A0A087XFH3_POEFO Loading...

gamma-butyrobetaine dioxygenase

Catalyzes the formation of L-carnitine from gamma-butyrobetaine.

AlphaFold DB , UniProt , Accession A0A087XFH3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 460 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	31.9	Very low	29.1	Very low	229 Å²	229	157.7 Å²	157.7	100%	1.128	78%	0.783	S	S	*	*				0	131.5	0	-121.8	175.2	-179.7	0	0	106.8
2	W	30	Very low	29.4	Very low	226 Å²	226	155.1 Å²	155.1	86%	0.856	79%	0.786	S	S	*	*			trans	64.1	120.2	179.4	-63.2	63	0	0	0	114
3	M	25	Very low	29.3	Very low	175 Å²	175	149.3 Å²	149.3	86%	0.862	76%	0.763	S	S	*	*			cis	59.7	143.3	45.7	-59.5	-170.8	162.3	0	0	112
4	S	28.9	Very low	29.3	Very low	91 Å²	91	150.1 Å²	150.1	64%	0.636	76%	0.759	S	S	*	*			cis	-171	163.8	16.6	12.9	0	0	0	0	109.2
5	T	32.1	Very low	29.2	Very low	113 Å²	113	147.8 Å²	147.8	69%	0.693	74%	0.744	S	S	*	*			cis	-177.3	150.6	-10.4	30.9	0	0	0	0	110.9
6	L	29.1	Very low	29	Very low	149 Å²	149	151.7 Å²	151.7	78%	0.78	75%	0.747	S	S	*	*			trans	69.4	162.7	149.7	-64.8	158.9	0	0	0	118.2
7	A	29	Very low	29	Very low	74 Å²	74	149.4 Å²	149.4	61%	0.612	75%	0.749	S	S	*	*			cis	-148.9	149.1	3.9	0	0	0	0	0	111
8	R	28.5	Very low	29.6	Very low	196 Å²	196	147.9 Å²	147.9	74%	0.74	75%	0.752	S	S	*	*				57.1	139.7	105.5	-57.8	-178.1	-178	-169.2	1.3	115.4
9	F	28.3	Very low	29.7	Very low	183 Å²	183	145.9 Å²	145.9	80%	0.803	75%	0.753	S	S	*	*			cis	-159.2	173.8	28.2	-101.4	-48.2	0	0	0	108.5
10	A	27.6	Very low	30.4	Very low	83 Å²	83	144.5 Å²	144.5	69%	0.686	75%	0.753	S	S	*	*			cis	-158.6	-137.2	-8.1	0	0	0	0	0	109.7
11	R	29.4	Very low	30.2	Very low	216 Å²	216	143.6 Å²	143.6	82%	0.815	75%	0.754	S	S	*	*			trans	-149.2	176.1	168.2	-69.6	-177.2	171.7	176.7	-7.5	108.9	V13	R11-V13 HydrophobicContact CB-CG2 3.89Å; R11-V13 VanDerWaalsContact CD-CG2 3.5Å; R11-V13 HydrophobicContact CG-CG2 4.4Å
12	P	32.9	Very low	30	Very low	126 Å²	126	138.6 Å²	138.6	82%	0.818	74%	0.736	S	S	*	*				-132.2	152.9	95.7	37.8	-28.3	0	0	0	111.2
13	V	28.6	Very low	29.8	Very low	80 Å²	80	132.6 Å²	132.6	49%	0.485	73%	0.727	S	S	.	*			cis	72.3	115.3	26	-163.9	0	0	0	0	115.4	R11	R11-V13 HydrophobicContact CB-CG2 3.89Å; R11-V13 VanDerWaalsContact CD-CG2 3.5Å; R11-V13 HydrophobicContact CG-CG2 4.4Å
14	F	28.4	Very low	29.9	Very low	161 Å²	161	133.5 Å²	133.5	71%	0.706	73%	0.726	S	S	*	*				177.7	118.7	115.7	-104.3	-100.7	0	0	0	107.2
15	Q	28.1	Very low	29.7	Very low	115 Å²	115	133.5 Å²	133.5	54%	0.537	73%	0.732	S	S	.	*				68.6	146.9	95.7	-68.7	-166.2	9.8	0	0	114.7
16	R	25.9	Very low	29.3	Very low	210 Å²	210	136.7 Å²	136.7	79%	0.792	74%	0.741	S	S	*	*			cis	-162.9	167.9	1.2	-119.3	169.8	-177.3	165.4	-7.3	110.2
17	S	29.6	Very low	29.1	Very low	112 Å²	112	139.6 Å²	139.6	78%	0.783	75%	0.747	S	S	*	*			trans	-67.3	-175.2	168.9	-26.9	0	0	0	0	113
18	P	39.5	Very low	28.9	Very low	123 Å²	123	139.9 Å²	139.9	80%	0.799	75%	0.75	S	S	*	*			cis	-144.5	-165.5	16.8	41.6	-18.2	0	0	0	117.7
19	S	31.1	Very low	28.6	Very low	110 Å²	110	136.6 Å²	136.6	77%	0.769	76%	0.755	S	S	*	*			trans	-59.7	-175	172.7	-26.3	0	0	0	0	114.8
20	P	44.1	Very low	28.4	Very low	118 Å²	118	139.7 Å²	139.7	77%	0.766	76%	0.762	S	S	*	*			cis	-157.2	-154.3	41	37.1	-8.7	0	0	0	118
21	V	27.3	Very low	28.2	Very low	125 Å²	125	145.3 Å²	145.3	76%	0.758	77%	0.765	S	S	*	*			trans	85.8	118.3	162.9	-166.9	0	0	0	0	116.2
22	V	26.2	Very low	27.9	Very low	125 Å²	125	144.2 Å²	144.2	76%	0.758	77%	0.771	S	S	*	*			cis	103.3	114.5	27.4	170.8	0	0	0	0	114.3
23	C	26.3	Very low	27.4	Very low	100 Å²	100	144.2 Å²	144.2	68%	0.676	76%	0.76	S	S	*	*			trans	-176.7	122.6	135.1	-99	0	0	0	0	110.6
24	K	26.3	Very low	27.2	Very low	194 Å²	194	148.2 Å²	148.2	84%	0.843	78%	0.779	S	S	*	*				72.3	145.7	94.8	-72.7	-174.3	-177.6	173.4	0	115
25	A	25.1	Very low	27.2	Very low	90 Å²	90	146 Å²	146	74%	0.744	78%	0.78	S	S	*	*			cis	-169.2	158.3	-19	0	0	0	0	0	110.8
26	M	24.2	Very low	27.1	Very low	181 Å²	181	145 Å²	145	89%	0.892	79%	0.792	S	S	*	*			trans	-10.8	139.6	160.5	-60.7	174.8	169.7	0	0	120.5
27	K	25.3	Very low	27.1	Very low	209 Å²	209	140.3 Å²	140.3	91%	0.909	79%	0.788	S	S	*	*				179.4	155.9	118.7	-96.9	164.3	-177.3	-179.3	0	108.9
28	A	24	Very low	26.9	Very low	81 Å²	81	140.4 Å²	140.4	67%	0.669	79%	0.789	S	S	*	*			cis	169.8	128.6	-25	0	0	0	0	0	105.4
29	C	22.4	Very low	26.2	Very low	126 Å²	126	143 Å²	143	85%	0.851	79%	0.788	S	S	*	*			trans	25.4	129	156.7	-57.3	0	0	0	0	121.3
30	R	24.2	Very low	25.9	Very low	248 Å²	248	143.7 Å²	143.7	94%	0.936	79%	0.792	S	S	*	*				-155.2	140.5	104.9	-109.4	173.3	-171.1	-152.8	0.7	113
31	R	23	Very low	25	Very low	202 Å²	202	145.2 Å²	145.2	76%	0.762	79%	0.79	S	S	*	*			trans	-66.9	146.3	165.7	-69.1	178	175.1	-176	3.3	109.7	E33	R31-E33 WeakPolarHBondContact CD-OE1 3.27Å; R31-E33 IonicContact CZ-OE1 2.96Å; R31-E33 IonicContact NE-OE1 3.62Å; R31-E33 IonicContact NH1-OE1 3.26Å; R31-E33 PolarHBondContact NH1-OE1 3.15Å
32	M	23.3	Very low	24.9	Very low	192 Å²	192	144.2 Å²	144.2	95%	0.946	79%	0.785	S	S	*	*			trans	-128.6	131.7	136.5	-81.5	-176.8	65	0	0	107.5
33	E	22.7	Very low	24.9	Very low	126 Å²	126	144.3 Å²	144.3	59%	0.589	79%	0.788	S	S	*	*			trans	-104.8	163.1	179.4	-69.2	167.8	172.7	0	0	109.7	R31	R31-E33 WeakPolarHBondContact CD-OE1 3.27Å; R31-E33 IonicContact CZ-OE1 2.96Å; R31-E33 IonicContact NE-OE1 3.62Å; R31-E33 IonicContact NH1-OE1 3.26Å; R31-E33 PolarHBondContact NH1-OE1 3.15Å
34	L	24.3	Very low	24.8	Very low	165 Å²	165	145.8 Å²	145.8	86%	0.864	79%	0.793	S	S	*	*			trans	79.9	150.6	165.2	-57	169.6	0	0	0	118.6
35	P	27.9	Very low	24.7	Very low	115 Å²	115	144.8 Å²	144.8	75%	0.747	79%	0.791	S	S	*	*			cis	-122.6	162.4	-20.5	33.3	-16.6	0	0	0	113.7
36	A	26.5	Very low	24.7	Very low	94 Å²	94	148.7 Å²	148.7	78%	0.777	80%	0.798	S	S	*	*			trans	-77.3	137.1	173.1	0	0	0	0	0	111.8	S38	A36-S38 PolarHBondContact O-N 2.81Å
37	P	25.8	Very low	24.7	Very low	110 Å²	110	150.2 Å²	150.2	71%	0.714	79%	0.794	S	S	*	*			trans	-84.7	108.1	164.2	31.8	-28.8	0	0	0	109.8	F39	P37-F39 HydrophobicContact CB-CD2 4.36Å; P37-F39 HydrophobicContact CB-CE2 4.5Å; P37-F39 PolarHBondContact O-N 3.2Å
38	S	25.8	Very low	25	Very low	114 Å²	114	151.9 Å²	151.9	80%	0.797	79%	0.794	S	S	*	*			trans	-69.9	107.9	169	52.6	0	0	0	0	110.5	A36	A36-S38 PolarHBondContact O-N 2.81Å
39	F	24.3	Very low	25.3	Very low	178 Å²	178	155.5 Å²	155.5	78%	0.781	80%	0.797	S	S	*	*			trans	-118.2	101.7	163.7	-85.6	-80.4	0	0	0	110.6	P37 M41	P37-F39 HydrophobicContact CB-CD2 4.36Å; P37-F39 HydrophobicContact CB-CE2 4.5Å; P37-F39 PolarHBondContact O-N 3.2Å; F39-M41 PolarHBondContact O-N 3.12Å
40	C	25.2	Very low	25.5	Very low	125 Å²	125	157.1 Å²	157.1	85%	0.845	79%	0.792	S	S	*	*			trans	-69.5	109.6	163.6	-172.3	0	0	0	0	107.8
41	M	24.5	Very low	25.6	Very low	149 Å²	149	152 Å²	152	73%	0.734	79%	0.788	S	S	*	*			trans	-125.4	126	169.1	-76.7	-89	76.1	0	0	109.4	F39	F39-M41 PolarHBondContact O-N 3.12Å
42	T	25.8	Very low	26	Very low	105 Å²	105	150 Å²	150	64%	0.644	79%	0.792	S	S	*	*			trans	-54.5	158.6	176.7	42.2	0	0	0	0	112.9	V44	T42-V44 PolarHBondContact O-N 3.17Å
43	P	25.4	Very low	26.2	Very low	127 Å²	127	143.9 Å²	143.9	83%	0.825	78%	0.778	S	S	*	*			trans	-57.7	111.1	178.1	24.5	-34.6	0	0	0	110.5	H45	P43-H45 PolarHBondContact O-N 3.15Å
44	V	24.1	Very low	26.6	Very low	131 Å²	131	142.4 Å²	142.4	79%	0.794	78%	0.781	S	S	*	*			trans	-67.2	122.7	177.7	172.4	0	0	0	0	108.5	T42 I46	T42-V44 PolarHBondContact O-N 3.17Å; V44-I46 PolarHBondContact O-N 3.47Å
45	H	24.5	Very low	26.7	Very low	172 Å²	172	138.1 Å²	138.1	80%	0.796	77%	0.77	S	S	*	*			trans	-46.1	122.4	175.2	-67.9	-78.7	0	0	0	111.8	P43 R47	P43-H45 PolarHBondContact O-N 3.15Å; H45-R47 VanDerWaalsContact C-N 3.34Å; H45-R47 PolarHBondContact O-N 2.82Å
46	I	26.6	Very low	26.8	Very low	172 Å²	172	138 Å²	138	88%	0.882	77%	0.769	S	S	*	*			trans	-60.3	104.3	156.3	-65	176	0	0	0	106	V44 R48	V44-I46 PolarHBondContact O-N 3.47Å; I46-R48 PolarHBondContact O-N 2.86Å
47	R	24	Very low	26.9	Very low	213 Å²	213	141 Å²	141	80%	0.804	77%	0.769	S	S	*	*			trans	-58.4	127.9	173.2	-91.2	-177.7	168.1	-179.6	-3.3	108.3	H45 H49	H45-R47 VanDerWaalsContact C-N 3.34Å; H45-R47 PolarHBondContact O-N 2.82Å; R47-H49 PolarHBondContact O-N 3.2Å
48	R	31.8	Very low	27.1	Very low	245 Å²	245	141.1 Å²	141.1	93%	0.925	77%	0.77	S	S	*	*			trans	-40.8	111	164.9	-71.7	174.1	167.6	179.5	-5.8	110	I46	I46-R48 PolarHBondContact O-N 2.86Å
49	H	28.8	Very low	27.8	Very low	157 Å²	157	139.8 Å²	139.8	73%	0.727	76%	0.757	S	S	*	*			trans	-116.9	109.4	154.9	-93.7	-81.5	0	0	0	108.4	R47	R47-H49 PolarHBondContact O-N 3.2Å
50	Q	27.8	Very low	28.7	Very low	160 Å²	160	134.9 Å²	134.9	75%	0.748	75%	0.749	S	S	*	*			trans	52.1	78.2	159.6	-65.5	170	-9	0	0	115.1	L52	Q50-L52 PolarHBondContact O-N 2.86Å
51	T	26.1	Very low	30.3	Very low	139 Å²	139	133.3 Å²	133.3	85%	0.853	75%	0.745	S	S	*	*			trans	-47.8	99.7	131.8	42.6	0	0	0	0	108.8	G53	T51-G53 PolarHBondContact O-N 3.15Å
52	L	30.8	Very low	32.3	Very low	162 Å²	162	129.5 Å²	129.5	85%	0.848	73%	0.725	S	S	*	*			trans	-72.1	51	151.2	-89.1	164.4	0	0	0	109.2	Q50 S54	Q50-L52 PolarHBondContact O-N 2.86Å; L52-S54 PolarHBondContact O-N 2.97Å
53	G	28.3	Very low	34.8	Very low	63 Å²	63	127.7 Å²	127.7	65%	0.649	72%	0.717	S	S	*	*			trans	-71.7	85.6	150.5	0	0	0	0	0	105.3	T51 A55	T51-G53 PolarHBondContact O-N 3.15Å; G53-A55 PolarHBondContact O-N 3.19Å
54	S	30.2	Very low	37.8	Very low	94 Å²	94	122.3 Å²	122.3	66%	0.657	68%	0.681	S	S	*	*			trans	-56.9	100.7	155.4	52.9	0	0	0	0	105.5	L52	L52-S54 PolarHBondContact O-N 2.97Å
55	A	27.1	Very low	40.7	Very low	75 Å²	75	124.5 Å²	124.5	62%	0.62	68%	0.675	S	S	*	*			trans	-47.6	137.4	159	0	0	0	0	0	106.5	G53 M57	G53-A55 PolarHBondContact O-N 3.19Å; A55-M57 VanDerWaalsContact C-N 3.25Å; A55-M57 PolarHBondContact O-N 2.68Å
56	P	30.2	Very low	43.9	Very low	113 Å²	113	120.6 Å²	120.6	73%	0.734	66%	0.657	S	S	*	*			trans	-61	100.4	172.1	23.7	-28.8	0	0	0	106.4
57	M	28	Very low	47.2	Very low	156 Å²	156	113 Å²	113	77%	0.768	62%	0.619	S	S	*	*			trans	-50.9	128.4	161.9	-76.3	-67.7	-67.5	0	0	104.8	A55 V59	A55-M57 VanDerWaalsContact C-N 3.25Å; A55-M57 PolarHBondContact O-N 2.68Å; M57-V59 PolarHBondContact O-N 3.39Å
