4.3Å; V280-V292 HydrophobicContact CG1-CG1 3.53Å; V280-V292 HydrophobicContact CG2-CG1 3.73Å; V280-E293 WeakPolarHBondContact CA-O 3.22Å; V280-T294 HydrophobicContact CG2-CG2 4.03Å; V280-M317 HydrophobicContact CB-SD 4.27Å; V280-M317 HydrophobicContact CG1-CG 4.26Å; V280-M317 HydrophobicContact CG1-SD 3.95Å
281	Y	98.4	Very high	97.9	Very high	82 Å²	82	53.8 Å²	53.8	32%	0.322	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	-17.8	176.3	85.1	-77.5	0	0	0	113.6	E293 T294 V295 M317 H318	Y281-E293 HydrophobicContact CD1-CB 4.26Å; Y281-E293 VanDerWaalsContact CD1-O 3.31Å; Y281-E293 WeakPolarHBondContact CD1-O 3.24Å; Y281-E293 HydrophobicContact CE1-CB 3.53Å; Y281-E293 PolarHBondContact N-O 3.4Å; Y281-E293 PolarHBondContact OH-OE2 3.13Å; Y281-T294 VanDerWaalsContact CD1-C 3.45Å; Y281-T294 WeakPolarHBondContact CE1-O 3.45Å; Y281-V295 HydrophobicContact CD1-CG2 4.45Å; Y281-V295 HydrophobicContact CG-CG2 4.49Å; Y281-M317 CarbonylContact O-C 3.52Å; Y281-M317 WeakPolarHBondContact O-CA 3.22Å; Y281-H318 PolarHBondContact O-CD2 3.26Å; Y281-H318 PolarHBondContact O-N 2.72Å
282	R	98.6	Very high	98	Very high	67 Å²	67	51.9 Å²	51.9	25%	0.253	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	138.5	176.9	-166.5	175.3	79.8	93.7	0.8	112	D284 E293 H318	R282-D284 IonicContact NH1-OD2 3.03Å; R282-D284 PolarHBondContact NH1-OD2 2.96Å; R282-E293 HydrophobicContact CB-CB 4.24Å; R282-E293 IonicContact CZ-OE1 3.52Å; R282-E293 IonicContact CZ-OE2 3.16Å; R282-E293 PolarHBondContact N-O 2.76Å; R282-E293 VanDerWaalsContact NE-CD 3.33Å; R282-E293 IonicContact NE-OE1 3.56Å; R282-E293 IonicContact NE-OE2 3.38Å; R282-E293 PolarHBondContact NE-OE2 3.09Å; R282-E293 IonicContact NH2-OE1 2.81Å; R282-E293 PolarHBondContact NH2-OE1 2.88Å; R282-E293 IonicContact NH2-OE2 3.99Å; R282-E293 PolarHBondContact NH2-OE2 2.91Å; R282-E293 PolarHBondContact O-N 2.69Å; R282-H318 CarbonylContact C-O 3.53Å; R282-H318 WeakPolarHBondContact CA-O 3.34Å; R282-H318 HydrophobicContact CG-CB 4.32Å
283	I	98.8	Very high	98	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	121.3	174.6	-57.4	172.9	0	0	0	108.1	I55 V280 V290 V291 M317 H318 F319 N320 L466	I55-I283 HydrophobicContact CD1-CD1 3.39Å; I55-I283 HydrophobicContact CD1-CG1 4.13Å; V280-I283 HydrophobicContact CG1-CD1 4.41Å; V280-I283 HydrophobicContact CG1-CG1 3.98Å; I283-V290 HydrophobicContact CG2-CG1 3.71Å; I283-V291 WeakPolarHBondContact CA-O 3.5Å; I283-M317 HydrophobicContact CD1-SD 3.73Å; I283-H318 PolarHBondContact N-O 3.2Å; I283-F319 HydrophobicContact CB-CD1 4.21Å; I283-F319 HydrophobicContact CD1-CD1 4.23Å; I283-F319 HydrophobicContact CD1-CE1 3.68Å; I283-F319 HydrophobicContact CD1-CZ 4.32Å; I283-F319 CarbonylContact O-C 3.58Å; I283-F319 WeakPolarHBondContact O-CA 3.45Å; I283-N320 PolarHBondContact O-N 3.03Å; I283-L466 HydrophobicContact CG2-CD1 4.42Å; I283-L466 HydrophobicContact CG2-CD2 3.75Å
284	D	98.7	Very high	98.1	Very high	19 Å²	19	44.8 Å²	44.8	10%	0.102	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118	-178.7	-167.3	-30.5	0	0	0	110.6	R282 T286 V290 V291 N320	R282-D284 IonicContact NH1-OD2 3.03Å; R282-D284 PolarHBondContact NH1-OD2 2.96Å; D284-T286 WeakPolarHBondContact OD1-CB 3.08Å; D284-T286 WeakPolarHBondContact OD1-CG2 3.5Å; D284-T286 PolarHBondContact OD1-N 3.24Å; D284-T286 PolarHBondContact OD1-OG1 3.36Å; D284-V290 CarbonylContact O-C 3.52Å; D284-V290 VanDerWaalsContact O-CA 3.3Å; D284-V290 WeakPolarHBondContact O-CA 3.39Å; D284-V290 WeakPolarHBondContact O-CG1 3.45Å; D284-V291 HydrophobicContact CB-CB 4.3Å; D284-V291 PolarHBondContact N-O 3.13Å; D284-V291 PolarHBondContact O-N 3.28Å; D284-N320 CarbonylContact C-O 3.54Å; D284-N320 WeakPolarHBondContact CA-O 3.37Å; D284-N320 HydrophobicContact CB-CB 4.2Å; D284-N320 VanDerWaalsContact CG-ND2 3.3Å; D284-N320 PolarHBondContact OD1-ND2 2.57Å; D284-N320 PolarHBondContact OD2-ND2 2.9Å
285	Q	98.4	Very high	98	Very high	30 Å²	30	48 Å²	48	14%	0.14	26%	0.257	C	S	.	.			trans	-117.5	23.6	178.7	64.7	176.5	-33.2	0	0	112.6	V290 N320 V463	Q285-V290 HydrophobicContact CB-CB 4.5Å; Q285-V290 HydrophobicContact CB-CG1 4.18Å; Q285-V290 HydrophobicContact CB-CG2 3.94Å; Q285-N320 PolarHBondContact N-O 2.7Å; Q285-V463 PolarHBondContact NE2-O 2.8Å; Q285-V463 PolarHBondContact OE1-O 2.85Å
286	T	97.8	Very high	97.8	Very high	93 Å²	93	48.4 Å²	48.4	57%	0.571	26%	0.262	S	S	*	.	S	Bend	trans	-73.6	-25.2	178.1	57.1	0	0	0	0	113.5	D284 N320	D284-T286 WeakPolarHBondContact OD1-CB 3.08Å; D284-T286 WeakPolarHBondContact OD1-CG2 3.5Å; D284-T286 PolarHBondContact OD1-N 3.24Å; D284-T286 PolarHBondContact OD1-OG1 3.36Å; T286-N320 WeakPolarHBondContact CG2-ND2 3.49Å
287	G	94.8	Very high	97.6	Very high	40 Å²	40	53.9 Å²	53.9	41%	0.412	28%	0.283	S	S	.	.	S	Bend	trans	-92.6	-170.3	179	0	0	0	0	0	114.6	V289	G287-V289 PolarHBondContact O-N 2.91Å
288	D	93.1	Very high	97.6	Very high	149 Å²	149	51.2 Å²	51.2	80%	0.797	27%	0.271	S	S	*	.	S	Bend	trans	-67.5	-20.6	179.9	-68.8	-29.4	0	0	0	113.8	R465	D288-R465 PolarHBondContact O-NH1 3.05Å; D288-R465 PolarHBondContact O-NH2 3.44Å
289	V	96.6	Very high	97.5	Very high	57 Å²	57	54 Å²	54	35%	0.345	29%	0.288	S	S	.	.	S	Bend	trans	-131.3	157.7	174.9	-65.1	0	0	0	0	109.4	G287 T301	G287-V289 PolarHBondContact O-N 2.91Å; V289-T301 HydrophobicContact CG2-CG2 4.48Å
290	V	98.6	Very high	97.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	128.4	172.5	-169.1	0	0	0	0	108.9	I283 D284 Q285 V292 T301 A302 V305 R465 L466	I283-V290 HydrophobicContact CG2-CG1 3.71Å; D284-V290 CarbonylContact O-C 3.52Å; D284-V290 VanDerWaalsContact O-CA 3.3Å; D284-V290 WeakPolarHBondContact O-CA 3.39Å; D284-V290 WeakPolarHBondContact O-CG1 3.45Å; Q285-V290 HydrophobicContact CB-CB 4.5Å; Q285-V290 HydrophobicContact CB-CG1 4.18Å; Q285-V290 HydrophobicContact CB-CG2 3.94Å; V290-V292 HydrophobicContact CG1-CG2 4.24Å; V290-T301 CarbonylContact O-C 3.55Å; V290-T301 VanDerWaalsContact O-CA 3.27Å; V290-T301 WeakPolarHBondContact O-CA 3.48Å; V290-A302 PolarHBondContact N-O 3.5Å; V290-A302 PolarHBondContact O-N 3.22Å; V290-V305 HydrophobicContact CB-CG2 3.91Å; V290-V305 HydrophobicContact CG1-CG2 3.53Å; V290-V305 HydrophobicContact CG2-CG2 4.31Å; V290-R465 HydrophobicContact CG2-CB 3.71Å; V290-R465 HydrophobicContact CG2-CG 4.43Å; V290-L466 HydrophobicContact CG1-CD2 4.38Å
291	V	98.7	Very high	97.5	Very high	37 Å²	37	54.1 Å²	54.1	22%	0.224	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.5	173.2	-177.3	0	0	0	0	108.5	I283 D284 E293 T299 T301	I283-V291 WeakPolarHBondContact CA-O 3.5Å; D284-V291 HydrophobicContact CB-CB 4.3Å; D284-V291 PolarHBondContact N-O 3.13Å; D284-V291 PolarHBondContact O-N 3.28Å; V291-E293 HydrophobicContact CG1-CG 4.36Å; V291-T299 HydrophobicContact CG1-CG2 3.53Å; V291-T301 HydrophobicContact CG2-CG2 4.39Å
292	V	98.8	Very high	97.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.8	179.2	-176.7	0	0	0	0	108.5	V53 I55 L78 V280 V290 Y300 V305	V53-V292 HydrophobicContact CB-CG2 4.29Å; V53-V292 HydrophobicContact CG1-CB 4.38Å; V53-V292 HydrophobicContact CG1-CG1 4.25Å; V53-V292 HydrophobicContact CG1-CG2 4.09Å; V53-V292 HydrophobicContact CG2-CG2 4.41Å; I55-V292 HydrophobicContact CD1-CG1 4.46Å; L78-V292 HydrophobicContact CD1-CG1 3.9Å; V280-V292 HydrophobicContact CB-CG1 4.3Å; V280-V292 HydrophobicContact CG1-CG1 3.53Å; V280-V292 HydrophobicContact CG2-CG1 3.73Å; V290-V292 HydrophobicContact CG1-CG2 4.24Å; V292-Y300 PolarHBondContact N-O 3.37Å; V292-Y300 PolarHBondContact O-N 2.84Å; V292-V305 HydrophobicContact CG2-CG2 3.83Å
293	E	98.7	Very high	97.5	Very high	34 Å²	34	52.5 Å²	52.5	16%	0.159	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.5	-179.6	-61.7	176.7	163.4	0	0	111.6	V280 Y281 R282 V291 E298 T299	V280-E293 WeakPolarHBondContact CA-O 3.22Å; Y281-E293 HydrophobicContact CD1-CB 4.26Å; Y281-E293 VanDerWaalsContact CD1-O 3.31Å; Y281-E293 WeakPolarHBondContact CD1-O 3.24Å; Y281-E293 HydrophobicContact CE1-CB 3.53Å; Y281-E293 PolarHBondContact N-O 3.4Å; Y281-E293 PolarHBondContact OH-OE2 3.13Å; R282-E293 HydrophobicContact CB-CB 4.24Å; R282-E293 IonicContact CZ-OE1 3.52Å; R282-E293 IonicContact CZ-OE2 3.16Å; R282-E293 PolarHBondContact N-O 2.76Å; R282-E293 VanDerWaalsContact NE-CD 3.33Å; R282-E293 IonicContact NE-OE1 3.56Å; R282-E293 IonicContact NE-OE2 3.38Å; R282-E293 PolarHBondContact NE-OE2 3.09Å; R282-E293 IonicContact NH2-OE1 2.81Å; R282-E293 PolarHBondContact NH2-OE1 2.88Å; R282-E293 IonicContact NH2-OE2 3.99Å; R282-E293 PolarHBondContact NH2-OE2 2.91Å; R282-E293 PolarHBondContact O-N 2.69Å; V291-E293 HydrophobicContact CG1-CG 4.36Å; E293-E298 WeakPolarHBondContact CA-O 3.36Å; E293-T299 HydrophobicContact CG-CG2 4.35Å
294	T	98.6	Very high	97.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	157.6	-178.8	49.4	0	0	0	0	110.9	L78 P279 V280 Y281 N296 K297 E298 Y300	L78-T294 HydrophobicContact CD1-CG2 4.05Å; P279-T294 CarbonylContact O-C 3.56Å; P279-T294 WeakPolarHBondContact O-CA 3.26Å; P279-T294 WeakPolarHBondContact O-CB 3.46Å; V280-T294 HydrophobicContact CG2-CG2 4.03Å; Y281-T294 VanDerWaalsContact CD1-C 3.45Å; Y281-T294 WeakPolarHBondContact CE1-O 3.45Å; T294-N296 WeakPolarHBondContact CB-OD1 3.47Å; T294-N296 PolarHBondContact O-N 2.9Å; T294-N296 PolarHBondContact OG1-OD1 3.33Å; T294-K297 WeakPolarHBondContact O-CA 3.37Å; T294-K297 PolarHBondContact O-N 2.91Å; T294-E298 PolarHBondContact N-O 2.96Å; T294-E298 VanDerWaalsContact N-O 3.11Å; T294-E298 WeakPolarHBondContact OG1-CB 3.33Å; T294-E298 PolarHBondContact OG1-N 3.06Å; T294-E298 PolarHBondContact OG1-O 2.89Å; T294-Y300 HydrophobicContact CG2-CD2 4.35Å; T294-Y300 HydrophobicContact CG2-CE2 4.02Å
295	V	97.8	Very high	97.5	Very high	90 Å²	90	53.3 Å²	53.3	55%	0.545	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-29.5	-176.1	178.7	0	0	0	0	111.9	P279 Y281 K297	P279-V295 HydrophobicContact CB-CG2 4.16Å; P279-V295 HydrophobicContact CG-CB 3.85Å; P279-V295 HydrophobicContact CG-CG2 3.8Å; P279-V295 PolarHBondContact O-N 3.12Å; Y281-V295 HydrophobicContact CD1-CG2 4.45Å; Y281-V295 HydrophobicContact CG-CG2 4.49Å; V295-K297 PolarHBondContact O-N 3.2Å; V295-K297 VanDerWaalsContact O-N 3.16Å
296	N	94.7	Very high	97.5	Very high	73 Å²	73	51.9 Å²	51.9	39%	0.39	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	8.8	173.3	69.6	-11.3	0	0	0	113.7	T294 E298	T294-N296 WeakPolarHBondContact CB-OD1 3.47Å; T294-N296 PolarHBondContact O-N 2.9Å; T294-N296 PolarHBondContact OG1-OD1 3.33Å; N296-E298 VanDerWaalsContact C-N 3.3Å; N296-E298 PolarHBondContact ND2-OE2 3.25Å; N296-E298 VanDerWaalsContact ND2-OE2 3.09Å; N296-E298 PolarHBondContact O-N 3.4Å; N296-E298 PolarHBondContact OD1-N 2.8Å
297	K	94.2	Very high	97.6	Very high	188 Å²	188	47.5 Å²	47.5	82%	0.817	25%	0.25	S	C	*	.	S	Bend	trans	65.1	25.6	178.3	-51.7	-179.6	179.5	179.9	0	114.7	T294 V295	T294-K297 WeakPolarHBondContact O-CA 3.37Å; T294-K297 PolarHBondContact O-N 2.91Å; V295-K297 PolarHBondContact O-N 3.2Å; V295-K297 VanDerWaalsContact O-N 3.16Å
298	E	97.5	Very high	97.8	Very high	77 Å²	77	46 Å²	46	36%	0.36	23%	0.234	S	C	.	.			trans	-84	146.9	166.5	-61	176.6	151.4	0	0	110.2	E293 T294 N296 Y300	E293-E298 WeakPolarHBondContact CA-O 3.36Å; T294-E298 PolarHBondContact N-O 2.96Å; T294-E298 VanDerWaalsContact N-O 3.11Å; T294-E298 WeakPolarHBondContact OG1-CB 3.33Å; T294-E298 PolarHBondContact OG1-N 3.06Å; T294-E298 PolarHBondContact OG1-O 2.89Å; N296-E298 VanDerWaalsContact C-N 3.3Å; N296-E298 PolarHBondContact ND2-OE2 3.25Å; N296-E298 VanDerWaalsContact ND2-OE2 3.09Å; N296-E298 PolarHBondContact O-N 3.4Å; N296-E298 PolarHBondContact OD1-N 2.8Å; E298-Y300 HydrophobicContact CB-CD2 4.47Å; E298-Y300 HydrophobicContact CB-CE2 3.64Å; E298-Y300 PolarHBondContact OE2-OH 3.2Å
299	T	98	Very high	98	Very high	63 Å²	63	40 Å²	40	39%	0.387	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.8	178.7	-53.7	0	0	0	0	109.7	N48 V291 E293	N48-T299 VanDerWaalsContact CB-O 3.26Å; N48-T299 WeakPolarHBondContact CB-O 3.19Å; N48-T299 PolarHBondContact ND2-O 3.34Å; V291-T299 HydrophobicContact CG1-CG2 3.53Å; E293-T299 HydrophobicContact CG-CG2 4.35Å
300	Y	98.5	Very high	98.1	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.8	177.1	-60.5	-98.2	0	0	0	108.4	N48 Y50 V76 L78 K275 V292 T294 E298	N48-Y300 HydrophobicContact CB-CD1 4.39Å; Y50-Y300 HydrophobicContact CD2-CD1 4.37Å; Y50-Y300 AromaticContact CE2-CD1 3.68Å; Y50-Y300 HydrophobicContact CE2-CD1 3.68Å; Y50-Y300 HydrophobicContact CE2-CE1 4.38Å; V76-Y300 HydrophobicContact CG1-CD1 4.3Å; V76-Y300 HydrophobicContact CG2-CD1 4.46Å; V76-Y300 HydrophobicContact CG2-CE1 4.34Å; L78-Y300 HydrophobicContact CD1-CD2 3.78Å; L78-Y300 HydrophobicContact CD1-CE2 4.15Å; L78-Y300 HydrophobicContact CD1-CG 4.03Å; L78-Y300 HydrophobicContact CD2-CD1 3.96Å; L78-Y300 HydrophobicContact CD2-CD2 4.12Å; L78-Y300 HydrophobicContact CD2-CE1 3.66Å; L78-Y300 HydrophobicContact CD2-CE2 3.83Å; L78-Y300 HydrophobicContact CD2-CG 4.2Å; K275-Y300 HydrophobicContact CG-CE1 4.32Å; V292-Y300 PolarHBondContact N-O 3.37Å; V292-Y300 PolarHBondContact O-N 2.84Å; T294-Y300 HydrophobicContact CG2-CD2 4.35Å; T294-Y300 HydrophobicContact CG2-CE2 4.02Å; E298-Y300 HydrophobicContact CB-CD2 4.47Å; E298-Y300 HydrophobicContact CB-CE2 3.64Å; E298-Y300 PolarHBondContact OE2-OH 3.2Å
301	T	98.4	Very high	98.1	Very high	32 Å²	32	38 Å²	38	20%	0.196	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.8	172.9	75.5	0	0	0	0	110.7	N48 N49 Y50 V289 V290 V291	N48-T301 PolarHBondContact O-N 3.04Å; N48-T301 PolarHBondContact O-OG1 3.11Å; N49-T301 PolarHBondContact OD1-OG1 3.36Å; Y50-T301 PolarHBondContact N-O 2.9Å; V289-T301 HydrophobicContact CG2-CG2 4.48Å; V290-T301 CarbonylContact O-C 3.55Å; V290-T301 VanDerWaalsContact O-CA 3.27Å; V290-T301 WeakPolarHBondContact O-CA 3.48Å; V291-T301 HydrophobicContact CG2-CG2 4.39Å
302	A	98.4	Very high	98	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.017	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	162.3	176.8	0	0	0	0	0	113.8	Y50 V53 V290 Y304	Y50-A302 WeakPolarHBondContact O-CA 3.45Å; V53-A302 HydrophobicContact CB-CB 4.23Å; V53-A302 HydrophobicContact CG2-CB 3.7Å; V290-A302 PolarHBondContact N-O 3.5Å; V290-A302 PolarHBondContact O-N 3.22Å; A302-Y304 WeakPolarHBondContact CB-O 3.04Å
303	R	98.1	Very high	98	Very high	114 Å²	114	38.3 Å²	38.3	43%	0.43	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-38.1	174.8	-61.6	176.6	61.8	-178	-0.4	111.7	D51 R465	D51-R303 WeakPolarHBondContact O-CB 3.33Å; D51-R303 PolarHBondContact O-N 2.78Å; D51-R303 VanDerWaalsContact O-N 3.14Å; R303-R465 WeakPolarHBondContact O-CD 3.45Å; R303-R465 PolarHBondContact O-NH1 3.34Å
304	Y	98.8	Very high	97.9	Very high	36 Å²	36	36.8 Å²	36.8	14%	0.141	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	161.1	179.3	-64.1	-82.1	0	0	0	111.5	D51 V52 V53 A302 R465 Y467 V495 A498 M499	D51-Y304 PolarHBondContact O-N 3.47Å; V52-Y304 WeakPolarHBondContact CA-O 3.43Å; V53-Y304 PolarHBondContact N-O 2.98Å; V53-Y304 VanDerWaalsContact N-O 3.1Å; A302-Y304 WeakPolarHBondContact CB-O 3.04Å; Y304-R465 HydrophobicContact CD1-CB 3.93Å; Y304-R465 HydrophobicContact CD1-CG 4.22Å; Y304-R465 HydrophobicContact CE1-CB 4.4Å; Y304-R465 HydrophobicContact CE1-CG 4.21Å; Y304-Y467 HydrophobicContact CD1-CD2 4.25Å; Y304-Y467 AromaticContact CD1-CE2 3.63Å; Y304-Y467 HydrophobicContact CD1-CE2 3.63Å; Y304-Y467 HydrophobicContact CE1-CE2 4.02Å; Y304-V495 HydrophobicContact CD2-CG1 3.93Å; Y304-V495 HydrophobicContact CG-CG1 3.98Å; Y304-A498 HydrophobicContact CE1-CB 4.03Å; Y304-A498 PolarHBondContact OH-O 2.71Å; Y304-M499 HydrophobicContact CD2-CG 4.01Å; Y304-M499 HydrophobicContact CD2-SD 4.2Å; Y304-M499 HydrophobicContact CE2-CG 3.47Å; Y304-M499 VanDerWaalsContact CE2-CG 3.47Å; Y304-M499 HydrophobicContact CE2-SD 4.23Å
305	V	98.9	Very high	97.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.1	173.6	179	0	0	0	0	109.9	V53 I55 V290 V292 V307 R465 L466 Y467	V53-V305 HydrophobicContact CB-CG2 4.31Å; V53-V305 CarbonylContact O-C 3.26Å; V53-V305 VanDerWaalsContact O-CA 3.23Å; V53-V305 WeakPolarHBondContact O-CA 3.37Å; I55-V305 HydrophobicContact CD1-CG1 3.68Å; I55-V305 HydrophobicContact CG1-CG1 3.96Å; V290-V305 HydrophobicContact CB-CG2 3.91Å; V290-V305 HydrophobicContact CG1-CG2 3.53Å; V290-V305 HydrophobicContact CG2-CG2 4.31Å; V292-V305 HydrophobicContact CG2-CG2 3.83Å; V305-V307 HydrophobicContact CG1-CG2 4.2Å; V305-R465 PolarHBondContact N-O 3.29Å; V305-L466 HydrophobicContact CB-CD2 3.72Å; V305-L466 HydrophobicContact CG1-CD2 4.35Å; V305-L466 HydrophobicContact CG2-CD2 4.11Å; V305-L466 WeakPolarHBondContact O-CA 3.37Å; V305-Y467 PolarHBondContact O-N 3.05Å
306	V	98.9	Very high	97.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115.3	167	178.2	0	0	0	0	108.7	V52 V53 V54 I55 A64 Y467 A469 A491 V495	V52-V306 HydrophobicContact CG1-CG2 4Å; V53-V306 PolarHBondContact O-N 3.43Å; V54-V306 CarbonylContact C-O 3.56Å; V54-V306 WeakPolarHBondContact CA-O 3.4Å; V54-V306 HydrophobicContact CG1-CB 4.26Å; V54-V306 HydrophobicContact CG1-CG1 4.38Å; V54-V306 HydrophobicContact CG2-CB 4.23Å; I55-V306 PolarHBondContact N-O 3.37Å; A64-V306 HydrophobicContact CB-CG1 4.29Å; V306-Y467 CarbonylContact C-O 3.56Å; V306-Y467 WeakPolarHBondContact CA-O 3.48Å; V306-A469 HydrophobicContact CG1-CB 3.71Å; V306-A491 HydrophobicContact CG1-CB 3.94Å; V306-V495 HydrophobicContact CG2-CG2 3.98Å
307	V	98.9	Very high	98.1	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	104.5	174.8	-175.7	0	0	0	0	108.3	I55 V305 T309 N314 M317 Y467 F468 A469	I55-V307 HydrophobicContact CD1-CG2 4.42Å; V305-V307 HydrophobicContact CG1-CG2 4.2Å; V307-T309 WeakPolarHBondContact CG1-OG1 3.47Å; V307-N314 WeakPolarHBondContact CG1-OD1 3.36Å; V307-M317 HydrophobicContact CG1-CE 3.97Å; V307-Y467 PolarHBondContact N-O 3.18Å; V307-F468 HydrophobicContact CB-CD1 3.77Å; V307-F468 HydrophobicContact CB-CE1 4.05Å; V307-F468 HydrophobicContact CG1-CD1 4.2Å; V307-F468 HydrophobicContact CG1-CE1 4.35Å; V307-F468 HydrophobicContact CG2-CD1 4.28Å; V307-F468 HydrophobicContact CG2-CE1 4.11Å; V307-A469 PolarHBondContact O-N 3.49Å
308	A	98.9	Very high	98.3	Very high	9 Å²	9	34.2 Å²	34.2	7%	0.074	17%	0.171	C	C	.	.			trans	-108.8	22.6	-175	0	0	0	0	0	113.5	V54 I55 A469	V54-A308 HydrophobicContact CG1-CB 4.37Å; I55-A308 CarbonylContact O-C 3.36Å; I55-A308 WeakPolarHBondContact O-CA 3.46Å; I55-A308 WeakPolarHBondContact O-CB 3.36Å; I55-A308 PolarHBondContact O-N 3.25Å; A308-A469 HydrophobicContact CB-CB 3.94Å
309	T	98.5	Very high	98.4	Very high	24 Å²	24	31.9 Å²	31.9	15%	0.147	16%	0.16	C	C	.	.	S	Bend	trans	-93.6	153.7	175.5	47.3	0	0	0	0	111.9	I55 V307 N314	I55-T309 HydrophobicContact CG2-CG2 4.2Å; V307-T309 WeakPolarHBondContact CG1-OG1 3.47Å; T309-N314 PolarHBondContact OG1-OD1 3.02Å
310	P	98.4	Very high	98.4	Very high	11 Å²	11	32.1 Å²	32.1	7%	0.071	16%	0.158	C	C	.	.			trans	-52	142.9	169.7	-21.7	28.7	0	0	0	111.3	A312 L313 M336	P310-A312 VanDerWaalsContact C-N 3.27Å; P310-A312 PolarHBondContact O-N 2.93Å; P310-A312 VanDerWaalsContact O-N 3.13Å; P310-L313 HydrophobicContact CB-CG 4.29Å; P310-L313 HydrophobicContact CG-CD1 4.08Å; P310-L313 HydrophobicContact CG-CG 4.22Å; P310-L313 WeakPolarHBondContact O-CB 3.17Å; P310-L313 PolarHBondContact O-N 2.91Å; P310-M336 HydrophobicContact CB-SD 3.94Å
311	P	98.2	Very high	98.4	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.026	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-52.5	-39.3	-176.1	-31.7	37.8	0	0	0	114.8	L313 N314 I331 V334 L459 E472	P311-L313 VanDerWaalsContact C-N 3.27Å; P311-L313 PolarHBondContact O-N 2.99Å; P311-N314 VanDerWaalsContact O-CB 3.24Å; P311-N314 WeakPolarHBondContact O-CB 3.46Å; P311-N314 PolarHBondContact O-N 2.8Å; P311-I331 HydrophobicContact CB-CG2 4.38Å; P311-I331 WeakPolarHBondContact O-CB 3.35Å; P311-I331 WeakPolarHBondContact O-CG2 3.45Å; P311-V334 HydrophobicContact CB-CG2 3.45Å; P311-V334 VanDerWaalsContact CB-CG2 3.45Å; P311-V334 HydrophobicContact CG-CG2 4.34Å; P311-L459 HydrophobicContact CG-CD1 4.11Å; P311-E472 HydrophobicContact CG-CB 4.11Å; P311-E472 HydrophobicContact CG-CG 4.32Å
312	A	96.6	Very high	98.4	Very high	27 Å²	27	41.6 Å²	41.6	22%	0.223	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-63.6	-29.5	177.6	0	0	0	0	0	113.5	P310 N314 L315	P310-A312 VanDerWaalsContact C-N 3.27Å; P310-A312 PolarHBondContact O-N 2.93Å; P310-A312 VanDerWaalsContact O-N 3.13Å; A312-N314 PolarHBondContact O-N 2.81Å; A312-L315 WeakPolarHBondContact O-CB 3.25Å; A312-L315 WeakPolarHBondContact O-CG 3.48Å; A312-L315 PolarHBondContact O-N 3.01Å
313	L	98.1	Very high	98.4	Very high	16 Å²	16	42 Å²	42	8%	0.084	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-74.3	-14.1	176.4	-59.8	-167.8	0	0	0	112.5	P310 P311 L315 K316 Y438	P310-L313 HydrophobicContact CB-CG 4.29Å; P310-L313 HydrophobicContact CG-CD1 4.08Å; P310-L313 HydrophobicContact CG-CG 4.22Å; P310-L313 WeakPolarHBondContact O-CB 3.17Å; P310-L313 PolarHBondContact O-N 2.91Å; P311-L313 VanDerWaalsContact C-N 3.27Å; P311-L313 PolarHBondContact O-N 2.99Å; L313-L315 PolarHBondContact O-N 3.36Å; L313-K316 WeakPolarHBondContact O-CB 3.21Å; L313-K316 PolarHBondContact O-N 2.85Å; L313-Y438 WeakPolarHBondContact CD1-O 3.49Å
314	N	98.3	Very high	98.4	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-65.4	-20.7	174.4	-59.8	-7.8	0	0	0	111.8	V307 T309 P311 A312 K316 M317 F319 I331	V307-N314 WeakPolarHBondContact CG1-OD1 3.36Å; T309-N314 PolarHBondContact OG1-OD1 3.02Å; P311-N314 VanDerWaalsContact O-CB 3.24Å; P311-N314 WeakPolarHBondContact O-CB 3.46Å; P311-N314 PolarHBondContact O-N 2.8Å; A312-N314 PolarHBondContact O-N 2.81Å; N314-K316 PolarHBondContact O-N 2.9Å; N314-M317 HydrophobicContact CB-CE 4.08Å; N314-M317 PolarHBondContact O-N 3.08Å; N314-M317 VanDerWaalsContact O-N 3.09Å; N314-M317 WeakPolarHBondContact OD1-CE 3.16Å; N314-F319 HydrophobicContact CB-CZ 4.39Å; N314-F319 WeakPolarHBondContact O-CE2 3.38Å; N314-I331 HydrophobicContact CB-CD1 4.09Å; N314-I331 HydrophobicContact CB-CG2 4.13Å
315	L	97.8	Very high	98.4	Very high	71 Å²	71	42.8 Å²	42.8	37%	0.372	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-62.7	-18.3	172	-65.4	174.2	0	0	0	113.7	A312 L313 M317 I331 Y332	A312-L315 WeakPolarHBondContact O-CB 3.25Å; A312-L315 WeakPolarHBondContact O-CG 3.48Å; A312-L315 PolarHBondContact O-N 3.01Å; L313-L315 PolarHBondContact O-N 3.36Å; L315-M317 VanDerWaalsContact C-N 3.25Å; L315-I331 HydrophobicContact CD2-CB 4.44Å; L315-I331 HydrophobicContact CD2-CD1 3.72Å; L315-I331 HydrophobicContact CD2-CG1 3.77Å; L315-I331 HydrophobicContact CG-CD1 4.31Å; L315-I331 HydrophobicContact CG-CG1 4.37Å; L315-Y332 HydrophobicContact CD1-CD1 4.06Å; L315-Y332 HydrophobicContact CD1-CE1 4.29Å; L315-Y332 HydrophobicContact CD1-CG 4.48Å; L315-Y332 HydrophobicContact CD2-CD1 3.75Å; L315-Y332 HydrophobicContact CD2-CD2 3.7Å; L315-Y332 HydrophobicContact CD2-CE1 3.53Å; L315-Y332 HydrophobicContact CD2-CE2 3.45Å; L315-Y332 VanDerWaalsContact CD2-CE2 3.45Å; L315-Y332 HydrophobicContact CD2-CG 3.83Å
316	K	97.9	Very high	98.3	Very high	80 Å²	80	45.7 Å²	45.7	35%	0.348	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-80.8	-5.9	175.9	-61.2	-171.1	167.4	-163.7	0	113.3	L313 N314 E437	L313-K316 WeakPolarHBondContact O-CB 3.21Å; L313-K316 PolarHBondContact O-N 2.85Å; N314-K316 PolarHBondContact O-N 2.9Å; K316-E437 VanDerWaalsContact NZ-CG 3.33Å; K316-E437 PolarHBondContact NZ-O 3.27Å; K316-E437 IonicContact NZ-OE1 3.65Å; K316-E437 PolarHBondContact NZ-OE1 3.1Å
317	M	98.5	Very high	98.3	Very high	13 Å²	13	46 Å²	46	6%	0.064	25%	0.249	C	C	.	.	S	Bend	trans	-111.9	132.9	-177.7	-65.5	179.3	-77.8	0	0	110.7	I55 V280 Y281 I283 V307 N314 L315 F319	I55-M317 HydrophobicContact CD1-SD 4Å; I55-M317 HydrophobicContact CG2-SD 4.18Å; V280-M317 HydrophobicContact CB-SD 4.27Å; V280-M317 HydrophobicContact CG1-CG 4.26Å; V280-M317 HydrophobicContact CG1-SD 3.95Å; Y281-M317 CarbonylContact O-C 3.52Å; Y281-M317 WeakPolarHBondContact O-CA 3.22Å; I283-M317 HydrophobicContact CD1-SD 3.73Å; V307-M317 HydrophobicContact CG1-CE 3.97Å; N314-M317 HydrophobicContact CB-CE 4.08Å; N314-M317 PolarHBondContact O-N 3.08Å; N314-M317 VanDerWaalsContact O-N 3.09Å; N314-M317 WeakPolarHBondContact OD1-CE 3.16Å; L315-M317 VanDerWaalsContact C-N 3.25Å; M317-F319 HydrophobicContact CB-CD2 4.48Å; M317-F319 HydrophobicContact CB-CE2 3.8Å; M317-F319 HydrophobicContact CB-CZ 3.93Å; M317-F319 HydrophobicContact CE-CZ 4.17Å; M317-F319 VanDerWaalsContact O-CD2 3.3Å; M317-F319 WeakPolarHBondContact O-CD2 3.33Å; M317-F319 WeakPolarHBondContact O-CE2 3.26Å