58	P	30.8	Very low	50.7	Low	113 Å²	113	107.2 Å²	107.2	73%	0.734	60%	0.597	S	S	*	*			trans	-53.9	118.8	173.1	23.4	-32	0	0	0	106	A60	P58-A60 PolarHBondContact O-N 3.47Å
59	V	40.5	Very low	53.8	Low	86 Å²	86	96.9 Å²	96.9	52%	0.521	56%	0.564	S	S	.	*			trans	-58.5	107.5	178.4	178.2	0	0	0	0	104.9	M57 A61 A447	M57-V59 PolarHBondContact O-N 3.39Å; V59-A61 PolarHBondContact O-N 2.98Å; V59-A447 HydrophobicContact CG2-CB 4.28Å
60	A	43.1	Very low	57	Low	76 Å²	76	91.4 Å²	91.4	63%	0.628	54%	0.54	S	S	*	.			trans	-57.5	117.8	176.9	0	0	0	0	0	105.8	P58 H62	P58-A60 PolarHBondContact O-N 3.47Å; A60-H62 PolarHBondContact O-N 3.19Å; A60-H62 PolarHBondContact O-ND1 3.43Å
61	A	57.6	Low	60.2	Low	92 Å²	92	88.6 Å²	88.6	76%	0.76	53%	0.53	S	S	*	.			trans	-55.8	116.5	178.5	0	0	0	0	0	107	V59 S63	V59-A61 PolarHBondContact O-N 2.98Å; A61-S63 VanDerWaalsContact C-N 3.3Å; A61-S63 PolarHBondContact O-N 2.85Å
62	H	67.4	Low	63.4	Low	68 Å²	68	90.9 Å²	90.9	32%	0.315	53%	0.531	S	S	.	.			trans	-70.3	90.8	-172.6	-73.7	92	0	0	0	108.8	A60 W80 A148 K152	A60-H62 PolarHBondContact O-N 3.19Å; A60-H62 PolarHBondContact O-ND1 3.43Å; H62-W80 HydrophobicContact CB-CE3 4.42Å; H62-W80 HydrophobicContact CB-CZ3 4.31Å; H62-A148 WeakPolarHBondContact O-CB 3.49Å; H62-K152 HydrophobicContact CB-CB 4.39Å; H62-K152 HydrophobicContact CB-CG 4.36Å
63	S	78.9	Confident	66.5	Low	67 Å²	67	88.7 Å²	88.7	47%	0.469	52%	0.516	S	S	.	.			trans	-76.9	140.4	-179.1	-170.4	0	0	0	0	110.7	A61 E81	A61-S63 VanDerWaalsContact C-N 3.3Å; A61-S63 PolarHBondContact O-N 2.85Å; S63-E81 PolarHBondContact O-N 2.96Å; S63-E81 VanDerWaalsContact O-N 3.07Å
64	M	87.4	Confident	69.8	Low	14 Å²	14	90.5 Å²	90.5	7%	0.069	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133	176.2	-63.7	174.2	-57.2	0	0	108.9	V78 W80 V128 G132 V134 A148 L151	M64-V78 HydrophobicContact CB-CG1 4.19Å; M64-V78 HydrophobicContact CG-CG1 3.62Å; M64-V78 HydrophobicContact SD-CG1 3.74Å; M64-W80 HydrophobicContact CG-CE3 3.57Å; M64-W80 HydrophobicContact CG-CH2 4.04Å; M64-W80 HydrophobicContact CG-CZ3 3.31Å; M64-W80 HydrophobicContact SD-CH2 4.2Å; M64-W80 HydrophobicContact SD-CZ3 3.99Å; M64-V128 HydrophobicContact CE-CG1 4.24Å; M64-G132 WeakPolarHBondContact CE-O 3.15Å; M64-V134 HydrophobicContact CE-CG2 3.47Å; M64-V134 VanDerWaalsContact CE-CG2 3.47Å; M64-V134 HydrophobicContact SD-CG2 3.44Å; M64-V134 WeakPolarHBondContact SD-CG2 3.32Å; M64-A148 HydrophobicContact CE-CB 3.68Å; M64-A148 HydrophobicContact CG-CB 4.03Å; M64-A148 HydrophobicContact SD-CB 3.86Å; M64-L151 HydrophobicContact SD-CD1 4.36Å
65	R	85.8	Confident	73.1	Confident	178 Å²	178	88 Å²	88	67%	0.672	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	-38.9	178.9	-171.7	177.2	175.3	-158.7	-1.8	111.8	E79 E81	R65-E79 PolarHBondContact N-O 3.04Å; R65-E81 WeakPolarHBondContact CA-OE1 3.46Å; R65-E81 HydrophobicContact CB-CG 4.48Å; R65-E81 WeakPolarHBondContact CB-OE1 3.38Å
66	H	91	Very high	76.5	Confident	90 Å²	90	84.4 Å²	84.4	42%	0.417	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	150.4	-179.2	-164.4	-82.6	0	0	0	111.1	E79	H66-E79 HydrophobicContact CB-CB 4.22Å; H66-E79 PolarHBondContact N-O 3.3Å; H66-E79 PolarHBondContact O-N 3.43Å
67	V	96	Very high	79.7	Confident	12 Å²	12	79 Å²	79	7%	0.073	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	141.1	169.6	68.5	0	0	0	0	109.4	M76 A77 V78 V126 V128 V134	V67-M76 HydrophobicContact CG2-CG 3.67Å; V67-M76 HydrophobicContact CG2-SD 3.84Å; V67-A77 CarbonylContact C-O 3.13Å; V67-A77 WeakPolarHBondContact CA-O 3.36Å; V67-V78 HydrophobicContact CG2-CG2 4.18Å; V67-V126 HydrophobicContact CB-CG2 4.35Å; V67-V126 HydrophobicContact CG1-CG1 4.45Å; V67-V126 HydrophobicContact CG1-CG2 3.8Å; V67-V126 HydrophobicContact CG2-CG1 4.38Å; V67-V126 HydrophobicContact CG2-CG2 3.57Å; V67-V128 HydrophobicContact CB-CG2 4.2Å; V67-V128 HydrophobicContact CG1-CG2 3.69Å; V67-V134 HydrophobicContact CG2-CG1 4.17Å
68	R	96.6	Very high	83	Confident	91 Å²	91	71.6 Å²	71.6	34%	0.343	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	149.3	171.9	59.4	177.3	172.5	-88.1	-7.5	112.1	L70 A77 E79	R68-L70 HydrophobicContact CG-CD2 4.3Å; R68-A77 HydrophobicContact CG-CB 4.07Å; R68-A77 PolarHBondContact N-O 3.4Å; R68-A77 PolarHBondContact O-N 2.89Å; R68-E79 IonicContact CZ-OE1 3.62Å; R68-E79 IonicContact NH1-OE1 3.75Å; R68-E79 PolarHBondContact NH1-OE1 3.33Å; R68-E79 IonicContact NH2-OE1 2.9Å; R68-E79 PolarHBondContact NH2-OE1 3.04Å
69	A	97	Very high	86.1	Confident	28 Å²	28	69 Å²	69	23%	0.231	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	144.7	162.4	0	0	0	0	0	110.1	F90 M123 V126	A69-F90 HydrophobicContact CB-CE1 4.41Å; A69-F90 HydrophobicContact CB-CZ 3.98Å; A69-M123 HydrophobicContact CB-SD 4.02Å; A69-V126 HydrophobicContact CB-CG1 4.38Å
70	L	97.1	Very high	88.6	Confident	43 Å²	43	65.1 Å²	65.1	23%	0.225	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	89.2	167	-55.5	177.9	0	0	0	105.5	R68 E73 R74 L75 A77 L87	R68-L70 HydrophobicContact CG-CD2 4.3Å; L70-E73 WeakPolarHBondContact CB-OE2 3.5Å; L70-R74 WeakPolarHBondContact O-CA 3.47Å; L70-R74 PolarHBondContact O-N 2.89Å; L70-L75 WeakPolarHBondContact CA-O 3.45Å; L70-L75 HydrophobicContact CB-CB 4.4Å; L70-L75 VanDerWaalsContact CB-O 3.3Å; L70-L75 WeakPolarHBondContact CB-O 3Å; L70-L75 HydrophobicContact CD1-CB 4.44Å; L70-L75 PolarHBondContact N-O 2.98Å; L70-L75 PolarHBondContact O-N 2.9Å; L70-A77 HydrophobicContact CD1-CB 3.96Å; L70-A77 HydrophobicContact CG-CB 4.21Å; L70-L87 HydrophobicContact CD1-CD2 4.15Å
71	D	94.1	Very high	90.9	Very high	100 Å²	100	66.9 Å²	66.9	54%	0.535	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-31.4	-162.7	-64.5	-59	0	0	0	114	R74	D71-R74 WeakPolarHBondContact O-CG 3.47Å; D71-R74 PolarHBondContact O-N 2.94Å
72	E	93.9	Very high	92.4	Very high	187 Å²	187	67.5 Å²	67.5	87%	0.874	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-42.9	177.3	-62.5	-170.9	178.5	0	0	110.9
73	E	96.6	Very high	93.3	Very high	117 Å²	117	67.6 Å²	67.6	55%	0.547	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-14.1	176.9	-55.1	92.4	150.8	0	0	113.4	L70 L75	L70-E73 WeakPolarHBondContact CB-OE2 3.5Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 HydrophobicContact CB-CB 4.44Å; E73-L75 HydrophobicContact CB-CD1 3.98Å; E73-L75 HydrophobicContact CB-CG 3.91Å
74	R	97.3	Very high	93.9	Very high	100 Å²	100	65.8 Å²	65.8	38%	0.377	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	41.5	-174.6	-57.7	168.2	170.2	-87.1	7.3	113.1	L70 D71 F90 H120 T121	L70-R74 WeakPolarHBondContact O-CA 3.47Å; L70-R74 PolarHBondContact O-N 2.89Å; D71-R74 WeakPolarHBondContact O-CG 3.47Å; D71-R74 PolarHBondContact O-N 2.94Å; R74-F90 HydrophobicContact CB-CD2 3.81Å; R74-F90 HydrophobicContact CB-CE2 4.22Å; R74-F90 HydrophobicContact CB-CG 4.23Å; R74-F90 HydrophobicContact CG-CD2 4.34Å; R74-F90 WeakPolarHBondContact O-CD1 3.42Å; R74-F90 VanDerWaalsContact O-CG 3.28Å; R74-F90 WeakPolarHBondContact O-CG 3.25Å; R74-F90 PolarHBondContact O-N 3.28Å; R74-H120 VanDerWaalsContact NH1-C 3.29Å; R74-H120 PolarHBondContact NH1-O 2.67Å; R74-T121 PolarHBondContact NH1-O 2.89Å
75	L	98.2	Very high	94.3	Very high	41 Å²	41	70 Å²	70	22%	0.215	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.7	-177.4	-59.3	-179.7	0	0	0	111.4	L70 E73 L87 P89 F90	L70-L75 WeakPolarHBondContact CA-O 3.45Å; L70-L75 HydrophobicContact CB-CB 4.4Å; L70-L75 VanDerWaalsContact CB-O 3.3Å; L70-L75 WeakPolarHBondContact CB-O 3Å; L70-L75 HydrophobicContact CD1-CB 4.44Å; L70-L75 PolarHBondContact N-O 2.98Å; L70-L75 PolarHBondContact O-N 2.9Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 HydrophobicContact CB-CB 4.44Å; E73-L75 HydrophobicContact CB-CD1 3.98Å; E73-L75 HydrophobicContact CB-CG 3.91Å; L75-L87 HydrophobicContact CD1-CB 4.36Å; L75-L87 HydrophobicContact CD1-CD1 4.1Å; L75-P89 HydrophobicContact CD2-CB 4.18Å; L75-P89 HydrophobicContact CD2-CG 4.02Å; L75-F90 VanDerWaalsContact O-CE1 3.28Å; L75-F90 WeakPolarHBondContact O-CE1 3.45Å
76	M	98.3	Very high	94.8	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	122.8	164.7	-174.9	-177.8	79.5	0	0	108.9	V67 V78 L87 Y88 F90 L93 M123 V126 V134 I136 L151	V67-M76 HydrophobicContact CG2-CG 3.67Å; V67-M76 HydrophobicContact CG2-SD 3.84Å; M76-V78 HydrophobicContact CE-CG2 3.76Å; M76-L87 WeakPolarHBondContact O-CA 3.21Å; M76-Y88 HydrophobicContact CE-CD2 3.89Å; M76-Y88 HydrophobicContact CE-CG 4.3Å; M76-Y88 PolarHBondContact N-O 3.47Å; M76-Y88 PolarHBondContact O-N 3.28Å; M76-F90 HydrophobicContact CB-CE1 4.35Å; M76-L93 HydrophobicContact CB-CD1 3.71Å; M76-L93 HydrophobicContact CE-CD1 3.79Å; M76-L93 HydrophobicContact CE-CD2 4.05Å; M76-L93 HydrophobicContact CG-CD1 4.38Å; M76-L93 HydrophobicContact SD-CD1 3.75Å; M76-M123 HydrophobicContact CB-CE 4.18Å; M76-M123 HydrophobicContact SD-CE 4.41Å; M76-V126 HydrophobicContact CG-CG2 4.46Å; M76-V126 HydrophobicContact SD-CG2 3.9Å; M76-V134 HydrophobicContact CE-CG1 4.28Å; M76-V134 HydrophobicContact SD-CG1 3.79Å; M76-I136 HydrophobicContact SD-CD1 3.7Å; M76-I136 HydrophobicContact SD-CG1 4.45Å; M76-L151 HydrophobicContact CE-CD1 4.05Å; M76-L151 HydrophobicContact CE-CD2 4.17Å
77	A	97.8	Very high	95.2	Very high	1 Å²	1	61 Å²	61	1%	0.008	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.3	173.4	0	0	0	0	0	110.8	V67 R68 L70 L87	V67-A77 CarbonylContact C-O 3.13Å; V67-A77 WeakPolarHBondContact CA-O 3.36Å; R68-A77 HydrophobicContact CG-CB 4.07Å; R68-A77 PolarHBondContact N-O 3.4Å; R68-A77 PolarHBondContact O-N 2.89Å; L70-A77 HydrophobicContact CD1-CB 3.96Å; L70-A77 HydrophobicContact CG-CB 4.21Å; A77-L87 HydrophobicContact CB-CD2 3.67Å
78	V	97.4	Very high	95.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126	172	-177.8	0	0	0	0	108.6	M64 V67 M76 W80 Q85 S86 Y88	M64-V78 HydrophobicContact CB-CG1 4.19Å; M64-V78 HydrophobicContact CG-CG1 3.62Å; M64-V78 HydrophobicContact SD-CG1 3.74Å; V67-V78 HydrophobicContact CG2-CG2 4.18Å; M76-V78 HydrophobicContact CE-CG2 3.76Å; V78-W80 HydrophobicContact CB-CZ2 4.16Å; V78-W80 HydrophobicContact CG1-CD2 3.95Å; V78-W80 HydrophobicContact CG1-CE3 4.18Å; V78-W80 HydrophobicContact CG1-CH2 3.91Å; V78-W80 HydrophobicContact CG1-CZ2 3.67Å; V78-W80 HydrophobicContact CG1-CZ3 4.18Å; V78-Q85 CarbonylContact O-C 3.53Å; V78-Q85 VanDerWaalsContact O-CA 3.32Å; V78-Q85 WeakPolarHBondContact O-CA 3.35Å; V78-Q85 WeakPolarHBondContact O-CG 3.47Å; V78-S86 PolarHBondContact N-O 2.68Å; V78-S86 PolarHBondContact O-N 3.31Å; V78-Y88 HydrophobicContact CB-CE2 4.22Å; V78-Y88 HydrophobicContact CG2-CD2 4Å; V78-Y88 HydrophobicContact CG2-CE2 3.78Å