318	H	98.5	Very high	98.3	Very high	133 Å²	133	48.3 Å²	48.3	62%	0.616	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	121.2	169.6	-62.6	-75	0	0	0	109.6	Y281 R282 I283	Y281-H318 PolarHBondContact O-CD2 3.26Å; Y281-H318 PolarHBondContact O-N 2.72Å; R282-H318 CarbonylContact C-O 3.53Å; R282-H318 WeakPolarHBondContact CA-O 3.34Å; R282-H318 HydrophobicContact CG-CB 4.32Å; I283-H318 PolarHBondContact N-O 3.2Å
319	F	98.8	Very high	98.2	Very high	29 Å²	29	51.5 Å²	51.5	13%	0.127	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.2	179.9	-62.9	-92.7	0	0	0	110.6	I283 N314 M317 P321 L323 L466	I283-F319 HydrophobicContact CB-CD1 4.21Å; I283-F319 HydrophobicContact CD1-CD1 4.23Å; I283-F319 HydrophobicContact CD1-CE1 3.68Å; I283-F319 HydrophobicContact CD1-CZ 4.32Å; I283-F319 CarbonylContact O-C 3.58Å; I283-F319 WeakPolarHBondContact O-CA 3.45Å; N314-F319 HydrophobicContact CB-CZ 4.39Å; N314-F319 WeakPolarHBondContact O-CE2 3.38Å; M317-F319 HydrophobicContact CB-CD2 4.48Å; M317-F319 HydrophobicContact CB-CE2 3.8Å; M317-F319 HydrophobicContact CB-CZ 3.93Å; M317-F319 HydrophobicContact CE-CZ 4.17Å; M317-F319 VanDerWaalsContact O-CD2 3.3Å; M317-F319 WeakPolarHBondContact O-CD2 3.33Å; M317-F319 WeakPolarHBondContact O-CE2 3.26Å; F319-P321 CarbonylContact C-O 3.54Å; F319-P321 VanDerWaalsContact C-O 3.26Å; F319-P321 CarbonylContact O-C 3.55Å; F319-L323 HydrophobicContact CB-CD2 4.24Å; F319-L323 HydrophobicContact CB-CG 4Å; F319-L323 HydrophobicContact CD1-CD2 3.67Å; F319-L323 HydrophobicContact CD1-CG 4.07Å; F319-L323 HydrophobicContact CD2-CD1 3.64Å; F319-L323 HydrophobicContact CD2-CD2 4.18Å; F319-L323 HydrophobicContact CD2-CG 3.65Å; F319-L323 HydrophobicContact CE1-CD1 4.46Å; F319-L323 HydrophobicContact CE1-CD2 3.99Å; F319-L323 HydrophobicContact CE1-CG 4.47Å; F319-L323 HydrophobicContact CE2-CD1 3.62Å; F319-L323 HydrophobicContact CE2-CD2 4.49Å; F319-L323 HydrophobicContact CE2-CG 4.11Å; F319-L323 HydrophobicContact CG-CD1 4.11Å; F319-L323 HydrophobicContact CG-CD2 3.77Å; F319-L323 HydrophobicContact CG-CG 3.64Å; F319-L323 HydrophobicContact CZ-CD1 4.05Å; F319-L323 HydrophobicContact CZ-CD2 4.4Å; F319-L323 HydrophobicContact CZ-CG 4.49Å; F319-L466 HydrophobicContact CD1-CD1 3.75Å; F319-L466 HydrophobicContact CE1-CD1 3.89Å
320	N	98.6	Very high	98.2	Very high	68 Å²	68	50.3 Å²	50.3	36%	0.364	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.1	172.6	-172.6	31.7	0	0	0	110.7	I283 D284 Q285 T286	I283-N320 PolarHBondContact O-N 3.03Å; D284-N320 CarbonylContact C-O 3.54Å; D284-N320 WeakPolarHBondContact CA-O 3.37Å; D284-N320 HydrophobicContact CB-CB 4.2Å; D284-N320 VanDerWaalsContact CG-ND2 3.3Å; D284-N320 PolarHBondContact OD1-ND2 2.57Å; D284-N320 PolarHBondContact OD2-ND2 2.9Å; Q285-N320 PolarHBondContact N-O 2.7Å; T286-N320 WeakPolarHBondContact CG2-ND2 3.49Å
321	P	98.3	Very high	98.2	Very high	70 Å²	70	50 Å²	50	46%	0.455	27%	0.265	S	S	.	.	S	Bend	cis	-60.2	167.2	-11.7	30.9	-35.7	0	0	0	111.3	F319	F319-P321 CarbonylContact C-O 3.54Å; F319-P321 VanDerWaalsContact C-O 3.26Å; F319-P321 CarbonylContact O-C 3.55Å
322	E	98.3	Very high	98.2	Very high	165 Å²	165	56.9 Å²	56.9	77%	0.771	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-53.4	149.9	177.8	-63.6	177.2	-171.7	0	0	112
323	L	98.4	Very high	98.2	Very high	9 Å²	9	60.1 Å²	60.1	5%	0.047	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-60.6	144.4	172.5	-67.5	177.5	0	0	0	110.4	F319 R327 N328 I331 V463 L466	F319-L323 HydrophobicContact CB-CD2 4.24Å; F319-L323 HydrophobicContact CB-CG 4Å; F319-L323 HydrophobicContact CD1-CD2 3.67Å; F319-L323 HydrophobicContact CD1-CG 4.07Å; F319-L323 HydrophobicContact CD2-CD1 3.64Å; F319-L323 HydrophobicContact CD2-CD2 4.18Å; F319-L323 HydrophobicContact CD2-CG 3.65Å; F319-L323 HydrophobicContact CE1-CD1 4.46Å; F319-L323 HydrophobicContact CE1-CD2 3.99Å; F319-L323 HydrophobicContact CE1-CG 4.47Å; F319-L323 HydrophobicContact CE2-CD1 3.62Å; F319-L323 HydrophobicContact CE2-CD2 4.49Å; F319-L323 HydrophobicContact CE2-CG 4.11Å; F319-L323 HydrophobicContact CG-CD1 4.11Å; F319-L323 HydrophobicContact CG-CD2 3.77Å; F319-L323 HydrophobicContact CG-CG 3.64Å; F319-L323 HydrophobicContact CZ-CD1 4.05Å; F319-L323 HydrophobicContact CZ-CD2 4.4Å; F319-L323 HydrophobicContact CZ-CG 4.49Å; L323-R327 HydrophobicContact CB-CB 4.46Å; L323-R327 HydrophobicContact CB-CG 4.48Å; L323-R327 HydrophobicContact CD1-CG 4.19Å; L323-N328 HydrophobicContact CB-CB 4.27Å; L323-I331 HydrophobicContact CD1-CD1 3.87Å; L323-V463 HydrophobicContact CD2-CG1 4.12Å; L323-V463 HydrophobicContact CD2-CG2 4.49Å; L323-L466 HydrophobicContact CD2-CD1 4.44Å
324	P	98.6	Very high	98.2	Very high	61 Å²	61	59.4 Å²	59.4	40%	0.396	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-51.1	144	174.7	-28.9	34.9	0	0	0	111.9	L326 R327 N328 V463	P324-L326 VanDerWaalsContact C-N 3.26Å; P324-L326 PolarHBondContact O-N 3.01Å; P324-R327 PolarHBondContact O-N 2.82Å; P324-N328 PolarHBondContact O-N 2.89Å; P324-V463 VanDerWaalsContact CD-CG1 3.44Å; P324-V463 HydrophobicContact CG-CG1 3.98Å; P324-V463 HydrophobicContact CG-CG2 4.12Å
325	P	98.2	Very high	98.2	Very high	106 Å²	106	61.4 Å²	61.4	69%	0.688	31%	0.308	S	S	*	.	H	α-helix	trans	-51.5	-40.1	-169.4	-31.2	35.1	0	0	0	114.7	N328 Q329	P325-N328 PolarHBondContact O-N 3.41Å; P325-Q329 WeakPolarHBondContact O-CB 3.41Å; P325-Q329 WeakPolarHBondContact O-CG 3.37Å; P325-Q329 PolarHBondContact O-N 3.03Å
326	L	98.1	Very high	98.2	Very high	61 Å²	61	58.8 Å²	58.8	32%	0.319	29%	0.294	S	S	.	.	H	α-helix	trans	-66.8	-41.1	178.2	-65	-180	0	0	0	112.8	P324 L330 F455 V458	P324-L326 VanDerWaalsContact C-N 3.26Å; P324-L326 PolarHBondContact O-N 3.01Å; L326-L330 WeakPolarHBondContact O-CB 3.17Å; L326-L330 PolarHBondContact O-N 3.06Å; L326-F455 HydrophobicContact CB-CD1 4.5Å; L326-F455 HydrophobicContact CD2-CD1 4.13Å; L326-F455 HydrophobicContact CD2-CE1 4.02Å; L326-V458 HydrophobicContact CB-CG1 4Å; L326-V458 HydrophobicContact CB-CG2 4.06Å; L326-V458 HydrophobicContact CD1-CG1 4.27Å
327	R	98.3	Very high	98.2	Very high	6 Å²	6	55 Å²	55	2%	0.023	28%	0.277	C	S	.	.	H	α-helix	trans	-69.2	-40.3	177.4	-175	67.7	175.2	166.7	0.7	110.3	L323 P324 L330 I331 V458 L459 V463 F468	L323-R327 HydrophobicContact CB-CB 4.46Å; L323-R327 HydrophobicContact CB-CG 4.48Å; L323-R327 HydrophobicContact CD1-CG 4.19Å; P324-R327 PolarHBondContact O-N 2.82Å; R327-L330 VanDerWaalsContact NH1-CD2 3.32Å; R327-L330 WeakPolarHBondContact O-CB 3.25Å; R327-L330 PolarHBondContact O-N 2.62Å; R327-I331 PolarHBondContact O-N 2.83Å; R327-V458 HydrophobicContact CB-CG2 4.39Å; R327-V458 VanDerWaalsContact CD-O 3.26Å; R327-V458 WeakPolarHBondContact CD-O 3.48Å; R327-V458 PolarHBondContact NH1-O 3.29Å; R327-L459 PolarHBondContact NH1-O 2.88Å; R327-L459 PolarHBondContact NH2-O 3.3Å; R327-V463 HydrophobicContact CG-CG2 4.41Å; R327-F468 VanDerWaalsContact NH2-CE1 3.32Å
328	N	98.1	Very high	98.2	Very high	51 Å²	51	55.4 Å²	55.4	27%	0.273	28%	0.281	S	S	.	.	H	α-helix	trans	-59.8	-50.3	174.9	-163.3	27.5	0	0	0	110.4	L323 P324 P325 L330 I331 Y332	L323-N328 HydrophobicContact CB-CB 4.27Å; P324-N328 PolarHBondContact O-N 2.89Å; P325-N328 PolarHBondContact O-N 3.41Å; N328-L330 VanDerWaalsContact C-N 3.35Å; N328-L330 PolarHBondContact O-N 2.73Å; N328-I331 WeakPolarHBondContact O-CG1 3.4Å; N328-I331 PolarHBondContact O-N 3.29Å; N328-Y332 WeakPolarHBondContact O-CD2 3.4Å
329	Q	98.4	Very high	98.3	Very high	75 Å²	75	49.1 Å²	49.1	35%	0.35	25%	0.252	S	S	.	.	H	α-helix	trans	-65.4	-34	177.9	-69.1	-59.7	-50.9	0	0	113.7	P325 Y332 R333 F455	P325-Q329 WeakPolarHBondContact O-CB 3.41Å; P325-Q329 WeakPolarHBondContact O-CG 3.37Å; P325-Q329 PolarHBondContact O-N 3.03Å; Q329-Y332 PolarHBondContact O-N 3.46Å; Q329-R333 PolarHBondContact O-NH1 2.72Å; Q329-F455 HydrophobicContact CB-CD1 4.28Å; Q329-F455 HydrophobicContact CB-CE1 3.64Å; Q329-F455 HydrophobicContact CB-CZ 4.03Å
330	L	98.5	Very high	98.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.3	-50.7	176.8	175.4	64	0	0	0	111.4	L326 R327 N328 Y332 R333 V334 F447 T451 F455 V458 L459	L326-L330 WeakPolarHBondContact O-CB 3.17Å; L326-L330 PolarHBondContact O-N 3.06Å; R327-L330 VanDerWaalsContact NH1-CD2 3.32Å; R327-L330 WeakPolarHBondContact O-CB 3.25Å; R327-L330 PolarHBondContact O-N 2.62Å; N328-L330 VanDerWaalsContact C-N 3.35Å; N328-L330 PolarHBondContact O-N 2.73Å; L330-Y332 PolarHBondContact O-N 3.26Å; L330-Y332 VanDerWaalsContact O-N 3.13Å; L330-R333 PolarHBondContact O-N 2.93Å; L330-V334 HydrophobicContact CD1-CG1 3.66Å; L330-V334 HydrophobicContact CG-CG1 4.47Å; L330-V334 WeakPolarHBondContact O-CG2 3.22Å; L330-F447 HydrophobicContact CD1-CE1 4.02Å; L330-F447 HydrophobicContact CD1-CZ 4.46Å; L330-T451 HydrophobicContact CD1-CG2 4.38Å; L330-F455 HydrophobicContact CB-CB 3.96Å; L330-F455 HydrophobicContact CB-CG 4.45Å; L330-F455 HydrophobicContact CD1-CB 3.6Å; L330-F455 HydrophobicContact CG-CB 4.26Å; L330-V458 HydrophobicContact CB-CG2 4.3Å; L330-V458 HydrophobicContact CD2-CG2 3.9Å; L330-L459 HydrophobicContact CD2-CB 4.37Å; L330-L459 HydrophobicContact CD2-CD1 4.18Å
331	I	97.9	Very high	98.3	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.015	23%	0.23	C	C	.	.	H	α-helix	trans	-66.2	-17.5	-172.5	59.3	169.1	0	0	0	113.5	P311 N314 L315 L323 R327 N328	P311-I331 HydrophobicContact CB-CG2 4.38Å; P311-I331 WeakPolarHBondContact O-CB 3.35Å; P311-I331 WeakPolarHBondContact O-CG2 3.45Å; N314-I331 HydrophobicContact CB-CD1 4.09Å; N314-I331 HydrophobicContact CB-CG2 4.13Å; L315-I331 HydrophobicContact CD2-CB 4.44Å; L315-I331 HydrophobicContact CD2-CD1 3.72Å; L315-I331 HydrophobicContact CD2-CG1 3.77Å; L315-I331 HydrophobicContact CG-CD1 4.31Å; L315-I331 HydrophobicContact CG-CG1 4.37Å; L323-I331 HydrophobicContact CD1-CD1 3.87Å; R327-I331 PolarHBondContact O-N 2.83Å; N328-I331 WeakPolarHBondContact O-CG1 3.4Å; N328-I331 PolarHBondContact O-N 3.29Å
332	Y	97.1	Very high	98.3	Very high	150 Å²	150	41.4 Å²	41.4	59%	0.588	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-15.7	169.9	-76	-84.5	0	0	0	114.5	L315 N328 Q329 L330	L315-Y332 HydrophobicContact CD1-CD1 4.06Å; L315-Y332 HydrophobicContact CD1-CE1 4.29Å; L315-Y332 HydrophobicContact CD1-CG 4.48Å; L315-Y332 HydrophobicContact CD2-CD1 3.75Å; L315-Y332 HydrophobicContact CD2-CD2 3.7Å; L315-Y332 HydrophobicContact CD2-CE1 3.53Å; L315-Y332 HydrophobicContact CD2-CE2 3.45Å; L315-Y332 VanDerWaalsContact CD2-CE2 3.45Å; L315-Y332 HydrophobicContact CD2-CG 3.83Å; N328-Y332 WeakPolarHBondContact O-CD2 3.4Å; Q329-Y332 PolarHBondContact O-N 3.46Å; L330-Y332 PolarHBondContact O-N 3.26Å; L330-Y332 VanDerWaalsContact O-N 3.13Å
333	R	98.1	Very high	98.3	Very high	94 Å²	94	33.5 Å²	33.5	36%	0.355	17%	0.171	S	C	.	.	S	Bend	trans	-113.4	5.6	-166.5	-75.9	170	178.9	65.9	-1.9	114.8	Q329 L330 P335 P448 T451	Q329-R333 PolarHBondContact O-NH1 2.72Å; L330-R333 PolarHBondContact O-N 2.93Å; R333-P335 VanDerWaalsContact C-CD 3.41Å; R333-P335 WeakPolarHBondContact O-CD 3.45Å; R333-P448 WeakPolarHBondContact O-CD 3.32Å; R333-T451 HydrophobicContact CB-CG2 3.87Å
334	V	97.1	Very high	98.3	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	17%	0.169	C	C	.	.			trans	-119.8	72.6	-174.2	-71.2	0	0	0	0	110.5	P311 L330 F447 T451	P311-V334 HydrophobicContact CB-CG2 3.45Å; P311-V334 VanDerWaalsContact CB-CG2 3.45Å; P311-V334 HydrophobicContact CG-CG2 4.34Å; L330-V334 HydrophobicContact CD1-CG1 3.66Å; L330-V334 HydrophobicContact CG-CG1 4.47Å; L330-V334 WeakPolarHBondContact O-CG2 3.22Å; V334-F447 HydrophobicContact CG1-CD1 4.04Å; V334-F447 HydrophobicContact CG1-CD2 4.18Å; V334-F447 HydrophobicContact CG1-CE1 3.72Å; V334-F447 HydrophobicContact CG1-CE2 3.88Å; V334-F447 HydrophobicContact CG1-CG 4.26Å; V334-F447 HydrophobicContact CG1-CZ 3.63Å; V334-T451 HydrophobicContact CG1-CG2 4.16Å
335	P	98.2	Very high	98.3	Very high	44 Å²	44	30.4 Å²	30.4	29%	0.286	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-64.9	159	179.5	30.1	-38	0	0	0	112.2	R333 A445 Y446 P448	R333-P335 VanDerWaalsContact C-CD 3.41Å; R333-P335 WeakPolarHBondContact O-CD 3.45Å; P335-A445 CarbonylContact O-C 3.53Å; P335-A445 WeakPolarHBondContact O-CA 2.94Å; P335-Y446 HydrophobicContact CB-CE1 3.95Å; P335-Y446 HydrophobicContact CG-CD1 4.12Å; P335-Y446 HydrophobicContact CG-CD2 4.11Å; P335-Y446 HydrophobicContact CG-CE1 3.57Å; P335-Y446 HydrophobicContact CG-CE2 3.55Å; P335-Y446 HydrophobicContact CG-CG 4.38Å; P335-Y446 WeakPolarHBondContact CG-OH 3.43Å; P335-Y446 PolarHBondContact O-N 3.13Å; P335-P448 HydrophobicContact CG-CG 4.2Å
336	M	98.6	Very high	98.4	Very high	16 Å²	16	25.7 Å²	25.7	8%	0.079	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-86.4	149.8	170.6	-62.6	-65.3	-67.1	0	0	110.9	P310 G441 A445	P310-M336 HydrophobicContact CB-SD 3.94Å; M336-G441 WeakPolarHBondContact CE-O 3.39Å; M336-A445 HydrophobicContact SD-CB 3.95Å; M336-A445 PolarHBondContact SD-N 3.42Å; M336-A445 VanDerWaalsContact SD-N 3.4Å
337	G	98.5	Very high	98.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-70.3	166.1	170.5	0	0	0	0	0	113.7	T219 G441 C442 T444	T219-G337 WeakPolarHBondContact OG1-CA 3.31Å; G337-G441 WeakPolarHBondContact O-CA 3.32Å; G337-C442 CarbonylContact C-O 3.53Å; G337-C442 PolarHBondContact O-N 3.32Å; G337-C442 VanDerWaalsContact O-O 3.04Å; G337-T444 PolarHBondContact N-O 2.97Å; G337-T444 VanDerWaalsContact N-O 3.09Å
338	C	98.6	Very high	98.3	Very high	21 Å²	21	35.4 Å²	35.4	14%	0.142	16%	0.161	C	C	.	.			trans	-112.9	122.7	-175.2	-58.8	0	0	0	0	111.8	T219 A391 C394 R395 C434	T219-C338 PolarHBondContact O-N 3.22Å; C338-A391 PolarHBondContact O-N 2.65Å; C338-C394 HydrophobicContact CB-CB 4Å; C338-R395 HydrophobicContact CB-CG 4.41Å; C338-C434 WeakPolarHBondContact CA-SG 3.41Å; C338-C434 VanDerWaalsContact CB-SG 3.55Å
339	V	98.7	Very high	98.2	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	138.8	177.4	65.6	0	0	0	0	113.1	T219 F388 I389 L390 W433 C442	T219-V339 HydrophobicContact CG2-CB 3.88Å; T219-V339 HydrophobicContact CG2-CG1 4.28Å; T219-V339 HydrophobicContact CG2-CG2 4.35Å; V339-F388 HydrophobicContact CG2-CB 4.19Å; V339-F388 HydrophobicContact CG2-CD1 3.6Å; V339-F388 HydrophobicContact CG2-CE1 4.38Å; V339-F388 HydrophobicContact CG2-CG 4.27Å; V339-I389 WeakPolarHBondContact CA-O 3.5Å; V339-L390 HydrophobicContact CG2-CD2 3.97Å; V339-W433 HydrophobicContact CG1-CB 4.27Å; V339-W433 PolarHBondContact O-N 3.34Å; V339-C442 HydrophobicContact CG1-CB 3.48Å; V339-C442 VanDerWaalsContact CG1-CB 3.48Å; V339-C442 WeakPolarHBondContact CG1-O 3.34Å
340	I	98.7	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.6	159.7	-45.4	-176	0	0	0	107.3	I389 C394 E430 K431 N432	I340-I389 HydrophobicContact CB-CB 4.08Å; I340-I389 HydrophobicContact CB-CD1 4.24Å; I340-I389 HydrophobicContact CB-CG1 4.42Å; I340-I389 HydrophobicContact CD1-CD1 4.34Å; I340-I389 HydrophobicContact CG1-CB 4.48Å; I340-I389 PolarHBondContact N-O 3.34Å; I340-I389 PolarHBondContact O-N 3.08Å; I340-C394 HydrophobicContact CG1-CB 4.44Å; I340-C394 VanDerWaalsContact CG1-SG 3.58Å; I340-E430 HydrophobicContact CG2-CB 4.2Å; I340-K431 WeakPolarHBondContact CA-O 3.15Å; I340-N432 HydrophobicContact CD1-CB 4.28Å; I340-N432 HydrophobicContact CG1-CB 4.04Å; I340-N432 HydrophobicContact CG2-CB 4.41Å
341	K	98.7	Very high	98.2	Very high	4 Å²	4	31 Å²	31	2%	0.017	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	124.1	173.3	-165.8	-179.5	-170.4	-172.8	0	108.8	D100 L101 G102 M343 M386 F388 E430 K431	D100-K341 WeakPolarHBondContact O-CE 3.09Å; D100-K341 PolarHBondContact O-NZ 3.09Å; L101-K341 WeakPolarHBondContact O-CD 3.45Å; G102-K341 PolarHBondContact O-NZ 3.11Å; K341-M343 HydrophobicContact CD-SD 4.11Å; K341-M343 HydrophobicContact CG-CE 4.37Å; K341-M343 HydrophobicContact CG-SD 3.72Å; K341-M343 WeakPolarHBondContact O-CE 3.1Å; K341-M386 HydrophobicContact CG-CG 4.23Å; K341-M386 HydrophobicContact CG-SD 4.08Å; K341-F388 HydrophobicContact CB-CD1 4.15Å; K341-F388 HydrophobicContact CB-CE1 4.05Å; K341-F388 HydrophobicContact CD-CE1 3.79Å; K341-F388 HydrophobicContact CD-CZ 4.42Å; K341-F388 HydrophobicContact CG-CD1 3.9Å; K341-F388 HydrophobicContact CG-CE1 3.52Å; K341-F388 HydrophobicContact CG-CZ 4.42Å; K341-E430 CarbonylContact O-C 3.56Å; K341-E430 WeakPolarHBondContact O-CA 3.35Å; K341-K431 PolarHBondContact N-O 3.48Å; K341-K431 PolarHBondContact O-N 3.12Å
342	C	98.8	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.4	-170.8	-61.7	0	0	0	0	109.9	I369 M386 G387 I409 Y428	C342-I369 HydrophobicContact CB-CD1 4.45Å; C342-M386 CarbonylContact O-C 3.53Å; C342-M386 WeakPolarHBondContact O-CA 3.49Å; C342-G387 PolarHBondContact N-O 3.24Å; C342-G387 PolarHBondContact O-N 2.92Å; C342-I409 HydrophobicContact CB-CD1 3.87Å; C342-Y428 HydrophobicContact CB-CE2 3.96Å; C342-Y428 PolarHBondContact SG-OH 3.44Å
343	M	98.8	Very high	98.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	111.6	-179.7	-77.6	69.8	38.9	0	0	109.3	V99 L101 K341 Y345 M386 Y428 E429	V99-M343 HydrophobicContact CG2-CB 4.32Å; V99-M343 HydrophobicContact CG2-CE 4.37Å; V99-M343 HydrophobicContact CG2-CG 3.67Å; V99-M343 HydrophobicContact CG2-SD 4.25Å; L101-M343 HydrophobicContact CD2-CE 3.09Å; L101-M343 HydrophobicContact CD2-SD 4.4Å; L101-M343 HydrophobicContact CG-CE 4.48Å; K341-M343 HydrophobicContact CD-SD 4.11Å; K341-M343 HydrophobicContact CG-CE 4.37Å; K341-M343 HydrophobicContact CG-SD 3.72Å; K341-M343 WeakPolarHBondContact O-CE 3.1Å; M343-Y345 HydrophobicContact CB-CE2 3.74Å; M343-Y345 WeakPolarHBondContact O-CD2 3.4Å; M343-Y345 WeakPolarHBondContact O-CE2 3.46Å; M343-M386 HydrophobicContact CG-CB 4.4Å; M343-M386 HydrophobicContact CG-CG 4.38Å; M343-M386 HydrophobicContact SD-CG 3.95Å; M343-Y428 WeakPolarHBondContact O-CA 3.15Å; M343-Y428 WeakPolarHBondContact O-CD2 3.34Å; M343-E429 HydrophobicContact CB-CB 4.43Å; M343-E429 HydrophobicContact CE-CB 4.19Å; M343-E429 WeakPolarHBondContact CE-O 3.48Å; M343-E429 PolarHBondContact N-O 3.16Å; M343-E429 PolarHBondContact O-N 2.64Å
344	V	98.9	Very high	98.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.6	-179	-170.4	0	0	0	0	108.9	Y346 A384 I385 L406 I409 Y413 P425 Y428	V344-Y346 HydrophobicContact CB-CE2 4.05Å; V344-Y346 HydrophobicContact CG1-CD2 4.49Å; V344-Y346 HydrophobicContact CG1-CE1 4.28Å; V344-Y346 HydrophobicContact CG1-CE2 3.66Å; V344-Y346 WeakPolarHBondContact CG1-OH 3.34Å; V344-A384 CarbonylContact O-C 3.49Å; V344-A384 VanDerWaalsContact O-CA 3.25Å; V344-A384 WeakPolarHBondContact O-CA 3.28Å; V344-I385 PolarHBondContact N-O 3.09Å; V344-I385 PolarHBondContact O-N 3.25Å; V344-L406 HydrophobicContact CG1-CD1 4.04Å; V344-L406 HydrophobicContact CG2-CD1 4.05Å; V344-I409 HydrophobicContact CG2-CG2 3.73Å; V344-Y413 HydrophobicContact CB-CE2 4.23Å; V344-Y413 HydrophobicContact CG2-CE2 3.9Å; V344-P425 HydrophobicContact CG1-CB 3.56Å; V344-P425 HydrophobicContact CG1-CG 4.44Å; V344-Y428 HydrophobicContact CG2-CD2 3.91Å; V344-Y428 HydrophobicContact CG2-CE2 3.98Å
345	Y	98.9	Very high	98.2	Very high	4 Å²	4	35 Å²	35	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.5	-174.9	-63.4	-95.1	0	0	0	111.2	T96 V99 M343 V382 P383 A384 P425 V426 H427 E429	T96-Y345 HydrophobicContact CG2-CE1 3.8Å; T96-Y345 HydrophobicContact CG2-CE2 3.75Å; T96-Y345 WeakPolarHBondContact CG2-OH 3.5Å; V99-Y345 VanDerWaalsContact CB-OH 3.25Å; V99-Y345 WeakPolarHBondContact CB-OH 3.43Å; V99-Y345 WeakPolarHBondContact CG2-OH 3.44Å; M343-Y345 HydrophobicContact CB-CE2 3.74Å; M343-Y345 WeakPolarHBondContact O-CD2 3.4Å; M343-Y345 WeakPolarHBondContact O-CE2 3.46Å; Y345-V382 HydrophobicContact CD1-CG1 3.5Å; Y345-V382 HydrophobicContact CE1-CG1 3.6Å; Y345-P383 CarbonylContact C-O 3.59Å; Y345-P383 WeakPolarHBondContact CA-O 3.49Å; Y345-A384 HydrophobicContact CD1-CB 3.62Å; Y345-A384 HydrophobicContact CE1-CB 3.71Å; Y345-A384 HydrophobicContact CG-CB 4.23Å; Y345-P425 CarbonylContact O-C 3.16Å; Y345-P425 VanDerWaalsContact O-CA 3.22Å; Y345-P425 WeakPolarHBondContact O-CA 3.32Å; Y345-V426 PolarHBondContact O-N 3.2Å; Y345-H427 HydrophobicContact CD2-CB 3.94Å; Y345-H427 AromaticContact CD2-CD2 3.71Å; Y345-H427 AromaticContact CE2-CD2 3.85Å; Y345-H427 HydrophobicContact CG-CB 4.08Å; Y345-H427 PolarHBondContact N-O 2.91Å; Y345-E429 HydrophobicContact CE2-CB 4.35Å; Y345-E429 HydrophobicContact CE2-CG 4.04Å
346	Y	98.8	Very high	98.2	Very high	7 Å²	7	34.7 Å²	34.7	3%	0.027	16%	0.161	C	C	.	.			trans	-130.6	162.7	-176.8	-64.6	-81.1	0	0	0	111.6	V344 E348 F350 W351 P383 I385 E421 A422 P425	V344-Y346 HydrophobicContact CB-CE2 4.05Å; V344-Y346 HydrophobicContact CG1-CD2 4.49Å; V344-Y346 HydrophobicContact CG1-CE1 4.28Å; V344-Y346 HydrophobicContact CG1-CE2 3.66Å; V344-Y346 WeakPolarHBondContact CG1-OH 3.34Å; Y346-E348 VanDerWaalsContact C-N 3.31Å; Y346-F350 HydrophobicContact CD1-CD1 4.35Å; Y346-F350 AromaticContact CD1-CE1 3.65Å; Y346-F350 HydrophobicContact CD1-CE1 3.65Å; Y346-F350 AromaticContact CD2-CE1 3.96Å; Y346-F350 HydrophobicContact CD2-CE1 3.96Å; Y346-F350 AromaticContact CE1-CE1 3.86Å; Y346-F350 HydrophobicContact CE1-CE1 3.86Å; Y346-F350 HydrophobicContact CE1-CZ 4.42Å; Y346-F350 HydrophobicContact CE2-CE1 4.12Å; Y346-F350 HydrophobicContact CG-CD1 4.25Å; Y346-F350 AromaticContact CG-CE1 3.68Å; Y346-F350 HydrophobicContact CG-CE1 3.68Å; Y346-W351 AromaticContact CD2-CH2 3.83Å; Y346-W351 HydrophobicContact CD2-CH2 3.83Å; Y346-W351 AromaticContact CD2-CZ3 3.4Å; Y346-W351 HydrophobicContact CD2-CZ3 3.4Å; Y346-W351 VanDerWaalsContact CD2-CZ3 3.4Å; Y346-W351 HydrophobicContact CE2-CZ3 4.02Å; Y346-W351 AromaticContact CG-CZ3 3.96Å; Y346-W351 HydrophobicContact CG-CZ3 3.96Å; Y346-P383 PolarHBondContact N-O 3.2Å; Y346-P383 WeakPolarHBondContact O-CD 3.33Å; Y346-I385 HydrophobicContact CE2-CD1 4.2Å; Y346-I385 HydrophobicContact CE2-CG1 4.34Å; Y346-E421 WeakPolarHBondContact CE1-O 3.31Å; Y346-A422 WeakPolarHBondContact CE1-O 3.47Å; Y346-A422 PolarHBondContact OH-O 3.18Å; Y346-P425 HydrophobicContact CE1-CB 4.24Å
347	K	97.9	Very high	98.2	Very high	175 Å²	175	34 Å²	34	76%	0.761	16%	0.157	S	C	*	.	S	Bend	trans	-65.2	-38.2	176	-67.2	-176.5	-179.4	176.7	0	111.9	V426	K347-V426 HydrophobicContact CD-CG1 4.27Å; K347-V426 HydrophobicContact CG-CG1 3.37Å
348	E	97.1	Very high	98.1	Very high	97 Å²	97	34 Å²	34	45%	0.453	16%	0.158	S	C	.	.	S	Bend	trans	-139.2	159.2	-174.1	-59.6	-170.7	149.7	0	0	111.1	Y346 F350 K353	Y346-E348 VanDerWaalsContact C-N 3.31Å; E348-F350 PolarHBondContact O-N 3.48Å; E348-K353 IonicContact OE1-NZ 2.87Å; E348-K353 IonicContact OE2-NZ 3.94Å; E348-K353 PolarHBondContact OE2-NZ 2.96Å
349	N	96.8	Very high	98.1	Very high	29 Å²	29	33.3 Å²	33.3	16%	0.155	15%	0.153	C	C	.	.			trans	-75.9	60.5	171.9	-66.5	-66.6	0	0	0	111	W351 R352 K353 T376 G380 P383	N349-W351 PolarHBondContact O-N 2.97Å; N349-R352 HydrophobicContact CB-CB 4.24Å; N349-R352 HydrophobicContact CB-CG 3.98Å; N349-R352 WeakPolarHBondContact O-CB 3.32Å; N349-R352 PolarHBondContact O-N 2.95Å; N349-K353 PolarHBondContact O-N 2.94Å; N349-T376 WeakPolarHBondContact OD1-CG2 3.48Å; N349-T376 PolarHBondContact OD1-OG1 3.43Å; N349-G380 PolarHBondContact ND2-O 3.39Å; N349-P383 WeakPolarHBondContact OD1-CB 3.35Å
350	F	98.4	Very high	98.1	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-63.7	-30	-171	71.6	-95.7	0	0	0	113.3	Y346 E348 R352 K353 K354 L417 E421 A422	Y346-F350 HydrophobicContact CD1-CD1 4.35Å; Y346-F350 AromaticContact CD1-CE1 3.65Å; Y346-F350 HydrophobicContact CD1-CE1 3.65Å; Y346-F350 AromaticContact CD2-CE1 3.96Å; Y346-F350 HydrophobicContact CD2-CE1 3.96Å; Y346-F350 AromaticContact CE1-CE1 3.86Å; Y346-F350 HydrophobicContact CE1-CE1 3.86Å; Y346-F350 HydrophobicContact CE1-CZ 4.42Å; Y346-F350 HydrophobicContact CE2-CE1 4.12Å; Y346-F350 HydrophobicContact CG-CD1 4.25Å; Y346-F350 AromaticContact CG-CE1 3.68Å; Y346-F350 HydrophobicContact CG-CE1 3.68Å; E348-F350 PolarHBondContact O-N 3.48Å; F350-R352 VanDerWaalsContact C-N 3.3Å; F350-R352 PolarHBondContact O-N 3.38Å; F350-K353 WeakPolarHBondContact O-CB 3.31Å; F350-K353 PolarHBondContact O-N 3.16Å; F350-K354 PolarHBondContact O-N 2.93Å; F350-L417 HydrophobicContact CE2-CB 4.32Å; F350-L417 HydrophobicContact CE2-CD1 3.68Å; F350-L417 HydrophobicContact CZ-CD1 3.79Å; F350-E421 HydrophobicContact CB-CB 4.33Å; F350-E421 WeakPolarHBondContact CB-OE2 3.45Å; F350-E421 HydrophobicContact CD1-CB 3.95Å; F350-E421 HydrophobicContact CD2-CB 3.99Å; F350-E421 HydrophobicContact CE1-CB 4.25Å; F350-E421 HydrophobicContact CE2-CB 4.31Å; F350-E421 HydrophobicContact CG-CB 3.82Å; F350-E421 WeakPolarHBondContact CG-OE2 3.5Å; F350-E421 HydrophobicContact CZ-CB 4.44Å; F350-A422 HydrophobicContact CE2-CB 4.19Å; F350-A422 HydrophobicContact CZ-CB 3.67Å
351	W	98.5	Very high	98	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-36.6	174.1	51.9	93.1	0	0	0	112.3	Y346 N349 K353 K354 G355 Y356 D374 P383 I385 L417	Y346-W351 AromaticContact CD2-CH2 3.83Å; Y346-W351 HydrophobicContact CD2-CH2 3.83Å; Y346-W351 AromaticContact CD2-CZ3 3.4Å; Y346-W351 HydrophobicContact CD2-CZ3 3.4Å; Y346-W351 VanDerWaalsContact CD2-CZ3 3.4Å; Y346-W351 HydrophobicContact CE2-CZ3 4.02Å; Y346-W351 AromaticContact CG-CZ3 3.96Å; Y346-W351 HydrophobicContact CG-CZ3 3.96Å; N349-W351 PolarHBondContact O-N 2.97Å; W351-K353 VanDerWaalsContact C-N 3.34Å; W351-K353 PolarHBondContact O-N 2.81Å; W351-K354 CarbonylContact O-C 3.54Å; W351-K354 WeakPolarHBondContact O-CA 3.38Å; W351-K354 WeakPolarHBondContact O-CB 3.41Å; W351-K354 PolarHBondContact O-N 3.03Å; W351-K354 VanDerWaalsContact O-N 3.07Å; W351-G355 PolarHBondContact O-N 2.75Å; W351-Y356 CarbonylContact C-O 3.5Å; W351-Y356 PolarHBondContact O-N 3.44Å; W351-D374 PolarHBondContact NE1-OD2 3.17Å; W351-P383 HydrophobicContact CH2-CB 3.89Å; W351-P383 HydrophobicContact CZ2-CB 4.37Å; W351-I385 HydrophobicContact CD2-CD1 4.02Å; W351-I385 HydrophobicContact CD2-CG1 4.18Å; W351-I385 HydrophobicContact CE3-CD1 3.69Å; W351-I385 HydrophobicContact CE3-CG1 4.01Å; W351-I385 HydrophobicContact CH2-CD1 4.3Å; W351-I385 HydrophobicContact CH2-CG1 3.72Å; W351-I385 HydrophobicContact CZ2-CG1 3.87Å; W351-I385 HydrophobicContact CZ3-CD1 3.85Å; W351-I385 HydrophobicContact CZ3-CG1 3.8Å; W351-L417 HydrophobicContact CB-CD1 4.28Å; W351-L417 HydrophobicContact CB-CD2 3.98Å
352	R	97.4	Very high	98	Very high	66 Å²	66	33.3 Å²	33.3	25%	0.249	15%	0.153	C	C	.	.	H	α-helix	trans	-66	-37.4	177.5	-59.5	-172.6	-167	-174.5	-2.7	111.8	N349 F350 K354 G355 Y356 D374	N349-R352 HydrophobicContact CB-CB 4.24Å; N349-R352 HydrophobicContact CB-CG 3.98Å; N349-R352 WeakPolarHBondContact O-CB 3.32Å; N349-R352 PolarHBondContact O-N 2.95Å; F350-R352 VanDerWaalsContact C-N 3.3Å; F350-R352 PolarHBondContact O-N 3.38Å; R352-K354 PolarHBondContact O-N 3.49Å; R352-G355 PolarHBondContact O-N 2.85Å; R352-Y356 WeakPolarHBondContact CA-O 3.34Å; R352-Y356 PolarHBondContact N-O 2.88Å; R352-D374 IonicContact CZ-OD2 3.24Å; R352-D374 IonicContact NE-OD2 3.84Å; R352-D374 PolarHBondContact NE-OD2 3.34Å; R352-D374 IonicContact NH2-OD1 3.75Å; R352-D374 PolarHBondContact NH2-OD1 3.2Å; R352-D374 IonicContact NH2-OD2 2.93Å; R352-D374 PolarHBondContact NH2-OD2 3.43Å
353	K	96.3	Very high	97.7	Very high	144 Å²	144	34.6 Å²	34.6	63%	0.626	16%	0.159	S	C	*	.	H	α-helix	trans	-60.9	-25.5	173.4	-62.1	179.6	177.2	178.5	0	112.7	E348 N349 F350 W351 G355	E348-K353 IonicContact OE1-NZ 2.87Å; E348-K353 IonicContact OE2-NZ 3.94Å; E348-K353 PolarHBondContact OE2-NZ 2.96Å; N349-K353 PolarHBondContact O-N 2.94Å; F350-K353 WeakPolarHBondContact O-CB 3.31Å; F350-K353 PolarHBondContact O-N 3.16Å; W351-K353 VanDerWaalsContact C-N 3.34Å; W351-K353 PolarHBondContact O-N 2.81Å; K353-G355 VanDerWaalsContact C-N 3.34Å
354	K	97.1	Very high	97.3	Very high	96 Å²	96	37 Å²	37	42%	0.417	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	3.6	174.4	-59.1	-170.5	72.7	115.8	0	113.7	F350 W351 R352 Y356 L417 G418	F350-K354 PolarHBondContact O-N 2.93Å; W351-K354 CarbonylContact O-C 3.54Å; W351-K354 WeakPolarHBondContact O-CA 3.38Å; W351-K354 WeakPolarHBondContact O-CB 3.41Å; W351-K354 PolarHBondContact O-N 3.03Å; W351-K354 VanDerWaalsContact O-N 3.07Å; R352-K354 PolarHBondContact O-N 3.49Å; K354-Y356 HydrophobicContact CB-CD2 3.93Å; K354-Y356 HydrophobicContact CB-CE2 4.04Å; K354-L417 WeakPolarHBondContact CD-O 3.2Å; K354-L417 WeakPolarHBondContact CE-O 3.41Å; K354-G418 PolarHBondContact NZ-O 3.49Å
355	G	97.9	Very high	96.7	Very high	25 Å²	25	43 Å²	43	26%	0.258	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	26.1	-177.9	0	0	0	0	0	114	E131 H132 W351 R352 K353	E131-G355 VanDerWaalsContact CB-C 3.47Å; E131-G355 WeakPolarHBondContact CB-O 3.49Å; H132-G355 WeakPolarHBondContact CB-O 3.29Å; H132-G355 PolarHBondContact N-O 3.5Å; H132-G355 PolarHBondContact ND1-O 3.42Å; W351-G355 PolarHBondContact O-N 2.75Å; R352-G355 PolarHBondContact O-N 2.85Å; K353-G355 VanDerWaalsContact C-N 3.34Å
356	Y	98.6	Very high	96.3	Very high	39 Å²	39	46.1 Å²	46.1	15%	0.153	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	139.1	174.8	-55.4	-39.8	0	0	0	112.1	H132 V134 P143 W351 R352 K354 G358 L417	H132-Y356 HydrophobicContact CB-CD1 4.44Å; H132-Y356 CarbonylContact O-C 3.55Å; H132-Y356 VanDerWaalsContact O-CA 3.3Å; H132-Y356 WeakPolarHBondContact O-CA 3.23Å; V134-Y356 HydrophobicContact CG2-CD1 3.44Å; V134-Y356 VanDerWaalsContact CG2-CD1 3.44Å; V134-Y356 HydrophobicContact CG2-CD2 4.17Å; V134-Y356 HydrophobicContact CG2-CE1 3.77Å; V134-Y356 HydrophobicContact CG2-CE2 4.42Å; V134-Y356 HydrophobicContact CG2-CG 3.68Å; P143-Y356 HydrophobicContact CB-CE1 4.1Å; P143-Y356 HydrophobicContact CG-CE1 3.78Å; W351-Y356 CarbonylContact C-O 3.5Å; W351-Y356 PolarHBondContact O-N 3.44Å; R352-Y356 WeakPolarHBondContact CA-O 3.34Å; R352-Y356 PolarHBondContact N-O 2.88Å; K354-Y356 HydrophobicContact CB-CD2 3.93Å; K354-Y356 HydrophobicContact CB-CE2 4.04Å; Y356-G358 VanDerWaalsContact C-N 3.33Å; Y356-L417 HydrophobicContact CD2-CD2 3.7Å; Y356-L417 HydrophobicContact CE2-CD2 4.44Å; Y356-L417 HydrophobicContact CG-CD2 4.39Å
357	C	98.3	Very high	96.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-13.3	-176.1	64.1	0	0	0	0	113.5	N128 E131 H132 D374	N128-C357 WeakPolarHBondContact ND2-CA 3.49Å; N128-C357 PolarHBondContact ND2-O 3.13Å; E131-C357 HydrophobicContact CB-CB 4.25Å; E131-C357 WeakPolarHBondContact OE2-CA 3.46Å; H132-C357 PolarHBondContact O-N 2.83Å; H132-C357 PolarHBondContact O-SG 3.39Å; C357-D374 WeakPolarHBondContact O-CB 3.21Å
358	G	97.7	Very high	95.9	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.5	-7.6	-175.3	0	0	0	0	0	114.1	Y356 T372	Y356-G358 VanDerWaalsContact C-N 3.33Å; G358-T372 PolarHBondContact O-OG1 2.9Å
359	T	98.4	Very high	95.9	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.043	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	117.8	171.8	-59.1	0	0	0	0	111	L133 V134 T372	L133-T359 WeakPolarHBondContact CA-O 3.41Å; L133-T359 HydrophobicContact CD2-CG2 3.67Å; L133-T359 HydrophobicContact CG-CG2 4.04Å; V134-T359 PolarHBondContact N-O 2.94Å; T359-T372 WeakPolarHBondContact CA-O 3.43Å; T359-T372 WeakPolarHBondContact CG2-O 3.14Å
360	M	98.3	Very high	95.7	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124	178.8	-48.7	172.4	-77.6	0	0	110.2	V134 I362 L371 T372 I385 Y413 V416 L417	V134-M360 HydrophobicContact CB-CG 4.29Å; V134-M360 CarbonylContact O-C 3.55Å; V134-M360 VanDerWaalsContact O-CA 3.32Å; V134-M360 WeakPolarHBondContact O-CA 3.47Å; M360-I362 HydrophobicContact CB-CD1 4.26Å; M360-I362 HydrophobicContact CB-CG1 4.02Å; M360-L371 WeakPolarHBondContact O-CA 3.33Å; M360-T372 WeakPolarHBondContact CA-OG1 3.13Å; M360-T372 WeakPolarHBondContact CB-OG1 3.33Å; M360-T372 HydrophobicContact CE-CG2 3.54Å; M360-T372 WeakPolarHBondContact CE-OG1 3.04Å; M360-T372 WeakPolarHBondContact CG-OG1 3.14Å; M360-T372 PolarHBondContact N-OG1 3.38Å; M360-T372 PolarHBondContact O-N 3.06Å; M360-T372 PolarHBondContact O-OG1 2.99Å; M360-I385 HydrophobicContact CE-CD1 4.25Å; M360-I385 HydrophobicContact CE-CG2 3.9Å; M360-Y413 HydrophobicContact CE-CD1 3.59Å; M360-Y413 HydrophobicContact CE-CE1 3.68Å; M360-Y413 HydrophobicContact CE-CG 4.11Å; M360-V416 HydrophobicContact CB-CG1 4.07Å; M360-V416 HydrophobicContact CG-CG1 3.89Å; M360-V416 HydrophobicContact SD-CB 3.98Å; M360-V416 HydrophobicContact SD-CG1 3.43Å; M360-V416 WeakPolarHBondContact SD-CG1 3.2Å; M360-L417 HydrophobicContact CG-CD2 4.48Å; M360-L417 HydrophobicContact SD-CD1 4.2Å; M360-L417 HydrophobicContact SD-CD2 3.71Å; M360-L417 HydrophobicContact SD-CG 3.76Å
361	V	97.3	Very high	95.7	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	108.3	170.4	-178.8	0	0	0	0	107.3	V134 Y136 F144 F209 L212 L371	V134-V361 PolarHBondContact O-N 2.98Å; Y136-V361 PolarHBondContact N-O 3Å; F144-V361 HydrophobicContact CZ-CG2 4.34Å; F209-V361 HydrophobicContact CE2-CG1 4.04Å; L212-V361 HydrophobicContact CD2-CG1 3.43Å; L212-V361 VanDerWaalsContact CD2-CG1 3.43Å; V361-L371 HydrophobicContact CG2-CD1 3.9Å
362	I	96.9	Very high	95.7	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	101.6	-169.6	-55.6	174.2	0	0	0	109.6	Y136 M360 E364 A367 I369 G370 I412 V416	Y136-I362 HydrophobicContact CD1-CG2 3.87Å; Y136-I362 HydrophobicContact CE1-CG2 4.49Å; M360-I362 HydrophobicContact CB-CD1 4.26Å; M360-I362 HydrophobicContact CB-CG1 4.02Å; I362-E364 HydrophobicContact CG2-CB 4.41Å; I362-E364 PolarHBondContact O-N 2.98Å; I362-A367 HydrophobicContact CG2-CB 3.74Å; I362-I369 WeakPolarHBondContact CB-O 3.3Å; I362-I369 HydrophobicContact CD1-CB 4.43Å; I362-I369 HydrophobicContact CD1-CG2 4.4Å; I362-G370 PolarHBondContact N-O 3.47Å; I362-I412 HydrophobicContact CD1-CG1 4.17Å; I362-I412 HydrophobicContact CG2-CD1 4.2Å; I362-I412 HydrophobicContact CG2-CG1 4.04Å; I362-V416 HydrophobicContact CD1-CG2 4.11Å; I362-V416 HydrophobicContact CG1-CG2 4.19Å
363	E	93.3	Very high	95.7	Very high	27 Å²	27	29.7 Å²	29.7	13%	0.126	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	71.6	175.9	-72.9	-170.1	-112	0	0	111.4	H135 Y136 V137 R208 F209 L212	H135-E363 IonicContact CD2-OE1 3.04Å; H135-E363 IonicContact CE1-OE1 3.71Å; H135-E363 PolarHBondContact CE1-OE1 2.9Å; H135-E363 IonicContact NE2-OE1 3.33Å; H135-E363 PolarHBondContact NE2-OE1 3.33Å; Y136-E363 PolarHBondContact O-N 2.89Å; V137-E363 HydrophobicContact CB-CB 4.26Å; V137-E363 HydrophobicContact CG2-CB 4.19Å; R208-E363 WeakPolarHBondContact CB-OE2 3.46Å; F209-E363 WeakPolarHBondContact CD2-OE1 3.11Å; F209-E363 PolarHBondContact N-OE2 2.97Å; L212-E363 HydrophobicContact CD2-CG 4.02Å
364	E	90.9	Very high	95.8	Very high	50 Å²	50	23 Å²	23	23%	0.234	13%	0.134	C	C	.	.			trans	-138.9	121.2	173.7	-174	174.3	104.9	0	0	109.6	Y136 I362 G366 A367 K393 R415	Y136-E364 HydrophobicContact CE1-CB 4.19Å; Y136-E364 WeakPolarHBondContact CE1-OE2 3.22Å; Y136-E364 PolarHBondContact OH-OE2 2.78Å; Y136-E364 VanDerWaalsContact OH-OE2 3.04Å; I362-E364 HydrophobicContact CG2-CB 4.41Å; I362-E364 PolarHBondContact O-N 2.98Å; E364-G366 PolarHBondContact O-N 2.85Å; E364-A367 HydrophobicContact CB-CB 3.88Å; E364-A367 HydrophobicContact CG-CB 4.3Å; E364-A367 WeakPolarHBondContact O-CB 3.49Å; E364-A367 PolarHBondContact O-N 3.27Å; E364-A367 VanDerWaalsContact O-N 3.13Å; E364-K393 PolarHBondContact O-NZ 3.19Å; E364-R415 IonicContact OE1-CZ 3.95Å; E364-R415 IonicContact OE1-NH2 2.86Å; E364-R415 PolarHBondContact OE1-NH2 3.26Å
365	E	86.3	Confident	95.9	Very high	127 Å²	127	18.6 Å²	18.6	59%	0.593	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-36.6	-178.1	178	66.6	-174.3	0	0	111.5	A367 R392 K393	E365-A367 VanDerWaalsContact C-N 3.34Å; E365-R392 IonicContact OE1-CZ 3.4Å; E365-R392 IonicContact OE1-NH1 3.56Å; E365-R392 IonicContact OE1-NH2 2.78Å; E365-R392 PolarHBondContact OE1-NH2 2.91Å; E365-K393 VanDerWaalsContact O-CE 3.3Å; E365-K393 WeakPolarHBondContact O-CE 3.49Å
366	G	89.3	Confident	96	Very high	70 Å²	70	17.6 Å²	17.6	72%	0.722	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-15.6	178.4	0	0	0	0	0	114.9	E364	E364-G366 PolarHBondContact O-N 2.85Å
367	A	94.6	Very high	95.9	Very high	1 Å²	1	16 Å²	16	1%	0.008	10%	0.097	C	C	.	.			trans	-75.2	137.3	179.7	0	0	0	0	0	111.3	I362 E364 E365 I369 K393 I412	I362-A367 HydrophobicContact CG2-CB 3.74Å; E364-A367 HydrophobicContact CB-CB 3.88Å; E364-A367 HydrophobicContact CG-CB 4.3Å; E364-A367 WeakPolarHBondContact O-CB 3.49Å; E364-A367 PolarHBondContact O-N 3.27Å; E364-A367 VanDerWaalsContact O-N 3.13Å; E365-A367 VanDerWaalsContact C-N 3.34Å; A367-I369 PolarHBondContact O-N 2.99Å; A367-K393 WeakPolarHBondContact O-CD 3.46Å; A367-K393 VanDerWaalsContact O-CE 3.31Å; A367-K393 WeakPolarHBondContact O-CE 3.42Å; A367-K393 PolarHBondContact O-NZ 3.08Å; A367-I412 HydrophobicContact CB-CD1 3.93Å; A367-I412 HydrophobicContact CB-CG1 3.84Å
368	P	95.3	Very high	95.9	Very high	8 Å²	8	19.6 Å²	19.6	5%	0.052	12%	0.121	C	C	.	.	S	Bend	trans	-66.4	-36.7	178.3	25.6	-33.6	0	0	0	112.8	L397 R408 I409 I412	P368-L397 HydrophobicContact CB-CD1 3.66Å; P368-R408 HydrophobicContact CG-CB 4.04Å; P368-I409 HydrophobicContact CB-CG1 4.28Å; P368-I409 HydrophobicContact CG-CG1 3.91Å; P368-I412 HydrophobicContact CG-CG2 4.05Å
369	I	97	Very high	95.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.144	C	C	.	.			trans	-103.6	137.5	-174.5	-57.4	-64.3	0	0	0	110.5	C342 I362 A367 L371 T372 I389 I409 Y413	C342-I369 HydrophobicContact CB-CD1 4.45Å; I362-I369 WeakPolarHBondContact CB-O 3.3Å; I362-I369 HydrophobicContact CD1-CB 4.43Å; I362-I369 HydrophobicContact CD1-CG2 4.4Å; A367-I369 PolarHBondContact O-N 2.99Å; I369-L371 VanDerWaalsContact CG2-O 3.25Å; I369-L371 WeakPolarHBondContact CG2-O 3.49Å; I369-T372 HydrophobicContact CG2-CG2 3.53Å; I369-I389 HydrophobicContact CD1-CG1 3.55Å; I369-I409 HydrophobicContact CD1-CD1 4.29Å; I369-I409 HydrophobicContact CD1-CG1 4.2Å; I369-I409 HydrophobicContact CG1-CG1 3.95Å; I369-I409 HydrophobicContact CG1-CG2 4.26Å; I369-Y413 HydrophobicContact CB-CE1 4.36Å; I369-Y413 HydrophobicContact CG1-CE1 4.19Å; I369-Y413 HydrophobicContact CG2-CE1 4.41Å
370	G	92.6	Very high	95.6	Very high	4 Å²	4	25.4 Å²	25.4	4%	0.041	16%	0.16	C	C	.	.	S	Bend	trans	-101.6	-31.9	174.1	0	0	0	0	0	114.2	I362 F388	I362-G370 PolarHBondContact N-O 3.47Å; G370-F388 PolarHBondContact N-O 3.09Å
371	L	97.1	Very high	95.5	Very high	14 Å²	14	27.9 Å²	27.9	7%	0.073	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	142.7	179	-173.8	69.8	0	0	0	110.3	V216 M360 V361 I369 L373 G387 F388	V216-L371 HydrophobicContact CG1-CD2 3.6Å; V216-L371 HydrophobicContact CG2-CB 3.89Å; V216-L371 HydrophobicContact CG2-CD2 4.1Å; M360-L371 WeakPolarHBondContact O-CA 3.33Å; V361-L371 HydrophobicContact CG2-CD1 3.9Å; I369-L371 VanDerWaalsContact CG2-O 3.25Å; I369-L371 WeakPolarHBondContact CG2-O 3.49Å; L371-L373 HydrophobicContact CD2-CD1 4.35Å; L371-L373 HydrophobicContact CG-CD1 4.43Å; L371-G387 WeakPolarHBondContact O-CA 3.21Å; L371-F388 PolarHBondContact O-N 3.32Å
372	T	98.7	Very high	95.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	160.7	172.9	54.5	0	0	0	0	112.1	G358 T359 M360 I369 I385 M386 Y413	G358-T372 PolarHBondContact O-OG1 2.9Å; T359-T372 WeakPolarHBondContact CA-O 3.43Å; T359-T372 WeakPolarHBondContact CG2-O 3.14Å; M360-T372 WeakPolarHBondContact CA-OG1 3.13Å; M360-T372 WeakPolarHBondContact CB-OG1 3.33Å; M360-T372 HydrophobicContact CE-CG2 3.54Å; M360-T372 WeakPolarHBondContact CE-OG1 3.04Å; M360-T372 WeakPolarHBondContact CG-OG1 3.14Å; M360-T372 PolarHBondContact N-OG1 3.38Å; M360-T372 PolarHBondContact O-N 3.06Å; M360-T372 PolarHBondContact O-OG1 2.99Å; I369-T372 HydrophobicContact CG2-CG2 3.53Å; T372-I385 HydrophobicContact CG2-CG2 3.87Å; T372-M386 CarbonylContact C-O 3.52Å; T372-M386 WeakPolarHBondContact CA-O 3.39Å; T372-M386 WeakPolarHBondContact CB-O 3.18Å; T372-M386 WeakPolarHBondContact CG2-O 3.15Å; T372-Y413 HydrophobicContact CG2-CE1 3.59Å; T372-Y413 VanDerWaalsContact CG2-OH 3.3Å; T372-Y413 WeakPolarHBondContact CG2-OH 3.39Å
373	L	98.7	Very high	95.6	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	155.3	166.8	-67.2	92.6	0	0	0	109.1	Y105 V127 Q251 L371 M386	Y105-L373 HydrophobicContact CE1-CD2 4.23Å; V127-L373 HydrophobicContact CG1-CB 4.32Å; V127-L373 HydrophobicContact CG1-CD2 3.9Å; Q251-L373 HydrophobicContact CB-CD2 4.15Å; Q251-L373 HydrophobicContact CG-CD2 4.5Å; L371-L373 HydrophobicContact CD2-CD1 4.35Å; L371-L373 HydrophobicContact CG-CD1 4.43Å; L373-M386 HydrophobicContact CB-CE 4.16Å; L373-M386 HydrophobicContact CD1-CE 3.45Å; L373-M386 VanDerWaalsContact CD1-CE 3.45Å; L373-M386 HydrophobicContact CG-CE 4.4Å; L373-M386 PolarHBondContact N-O 2.96Å; L373-M386 PolarHBondContact O-N 2.86Å
374	D	98.7	Very high	95.9	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.027	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	132	169.1	175.9	-77.5	0	0	0	110.7	N128 W351 R352 C357 T376	N128-D374 HydrophobicContact CB-CB 4.03Å; W351-D374 PolarHBondContact NE1-OD2 3.17Å; R352-D374 IonicContact CZ-OD2 3.24Å; R352-D374 IonicContact NE-OD2 3.84Å; R352-D374 PolarHBondContact NE-OD2 3.34Å; R352-D374 IonicContact NH2-OD1 3.75Å; R352-D374 PolarHBondContact NH2-OD1 3.2Å; R352-D374 IonicContact NH2-OD2 2.93Å; R352-D374 PolarHBondContact NH2-OD2 3.43Å; C357-D374 WeakPolarHBondContact O-CB 3.21Å; D374-T376 VanDerWaalsContact OD1-CB 3.23Å; D374-T376 WeakPolarHBondContact OD1-CB 3.25Å; D374-T376 PolarHBondContact OD1-N 3.37Å; D374-T376 VanDerWaalsContact OD1-N 3.08Å; D374-T376 PolarHBondContact OD1-OG1 3.04Å; D374-T376 PolarHBondContact OD2-OG1 3.07Å
375	D	98.7	Very high	96.3	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.011	17%	0.169	C	C	.	.			trans	-117	15.8	179.4	-146	78.4	0	0	0	112.3	K254 A384 M386	K254-D375 IonicContact NZ-OD1 3.26Å; K254-D375 PolarHBondContact NZ-OD1 2.77Å; K254-D375 IonicContact NZ-OD2 3.58Å; K254-D375 PolarHBondContact NZ-OD2 3.49Å; D375-A384 HydrophobicContact CB-CB 3.96Å; D375-A384 PolarHBondContact N-O 3.05Å; D375-M386 HydrophobicContact CB-CB 4.03Å
376	T	98.7	Very high	96.9	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.031	14%	0.14	C	C	.	.			trans	-61.8	142.7	179.7	-55.8	0	0	0	0	109.9	N349 D374 T381 A384	N349-T376 WeakPolarHBondContact OD1-CG2 3.48Å; N349-T376 PolarHBondContact OD1-OG1 3.43Å; D374-T376 VanDerWaalsContact OD1-CB 3.23Å; D374-T376 WeakPolarHBondContact OD1-CB 3.25Å; D374-T376 PolarHBondContact OD1-N 3.37Å; D374-T376 VanDerWaalsContact OD1-N 3.08Å; D374-T376 PolarHBondContact OD1-OG1 3.04Å; D374-T376 PolarHBondContact OD2-OG1 3.07Å; T376-T381 WeakPolarHBondContact CG2-O 3.34Å; T376-A384 PolarHBondContact OG1-N 3.43Å
377	K	98.3	Very high	97.3	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.017	11%	0.106	C	C	.	.			trans	-66.6	151.9	-178.7	-61.5	-63.3	-176.7	-71.7	0	110.9	T96 W98 D379 G380 T381 V382	T96-K377 WeakPolarHBondContact O-CE 3.34Å; T96-K377 PolarHBondContact O-NZ 2.93Å; T96-K377 VanDerWaalsContact O-NZ 3.08Å; W98-K377 HydrophobicContact CD2-CD 4.13Å; W98-K377 HydrophobicContact CE3-CD 4.36Å; W98-K377 HydrophobicContact CH2-CD 3.79Å; W98-K377 HydrophobicContact CZ2-CD 3.53Å; W98-K377 HydrophobicContact CZ3-CD 4.2Å; W98-K377 WeakPolarHBondContact O-CE 3.33Å; W98-K377 PolarHBondContact O-NZ 2.97Å; K377-D379 VanDerWaalsContact CB-OD1 3.25Å; K377-D379 WeakPolarHBondContact CB-OD1 3.49Å; K377-D379 PolarHBondContact O-N 3.46Å; K377-D379 VanDerWaalsContact O-N 3.09Å; K377-G380 WeakPolarHBondContact O-CA 3.48Å; K377-G380 PolarHBondContact O-N 2.95Å; K377-T381 VanDerWaalsContact CB-O 3.28Å; K377-T381 WeakPolarHBondContact CB-O 3.35Å; K377-T381 PolarHBondContact N-O 2.86Å; K377-V382 HydrophobicContact CG-CB 3.96Å; K377-V382 HydrophobicContact CG-CG2 4.38Å
378	P	96.4	Very high	97.5	Very high	76 Å²	76	17.1 Å²	17.1	49%	0.494	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.9	-175.4	23.5	-34.4	0	0	0	114	Y125 G380	Y125-P378 HydrophobicContact CD1-CB 4.49Å; Y125-P378 HydrophobicContact CD1-CG 4.14Å; Y125-P378 HydrophobicContact CD2-CB 3.97Å; Y125-P378 HydrophobicContact CD2-CG 4.29Å; Y125-P378 HydrophobicContact CE1-CG 4.47Å; Y125-P378 HydrophobicContact CG-CB 3.9Å; Y125-P378 HydrophobicContact CG-CG 4.04Å; P378-G380 PolarHBondContact O-N 3.07Å
379	D	96.1	Very high	97.6	Very high	94 Å²	94	16.8 Å²	16.8	50%	0.503	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	5.5	172.4	63.6	0.9	0	0	0	113.2	K97 K377 T381	K97-D379 IonicContact NZ-OD1 2.68Å; K97-D379 IonicContact NZ-OD2 2.62Å; K97-D379 PolarHBondContact NZ-OD2 2.87Å; K377-D379 VanDerWaalsContact CB-OD1 3.25Å; K377-D379 WeakPolarHBondContact CB-OD1 3.49Å; K377-D379 PolarHBondContact O-N 3.46Å; K377-D379 VanDerWaalsContact O-N 3.09Å; D379-T381 PolarHBondContact O-N 3.05Å; D379-T381 WeakPolarHBondContact OD1-CB 3.43Å; D379-T381 PolarHBondContact OD1-N 3.23Å; D379-T381 PolarHBondContact OD1-OG1 3.07Å; D379-T381 PolarHBondContact OD2-OG1 2.58Å
380	G	95.1	Very high	97.6	Very high	36 Å²	36	17.1 Å²	17.1	37%	0.371	11%	0.108	S	C	.	.	S	Bend	trans	79	-3.3	-177.8	0	0	0	0	0	114.6	N349 K377 P378	N349-G380 PolarHBondContact ND2-O 3.39Å; K377-G380 WeakPolarHBondContact O-CA 3.48Å; K377-G380 PolarHBondContact O-N 2.95Å; P378-G380 PolarHBondContact O-N 3.07Å
381	T	96.3	Very high	97.9	Very high	54 Å²	54	17 Å²	17	33%	0.331	11%	0.106	S	C	.	.			trans	-84.9	167.5	-179.9	70.9	0	0	0	0	112	K97 T376 K377 D379	K97-T381 PolarHBondContact NZ-OG1 2.93Å; T376-T381 WeakPolarHBondContact CG2-O 3.34Å; K377-T381 VanDerWaalsContact CB-O 3.28Å; K377-T381 WeakPolarHBondContact CB-O 3.35Å; K377-T381 PolarHBondContact N-O 2.86Å; D379-T381 PolarHBondContact O-N 3.05Å; D379-T381 WeakPolarHBondContact OD1-CB 3.43Å; D379-T381 PolarHBondContact OD1-N 3.23Å; D379-T381 PolarHBondContact OD1-OG1 3.07Å; D379-T381 PolarHBondContact OD2-OG1 2.58Å
382	V	97.9	Very high	97.8	Very high	29 Å²	29	20.9 Å²	20.9	18%	0.176	12%	0.12	C	C	.	.	S	Bend	trans	51.3	64.1	178.4	-170.4	0	0	0	0	111.4	E95 K97 Y345 K377 A384	E95-V382 WeakPolarHBondContact O-CG1 3.3Å; K97-V382 HydrophobicContact CD-CG2 4.15Å; K97-V382 HydrophobicContact CG-CG2 4.15Å; Y345-V382 HydrophobicContact CD1-CG1 3.5Å; Y345-V382 HydrophobicContact CE1-CG1 3.6Å; K377-V382 HydrophobicContact CG-CB 3.96Å; K377-V382 HydrophobicContact CG-CG2 4.38Å; V382-A384 PolarHBondContact O-N 2.76Å
383	P	98.5	Very high	97.8	Very high	10 Å²	10	22.7 Å²	22.7	7%	0.065	13%	0.128	C	C	.	.			trans	-54.8	128.2	176.6	-25.5	35.9	0	0	0	111.6	Y345 Y346 N349 W351	Y345-P383 CarbonylContact C-O 3.59Å; Y345-P383 WeakPolarHBondContact CA-O 3.49Å; Y346-P383 PolarHBondContact N-O 3.2Å; Y346-P383 WeakPolarHBondContact O-CD 3.33Å; N349-P383 WeakPolarHBondContact OD1-CB 3.35Å; W351-P383 HydrophobicContact CH2-CB 3.89Å; W351-P383 HydrophobicContact CZ2-CB 4.37Å
384	A	98.8	Very high	97.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	147.3	-178.9	0	0	0	0	0	112.9	V344 Y345 D375 T376 V382	V344-A384 CarbonylContact O-C 3.49Å; V344-A384 VanDerWaalsContact O-CA 3.25Å; V344-A384 WeakPolarHBondContact O-CA 3.28Å; Y345-A384 HydrophobicContact CD1-CB 3.62Å; Y345-A384 HydrophobicContact CE1-CB 3.71Å; Y345-A384 HydrophobicContact CG-CB 4.23Å; D375-A384 HydrophobicContact CB-CB 3.96Å; D375-A384 PolarHBondContact N-O 3.05Å; T376-A384 PolarHBondContact OG1-N 3.43Å; V382-A384 PolarHBondContact O-N 2.76Å
385	I	98.9	Very high	97.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.2	168.9	-59.8	179.1	0	0	0	108	V344 Y346 W351 M360 T372 Y413 L417	V344-I385 PolarHBondContact N-O 3.09Å; V344-I385 PolarHBondContact O-N 3.25Å; Y346-I385 HydrophobicContact CE2-CD1 4.2Å; Y346-I385 HydrophobicContact CE2-CG1 4.34Å; W351-I385 HydrophobicContact CD2-CD1 4.02Å; W351-I385 HydrophobicContact CD2-CG1 4.18Å; W351-I385 HydrophobicContact CE3-CD1 3.69Å; W351-I385 HydrophobicContact CE3-CG1 4.01Å; W351-I385 HydrophobicContact CH2-CD1 4.3Å; W351-I385 HydrophobicContact CH2-CG1 3.72Å; W351-I385 HydrophobicContact CZ2-CG1 3.87Å; W351-I385 HydrophobicContact CZ3-CD1 3.85Å; W351-I385 HydrophobicContact CZ3-CG1 3.8Å; M360-I385 HydrophobicContact CE-CD1 4.25Å; M360-I385 HydrophobicContact CE-CG2 3.9Å; T372-I385 HydrophobicContact CG2-CG2 3.87Å; I385-Y413 HydrophobicContact CB-CE2 3.99Å; I385-Y413 HydrophobicContact CD1-CD2 4.29Å; I385-Y413 HydrophobicContact CG2-CD2 4.43Å; I385-Y413 HydrophobicContact CG2-CE2 3.7Å; I385-L417 HydrophobicContact CD1-CD1 3.92Å