79	E	95.7	Very high	95.4	Very high	58 Å²	58	58.2 Å²	58.2	27%	0.271	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.7	168.9	-67.7	175	-171.3	0	0	108.5	R65 H66 R68 Q85	R65-E79 PolarHBondContact N-O 3.04Å; H66-E79 HydrophobicContact CB-CB 4.22Å; H66-E79 PolarHBondContact N-O 3.3Å; H66-E79 PolarHBondContact O-N 3.43Å; R68-E79 IonicContact CZ-OE1 3.62Å; R68-E79 IonicContact NH1-OE1 3.75Å; R68-E79 PolarHBondContact NH1-OE1 3.33Å; R68-E79 IonicContact NH2-OE1 2.9Å; R68-E79 PolarHBondContact NH2-OE1 3.04Å; E79-Q85 HydrophobicContact CG-CG 4.28Å
80	W	94.3	Very high	95.5	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.015	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	158.9	-175.5	-55.9	101.8	0	0	0	111	H62 M64 V78 D82 G83 G84 S86 A148 L151 K152	H62-W80 HydrophobicContact CB-CE3 4.42Å; H62-W80 HydrophobicContact CB-CZ3 4.31Å; M64-W80 HydrophobicContact CG-CE3 3.57Å; M64-W80 HydrophobicContact CG-CH2 4.04Å; M64-W80 HydrophobicContact CG-CZ3 3.31Å; M64-W80 HydrophobicContact SD-CH2 4.2Å; M64-W80 HydrophobicContact SD-CZ3 3.99Å; V78-W80 HydrophobicContact CB-CZ2 4.16Å; V78-W80 HydrophobicContact CG1-CD2 3.95Å; V78-W80 HydrophobicContact CG1-CE3 4.18Å; V78-W80 HydrophobicContact CG1-CH2 3.91Å; V78-W80 HydrophobicContact CG1-CZ2 3.67Å; V78-W80 HydrophobicContact CG1-CZ3 4.18Å; W80-D82 VanDerWaalsContact CB-OD1 3.26Å; W80-D82 WeakPolarHBondContact CB-OD1 3.28Å; W80-D82 PolarHBondContact O-N 3.42Å; W80-G83 PolarHBondContact O-N 3.15Å; W80-G84 VanDerWaalsContact CD1-O 3.29Å; W80-G84 PolarHBondContact N-O 3.15Å; W80-S86 PolarHBondContact NE1-OG 3.47Å; W80-A148 VanDerWaalsContact CH2-O 3.32Å; W80-A148 WeakPolarHBondContact CH2-O 3.41Å; W80-A148 HydrophobicContact CZ3-CB 4.2Å; W80-L151 HydrophobicContact CH2-CB 4.14Å; W80-K152 HydrophobicContact CD2-CD 3.6Å; W80-K152 HydrophobicContact CE3-CD 3.92Å; W80-K152 HydrophobicContact CG-CD 4.17Å; W80-K152 HydrophobicContact CH2-CB 3.69Å; W80-K152 HydrophobicContact CH2-CD 3.93Å; W80-K152 HydrophobicContact CH2-CG 4.42Å; W80-K152 HydrophobicContact CZ2-CB 3.98Å; W80-K152 HydrophobicContact CZ2-CD 3.59Å; W80-K152 HydrophobicContact CZ2-CG 4.39Å; W80-K152 HydrophobicContact CZ3-CB 4.11Å; W80-K152 HydrophobicContact CZ3-CD 4.05Å
81	E	90.6	Very high	95.5	Very high	114 Å²	114	56.5 Å²	56.5	53%	0.533	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.4	174.7	-66.4	-61.2	169	0	0	113.5	S63 R65 G83	S63-E81 PolarHBondContact O-N 2.96Å; S63-E81 VanDerWaalsContact O-N 3.07Å; R65-E81 WeakPolarHBondContact CA-OE1 3.46Å; R65-E81 HydrophobicContact CB-CG 4.48Å; R65-E81 WeakPolarHBondContact CB-OE1 3.38Å; E81-G83 PolarHBondContact O-N 2.9Å
82	D	88.4	Confident	95.7	Very high	104 Å²	104	54.2 Å²	54.2	56%	0.556	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	0.4	171.2	64.2	25.9	0	0	0	113.7	W80 G84 K152	W80-D82 VanDerWaalsContact CB-OD1 3.26Å; W80-D82 WeakPolarHBondContact CB-OD1 3.28Å; W80-D82 PolarHBondContact O-N 3.42Å; D82-G84 PolarHBondContact O-N 3.05Å; D82-G84 WeakPolarHBondContact OD1-CA 3.37Å; D82-G84 PolarHBondContact OD1-N 2.9Å; D82-K152 IonicContact OD1-NZ 3.86Å; D82-K152 PolarHBondContact OD1-NZ 3.22Å; D82-K152 IonicContact OD2-NZ 2.67Å; D82-K152 PolarHBondContact OD2-NZ 2.99Å
83	G	88	Confident	96	Very high	71 Å²	71	45.3 Å²	45.3	73%	0.732	25%	0.246	S	C	*	.	S	Bend	trans	78	-4.3	-176.7	0	0	0	0	0	114.2	W80 E81	W80-G83 PolarHBondContact O-N 3.15Å; E81-G83 PolarHBondContact O-N 2.9Å
84	G	91.3	Very high	96.1	Very high	29 Å²	29	40.7 Å²	40.7	30%	0.299	22%	0.223	S	C	.	.			trans	-72.3	163	172.7	0	0	0	0	0	112.4	W80 D82	W80-G84 VanDerWaalsContact CD1-O 3.29Å; W80-G84 PolarHBondContact N-O 3.15Å; D82-G84 PolarHBondContact O-N 3.05Å; D82-G84 WeakPolarHBondContact OD1-CA 3.37Å; D82-G84 PolarHBondContact OD1-N 2.9Å
85	Q	94.8	Very high	96.1	Very high	103 Å²	103	37.3 Å²	37.3	48%	0.481	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	154.9	175.3	-160.9	-178.6	26.3	0	0	110.5	V78 E79	V78-Q85 CarbonylContact O-C 3.53Å; V78-Q85 VanDerWaalsContact O-CA 3.32Å; V78-Q85 WeakPolarHBondContact O-CA 3.35Å; V78-Q85 WeakPolarHBondContact O-CG 3.47Å; E79-Q85 HydrophobicContact CG-CG 4.28Å
86	S	97.6	Very high	96.1	Very high	9 Å²	9	37 Å²	37	6%	0.063	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144	169.8	-60.2	0	0	0	0	110.6	V78 W80 Y88 C155	V78-S86 PolarHBondContact N-O 2.68Å; V78-S86 PolarHBondContact O-N 3.31Å; W80-S86 PolarHBondContact NE1-OG 3.47Å; S86-Y88 WeakPolarHBondContact CB-OH 3.28Å; S86-C155 PolarHBondContact OG-SG 2.87Å
87	L	98.2	Very high	96.1	Very high	69 Å²	69	37 Å²	37	36%	0.361	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.2	-177.8	-58.8	176.4	0	0	0	109.5	L70 L75 M76 A77 F156	L70-L87 HydrophobicContact CD1-CD2 4.15Å; L75-L87 HydrophobicContact CD1-CB 4.36Å; L75-L87 HydrophobicContact CD1-CD1 4.1Å; M76-L87 WeakPolarHBondContact O-CA 3.21Å; A77-L87 HydrophobicContact CB-CD2 3.67Å; L87-F156 WeakPolarHBondContact O-CD2 3.45Å
88	Y	98.6	Very high	96	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	121.6	-177.5	-58.3	-86.4	0	0	0	110.3	M76 V78 S86 W92 L151 F156	M76-Y88 HydrophobicContact CE-CD2 3.89Å; M76-Y88 HydrophobicContact CE-CG 4.3Å; M76-Y88 PolarHBondContact N-O 3.47Å; M76-Y88 PolarHBondContact O-N 3.28Å; V78-Y88 HydrophobicContact CB-CE2 4.22Å; V78-Y88 HydrophobicContact CG2-CD2 4Å; V78-Y88 HydrophobicContact CG2-CE2 3.78Å; S86-Y88 WeakPolarHBondContact CB-OH 3.28Å; Y88-W92 HydrophobicContact CD1-CE3 4.25Å; Y88-W92 HydrophobicContact CD1-CH2 4.34Å; Y88-W92 AromaticContact CD1-CZ3 3.65Å; Y88-W92 HydrophobicContact CD1-CZ3 3.65Å; Y88-W92 HydrophobicContact CE1-CZ3 4.4Å; Y88-W92 HydrophobicContact CG-CZ3 4.48Å; Y88-L151 HydrophobicContact CD1-CD2 4.08Å; Y88-L151 HydrophobicContact CD2-CD2 4.48Å; Y88-L151 HydrophobicContact CE1-CB 4.29Å; Y88-L151 HydrophobicContact CE1-CD2 4.06Å; Y88-L151 WeakPolarHBondContact CE1-O 3.39Å; Y88-L151 HydrophobicContact CE2-CB 4.43Å; Y88-L151 HydrophobicContact CE2-CD2 4.47Å; Y88-L151 HydrophobicContact CG-CD2 4.3Å; Y88-L151 PolarHBondContact OH-O 2.92Å; Y88-F156 HydrophobicContact CD1-CD2 4.16Å; Y88-F156 HydrophobicContact CD1-CE2 4.11Å
89	P	98.6	Very high	96	Very high	44 Å²	44	40.1 Å²	40.1	29%	0.286	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	137.7	178.3	-23	33.8	0	0	0	112.7	L75 T91 W92 L93	L75-P89 HydrophobicContact CD2-CB 4.18Å; L75-P89 HydrophobicContact CD2-CG 4.02Å; P89-T91 VanDerWaalsContact C-N 3.3Å; P89-T91 PolarHBondContact O-N 2.92Å; P89-W92 HydrophobicContact CB-CB 4.13Å; P89-W92 HydrophobicContact CG-CB 4.43Å; P89-W92 PolarHBondContact O-N 3.44Å; P89-W92 VanDerWaalsContact O-N 3.08Å; P89-L93 PolarHBondContact O-N 3.23Å
90	F	98.5	Very high	96	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-53	-47.9	177.5	-67.1	-7.1	0	0	0	111.7	A69 R74 L75 M76 W92 L93 R94 T121 M123 W138	A69-F90 HydrophobicContact CB-CE1 4.41Å; A69-F90 HydrophobicContact CB-CZ 3.98Å; R74-F90 HydrophobicContact CB-CD2 3.81Å; R74-F90 HydrophobicContact CB-CE2 4.22Å; R74-F90 HydrophobicContact CB-CG 4.23Å; R74-F90 HydrophobicContact CG-CD2 4.34Å; R74-F90 WeakPolarHBondContact O-CD1 3.42Å; R74-F90 VanDerWaalsContact O-CG 3.28Å; R74-F90 WeakPolarHBondContact O-CG 3.25Å; R74-F90 PolarHBondContact O-N 3.28Å; L75-F90 VanDerWaalsContact O-CE1 3.28Å; L75-F90 WeakPolarHBondContact O-CE1 3.45Å; M76-F90 HydrophobicContact CB-CE1 4.35Å; F90-W92 VanDerWaalsContact C-N 3.32Å; F90-W92 PolarHBondContact O-N 2.89Å; F90-L93 PolarHBondContact O-N 2.82Å; F90-R94 PolarHBondContact O-N 2.94Å; F90-T121 HydrophobicContact CB-CG2 4.2Å; F90-M123 HydrophobicContact CD1-CB 4.35Å; F90-M123 HydrophobicContact CD1-CE 3.44Å; F90-M123 VanDerWaalsContact CD1-CE 3.44Å; F90-M123 HydrophobicContact CD1-SD 4.32Å; F90-M123 HydrophobicContact CD2-CB 4.08Å; F90-M123 HydrophobicContact CE1-CB 4.02Å; F90-M123 HydrophobicContact CE1-CE 3.56Å; F90-M123 HydrophobicContact CE1-SD 3.82Å; F90-M123 HydrophobicContact CE2-CB 3.76Å; F90-M123 HydrophobicContact CG-CB 4.37Å; F90-M123 HydrophobicContact CG-CE 4.19Å; F90-M123 HydrophobicContact CZ-CB 3.74Å; F90-M123 HydrophobicContact CZ-CE 4.41Å; F90-M123 HydrophobicContact CZ-SD 4.29Å; F90-W138 HydrophobicContact CB-CZ3 4.19Å; F90-W138 WeakPolarHBondContact O-CH2 3.44Å
91	T	98.2	Very high	96.2	Very high	35 Å²	35	51.9 Å²	51.9	22%	0.215	29%	0.285	C	S	.	.	H	α-helix	trans	-57.4	-41.9	177.5	-48.9	0	0	0	0	112.6	P89 R94 D95 L117 I119	P89-T91 VanDerWaalsContact C-N 3.3Å; P89-T91 PolarHBondContact O-N 2.92Å; T91-R94 PolarHBondContact O-N 2.99Å; T91-D95 WeakPolarHBondContact O-CB 3.21Å; T91-D95 PolarHBondContact O-N 2.8Å; T91-L117 HydrophobicContact CG2-CD2 4.05Å; T91-L117 HydrophobicContact CG2-CG 4.42Å; T91-I119 HydrophobicContact CG2-CB 4.16Å; T91-I119 HydrophobicContact CG2-CG2 4.23Å; T91-I119 PolarHBondContact OG1-O 2.98Å
92	W	98.6	Very high	96.5	Very high	53 Å²	53	46.7 Å²	46.7	20%	0.201	26%	0.261	C	S	.	.	H	α-helix	trans	-70.4	-39.6	178.8	176.8	84.2	0	0	0	112	Y88 P89 F90 D95 N96 W150 L151 R154 F156	Y88-W92 HydrophobicContact CD1-CE3 4.25Å; Y88-W92 HydrophobicContact CD1-CH2 4.34Å; Y88-W92 AromaticContact CD1-CZ3 3.65Å; Y88-W92 HydrophobicContact CD1-CZ3 3.65Å; Y88-W92 HydrophobicContact CE1-CZ3 4.4Å; Y88-W92 HydrophobicContact CG-CZ3 4.48Å; P89-W92 HydrophobicContact CB-CB 4.13Å; P89-W92 HydrophobicContact CG-CB 4.43Å; P89-W92 PolarHBondContact O-N 3.44Å; P89-W92 VanDerWaalsContact O-N 3.08Å; F90-W92 VanDerWaalsContact C-N 3.32Å; F90-W92 PolarHBondContact O-N 2.89Å; W92-D95 PolarHBondContact O-N 3.08Å; W92-N96 PolarHBondContact NE1-ND2 2.93Å; W92-N96 WeakPolarHBondContact O-CB 3.4Å; W92-N96 PolarHBondContact O-N 2.99Å; W92-N96 PolarHBondContact O-ND2 3.48Å; W92-W150 HydrophobicContact CH2-CE3 4.41Å; W92-W150 AromaticContact CH2-CH2 3.32Å; W92-W150 HydrophobicContact CH2-CH2 3.32Å; W92-W150 HydrophobicContact CH2-CZ2 4.35Å; W92-W150 AromaticContact CH2-CZ3 3.38Å; W92-W150 HydrophobicContact CH2-CZ3 3.38Å; W92-W150 AromaticContact CZ2-CH2 3.82Å; W92-W150 HydrophobicContact CZ2-CH2 3.82Å; W92-W150 HydrophobicContact CZ2-CZ3 4.31Å; W92-W150 AromaticContact CZ3-CH2 3.94Å; W92-W150 HydrophobicContact CZ3-CH2 3.94Å; W92-W150 AromaticContact CZ3-CZ3 3.76Å; W92-W150 HydrophobicContact CZ3-CZ3 3.76Å; W92-L151 HydrophobicContact CZ3-CD2 4.43Å; W92-R154 HydrophobicContact CH2-CB 3.64Å; W92-R154 HydrophobicContact CH2-CG 4.34Å; W92-R154 HydrophobicContact CZ2-CB 3.89Å; W92-R154 HydrophobicContact CZ2-CG 4.31Å; W92-F156 HydrophobicContact CB-CZ 4.44Å; W92-F156 AromaticContact CD1-CZ 3.85Å; W92-F156 AromaticContact CD2-CE2 3.82Å; W92-F156 HydrophobicContact CD2-CE2 3.82Å; W92-F156 AromaticContact CD2-CZ 3.68Å; W92-F156 HydrophobicContact CD2-CZ 3.68Å; W92-F156 AromaticContact CE2-CZ 3.78Å; W92-F156 AromaticContact CE3-CE2 3.91Å; W92-F156 HydrophobicContact CE3-CE2 3.91Å; W92-F156 HydrophobicContact CE3-CZ 4.26Å; W92-F156 HydrophobicContact CG-CE2 4.24Å; W92-F156 AromaticContact CG-CZ 3.73Å; W92-F156 HydrophobicContact CG-CZ 3.73Å; W92-F156 HydrophobicContact CZ2-CE2 4.47Å; W92-F156 HydrophobicContact CZ2-CZ 4.42Å; W92-F156 HydrophobicContact CZ3-CE2 4.28Å; W92-F156 AromaticContact NE1-CZ 3.86Å