386	M	98.7	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	133.5	169	-175.9	-69.7	-63.4	0	0	108.6	Y105 K341 C342 M343 T372 L373 D375 F388	Y105-M386 HydrophobicContact CE2-CE 4.07Å; Y105-M386 WeakPolarHBondContact OH-CE 2.91Å; K341-M386 HydrophobicContact CG-CG 4.23Å; K341-M386 HydrophobicContact CG-SD 4.08Å; C342-M386 CarbonylContact O-C 3.53Å; C342-M386 WeakPolarHBondContact O-CA 3.49Å; M343-M386 HydrophobicContact CG-CB 4.4Å; M343-M386 HydrophobicContact CG-CG 4.38Å; M343-M386 HydrophobicContact SD-CG 3.95Å; T372-M386 CarbonylContact C-O 3.52Å; T372-M386 WeakPolarHBondContact CA-O 3.39Å; T372-M386 WeakPolarHBondContact CB-O 3.18Å; T372-M386 WeakPolarHBondContact CG2-O 3.15Å; L373-M386 HydrophobicContact CB-CE 4.16Å; L373-M386 HydrophobicContact CD1-CE 3.45Å; L373-M386 VanDerWaalsContact CD1-CE 3.45Å; L373-M386 HydrophobicContact CG-CE 4.4Å; L373-M386 PolarHBondContact N-O 2.96Å; L373-M386 PolarHBondContact O-N 2.86Å; D375-M386 HydrophobicContact CB-CB 4.03Å; M386-F388 HydrophobicContact CE-CD2 3.79Å; M386-F388 HydrophobicContact CE-CE2 3.26Å; M386-F388 HydrophobicContact CE-CZ 3.71Å; M386-F388 HydrophobicContact SD-CD1 4.09Å; M386-F388 HydrophobicContact SD-CD2 3.83Å; M386-F388 HydrophobicContact SD-CE1 3.89Å; M386-F388 HydrophobicContact SD-CE2 3.6Å; M386-F388 VanDerWaalsContact SD-CE2 3.6Å; M386-F388 HydrophobicContact SD-CG 4.08Å; M386-F388 HydrophobicContact SD-CZ 3.63Å
387	G	98.4	Very high	97.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	152.1	171.7	0	0	0	0	0	112.6	C342 L371	C342-G387 PolarHBondContact N-O 3.24Å; C342-G387 PolarHBondContact O-N 2.92Å; L371-G387 WeakPolarHBondContact O-CA 3.21Å
388	F	97.8	Very high	97.2	Very high	14 Å²	14	34.4 Å²	34.4	6%	0.061	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.3	174.2	-64.6	-67.1	0	0	0	112.3	Y105 V339 K341 G370 L371 M386 L390 Y443	Y105-F388 HydrophobicContact CE2-CZ 4.36Å; V339-F388 HydrophobicContact CG2-CB 4.19Å; V339-F388 HydrophobicContact CG2-CD1 3.6Å; V339-F388 HydrophobicContact CG2-CE1 4.38Å; V339-F388 HydrophobicContact CG2-CG 4.27Å; K341-F388 HydrophobicContact CB-CD1 4.15Å; K341-F388 HydrophobicContact CB-CE1 4.05Å; K341-F388 HydrophobicContact CD-CE1 3.79Å; K341-F388 HydrophobicContact CD-CZ 4.42Å; K341-F388 HydrophobicContact CG-CD1 3.9Å; K341-F388 HydrophobicContact CG-CE1 3.52Å; K341-F388 HydrophobicContact CG-CZ 4.42Å; G370-F388 PolarHBondContact N-O 3.09Å; L371-F388 PolarHBondContact O-N 3.32Å; M386-F388 HydrophobicContact CE-CD2 3.79Å; M386-F388 HydrophobicContact CE-CE2 3.26Å; M386-F388 HydrophobicContact CE-CZ 3.71Å; M386-F388 HydrophobicContact SD-CD1 4.09Å; M386-F388 HydrophobicContact SD-CD2 3.83Å; M386-F388 HydrophobicContact SD-CE1 3.89Å; M386-F388 HydrophobicContact SD-CE2 3.6Å; M386-F388 VanDerWaalsContact SD-CE2 3.6Å; M386-F388 HydrophobicContact SD-CG 4.08Å; M386-F388 HydrophobicContact SD-CZ 3.63Å; F388-L390 HydrophobicContact CB-CD1 4.31Å; F388-L390 HydrophobicContact CB-CD2 3.57Å; F388-L390 HydrophobicContact CB-CG 3.76Å; F388-L390 HydrophobicContact CG-CD2 4.25Å; F388-Y443 HydrophobicContact CE1-CE1 4.04Å; F388-Y443 HydrophobicContact CZ-CE1 4.2Å
389	I	98.1	Very high	97.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	113.2	160.7	-52.3	177.1	0	0	0	106.9	V339 I340 I369 K393 C394 L397 I409	V339-I389 WeakPolarHBondContact CA-O 3.5Å; I340-I389 HydrophobicContact CB-CB 4.08Å; I340-I389 HydrophobicContact CB-CD1 4.24Å; I340-I389 HydrophobicContact CB-CG1 4.42Å; I340-I389 HydrophobicContact CD1-CD1 4.34Å; I340-I389 HydrophobicContact CG1-CB 4.48Å; I340-I389 PolarHBondContact N-O 3.34Å; I340-I389 PolarHBondContact O-N 3.08Å; I369-I389 HydrophobicContact CD1-CG1 3.55Å; I389-K393 HydrophobicContact CG2-CB 3.9Å; I389-C394 HydrophobicContact CG2-CB 4.35Å; I389-L397 HydrophobicContact CD1-CD1 4.42Å; I389-L397 HydrophobicContact CG2-CB 4.49Å; I389-L397 HydrophobicContact CG2-CD1 3.88Å; I389-I409 HydrophobicContact CD1-CD1 4.48Å
390	L	97.6	Very high	97.1	Very high	8 Å²	8	36 Å²	36	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	151	-165.2	-60.9	164.1	0	0	0	112.8	N215 V216 T219 V339 F388 R392 K393 C394	N215-L390 HydrophobicContact CB-CB 4.22Å; N215-L390 HydrophobicContact CB-CD1 4.24Å; V216-L390 HydrophobicContact CB-CD1 4.36Å; V216-L390 HydrophobicContact CG2-CD1 3.65Å; T219-L390 HydrophobicContact CG2-CD2 3.82Å; V339-L390 HydrophobicContact CG2-CD2 3.97Å; F388-L390 HydrophobicContact CB-CD1 4.31Å; F388-L390 HydrophobicContact CB-CD2 3.57Å; F388-L390 HydrophobicContact CB-CG 3.76Å; F388-L390 HydrophobicContact CG-CD2 4.25Å; L390-R392 PolarHBondContact O-N 3.45Å; L390-K393 WeakPolarHBondContact O-CA 3.42Å; L390-K393 VanDerWaalsContact O-CB 3.32Å; L390-K393 WeakPolarHBondContact O-CB 3.38Å; L390-K393 PolarHBondContact O-N 3.35Å; L390-C394 PolarHBondContact O-N 2.96Å
391	A	97.4	Very high	97.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	50.3	-124.5	163.7	0	0	0	0	0	113.6	T219 E221 C338 K393 C394 R395	T219-A391 WeakPolarHBondContact O-CA 3.42Å; E221-A391 HydrophobicContact CG-CB 4.24Å; E221-A391 VanDerWaalsContact OE1-CB 3.25Å; E221-A391 WeakPolarHBondContact OE1-CB 3.39Å; C338-A391 PolarHBondContact O-N 2.65Å; A391-K393 PolarHBondContact O-N 3.45Å; A391-C394 VanDerWaalsContact O-CB 3.32Å; A391-C394 WeakPolarHBondContact O-CB 3.46Å; A391-C394 PolarHBondContact O-N 3.45Å; A391-C394 VanDerWaalsContact O-N 3.11Å; A391-R395 PolarHBondContact O-N 2.82Å
392	R	96.9	Very high	97.3	Very high	96 Å²	96	37.8 Å²	37.8	36%	0.362	19%	0.185	S	C	.	.	H	α-helix	trans	-61.7	-31.5	179.2	-178.2	176.5	134.4	-140	-13.5	112.7	E221 E365 L390 C394 R395 K396	E221-R392 HydrophobicContact CG-CB 4.02Å; E221-R392 WeakPolarHBondContact OE1-CB 3.18Å; E221-R392 PolarHBondContact OE1-N 3.02Å; E365-R392 IonicContact OE1-CZ 3.4Å; E365-R392 IonicContact OE1-NH1 3.56Å; E365-R392 IonicContact OE1-NH2 2.78Å; E365-R392 PolarHBondContact OE1-NH2 2.91Å; L390-R392 PolarHBondContact O-N 3.45Å; R392-C394 VanDerWaalsContact C-N 3.32Å; R392-R395 PolarHBondContact O-N 3.11Å; R392-K396 HydrophobicContact CG-CD 4.38Å; R392-K396 HydrophobicContact CG-CG 4.47Å; R392-K396 VanDerWaalsContact NE-CE 3.34Å; R392-K396 WeakPolarHBondContact O-CG 3.36Å; R392-K396 PolarHBondContact O-N 2.96Å
393	K	97	Very high	97.3	Very high	39 Å²	39	42.5 Å²	42.5	17%	0.17	21%	0.205	C	C	.	.	H	α-helix	trans	-65.3	-37.9	176	-63.8	-178.3	174	-173.5	0	111	E364 E365 A367 I389 L390 A391 R395 K396 L397	E364-K393 PolarHBondContact O-NZ 3.19Å; E365-K393 VanDerWaalsContact O-CE 3.3Å; E365-K393 WeakPolarHBondContact O-CE 3.49Å; A367-K393 WeakPolarHBondContact O-CD 3.46Å; A367-K393 VanDerWaalsContact O-CE 3.31Å; A367-K393 WeakPolarHBondContact O-CE 3.42Å; A367-K393 PolarHBondContact O-NZ 3.08Å; I389-K393 HydrophobicContact CG2-CB 3.9Å; L390-K393 WeakPolarHBondContact O-CA 3.42Å; L390-K393 VanDerWaalsContact O-CB 3.32Å; L390-K393 WeakPolarHBondContact O-CB 3.38Å; L390-K393 PolarHBondContact O-N 3.35Å; A391-K393 PolarHBondContact O-N 3.45Å; K393-R395 PolarHBondContact O-N 3.35Å; K393-K396 PolarHBondContact O-N 3.43Å; K393-L397 WeakPolarHBondContact O-CB 3.5Å; K393-L397 VanDerWaalsContact O-CG 3.3Å; K393-L397 WeakPolarHBondContact O-CG 3.43Å; K393-L397 PolarHBondContact O-N 3.21Å
394	C	97.2	Very high	97.3	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-58.4	-48.8	174.8	172.2	0	0	0	0	110.7	C338 I340 I389 L390 A391 R392 K396 L397 A398 C434	C338-C394 HydrophobicContact CB-CB 4Å; I340-C394 HydrophobicContact CG1-CB 4.44Å; I340-C394 VanDerWaalsContact CG1-SG 3.58Å; I389-C394 HydrophobicContact CG2-CB 4.35Å; L390-C394 PolarHBondContact O-N 2.96Å; A391-C394 VanDerWaalsContact O-CB 3.32Å; A391-C394 WeakPolarHBondContact O-CB 3.46Å; A391-C394 PolarHBondContact O-N 3.45Å; A391-C394 VanDerWaalsContact O-N 3.11Å; R392-C394 VanDerWaalsContact C-N 3.32Å; C394-K396 PolarHBondContact O-N 2.81Å; C394-L397 PolarHBondContact O-N 3.34Å; C394-A398 WeakPolarHBondContact O-CB 3.4Å; C394-A398 PolarHBondContact O-N 3.44Å; C394-C434 PolarHBondContact SG-SG 3.35Å
395	R	96.1	Very high	97.3	Very high	96 Å²	96	45.2 Å²	45.2	36%	0.362	22%	0.216	S	C	.	.	H	α-helix	trans	-63.1	-42.2	179.5	-61.7	-174	-68.4	-102.6	13.8	112.4	E224 C338 A391 R392 K393 L397	E224-R395 IonicContact OE1-CZ 3.94Å; E224-R395 IonicContact OE1-NH1 3.28Å; E224-R395 PolarHBondContact OE1-NH1 3.25Å; E224-R395 IonicContact OE1-NH2 3.17Å; E224-R395 PolarHBondContact OE1-NH2 2.8Å; E224-R395 IonicContact OE2-NH1 2.78Å; E224-R395 IonicContact OE2-NH2 2.71Å; C338-R395 HydrophobicContact CB-CG 4.41Å; A391-R395 PolarHBondContact O-N 2.82Å; R392-R395 PolarHBondContact O-N 3.11Å; K393-R395 PolarHBondContact O-N 3.35Å; R395-L397 VanDerWaalsContact C-N 3.35Å; R395-L397 PolarHBondContact O-N 3.4Å
396	K	96.4	Very high	97.3	Very high	123 Å²	123	46.8 Å²	46.8	54%	0.535	23%	0.225	S	C	.	.	H	α-helix	trans	-68.3	-30.3	179.7	-77	-175.6	171.4	-173.2	0	114.4	R392 K393 C394	R392-K396 HydrophobicContact CG-CD 4.38Å; R392-K396 HydrophobicContact CG-CG 4.47Å; R392-K396 VanDerWaalsContact NE-CE 3.34Å; R392-K396 WeakPolarHBondContact O-CG 3.36Å; R392-K396 PolarHBondContact O-N 2.96Å; K393-K396 PolarHBondContact O-N 3.43Å; C394-K396 PolarHBondContact O-N 2.81Å
397	L	96.8	Very high	97.3	Very high	21 Å²	21	52.1 Å²	52.1	11%	0.11	25%	0.245	C	C	.	.	H	α-helix	trans	-104.4	0.2	-173.7	-58.9	175.5	0	0	0	112.6	P368 I389 K393 C394 R395 L400 R405	P368-L397 HydrophobicContact CB-CD1 3.66Å; I389-L397 HydrophobicContact CD1-CD1 4.42Å; I389-L397 HydrophobicContact CG2-CB 4.49Å; I389-L397 HydrophobicContact CG2-CD1 3.88Å; K393-L397 WeakPolarHBondContact O-CB 3.5Å; K393-L397 VanDerWaalsContact O-CG 3.3Å; K393-L397 WeakPolarHBondContact O-CG 3.43Å; K393-L397 PolarHBondContact O-N 3.21Å; C394-L397 PolarHBondContact O-N 3.34Å; R395-L397 VanDerWaalsContact C-N 3.35Å; R395-L397 PolarHBondContact O-N 3.4Å; L397-L400 HydrophobicContact CB-CD1 4.29Å; L397-L400 HydrophobicContact CD2-CD1 3.46Å; L397-L400 VanDerWaalsContact CD2-CD1 3.46Å; L397-L400 HydrophobicContact CD2-CG 4.47Å; L397-L400 HydrophobicContact CG-CD1 4.46Å; L397-L400 PolarHBondContact O-N 2.89Å; L397-R405 PolarHBondContact O-NH1 2.88Å
398	A	94.2	Very high	97.3	Very high	25 Å²	25	56.6 Å²	56.6	21%	0.207	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-41.3	178.8	0	0	0	0	0	112	C394 L400 R405	C394-A398 WeakPolarHBondContact O-CB 3.4Å; C394-A398 PolarHBondContact O-N 3.44Å; A398-L400 PolarHBondContact O-N 3.42Å; A398-R405 PolarHBondContact O-NH1 2.96Å
399	D	94.1	Very high	97.4	Very high	156 Å²	156	56 Å²	56	83%	0.834	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-8.2	-176.7	-59.7	-29.8	0	0	0	114
400	L	97.3	Very high	97.4	Very high	47 Å²	47	56.2 Å²	56.2	25%	0.246	26%	0.261	C	S	.	.	S	Bend	trans	-71.7	156.6	174.1	-59.4	-177.6	0	0	0	110.3	L397 A398 E404 R405	L397-L400 HydrophobicContact CB-CD1 4.29Å; L397-L400 HydrophobicContact CD2-CD1 3.46Å; L397-L400 VanDerWaalsContact CD2-CD1 3.46Å; L397-L400 HydrophobicContact CD2-CG 4.47Å; L397-L400 HydrophobicContact CG-CD1 4.46Å; L397-L400 PolarHBondContact O-N 2.89Å; A398-L400 PolarHBondContact O-N 3.42Å; L400-E404 HydrophobicContact CB-CB 4.4Å; L400-E404 HydrophobicContact CB-CG 4.2Å; L400-E404 HydrophobicContact CD1-CG 4.07Å; L400-E404 HydrophobicContact CD2-CG 4.26Å; L400-E404 HydrophobicContact CG-CG 4.41Å; L400-R405 HydrophobicContact CB-CG 4.14Å; L400-R405 PolarHBondContact O-NH1 2.98Å; L400-R405 PolarHBondContact O-NH2 3.32Å
401	S	98	Very high	97.4	Very high	58 Å²	58	59.1 Å²	59.1	41%	0.406	27%	0.274	S	S	.	.			trans	-69.5	159	170	86.5	0	0	0	0	110.8	E403 E404 R405	S401-E403 VanDerWaalsContact CB-OE2 3.27Å; S401-E403 WeakPolarHBondContact CB-OE2 3.49Å; S401-E403 PolarHBondContact O-N 2.83Å; S401-E403 PolarHBondContact OG-N 3.44Å; S401-E403 PolarHBondContact OG-OE2 3.36Å; S401-E404 PolarHBondContact O-N 2.87Å; S401-E404 PolarHBondContact OG-N 3.27Å; S401-E404 VanDerWaalsContact OG-N 3.16Å; S401-R405 PolarHBondContact O-N 3.11Å
402	K	97.6	Very high	97.5	Very high	71 Å²	71	59.2 Å²	59.2	31%	0.309	27%	0.274	S	S	.	.	H	α-helix	trans	-56	-38.8	175.1	-178.8	174.6	176.7	-176.9	0	111.2	L406 Y428 E429 E430	K402-L406 WeakPolarHBondContact O-CB 3.36Å; K402-L406 PolarHBondContact O-N 3.27Å; K402-Y428 HydrophobicContact CD-CD1 4.19Å; K402-Y428 HydrophobicContact CD-CE1 4.34Å; K402-Y428 WeakPolarHBondContact CE-O 3.41Å; K402-Y428 HydrophobicContact CG-CD1 3.69Å; K402-Y428 HydrophobicContact CG-CE1 3.55Å; K402-Y428 PolarHBondContact NZ-O 2.74Å; K402-E429 IonicContact NZ-OE2 3.78Å; K402-E430 HydrophobicContact CD-CG 4.25Å; K402-E430 HydrophobicContact CG-CG 4.17Å; K402-E430 WeakPolarHBondContact CG-OE1 3.47Å
403	E	98.3	Very high	97.6	Very high	128 Å²	128	54.6 Å²	54.6	60%	0.598	26%	0.257	S	S	*	.	H	α-helix	trans	-68.6	-41.8	179.7	-58.4	68.2	-145.2	0	0	111.6	S401 L406 R407	S401-E403 VanDerWaalsContact CB-OE2 3.27Å; S401-E403 WeakPolarHBondContact CB-OE2 3.49Å; S401-E403 PolarHBondContact O-N 2.83Å; S401-E403 PolarHBondContact OG-N 3.44Å; S401-E403 PolarHBondContact OG-OE2 3.36Å; E403-L406 WeakPolarHBondContact O-CB 3.27Å; E403-L406 PolarHBondContact O-N 2.88Å; E403-R407 WeakPolarHBondContact O-CB 3.49Å; E403-R407 PolarHBondContact O-N 3.48Å
404	E	98.3	Very high	97.6	Very high	47 Å²	47	53.7 Å²	53.7	22%	0.22	26%	0.256	C	S	.	.	H	α-helix	trans	-69.6	-37.8	178	174.4	60.8	-172.9	0	0	111.5	L400 S401 R407 R408	L400-E404 HydrophobicContact CB-CB 4.4Å; L400-E404 HydrophobicContact CB-CG 4.2Å; L400-E404 HydrophobicContact CD1-CG 4.07Å; L400-E404 HydrophobicContact CD2-CG 4.26Å; L400-E404 HydrophobicContact CG-CG 4.41Å; S401-E404 PolarHBondContact O-N 2.87Å; S401-E404 PolarHBondContact OG-N 3.27Å; S401-E404 VanDerWaalsContact OG-N 3.16Å; E404-R407 VanDerWaalsContact CD-NH2 3.25Å; E404-R407 PolarHBondContact O-N 2.67Å; E404-R407 IonicContact OE1-CZ 2.93Å; E404-R407 IonicContact OE1-NE 2.89Å; E404-R407 IonicContact OE1-NH2 2.6Å; E404-R407 PolarHBondContact OE1-NH2 3.11Å; E404-R407 IonicContact OE2-CZ 2.79Å; E404-R407 IonicContact OE2-NE 3.56Å; E404-R407 PolarHBondContact OE2-NE 2.77Å; E404-R407 IonicContact OE2-NH2 2.92Å; E404-R407 PolarHBondContact OE2-NH2 3.49Å; E404-R408 WeakPolarHBondContact O-CG 3.3Å; E404-R408 PolarHBondContact O-N 2.92Å; E404-R408 IonicContact OE1-CZ 3.36Å; E404-R408 VanDerWaalsContact OE1-CZ 3.27Å; E404-R408 IonicContact OE1-NE 3.54Å; E404-R408 PolarHBondContact OE1-NE 3.05Å; E404-R408 IonicContact OE1-NH2 2.88Å; E404-R408 PolarHBondContact OE1-NH2 2.99Å
405	R	98.4	Very high	97.7	Very high	19 Å²	19	59.6 Å²	59.6	7%	0.072	28%	0.278	C	S	.	.	H	α-helix	trans	-59.4	-50.2	169.5	-78.5	-168.5	-74.2	-85.2	-5	110.9	L397 A398 L400 S401 R407 R408 I409 E430	L397-R405 PolarHBondContact O-NH1 2.88Å; A398-R405 PolarHBondContact O-NH1 2.96Å; L400-R405 HydrophobicContact CB-CG 4.14Å; L400-R405 PolarHBondContact O-NH1 2.98Å; L400-R405 PolarHBondContact O-NH2 3.32Å; S401-R405 PolarHBondContact O-N 3.11Å; R405-R407 PolarHBondContact O-N 3.11Å; R405-R408 PolarHBondContact O-N 2.99Å; R405-I409 WeakPolarHBondContact O-CD1 3.31Å; R405-I409 WeakPolarHBondContact O-CG1 3.24Å; R405-I409 PolarHBondContact O-N 3.38Å; R405-E430 IonicContact CZ-OE1 2.59Å; R405-E430 VanDerWaalsContact CZ-OE1 3.23Å; R405-E430 IonicContact CZ-OE2 3.35Å; R405-E430 IonicContact NE-OE1 3.54Å; R405-E430 PolarHBondContact NE-OE1 3.34Å; R405-E430 IonicContact NE-OE2 2.74Å; R405-E430 PolarHBondContact NE-OE2 3.41Å; R405-E430 IonicContact NH2-OE1 3.67Å; R405-E430 PolarHBondContact NH2-OE1 2.88Å
406	L	98.7	Very high	97.8	Very high	34 Å²	34	55 Å²	55	18%	0.178	26%	0.261	C	S	.	.	H	α-helix	trans	-55.8	-48.5	177.7	175.7	59	0	0	0	111.7	V344 K402 E403 R408 I409 C410 P425 Y428	V344-L406 HydrophobicContact CG1-CD1 4.04Å; V344-L406 HydrophobicContact CG2-CD1 4.05Å; K402-L406 WeakPolarHBondContact O-CB 3.36Å; K402-L406 PolarHBondContact O-N 3.27Å; E403-L406 WeakPolarHBondContact O-CB 3.27Å; E403-L406 PolarHBondContact O-N 2.88Å; L406-R408 VanDerWaalsContact C-N 3.34Å; L406-R408 PolarHBondContact O-N 3.29Å; L406-I409 WeakPolarHBondContact O-CB 3.43Å; L406-I409 PolarHBondContact O-N 3.46Å; L406-I409 VanDerWaalsContact O-N 3.13Å; L406-C410 VanDerWaalsContact CD1-SG 3.57Å; L406-C410 PolarHBondContact O-N 2.91Å; L406-C410 PolarHBondContact O-SG 2.56Å; L406-C410 VanDerWaalsContact O-SG 3.35Å; L406-P425 HydrophobicContact CD1-CG 4.2Å; L406-P425 HydrophobicContact CD2-CG 4.23Å; L406-P425 HydrophobicContact CG-CG 4.47Å; L406-Y428 HydrophobicContact CB-CD1 3.78Å; L406-Y428 HydrophobicContact CB-CE1 3.89Å; L406-Y428 HydrophobicContact CB-CG 4.22Å; L406-Y428 HydrophobicContact CD1-CD1 4.14Å; L406-Y428 HydrophobicContact CD1-CD2 3.68Å; L406-Y428 HydrophobicContact CD1-CE2 4.17Å; L406-Y428 HydrophobicContact CD1-CG 3.69Å; L406-Y428 HydrophobicContact CD2-CD1 4.03Å; L406-Y428 HydrophobicContact CD2-CG 3.97Å; L406-Y428 HydrophobicContact CG-CD1 4.2Å; L406-Y428 HydrophobicContact CG-CG 4.17Å
407	R	98.7	Very high	97.9	Very high	112 Å²	112	49.2 Å²	49.2	42%	0.423	24%	0.235	S	C	.	.	H	α-helix	trans	-54.6	-50.1	179.2	-173.6	-173.8	65.9	82.6	0.1	111.3	E403 E404 R405 I409 C410 E411	E403-R407 WeakPolarHBondContact O-CB 3.49Å; E403-R407 PolarHBondContact O-N 3.48Å; E404-R407 VanDerWaalsContact CD-NH2 3.25Å; E404-R407 PolarHBondContact O-N 2.67Å; E404-R407 IonicContact OE1-CZ 2.93Å; E404-R407 IonicContact OE1-NE 2.89Å; E404-R407 IonicContact OE1-NH2 2.6Å; E404-R407 PolarHBondContact OE1-NH2 3.11Å; E404-R407 IonicContact OE2-CZ 2.79Å; E404-R407 IonicContact OE2-NE 3.56Å; E404-R407 PolarHBondContact OE2-NE 2.77Å; E404-R407 IonicContact OE2-NH2 2.92Å; E404-R407 PolarHBondContact OE2-NH2 3.49Å; R405-R407 PolarHBondContact O-N 3.11Å; R407-I409 VanDerWaalsContact C-N 3.32Å; R407-I409 PolarHBondContact O-N 3.21Å; R407-C410 PolarHBondContact O-N 3.16Å; R407-E411 IonicContact CZ-OE1 3.93Å; R407-E411 IonicContact NH1-OE1 3.27Å; R407-E411 PolarHBondContact NH1-OE1 3.06Å; R407-E411 IonicContact NH1-OE2 2.77Å; R407-E411 PolarHBondContact NH1-OE2 3.21Å; R407-E411 WeakPolarHBondContact O-CG 3.47Å; R407-E411 PolarHBondContact O-N 3.3Å
408	R	98.5	Very high	97.9	Very high	94 Å²	94	50.5 Å²	50.5	36%	0.355	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-35.7	179	-67	-176.2	-172	-155	3	112.9	P368 E404 R405 L406 I412	P368-R408 HydrophobicContact CG-CB 4.04Å; E404-R408 WeakPolarHBondContact O-CG 3.3Å; E404-R408 PolarHBondContact O-N 2.92Å; E404-R408 IonicContact OE1-CZ 3.36Å; E404-R408 VanDerWaalsContact OE1-CZ 3.27Å; E404-R408 IonicContact OE1-NE 3.54Å; E404-R408 PolarHBondContact OE1-NE 3.05Å; E404-R408 IonicContact OE1-NH2 2.88Å; E404-R408 PolarHBondContact OE1-NH2 2.99Å; R405-R408 PolarHBondContact O-N 2.99Å; L406-R408 VanDerWaalsContact C-N 3.34Å; L406-R408 PolarHBondContact O-N 3.29Å; R408-I412 WeakPolarHBondContact O-CG2 3.29Å; R408-I412 PolarHBondContact O-N 3.43Å; R408-I412 VanDerWaalsContact O-N 3.17Å
409	I	98.8	Very high	98.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.3	-48.8	175.8	-68	165	0	0	0	110.1	C342 V344 P368 I369 I389 R405 L406 R407 E411 I412 Y413 Y428	C342-I409 HydrophobicContact CB-CD1 3.87Å; V344-I409 HydrophobicContact CG2-CG2 3.73Å; P368-I409 HydrophobicContact CB-CG1 4.28Å; P368-I409 HydrophobicContact CG-CG1 3.91Å; I369-I409 HydrophobicContact CD1-CD1 4.29Å; I369-I409 HydrophobicContact CD1-CG1 4.2Å; I369-I409 HydrophobicContact CG1-CG1 3.95Å; I369-I409 HydrophobicContact CG1-CG2 4.26Å; I389-I409 HydrophobicContact CD1-CD1 4.48Å; R405-I409 WeakPolarHBondContact O-CD1 3.31Å; R405-I409 WeakPolarHBondContact O-CG1 3.24Å; R405-I409 PolarHBondContact O-N 3.38Å; L406-I409 WeakPolarHBondContact O-CB 3.43Å; L406-I409 PolarHBondContact O-N 3.46Å; L406-I409 VanDerWaalsContact O-N 3.13Å; R407-I409 VanDerWaalsContact C-N 3.32Å; R407-I409 PolarHBondContact O-N 3.21Å; I409-E411 VanDerWaalsContact C-N 3.32Å; I409-E411 PolarHBondContact O-N 3.37Å; I409-I412 WeakPolarHBondContact O-CG2 3.42Å; I409-I412 PolarHBondContact O-N 3.47Å; I409-Y413 HydrophobicContact CG2-CD1 4.31Å; I409-Y413 HydrophobicContact CG2-CD2 3.86Å; I409-Y413 HydrophobicContact CG2-CE1 3.86Å; I409-Y413 HydrophobicContact CG2-CE2 3.37Å; I409-Y413 HydrophobicContact CG2-CG 4.31Å; I409-Y413 WeakPolarHBondContact O-CB 3.21Å; I409-Y413 WeakPolarHBondContact O-CD1 3.42Å; I409-Y413 VanDerWaalsContact O-CG 3.29Å; I409-Y413 PolarHBondContact O-N 3.39Å; I409-Y428 HydrophobicContact CD1-CE2 4.33Å; I409-Y428 WeakPolarHBondContact CD1-OH 3.46Å
410	C	98.8	Very high	98.3	Very high	6 Å²	6	49.7 Å²	49.7	4%	0.041	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-40.1	177.7	-69.4	0	0	0	0	112.2	L406 R407 Y413 S414 A422 L423	L406-C410 VanDerWaalsContact CD1-SG 3.57Å; L406-C410 PolarHBondContact O-N 2.91Å; L406-C410 PolarHBondContact O-SG 2.56Å; L406-C410 VanDerWaalsContact O-SG 3.35Å; R407-C410 PolarHBondContact O-N 3.16Å; C410-Y413 PolarHBondContact O-N 2.84Å; C410-S414 WeakPolarHBondContact O-CB 3.23Å; C410-S414 PolarHBondContact O-N 2.88Å; C410-A422 WeakPolarHBondContact CB-O 3.31Å; C410-A422 PolarHBondContact SG-O 3.36Å; C410-L423 HydrophobicContact CB-CD2 4.28Å
411	E	98.6	Very high	98.3	Very high	69 Å²	69	51.9 Å²	51.9	32%	0.322	25%	0.252	S	S	.	.	H	α-helix	trans	-60.7	-46.6	176.4	-77.3	170.8	179.9	0	0	112.5	R407 I409 S414 R415 L423	R407-E411 IonicContact CZ-OE1 3.93Å; R407-E411 IonicContact NH1-OE1 3.27Å; R407-E411 PolarHBondContact NH1-OE1 3.06Å; R407-E411 IonicContact NH1-OE2 2.77Å; R407-E411 PolarHBondContact NH1-OE2 3.21Å; R407-E411 WeakPolarHBondContact O-CG 3.47Å; R407-E411 PolarHBondContact O-N 3.3Å; I409-E411 VanDerWaalsContact C-N 3.32Å; I409-E411 PolarHBondContact O-N 3.37Å; E411-S414 PolarHBondContact O-N 2.87Å; E411-R415 WeakPolarHBondContact O-CG 3.31Å; E411-R415 PolarHBondContact O-N 2.81Å; E411-R415 VanDerWaalsContact O-N 3.15Å; E411-L423 HydrophobicContact CG-CD2 4.34Å
412	I	98.4	Very high	98.4	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-68.3	-40.1	176.7	-172.6	65.5	0	0	0	111.3	Y136 I362 A367 P368 R408 I409 S414 R415 V416	Y136-I412 HydrophobicContact CD1-CD1 4.41Å; Y136-I412 HydrophobicContact CE1-CD1 3.81Å; I362-I412 HydrophobicContact CD1-CG1 4.17Å; I362-I412 HydrophobicContact CG2-CD1 4.2Å; I362-I412 HydrophobicContact CG2-CG1 4.04Å; A367-I412 HydrophobicContact CB-CD1 3.93Å; A367-I412 HydrophobicContact CB-CG1 3.84Å; P368-I412 HydrophobicContact CG-CG2 4.05Å; R408-I412 WeakPolarHBondContact O-CG2 3.29Å; R408-I412 PolarHBondContact O-N 3.43Å; R408-I412 VanDerWaalsContact O-N 3.17Å; I409-I412 WeakPolarHBondContact O-CG2 3.42Å; I409-I412 PolarHBondContact O-N 3.47Å; I412-S414 VanDerWaalsContact C-N 3.31Å; I412-S414 PolarHBondContact O-N 3.2Å; I412-R415 PolarHBondContact O-N 3.33Å; I412-V416 HydrophobicContact CD1-CG2 4Å; I412-V416 HydrophobicContact CG1-CG2 3.94Å; I412-V416 WeakPolarHBondContact O-CB 3.45Å; I412-V416 WeakPolarHBondContact O-CG2 3.38Å; I412-V416 PolarHBondContact O-N 2.91Å
413	Y	98.8	Very high	98.4	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-39.7	176.9	-69.5	-2.5	0	0	0	111.8	V344 M360 I369 T372 I385 I409 C410 V416 L417	V344-Y413 HydrophobicContact CB-CE2 4.23Å; V344-Y413 HydrophobicContact CG2-CE2 3.9Å; M360-Y413 HydrophobicContact CE-CD1 3.59Å; M360-Y413 HydrophobicContact CE-CE1 3.68Å; M360-Y413 HydrophobicContact CE-CG 4.11Å; I369-Y413 HydrophobicContact CB-CE1 4.36Å; I369-Y413 HydrophobicContact CG1-CE1 4.19Å; I369-Y413 HydrophobicContact CG2-CE1 4.41Å; T372-Y413 HydrophobicContact CG2-CE1 3.59Å; T372-Y413 VanDerWaalsContact CG2-OH 3.3Å; T372-Y413 WeakPolarHBondContact CG2-OH 3.39Å; I385-Y413 HydrophobicContact CB-CE2 3.99Å; I385-Y413 HydrophobicContact CD1-CD2 4.29Å; I385-Y413 HydrophobicContact CG2-CD2 4.43Å; I385-Y413 HydrophobicContact CG2-CE2 3.7Å; I409-Y413 HydrophobicContact CG2-CD1 4.31Å; I409-Y413 HydrophobicContact CG2-CD2 3.86Å; I409-Y413 HydrophobicContact CG2-CE1 3.86Å; I409-Y413 HydrophobicContact CG2-CE2 3.37Å; I409-Y413 HydrophobicContact CG2-CG 4.31Å; I409-Y413 WeakPolarHBondContact O-CB 3.21Å; I409-Y413 WeakPolarHBondContact O-CD1 3.42Å; I409-Y413 VanDerWaalsContact O-CG 3.29Å; I409-Y413 PolarHBondContact O-N 3.39Å; C410-Y413 PolarHBondContact O-N 2.84Å; Y413-V416 PolarHBondContact O-N 2.85Å; Y413-L417 VanDerWaalsContact O-CB 3.26Å; Y413-L417 WeakPolarHBondContact O-CB 3.16Å; Y413-L417 WeakPolarHBondContact O-CG 3.35Å; Y413-L417 PolarHBondContact O-N 2.81Å
414	S	98.6	Very high	98.4	Very high	20 Å²	20	48.9 Å²	48.9	14%	0.14	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-46	175.1	177.3	0	0	0	0	112	C410 E411 I412 G418 S419	C410-S414 WeakPolarHBondContact O-CB 3.23Å; C410-S414 PolarHBondContact O-N 2.88Å; E411-S414 PolarHBondContact O-N 2.87Å; I412-S414 VanDerWaalsContact C-N 3.31Å; I412-S414 PolarHBondContact O-N 3.2Å; S414-G418 VanDerWaalsContact O-CA 3.23Å; S414-G418 WeakPolarHBondContact O-CA 3.29Å; S414-G418 PolarHBondContact O-N 2.85Å; S414-S419 WeakPolarHBondContact CA-O 3.18Å; S414-S419 PolarHBondContact O-N 3.25Å; S414-S419 VanDerWaalsContact O-N 3.09Å; S414-S419 PolarHBondContact OG-O 2.85Å
415	R	98.2	Very high	98.4	Very high	124 Å²	124	48.5 Å²	48.5	47%	0.468	24%	0.235	S	C	.	.	H	α-helix	trans	-63.6	-47.2	175.9	-68.4	-162.1	-60.9	-103.8	10.5	112.4	E364 E411 I412 G418	E364-R415 IonicContact OE1-CZ 3.95Å; E364-R415 IonicContact OE1-NH2 2.86Å; E364-R415 PolarHBondContact OE1-NH2 3.26Å; E411-R415 WeakPolarHBondContact O-CG 3.31Å; E411-R415 PolarHBondContact O-N 2.81Å; E411-R415 VanDerWaalsContact O-N 3.15Å; I412-R415 PolarHBondContact O-N 3.33Å; R415-G418 PolarHBondContact O-N 3.26Å
416	V	98.3	Very high	98.4	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-66.9	-45.6	-176	176.2	0	0	0	0	111.2	V134 Y136 S141 M360 I362 I412 Y413 G418	V134-V416 HydrophobicContact CB-CG1 4.41Å; V134-V416 HydrophobicContact CG1-CG1 3.78Å; Y136-V416 HydrophobicContact CD1-CG2 3.99Å; Y136-V416 HydrophobicContact CD2-CB 4.3Å; Y136-V416 HydrophobicContact CD2-CG2 3.73Å; Y136-V416 HydrophobicContact CE1-CG2 4.39Å; Y136-V416 HydrophobicContact CE2-CG2 4.17Å; Y136-V416 HydrophobicContact CG-CB 4.49Å; Y136-V416 HydrophobicContact CG-CG2 3.61Å; S141-V416 WeakPolarHBondContact CB-O 3.47Å; S141-V416 PolarHBondContact OG-O 3.04Å; M360-V416 HydrophobicContact CB-CG1 4.07Å; M360-V416 HydrophobicContact CG-CG1 3.89Å; M360-V416 HydrophobicContact SD-CB 3.98Å; M360-V416 HydrophobicContact SD-CG1 3.43Å; M360-V416 WeakPolarHBondContact SD-CG1 3.2Å; I362-V416 HydrophobicContact CD1-CG2 4.11Å; I362-V416 HydrophobicContact CG1-CG2 4.19Å; I412-V416 HydrophobicContact CD1-CG2 4Å; I412-V416 HydrophobicContact CG1-CG2 3.94Å; I412-V416 WeakPolarHBondContact O-CB 3.45Å; I412-V416 WeakPolarHBondContact O-CG2 3.38Å; I412-V416 PolarHBondContact O-N 2.91Å; Y413-V416 PolarHBondContact O-N 2.85Å; V416-G418 VanDerWaalsContact C-N 3.31Å
417	L	98.4	Very high	98.4	Very high	1 Å²	1	52 Å²	52	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-83.6	-10.7	-178.4	-61.6	169.3	0	0	0	112.5	F350 W351 K354 Y356 M360 I385 Y413 S419	F350-L417 HydrophobicContact CE2-CB 4.32Å; F350-L417 HydrophobicContact CE2-CD1 3.68Å; F350-L417 HydrophobicContact CZ-CD1 3.79Å; W351-L417 HydrophobicContact CB-CD1 4.28Å; W351-L417 HydrophobicContact CB-CD2 3.98Å; K354-L417 WeakPolarHBondContact CD-O 3.2Å; K354-L417 WeakPolarHBondContact CE-O 3.41Å; Y356-L417 HydrophobicContact CD2-CD2 3.7Å; Y356-L417 HydrophobicContact CE2-CD2 4.44Å; Y356-L417 HydrophobicContact CG-CD2 4.39Å; M360-L417 HydrophobicContact CG-CD2 4.48Å; M360-L417 HydrophobicContact SD-CD1 4.2Å; M360-L417 HydrophobicContact SD-CD2 3.71Å; M360-L417 HydrophobicContact SD-CG 3.76Å; I385-L417 HydrophobicContact CD1-CD1 3.92Å; Y413-L417 VanDerWaalsContact O-CB 3.26Å; Y413-L417 WeakPolarHBondContact O-CB 3.16Å; Y413-L417 WeakPolarHBondContact O-CG 3.35Å; Y413-L417 PolarHBondContact O-N 2.81Å; L417-S419 VanDerWaalsContact C-N 3.35Å
418	G	97.9	Very high	98.4	Very high	48 Å²	48	47.3 Å²	47.3	50%	0.495	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	47.7	-174.3	0	0	0	0	0	111.5	K354 S414 R415 V416	K354-G418 PolarHBondContact NZ-O 3.49Å; S414-G418 VanDerWaalsContact O-CA 3.23Å; S414-G418 WeakPolarHBondContact O-CA 3.29Å; S414-G418 PolarHBondContact O-N 2.85Å; R415-G418 PolarHBondContact O-N 3.26Å; V416-G418 VanDerWaalsContact C-N 3.31Å
419	S	97.9	Very high	98.4	Very high	17 Å²	17	44.2 Å²	44.2	12%	0.119	23%	0.228	C	C	.	.			trans	-148.7	122.6	-174.2	-170.2	0	0	0	0	112.2	S414 L417 E421 A422	S414-S419 WeakPolarHBondContact CA-O 3.18Å; S414-S419 PolarHBondContact O-N 3.25Å; S414-S419 VanDerWaalsContact O-N 3.09Å; S414-S419 PolarHBondContact OG-O 2.85Å; L417-S419 VanDerWaalsContact C-N 3.35Å; S419-E421 PolarHBondContact O-N 2.93Å; S419-E421 PolarHBondContact OG-N 2.9Å; S419-A422 WeakPolarHBondContact O-CB 3.23Å; S419-A422 PolarHBondContact O-N 3.29Å
420	E	97.8	Very high	98.4	Very high	147 Å²	147	45.6 Å²	45.6	69%	0.687	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-64.7	-21.3	173.7	-66.5	-171.5	164.3	0	0	112.7	A422 L423 H424	E420-A422 PolarHBondContact O-N 3.11Å; E420-A422 VanDerWaalsContact O-N 3.07Å; E420-L423 WeakPolarHBondContact O-CA 3.25Å; E420-L423 VanDerWaalsContact O-CB 3.25Å; E420-L423 WeakPolarHBondContact O-CB 3.49Å; E420-L423 PolarHBondContact O-N 2.84Å; E420-H424 PolarHBondContact O-CD2 2.97Å; E420-H424 VanDerWaalsContact O-CD2 3.25Å
421	E	98.2	Very high	98.4	Very high	93 Å²	93	47.4 Å²	47.4	44%	0.435	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-56.2	-28.3	174.8	-65.5	-173.6	-141.9	0	0	112.6	Y346 F350 S419 L423 H424	Y346-E421 WeakPolarHBondContact CE1-O 3.31Å; F350-E421 HydrophobicContact CB-CB 4.33Å; F350-E421 WeakPolarHBondContact CB-OE2 3.45Å; F350-E421 HydrophobicContact CD1-CB 3.95Å; F350-E421 HydrophobicContact CD2-CB 3.99Å; F350-E421 HydrophobicContact CE1-CB 4.25Å; F350-E421 HydrophobicContact CE2-CB 4.31Å; F350-E421 HydrophobicContact CG-CB 3.82Å; F350-E421 WeakPolarHBondContact CG-OE2 3.5Å; F350-E421 HydrophobicContact CZ-CB 4.44Å; S419-E421 PolarHBondContact O-N 2.93Å; S419-E421 PolarHBondContact OG-N 2.9Å; E421-L423 PolarHBondContact O-N 3.39Å; E421-H424 PolarHBondContact O-N 3.35Å; E421-H424 VanDerWaalsContact O-N 3.09Å
422	A	98.4	Very high	98.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-64.5	-21.2	175.2	0	0	0	0	0	113.5	Y346 F350 C410 S419 E420 H424	Y346-A422 WeakPolarHBondContact CE1-O 3.47Å; Y346-A422 PolarHBondContact OH-O 3.18Å; F350-A422 HydrophobicContact CE2-CB 4.19Å; F350-A422 HydrophobicContact CZ-CB 3.67Å; C410-A422 WeakPolarHBondContact CB-O 3.31Å; C410-A422 PolarHBondContact SG-O 3.36Å; S419-A422 WeakPolarHBondContact O-CB 3.23Å; S419-A422 PolarHBondContact O-N 3.29Å; E420-A422 PolarHBondContact O-N 3.11Å; E420-A422 VanDerWaalsContact O-N 3.07Å; A422-H424 VanDerWaalsContact C-N 3.28Å
423	L	98.7	Very high	98.4	Very high	69 Å²	69	44.8 Å²	44.8	36%	0.361	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-80.7	-6.8	176.1	-57.8	176.1	0	0	0	113.2	C410 E411 E420 E421 P425	C410-L423 HydrophobicContact CB-CD2 4.28Å; E411-L423 HydrophobicContact CG-CD2 4.34Å; E420-L423 WeakPolarHBondContact O-CA 3.25Å; E420-L423 VanDerWaalsContact O-CB 3.25Å; E420-L423 WeakPolarHBondContact O-CB 3.49Å; E420-L423 PolarHBondContact O-N 2.84Å; E421-L423 PolarHBondContact O-N 3.39Å; L423-P425 WeakPolarHBondContact O-CD 3.43Å
424	H	98.5	Very high	98.3	Very high	125 Å²	125	47.1 Å²	47.1	58%	0.579	25%	0.245	S	C	*	.			trans	-119.1	60.9	-174	-57	-60.8	0	0	0	112.2	E420 E421 A422	E420-H424 PolarHBondContact O-CD2 2.97Å; E420-H424 VanDerWaalsContact O-CD2 3.25Å; E421-H424 PolarHBondContact O-N 3.35Å; E421-H424 VanDerWaalsContact O-N 3.09Å; A422-H424 VanDerWaalsContact C-N 3.28Å
425	P	98.5	Very high	98.3	Very high	38 Å²	38	52.3 Å²	52.3	25%	0.247	27%	0.268	C	S	.	.			trans	-66.1	148.2	175.4	33	-37.4	0	0	0	110.8	V344 Y345 Y346 L406 L423	V344-P425 HydrophobicContact CG1-CB 3.56Å; V344-P425 HydrophobicContact CG1-CG 4.44Å; Y345-P425 CarbonylContact O-C 3.16Å; Y345-P425 VanDerWaalsContact O-CA 3.22Å; Y345-P425 WeakPolarHBondContact O-CA 3.32Å; Y346-P425 HydrophobicContact CE1-CB 4.24Å; L406-P425 HydrophobicContact CD1-CG 4.2Å; L406-P425 HydrophobicContact CD2-CG 4.23Å; L406-P425 HydrophobicContact CG-CG 4.47Å; L423-P425 WeakPolarHBondContact O-CD 3.43Å
426	V	98.5	Very high	98.3	Very high	77 Å²	77	47.9 Å²	47.9	47%	0.467	25%	0.252	S	S	.	.	S	Bend	trans	-95.8	-19.9	174.6	-64.1	0	0	0	0	113.2	Y345 K347	Y345-V426 PolarHBondContact O-N 3.2Å; K347-V426 HydrophobicContact CD-CG1 4.27Å; K347-V426 HydrophobicContact CG-CG1 3.37Å
427	H	98.6	Very high	98.2	Very high	50 Å²	50	53.3 Å²	53.3	23%	0.231	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	158.8	178.6	-170.5	58.7	0	0	0	110.6	E95 Y345 E429	E95-H427 HydrophobicContact CB-CB 4.44Å; Y345-H427 HydrophobicContact CD2-CB 3.94Å; Y345-H427 AromaticContact CD2-CD2 3.71Å; Y345-H427 AromaticContact CE2-CD2 3.85Å; Y345-H427 HydrophobicContact CG-CB 4.08Å; Y345-H427 PolarHBondContact N-O 2.91Å; H427-E429 IonicContact CD2-OE1 2.81Å; H427-E429 IonicContact CE1-OE1 3.42Å; H427-E429 VanDerWaalsContact NE2-CD 3.35Å; H427-E429 WeakPolarHBondContact NE2-CG 3.43Å; H427-E429 IonicContact NE2-OE1 3.66Å; H427-E429 PolarHBondContact NE2-OE1 2.87Å
428	Y	98.7	Very high	98.2	Very high	13 Å²	13	56.6 Å²	56.6	5%	0.051	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	127.3	177.2	-179.8	-126.5	0	0	0	112.2	C342 M343 V344 K402 L406 I409 E430	C342-Y428 HydrophobicContact CB-CE2 3.96Å; C342-Y428 PolarHBondContact SG-OH 3.44Å; M343-Y428 WeakPolarHBondContact O-CA 3.15Å; M343-Y428 WeakPolarHBondContact O-CD2 3.34Å; V344-Y428 HydrophobicContact CG2-CD2 3.91Å; V344-Y428 HydrophobicContact CG2-CE2 3.98Å; K402-Y428 HydrophobicContact CD-CD1 4.19Å; K402-Y428 HydrophobicContact CD-CE1 4.34Å; K402-Y428 WeakPolarHBondContact CE-O 3.41Å; K402-Y428 HydrophobicContact CG-CD1 3.69Å; K402-Y428 HydrophobicContact CG-CE1 3.55Å; K402-Y428 PolarHBondContact NZ-O 2.74Å; L406-Y428 HydrophobicContact CB-CD1 3.78Å; L406-Y428 HydrophobicContact CB-CE1 3.89Å; L406-Y428 HydrophobicContact CB-CG 4.22Å; L406-Y428 HydrophobicContact CD1-CD1 4.14Å; L406-Y428 HydrophobicContact CD1-CD2 3.68Å; L406-Y428 HydrophobicContact CD1-CE2 4.17Å; L406-Y428 HydrophobicContact CD1-CG 3.69Å; L406-Y428 HydrophobicContact CD2-CD1 4.03Å; L406-Y428 HydrophobicContact CD2-CG 3.97Å; L406-Y428 HydrophobicContact CG-CD1 4.2Å; L406-Y428 HydrophobicContact CG-CG 4.17Å; I409-Y428 HydrophobicContact CD1-CE2 4.33Å; I409-Y428 WeakPolarHBondContact CD1-OH 3.46Å; Y428-E430 HydrophobicContact CE1-CB 4.19Å; Y428-E430 HydrophobicContact CE1-CG 4.08Å; Y428-E430 WeakPolarHBondContact CE1-OE2 3.28Å; Y428-E430 HydrophobicContact CE2-CB 4.48Å; Y428-E430 PolarHBondContact OH-OE2 3.48Å
429	E	98.5	Very high	98.3	Very high	29 Å²	29	54.4 Å²	54.4	14%	0.136	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.2	171.5	-62.2	-69.9	-174.7	0	0	109.9	N93 T96 V99 L101 M343 Y345 K402 H427	N93-E429 PolarHBondContact ND2-OE1 2.88Å; T96-E429 HydrophobicContact CG2-CG 3.98Å; V99-E429 HydrophobicContact CG1-CG 4.41Å; L101-E429 HydrophobicContact CD2-CB 4.04Å; M343-E429 HydrophobicContact CB-CB 4.43Å; M343-E429 HydrophobicContact CE-CB 4.19Å; M343-E429 WeakPolarHBondContact CE-O 3.48Å; M343-E429 PolarHBondContact N-O 3.16Å; M343-E429 PolarHBondContact O-N 2.64Å; Y345-E429 HydrophobicContact CE2-CB 4.35Å; Y345-E429 HydrophobicContact CE2-CG 4.04Å; K402-E429 IonicContact NZ-OE2 3.78Å; H427-E429 IonicContact CD2-OE1 2.81Å; H427-E429 IonicContact CE1-OE1 3.42Å; H427-E429 VanDerWaalsContact NE2-CD 3.35Å; H427-E429 WeakPolarHBondContact NE2-CG 3.43Å; H427-E429 IonicContact NE2-OE1 3.66Å; H427-E429 PolarHBondContact NE2-OE1 2.87Å
430	E	98.6	Very high	98.3	Very high	30 Å²	30	55.4 Å²	55.4	14%	0.14	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	158.3	170.8	66.2	177.6	-164.7	0	0	111.6	I340 K341 K402 R405 Y428	I340-E430 HydrophobicContact CG2-CB 4.2Å; K341-E430 CarbonylContact O-C 3.56Å; K341-E430 WeakPolarHBondContact O-CA 3.35Å; K402-E430 HydrophobicContact CD-CG 4.25Å; K402-E430 HydrophobicContact CG-CG 4.17Å; K402-E430 WeakPolarHBondContact CG-OE1 3.47Å; R405-E430 IonicContact CZ-OE1 2.59Å; R405-E430 VanDerWaalsContact CZ-OE1 3.23Å; R405-E430 IonicContact CZ-OE2 3.35Å; R405-E430 IonicContact NE-OE1 3.54Å; R405-E430 PolarHBondContact NE-OE1 3.34Å; R405-E430 IonicContact NE-OE2 2.74Å; R405-E430 PolarHBondContact NE-OE2 3.41Å; R405-E430 IonicContact NH2-OE1 3.67Å; R405-E430 PolarHBondContact NH2-OE1 2.88Å; Y428-E430 HydrophobicContact CE1-CB 4.19Å; Y428-E430 HydrophobicContact CE1-CG 4.08Å; Y428-E430 WeakPolarHBondContact CE1-OE2 3.28Å; Y428-E430 HydrophobicContact CE2-CB 4.48Å; Y428-E430 PolarHBondContact OH-OE2 3.48Å
431	K	98.6	Very high	98.3	Very high	44 Å²	44	48.4 Å²	48.4	19%	0.191	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	116.7	169.1	-174.6	64	177.7	173.3	0	110.6	L101 I340 K341 W433 E436	L101-K431 HydrophobicContact CB-CB 3.81Å; L101-K431 HydrophobicContact CB-CG 4.39Å; L101-K431 HydrophobicContact CD1-CB 4.19Å; I340-K431 WeakPolarHBondContact CA-O 3.15Å; K341-K431 PolarHBondContact N-O 3.48Å; K341-K431 PolarHBondContact O-N 3.12Å; K431-W433 HydrophobicContact CG-CD2 4.25Å; K431-W433 HydrophobicContact CG-CG 4.41Å; K431-W433 HydrophobicContact CG-CZ2 4.14Å; K431-E436 WeakPolarHBondContact CE-OE1 3.27Å; K431-E436 IonicContact NZ-OE1 3.4Å; K431-E436 PolarHBondContact NZ-OE1 3.09Å; K431-E436 IonicContact NZ-OE2 3.8Å
432	N	98.5	Very high	98.3	Very high	11 Å²	11	44.3 Å²	44.3	6%	0.059	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	112.4	166.5	-173.1	-4.4	0	0	0	108.9	I340 C434 E435	I340-N432 HydrophobicContact CD1-CB 4.28Å; I340-N432 HydrophobicContact CG1-CB 4.04Å; I340-N432 HydrophobicContact CG2-CB 4.41Å; N432-C434 VanDerWaalsContact C-N 3.33Å; N432-C434 VanDerWaalsContact OD1-CB 3.28Å; N432-C434 WeakPolarHBondContact OD1-CB 3.19Å; N432-C434 PolarHBondContact OD1-N 3.47Å; N432-E435 HydrophobicContact CB-CG 4.33Å; N432-E435 PolarHBondContact ND2-OE1 3.43Å
433	W	98.6	Very high	98.3	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.015	24%	0.239	C	C	.	.	S	Bend	trans	-82.5	-12.7	-179.4	-76.3	94	0	0	0	113.3	R87 F89 L101 V339 K431 E435 E436 G441 C442	R87-W433 HydrophobicContact CB-CZ3 4.45Å; R87-W433 HydrophobicContact CG-CZ3 4.31Å; F89-W433 HydrophobicContact CB-CH2 4.01Å; F89-W433 HydrophobicContact CB-CZ2 4.17Å; L101-W433 PolarHBondContact O-NE1 3.03Å; V339-W433 HydrophobicContact CG1-CB 4.27Å; V339-W433 PolarHBondContact O-N 3.34Å; K431-W433 HydrophobicContact CG-CD2 4.25Å; K431-W433 HydrophobicContact CG-CG 4.41Å; K431-W433 HydrophobicContact CG-CZ2 4.14Å; W433-E435 VanDerWaalsContact C-N 3.28Å; W433-E436 HydrophobicContact CD2-CG 4.44Å; W433-E436 HydrophobicContact CE3-CB 4.24Å; W433-E436 HydrophobicContact CE3-CG 3.75Å; W433-E436 HydrophobicContact CZ3-CG 4.17Å; W433-E436 WeakPolarHBondContact O-CB 3.43Å; W433-E436 PolarHBondContact O-N 3.38Å; W433-G441 WeakPolarHBondContact O-CA 3.31Å; W433-G441 PolarHBondContact O-N 2.96Å; W433-C442 HydrophobicContact CB-CB 3.6Å; W433-C442 HydrophobicContact CD2-CB 4.18Å; W433-C442 VanDerWaalsContact CE3-SG 3.55Å; W433-C442 HydrophobicContact CG-CB 3.67Å
434	C	97.3	Very high	98.3	Very high	48 Å²	48	43.7 Å²	43.7	32%	0.324	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-26.1	176	-56.2	0	0	0	0	112.4	C338 C394 N432 E436	C338-C434 WeakPolarHBondContact CA-SG 3.41Å; C338-C434 VanDerWaalsContact CB-SG 3.55Å; C394-C434 PolarHBondContact SG-SG 3.35Å; N432-C434 VanDerWaalsContact C-N 3.33Å; N432-C434 VanDerWaalsContact OD1-CB 3.28Å; N432-C434 WeakPolarHBondContact OD1-CB 3.19Å; N432-C434 PolarHBondContact OD1-N 3.47Å; C434-E436 VanDerWaalsContact C-N 3.27Å
435	E	97.3	Very high	98.3	Very high	130 Å²	130	37.9 Å²	37.9	61%	0.607	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-11.1	177.7	-69.8	165.2	-158.4	0	0	112.6	N432 W433 E437	N432-E435 HydrophobicContact CB-CG 4.33Å; N432-E435 PolarHBondContact ND2-OE1 3.43Å; W433-E435 VanDerWaalsContact C-N 3.28Å; E435-E437 PolarHBondContact O-N 3.19Å; E435-E437 VanDerWaalsContact O-N 3.08Å
436	E	97.9	Very high	98.3	Very high	31 Å²	31	37.3 Å²	37.3	15%	0.145	19%	0.19	C	C	.	.			trans	-78.4	100.9	-172.3	-70.9	-73.6	104.9	0	0	111.5	R81 K431 W433 C434 Y438 S439 G440	R81-E436 IonicContact CZ-OE2 3.92Å; R81-E436 IonicContact NH1-OE2 3.48Å; R81-E436 PolarHBondContact NH1-OE2 3.28Å; R81-E436 IonicContact NH2-OE2 3.21Å; K431-E436 WeakPolarHBondContact CE-OE1 3.27Å; K431-E436 IonicContact NZ-OE1 3.4Å; K431-E436 PolarHBondContact NZ-OE1 3.09Å; K431-E436 IonicContact NZ-OE2 3.8Å; W433-E436 HydrophobicContact CD2-CG 4.44Å; W433-E436 HydrophobicContact CE3-CB 4.24Å; W433-E436 HydrophobicContact CE3-CG 3.75Å; W433-E436 HydrophobicContact CZ3-CG 4.17Å; W433-E436 WeakPolarHBondContact O-CB 3.43Å; W433-E436 PolarHBondContact O-N 3.38Å; C434-E436 VanDerWaalsContact C-N 3.27Å; E436-Y438 PolarHBondContact O-N 3.47Å; E436-Y438 VanDerWaalsContact O-N 3.1Å; E436-S439 PolarHBondContact O-N 3.35Å; E436-G440 PolarHBondContact O-N 3.4Å
437	E	97.7	Very high	98.3	Very high	114 Å²	114	34 Å²	34	53%	0.533	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-38.7	-176.5	-148.5	-139	127	0	0	113.7	K316 E435	K316-E437 VanDerWaalsContact NZ-CG 3.33Å; K316-E437 PolarHBondContact NZ-O 3.27Å; K316-E437 IonicContact NZ-OE1 3.65Å; K316-E437 PolarHBondContact NZ-OE1 3.1Å; E435-E437 PolarHBondContact O-N 3.19Å; E435-E437 VanDerWaalsContact O-N 3.08Å
438	Y	98.4	Very high	98.3	Very high	71 Å²	71	33.2 Å²	33.2	28%	0.278	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	26.1	-179.9	-61.4	-73.9	0	0	0	113	A80 R81 P279 L313 E436	A80-Y438 HydrophobicContact CB-CD1 3.36Å; A80-Y438 HydrophobicContact CB-CD2 3.88Å; A80-Y438 HydrophobicContact CB-CE1 3.47Å; A80-Y438 VanDerWaalsContact CB-CE1 3.47Å; A80-Y438 HydrophobicContact CB-CE2 4Å; A80-Y438 HydrophobicContact CB-CG 3.58Å; R81-Y438 HydrophobicContact CG-CD2 4.25Å; R81-Y438 PolarHBondContact NH2-O 2.85Å; P279-Y438 HydrophobicContact CB-CE1 4Å; L313-Y438 WeakPolarHBondContact CD1-O 3.49Å; E436-Y438 PolarHBondContact O-N 3.47Å; E436-Y438 VanDerWaalsContact O-N 3.1Å
439	S	98.6	Very high	98.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-41.1	165.8	-69.3	0	0	0	0	111.2	R81 E436 G441	R81-S439 PolarHBondContact NH2-OG 2.95Å; E436-S439 PolarHBondContact O-N 3.35Å; S439-G441 PolarHBondContact O-N 2.93Å
440	G	97.8	Very high	98.3	Very high	39 Å²	39	33.9 Å²	33.9	40%	0.402	18%	0.178	S	C	.	.			trans	78.2	-17.9	-172.3	0	0	0	0	0	114.6	E436	E436-G440 PolarHBondContact O-N 3.4Å
441	G	98.5	Very high	98.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	159.8	-172.2	-178.4	0	0	0	0	0	111.4	M336 G337 W433 S439	M336-G441 WeakPolarHBondContact CE-O 3.39Å; G337-G441 WeakPolarHBondContact O-CA 3.32Å; W433-G441 WeakPolarHBondContact O-CA 3.31Å; W433-G441 PolarHBondContact O-N 2.96Å; S439-G441 PolarHBondContact O-N 2.93Å
442	C	98.7	Very high	98.3	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.041	17%	0.165	C	C	.	.	S	Bend	trans	-153	156.4	174.9	-91.6	0	0	0	0	110.1	R87 T219 G337 V339 W433	R87-C442 VanDerWaalsContact CG-SG 3.57Å; T219-C442 WeakPolarHBondContact CB-O 3.2Å; T219-C442 PolarHBondContact OG1-O 3.22Å; G337-C442 CarbonylContact C-O 3.53Å; G337-C442 PolarHBondContact O-N 3.32Å; G337-C442 VanDerWaalsContact O-O 3.04Å; V339-C442 HydrophobicContact CG1-CB 3.48Å; V339-C442 VanDerWaalsContact CG1-CB 3.48Å; V339-C442 WeakPolarHBondContact CG1-O 3.34Å; W433-C442 HydrophobicContact CB-CB 3.6Å; W433-C442 HydrophobicContact CD2-CB 4.18Å; W433-C442 VanDerWaalsContact CE3-SG 3.55Å; W433-C442 HydrophobicContact CG-CB 3.67Å
443	Y	98.3	Very high	98.3	Very high	54 Å²	54	31.9 Å²	31.9	21%	0.212	17%	0.172	C	C	.	.	S	Bend	cis	-78	-37.3	3.9	-43.7	-50.5	0	0	0	113	R87 V216 T219 F388	R87-Y443 WeakPolarHBondContact CD-O 3.15Å; R87-Y443 PolarHBondContact NH1-O 2.86Å; V216-Y443 WeakPolarHBondContact O-CE2 3.3Å; V216-Y443 PolarHBondContact O-OH 3.31Å; T219-Y443 HydrophobicContact CG2-CD1 4.22Å; T219-Y443 HydrophobicContact CG2-CD2 3.9Å; T219-Y443 HydrophobicContact CG2-CE1 3.94Å; T219-Y443 HydrophobicContact CG2-CE2 3.63Å; T219-Y443 HydrophobicContact CG2-CG 4.18Å; T219-Y443 PolarHBondContact OG1-N 2.84Å; F388-Y443 HydrophobicContact CE1-CE1 4.04Å; F388-Y443 HydrophobicContact CZ-CE1 4.2Å
444	T	98.8	Very high	98.3	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.018	20%	0.197	C	C	.	.			trans	-148	172.3	-167.6	-171.3	0	0	0	0	111	Y233 G337 G479	Y233-T444 HydrophobicContact CE2-CG2 3.91Å; G337-T444 PolarHBondContact N-O 2.97Å; G337-T444 VanDerWaalsContact N-O 3.09Å; T444-G479 WeakPolarHBondContact OG1-CA 3.35Å
445	A	98.5	Very high	98.3	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.025	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-67.2	144.3	167.5	0	0	0	0	0	110.8	W229 P335 M336 E472	W229-A445 WeakPolarHBondContact CZ2-O 3.03Å; P335-A445 CarbonylContact O-C 3.53Å; P335-A445 WeakPolarHBondContact O-CA 2.94Å; M336-A445 HydrophobicContact SD-CB 3.95Å; M336-A445 PolarHBondContact SD-N 3.42Å; M336-A445 VanDerWaalsContact SD-N 3.4Å; A445-E472 HydrophobicContact CB-CG 3.87Å
446	Y	98.6	Very high	98.2	Very high	26 Å²	26	29.4 Å²	29.4	10%	0.102	16%	0.156	C	C	.	.			trans	-115.1	160.1	166.7	70.2	-91.5	0	0	0	110.6	S220 E224 V225 P335 P448	S220-Y446 WeakPolarHBondContact OG-CD1 3.48Å; S220-Y446 WeakPolarHBondContact OG-CE1 3.36Å; E224-Y446 HydrophobicContact CB-CE2 3.91Å; E224-Y446 WeakPolarHBondContact O-CE2 3.44Å; V225-Y446 HydrophobicContact CG1-CD2 3.69Å; V225-Y446 HydrophobicContact CG1-CE2 4.35Å; V225-Y446 HydrophobicContact CG1-CG 4.02Å; P335-Y446 HydrophobicContact CB-CE1 3.95Å; P335-Y446 HydrophobicContact CG-CD1 4.12Å; P335-Y446 HydrophobicContact CG-CD2 4.11Å; P335-Y446 HydrophobicContact CG-CE1 3.57Å; P335-Y446 HydrophobicContact CG-CE2 3.55Å; P335-Y446 HydrophobicContact CG-CG 4.38Å; P335-Y446 WeakPolarHBondContact CG-OH 3.43Å; P335-Y446 PolarHBondContact O-N 3.13Å; Y446-P448 HydrophobicContact CD2-CG 4.47Å; Y446-P448 HydrophobicContact CE2-CG 4.12Å
447	F	98.7	Very high	98.2	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.026	17%	0.17	C	C	.	.			trans	-109.7	117.7	-180	-75.4	-122.3	0	0	0	109.3	S226 W229 L330 V334 T451 L452 L459	S226-F447 VanDerWaalsContact CB-O 3.25Å; S226-F447 WeakPolarHBondContact CB-O 3.28Å; S226-F447 PolarHBondContact N-O 3.28Å; W229-F447 HydrophobicContact CB-CB 3.83Å; W229-F447 AromaticContact CD1-CD2 3.35Å; W229-F447 AromaticContact CD1-CG 3.54Å; W229-F447 HydrophobicContact CD2-CB 4.11Å; W229-F447 HydrophobicContact CD2-CD2 4.33Å; W229-F447 AromaticContact CE2-CD2 3.88Å; W229-F447 HydrophobicContact CG-CB 3.56Å; W229-F447 HydrophobicContact CG-CD2 4.05Å; W229-F447 AromaticContact CG-CG 4Å; W229-F447 HydrophobicContact CG-CG 4Å; W229-F447 AromaticContact NE1-CD2 3.2Å; W229-F447 AromaticContact NE1-CE2 3.78Å; W229-F447 AromaticContact NE1-CG 3.9Å; L330-F447 HydrophobicContact CD1-CE1 4.02Å; L330-F447 HydrophobicContact CD1-CZ 4.46Å; V334-F447 HydrophobicContact CG1-CD1 4.04Å; V334-F447 HydrophobicContact CG1-CD2 4.18Å; V334-F447 HydrophobicContact CG1-CE1 3.72Å; V334-F447 HydrophobicContact CG1-CE2 3.88Å; V334-F447 HydrophobicContact CG1-CG 4.26Å; V334-F447 HydrophobicContact CG1-CZ 3.63Å; F447-T451 HydrophobicContact CD1-CG2 3.66Å; F447-T451 HydrophobicContact CE1-CG2 4.19Å; F447-T451 HydrophobicContact CG-CG2 4.46Å; F447-L452 HydrophobicContact CD1-CB 3.97Å; F447-L452 HydrophobicContact CD1-CD1 3.86Å; F447-L452 HydrophobicContact CE1-CD1 3.83Å; F447-L452 HydrophobicContact CZ-CD1 4.46Å; F447-L459 HydrophobicContact CZ-CD1 4.18Å; F447-L459 HydrophobicContact CZ-CD2 4.04Å
448	P	98.8	Very high	98.2	Very high	35 Å²	35	28.6 Å²	28.6	23%	0.227	15%	0.148	C	C	.	.			trans	-63.8	158.8	168.5	-21.2	33.6	0	0	0	112	E224 R333 P335 Y446 G450 T451	E224-P448 WeakPolarHBondContact O-CA 3.35Å; R333-P448 WeakPolarHBondContact O-CD 3.32Å; P335-P448 HydrophobicContact CG-CG 4.2Å; Y446-P448 HydrophobicContact CD2-CG 4.47Å; Y446-P448 HydrophobicContact CE2-CG 4.12Å; P448-G450 PolarHBondContact O-N 3.42Å; P448-T451 VanDerWaalsContact O-CB 3.23Å; P448-T451 WeakPolarHBondContact O-CB 3.46Å; P448-T451 PolarHBondContact O-N 3.03Å; P448-T451 VanDerWaalsContact O-N 3.16Å; P448-T451 PolarHBondContact O-OG1 3.41Å