93	L	98.6	Very high	96.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-47.5	173.3	-71.6	166.1	0	0	0	110.7	M76 P89 F90 D95 N96 C97 M123 I136 W138 F146 L151	M76-L93 HydrophobicContact CB-CD1 3.71Å; M76-L93 HydrophobicContact CE-CD1 3.79Å; M76-L93 HydrophobicContact CE-CD2 4.05Å; M76-L93 HydrophobicContact CG-CD1 4.38Å; M76-L93 HydrophobicContact SD-CD1 3.75Å; P89-L93 PolarHBondContact O-N 3.23Å; F90-L93 PolarHBondContact O-N 2.82Å; L93-D95 VanDerWaalsContact C-N 3.34Å; L93-D95 PolarHBondContact O-N 3.35Å; L93-N96 CarbonylContact O-C 3.48Å; L93-N96 PolarHBondContact O-N 2.8Å; L93-N96 VanDerWaalsContact O-N 3.15Å; L93-C97 PolarHBondContact O-N 2.87Å; L93-M123 HydrophobicContact CD1-CE 4.16Å; L93-I136 HydrophobicContact CB-CD1 4.48Å; L93-I136 HydrophobicContact CD1-CD1 3.95Å; L93-W138 HydrophobicContact CB-CH2 3.66Å; L93-W138 HydrophobicContact CB-CZ2 3.99Å; L93-F146 HydrophobicContact CB-CE2 4.4Å; L93-F146 HydrophobicContact CB-CZ 4.25Å; L93-F146 HydrophobicContact CD2-CD2 4.34Å; L93-F146 HydrophobicContact CD2-CE1 4.43Å; L93-F146 HydrophobicContact CD2-CE2 4.09Å; L93-F146 HydrophobicContact CD2-CZ 4.15Å; L93-F146 VanDerWaalsContact O-CZ 3.28Å; L93-F146 WeakPolarHBondContact O-CZ 3.4Å; L93-L151 HydrophobicContact CD2-CD2 3.77Å
94	R	98.4	Very high	97.4	Very high	19 Å²	19	43.2 Å²	43.2	7%	0.072	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-36.5	179	-176.3	58.3	179.8	70.7	5.2	112.9	F90 T91 N96 L112 L117 T121 W138 D140	F90-R94 PolarHBondContact O-N 2.94Å; T91-R94 PolarHBondContact O-N 2.99Å; R94-N96 VanDerWaalsContact C-N 3.32Å; R94-L112 WeakPolarHBondContact O-CD2 3.34Å; R94-L117 HydrophobicContact CB-CD1 3.99Å; R94-L117 HydrophobicContact CG-CD1 3.69Å; R94-T121 HydrophobicContact CB-CG2 4.13Å; R94-T121 HydrophobicContact CG-CG2 4.48Å; R94-W138 HydrophobicContact CB-CD2 4.29Å; R94-W138 HydrophobicContact CB-CE3 4.27Å; R94-W138 HydrophobicContact CB-CH2 3.95Å; R94-W138 HydrophobicContact CB-CZ2 3.92Å; R94-W138 HydrophobicContact CB-CZ3 4.11Å; R94-W138 HydrophobicContact CG-CD2 4.37Å; R94-D140 IonicContact CZ-OD2 3.55Å; R94-D140 IonicContact NE-OD2 3.47Å; R94-D140 IonicContact NH2-OD2 2.83Å; R94-D140 PolarHBondContact NH2-OD2 3.18Å
95	D	98.4	Very high	97.4	Very high	29 Å²	29	46.4 Å²	46.4	16%	0.155	23%	0.233	C	C	.	.	H	α-helix	trans	-62.6	-35.3	172.4	174.2	53.9	0	0	0	113	T91 W92 L93 R110 L117	T91-D95 WeakPolarHBondContact O-CB 3.21Å; T91-D95 PolarHBondContact O-N 2.8Å; W92-D95 PolarHBondContact O-N 3.08Å; L93-D95 VanDerWaalsContact C-N 3.34Å; L93-D95 PolarHBondContact O-N 3.35Å; D95-R110 PolarHBondContact O-NE 2.84Å; D95-R110 IonicContact OD1-CZ 2.7Å; D95-R110 IonicContact OD1-NE 2.85Å; D95-R110 PolarHBondContact OD1-NE 2.64Å; D95-R110 IonicContact OD1-NH2 3.29Å; D95-R110 PolarHBondContact OD1-NH2 3.22Å; D95-R110 IonicContact OD2-CZ 2.89Å; D95-R110 IonicContact OD2-NE 3.74Å; D95-R110 IonicContact OD2-NH2 3.38Å; D95-R110 PolarHBondContact OD2-NH2 3Å; D95-L117 HydrophobicContact CB-CD1 4.47Å; D95-L117 HydrophobicContact CB-CD2 3.75Å
96	N	98.3	Very high	97.5	Very high	34 Å²	34	46.9 Å²	46.9	18%	0.182	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	23.1	-174.8	-67.8	-89.9	0	0	0	113.1	W92 L93 R94 Q98 R110 F146 W150	W92-N96 PolarHBondContact NE1-ND2 2.93Å; W92-N96 WeakPolarHBondContact O-CB 3.4Å; W92-N96 PolarHBondContact O-N 2.99Å; W92-N96 PolarHBondContact O-ND2 3.48Å; L93-N96 CarbonylContact O-C 3.48Å; L93-N96 PolarHBondContact O-N 2.8Å; L93-N96 VanDerWaalsContact O-N 3.15Å; R94-N96 VanDerWaalsContact C-N 3.32Å; N96-Q98 PolarHBondContact O-N 2.84Å; N96-R110 PolarHBondContact OD1-NH2 3.2Å; N96-F146 WeakPolarHBondContact O-CE1 3.46Å; N96-W150 HydrophobicContact CB-CH2 3.7Å; N96-W150 HydrophobicContact CB-CZ2 4.04Å
97	C	98.1	Very high	97.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.268	C	S	.	.			trans	-55.8	124	175.1	177.7	0	0	0	0	111.9	L93 C99 C102 T103 H142 S144	L93-C97 PolarHBondContact O-N 2.87Å; C97-C99 VanDerWaalsContact C-N 3.34Å; C97-C99 PolarHBondContact O-N 2.7Å; C97-C102 HydrophobicContact CB-CB 3.7Å; C97-C102 WeakPolarHBondContact O-CB 3.22Å; C97-T103 PolarHBondContact O-OG1 3.18Å; C97-H142 PolarHBondContact SG-NE2 3.29Å; C97-S144 WeakPolarHBondContact CB-OG 3.33Å; C97-S144 PolarHBondContact SG-OG 2.78Å
98	Q	95.8	Very high	97.1	Very high	37 Å²	37	52.1 Å²	52.1	17%	0.173	28%	0.28	C	S	.	.			trans	-87.7	1.7	-175.4	-54.5	-172.4	22.3	0	0	114	N96 Q105 W150	N96-Q98 PolarHBondContact O-N 2.84Å; Q98-Q105 PolarHBondContact O-NE2 2.94Å; Q98-W150 VanDerWaalsContact NE2-CD1 3.29Å; Q98-W150 VanDerWaalsContact NE2-CG 3.31Å; Q98-W150 VanDerWaalsContact NE2-NE1 3.17Å
99	C	96.6	Very high	97	Very high	30 Å²	30	54.2 Å²	54.2	20%	0.203	30%	0.297	C	S	.	.	S	Bend	trans	-67.1	156.1	-179.3	87.3	0	0	0	0	111.1	C97 R101 C102 T103 H142	C97-C99 VanDerWaalsContact C-N 3.34Å; C97-C99 PolarHBondContact O-N 2.7Å; C99-R101 PolarHBondContact O-N 2.81Å; C99-C102 PolarHBondContact O-N 2.78Å; C99-T103 PolarHBondContact O-N 2.79Å; C99-H142 PolarHBondContact SG-NE2 2.81Å
100	P	97.1	Very high	97	Very high	111 Å²	111	57.8 Å²	57.8	72%	0.721	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-13.7	-178.6	-25.9	35.7	0	0	0	115.8
101	R	96.9	Very high	97	Very high	199 Å²	199	61.7 Å²	61.7	75%	0.751	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-24.1	173	-63	178.4	63.9	-170.7	-1.9	113.1	C99	C99-R101 PolarHBondContact O-N 2.81Å
102	C	97.8	Very high	96.9	Very high	5 Å²	5	61 Å²	61	3%	0.034	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-18.9	-174.1	-69.6	0	0	0	0	113.3	C97 C99 L111 L112 H142	C97-C102 HydrophobicContact CB-CB 3.7Å; C97-C102 WeakPolarHBondContact O-CB 3.22Å; C99-C102 PolarHBondContact O-N 2.78Å; C102-L111 PolarHBondContact O-N 3.42Å; C102-L112 HydrophobicContact CB-CB 4.29Å; C102-L112 PolarHBondContact O-N 3Å; C102-H142 PolarHBondContact SG-CE1 2.71Å
103	T	97.3	Very high	96.9	Very high	23 Å²	23	63.5 Å²	63.5	14%	0.141	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	127.9	176.5	-66.9	0	0	0	0	111.2	C97 C99 Q105 A109	C97-T103 PolarHBondContact O-OG1 3.18Å; C99-T103 PolarHBondContact O-N 2.79Å; T103-Q105 PolarHBondContact O-N 2.91Å; T103-A109 CarbonylContact C-O 3.59Å; T103-A109 WeakPolarHBondContact CA-O 3.28Å
104	L	96.9	Very high	96.8	Very high	78 Å²	78	69.3 Å²	69.3	41%	0.408	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	94	171.1	-179.3	59.9	0	0	0	109	S106 A107 E108 A109 L111	L104-S106 PolarHBondContact O-N 3.49Å; L104-S106 VanDerWaalsContact O-N 3.15Å; L104-A107 HydrophobicContact CD2-CB 3.89Å; L104-A107 HydrophobicContact CG-CB 4.07Å; L104-A107 CarbonylContact O-C 3.46Å; L104-A107 PolarHBondContact O-N 2.93Å; L104-E108 PolarHBondContact O-N 2.9Å; L104-A109 PolarHBondContact N-O 3.34Å; L104-A109 PolarHBondContact O-N 2.93Å; L104-L111 HydrophobicContact CB-CD1 4Å; L104-L111 HydrophobicContact CB-CD2 4.01Å; L104-L111 HydrophobicContact CB-CG 3.84Å
105	Q	93.3	Very high	96.8	Very high	97 Å²	97	73 Å²	73	45%	0.453	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.5	-172.7	-71.9	-70.3	-7.8	0	0	114.4	Q98 T103 A107	Q98-Q105 PolarHBondContact O-NE2 2.94Å; T103-Q105 PolarHBondContact O-N 2.91Å; Q105-A107 VanDerWaalsContact C-N 3.3Å; Q105-A107 PolarHBondContact O-N 3.26Å
106	S	95.2	Very high	96.7	Very high	112 Å²	112	76.7 Å²	76.7	78%	0.783	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.8	176.2	52.1	0	0	0	0	114.3	L104	L104-S106 PolarHBondContact O-N 3.49Å; L104-S106 VanDerWaalsContact O-N 3.15Å
107	A	94.6	Very high	96.7	Very high	60 Å²	60	75.8 Å²	75.8	50%	0.496	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-1.9	178.1	0	0	0	0	0	112.8	L104 Q105 A109	L104-A107 HydrophobicContact CD2-CB 3.89Å; L104-A107 HydrophobicContact CG-CB 4.07Å; L104-A107 CarbonylContact O-C 3.46Å; L104-A107 PolarHBondContact O-N 2.93Å; Q105-A107 VanDerWaalsContact C-N 3.3Å; Q105-A107 PolarHBondContact O-N 3.26Å; A107-A109 HydrophobicContact CB-CB 3.98Å; A107-A109 PolarHBondContact O-N 3.07Å; A107-A109 VanDerWaalsContact O-N 3.14Å
108	E	93.7	Very high	96.6	Very high	129 Å²	129	80.1 Å²	80.1	60%	0.603	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	36	-169.5	-57.3	-165.5	150.8	0	0	112.8	L104 K452	L104-E108 PolarHBondContact O-N 2.9Å; E108-K452 IonicContact OE1-NZ 2.83Å; E108-K452 PolarHBondContact OE1-NZ 2.89Å
109	A	96.6	Very high	96.7	Very high	44 Å²	44	82.5 Å²	82.5	36%	0.364	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	147.2	-169.3	0	0	0	0	0	113.4	T103 L104 A107	T103-A109 CarbonylContact C-O 3.59Å; T103-A109 WeakPolarHBondContact CA-O 3.28Å; L104-A109 PolarHBondContact N-O 3.34Å; L104-A109 PolarHBondContact O-N 2.93Å; A107-A109 HydrophobicContact CB-CB 3.98Å; A107-A109 PolarHBondContact O-N 3.07Å; A107-A109 VanDerWaalsContact O-N 3.14Å