449	P	98.8	Very high	98.2	Very high	48 Å²	48	25.5 Å²	25.5	31%	0.312	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	137.5	176.7	-28.2	34.2	0	0	0	114	D189 T192 T451	D189-P449 CarbonylContact O-C 3.51Å; D189-P449 WeakPolarHBondContact O-CA 3.25Å; D189-P449 WeakPolarHBondContact O-CB 3.38Å; T192-P449 HydrophobicContact CG2-CG 3.5Å; T192-P449 VanDerWaalsContact CG2-CG 3.5Å; P449-T451 PolarHBondContact O-N 2.85Å
450	G	98.4	Very high	98.1	Very high	7 Å²	7	26.8 Å²	26.8	7%	0.072	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-9.2	180	0	0	0	0	0	115.2	D189 P448 Q454	D189-G450 PolarHBondContact O-N 2.91Å; D189-G450 VanDerWaalsContact OD2-CA 3.29Å; D189-G450 WeakPolarHBondContact OD2-CA 3.43Å; P448-G450 PolarHBondContact O-N 3.42Å; G450-Q454 WeakPolarHBondContact O-CB 3.47Å; G450-Q454 WeakPolarHBondContact O-CG 3.38Å; G450-Q454 PolarHBondContact O-NE2 2.87Å
451	T	98.3	Very high	98.1	Very high	7 Å²	7	29 Å²	29	4%	0.043	14%	0.14	C	C	.	.	H	α-helix	trans	-74.6	-41	-174.7	-54.8	0	0	0	0	112	D189 L330 R333 V334 F447 P448 P449 F455	D189-T451 PolarHBondContact OD2-N 3.34Å; L330-T451 HydrophobicContact CD1-CG2 4.38Å; R333-T451 HydrophobicContact CB-CG2 3.87Å; V334-T451 HydrophobicContact CG1-CG2 4.16Å; F447-T451 HydrophobicContact CD1-CG2 3.66Å; F447-T451 HydrophobicContact CE1-CG2 4.19Å; F447-T451 HydrophobicContact CG-CG2 4.46Å; P448-T451 VanDerWaalsContact O-CB 3.23Å; P448-T451 WeakPolarHBondContact O-CB 3.46Å; P448-T451 PolarHBondContact O-N 3.03Å; P448-T451 VanDerWaalsContact O-N 3.16Å; P448-T451 PolarHBondContact O-OG1 3.41Å; P449-T451 PolarHBondContact O-N 2.85Å; T451-F455 HydrophobicContact CG2-CD2 4.18Å; T451-F455 WeakPolarHBondContact O-CB 3.26Å; T451-F455 WeakPolarHBondContact O-CD2 3.32Å; T451-F455 PolarHBondContact O-N 3.48Å
452	L	97.7	Very high	98.1	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-73.6	-38.8	-168.7	-174	61.1	0	0	0	112.3	P179 W180 D189 L228 W229 F447 G456	P179-L452 HydrophobicContact CB-CD2 3.92Å; P179-L452 HydrophobicContact CG-CD1 4.07Å; P179-L452 HydrophobicContact CG-CD2 3.84Å; P179-L452 HydrophobicContact CG-CG 4.17Å; W180-L452 HydrophobicContact CE3-CD1 4.49Å; D189-L452 PolarHBondContact OD2-N 3.49Å; D189-L452 VanDerWaalsContact OD2-N 3.11Å; L228-L452 HydrophobicContact CD2-CB 4.48Å; L228-L452 HydrophobicContact CD2-CD2 3.9Å; L228-L452 HydrophobicContact CD2-CG 4.31Å; L228-L452 HydrophobicContact CG-CD2 3.94Å; W229-L452 HydrophobicContact CB-CD2 3.83Å; W229-L452 HydrophobicContact CG-CD2 4.39Å; F447-L452 HydrophobicContact CD1-CB 3.97Å; F447-L452 HydrophobicContact CD1-CD1 3.86Å; F447-L452 HydrophobicContact CE1-CD1 3.83Å; F447-L452 HydrophobicContact CZ-CD1 4.46Å; L452-G456 WeakPolarHBondContact O-CA 3.5Å; L452-G456 PolarHBondContact O-N 3.37Å
453	T	98.4	Very high	98.1	Very high	34 Å²	34	32.5 Å²	32.5	21%	0.209	16%	0.162	C	C	.	.	H	α-helix	trans	-71.7	-36.9	177.3	51.2	0	0	0	0	112.6	A185 D189 L228	A185-T453 HydrophobicContact CB-CG2 3.91Å; D189-T453 HydrophobicContact CB-CG2 3.55Å; D189-T453 WeakPolarHBondContact OD2-CB 3.23Å; D189-T453 WeakPolarHBondContact OD2-CG2 3.1Å; D189-T453 PolarHBondContact OD2-N 3.17Å; D189-T453 PolarHBondContact OD2-OG1 2.87Å; L228-T453 HydrophobicContact CD2-CG2 3.79Å
454	Q	98.1	Very high	98.1	Very high	114 Å²	114	32.8 Å²	32.8	53%	0.533	18%	0.182	S	C	.	.	H	α-helix	trans	-76.7	-40.8	-179.9	-67.1	-179.9	32.2	0	0	112.6	G450	G450-Q454 WeakPolarHBondContact O-CB 3.47Å; G450-Q454 WeakPolarHBondContact O-CG 3.38Å; G450-Q454 PolarHBondContact O-NE2 2.87Å
455	F	98.2	Very high	98.1	Very high	16 Å²	16	36.4 Å²	36.4	7%	0.07	20%	0.195	C	C	.	.	H	α-helix	trans	-124.9	-11	-167.3	-53.7	-72.6	0	0	0	114.7	L326 Q329 L330 T451 R457 V458	L326-F455 HydrophobicContact CB-CD1 4.5Å; L326-F455 HydrophobicContact CD2-CD1 4.13Å; L326-F455 HydrophobicContact CD2-CE1 4.02Å; Q329-F455 HydrophobicContact CB-CD1 4.28Å; Q329-F455 HydrophobicContact CB-CE1 3.64Å; Q329-F455 HydrophobicContact CB-CZ 4.03Å; L330-F455 HydrophobicContact CB-CB 3.96Å; L330-F455 HydrophobicContact CB-CG 4.45Å; L330-F455 HydrophobicContact CD1-CB 3.6Å; L330-F455 HydrophobicContact CG-CB 4.26Å; T451-F455 HydrophobicContact CG2-CD2 4.18Å; T451-F455 WeakPolarHBondContact O-CB 3.26Å; T451-F455 WeakPolarHBondContact O-CD2 3.32Å; T451-F455 PolarHBondContact O-N 3.48Å; F455-R457 PolarHBondContact O-N 2.98Å; F455-R457 VanDerWaalsContact O-N 3.12Å; F455-V458 VanDerWaalsContact O-CG2 3.23Å; F455-V458 WeakPolarHBondContact O-CG2 3.47Å; F455-V458 PolarHBondContact O-N 3.16Å; F455-V458 VanDerWaalsContact O-N 3.09Å
456	G	95.8	Very high	98.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-56.7	-33.9	-173.8	0	0	0	0	0	114.3	W180 L452 V458 L459	W180-G456 VanDerWaalsContact CE3-C 3.42Å; W180-G456 WeakPolarHBondContact CH2-O 3.07Å; W180-G456 WeakPolarHBondContact CZ3-O 3.42Å; L452-G456 WeakPolarHBondContact O-CA 3.5Å; L452-G456 PolarHBondContact O-N 3.37Å; G456-V458 VanDerWaalsContact C-N 3.25Å; G456-V458 PolarHBondContact O-N 3.34Å; G456-L459 WeakPolarHBondContact O-CB 3.12Å; G456-L459 PolarHBondContact O-N 2.72Å
457	R	96.7	Very high	98.1	Very high	118 Å²	118	36.3 Å²	36.3	45%	0.445	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-58.2	-36.8	178.9	72.7	-172.1	-179	100.5	-12.7	113.3	W180 F455 L459 E461	W180-R457 HydrophobicContact CD2-CB 4.33Å; W180-R457 HydrophobicContact CH2-CB 4.41Å; W180-R457 VanDerWaalsContact CZ2-CA 3.46Å; W180-R457 HydrophobicContact CZ2-CB 3.81Å; F455-R457 PolarHBondContact O-N 2.98Å; F455-R457 VanDerWaalsContact O-N 3.12Å; R457-L459 PolarHBondContact O-N 3.21Å; R457-E461 WeakPolarHBondContact O-CG 3.4Å
458	V	98.3	Very high	98.2	Very high	10 Å²	10	36.1 Å²	36.1	6%	0.061	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-87.3	11.3	-178.8	-50.8	0	0	0	0	112.7	L326 R327 L330 F455 G456 R460 E461	L326-V458 HydrophobicContact CB-CG1 4Å; L326-V458 HydrophobicContact CB-CG2 4.06Å; L326-V458 HydrophobicContact CD1-CG1 4.27Å; R327-V458 HydrophobicContact CB-CG2 4.39Å; R327-V458 VanDerWaalsContact CD-O 3.26Å; R327-V458 WeakPolarHBondContact CD-O 3.48Å; R327-V458 PolarHBondContact NH1-O 3.29Å; L330-V458 HydrophobicContact CB-CG2 4.3Å; L330-V458 HydrophobicContact CD2-CG2 3.9Å; F455-V458 VanDerWaalsContact O-CG2 3.23Å; F455-V458 WeakPolarHBondContact O-CG2 3.47Å; F455-V458 PolarHBondContact O-N 3.16Å; F455-V458 VanDerWaalsContact O-N 3.09Å; G456-V458 VanDerWaalsContact C-N 3.25Å; G456-V458 PolarHBondContact O-N 3.34Å; V458-R460 VanDerWaalsContact C-N 3.26Å; V458-R460 PolarHBondContact O-N 2.87Å; V458-E461 WeakPolarHBondContact CG1-OE2 3.35Å
459	L	98	Very high	98.2	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.031	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-62.3	-33.8	-179.2	-177.8	57	0	0	0	112.7	P311 R327 L330 F447 G456 R457 E472 T473	P311-L459 HydrophobicContact CG-CD1 4.11Å; R327-L459 PolarHBondContact NH1-O 2.88Å; R327-L459 PolarHBondContact NH2-O 3.3Å; L330-L459 HydrophobicContact CD2-CB 4.37Å; L330-L459 HydrophobicContact CD2-CD1 4.18Å; F447-L459 HydrophobicContact CZ-CD1 4.18Å; F447-L459 HydrophobicContact CZ-CD2 4.04Å; G456-L459 WeakPolarHBondContact O-CB 3.12Å; G456-L459 PolarHBondContact O-N 2.72Å; R457-L459 PolarHBondContact O-N 3.21Å; L459-E472 VanDerWaalsContact CD2-O 3.27Å; L459-E472 WeakPolarHBondContact CD2-O 3.49Å; L459-T473 HydrophobicContact CG-CG2 4.39Å
460	R	97.6	Very high	98.2	Very high	27 Å²	27	32.4 Å²	32.4	10%	0.102	17%	0.17	C	C	.	.	S	Bend	trans	-135.3	5.9	-178.6	62.4	-179.3	150.9	-96	-8.9	114.4	E177 V458 T473	E177-R460 PolarHBondContact O-NH2 3.4Å; E177-R460 IonicContact OE2-CZ 3.61Å; E177-R460 IonicContact OE2-NE 3.59Å; E177-R460 IonicContact OE2-NH2 2.83Å; V458-R460 VanDerWaalsContact C-N 3.26Å; V458-R460 PolarHBondContact O-N 2.87Å; R460-T473 HydrophobicContact CB-CG2 4.09Å; R460-T473 PolarHBondContact NH1-O 3.48Å
461	E	98.1	Very high	98.2	Very high	85 Å²	85	32.3 Å²	32.3	40%	0.397	17%	0.168	S	C	.	.			trans	-61.8	129.8	172.7	-78.2	175.4	-165.2	0	0	109.6	R457 V458 F468	R457-E461 WeakPolarHBondContact O-CG 3.4Å; V458-E461 WeakPolarHBondContact CG1-OE2 3.35Å; E461-F468 WeakPolarHBondContact O-CD2 3.41Å; E461-F468 WeakPolarHBondContact O-CE2 3.4Å
462	P	98.6	Very high	98.2	Very high	61 Å²	61	32.2 Å²	32.2	40%	0.396	17%	0.167	S	C	.	.			trans	-60.9	147.9	175.3	-23.6	34	0	0	0	112.2	L466 Y467	P462-L466 CarbonylContact C-O 3.49Å; P462-L466 VanDerWaalsContact CA-O 3.24Å; P462-L466 WeakPolarHBondContact CA-O 3.49Å; P462-Y467 HydrophobicContact CB-CD1 3.95Å; P462-Y467 HydrophobicContact CB-CE1 3.77Å; P462-Y467 HydrophobicContact CB-CG 4.48Å; P462-Y467 HydrophobicContact CG-CD1 3.61Å; P462-Y467 HydrophobicContact CG-CE1 3.43Å; P462-Y467 VanDerWaalsContact CG-CE1 3.43Å
463	V	98.6	Very high	98.3	Very high	19 Å²	19	32.2 Å²	32.2	12%	0.115	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-117.6	94.1	173.6	175.7	0	0	0	0	108.3	Q285 L323 P324 R327 R465 L466 F468	Q285-V463 PolarHBondContact NE2-O 2.8Å; Q285-V463 PolarHBondContact OE1-O 2.85Å; L323-V463 HydrophobicContact CD2-CG1 4.12Å; L323-V463 HydrophobicContact CD2-CG2 4.49Å; P324-V463 VanDerWaalsContact CD-CG1 3.44Å; P324-V463 HydrophobicContact CG-CG1 3.98Å; P324-V463 HydrophobicContact CG-CG2 4.12Å; R327-V463 HydrophobicContact CG-CG2 4.41Å; V463-R465 PolarHBondContact O-N 3.32Å; V463-R465 VanDerWaalsContact O-N 3.1Å; V463-L466 HydrophobicContact CB-CB 4.45Å; V463-L466 PolarHBondContact N-O 2.82Å; V463-L466 WeakPolarHBondContact O-CB 3.48Å; V463-L466 WeakPolarHBondContact O-CG 3.21Å; V463-L466 PolarHBondContact O-N 2.98Å; V463-F468 HydrophobicContact CB-CE2 4.19Å; V463-F468 HydrophobicContact CB-CZ 4.44Å; V463-F468 HydrophobicContact CG2-CE2 3.84Å; V463-F468 HydrophobicContact CG2-CZ 4.18Å
464	G	97.9	Very high	98.3	Very high	60 Å²	60	30.6 Å²	30.6	62%	0.619	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	-112.5	-173.1	0	0	0	0	0	110.8
465	R	98.6	Very high	98.3	Very high	79 Å²	79	25.4 Å²	25.4	30%	0.298	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	6.6	179.7	-64.2	167.8	179.3	-142.1	18.1	113.4	D288 V290 R303 Y304 V305 V463	D288-R465 PolarHBondContact O-NH1 3.05Å; D288-R465 PolarHBondContact O-NH2 3.44Å; V290-R465 HydrophobicContact CG2-CB 3.71Å; V290-R465 HydrophobicContact CG2-CG 4.43Å; R303-R465 WeakPolarHBondContact O-CD 3.45Å; R303-R465 PolarHBondContact O-NH1 3.34Å; Y304-R465 HydrophobicContact CD1-CB 3.93Å; Y304-R465 HydrophobicContact CD1-CG 4.22Å; Y304-R465 HydrophobicContact CE1-CB 4.4Å; Y304-R465 HydrophobicContact CE1-CG 4.21Å; V305-R465 PolarHBondContact N-O 3.29Å; V463-R465 PolarHBondContact O-N 3.32Å; V463-R465 VanDerWaalsContact O-N 3.1Å
466	L	98.8	Very high	98.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.5	178.3	-46.5	-177.6	0	0	0	110.4	I283 V290 V305 F319 L323 P462 V463 F468	I283-L466 HydrophobicContact CG2-CD1 4.42Å; I283-L466 HydrophobicContact CG2-CD2 3.75Å; V290-L466 HydrophobicContact CG1-CD2 4.38Å; V305-L466 HydrophobicContact CB-CD2 3.72Å; V305-L466 HydrophobicContact CG1-CD2 4.35Å; V305-L466 HydrophobicContact CG2-CD2 4.11Å; V305-L466 WeakPolarHBondContact O-CA 3.37Å; F319-L466 HydrophobicContact CD1-CD1 3.75Å; F319-L466 HydrophobicContact CE1-CD1 3.89Å; L323-L466 HydrophobicContact CD2-CD1 4.44Å; P462-L466 CarbonylContact C-O 3.49Å; P462-L466 VanDerWaalsContact CA-O 3.24Å; P462-L466 WeakPolarHBondContact CA-O 3.49Å; V463-L466 HydrophobicContact CB-CB 4.45Å; V463-L466 PolarHBondContact N-O 2.82Å; V463-L466 WeakPolarHBondContact O-CB 3.48Å; V463-L466 WeakPolarHBondContact O-CG 3.21Å; V463-L466 PolarHBondContact O-N 2.98Å; L466-F468 HydrophobicContact CB-CZ 4.39Å
467	Y	98.9	Very high	98.4	Very high	27 Å²	27	27.7 Å²	27.7	11%	0.106	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	144.3	174.2	-69.8	-94.6	0	0	0	109.5	Y304 V305 V306 V307 P462 E494 V495 A498	Y304-Y467 HydrophobicContact CD1-CD2 4.25Å; Y304-Y467 AromaticContact CD1-CE2 3.63Å; Y304-Y467 HydrophobicContact CD1-CE2 3.63Å; Y304-Y467 HydrophobicContact CE1-CE2 4.02Å; V305-Y467 PolarHBondContact O-N 3.05Å; V306-Y467 CarbonylContact C-O 3.56Å; V306-Y467 WeakPolarHBondContact CA-O 3.48Å; V307-Y467 PolarHBondContact N-O 3.18Å; P462-Y467 HydrophobicContact CB-CD1 3.95Å; P462-Y467 HydrophobicContact CB-CE1 3.77Å; P462-Y467 HydrophobicContact CB-CG 4.48Å; P462-Y467 HydrophobicContact CG-CD1 3.61Å; P462-Y467 HydrophobicContact CG-CE1 3.43Å; P462-Y467 VanDerWaalsContact CG-CE1 3.43Å; Y467-E494 HydrophobicContact CD1-CB 3.39Å; Y467-E494 HydrophobicContact CD1-CG 4.32Å; Y467-E494 WeakPolarHBondContact CD1-OE2 3.3Å; Y467-E494 HydrophobicContact CE1-CB 3.52Å; Y467-E494 HydrophobicContact CG-CB 4.41Å; Y467-V495 HydrophobicContact CD1-CG2 4.49Å; Y467-V495 HydrophobicContact CD2-CG2 3.5Å; Y467-V495 VanDerWaalsContact CD2-CG2 3.5Å; Y467-V495 HydrophobicContact CE2-CG2 4.03Å; Y467-V495 HydrophobicContact CG-CG2 3.77Å; Y467-A498 WeakPolarHBondContact OH-CB 2.94Å
468	F	98.9	Very high	98.5	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.009	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.9	-172.8	-62.7	-82.5	0	0	0	110.9	V307 R327 E461 V463 L466 T473 R490	V307-F468 HydrophobicContact CB-CD1 3.77Å; V307-F468 HydrophobicContact CB-CE1 4.05Å; V307-F468 HydrophobicContact CG1-CD1 4.2Å; V307-F468 HydrophobicContact CG1-CE1 4.35Å; V307-F468 HydrophobicContact CG2-CD1 4.28Å; V307-F468 HydrophobicContact CG2-CE1 4.11Å; R327-F468 VanDerWaalsContact NH2-CE1 3.32Å; E461-F468 WeakPolarHBondContact O-CD2 3.41Å; E461-F468 WeakPolarHBondContact O-CE2 3.4Å; V463-F468 HydrophobicContact CB-CE2 4.19Å; V463-F468 HydrophobicContact CB-CZ 4.44Å; V463-F468 HydrophobicContact CG2-CE2 3.84Å; V463-F468 HydrophobicContact CG2-CZ 4.18Å; L466-F468 HydrophobicContact CB-CZ 4.39Å; F468-T473 HydrophobicContact CB-CG2 4.36Å; F468-R490 PolarHBondContact O-NH2 2.98Å
469	A	98.9	Very high	98.5	Very high	4 Å²	4	22.3 Å²	22.3	3%	0.033	13%	0.126	C	C	.	.			trans	-110.4	-150.1	172	0	0	0	0	0	109.3	V306 V307 A308 T473 A491	V306-A469 HydrophobicContact CG1-CB 3.71Å; V307-A469 PolarHBondContact O-N 3.49Å; A308-A469 HydrophobicContact CB-CB 3.94Å; A469-T473 WeakPolarHBondContact O-CG2 3.49Å; A469-T473 PolarHBondContact O-OG1 3.34Å; A469-A491 HydrophobicContact CB-CB 3.78Å
470	G	98.6	Very high	98.6	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.01	13%	0.132	C	C	.	.	S	Bend	trans	84.8	145.6	-172.5	0	0	0	0	0	111.4	S60 E472 T473 A487	S60-G470 WeakPolarHBondContact OG-CA 3.37Å; S60-G470 PolarHBondContact OG-N 3Å; G470-E472 PolarHBondContact O-N 3.45Å; G470-E472 VanDerWaalsContact O-N 3.07Å; G470-T473 PolarHBondContact O-N 3.44Å; G470-T473 PolarHBondContact O-OG1 2.91Å; G470-A487 WeakPolarHBondContact O-CB 3.45Å
471	T	98.9	Very high	98.6	Very high	5 Å²	5	23.3 Å²	23.3	3%	0.031	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-58.5	-27	-173.4	-168.4	0	0	0	0	113.1	T473 A474 S478 G479 Y480 A484	T471-T473 PolarHBondContact O-N 2.87Å; T471-A474 WeakPolarHBondContact O-CB 3.25Å; T471-A474 PolarHBondContact O-N 3.47Å; T471-A474 VanDerWaalsContact O-N 3.08Å; T471-S478 WeakPolarHBondContact O-CA 3.19Å; T471-S478 WeakPolarHBondContact O-CB 3.2Å; T471-S478 PolarHBondContact O-OG 3.37Å; T471-G479 PolarHBondContact OG1-N 2.82Å; T471-Y480 WeakPolarHBondContact CB-O 3.28Å; T471-Y480 PolarHBondContact OG1-N 3.12Å; T471-Y480 PolarHBondContact OG1-O 3.08Å; T471-A484 PolarHBondContact OG1-N 3.15Å
472	E	98.8	Very high	98.7	Very high	6 Å²	6	19.2 Å²	19.2	3%	0.028	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-60.6	-25.8	176.3	-63.5	76.6	-169.3	0	0	112.2	R87 P311 A445 L459 G470	R87-E472 IonicContact CZ-OE1 2.75Å; R87-E472 IonicContact NH1-OE1 2.7Å; R87-E472 PolarHBondContact NH1-OE1 3.45Å; R87-E472 IonicContact NH2-OE1 2.94Å; R87-E472 PolarHBondContact NH2-OE1 2.82Å; R87-E472 IonicContact NH2-OE2 3.48Å; R87-E472 PolarHBondContact NH2-OE2 3.5Å; P311-E472 HydrophobicContact CG-CB 4.11Å; P311-E472 HydrophobicContact CG-CG 4.32Å; A445-E472 HydrophobicContact CB-CG 3.87Å; L459-E472 VanDerWaalsContact CD2-O 3.27Å; L459-E472 WeakPolarHBondContact CD2-O 3.49Å; G470-E472 PolarHBondContact O-N 3.45Å; G470-E472 VanDerWaalsContact O-N 3.07Å
473	T	98.8	Very high	98.7	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.012	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-91.3	-0.1	179.6	68.6	0	0	0	0	113.7	L459 R460 F468 A469 G470 T471 A487 R490	L459-T473 HydrophobicContact CG-CG2 4.39Å; R460-T473 HydrophobicContact CB-CG2 4.09Å; R460-T473 PolarHBondContact NH1-O 3.48Å; F468-T473 HydrophobicContact CB-CG2 4.36Å; A469-T473 WeakPolarHBondContact O-CG2 3.49Å; A469-T473 PolarHBondContact O-OG1 3.34Å; G470-T473 PolarHBondContact O-N 3.44Å; G470-T473 PolarHBondContact O-OG1 2.91Å; T471-T473 PolarHBondContact O-N 2.87Å; T473-A487 WeakPolarHBondContact OG1-CB 3.46Å; T473-R490 PolarHBondContact O-NH1 2.64Å; T473-R490 PolarHBondContact OG1-NH2 2.84Å
474	A	98.8	Very high	98.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.092	C	C	.	.			trans	-72	163.8	176.9	0	0	0	0	0	112.2	T471 G483 Q486 A487	T471-A474 WeakPolarHBondContact O-CB 3.25Å; T471-A474 PolarHBondContact O-N 3.47Å; T471-A474 VanDerWaalsContact O-N 3.08Å; A474-G483 VanDerWaalsContact CB-CA 3.44Å; A474-G483 WeakPolarHBondContact CB-O 3.5Å; A474-Q486 VanDerWaalsContact CA-OE1 3.31Å; A474-Q486 VanDerWaalsContact CB-OE1 3.29Å; A474-A487 HydrophobicContact CB-CB 4.46Å
475	S	97.9	Very high	98.7	Very high	6 Å²	6	13 Å²	13	4%	0.042	6%	0.062	C	C	.	.	S	Bend	trans	-117.2	-9.3	173.7	62.2	0	0	0	0	113.6	E177 Q236 Q486	E177-S475 WeakPolarHBondContact OE1-CB 3.33Å; E177-S475 PolarHBondContact OE1-OG 3.39Å; E177-S475 VanDerWaalsContact OE2-CB 3.28Å; E177-S475 WeakPolarHBondContact OE2-CB 3.48Å; Q236-S475 WeakPolarHBondContact CB-O 3.42Å; S475-Q486 PolarHBondContact OG-NE2 2.93Å; S475-Q486 PolarHBondContact OG-OE1 3.4Å
476	E	98.3	Very high	98.8	Very high	59 Å²	59	10.1 Å²	10.1	28%	0.276	5%	0.052	S	C	.	.	S	Bend	trans	-131.2	130	171.8	-58	-178.3	125.1	0	0	108.2	R112 R176 Q236 S478 G483 Q486	R112-E476 IonicContact CZ-OE2 3.92Å; R112-E476 IonicContact NH1-OE2 2.95Å; R112-E476 PolarHBondContact NH1-OE2 3.47Å; R112-E476 IonicContact NH2-OE2 2.65Å; R112-E476 PolarHBondContact NH2-OE2 3.41Å; R176-E476 IonicContact NH1-OE1 3.23Å; R176-E476 PolarHBondContact NH1-OE1 3.11Å; Q236-E476 VanDerWaalsContact OE1-C 3.31Å; E476-S478 PolarHBondContact O-N 2.96Å; E476-S478 VanDerWaalsContact O-N 3.14Å; E476-G483 WeakPolarHBondContact O-CA 3.27Å; E476-Q486 PolarHBondContact OE2-NE2 3.14Å
477	W	98.8	Very high	98.8	Very high	5 Å²	5	10.1 Å²	10.1	2%	0.019	5%	0.052	C	C	.	.	S	Bend	trans	45.7	39.4	-174.1	-64.6	96	0	0	0	114.7	T109 Q110 Q236 C237 R242 G479 Y480 E482 G483	T109-W477 VanDerWaalsContact OG1-CZ2 3.32Å; T109-W477 WeakPolarHBondContact OG1-CZ2 3.2Å; T109-W477 PolarHBondContact OG1-NE1 2.88Å; Q110-W477 HydrophobicContact CG-CD2 3.68Å; Q110-W477 HydrophobicContact CG-CE3 4.24Å; Q110-W477 HydrophobicContact CG-CG 3.91Å; Q110-W477 HydrophobicContact CG-CH2 4.5Å; Q110-W477 HydrophobicContact CG-CZ2 3.97Å; Q110-W477 VanDerWaalsContact NE2-CE3 3.26Å; Q236-W477 PolarHBondContact O-N 2.94Å; C237-W477 HydrophobicContact CB-CD2 4.29Å; C237-W477 HydrophobicContact CB-CE3 3.89Å; C237-W477 HydrophobicContact CB-CH2 4.23Å; C237-W477 HydrophobicContact CB-CZ3 3.85Å; C237-W477 VanDerWaalsContact O-CZ2 3.29Å; C237-W477 WeakPolarHBondContact O-CZ2 3.28Å; C237-W477 VanDerWaalsContact SG-CE3 3.55Å; R242-W477 HydrophobicContact CG-CH2 3.92Å; R242-W477 HydrophobicContact CG-CZ2 3.72Å; W477-G479 PolarHBondContact O-N 3.38Å; W477-Y480 AromaticContact CE3-CD1 3.98Å; W477-Y480 HydrophobicContact CE3-CD1 3.98Å; W477-Y480 AromaticContact CE3-CD2 3.78Å; W477-Y480 HydrophobicContact CE3-CD2 3.78Å; W477-Y480 HydrophobicContact CE3-CE1 4.08Å; W477-Y480 AromaticContact CE3-CE2 3.89Å; W477-Y480 HydrophobicContact CE3-CE2 3.89Å; W477-Y480 AromaticContact CE3-CG 3.84Å; W477-Y480 HydrophobicContact CE3-CG 3.84Å; W477-Y480 HydrophobicContact CZ3-CD1 4.26Å; W477-Y480 HydrophobicContact CZ3-CD2 4.49Å; W477-Y480 AromaticContact CZ3-CE1 3.95Å; W477-Y480 HydrophobicContact CZ3-CE1 3.95Å; W477-Y480 HydrophobicContact CZ3-CE2 4.21Å; W477-Y480 AromaticContact CZ3-CZ 3.93Å; W477-Y480 WeakPolarHBondContact O-CB 3.33Å; W477-Y480 PolarHBondContact O-N 3.23Å; W477-E482 HydrophobicContact CB-CB 3.63Å; W477-E482 HydrophobicContact CB-CG 3.58Å; W477-E482 HydrophobicContact CG-CB 4.13Å; W477-E482 HydrophobicContact CG-CG 3.88Å; W477-G483 VanDerWaalsContact O-CA 3.31Å; W477-G483 WeakPolarHBondContact O-CA 3.19Å; W477-G483 PolarHBondContact O-N 3.43Å
478	S	98.9	Very high	98.8	Very high	4 Å²	4	8.9 Å²	8.9	3%	0.028	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	133.6	164.7	-173.3	0	0	0	0	109.9	Y233 Q236 T471 E476	Y233-S478 WeakPolarHBondContact CE2-O 3.27Å; Q236-S478 PolarHBondContact NE2-O 3.08Å; Q236-S478 VanDerWaalsContact NE2-O 3.12Å; T471-S478 WeakPolarHBondContact O-CA 3.19Å; T471-S478 WeakPolarHBondContact O-CB 3.2Å; T471-S478 PolarHBondContact O-OG 3.37Å; E476-S478 PolarHBondContact O-N 2.96Å; E476-S478 VanDerWaalsContact O-N 3.14Å
479	G	98.6	Very high	98.8	Very high	10 Å²	10	9.5 Å²	9.5	10%	0.103	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	-9.6	-172.2	0	0	0	0	0	115	T444 T471 W477	T444-G479 WeakPolarHBondContact OG1-CA 3.35Å; T471-G479 PolarHBondContact OG1-N 2.82Å; W477-G479 PolarHBondContact O-N 3.38Å
480	Y	98.9	Very high	98.8	Very high	38 Å²	38	9.8 Å²	9.8	15%	0.149	5%	0.05	C	C	.	.	S	Bend	trans	-111.9	174.6	-179.3	-68	-107.8	0	0	0	112.5	Y233 I243 T471 W477 E482 G483 A484	Y233-Y480 HydrophobicContact CE1-CE2 4.49Å; Y233-Y480 WeakPolarHBondContact OH-CE2 3.4Å; I243-Y480 WeakPolarHBondContact CG1-OH 3.47Å; T471-Y480 WeakPolarHBondContact CB-O 3.28Å; T471-Y480 PolarHBondContact OG1-N 3.12Å; T471-Y480 PolarHBondContact OG1-O 3.08Å; W477-Y480 AromaticContact CE3-CD1 3.98Å; W477-Y480 HydrophobicContact CE3-CD1 3.98Å; W477-Y480 AromaticContact CE3-CD2 3.78Å; W477-Y480 HydrophobicContact CE3-CD2 3.78Å; W477-Y480 HydrophobicContact CE3-CE1 4.08Å; W477-Y480 AromaticContact CE3-CE2 3.89Å; W477-Y480 HydrophobicContact CE3-CE2 3.89Å; W477-Y480 AromaticContact CE3-CG 3.84Å; W477-Y480 HydrophobicContact CE3-CG 3.84Å; W477-Y480 HydrophobicContact CZ3-CD1 4.26Å; W477-Y480 HydrophobicContact CZ3-CD2 4.49Å; W477-Y480 AromaticContact CZ3-CE1 3.95Å; W477-Y480 HydrophobicContact CZ3-CE1 3.95Å; W477-Y480 HydrophobicContact CZ3-CE2 4.21Å; W477-Y480 AromaticContact CZ3-CZ 3.93Å; W477-Y480 WeakPolarHBondContact O-CB 3.33Å; W477-Y480 PolarHBondContact O-N 3.23Å; Y480-E482 VanDerWaalsContact C-N 3.3Å; Y480-E482 PolarHBondContact O-N 3.36Å; Y480-G483 PolarHBondContact O-N 2.82Å; Y480-A484 PolarHBondContact O-N 3.41Å; Y480-A484 VanDerWaalsContact O-N 3.1Å
481	M	98.9	Very high	98.8	Very high	16 Å²	16	9.8 Å²	9.8	8%	0.079	5%	0.05	C	C	.	.	H	α-helix	trans	-60.6	-38.6	171.6	-63.7	-176.7	-84.3	0	0	111.7	I59 T88 Y105 I106 I113 F255 A484 V485	I59-M481 HydrophobicContact CD1-CB 3.85Å; I59-M481 HydrophobicContact CD1-CG 3.61Å; I59-M481 HydrophobicContact CD1-SD 3.91Å; T88-M481 HydrophobicContact CG2-CG 3.87Å; T88-M481 HydrophobicContact CG2-SD 3.63Å; Y105-M481 WeakPolarHBondContact O-CE 3.32Å; I106-M481 HydrophobicContact CG2-CE 3.65Å; I113-M481 HydrophobicContact CD1-CB 4.05Å; I113-M481 HydrophobicContact CG1-CB 3.93Å; F255-M481 HydrophobicContact CE2-CE 3.96Å; F255-M481 HydrophobicContact CE2-SD 4.09Å; M481-A484 VanDerWaalsContact O-CB 3.3Å; M481-A484 WeakPolarHBondContact O-CB 3.21Å; M481-A484 PolarHBondContact O-N 3.33Å; M481-V485 WeakPolarHBondContact O-CG2 3.11Å; M481-V485 PolarHBondContact O-N 2.75Å; M481-V485 VanDerWaalsContact O-N 3.12Å