110	R	98.1	Very high	96.7	Very high	118 Å²	118	86.8 Å²	86.8	45%	0.445	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	131.2	179.1	-172.3	-173	-70	99.8	-8.5	111.4	D95 N96 L112	D95-R110 PolarHBondContact O-NE 2.84Å; D95-R110 IonicContact OD1-CZ 2.7Å; D95-R110 IonicContact OD1-NE 2.85Å; D95-R110 PolarHBondContact OD1-NE 2.64Å; D95-R110 IonicContact OD1-NH2 3.29Å; D95-R110 PolarHBondContact OD1-NH2 3.22Å; D95-R110 IonicContact OD2-CZ 2.89Å; D95-R110 IonicContact OD2-NE 3.74Å; D95-R110 IonicContact OD2-NH2 3.38Å; D95-R110 PolarHBondContact OD2-NH2 3Å; N96-R110 PolarHBondContact OD1-NH2 3.2Å; R110-L112 VanDerWaalsContact CD-O 3.25Å; R110-L112 WeakPolarHBondContact CD-O 3.41Å; R110-L112 HydrophobicContact CG-CB 3.97Å; R110-L112 WeakPolarHBondContact CG-O 3.46Å
111	L	98	Very high	96.7	Very high	83 Å²	83	81.9 Å²	81.9	44%	0.435	44%	0.436	S	S	.	.			trans	-96.3	-28.6	168.5	-71.5	172.6	0	0	0	112.8	C102 L104 L113	C102-L111 PolarHBondContact O-N 3.42Å; L104-L111 HydrophobicContact CB-CD1 4Å; L104-L111 HydrophobicContact CB-CD2 4.01Å; L104-L111 HydrophobicContact CB-CG 3.84Å; L111-L113 PolarHBondContact O-N 2.88Å
112	L	97.6	Very high	96.7	Very high	19 Å²	19	73.6 Å²	73.6	10%	0.099	41%	0.412	C	S	.	.	S	Bend	trans	-59.9	123.5	177	-178.6	70.2	0	0	0	110.3	R94 C102 R110 D116 L117	R94-L112 WeakPolarHBondContact O-CD2 3.34Å; C102-L112 HydrophobicContact CB-CB 4.29Å; C102-L112 PolarHBondContact O-N 3Å; R110-L112 VanDerWaalsContact CD-O 3.25Å; R110-L112 WeakPolarHBondContact CD-O 3.41Å; R110-L112 HydrophobicContact CG-CB 3.97Å; R110-L112 WeakPolarHBondContact CG-O 3.46Å; L112-D116 HydrophobicContact CD1-CB 4.22Å; L112-L117 HydrophobicContact CD2-CD1 4.3Å
113	L	97.9	Very high	96.6	Very high	107 Å²	107	74.1 Å²	74.1	56%	0.56	41%	0.414	S	S	*	.			trans	-81	144.1	175.5	-53.1	179.8	0	0	0	109.8	L111 A115 D116 L117	L111-L113 PolarHBondContact O-N 2.88Å; L113-A115 PolarHBondContact O-N 3Å; L113-D116 WeakPolarHBondContact CB-OD2 3.4Å; L113-D116 PolarHBondContact O-N 2.82Å; L113-L117 PolarHBondContact O-N 2.87Å
114	M	97.3	Very high	96.6	Very high	121 Å²	121	77.2 Å²	77.2	60%	0.596	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-59.9	-27.9	175.1	-172.1	65.7	-146.7	0	0	112.4	D116 L117 I119	M114-D116 VanDerWaalsContact C-N 3.28Å; M114-D116 PolarHBondContact O-N 3.14Å; M114-L117 HydrophobicContact CE-CD2 3.95Å; M114-L117 PolarHBondContact O-N 2.88Å; M114-L117 HydrophobicContact SD-CD2 3.96Å; M114-I119 HydrophobicContact CE-CG2 3.5Å; M114-I119 VanDerWaalsContact CE-CG2 3.5Å
115	A	97.5	Very high	96.6	Very high	96 Å²	96	76.3 Å²	76.3	79%	0.793	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-70.7	-21.5	175.8	0	0	0	0	0	113.7	L113	L113-A115 PolarHBondContact O-N 3Å
116	D	96.3	Very high	96.9	Very high	107 Å²	107	73.1 Å²	73.1	57%	0.572	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-97.5	-0.7	179.3	-56.1	-33.6	0	0	0	112.2	L112 L113 M114	L112-D116 HydrophobicContact CD1-CB 4.22Å; L113-D116 WeakPolarHBondContact CB-OD2 3.4Å; L113-D116 PolarHBondContact O-N 2.82Å; M114-D116 VanDerWaalsContact C-N 3.28Å; M114-D116 PolarHBondContact O-N 3.14Å
117	L	97.6	Very high	96.9	Very high	16 Å²	16	73.4 Å²	73.4	8%	0.084	41%	0.406	C	S	.	.			trans	-93.3	114.3	179.1	177.1	66.1	0	0	0	110.3	T91 R94 D95 L112 L113 M114 I119	T91-L117 HydrophobicContact CG2-CD2 4.05Å; T91-L117 HydrophobicContact CG2-CG 4.42Å; R94-L117 HydrophobicContact CB-CD1 3.99Å; R94-L117 HydrophobicContact CG-CD1 3.69Å; D95-L117 HydrophobicContact CB-CD1 4.47Å; D95-L117 HydrophobicContact CB-CD2 3.75Å; L112-L117 HydrophobicContact CD2-CD1 4.3Å; L113-L117 PolarHBondContact O-N 2.87Å; M114-L117 HydrophobicContact CE-CD2 3.95Å; M114-L117 PolarHBondContact O-N 2.88Å; M114-L117 HydrophobicContact SD-CD2 3.96Å; L117-I119 PolarHBondContact O-N 3.03Å; L117-I119 VanDerWaalsContact O-N 3.12Å
118	D	97.2	Very high	96.9	Very high	91 Å²	91	73.2 Å²	73.2	49%	0.487	40%	0.399	S	S	.	.			trans	-68.7	107.1	164.5	179.7	14.1	0	0	0	110.1	H120 T121	D118-H120 PolarHBondContact O-N 3.15Å; D118-H120 WeakPolarHBondContact OD1-CA 3.37Å; D118-H120 PolarHBondContact OD1-N 3.4Å; D118-T121 VanDerWaalsContact CG-N 3.34Å; D118-T121 WeakPolarHBondContact O-CB 3.3Å; D118-T121 WeakPolarHBondContact O-CG2 3.46Å; D118-T121 PolarHBondContact O-N 3.45Å; D118-T121 VanDerWaalsContact O-N 3.15Å; D118-T121 WeakPolarHBondContact OD2-CA 3.43Å; D118-T121 PolarHBondContact OD2-N 3.14Å
119	I	96.9	Very high	96.8	Very high	86 Å²	86	68.6 Å²	68.6	44%	0.441	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-10.9	176.5	62.9	166.9	0	0	0	113.4	T91 M114 L117	T91-I119 HydrophobicContact CG2-CB 4.16Å; T91-I119 HydrophobicContact CG2-CG2 4.23Å; T91-I119 PolarHBondContact OG1-O 2.98Å; M114-I119 HydrophobicContact CE-CG2 3.5Å; M114-I119 VanDerWaalsContact CE-CG2 3.5Å; L117-I119 PolarHBondContact O-N 3.03Å; L117-I119 VanDerWaalsContact O-N 3.12Å
120	H	96.4	Very high	96.3	Very high	121 Å²	121	77.1 Å²	77.1	56%	0.56	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	26.4	175	-54.8	-47.9	0	0	0	112.2	R74 D118	R74-H120 VanDerWaalsContact NH1-C 3.29Å; R74-H120 PolarHBondContact NH1-O 2.67Å; D118-H120 PolarHBondContact O-N 3.15Å; D118-H120 WeakPolarHBondContact OD1-CA 3.37Å; D118-H120 PolarHBondContact OD1-N 3.4Å
121	T	96.8	Very high	95.8	Very high	8 Å²	8	76.9 Å²	76.9	5%	0.049	42%	0.416	C	S	.	.			trans	-55.5	140.8	173.5	-175.6	0	0	0	0	111.6	R74 F90 R94 D118 W138	R74-T121 PolarHBondContact NH1-O 2.89Å; F90-T121 HydrophobicContact CB-CG2 4.2Å; R94-T121 HydrophobicContact CB-CG2 4.13Å; R94-T121 HydrophobicContact CG-CG2 4.48Å; D118-T121 VanDerWaalsContact CG-N 3.34Å; D118-T121 WeakPolarHBondContact O-CB 3.3Å; D118-T121 WeakPolarHBondContact O-CG2 3.46Å; D118-T121 PolarHBondContact O-N 3.45Å; D118-T121 VanDerWaalsContact O-N 3.15Å; D118-T121 WeakPolarHBondContact OD2-CA 3.43Å; D118-T121 PolarHBondContact OD2-N 3.14Å; T121-W138 HydrophobicContact CG2-CE3 4.49Å; T121-W138 HydrophobicContact CG2-CZ3 4.37Å
122	G	96.9	Very high	95.4	Very high	24 Å²	24	74.4 Å²	74.4	25%	0.247	41%	0.41	C	S	.	.			trans	-86.2	-163.4	164.2	0	0	0	0	0	111.7	W138	G122-W138 VanDerWaalsContact O-CE3 3.28Å
123	M	97.4	Very high	95.3	Very high	16 Å²	16	76 Å²	76	8%	0.079	42%	0.416	C	S	.	.			trans	-140.8	117	173	179.9	171.4	-67.9	0	0	107.8	A69 M76 F90 L93 V126 I136 W138	A69-M123 HydrophobicContact CB-SD 4.02Å; M76-M123 HydrophobicContact CB-CE 4.18Å; M76-M123 HydrophobicContact SD-CE 4.41Å; F90-M123 HydrophobicContact CD1-CB 4.35Å; F90-M123 HydrophobicContact CD1-CE 3.44Å; F90-M123 VanDerWaalsContact CD1-CE 3.44Å; F90-M123 HydrophobicContact CD1-SD 4.32Å; F90-M123 HydrophobicContact CD2-CB 4.08Å; F90-M123 HydrophobicContact CE1-CB 4.02Å; F90-M123 HydrophobicContact CE1-CE 3.56Å; F90-M123 HydrophobicContact CE1-SD 3.82Å; F90-M123 HydrophobicContact CE2-CB 3.76Å; F90-M123 HydrophobicContact CG-CB 4.37Å; F90-M123 HydrophobicContact CG-CE 4.19Å; F90-M123 HydrophobicContact CZ-CB 3.74Å; F90-M123 HydrophobicContact CZ-CE 4.41Å; F90-M123 HydrophobicContact CZ-SD 4.29Å; L93-M123 HydrophobicContact CD1-CE 4.16Å; M123-V126 HydrophobicContact SD-CB 3.68Å; M123-V126 HydrophobicContact SD-CG1 3.82Å; M123-V126 HydrophobicContact SD-CG2 4.37Å; M123-I136 HydrophobicContact CE-CD1 3.83Å; M123-I136 HydrophobicContact CE-CG2 3.71Å; M123-I136 HydrophobicContact CG-CG2 3.86Å; M123-I136 HydrophobicContact SD-CG2 4.1Å; M123-W138 HydrophobicContact CE-CH2 3.94Å; M123-W138 HydrophobicContact CE-CZ3 3.97Å
124	D	97.1	Very high	95.2	Very high	89 Å²	89	70.9 Å²	70.9	48%	0.476	39%	0.39	S	S	.	.	S	Bend	trans	-77	-38.4	-176.6	-77.9	10.5	0	0	0	111	V137 P139 Q141	D124-V137 HydrophobicContact CB-CB 4.34Å; D124-V137 HydrophobicContact CB-CG1 4.23Å; D124-V137 PolarHBondContact N-O 3.05Å; D124-P139 WeakPolarHBondContact OD1-CA 2.97Å; D124-P139 WeakPolarHBondContact OD1-CG 3.26Å; D124-Q141 PolarHBondContact OD2-NE2 3.22Å
125	S	97.1	Very high	95.2	Very high	59 Å²	59	65.5 Å²	65.5	41%	0.413	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	157.7	173.2	69.9	0	0	0	0	112.2	I136 V137	S125-I136 WeakPolarHBondContact O-CA 3.44Å; S125-V137 PolarHBondContact N-O 2.92Å; S125-V137 PolarHBondContact O-N 3.29Å; S125-V137 WeakPolarHBondContact OG-CB 3.4Å; S125-V137 WeakPolarHBondContact OG-CG2 3.42Å
126	V	97.8	Very high	95.3	Very high	29 Å²	29	61 Å²	61	18%	0.176	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	136.1	172	61.1	0	0	0	0	110.5	V67 A69 M76 M123 V134 S135 I136	V67-V126 HydrophobicContact CB-CG2 4.35Å; V67-V126 HydrophobicContact CG1-CG1 4.45Å; V67-V126 HydrophobicContact CG1-CG2 3.8Å; V67-V126 HydrophobicContact CG2-CG1 4.38Å; V67-V126 HydrophobicContact CG2-CG2 3.57Å; A69-V126 HydrophobicContact CB-CG1 4.38Å; M76-V126 HydrophobicContact CG-CG2 4.46Å; M76-V126 HydrophobicContact SD-CG2 3.9Å; M123-V126 HydrophobicContact SD-CB 3.68Å; M123-V126 HydrophobicContact SD-CG1 3.82Å; M123-V126 HydrophobicContact SD-CG2 4.37Å; V126-V134 HydrophobicContact CG2-CG1 3.45Å; V126-V134 VanDerWaalsContact CG2-CG1 3.45Å; V126-S135 WeakPolarHBondContact CA-O 3.46Å; V126-I136 HydrophobicContact CG2-CG1 4.06Å
127	E	96	Very high	95.4	Very high	118 Å²	118	57.1 Å²	57.1	55%	0.551	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144	155.8	-180	63.6	179.3	-178.3	0	0	111.8	S135	E127-S135 PolarHBondContact N-O 3.47Å; E127-S135 PolarHBondContact O-N 3.09Å
128	V	94.4	Very high	95.4	Very high	57 Å²	57	56.4 Å²	56.4	35%	0.345	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	123.6	167.2	-175	0	0	0	0	108.5	M64 V67 K133	M64-V128 HydrophobicContact CE-CG1 4.24Å; V67-V128 HydrophobicContact CB-CG2 4.2Å; V67-V128 HydrophobicContact CG1-CG2 3.69Å; V128-K133 CarbonylContact C-O 3.18Å; V128-K133 WeakPolarHBondContact CA-O 3.45Å
129	T	91.7	Very high	95.4	Very high	32 Å²	32	55 Å²	55	20%	0.196	30%	0.299	C	S	.	.			trans	-74	164.2	178.5	65.5	0	0	0	0	111.5	D131 G132 K133	T129-D131 WeakPolarHBondContact CB-OD1 3.26Å; T129-D131 PolarHBondContact O-N 3Å; T129-D131 VanDerWaalsContact O-N 3.16Å; T129-D131 PolarHBondContact OG1-OD1 3.15Å; T129-G132 PolarHBondContact O-N 3.43Å; T129-K133 PolarHBondContact N-O 2.55Å; T129-K133 WeakPolarHBondContact OG1-CA 3.44Å; T129-K133 WeakPolarHBondContact OG1-CB 3.34Å; T129-K133 PolarHBondContact OG1-N 3.16Å; T129-K133 PolarHBondContact OG1-O 3.26Å
130	K	86.8	Confident	95.4	Very high	223 Å²	223	55.4 Å²	55.4	97%	0.97	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.2	-178.9	-65.5	-178.1	-178.9	176.8	0	114
131	D	87.7	Confident	95.4	Very high	113 Å²	113	55.9 Å²	55.9	60%	0.604	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	10.2	175.2	59.7	-38.5	0	0	0	113.3	T129 K133	T129-D131 WeakPolarHBondContact CB-OD1 3.26Å; T129-D131 PolarHBondContact O-N 3Å; T129-D131 VanDerWaalsContact O-N 3.16Å; T129-D131 PolarHBondContact OG1-OD1 3.15Å; D131-K133 WeakPolarHBondContact OD2-CD 3.5Å; D131-K133 WeakPolarHBondContact OD2-CE 3.34Å
132	G	89.1	Confident	95.5	Very high	31 Å²	31	56 Å²	56	32%	0.32	31%	0.305	S	S	.	.	S	Bend	trans	78	24.5	171.9	0	0	0	0	0	114.8	M64 T129	M64-G132 WeakPolarHBondContact CE-O 3.15Å; T129-G132 PolarHBondContact O-N 3.43Å
133	K	94.9	Very high	95.6	Very high	52 Å²	52	60.2 Å²	60.2	23%	0.226	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	163	173.3	-51.5	-170.7	-171.5	-132	0	110.1	V128 T129 D131 V145 F146 D147	V128-K133 CarbonylContact C-O 3.18Å; V128-K133 WeakPolarHBondContact CA-O 3.45Å; T129-K133 PolarHBondContact N-O 2.55Å; T129-K133 WeakPolarHBondContact OG1-CA 3.44Å; T129-K133 WeakPolarHBondContact OG1-CB 3.34Å; T129-K133 PolarHBondContact OG1-N 3.16Å; T129-K133 PolarHBondContact OG1-O 3.26Å; D131-K133 WeakPolarHBondContact OD2-CD 3.5Å; D131-K133 WeakPolarHBondContact OD2-CE 3.34Å; K133-V145 HydrophobicContact CB-CG1 3.74Å; K133-V145 HydrophobicContact CD-CG1 3.77Å; K133-V145 HydrophobicContact CG-CG1 4.39Å; K133-F146 WeakPolarHBondContact CA-O 3.42Å; K133-F146 WeakPolarHBondContact CB-O 3.42Å; K133-D147 WeakPolarHBondContact CD-OD1 3.33Å; K133-D147 VanDerWaalsContact CE-OD1 3.26Å; K133-D147 WeakPolarHBondContact CE-OD1 3.31Å; K133-D147 IonicContact NZ-OD1 3.43Å; K133-D147 PolarHBondContact NZ-OD1 3.41Å; K133-D147 IonicContact NZ-OD2 2.68Å
134	V	96.9	Very high	95.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.7	169.3	-175.2	0	0	0	0	109	M64 V67 M76 V126 I136 V145 F146 L151	M64-V134 HydrophobicContact CE-CG2 3.47Å; M64-V134 VanDerWaalsContact CE-CG2 3.47Å; M64-V134 HydrophobicContact SD-CG2 3.44Å; M64-V134 WeakPolarHBondContact SD-CG2 3.32Å; V67-V134 HydrophobicContact CG2-CG1 4.17Å; M76-V134 HydrophobicContact CE-CG1 4.28Å; M76-V134 HydrophobicContact SD-CG1 3.79Å; V126-V134 HydrophobicContact CG2-CG1 3.45Å; V126-V134 VanDerWaalsContact CG2-CG1 3.45Å; V134-I136 HydrophobicContact CG1-CD1 4.32Å; V134-I136 HydrophobicContact CG1-CG1 3.93Å; V134-V145 CarbonylContact O-C 3.47Å; V134-V145 VanDerWaalsContact O-CA 3.26Å; V134-V145 WeakPolarHBondContact O-CA 3.48Å; V134-F146 PolarHBondContact N-O 2.85Å; V134-F146 PolarHBondContact O-N 2.98Å; V134-L151 HydrophobicContact CB-CD1 4.13Å; V134-L151 HydrophobicContact CG2-CD1 3.51Å
135	S	97.6	Very high	95.6	Very high	8 Å²	8	58.4 Å²	58.4	6%	0.056	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	135.1	169.7	-179.9	0	0	0	0	109.3	V126 E127	V126-S135 WeakPolarHBondContact CA-O 3.46Å; E127-S135 PolarHBondContact N-O 3.47Å; E127-S135 PolarHBondContact O-N 3.09Å
136	I	98.4	Very high	95.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.2	-178.2	-51.7	-173.7	0	0	0	109.3	M76 L93 M123 S125 V126 V134 W138 M143 S144 F146	M76-I136 HydrophobicContact SD-CD1 3.7Å; M76-I136 HydrophobicContact SD-CG1 4.45Å; L93-I136 HydrophobicContact CB-CD1 4.48Å; L93-I136 HydrophobicContact CD1-CD1 3.95Å; M123-I136 HydrophobicContact CE-CD1 3.83Å; M123-I136 HydrophobicContact CE-CG2 3.71Å; M123-I136 HydrophobicContact CG-CG2 3.86Å; M123-I136 HydrophobicContact SD-CG2 4.1Å; S125-I136 WeakPolarHBondContact O-CA 3.44Å; V126-I136 HydrophobicContact CG2-CG1 4.06Å; V134-I136 HydrophobicContact CG1-CD1 4.32Å; V134-I136 HydrophobicContact CG1-CG1 3.93Å; I136-W138 HydrophobicContact CB-CZ2 4.18Å; I136-W138 HydrophobicContact CD1-CH2 4.21Å; I136-W138 HydrophobicContact CD1-CZ2 4.04Å; I136-W138 HydrophobicContact CG2-CD2 3.97Å; I136-W138 HydrophobicContact CG2-CE3 4.19Å; I136-W138 HydrophobicContact CG2-CH2 3.86Å; I136-W138 HydrophobicContact CG2-CZ2 3.64Å; I136-W138 HydrophobicContact CG2-CZ3 4.14Å; I136-M143 WeakPolarHBondContact O-CA 3.48Å; I136-S144 PolarHBondContact N-O 3.09Å; I136-S144 PolarHBondContact O-N 3.02Å; I136-F146 HydrophobicContact CD1-CD2 3.99Å; I136-F146 HydrophobicContact CD1-CE2 3.7Å; I136-F146 HydrophobicContact CG1-CD2 4.43Å; I136-F146 HydrophobicContact CG1-CE2 4.33Å
137	V	98.4	Very high	95.5	Very high	27 Å²	27	56.5 Å²	56.5	16%	0.164	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	132.2	166.5	-173.1	0	0	0	0	109.2	D124 S125 M143	D124-V137 HydrophobicContact CB-CB 4.34Å; D124-V137 HydrophobicContact CB-CG1 4.23Å; D124-V137 PolarHBondContact N-O 3.05Å; S125-V137 PolarHBondContact N-O 2.92Å; S125-V137 PolarHBondContact O-N 3.29Å; S125-V137 WeakPolarHBondContact OG-CB 3.4Å; S125-V137 WeakPolarHBondContact OG-CG2 3.42Å; V137-M143 HydrophobicContact CG2-CE 4.45Å; V137-M143 HydrophobicContact CG2-CG 4.38Å
138	W	98.4	Very high	95.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.275	C	S	.	.			trans	-102.5	160.1	-179.7	-56.8	105.4	0	0	0	111.2	F90 L93 R94 T121 G122 M123 I136 D140 Q141 H142 S144	F90-W138 HydrophobicContact CB-CZ3 4.19Å; F90-W138 WeakPolarHBondContact O-CH2 3.44Å; L93-W138 HydrophobicContact CB-CH2 3.66Å; L93-W138 HydrophobicContact CB-CZ2 3.99Å; R94-W138 HydrophobicContact CB-CD2 4.29Å; R94-W138 HydrophobicContact CB-CE3 4.27Å; R94-W138 HydrophobicContact CB-CH2 3.95Å; R94-W138 HydrophobicContact CB-CZ2 3.92Å; R94-W138 HydrophobicContact CB-CZ3 4.11Å; R94-W138 HydrophobicContact CG-CD2 4.37Å; T121-W138 HydrophobicContact CG2-CE3 4.49Å; T121-W138 HydrophobicContact CG2-CZ3 4.37Å; G122-W138 VanDerWaalsContact O-CE3 3.28Å; M123-W138 HydrophobicContact CE-CH2 3.94Å; M123-W138 HydrophobicContact CE-CZ3 3.97Å; I136-W138 HydrophobicContact CB-CZ2 4.18Å; I136-W138 HydrophobicContact CD1-CH2 4.21Å; I136-W138 HydrophobicContact CD1-CZ2 4.04Å; I136-W138 HydrophobicContact CG2-CD2 3.97Å; I136-W138 HydrophobicContact CG2-CE3 4.19Å; I136-W138 HydrophobicContact CG2-CH2 3.86Å; I136-W138 HydrophobicContact CG2-CZ2 3.64Å; I136-W138 HydrophobicContact CG2-CZ3 4.14Å; W138-D140 WeakPolarHBondContact CB-OD1 3.39Å; W138-D140 PolarHBondContact O-N 3.4Å; W138-D140 VanDerWaalsContact O-N 3.15Å; W138-Q141 VanDerWaalsContact O-CA 3.27Å; W138-Q141 WeakPolarHBondContact O-CA 3.49Å; W138-Q141 PolarHBondContact O-N 3.48Å; W138-Q141 PolarHBondContact O-NE2 3.31Å; W138-H142 HydrophobicContact CB-CB 4.3Å; W138-H142 AromaticContact CD1-CD2 3.93Å; W138-H142 VanDerWaalsContact CD1-O 3.25Å; W138-H142 HydrophobicContact CG-CB 4.46Å; W138-H142 PolarHBondContact N-O 3.24Å; W138-S144 PolarHBondContact NE1-OG 2.89Å
139	P	97.5	Very high	95.3	Very high	63 Å²	63	50.7 Å²	50.7	41%	0.409	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-30.6	-180	-27.1	34.7	0	0	0	115	D124 Q141	D124-P139 WeakPolarHBondContact OD1-CA 2.97Å; D124-P139 WeakPolarHBondContact OD1-CG 3.26Å; P139-Q141 PolarHBondContact O-N 3.14Å; P139-Q141 VanDerWaalsContact O-N 3.15Å; P139-Q141 PolarHBondContact O-NE2 2.86Å
140	D	95.8	Very high	95.5	Very high	94 Å²	94	50 Å²	50	50%	0.503	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	8.6	172.9	69.1	-14.2	0	0	0	113.6	R94 W138 H142	R94-D140 IonicContact CZ-OD2 3.55Å; R94-D140 IonicContact NE-OD2 3.47Å; R94-D140 IonicContact NH2-OD2 2.83Å; R94-D140 PolarHBondContact NH2-OD2 3.18Å; W138-D140 WeakPolarHBondContact CB-OD1 3.39Å; W138-D140 PolarHBondContact O-N 3.4Å; W138-D140 VanDerWaalsContact O-N 3.15Å; D140-H142 PolarHBondContact O-N 2.79Å; D140-H142 WeakPolarHBondContact OD1-CB 3.36Å; D140-H142 PolarHBondContact OD1-N 2.89Å
141	Q	97.5	Very high	96	Very high	130 Å²	130	39.4 Å²	39.4	61%	0.607	22%	0.215	S	C	*	.	S	Bend	trans	58	18.8	-172.3	-51.4	-56.7	-71.6	0	0	113.7	D124 W138 P139	D124-Q141 PolarHBondContact OD2-NE2 3.22Å; W138-Q141 VanDerWaalsContact O-CA 3.27Å; W138-Q141 WeakPolarHBondContact O-CA 3.49Å; W138-Q141 PolarHBondContact O-N 3.48Å; W138-Q141 PolarHBondContact O-NE2 3.31Å; P139-Q141 PolarHBondContact O-N 3.14Å; P139-Q141 VanDerWaalsContact O-N 3.15Å; P139-Q141 PolarHBondContact O-NE2 2.86Å
142	H	98.1	Very high	96.3	Very high	12 Å²	12	36 Å²	36	6%	0.056	20%	0.195	C	C	.	.			trans	-69	149.9	167.9	-165	106.1	0	0	0	109.9	C97 C99 C102 W138 D140	C97-H142 PolarHBondContact SG-NE2 3.29Å; C99-H142 PolarHBondContact SG-NE2 2.81Å; C102-H142 PolarHBondContact SG-CE1 2.71Å; W138-H142 HydrophobicContact CB-CB 4.3Å; W138-H142 AromaticContact CD1-CD2 3.93Å; W138-H142 VanDerWaalsContact CD1-O 3.25Å; W138-H142 HydrophobicContact CG-CB 4.46Å; W138-H142 PolarHBondContact N-O 3.24Å; D140-H142 PolarHBondContact O-N 2.79Å; D140-H142 WeakPolarHBondContact OD1-CB 3.36Å; D140-H142 PolarHBondContact OD1-N 2.89Å
143	M	98.2	Very high	96.5	Very high	112 Å²	112	37.5 Å²	37.5	55%	0.552	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.7	174.5	-63.6	-176.5	72.4	0	0	110.7	I136 V137	I136-M143 WeakPolarHBondContact O-CA 3.48Å; V137-M143 HydrophobicContact CG2-CE 4.45Å; V137-M143 HydrophobicContact CG2-CG 4.38Å
144	S	98.4	Very high	96.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.3	171	-64.9	0	0	0	0	110.7	C97 I136 W138	C97-S144 WeakPolarHBondContact CB-OG 3.33Å; C97-S144 PolarHBondContact SG-OG 2.78Å; I136-S144 PolarHBondContact N-O 3.09Å; I136-S144 PolarHBondContact O-N 3.02Å; W138-S144 PolarHBondContact NE1-OG 2.89Å
145	V	97.5	Very high	96.6	Very high	66 Å²	66	40.2 Å²	40.2	40%	0.4	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.2	170.7	-177	0	0	0	0	109.2	K133 V134	K133-V145 HydrophobicContact CB-CG1 3.74Å; K133-V145 HydrophobicContact CD-CG1 3.77Å; K133-V145 HydrophobicContact CG-CG1 4.39Å; V134-V145 CarbonylContact O-C 3.47Å; V134-V145 VanDerWaalsContact O-CA 3.26Å; V134-V145 WeakPolarHBondContact O-CA 3.48Å