482	E	98.9	Very high	98.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-56.2	-53.6	174.1	172	61.1	-156.8	0	0	112.1	Q110 N111 R112 I113 W477 Y480 A484 V485 Q486	Q110-E482 WeakPolarHBondContact CA-OE2 3.32Å; Q110-E482 HydrophobicContact CB-CB 3.91Å; Q110-E482 HydrophobicContact CB-CG 4.12Å; Q110-E482 HydrophobicContact CG-CB 3.97Å; Q110-E482 HydrophobicContact CG-CG 4.27Å; N111-E482 PolarHBondContact N-OE2 3.42Å; R112-E482 WeakPolarHBondContact CA-OE2 3.21Å; R112-E482 WeakPolarHBondContact CB-OE1 3.23Å; R112-E482 WeakPolarHBondContact CB-OE2 3.31Å; R112-E482 VanDerWaalsContact CD-OE1 3.31Å; R112-E482 WeakPolarHBondContact CD-OE1 3.47Å; R112-E482 WeakPolarHBondContact CG-OE1 3.5Å; R112-E482 IonicContact CZ-OE1 3.34Å; R112-E482 PolarHBondContact N-OE1 3.1Å; R112-E482 PolarHBondContact N-OE2 3Å; R112-E482 IonicContact NE-OE1 2.84Å; R112-E482 IonicContact NH1-OE1 2.81Å; R112-E482 PolarHBondContact NH1-OE1 2.75Å; I113-E482 HydrophobicContact CG2-CB 4.19Å; I113-E482 PolarHBondContact N-OE2 2.77Å; W477-E482 HydrophobicContact CB-CB 3.63Å; W477-E482 HydrophobicContact CB-CG 3.58Å; W477-E482 HydrophobicContact CG-CB 4.13Å; W477-E482 HydrophobicContact CG-CG 3.88Å; Y480-E482 VanDerWaalsContact C-N 3.3Å; Y480-E482 PolarHBondContact O-N 3.36Å; E482-A484 PolarHBondContact O-N 3.3Å; E482-V485 PolarHBondContact O-N 3.11Å; E482-V485 VanDerWaalsContact O-N 3.09Å; E482-Q486 PolarHBondContact O-N 2.9Å
483	G	98.9	Very high	98.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61.2	-31.8	177.2	0	0	0	0	0	112.5	A474 E476 W477 Y480 Q486 A487	A474-G483 VanDerWaalsContact CB-CA 3.44Å; A474-G483 WeakPolarHBondContact CB-O 3.5Å; E476-G483 WeakPolarHBondContact O-CA 3.27Å; W477-G483 VanDerWaalsContact O-CA 3.31Å; W477-G483 WeakPolarHBondContact O-CA 3.19Å; W477-G483 PolarHBondContact O-N 3.43Å; Y480-G483 PolarHBondContact O-N 2.82Å; G483-Q486 PolarHBondContact O-N 3.06Å; G483-A487 VanDerWaalsContact O-CB 3.22Å; G483-A487 WeakPolarHBondContact O-CB 3.24Å; G483-A487 PolarHBondContact O-N 2.95Å
484	A	98.9	Very high	98.8	Very high	10 Å²	10	11.8 Å²	11.8	8%	0.083	6%	0.058	C	C	.	.	H	α-helix	trans	-61.8	-45.6	174.4	0	0	0	0	0	111.4	I59 S60 T471 Y480 M481 E482 G488	I59-A484 HydrophobicContact CB-CB 3.95Å; I59-A484 HydrophobicContact CG2-CB 3.85Å; S60-A484 WeakPolarHBondContact CA-O 3.22Å; S60-A484 WeakPolarHBondContact CB-O 3.37Å; S60-A484 PolarHBondContact OG-O 3.14Å; T471-A484 PolarHBondContact OG1-N 3.15Å; Y480-A484 PolarHBondContact O-N 3.41Å; Y480-A484 VanDerWaalsContact O-N 3.1Å; M481-A484 VanDerWaalsContact O-CB 3.3Å; M481-A484 WeakPolarHBondContact O-CB 3.21Å; M481-A484 PolarHBondContact O-N 3.33Å; E482-A484 PolarHBondContact O-N 3.3Å; A484-G488 PolarHBondContact O-N 3.43Å
485	V	98.9	Very high	98.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.8	-50.3	176.3	-175.3	0	0	0	0	110.5	I59 R112 I113 L116 M481 E482 A487 G488 E489	I59-V485 HydrophobicContact CG2-CG2 3.53Å; R112-V485 HydrophobicContact CB-CB 3.99Å; R112-V485 HydrophobicContact CB-CG1 3.72Å; I113-V485 HydrophobicContact CB-CG2 4.35Å; I113-V485 HydrophobicContact CD1-CG2 3.96Å; L116-V485 HydrophobicContact CD1-CB 4.35Å; L116-V485 HydrophobicContact CD1-CG1 3.85Å; L116-V485 HydrophobicContact CD1-CG2 3.47Å; L116-V485 VanDerWaalsContact CD1-CG2 3.47Å; M481-V485 WeakPolarHBondContact O-CG2 3.11Å; M481-V485 PolarHBondContact O-N 2.75Å; M481-V485 VanDerWaalsContact O-N 3.12Å; E482-V485 PolarHBondContact O-N 3.11Å; E482-V485 VanDerWaalsContact O-N 3.09Å; V485-A487 VanDerWaalsContact C-N 3.33Å; V485-A487 PolarHBondContact O-N 2.78Å; V485-G488 PolarHBondContact O-N 3.24Å; V485-E489 HydrophobicContact CG1-CG 4.2Å; V485-E489 WeakPolarHBondContact O-CG 3.47Å; V485-E489 PolarHBondContact O-N 3.09Å
486	Q	98.9	Very high	98.9	Very high	18 Å²	18	11.8 Å²	11.8	8%	0.084	6%	0.057	C	C	.	.	H	α-helix	trans	-54.5	-49.3	179.6	-169.9	-160.4	57.1	0	0	111.5	A474 S475 E476 E482 G483 R490	A474-Q486 VanDerWaalsContact CA-OE1 3.31Å; A474-Q486 VanDerWaalsContact CB-OE1 3.29Å; S475-Q486 PolarHBondContact OG-NE2 2.93Å; S475-Q486 PolarHBondContact OG-OE1 3.4Å; E476-Q486 PolarHBondContact OE2-NE2 3.14Å; E482-Q486 PolarHBondContact O-N 2.9Å; G483-Q486 PolarHBondContact O-N 3.06Å; Q486-R490 VanDerWaalsContact O-CB 3.24Å; Q486-R490 WeakPolarHBondContact O-CB 3.33Å; Q486-R490 PolarHBondContact O-N 3.11Å
487	A	98.9	Very high	98.9	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-65.5	-40.2	-179.7	0	0	0	0	0	113.3	G470 T473 A474 G483 V485 A491	G470-A487 WeakPolarHBondContact O-CB 3.45Å; T473-A487 WeakPolarHBondContact OG1-CB 3.46Å; A474-A487 HydrophobicContact CB-CB 4.46Å; G483-A487 VanDerWaalsContact O-CB 3.22Å; G483-A487 WeakPolarHBondContact O-CB 3.24Å; G483-A487 PolarHBondContact O-N 2.95Å; V485-A487 VanDerWaalsContact C-N 3.33Å; V485-A487 PolarHBondContact O-N 2.78Å; A487-A491 WeakPolarHBondContact O-CB 3.4Å; A487-A491 PolarHBondContact O-N 3.31Å
488	G	98.9	Very high	98.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65	-51.1	179.7	0	0	0	0	0	111.8	S60 A64 A484 V485 A491 A492	S60-G488 VanDerWaalsContact O-CA 3.22Å; S60-G488 WeakPolarHBondContact O-CA 3.41Å; S60-G488 WeakPolarHBondContact OG-CA 3.23Å; S60-G488 PolarHBondContact OG-N 2.68Å; A64-G488 WeakPolarHBondContact CA-O 3.3Å; A64-G488 VanDerWaalsContact CB-O 3.23Å; A64-G488 WeakPolarHBondContact CB-O 3.38Å; A484-G488 PolarHBondContact O-N 3.43Å; V485-G488 PolarHBondContact O-N 3.24Å; G488-A491 PolarHBondContact O-N 3.13Å; G488-A492 PolarHBondContact O-N 3.37Å
489	E	98.9	Very high	98.8	Very high	16 Å²	16	13.7 Å²	13.7	8%	0.075	8%	0.076	C	C	.	.	H	α-helix	trans	-66.3	-38.1	178.3	-63.7	-172.8	-178.6	0	0	112.1	L67 R115 V485 A492 R493	L67-E489 HydrophobicContact CD2-CB 3.89Å; L67-E489 HydrophobicContact CD2-CG 4.26Å; R115-E489 IonicContact NH2-OE1 2.82Å; R115-E489 PolarHBondContact NH2-OE1 3.38Å; R115-E489 VanDerWaalsContact NH2-OE1 3.16Å; V485-E489 HydrophobicContact CG1-CG 4.2Å; V485-E489 WeakPolarHBondContact O-CG 3.47Å; V485-E489 PolarHBondContact O-N 3.09Å; E489-A492 PolarHBondContact O-N 3.48Å; E489-R493 VanDerWaalsContact CB-NH1 3.3Å; E489-R493 WeakPolarHBondContact O-CG 3.31Å; E489-R493 PolarHBondContact O-N 3.31Å; E489-R493 IonicContact OE2-CZ 2.8Å; E489-R493 IonicContact OE2-NH1 3.93Å; E489-R493 IonicContact OE2-NH2 3.15Å; E489-R493 PolarHBondContact OE2-NH2 3.35Å
490	R	98.9	Very high	98.8	Very high	10 Å²	10	16.4 Å²	16.4	4%	0.038	10%	0.104	C	C	.	.	H	α-helix	trans	-59.3	-51.7	173.6	-178.6	-150	59.8	-114.9	-5.2	110.9	F468 T473 Q486 A492 R493 E494 I507	F468-R490 PolarHBondContact O-NH2 2.98Å; T473-R490 PolarHBondContact O-NH1 2.64Å; T473-R490 PolarHBondContact OG1-NH2 2.84Å; Q486-R490 VanDerWaalsContact O-CB 3.24Å; Q486-R490 WeakPolarHBondContact O-CB 3.33Å; Q486-R490 PolarHBondContact O-N 3.11Å; R490-A492 VanDerWaalsContact C-N 3.28Å; R490-A492 PolarHBondContact O-N 2.75Å; R490-R493 CarbonylContact O-C 3.58Å; R490-R493 WeakPolarHBondContact O-CA 3.47Å; R490-R493 PolarHBondContact O-N 3.35Å; R490-E494 VanDerWaalsContact CD-OE1 3.31Å; R490-E494 WeakPolarHBondContact CD-OE1 3.44Å; R490-E494 HydrophobicContact CG-CG 4.4Å; R490-E494 IonicContact NE-OE1 3.99Å; R490-E494 PolarHBondContact NE-OE1 2.77Å; R490-E494 IonicContact NE-OE2 2.65Å; R490-E494 WeakPolarHBondContact O-CG 3.48Å; R490-E494 PolarHBondContact O-N 3.01Å; R490-I507 HydrophobicContact CG-CG2 3.86Å
491	A	98.9	Very high	98.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.9	-37.7	-179.4	0	0	0	0	0	112.3	V306 A469 A487 G488 E494 V495	V306-A491 HydrophobicContact CG1-CB 3.94Å; A469-A491 HydrophobicContact CB-CB 3.78Å; A487-A491 WeakPolarHBondContact O-CB 3.4Å; A487-A491 PolarHBondContact O-N 3.31Å; G488-A491 PolarHBondContact O-N 3.13Å; A491-E494 WeakPolarHBondContact CA-OE2 3.28Å; A491-E494 PolarHBondContact O-N 3.01Å; A491-V495 WeakPolarHBondContact O-CG2 3.48Å; A491-V495 PolarHBondContact O-N 2.83Å; A491-V495 VanDerWaalsContact O-N 3.08Å
492	A	98.9	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.4	-43.9	171.6	0	0	0	0	0	112.2	A64 L67 L68 G488 E489 R490 V495 L496	A64-A492 HydrophobicContact CB-CB 4.2Å; L67-A492 HydrophobicContact CB-CB 4.17Å; L67-A492 HydrophobicContact CD2-CB 3.99Å; L67-A492 HydrophobicContact CG-CB 4.24Å; L68-A492 HydrophobicContact CD1-CB 4.31Å; L68-A492 HydrophobicContact CD2-CB 3.94Å; L68-A492 HydrophobicContact CG-CB 3.74Å; G488-A492 PolarHBondContact O-N 3.37Å; E489-A492 PolarHBondContact O-N 3.48Å; R490-A492 VanDerWaalsContact C-N 3.28Å; R490-A492 PolarHBondContact O-N 2.75Å; A492-V495 PolarHBondContact O-N 2.89Å; A492-L496 VanDerWaalsContact O-CG 3.3Å; A492-L496 WeakPolarHBondContact O-CG 3.31Å; A492-L496 PolarHBondContact O-N 2.74Å
493	R	98.9	Very high	98.7	Very high	32 Å²	32	27 Å²	27	12%	0.121	15%	0.154	C	C	.	.	H	α-helix	trans	-67	-34.8	176.3	-67.2	-176.6	-165	97.1	3	112.6	L67 E489 R490 V495 L496 C497 I502 Q506 I507	L67-R493 HydrophobicContact CD2-CG 3.81Å; E489-R493 VanDerWaalsContact CB-NH1 3.3Å; E489-R493 WeakPolarHBondContact O-CG 3.31Å; E489-R493 PolarHBondContact O-N 3.31Å; E489-R493 IonicContact OE2-CZ 2.8Å; E489-R493 IonicContact OE2-NH1 3.93Å; E489-R493 IonicContact OE2-NH2 3.15Å; E489-R493 PolarHBondContact OE2-NH2 3.35Å; R490-R493 CarbonylContact O-C 3.58Å; R490-R493 WeakPolarHBondContact O-CA 3.47Å; R490-R493 PolarHBondContact O-N 3.35Å; R493-V495 VanDerWaalsContact C-N 3.34Å; R493-V495 PolarHBondContact O-N 2.89Å; R493-L496 PolarHBondContact O-N 3.24Å; R493-C497 WeakPolarHBondContact O-CB 3.48Å; R493-C497 PolarHBondContact O-N 3.4Å; R493-I502 HydrophobicContact CB-CD1 3.69Å; R493-I502 HydrophobicContact CG-CD1 4.16Å; R493-I502 VanDerWaalsContact O-CD1 3.27Å; R493-I502 WeakPolarHBondContact O-CD1 3.36Å; R493-Q506 VanDerWaalsContact CD-O 3.28Å; R493-Q506 WeakPolarHBondContact CD-O 3.49Å; R493-I507 WeakPolarHBondContact CD-O 3.2Å
494	E	98.9	Very high	98.6	Very high	24 Å²	24	33.8 Å²	33.8	11%	0.112	19%	0.186	C	C	.	.	H	α-helix	trans	-60	-44.7	172	-68.2	168.2	167.8	0	0	111.2	Y467 R490 A491 C497 A498 I507	Y467-E494 HydrophobicContact CD1-CB 3.39Å; Y467-E494 HydrophobicContact CD1-CG 4.32Å; Y467-E494 WeakPolarHBondContact CD1-OE2 3.3Å; Y467-E494 HydrophobicContact CE1-CB 3.52Å; Y467-E494 HydrophobicContact CG-CB 4.41Å; R490-E494 VanDerWaalsContact CD-OE1 3.31Å; R490-E494 WeakPolarHBondContact CD-OE1 3.44Å; R490-E494 HydrophobicContact CG-CG 4.4Å; R490-E494 IonicContact NE-OE1 3.99Å; R490-E494 PolarHBondContact NE-OE1 2.77Å; R490-E494 IonicContact NE-OE2 2.65Å; R490-E494 WeakPolarHBondContact O-CG 3.48Å; R490-E494 PolarHBondContact O-N 3.01Å; A491-E494 WeakPolarHBondContact CA-OE2 3.28Å; A491-E494 PolarHBondContact O-N 3.01Å; E494-C497 WeakPolarHBondContact O-CB 3.38Å; E494-C497 PolarHBondContact O-N 3.17Å; E494-A498 PolarHBondContact O-N 3.2Å; E494-I507 HydrophobicContact CG-CD1 4.32Å; E494-I507 HydrophobicContact CG-CG2 3.61Å
495	V	98.9	Very high	98.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-45.8	173.5	173.1	0	0	0	0	111.4	V52 L68 Y304 V306 Y467 A491 A492 R493 C497 A498 M499	V52-V495 HydrophobicContact CG2-CG1 3.78Å; L68-V495 HydrophobicContact CD2-CB 4.34Å; L68-V495 HydrophobicContact CD2-CG1 4.24Å; Y304-V495 HydrophobicContact CD2-CG1 3.93Å; Y304-V495 HydrophobicContact CG-CG1 3.98Å; V306-V495 HydrophobicContact CG2-CG2 3.98Å; Y467-V495 HydrophobicContact CD1-CG2 4.49Å; Y467-V495 HydrophobicContact CD2-CG2 3.5Å; Y467-V495 VanDerWaalsContact CD2-CG2 3.5Å; Y467-V495 HydrophobicContact CE2-CG2 4.03Å; Y467-V495 HydrophobicContact CG-CG2 3.77Å; A491-V495 WeakPolarHBondContact O-CG2 3.48Å; A491-V495 PolarHBondContact O-N 2.83Å; A491-V495 VanDerWaalsContact O-N 3.08Å; A492-V495 PolarHBondContact O-N 2.89Å; R493-V495 VanDerWaalsContact C-N 3.34Å; R493-V495 PolarHBondContact O-N 2.89Å; V495-C497 VanDerWaalsContact C-N 3.27Å; V495-C497 PolarHBondContact O-N 3.47Å; V495-A498 PolarHBondContact O-N 3.04Å; V495-M499 HydrophobicContact CG1-CG 4.47Å; V495-M499 HydrophobicContact CG1-SD 4Å; V495-M499 VanDerWaalsContact O-CG 3.31Å; V495-M499 WeakPolarHBondContact O-CG 3.18Å; V495-M499 PolarHBondContact O-N 2.78Å
496	L	98.8	Very high	98.4	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-59.4	-39	176.5	-68.1	170.5	0	0	0	112	L68 S71 L73 A492 R493 M499 G500 K501 I502	L68-L496 HydrophobicContact CD2-CD2 4.4Å; L68-L496 HydrophobicContact CD2-CG 4.29Å; S71-L496 WeakPolarHBondContact OG-CD1 3.28Å; L73-L496 HydrophobicContact CD1-CD2 3.61Å; L73-L496 HydrophobicContact CG-CD2 4.29Å; A492-L496 VanDerWaalsContact O-CG 3.3Å; A492-L496 WeakPolarHBondContact O-CG 3.31Å; A492-L496 PolarHBondContact O-N 2.74Å; R493-L496 PolarHBondContact O-N 3.24Å; L496-M499 CarbonylContact O-C 3.46Å; L496-M499 PolarHBondContact O-N 3.15Å; L496-G500 PolarHBondContact O-N 2.77Å; L496-K501 HydrophobicContact CB-CB 4.32Å; L496-K501 HydrophobicContact CD2-CB 4.29Å; L496-K501 HydrophobicContact CD2-CD 3.67Å; L496-K501 WeakPolarHBondContact O-CB 3.3Å; L496-K501 PolarHBondContact O-N 3.31Å; L496-I502 HydrophobicContact CB-CD1 4.01Å; L496-I502 HydrophobicContact CB-CG1 3.86Å; L496-I502 HydrophobicContact CB-CG2 4.34Å
497	C	98.7	Very high	98.4	Very high	33 Å²	33	41.7 Å²	41.7	22%	0.223	23%	0.231	C	C	.	.	H	α-helix	trans	-65.1	-45.2	176.3	-173.2	0	0	0	0	110.9	R493 E494 V495 M499 G500 I502 I507	R493-C497 WeakPolarHBondContact O-CB 3.48Å; R493-C497 PolarHBondContact O-N 3.4Å; E494-C497 WeakPolarHBondContact O-CB 3.38Å; E494-C497 PolarHBondContact O-N 3.17Å; V495-C497 VanDerWaalsContact C-N 3.27Å; V495-C497 PolarHBondContact O-N 3.47Å; C497-M499 PolarHBondContact O-N 2.59Å; C497-G500 PolarHBondContact O-N 2.88Å; C497-I502 HydrophobicContact CB-CD1 4.44Å; C497-I502 HydrophobicContact CB-CG1 3.9Å; C497-I507 HydrophobicContact CB-CD1 3.94Å; C497-I507 HydrophobicContact CB-CG1 4.05Å
498	A	98.3	Very high	98.2	Very high	42 Å²	42	47 Å²	47	35%	0.347	26%	0.256	S	S	.	.	H	α-helix	trans	-63.4	-27.4	176.6	0	0	0	0	0	113	Y304 Y467 E494 V495 G500	Y304-A498 HydrophobicContact CE1-CB 4.03Å; Y304-A498 PolarHBondContact OH-O 2.71Å; Y467-A498 WeakPolarHBondContact OH-CB 2.94Å; E494-A498 PolarHBondContact O-N 3.2Å; V495-A498 PolarHBondContact O-N 3.04Å; A498-G500 VanDerWaalsContact C-N 3.29Å
499	M	97.7	Very high	98.1	Very high	32 Å²	32	51.4 Å²	51.4	16%	0.158	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	1.3	172.8	-66.4	-179.9	88.7	0	0	113.8	L73 Y304 V495 L496 C497 K501	L73-M499 HydrophobicContact CD1-CE 4.35Å; L73-M499 HydrophobicContact CD1-SD 3.61Å; L73-M499 HydrophobicContact CD2-CE 3.62Å; L73-M499 HydrophobicContact CD2-SD 3.96Å; L73-M499 HydrophobicContact CG-SD 4.46Å; Y304-M499 HydrophobicContact CD2-CG 4.01Å; Y304-M499 HydrophobicContact CD2-SD 4.2Å; Y304-M499 HydrophobicContact CE2-CG 3.47Å; Y304-M499 VanDerWaalsContact CE2-CG 3.47Å; Y304-M499 HydrophobicContact CE2-SD 4.23Å; V495-M499 HydrophobicContact CG1-CG 4.47Å; V495-M499 HydrophobicContact CG1-SD 4Å; V495-M499 VanDerWaalsContact O-CG 3.31Å; V495-M499 WeakPolarHBondContact O-CG 3.18Å; V495-M499 PolarHBondContact O-N 2.78Å; L496-M499 CarbonylContact O-C 3.46Å; L496-M499 PolarHBondContact O-N 3.15Å; C497-M499 PolarHBondContact O-N 2.59Å; M499-K501 VanDerWaalsContact C-N 3.25Å; M499-K501 HydrophobicContact CB-CG 4.33Å; M499-K501 PolarHBondContact O-N 2.98Å
500	G	97.9	Very high	97.9	Very high	67 Å²	67	56.2 Å²	56.2	69%	0.691	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	17.4	-178.1	0	0	0	0	0	114.5	L496 C497 A498	L496-G500 PolarHBondContact O-N 2.77Å; C497-G500 PolarHBondContact O-N 2.88Å; A498-G500 VanDerWaalsContact C-N 3.29Å
501	K	98.1	Very high	97.8	Very high	112 Å²	112	57.8 Å²	57.8	49%	0.487	32%	0.317	S	S	.	.	S	Bend	trans	-84.3	-24.9	179.9	-71.6	-177.3	170.7	-73.2	0	113.4	L73 L496 M499	L73-K501 HydrophobicContact CD2-CD 4.26Å; L73-K501 VanDerWaalsContact CD2-CE 3.42Å; L496-K501 HydrophobicContact CB-CB 4.32Å; L496-K501 HydrophobicContact CD2-CB 4.29Å; L496-K501 HydrophobicContact CD2-CD 3.67Å; L496-K501 WeakPolarHBondContact O-CB 3.3Å; L496-K501 PolarHBondContact O-N 3.31Å; M499-K501 VanDerWaalsContact C-N 3.25Å; M499-K501 HydrophobicContact CB-CG 4.33Å; M499-K501 PolarHBondContact O-N 2.98Å
502	I	98.4	Very high	97.8	Very high	39 Å²	39	62.4 Å²	62.4	20%	0.2	35%	0.347	C	S	.	.	S	Bend	trans	-138.2	160.8	177.9	67.5	168.7	0	0	0	110.5	R493 L496 C497 Q506	R493-I502 HydrophobicContact CB-CD1 3.69Å; R493-I502 HydrophobicContact CG-CD1 4.16Å; R493-I502 VanDerWaalsContact O-CD1 3.27Å; R493-I502 WeakPolarHBondContact O-CD1 3.36Å; L496-I502 HydrophobicContact CB-CD1 4.01Å; L496-I502 HydrophobicContact CB-CG1 3.86Å; L496-I502 HydrophobicContact CB-CG2 4.34Å; C497-I502 HydrophobicContact CB-CD1 4.44Å; C497-I502 HydrophobicContact CB-CG1 3.9Å; I502-Q506 HydrophobicContact CB-CB 4.4Å; I502-Q506 VanDerWaalsContact CB-OE1 3.29Å; I502-Q506 HydrophobicContact CD1-CB 4.22Å
503	H	98.1	Very high	97.7	Very high	125 Å²	125	66.9 Å²	66.9	58%	0.579	37%	0.367	S	S	*	.			trans	-83.1	153.2	174.2	-173.8	-99	0	0	0	111.5	S505 Q506	H503-S505 PolarHBondContact ND1-N 3.01Å; H503-S505 PolarHBondContact ND1-OG 3.37Å; H503-S505 PolarHBondContact O-N 3.49Å; H503-S505 VanDerWaalsContact O-N 3.14Å; H503-Q506 WeakPolarHBondContact O-CB 3.4Å; H503-Q506 PolarHBondContact O-N 2.82Å
504	Q	97.2	Very high	97.7	Very high	144 Å²	144	66.4 Å²	66.4	67%	0.673	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-55.2	-35.4	-178.5	-171.1	179.4	11.5	0	0	113.3	Q506 I507	Q504-Q506 PolarHBondContact O-N 2.86Å; Q504-Q506 VanDerWaalsContact O-N 3.13Å; Q504-I507 HydrophobicContact CG-CD1 4.04Å; Q504-I507 WeakPolarHBondContact O-CB 3.42Å; Q504-I507 WeakPolarHBondContact O-CG1 3.47Å; Q504-I507 PolarHBondContact O-N 3.45Å
505	S	97.2	Very high	97.5	Very high	90 Å²	90	73.1 Å²	73.1	63%	0.629	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-64.5	-13.6	177.1	62.6	0	0	0	0	114.2	H503	H503-S505 PolarHBondContact ND1-N 3.01Å; H503-S505 PolarHBondContact ND1-OG 3.37Å; H503-S505 PolarHBondContact O-N 3.49Å; H503-S505 VanDerWaalsContact O-N 3.14Å
506	Q	97.5	Very high	97.4	Very high	85 Å²	85	78.3 Å²	78.3	40%	0.397	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-95.3	-3.1	-179	-61.4	176.6	-16.3	0	0	112.9	R493 I502 H503 Q504 Q509	R493-Q506 VanDerWaalsContact CD-O 3.28Å; R493-Q506 WeakPolarHBondContact CD-O 3.49Å; I502-Q506 HydrophobicContact CB-CB 4.4Å; I502-Q506 VanDerWaalsContact CB-OE1 3.29Å; I502-Q506 HydrophobicContact CD1-CB 4.22Å; H503-Q506 WeakPolarHBondContact O-CB 3.4Å; H503-Q506 PolarHBondContact O-N 2.82Å; Q504-Q506 PolarHBondContact O-N 2.86Å; Q504-Q506 VanDerWaalsContact O-N 3.13Å; Q506-Q509 WeakPolarHBondContact O-CG 3.34Å; Q506-Q509 PolarHBondContact O-NE2 3Å
507	I	97.9	Very high	97.3	Very high	19 Å²	19	78.1 Å²	78.1	10%	0.097	42%	0.424	C	S	.	.	S	Bend	trans	-64.3	-48.4	179.8	-67.4	171.5	0	0	0	111.1	R490 R493 E494 C497 Q504	R490-I507 HydrophobicContact CG-CG2 3.86Å; R493-I507 WeakPolarHBondContact CD-O 3.2Å; E494-I507 HydrophobicContact CG-CD1 4.32Å; E494-I507 HydrophobicContact CG-CG2 3.61Å; C497-I507 HydrophobicContact CB-CD1 3.94Å; C497-I507 HydrophobicContact CB-CG1 4.05Å; Q504-I507 HydrophobicContact CG-CD1 4.04Å; Q504-I507 WeakPolarHBondContact O-CB 3.42Å; Q504-I507 WeakPolarHBondContact O-CG1 3.47Å; Q504-I507 PolarHBondContact O-N 3.45Å
508	H	96	Very high	97.2	Very high	110 Å²	110	79.8 Å²	79.8	51%	0.509	43%	0.434	S	S	.	.	S	Bend	trans	-94.5	115.5	177.7	-65.3	-90.6	0	0	0	109
509	Q	95.1	Very high	97.2	Very high	93 Å²	93	79.1 Å²	79.1	44%	0.435	43%	0.429	S	S	.	.			trans	-117	131.6	176.4	-59.5	-153.3	4.1	0	0	110.7	R112 Q506	R112-Q509 PolarHBondContact NH2-O 2.95Å; Q506-Q509 WeakPolarHBondContact O-CG 3.34Å; Q506-Q509 PolarHBondContact O-NE2 3Å
510	P	95.4	Very high	97.1	Very high	117 Å²	117	82.7 Å²	82.7	76%	0.76	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-67.1	150.4	169.5	31.1	-33.9	0	0	0	109.2
511	E	97.9	Very high	96.9	Very high	44 Å²	44	84.4 Å²	84.4	21%	0.206	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-101.7	129.1	173.8	-175	65.8	-149.3	0	0	109.1	N111 R112 R115	N111-E511 HydrophobicContact CB-CB 4.13Å; N111-E511 HydrophobicContact CB-CG 3.47Å; N111-E511 VanDerWaalsContact CB-CG 3.47Å; R112-E511 HydrophobicContact CB-CG 4.36Å; R112-E511 HydrophobicContact CG-CB 3.63Å; R112-E511 HydrophobicContact CG-CG 3.55Å; R115-E511 VanDerWaalsContact CD-OE1 3.29Å; R115-E511 WeakPolarHBondContact CD-OE1 3.47Å
512	P	97.9	Very high	96.7	Very high	96 Å²	96	82 Å²	82	62%	0.623	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-56.6	146.9	172.5	-25	35	0	0	0	112.4	N111 S514	N111-P512 WeakPolarHBondContact CB-O 3.44Å; P512-S514 PolarHBondContact O-N 3.01Å
513	E	97.8	Very high	96.3	Very high	94 Å²	94	86.2 Å²	86.2	44%	0.439	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-66.2	135.9	178	-170.4	176.1	177.2	0	0	112	Q515 P518 A519	E513-Q515 PolarHBondContact O-N 3.13Å; E513-Q515 PolarHBondContact O-NE2 3.38Å; E513-P518 WeakPolarHBondContact OE1-CA 3.43Å; E513-A519 PolarHBondContact OE1-N 3.29Å
514	S	97.5	Very high	96	Very high	23 Å²	23	83.7 Å²	83.7	16%	0.161	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-64.3	120.6	174.7	-180	0	0	0	0	111.3	N111 P512 E516 V517	N111-S514 PolarHBondContact OD1-N 3.38Å; P512-S514 PolarHBondContact O-N 3.01Å; S514-E516 VanDerWaalsContact C-N 3.26Å; S514-E516 PolarHBondContact O-N 3.08Å; S514-E516 PolarHBondContact OG-N 3.3Å; S514-V517 CarbonylContact O-C 3.38Å; S514-V517 PolarHBondContact OG-N 2.73Å
515	Q	95.9	Very high	95.8	Very high	165 Å²	165	79 Å²	79	77%	0.771	44%	0.44	S	S	*	.	S	Bend	trans	-70.6	-22.7	176	-58.5	-58.5	-49.4	0	0	112.9	E513	E513-Q515 PolarHBondContact O-N 3.13Å; E513-Q515 PolarHBondContact O-NE2 3.38Å
516	E	95.3	Very high	95.8	Very high	109 Å²	109	80.3 Å²	80.3	51%	0.509	44%	0.435	S	S	.	.	S	Bend	trans	-88.9	-22	-177.9	-69.7	168.9	-145.2	0	0	112.6	K118 S514	K118-E516 WeakPolarHBondContact CD-OE1 3.4Å; K118-E516 WeakPolarHBondContact CE-OE1 3.37Å; K118-E516 IonicContact NZ-OE1 2.74Å; K118-E516 PolarHBondContact NZ-OE1 2.87Å; S514-E516 VanDerWaalsContact C-N 3.26Å; S514-E516 PolarHBondContact O-N 3.08Å; S514-E516 PolarHBondContact OG-N 3.3Å
517	V	97.8	Very high	95.7	Very high	2 Å²	2	84 Å²	84	1%	0.012	45%	0.445	C	S	.	.	S	Bend	trans	-137.3	66	-178.6	-167.8	0	0	0	0	108.8	P108 L114 S514	P108-V517 HydrophobicContact CB-CG1 4.37Å; P108-V517 HydrophobicContact CG-CG1 3.88Å; L114-V517 HydrophobicContact CD1-CB 3.83Å; L114-V517 HydrophobicContact CD1-CG1 4.27Å; L114-V517 HydrophobicContact CD1-CG2 4.22Å; L114-V517 HydrophobicContact CD2-CB 4.3Å; L114-V517 HydrophobicContact CD2-CG2 3.76Å; S514-V517 CarbonylContact O-C 3.38Å; S514-V517 PolarHBondContact OG-N 2.73Å
518	P	97	Very high	95.4	Very high	67 Å²	67	86.6 Å²	86.6	44%	0.435	46%	0.457	S	S	.	.			trans	-66.8	148	-178.2	29.2	-35.8	0	0	0	111.1	E513	E513-P518 WeakPolarHBondContact OE1-CA 3.43Å
519	A	97	Very high	95.4	Very high	28 Å²	28	88.1 Å²	88.1	23%	0.231	46%	0.458	C	S	.	.			trans	-88.3	114.5	177.8	0	0	0	0	0	111	P108 T109 E513	P108-A519 HydrophobicContact CB-CB 3.79Å; T109-A519 HydrophobicContact CG2-CB 3.5Å; T109-A519 VanDerWaalsContact CG2-CB 3.5Å; E513-A519 PolarHBondContact OE1-N 3.29Å
520	L	96.1	Very high	95.5	Very high	108 Å²	108	88.3 Å²	88.3	57%	0.565	46%	0.462	S	S	*	.			trans	-83.7	141.7	171.1	-54.8	175.9	0	0	0	109.7	R242 N248	R242-L520 PolarHBondContact NH1-O 3.3Å; R242-L520 PolarHBondContact NH2-O 2.94Å; N248-L520 PolarHBondContact ND2-O 3.34Å; N248-L520 WeakPolarHBondContact OD1-CB 3.5Å; N248-L520 PolarHBondContact OD1-N 2.75Å; N248-L520 PolarHBondContact OD1-O 3.39Å
521	P	93.9	Very high	95.5	Very high	102 Å²	102	84.3 Å²	84.3	66%	0.662	43%	0.434	S	S	*	.			trans	-67.2	142.1	174.4	28.2	-33.7	0	0	0	110.6	V523	P521-V523 PolarHBondContact O-N 3.09Å
522	F	93.7	Very high	95.4	Very high	63 Å²	63	84 Å²	84	28%	0.276	44%	0.436	S	S	.	.			trans	-82.7	111.2	165.8	-73	-76.2	0	0	0	108.5	M241 R242 N248	M241-F522 HydrophobicContact CB-CB 4.19Å; M241-F522 HydrophobicContact CB-CD1 3.74Å; M241-F522 HydrophobicContact CB-CD2 3.78Å; M241-F522 HydrophobicContact CB-CE1 3.98Å; M241-F522 HydrophobicContact CB-CE2 4.02Å; M241-F522 HydrophobicContact CB-CG 3.63Å; M241-F522 HydrophobicContact CB-CZ 4.11Å; M241-F522 HydrophobicContact CE-CD1 3.67Å; M241-F522 HydrophobicContact CE-CE1 3.85Å; M241-F522 HydrophobicContact CG-CB 4.45Å; M241-F522 HydrophobicContact CG-CD1 4.26Å; M241-F522 HydrophobicContact CG-CG 4.29Å; R242-F522 HydrophobicContact CB-CD2 4.48Å; R242-F522 HydrophobicContact CB-CE2 3.92Å; N248-F522 HydrophobicContact CB-CE1 4.44Å; N248-F522 HydrophobicContact CB-CZ 4.1Å; N248-F522 WeakPolarHBondContact ND2-CZ 3.47Å; N248-F522 WeakPolarHBondContact O-CE2 3.47Å; N248-F522 VanDerWaalsContact O-CZ 3.24Å; N248-F522 WeakPolarHBondContact O-CZ 3.35Å
523	V	91.1	Very high	95.4	Very high	126 Å²	126	81 Å²	81	76%	0.764	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-86.8	122.8	-179.2	-176.5	0	0	0	0	109.1	P521	P521-V523 PolarHBondContact O-N 3.09Å
524	T	90.8	Very high	95.3	Very high	72 Å²	72	76.9 Å²	76.9	44%	0.442	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-86.1	131.6	170.9	51.9	0	0	0	0	110.4	R529	T524-R529 PolarHBondContact O-NE 2.97Å; T524-R529 PolarHBondContact O-NH2 2.93Å; T524-R529 WeakPolarHBondContact OG1-CD 3.47Å; T524-R529 WeakPolarHBondContact OG1-CG 3.34Å
525	S	93.9	Very high	95.2	Very high	45 Å²	45	76.5 Å²	76.5	32%	0.315	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-67.5	168.3	176.5	67.3	0	0	0	0	111.9	W527 E528 R529	S525-W527 VanDerWaalsContact C-N 3.27Å; S525-W527 PolarHBondContact O-N 2.97Å; S525-E528 VanDerWaalsContact CB-OE2 3.26Å; S525-E528 WeakPolarHBondContact CB-OE2 3.21Å; S525-E528 PolarHBondContact N-OE2 3.07Å; S525-E528 WeakPolarHBondContact OG-CB 3.43Å; S525-E528 VanDerWaalsContact OG-CD 3.25Å; S525-E528 VanDerWaalsContact OG-CG 3.27Å; S525-E528 WeakPolarHBondContact OG-CG 3.43Å; S525-E528 PolarHBondContact OG-N 3.37Å; S525-E528 VanDerWaalsContact OG-N 3.11Å; S525-E528 PolarHBondContact OG-OE2 2.78Å; S525-R529 WeakPolarHBondContact O-CG 3.49Å; S525-R529 PolarHBondContact O-N 3.04Å; S525-R529 PolarHBondContact O-NE 3.48Å
526	F	96.6	Very high	95.2	Very high	119 Å²	119	69.5 Å²	69.5	52%	0.522	37%	0.371	S	S	.	.	H	α-helix	trans	-57	-43.1	170.8	173.2	-96.5	0	0	0	111.5	R529 N530	F526-R529 PolarHBondContact O-N 3.32Å; F526-N530 WeakPolarHBondContact CD2-ND2 3.34Å; F526-N530 HydrophobicContact CE1-CB 4.49Å; F526-N530 HydrophobicContact CE2-CB 4.44Å; F526-N530 WeakPolarHBondContact CE2-ND2 3.44Å; F526-N530 HydrophobicContact CZ-CB 4.26Å; F526-N530 WeakPolarHBondContact O-CB 3.37Å; F526-N530 PolarHBondContact O-N 3.02Å; F526-N530 PolarHBondContact O-ND2 3.45Å
527	W	94.4	Very high	95.2	Very high	161 Å²	161	68 Å²	68	61%	0.61	36%	0.362	S	S	*	.	H	α-helix	trans	-70.6	-43.1	-176.6	-64.3	120.2	0	0	0	112.7	S525 R529 N530 L531	S525-W527 VanDerWaalsContact C-N 3.27Å; S525-W527 PolarHBondContact O-N 2.97Å; W527-R529 PolarHBondContact O-N 2.86Å; W527-N530 PolarHBondContact O-N 3.47Å; W527-L531 HydrophobicContact CB-CD1 3.89Å; W527-L531 HydrophobicContact CB-CG 4.14Å; W527-L531 HydrophobicContact CE3-CD2 4.11Å; W527-L531 HydrophobicContact CE3-CG 4.18Å; W527-L531 WeakPolarHBondContact O-CB 3.39Å; W527-L531 WeakPolarHBondContact O-CG 3.46Å; W527-L531 PolarHBondContact O-N 3.44Å
528	E	93.3	Very high	95.1	Very high	74 Å²	74	71.8 Å²	71.8	35%	0.346	38%	0.382	S	S	.	.	H	α-helix	trans	-59.6	-37.3	177.6	-71.9	158.5	147.9	0	0	111.5	N161 R165 S525	N161-E528 PolarHBondContact ND2-O 3.41Å; N161-E528 VanDerWaalsContact OD1-CA 3.24Å; N161-E528 WeakPolarHBondContact OD1-CA 3.21Å; N161-E528 WeakPolarHBondContact OD1-CB 3.26Å; N161-E528 WeakPolarHBondContact OD1-CG 3.3Å; N161-E528 PolarHBondContact OD1-O 3.13Å; R165-E528 PolarHBondContact NH1-O 3.24Å; S525-E528 VanDerWaalsContact CB-OE2 3.26Å; S525-E528 WeakPolarHBondContact CB-OE2 3.21Å; S525-E528 PolarHBondContact N-OE2 3.07Å; S525-E528 WeakPolarHBondContact OG-CB 3.43Å; S525-E528 VanDerWaalsContact OG-CD 3.25Å; S525-E528 VanDerWaalsContact OG-CG 3.27Å; S525-E528 WeakPolarHBondContact OG-CG 3.43Å; S525-E528 PolarHBondContact OG-N 3.37Å; S525-E528 VanDerWaalsContact OG-N 3.11Å; S525-E528 PolarHBondContact OG-OE2 2.78Å
529	R	95.7	Very high	94.9	Very high	142 Å²	142	76.5 Å²	76.5	54%	0.536	40%	0.396	S	S	.	.	H	α-helix	trans	-72.6	-40	176.8	-71	-179.9	-72.1	-167.3	2.1	113.7	R165 T524 S525 F526 W527	R165-R529 PolarHBondContact NH1-O 3.15Å; R165-R529 VanDerWaalsContact NH1-O 3.08Å; T524-R529 PolarHBondContact O-NE 2.97Å; T524-R529 PolarHBondContact O-NH2 2.93Å; T524-R529 WeakPolarHBondContact OG1-CD 3.47Å; T524-R529 WeakPolarHBondContact OG1-CG 3.34Å; S525-R529 WeakPolarHBondContact O-CG 3.49Å; S525-R529 PolarHBondContact O-N 3.04Å; S525-R529 PolarHBondContact O-NE 3.48Å; F526-R529 PolarHBondContact O-N 3.32Å; W527-R529 PolarHBondContact O-N 2.86Å
530	N	95.8	Very high	94.8	Very high	97 Å²	97	80.2 Å²	80.2	52%	0.519	41%	0.411	S	S	.	.	H	α-helix	trans	-109.5	-12.8	-165.7	-64.6	-81.1	0	0	0	115	F526 W527	F526-N530 WeakPolarHBondContact CD2-ND2 3.34Å; F526-N530 HydrophobicContact CE1-CB 4.49Å; F526-N530 HydrophobicContact CE2-CB 4.44Å; F526-N530 WeakPolarHBondContact CE2-ND2 3.44Å; F526-N530 HydrophobicContact CZ-CB 4.26Å; F526-N530 WeakPolarHBondContact O-CB 3.37Å; F526-N530 PolarHBondContact O-N 3.02Å; F526-N530 PolarHBondContact O-ND2 3.45Å; W527-N530 PolarHBondContact O-N 3.47Å
531	L	96.3	Very high	94.5	Very high	33 Å²	33	77.9 Å²	77.9	17%	0.173	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-61.3	131.7	176.8	-81.5	169.7	0	0	0	110.1	Y157 R165 W527	Y157-L531 HydrophobicContact CD1-CD1 4.11Å; Y157-L531 HydrophobicContact CE1-CD1 3.39Å; R165-L531 VanDerWaalsContact CZ-O 3.29Å; R165-L531 PolarHBondContact NH1-O 2.88Å; R165-L531 PolarHBondContact NH2-O 3.41Å; W527-L531 HydrophobicContact CB-CD1 3.89Å; W527-L531 HydrophobicContact CB-CG 4.14Å; W527-L531 HydrophobicContact CE3-CD2 4.11Å; W527-L531 HydrophobicContact CE3-CG 4.18Å; W527-L531 WeakPolarHBondContact O-CB 3.39Å; W527-L531 WeakPolarHBondContact O-CG 3.46Å; W527-L531 PolarHBondContact O-N 3.44Å
532	P	96.3	Very high	94.4	Very high	37 Å²	37	74.7 Å²	74.7	24%	0.24	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-67.3	154.9	-178.3	30.2	-35.9	0	0	0	110.7	M158 F537 L540	M158-P532 HydrophobicContact SD-CG 4.1Å; P532-F537 HydrophobicContact CB-CB 4.42Å; P532-F537 HydrophobicContact CG-CB 4.03Å; P532-L540 HydrophobicContact CB-CD1 4.27Å; P532-L540 HydrophobicContact CG-CD1 4.32Å
533	S	97	Very high	94.3	Very high	33 Å²	33	75.9 Å²	75.9	23%	0.231	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-62.3	164	160.6	70.5	0	0	0	0	110.1	N162 G535 G536 F537	N162-S533 VanDerWaalsContact CG-CB 3.41Å; N162-S533 VanDerWaalsContact OD1-CB 3.28Å; N162-S533 WeakPolarHBondContact OD1-CB 3.42Å; S533-G535 VanDerWaalsContact C-N 3.26Å; S533-G535 PolarHBondContact O-N 3.28Å; S533-G536 CarbonylContact O-C 3.55Å; S533-G536 WeakPolarHBondContact O-CA 3.37Å; S533-G536 PolarHBondContact O-N 2.79Å; S533-G536 PolarHBondContact OG-N 3.31Å; S533-F537 PolarHBondContact O-N 2.98Å
534	V	96.8	Very high	94.2	Very high	9 Å²	9	73.1 Å²	73.1	6%	0.055	39%	0.386	C	S	.	.	H	α-helix	trans	-56.1	-43.5	174.6	178.1	0	0	0	0	111.2	I155 M158 D159 W202 G536 F537 L538	I155-V534 HydrophobicContact CG2-CG1 4.19Å; I155-V534 HydrophobicContact CG2-CG2 3.9Å; M158-V534 HydrophobicContact CB-CG2 4.42Å; D159-V534 HydrophobicContact CB-CG2 3.75Å; W202-V534 HydrophobicContact CB-CB 4.06Å; W202-V534 HydrophobicContact CB-CG1 4.12Å; W202-V534 HydrophobicContact CB-CG2 4.11Å; W202-V534 HydrophobicContact CD2-CB 3.75Å; W202-V534 HydrophobicContact CD2-CG1 3.56Å; W202-V534 HydrophobicContact CE3-CB 4.3Å; W202-V534 HydrophobicContact CE3-CG1 3.58Å; W202-V534 HydrophobicContact CG-CB 3.6Å; W202-V534 HydrophobicContact CG-CG1 3.79Å; W202-V534 HydrophobicContact CG-CG2 4.14Å; W202-V534 HydrophobicContact CZ3-CG1 4.26Å; V534-G536 VanDerWaalsContact C-N 3.35Å; V534-G536 PolarHBondContact O-N 3.04Å; V534-F537 WeakPolarHBondContact O-CB 3.44Å; V534-F537 PolarHBondContact O-N 3.01Å; V534-L538 HydrophobicContact CG1-CD1 4.39Å; V534-L538 WeakPolarHBondContact O-CG 3.42Å; V534-L538 PolarHBondContact O-N 3.41Å
535	G	94.6	Very high	94.1	Very high	14 Å²	14	72.5 Å²	72.5	14%	0.144	39%	0.388	C	S	.	.	H	α-helix	trans	-63	-38.5	174.2	0	0	0	0	0	113.3	W202 S533 L538 K539	W202-G535 VanDerWaalsContact CZ2-CA 3.45Å; S533-G535 VanDerWaalsContact C-N 3.26Å; S533-G535 PolarHBondContact O-N 3.28Å; G535-L538 PolarHBondContact O-N 3.14Å; G535-K539 WeakPolarHBondContact O-CG 3.38Å; G535-K539 PolarHBondContact O-N 3.41Å
536	G	95.8	Very high	93.9	Very high	19 Å²	19	75.1 Å²	75.1	20%	0.196	40%	0.402	C	S	.	.	H	α-helix	trans	-64.1	-42.7	173.5	0	0	0	0	0	112.5	S533 V534 K539 L540	S533-G536 CarbonylContact O-C 3.55Å; S533-G536 WeakPolarHBondContact O-CA 3.37Å; S533-G536 PolarHBondContact O-N 2.79Å; S533-G536 PolarHBondContact OG-N 3.31Å; V534-G536 VanDerWaalsContact C-N 3.35Å; V534-G536 PolarHBondContact O-N 3.04Å; G536-K539 PolarHBondContact O-N 3.46Å; G536-L540 WeakPolarHBondContact O-CG 3.49Å; G536-L540 PolarHBondContact O-N 3.33Å
537	F	96	Very high	93.6	Very high	77 Å²	77	74.5 Å²	74.5	34%	0.338	40%	0.404	S	S	.	.	H	α-helix	trans	-61.3	-46.3	175.2	177.2	-103.7	0	0	0	111.2	I155 M158 P532 S533 V534 K539 L540 T541	I155-F537 HydrophobicContact CD1-CD1 4.46Å; I155-F537 HydrophobicContact CD1-CE1 4.33Å; M158-F537 HydrophobicContact CE-CB 4.27Å; M158-F537 HydrophobicContact CE-CD1 4.14Å; M158-F537 HydrophobicContact CE-CD2 4.3Å; M158-F537 HydrophobicContact CE-CG 3.97Å; M158-F537 HydrophobicContact SD-CB 4.08Å; M158-F537 HydrophobicContact SD-CD2 4.22Å; M158-F537 HydrophobicContact SD-CG 4.16Å; P532-F537 HydrophobicContact CB-CB 4.42Å; P532-F537 HydrophobicContact CG-CB 4.03Å; S533-F537 PolarHBondContact O-N 2.98Å; V534-F537 WeakPolarHBondContact O-CB 3.44Å; V534-F537 PolarHBondContact O-N 3.01Å; F537-K539 VanDerWaalsContact C-N 3.34Å; F537-K539 PolarHBondContact O-N 2.96Å; F537-L540 WeakPolarHBondContact O-CB 3.41Å; F537-L540 PolarHBondContact O-N 3.39Å; F537-L540 VanDerWaalsContact O-N 3.15Å; F537-T541 HydrophobicContact CD1-CG2 4.27Å; F537-T541 HydrophobicContact CD2-CG2 4.5Å; F537-T541 HydrophobicContact CE1-CG2 3.84Å; F537-T541 HydrophobicContact CE2-CG2 4.08Å; F537-T541 HydrophobicContact CZ-CG2 3.72Å; F537-T541 WeakPolarHBondContact O-CG2 3.49Å; F537-T541 PolarHBondContact O-N 3.22Å; F537-T541 PolarHBondContact O-OG1 3.07Å
538	L	94.4	Very high	93.3	Very high	82 Å²	82	70.1 Å²	70.1	43%	0.429	40%	0.397	S	S	.	.	H	α-helix	trans	-60.5	-42.2	176.3	-69.9	174.1	0	0	0	112.1	W202 V534 G535 L540 T541 G542	W202-L538 HydrophobicContact CE3-CD1 4.3Å; W202-L538 HydrophobicContact CH2-CD1 3.64Å; W202-L538 HydrophobicContact CZ3-CD1 3.43Å; W202-L538 VanDerWaalsContact CZ3-CD1 3.43Å; V534-L538 HydrophobicContact CG1-CD1 4.39Å; V534-L538 WeakPolarHBondContact O-CG 3.42Å; V534-L538 PolarHBondContact O-N 3.41Å; G535-L538 PolarHBondContact O-N 3.14Å; L538-L540 PolarHBondContact O-N 3.32Å; L538-T541 WeakPolarHBondContact CA-OG1 3.34Å; L538-T541 PolarHBondContact O-N 2.73Å; L538-T541 PolarHBondContact O-OG1 3.35Å; L538-G542 PolarHBondContact O-N 2.91Å
539	K	94.1	Very high	93.1	Very high	165 Å²	165	69.5 Å²	69.5	72%	0.717	41%	0.405	S	S	*	.	H	α-helix	trans	-59.2	-45.8	173.3	-72.7	175.5	-178.2	-178	0	111.9	G535 G536 F537 T541 G542 V543	G535-K539 WeakPolarHBondContact O-CG 3.38Å; G535-K539 PolarHBondContact O-N 3.41Å; G536-K539 PolarHBondContact O-N 3.46Å; F537-K539 VanDerWaalsContact C-N 3.34Å; F537-K539 PolarHBondContact O-N 2.96Å; K539-T541 PolarHBondContact O-N 2.97Å; K539-G542 PolarHBondContact O-N 2.78Å; K539-V543 WeakPolarHBondContact O-CG2 3.45Å; K539-V543 PolarHBondContact O-N 3.33Å
540	L	93.4	Very high	92.8	Very high	106 Å²	106	65.6 Å²	65.6	56%	0.555	40%	0.403	S	S	*	.	H	α-helix	trans	-61.1	-43.7	176.9	-72	170	0	0	0	111.9	P532 G536 F537 L538 G542 V543 S544	P532-L540 HydrophobicContact CB-CD1 4.27Å; P532-L540 HydrophobicContact CG-CD1 4.32Å; G536-L540 WeakPolarHBondContact O-CG 3.49Å; G536-L540 PolarHBondContact O-N 3.33Å; F537-L540 WeakPolarHBondContact O-CB 3.41Å; F537-L540 PolarHBondContact O-N 3.39Å; F537-L540 VanDerWaalsContact O-N 3.15Å; L538-L540 PolarHBondContact O-N 3.32Å; L540-G542 VanDerWaalsContact C-N 3.33Å; L540-G542 PolarHBondContact O-N 2.86Å; L540-V543 PolarHBondContact O-N 3.01Å; L540-S544 WeakPolarHBondContact O-CB 3.38Å; L540-S544 PolarHBondContact O-N 3.46Å
541	T	91.1	Very high	92.5	Very high	59 Å²	59	65.2 Å²	65.2	36%	0.362	40%	0.404	S	S	.	.	H	α-helix	trans	-64.2	-37.4	176.1	60.2	0	0	0	0	112.3	F537 L538 K539 S544 A545	F537-T541 HydrophobicContact CD1-CG2 4.27Å; F537-T541 HydrophobicContact CD2-CG2 4.5Å; F537-T541 HydrophobicContact CE1-CG2 3.84Å; F537-T541 HydrophobicContact CE2-CG2 4.08Å; F537-T541 HydrophobicContact CZ-CG2 3.72Å; F537-T541 WeakPolarHBondContact O-CG2 3.49Å; F537-T541 PolarHBondContact O-N 3.22Å; F537-T541 PolarHBondContact O-OG1 3.07Å; L538-T541 WeakPolarHBondContact CA-OG1 3.34Å; L538-T541 PolarHBondContact O-N 2.73Å; L538-T541 PolarHBondContact O-OG1 3.35Å; K539-T541 PolarHBondContact O-N 2.97Å; T541-S544 PolarHBondContact O-N 3.24Å; T541-A545 WeakPolarHBondContact O-CB 3.41Å; T541-A545 PolarHBondContact O-N 2.92Å
542	G	90.8	Very high	92.2	Very high	36 Å²	36	66.1 Å²	66.1	37%	0.371	42%	0.417	S	S	.	.	H	α-helix	trans	-61.7	-46.5	174.2	0	0	0	0	0	112.3	L538 K539 L540 A545 V546	L538-G542 PolarHBondContact O-N 2.91Å; K539-G542 PolarHBondContact O-N 2.78Å; L540-G542 VanDerWaalsContact C-N 3.33Å; L540-G542 PolarHBondContact O-N 2.86Å; G542-A545 PolarHBondContact O-N 2.76Å; G542-V546 WeakPolarHBondContact O-CG2 3.45Å; G542-V546 PolarHBondContact O-N 3.22Å
543	V	91.3	Very high	91.9	Very high	88 Å²	88	67.2 Å²	67.2	53%	0.533	43%	0.429	S	S	.	.	H	α-helix	trans	-61.6	-45.7	174.8	174.8	0	0	0	0	110.9	K539 L540 A545 V546 L547	K539-V543 WeakPolarHBondContact O-CG2 3.45Å; K539-V543 PolarHBondContact O-N 3.33Å; L540-V543 PolarHBondContact O-N 3.01Å; V543-A545 VanDerWaalsContact C-N 3.31Å; V543-A545 PolarHBondContact O-N 3.3Å; V543-V546 PolarHBondContact O-N 3.05Å; V543-L547 HydrophobicContact CG1-CD1 4.1Å; V543-L547 HydrophobicContact CG1-CG 4.43Å; V543-L547 WeakPolarHBondContact O-CG 3.4Å; V543-L547 PolarHBondContact O-N 2.76Å
544	S	89.6	Confident	91.5	Very high	67 Å²	67	66.8 Å²	66.8	47%	0.469	43%	0.43	S	S	.	.	H	α-helix	trans	-61	-39.3	177.8	-171.3	0	0	0	0	112.4	L540 T541 L547 S548	L540-S544 WeakPolarHBondContact O-CB 3.38Å; L540-S544 PolarHBondContact O-N 3.46Å; T541-S544 PolarHBondContact O-N 3.24Å; S544-L547 PolarHBondContact O-N 3.31Å; S544-S548 WeakPolarHBondContact O-CB 3.36Å; S544-S548 PolarHBondContact O-N 2.87Å; S544-S548 PolarHBondContact O-OG 3.49Å
545	A	89.1	Confident	91.1	Very high	59 Å²	59	71.3 Å²	71.3	49%	0.488	45%	0.453	S	S	.	.	H	α-helix	trans	-65.1	-42.3	176.5	0	0	0	0	0	111.5	T541 G542 V543 S548 A549	T541-A545 WeakPolarHBondContact O-CB 3.41Å; T541-A545 PolarHBondContact O-N 2.92Å; G542-A545 PolarHBondContact O-N 2.76Å; V543-A545 VanDerWaalsContact C-N 3.31Å; V543-A545 PolarHBondContact O-N 3.3Å; A545-S548 PolarHBondContact O-N 3.48Å; A545-A549 WeakPolarHBondContact O-CB 3.4Å; A545-A549 PolarHBondContact O-N 2.87Å
546	V	90.1	Very high	90.8	Very high	100 Å²	100	74.4 Å²	74.4	61%	0.606	47%	0.469	S	S	*	.	H	α-helix	trans	-62.5	-45.6	175	172.2	0	0	0	0	111.2	G542 V543 S548 A549 A550	G542-V546 WeakPolarHBondContact O-CG2 3.45Å; G542-V546 PolarHBondContact O-N 3.22Å; V543-V546 PolarHBondContact O-N 3.05Å; V546-S548 VanDerWaalsContact C-N 3.3Å; V546-S548 PolarHBondContact O-N 3.41Å; V546-A549 PolarHBondContact O-N 3.26Å; V546-A550 WeakPolarHBondContact O-CB 3.45Å; V546-A550 PolarHBondContact O-N 2.88Å
547	L	90.3	Very high	90.4	Very high	107 Å²	107	74.5 Å²	74.5	56%	0.56	47%	0.468	S	S	*	.	H	α-helix	trans	-62.9	-38.1	176.3	-69.7	175	0	0	0	112	V543 S544 A550 T551	V543-L547 HydrophobicContact CG1-CD1 4.1Å; V543-L547 HydrophobicContact CG1-CG 4.43Å; V543-L547 WeakPolarHBondContact O-CG 3.4Å; V543-L547 PolarHBondContact O-N 2.76Å; S544-L547 PolarHBondContact O-N 3.31Å; L547-A550 PolarHBondContact O-N 3.3Å; L547-T551 WeakPolarHBondContact O-CB 3.39Å; L547-T551 PolarHBondContact O-N 2.89Å; L547-T551 PolarHBondContact O-OG1 3.1Å
548	S	88.6	Confident	89.9	Confident	68 Å²	68	78.8 Å²	78.8	48%	0.476	48%	0.483	S	S	.	.	H	α-helix	trans	-66	-42.2	175.9	-58.5	0	0	0	0	111.4	S544 A545 V546 T551 A552	S544-S548 WeakPolarHBondContact O-CB 3.36Å; S544-S548 PolarHBondContact O-N 2.87Å; S544-S548 PolarHBondContact O-OG 3.49Å; A545-S548 PolarHBondContact O-N 3.48Å; V546-S548 VanDerWaalsContact C-N 3.3Å; V546-S548 PolarHBondContact O-N 3.41Å; S548-T551 PolarHBondContact O-N 3.43Å; S548-A552 WeakPolarHBondContact O-CB 3.44Å; S548-A552 PolarHBondContact O-N 2.86Å
549	A	88.3	Confident	89.5	Confident	61 Å²	61	83.7 Å²	83.7	50%	0.504	50%	0.501	S	S	.	.	H	α-helix	trans	-64.2	-42.4	174.6	0	0	0	0	0	111.8	A545 V546 T551 A552 A553	A545-A549 WeakPolarHBondContact O-CB 3.4Å; A545-A549 PolarHBondContact O-N 2.87Å; V546-A549 PolarHBondContact O-N 3.26Å; A549-T551 VanDerWaalsContact C-N 3.32Å; A549-T551 PolarHBondContact O-N 3.45Å; A549-A552 PolarHBondContact O-N 3.2Å; A549-A553 WeakPolarHBondContact O-CB 3.43Å; A549-A553 PolarHBondContact O-N 2.82Å
550	A	89.5	Confident	89.3	Confident	61 Å²	61	83.4 Å²	83.4	50%	0.504	50%	0.5	S	S	.	.	H	α-helix	trans	-62.1	-40.6	174.3	0	0	0	0	0	111.6	V546 L547 A553 G554	V546-A550 WeakPolarHBondContact O-CB 3.45Å; V546-A550 PolarHBondContact O-N 2.88Å; L547-A550 PolarHBondContact O-N 3.3Å; A550-A553 PolarHBondContact O-N 3.45Å; A550-G554 PolarHBondContact O-N 3.41Å
551	T	89.8	Confident	88.8	Confident	88 Å²	88	80.5 Å²	80.5	54%	0.54	50%	0.495	S	S	.	.	H	α-helix	trans	-64.4	-44.4	175.6	-56.6	0	0	0	0	111.3	L547 S548 A549 G554 L555	L547-T551 WeakPolarHBondContact O-CB 3.39Å; L547-T551 PolarHBondContact O-N 2.89Å; L547-T551 PolarHBondContact O-OG1 3.1Å; S548-T551 PolarHBondContact O-N 3.43Å; A549-T551 VanDerWaalsContact C-N 3.32Å; A549-T551 PolarHBondContact O-N 3.45Å; T551-G554 PolarHBondContact O-N 2.93Å; T551-L555 HydrophobicContact CG2-CD1 4.37Å; T551-L555 WeakPolarHBondContact O-CG 3.37Å; T551-L555 PolarHBondContact O-N 3.29Å
552	A	89.4	Confident	88.3	Confident	53 Å²	53	83.8 Å²	83.8	44%	0.438	51%	0.509	S	S	.	.	H	α-helix	trans	-63.5	-43.1	176	0	0	0	0	0	111.9	S548 A549 L555 V556	S548-A552 WeakPolarHBondContact O-CB 3.44Å; S548-A552 PolarHBondContact O-N 2.86Å; A549-A552 PolarHBondContact O-N 3.2Å; A552-L555 PolarHBondContact O-N 2.87Å; A552-V556 WeakPolarHBondContact O-CG2 3.27Å; A552-V556 PolarHBondContact O-N 3.31Å
553	A	88.9	Confident	87.7	Confident	60 Å²	60	87.2 Å²	87.2	50%	0.496	51%	0.514	S	S	.	.	H	α-helix	trans	-62.6	-42.2	174.5	0	0	0	0	0	111.6	A549 A550 V556 A557	A549-A553 WeakPolarHBondContact O-CB 3.43Å; A549-A553 PolarHBondContact O-N 2.82Å; A550-A553 PolarHBondContact O-N 3.45Å; A553-V556 PolarHBondContact O-N 2.83Å; A553-A557 WeakPolarHBondContact O-CB 3.37Å; A553-A557 PolarHBondContact O-N 3.31Å
554	G	89.2	Confident	86.7	Confident	24 Å²	24	88.9 Å²	88.9	25%	0.247	53%	0.527	C	S	.	.	H	α-helix	trans	-59.6	-44.9	172.9	0	0	0	0	0	112.3	A550 T551 V556 A557 Y558 F563	A550-G554 PolarHBondContact O-N 3.41Å; T551-G554 PolarHBondContact O-N 2.93Å; G554-V556 VanDerWaalsContact C-N 3.33Å; G554-V556 PolarHBondContact O-N 2.97Å; G554-A557 PolarHBondContact O-N 3.24Å; G554-Y558 VanDerWaalsContact O-CB 3.27Å; G554-Y558 WeakPolarHBondContact O-CB 3.49Å; G554-Y558 PolarHBondContact O-N 2.83Å; G554-F563 WeakPolarHBondContact O-CE2 3.45Å
555	L	88.3	Confident	85.3	Confident	104 Å²	104	97 Å²	97	55%	0.545	55%	0.547	S	S	.	.	H	α-helix	trans	-61.4	-39.7	174.9	-77.6	165.5	0	0	0	112.4	T551 A552 K559	T551-L555 HydrophobicContact CG2-CD1 4.37Å; T551-L555 WeakPolarHBondContact O-CG 3.37Å; T551-L555 PolarHBondContact O-N 3.29Å; A552-L555 PolarHBondContact O-N 2.87Å; L555-K559 WeakPolarHBondContact O-CG 3.43Å; L555-K559 PolarHBondContact O-N 3.42Å
556	V	89.4	Confident	83.9	Confident	79 Å²	79	103 Å²	103	48%	0.479	59%	0.586	S	S	.	*	H	α-helix	trans	-67.4	-45.8	175.9	171.8	0	0	0	0	111.2	A552 A553 G554 Y558 K559 K560	A552-V556 WeakPolarHBondContact O-CG2 3.27Å; A552-V556 PolarHBondContact O-N 3.31Å; A553-V556 PolarHBondContact O-N 2.83Å; G554-V556 VanDerWaalsContact C-N 3.33Å; G554-V556 PolarHBondContact O-N 2.97Å; V556-Y558 VanDerWaalsContact C-N 3.31Å; V556-Y558 PolarHBondContact O-N 3.42Å; V556-K559 PolarHBondContact O-N 2.94Å; V556-K560 HydrophobicContact CG1-CD 4.23Å; V556-K560 WeakPolarHBondContact O-CB 3.37Å; V556-K560 WeakPolarHBondContact O-CG 3.44Å; V556-K560 PolarHBondContact O-N 3.27Å
557	A	86.4	Confident	83.6	Confident	20 Å²	20	103.2 Å²	103.2	17%	0.165	59%	0.585	C	S	.	*	H	α-helix	trans	-62.5	-38.7	177.2	0	0	0	0	0	111.8	A553 G554 K560 G561 L562 F563	A553-A557 WeakPolarHBondContact O-CB 3.37Å; A553-A557 PolarHBondContact O-N 3.31Å; G554-A557 PolarHBondContact O-N 3.24Å; A557-K560 CarbonylContact O-C 3.6Å; A557-K560 PolarHBondContact O-N 2.97Å; A557-G561 PolarHBondContact O-N 3.11Å; A557-L562 HydrophobicContact CB-CB 4.16Å; A557-L562 HydrophobicContact CB-CD1 4.27Å; A557-L562 WeakPolarHBondContact O-CB 3.43Å; A557-L562 PolarHBondContact O-N 3.29Å; A557-F563 HydrophobicContact CB-CD2 4.12Å; A557-F563 HydrophobicContact CB-CE2 3.48Å; A557-F563 VanDerWaalsContact CB-CE2 3.48Å; A557-F563 HydrophobicContact CB-CZ 4.11Å
558	Y	86.3	Confident	83.2	Confident	168 Å²	168	103 Å²	103	66%	0.659	59%	0.587	S	S	*	*	H	α-helix	trans	-61.4	-49.6	172	-178.8	-101.9	0	0	0	112.1	G554 V556 K560 G561	G554-Y558 VanDerWaalsContact O-CB 3.27Å; G554-Y558 WeakPolarHBondContact O-CB 3.49Å; G554-Y558 PolarHBondContact O-N 2.83Å; V556-Y558 VanDerWaalsContact C-N 3.31Å; V556-Y558 PolarHBondContact O-N 3.42Å; Y558-K560 PolarHBondContact O-N 2.85Å; Y558-G561 PolarHBondContact O-N 3.31Å; Y558-G561 VanDerWaalsContact O-N 3.11Å
559	K	86.7	Confident	82.9	Confident	185 Å²	185	104.9 Å²	104.9	80%	0.804	59%	0.593	S	S	*	*	H	α-helix	trans	-61.1	-32.4	175.9	-77.9	-174.7	177.5	-175.8	0	113.2	L555 V556 G561	L555-K559 WeakPolarHBondContact O-CG 3.43Å; L555-K559 PolarHBondContact O-N 3.42Å; V556-K559 PolarHBondContact O-N 2.94Å; K559-G561 VanDerWaalsContact C-N 3.31Å
560	K	88.6	Confident	82.6	Confident	159 Å²	159	107.5 Å²	107.5	69%	0.691	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	2.7	178.4	-71.5	-171.1	175.1	-173	0	114.2	V556 A557 Y558 L562	V556-K560 HydrophobicContact CG1-CD 4.23Å; V556-K560 WeakPolarHBondContact O-CB 3.37Å; V556-K560 WeakPolarHBondContact O-CG 3.44Å; V556-K560 PolarHBondContact O-N 3.27Å; A557-K560 CarbonylContact O-C 3.6Å; A557-K560 PolarHBondContact O-N 2.97Å; Y558-K560 PolarHBondContact O-N 2.85Å; K560-L562 VanDerWaalsContact C-N 3.28Å; K560-L562 HydrophobicContact CB-CD1 4.27Å; K560-L562 HydrophobicContact CB-CG 4.16Å; K560-L562 PolarHBondContact O-N 3.19Å
561	G	83.7	Confident	82.2	Confident	44 Å²	44	110.4 Å²	110.4	45%	0.454	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	70.5	22.3	178.4	0	0	0	0	0	114.2	A557 Y558 K559 F563	A557-G561 PolarHBondContact O-N 3.11Å; Y558-G561 PolarHBondContact O-N 3.31Å; Y558-G561 VanDerWaalsContact O-N 3.11Å; K559-G561 VanDerWaalsContact C-N 3.31Å; G561-F563 VanDerWaalsContact C-N 3.27Å
562	L	80.8	Confident	81.7	Confident	128 Å²	128	111.9 Å²	111.9	67%	0.67	61%	0.608	S	S	*	*			trans	-82.9	-3.9	179.3	-62.9	174.8	0	0	0	113.1	A557 K560	A557-L562 HydrophobicContact CB-CB 4.16Å; A557-L562 HydrophobicContact CB-CD1 4.27Å; A557-L562 WeakPolarHBondContact O-CB 3.43Å; A557-L562 PolarHBondContact O-N 3.29Å; K560-L562 VanDerWaalsContact C-N 3.28Å; K560-L562 HydrophobicContact CB-CD1 4.27Å; K560-L562 HydrophobicContact CB-CG 4.16Å; K560-L562 PolarHBondContact O-N 3.19Å
563	F	76.9	Confident	81.1	Confident	108 Å²	108	116.1 Å²	116.1	47%	0.474	62%	0.62	S	S	.	*	S	Bend	trans	-101.5	140.6	167.9	-69	-72.3	0	0	0	109.9	G554 A557 G561 R565	G554-F563 WeakPolarHBondContact O-CE2 3.45Å; A557-F563 HydrophobicContact CB-CD2 4.12Å; A557-F563 HydrophobicContact CB-CE2 3.48Å; A557-F563 VanDerWaalsContact CB-CE2 3.48Å; A557-F563 HydrophobicContact CB-CZ 4.11Å; G561-F563 VanDerWaalsContact C-N 3.27Å; F563-R565 PolarHBondContact O-N 3.31Å
564	P	70.6	Confident	80.5	Confident	123 Å²	123	120.5 Å²	120.5	80%	0.799	63%	0.63	S	S	*	*			trans	-57.7	124.8	176.1	13.4	-17.2	0	0	0	109.3	S566	P564-S566 PolarHBondContact O-N 2.93Å; P564-S566 VanDerWaalsContact O-N 3.1Å
565	R	61.4	Low	79.8	Confident	237 Å²	237	128.5 Å²	128.5	89%	0.894	66%	0.662	S	S	*	*			trans	-71.1	102.2	168.4	-70.7	-177.7	176.8	175.9	-0.8	106.7	F563	F563-R565 PolarHBondContact O-N 3.31Å
566	S	58.4	Low	79	Confident	187 Å²	187	130.7 Å²	130.7	100%	1.308	67%	0.672	S	S	*	*			trans	-68.6	0	164.6	59.7	0	0	0	0	110.3	P564	P564-S566 PolarHBondContact O-N 2.93Å; P564-S566 VanDerWaalsContact O-N 3.1Å

Retrieved 566 of 566 residues in 794.9 ms (Link to these results)

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