146	F	97.4	Very high	96.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.3	-178.5	-58.9	-84.5	0	0	0	112	L93 N96 K133 V134 I136 W150 L151	L93-F146 HydrophobicContact CB-CE2 4.4Å; L93-F146 HydrophobicContact CB-CZ 4.25Å; L93-F146 HydrophobicContact CD2-CD2 4.34Å; L93-F146 HydrophobicContact CD2-CE1 4.43Å; L93-F146 HydrophobicContact CD2-CE2 4.09Å; L93-F146 HydrophobicContact CD2-CZ 4.15Å; L93-F146 VanDerWaalsContact O-CZ 3.28Å; L93-F146 WeakPolarHBondContact O-CZ 3.4Å; N96-F146 WeakPolarHBondContact O-CE1 3.46Å; K133-F146 WeakPolarHBondContact CA-O 3.42Å; K133-F146 WeakPolarHBondContact CB-O 3.42Å; V134-F146 PolarHBondContact N-O 2.85Å; V134-F146 PolarHBondContact O-N 2.98Å; I136-F146 HydrophobicContact CD1-CD2 3.99Å; I136-F146 HydrophobicContact CD1-CE2 3.7Å; I136-F146 HydrophobicContact CG1-CD2 4.43Å; I136-F146 HydrophobicContact CG1-CE2 4.33Å; F146-W150 AromaticContact CD1-CE3 3.81Å; F146-W150 HydrophobicContact CD1-CE3 3.81Å; F146-W150 HydrophobicContact CD1-CH2 4.1Å; F146-W150 AromaticContact CD1-CZ3 3.51Å; F146-W150 HydrophobicContact CD1-CZ3 3.51Å; F146-W150 HydrophobicContact CE1-CH2 4.1Å; F146-W150 AromaticContact CE1-CZ3 3.9Å; F146-W150 HydrophobicContact CE1-CZ3 3.9Å; F146-W150 HydrophobicContact CG-CZ3 4.46Å; F146-L151 HydrophobicContact CB-CD1 3.94Å; F146-L151 HydrophobicContact CB-CD2 4.25Å; F146-L151 HydrophobicContact CB-CG 3.95Å; F146-L151 HydrophobicContact CG-CD2 4.44Å
147	D	95.6	Very high	96.5	Very high	49 Å²	49	46.7 Å²	46.7	26%	0.262	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	138.2	170.6	-63.9	-73.4	0	0	0	111.9	K133 E149 W150 L151	K133-D147 WeakPolarHBondContact CD-OD1 3.33Å; K133-D147 VanDerWaalsContact CE-OD1 3.26Å; K133-D147 WeakPolarHBondContact CE-OD1 3.31Å; K133-D147 IonicContact NZ-OD1 3.43Å; K133-D147 PolarHBondContact NZ-OD1 3.41Å; K133-D147 IonicContact NZ-OD2 2.68Å; D147-E149 VanDerWaalsContact C-N 3.3Å; D147-E149 PolarHBondContact O-N 3.06Å; D147-W150 HydrophobicContact CB-CB 4.09Å; D147-W150 WeakPolarHBondContact O-CB 3.29Å; D147-W150 PolarHBondContact O-N 3.27Å; D147-L151 PolarHBondContact O-N 3.22Å; D147-L151 VanDerWaalsContact O-N 3.09Å
148	A	94.1	Very high	96.4	Very high	14 Å²	14	50.8 Å²	50.8	12%	0.116	26%	0.259	C	S	.	.	H	α-helix	trans	-56.5	-41.5	-179.1	0	0	0	0	0	112.8	H62 M64 W80 L151 K152	H62-A148 WeakPolarHBondContact O-CB 3.49Å; M64-A148 HydrophobicContact CE-CB 3.68Å; M64-A148 HydrophobicContact CG-CB 4.03Å; M64-A148 HydrophobicContact SD-CB 3.86Å; W80-A148 VanDerWaalsContact CH2-O 3.32Å; W80-A148 WeakPolarHBondContact CH2-O 3.41Å; W80-A148 HydrophobicContact CZ3-CB 4.2Å; A148-L151 PolarHBondContact O-N 3.4Å; A148-K152 WeakPolarHBondContact O-CB 3.1Å; A148-K152 PolarHBondContact O-N 2.66Å
149	E	92.3	Very high	96.2	Very high	39 Å²	39	54.3 Å²	54.3	18%	0.182	29%	0.289	C	S	.	.	H	α-helix	trans	-67.3	-37.9	176.6	-164.4	-163.5	144.4	0	0	112.3	D147 L151 K152 K153	D147-E149 VanDerWaalsContact C-N 3.3Å; D147-E149 PolarHBondContact O-N 3.06Å; E149-L151 VanDerWaalsContact C-N 3.29Å; E149-L151 PolarHBondContact O-N 3.19Å; E149-K152 PolarHBondContact O-N 3.49Å; E149-K153 HydrophobicContact CG-CD 4.28Å; E149-K153 WeakPolarHBondContact O-CB 3.42Å; E149-K153 PolarHBondContact O-N 2.92Å; E149-K153 WeakPolarHBondContact OE1-CE 3.44Å; E149-K153 IonicContact OE1-NZ 2.68Å; E149-K153 PolarHBondContact OE1-NZ 3.25Å
150	W	95.2	Very high	96.1	Very high	17 Å²	17	52.5 Å²	52.5	6%	0.064	28%	0.279	C	S	.	.	H	α-helix	trans	-62.4	-40.2	177.8	-178.4	102.3	0	0	0	111.2	W92 N96 Q98 F146 D147 R154 W448	W92-W150 HydrophobicContact CH2-CE3 4.41Å; W92-W150 AromaticContact CH2-CH2 3.32Å; W92-W150 HydrophobicContact CH2-CH2 3.32Å; W92-W150 HydrophobicContact CH2-CZ2 4.35Å; W92-W150 AromaticContact CH2-CZ3 3.38Å; W92-W150 HydrophobicContact CH2-CZ3 3.38Å; W92-W150 AromaticContact CZ2-CH2 3.82Å; W92-W150 HydrophobicContact CZ2-CH2 3.82Å; W92-W150 HydrophobicContact CZ2-CZ3 4.31Å; W92-W150 AromaticContact CZ3-CH2 3.94Å; W92-W150 HydrophobicContact CZ3-CH2 3.94Å; W92-W150 AromaticContact CZ3-CZ3 3.76Å; W92-W150 HydrophobicContact CZ3-CZ3 3.76Å; N96-W150 HydrophobicContact CB-CH2 3.7Å; N96-W150 HydrophobicContact CB-CZ2 4.04Å; Q98-W150 VanDerWaalsContact NE2-CD1 3.29Å; Q98-W150 VanDerWaalsContact NE2-CG 3.31Å; Q98-W150 VanDerWaalsContact NE2-NE1 3.17Å; F146-W150 AromaticContact CD1-CE3 3.81Å; F146-W150 HydrophobicContact CD1-CE3 3.81Å; F146-W150 HydrophobicContact CD1-CH2 4.1Å; F146-W150 AromaticContact CD1-CZ3 3.51Å; F146-W150 HydrophobicContact CD1-CZ3 3.51Å; F146-W150 HydrophobicContact CE1-CH2 4.1Å; F146-W150 AromaticContact CE1-CZ3 3.9Å; F146-W150 HydrophobicContact CE1-CZ3 3.9Å; F146-W150 HydrophobicContact CG-CZ3 4.46Å; D147-W150 HydrophobicContact CB-CB 4.09Å; D147-W150 WeakPolarHBondContact O-CB 3.29Å; D147-W150 PolarHBondContact O-N 3.27Å; W150-R154 VanDerWaalsContact CE2-CD 3.46Å; W150-R154 VanDerWaalsContact CZ2-CD 3.46Å; W150-R154 WeakPolarHBondContact O-CD 3.25Å; W150-R154 WeakPolarHBondContact O-CG 3.42Å; W150-R154 PolarHBondContact O-N 3.05Å; W150-R154 PolarHBondContact O-NH1 3.43Å; W150-R154 VanDerWaalsContact O-NH1 3.15Å; W150-W448 HydrophobicContact CB-CH2 4.22Å; W150-W448 HydrophobicContact CB-CZ3 4.21Å; W150-W448 AromaticContact CD1-CH2 3.8Å; W150-W448 HydrophobicContact CG-CH2 4.43Å
151	L	96.6	Very high	96.1	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66	-53.5	172.3	-72.8	171.3	0	0	0	111.4	M64 M76 W80 Y88 W92 L93 V134 F146 D147 A148 E149 K153 R154 C155	M64-L151 HydrophobicContact SD-CD1 4.36Å; M76-L151 HydrophobicContact CE-CD1 4.05Å; M76-L151 HydrophobicContact CE-CD2 4.17Å; W80-L151 HydrophobicContact CH2-CB 4.14Å; Y88-L151 HydrophobicContact CD1-CD2 4.08Å; Y88-L151 HydrophobicContact CD2-CD2 4.48Å; Y88-L151 HydrophobicContact CE1-CB 4.29Å; Y88-L151 HydrophobicContact CE1-CD2 4.06Å; Y88-L151 WeakPolarHBondContact CE1-O 3.39Å; Y88-L151 HydrophobicContact CE2-CB 4.43Å; Y88-L151 HydrophobicContact CE2-CD2 4.47Å; Y88-L151 HydrophobicContact CG-CD2 4.3Å; Y88-L151 PolarHBondContact OH-O 2.92Å; W92-L151 HydrophobicContact CZ3-CD2 4.43Å; L93-L151 HydrophobicContact CD2-CD2 3.77Å; V134-L151 HydrophobicContact CB-CD1 4.13Å; V134-L151 HydrophobicContact CG2-CD1 3.51Å; F146-L151 HydrophobicContact CB-CD1 3.94Å; F146-L151 HydrophobicContact CB-CD2 4.25Å; F146-L151 HydrophobicContact CB-CG 3.95Å; F146-L151 HydrophobicContact CG-CD2 4.44Å; D147-L151 PolarHBondContact O-N 3.22Å; D147-L151 VanDerWaalsContact O-N 3.09Å; A148-L151 PolarHBondContact O-N 3.4Å; E149-L151 VanDerWaalsContact C-N 3.29Å; E149-L151 PolarHBondContact O-N 3.19Å; L151-K153 VanDerWaalsContact C-N 3.3Å; L151-K153 PolarHBondContact O-N 2.95Å; L151-R154 CarbonylContact O-C 3.58Å; L151-R154 VanDerWaalsContact O-C 3.31Å; L151-R154 WeakPolarHBondContact O-CA 3.48Å; L151-R154 PolarHBondContact O-N 3.39Å; L151-C155 PolarHBondContact O-N 3.39Å; L151-C155 VanDerWaalsContact O-N 3.14Å
152	K	94	Very high	96	Very high	41 Å²	41	54.6 Å²	54.6	18%	0.178	28%	0.28	C	S	.	.	H	α-helix	trans	-55.5	-44.9	-177.5	-169.1	82.9	170.3	-166.1	0	111.5	H62 W80 D82 A148 E149 R154 C155	H62-K152 HydrophobicContact CB-CB 4.39Å; H62-K152 HydrophobicContact CB-CG 4.36Å; W80-K152 HydrophobicContact CD2-CD 3.6Å; W80-K152 HydrophobicContact CE3-CD 3.92Å; W80-K152 HydrophobicContact CG-CD 4.17Å; W80-K152 HydrophobicContact CH2-CB 3.69Å; W80-K152 HydrophobicContact CH2-CD 3.93Å; W80-K152 HydrophobicContact CH2-CG 4.42Å; W80-K152 HydrophobicContact CZ2-CB 3.98Å; W80-K152 HydrophobicContact CZ2-CD 3.59Å; W80-K152 HydrophobicContact CZ2-CG 4.39Å; W80-K152 HydrophobicContact CZ3-CB 4.11Å; W80-K152 HydrophobicContact CZ3-CD 4.05Å; D82-K152 IonicContact OD1-NZ 3.86Å; D82-K152 PolarHBondContact OD1-NZ 3.22Å; D82-K152 IonicContact OD2-NZ 2.67Å; D82-K152 PolarHBondContact OD2-NZ 2.99Å; A148-K152 WeakPolarHBondContact O-CB 3.1Å; A148-K152 PolarHBondContact O-N 2.66Å; E149-K152 PolarHBondContact O-N 3.49Å; K152-R154 PolarHBondContact O-N 3.32Å; K152-C155 WeakPolarHBondContact O-CB 3.49Å; K152-C155 PolarHBondContact O-N 3.21Å
153	K	93.8	Very high	95.8	Very high	63 Å²	63	57 Å²	57	27%	0.274	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19	175.9	-80.8	179.6	165.5	168.6	0	114.3	E149 L151 M164	E149-K153 HydrophobicContact CG-CD 4.28Å; E149-K153 WeakPolarHBondContact O-CB 3.42Å; E149-K153 PolarHBondContact O-N 2.92Å; E149-K153 WeakPolarHBondContact OE1-CE 3.44Å; E149-K153 IonicContact OE1-NZ 2.68Å; E149-K153 PolarHBondContact OE1-NZ 3.25Å; L151-K153 VanDerWaalsContact C-N 3.3Å; L151-K153 PolarHBondContact O-N 2.95Å; K153-M164 HydrophobicContact CB-CE 3.86Å; K153-M164 HydrophobicContact CG-CE 4.4Å; K153-M164 WeakPolarHBondContact O-CE 3.42Å
154	R	96.9	Very high	95.6	Very high	99 Å²	99	53.7 Å²	53.7	37%	0.374	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	21	178.8	-69.6	167.9	-179.7	73.6	1.6	112.6	W92 W150 L151 K152 F156	W92-R154 HydrophobicContact CH2-CB 3.64Å; W92-R154 HydrophobicContact CH2-CG 4.34Å; W92-R154 HydrophobicContact CZ2-CB 3.89Å; W92-R154 HydrophobicContact CZ2-CG 4.31Å; W150-R154 VanDerWaalsContact CE2-CD 3.46Å; W150-R154 VanDerWaalsContact CZ2-CD 3.46Å; W150-R154 WeakPolarHBondContact O-CD 3.25Å; W150-R154 WeakPolarHBondContact O-CG 3.42Å; W150-R154 PolarHBondContact O-N 3.05Å; W150-R154 PolarHBondContact O-NH1 3.43Å; W150-R154 VanDerWaalsContact O-NH1 3.15Å; L151-R154 CarbonylContact O-C 3.58Å; L151-R154 VanDerWaalsContact O-C 3.31Å; L151-R154 WeakPolarHBondContact O-CA 3.48Å; L151-R154 PolarHBondContact O-N 3.39Å; K152-R154 PolarHBondContact O-N 3.32Å; R154-F156 PolarHBondContact O-N 2.86Å
155	C	97.2	Very high	95.4	Very high	10 Å²	10	57.9 Å²	57.9	7%	0.068	31%	0.305	C	S	.	.			trans	-58.8	136.4	173.2	178.5	0	0	0	0	110.7	S86 L151 K152 S157 A160	S86-C155 PolarHBondContact OG-SG 2.87Å; L151-C155 PolarHBondContact O-N 3.39Å; L151-C155 VanDerWaalsContact O-N 3.14Å; K152-C155 WeakPolarHBondContact O-CB 3.49Å; K152-C155 PolarHBondContact O-N 3.21Å; C155-S157 VanDerWaalsContact C-N 3.28Å; C155-S157 PolarHBondContact O-N 2.72Å; C155-S157 PolarHBondContact SG-OG 3.49Å; C155-A160 HydrophobicContact CB-CB 3.75Å
156	F	97.6	Very high	95.3	Very high	83 Å²	83	56.5 Å²	56.5	36%	0.364	30%	0.295	S	S	.	.			trans	-79.7	-3.8	-176.4	-75.3	-88.6	0	0	0	114.5	L87 Y88 W92 R154 R161	L87-F156 WeakPolarHBondContact O-CD2 3.45Å; Y88-F156 HydrophobicContact CD1-CD2 4.16Å; Y88-F156 HydrophobicContact CD1-CE2 4.11Å; W92-F156 HydrophobicContact CB-CZ 4.44Å; W92-F156 AromaticContact CD1-CZ 3.85Å; W92-F156 AromaticContact CD2-CE2 3.82Å; W92-F156 HydrophobicContact CD2-CE2 3.82Å; W92-F156 AromaticContact CD2-CZ 3.68Å; W92-F156 HydrophobicContact CD2-CZ 3.68Å; W92-F156 AromaticContact CE2-CZ 3.78Å; W92-F156 AromaticContact CE3-CE2 3.91Å; W92-F156 HydrophobicContact CE3-CE2 3.91Å; W92-F156 HydrophobicContact CE3-CZ 4.26Å; W92-F156 HydrophobicContact CG-CE2 4.24Å; W92-F156 AromaticContact CG-CZ 3.73Å; W92-F156 HydrophobicContact CG-CZ 3.73Å; W92-F156 HydrophobicContact CZ2-CE2 4.47Å; W92-F156 HydrophobicContact CZ2-CZ 4.42Å; W92-F156 HydrophobicContact CZ3-CE2 4.28Å; W92-F156 AromaticContact NE1-CZ 3.86Å; R154-F156 PolarHBondContact O-N 2.86Å; F156-R161 VanDerWaalsContact O-CD 3.31Å; F156-R161 WeakPolarHBondContact O-CD 3.34Å; F156-R161 PolarHBondContact O-NE 3.38Å
157	S	96.6	Very high	95.1	Very high	61 Å²	61	60.8 Å²	60.8	43%	0.427	32%	0.315	S	S	.	.	S	Bend	trans	-63.7	145.4	176.5	71.7	0	0	0	0	111.6	C155 A159 A160 R161	C155-S157 VanDerWaalsContact C-N 3.28Å; C155-S157 PolarHBondContact O-N 2.72Å; C155-S157 PolarHBondContact SG-OG 3.49Å; S157-A159 VanDerWaalsContact C-N 3.28Å; S157-A159 PolarHBondContact O-N 3.07Å; S157-A160 PolarHBondContact O-N 3.17Å; S157-A160 WeakPolarHBondContact OG-CB 3.43Å; S157-R161 WeakPolarHBondContact O-CG 3.5Å; S157-R161 PolarHBondContact O-N 2.72Å
158	D	95.9	Very high	95	Very high	113 Å²	113	61.2 Å²	61.2	60%	0.604	32%	0.317	S	S	*	.	H	α-helix	trans	-56.4	-41.8	-173.4	-61.9	-17	0	0	0	112.5	R161 Q162	D158-R161 PolarHBondContact O-N 2.62Å; D158-R161 IonicContact OD1-CZ 3.4Å; D158-R161 IonicContact OD1-NE 2.7Å; D158-R161 IonicContact OD1-NH2 3.47Å; D158-R161 PolarHBondContact OD1-NH2 2.99Å; D158-Q162 VanDerWaalsContact O-CB 3.25Å; D158-Q162 WeakPolarHBondContact O-CB 3.49Å; D158-Q162 PolarHBondContact O-N 2.78Å
159	A	94.5	Very high	95.1	Very high	75 Å²	75	64.5 Å²	64.5	62%	0.62	33%	0.328	S	S	*	.	H	α-helix	trans	-63.4	-41.8	176.9	0	0	0	0	0	112.9	S157 A163	S157-A159 VanDerWaalsContact C-N 3.28Å; S157-A159 PolarHBondContact O-N 3.07Å; A159-A163 WeakPolarHBondContact O-CB 3.4Å; A159-A163 PolarHBondContact O-N 2.91Å
160	A	94.9	Very high	95.2	Very high	25 Å²	25	63.1 Å²	63.1	21%	0.207	32%	0.322	C	S	.	.	H	α-helix	trans	-70.1	-41.5	178.1	0	0	0	0	0	111.5	C155 S157 A163 M164	C155-A160 HydrophobicContact CB-CB 3.75Å; S157-A160 PolarHBondContact O-N 3.17Å; S157-A160 WeakPolarHBondContact OG-CB 3.43Å; A160-A163 PolarHBondContact O-N 3Å; A160-M164 WeakPolarHBondContact O-CB 3.3Å; A160-M164 PolarHBondContact O-N 2.83Å
161	R	96.3	Very high	94.9	Very high	124 Å²	124	66.2 Å²	66.2	47%	0.468	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-45.4	174.3	-65.2	-170.4	-59.1	113.3	-2.1	111.2	F156 S157 D158 M164 Q165	F156-R161 VanDerWaalsContact O-CD 3.31Å; F156-R161 WeakPolarHBondContact O-CD 3.34Å; F156-R161 PolarHBondContact O-NE 3.38Å; S157-R161 WeakPolarHBondContact O-CG 3.5Å; S157-R161 PolarHBondContact O-N 2.72Å; D158-R161 PolarHBondContact O-N 2.62Å; D158-R161 IonicContact OD1-CZ 3.4Å; D158-R161 IonicContact OD1-NE 2.7Å; D158-R161 IonicContact OD1-NH2 3.47Å; D158-R161 PolarHBondContact OD1-NH2 2.99Å; R161-M164 PolarHBondContact O-N 3.33Å; R161-Q165 VanDerWaalsContact O-CG 3.27Å; R161-Q165 WeakPolarHBondContact O-CG 3.45Å; R161-Q165 PolarHBondContact O-N 3.21Å
162	Q	94.4	Very high	94.6	Very high	143 Å²	143	71.1 Å²	71.1	67%	0.668	36%	0.363	S	S	*	.	H	α-helix	trans	-62.2	-44.9	177.2	-174.7	178.3	2.1	0	0	111.9	D158 M164 Q165 E166	D158-Q162 VanDerWaalsContact O-CB 3.25Å; D158-Q162 WeakPolarHBondContact O-CB 3.49Å; D158-Q162 PolarHBondContact O-N 2.78Å; Q162-M164 PolarHBondContact O-N 3.21Å; Q162-Q165 PolarHBondContact O-N 2.87Å; Q162-E166 PolarHBondContact O-N 3.17Å
163	A	93.9	Very high	94.7	Very high	62 Å²	62	71.4 Å²	71.4	51%	0.512	36%	0.363	S	S	.	.	H	α-helix	trans	-61.2	-43.2	176.6	0	0	0	0	0	112.2	A159 A160 E166 E167	A159-A163 WeakPolarHBondContact O-CB 3.4Å; A159-A163 PolarHBondContact O-N 2.91Å; A160-A163 PolarHBondContact O-N 3Å; A163-E166 PolarHBondContact O-N 2.79Å; A163-E167 WeakPolarHBondContact O-CB 3.19Å; A163-E167 PolarHBondContact O-N 3.28Å
164	M	94.9	Very high	94.8	Very high	43 Å²	43	74.4 Å²	74.4	21%	0.212	37%	0.373	C	S	.	.	H	α-helix	trans	-63.7	-39.3	174.6	178.6	56.6	66.3	0	0	112.2	K153 A160 R161 Q162 E167 L168	K153-M164 HydrophobicContact CB-CE 3.86Å; K153-M164 HydrophobicContact CG-CE 4.4Å; K153-M164 WeakPolarHBondContact O-CE 3.42Å; A160-M164 WeakPolarHBondContact O-CB 3.3Å; A160-M164 PolarHBondContact O-N 2.83Å; R161-M164 PolarHBondContact O-N 3.33Å; Q162-M164 PolarHBondContact O-N 3.21Å; M164-E167 PolarHBondContact O-N 2.99Å; M164-L168 HydrophobicContact CG-CD1 3.91Å; M164-L168 HydrophobicContact CG-CG 4.42Å; M164-L168 WeakPolarHBondContact O-CB 3.36Å; M164-L168 VanDerWaalsContact O-CG 3.26Å; M164-L168 WeakPolarHBondContact O-CG 3.37Å; M164-L168 PolarHBondContact O-N 2.77Å; M164-L168 HydrophobicContact SD-CD1 3.75Å; M164-L168 HydrophobicContact SD-CD2 4.37Å; M164-L168 HydrophobicContact SD-CG 3.81Å
165	Q	94.8	Very high	94.9	Very high	89 Å²	89	74 Å²	74	42%	0.416	37%	0.372	S	S	.	.	H	α-helix	trans	-65.8	-41.6	175.7	-69.6	-64	-56.2	0	0	112.1	R161 Q162 L168 F169	R161-Q165 VanDerWaalsContact O-CG 3.27Å; R161-Q165 WeakPolarHBondContact O-CG 3.45Å; R161-Q165 PolarHBondContact O-N 3.21Å; Q162-Q165 PolarHBondContact O-N 2.87Å; Q165-L168 PolarHBondContact O-N 3.49Å; Q165-F169 WeakPolarHBondContact O-CB 3.32Å; Q165-F169 WeakPolarHBondContact O-CD2 3.43Å; Q165-F169 PolarHBondContact O-N 3.34Å; Q165-F169 VanDerWaalsContact OE1-CD2 3.29Å
166	E	94.5	Very high	94.9	Very high	37 Å²	37	74.2 Å²	74.2	17%	0.173	37%	0.372	C	S	.	.	H	α-helix	trans	-65.2	-40.5	174	-178.7	55.6	-152.3	0	0	111.5	Q162 A163 L168 L170 N171 E172 R206	Q162-E166 PolarHBondContact O-N 3.17Å; A163-E166 PolarHBondContact O-N 2.79Å; E166-L168 PolarHBondContact O-N 2.96Å; E166-L170 VanDerWaalsContact O-CA 3.27Å; E166-L170 WeakPolarHBondContact O-CA 3.31Å; E166-L170 PolarHBondContact O-N 2.92Å; E166-L170 WeakPolarHBondContact OE1-CA 3.34Å; E166-L170 WeakPolarHBondContact OE1-CD2 3.33Å; E166-N171 WeakPolarHBondContact OE2-CA 3.41Å; E166-N171 PolarHBondContact OE2-N 2.99Å; E166-E172 PolarHBondContact OE2-N 2.9Å; E166-R206 IonicContact OE1-CZ 3.78Å; E166-R206 IonicContact OE1-NH2 2.93Å; E166-R206 PolarHBondContact OE1-NH2 3.25Å
167	E	92.9	Very high	95	Very high	90 Å²	90	72.9 Å²	72.9	42%	0.421	37%	0.368	S	S	.	.	H	α-helix	trans	-59.5	-45.9	173.6	-173.5	-178.5	158.2	0	0	111.4	A163 M164 R440	A163-E167 WeakPolarHBondContact O-CB 3.19Å; A163-E167 PolarHBondContact O-N 3.28Å; M164-E167 PolarHBondContact O-N 2.99Å; E167-R440 VanDerWaalsContact CG-NH2 3.27Å; E167-R440 PolarHBondContact O-NH1 2.95Å; E167-R440 PolarHBondContact O-NH2 2.62Å; E167-R440 IonicContact OE1-NH2 3.54Å
168	L	94.6	Very high	95	Very high	58 Å²	58	71.8 Å²	71.8	30%	0.304	36%	0.363	S	S	.	.	H	α-helix	trans	-76.1	-38.8	-174.7	-71.1	173.3	0	0	0	114.1	M164 Q165 E166	M164-L168 HydrophobicContact CG-CD1 3.91Å; M164-L168 HydrophobicContact CG-CG 4.42Å; M164-L168 WeakPolarHBondContact O-CB 3.36Å; M164-L168 VanDerWaalsContact O-CG 3.26Å; M164-L168 WeakPolarHBondContact O-CG 3.37Å; M164-L168 PolarHBondContact O-N 2.77Å; M164-L168 HydrophobicContact SD-CD1 3.75Å; M164-L168 HydrophobicContact SD-CD2 4.37Å; M164-L168 HydrophobicContact SD-CG 3.81Å; Q165-L168 PolarHBondContact O-N 3.49Å; E166-L168 PolarHBondContact O-N 2.96Å
169	F	95	Very high	95.1	Very high	82 Å²	82	71.3 Å²	71.3	36%	0.36	37%	0.365	S	S	.	.	H	α-helix	trans	-119.3	-14.2	-166.6	-59.9	-73.2	0	0	0	114.7	Q165 N171 R205 M433	Q165-F169 WeakPolarHBondContact O-CB 3.32Å; Q165-F169 WeakPolarHBondContact O-CD2 3.43Å; Q165-F169 PolarHBondContact O-N 3.34Å; Q165-F169 VanDerWaalsContact OE1-CD2 3.29Å; F169-N171 WeakPolarHBondContact CB-OD1 3.47Å; F169-R205 PolarHBondContact O-NE 2.91Å; F169-R205 VanDerWaalsContact O-NE 3.15Å; F169-R205 PolarHBondContact O-NH2 3.42Å; F169-M433 VanDerWaalsContact O-CE 3.3Å; F169-M433 WeakPolarHBondContact O-CE 3.03Å
170	L	94.8	Very high	95.3	Very high	11 Å²	11	69.3 Å²	69.3	6%	0.058	34%	0.343	C	S	.	.			trans	46.7	69.5	-174.1	-65.8	166.4	0	0	0	110.3	E166 R173 L202 R205 M433 L436	E166-L170 VanDerWaalsContact O-CA 3.27Å; E166-L170 WeakPolarHBondContact O-CA 3.31Å; E166-L170 PolarHBondContact O-N 2.92Å; E166-L170 WeakPolarHBondContact OE1-CA 3.34Å; E166-L170 WeakPolarHBondContact OE1-CD2 3.33Å; L170-R173 VanDerWaalsContact O-CZ 3.25Å; L170-R173 PolarHBondContact O-NH1 3.41Å; L170-R173 PolarHBondContact O-NH2 2.83Å; L170-L202 HydrophobicContact CD1-CD2 3.58Å; L170-L202 HydrophobicContact CD2-CD2 4.42Å; L170-R205 HydrophobicContact CB-CG 3.9Å; L170-R205 HydrophobicContact CD1-CG 4.38Å; L170-R205 PolarHBondContact O-NE 3.19Å; L170-M433 HydrophobicContact CB-CE 4.42Å; L170-M433 HydrophobicContact CD1-CE 4.37Å; L170-L436 HydrophobicContact CD1-CD1 3.71Å; L170-L436 HydrophobicContact CD1-CD2 3.55Å; L170-L436 HydrophobicContact CD1-CG 4.33Å
171	N	88.1	Confident	95.4	Very high	82 Å²	82	76.4 Å²	76.4	44%	0.439	37%	0.372	S	S	.	.			trans	-77.5	-24.8	-173.1	-73.2	-26	0	0	0	112.5	E166 F169 R173	E166-N171 WeakPolarHBondContact OE2-CA 3.41Å; E166-N171 PolarHBondContact OE2-N 2.99Å; F169-N171 WeakPolarHBondContact CB-OD1 3.47Å; N171-R173 PolarHBondContact O-N 2.82Å; N171-R173 PolarHBondContact O-NH2 3.2Å; N171-R173 VanDerWaalsContact O-NH2 3.16Å
172	E	91.8	Very high	95.5	Very high	103 Å²	103	71.4 Å²	71.4	48%	0.481	35%	0.354	S	S	.	.			trans	-58	130.2	173.3	-70	-177.2	165	0	0	112.8	E166 R206	E166-E172 PolarHBondContact OE2-N 2.9Å; E172-R206 IonicContact OE2-CZ 3.74Å; E172-R206 IonicContact OE2-NH1 2.81Å; E172-R206 PolarHBondContact OE2-NH1 2.79Å; E172-R206 IonicContact OE2-NH2 3.44Å; E172-R206 PolarHBondContact OE2-NH2 2.62Å
173	R	94.7	Very high	95.7	Very high	46 Å²	46	66.3 Å²	66.3	17%	0.174	33%	0.333	C	S	.	.			trans	-119.1	143.5	172.6	-58.1	-70.1	161.5	-94	-36.4	109.6	L170 N171 Y175 R205	L170-R173 VanDerWaalsContact O-CZ 3.25Å; L170-R173 PolarHBondContact O-NH1 3.41Å; L170-R173 PolarHBondContact O-NH2 2.83Å; N171-R173 PolarHBondContact O-N 2.82Å; N171-R173 PolarHBondContact O-NH2 3.2Å; N171-R173 VanDerWaalsContact O-NH2 3.16Å; R173-Y175 HydrophobicContact CB-CD1 4.37Å; R173-Y175 HydrophobicContact CB-CE1 4.19Å; R173-R205 PolarHBondContact NH1-O 3.17Å; R173-R205 VanDerWaalsContact NH2-NH2 3.11Å
174	Y	97.1	Very high	95.9	Very high	126 Å²	126	69.8 Å²	69.8	49%	0.494	34%	0.339	S	S	.	.			trans	-97.3	103.8	164.9	-55.3	-45.1	0	0	0	107.8	R206 V207 R404	Y174-R206 HydrophobicContact CD2-CB 3.76Å; Y174-R206 HydrophobicContact CE2-CB 3.76Å; Y174-R206 HydrophobicContact CE2-CG 4.37Å; Y174-R206 PolarHBondContact N-O 3.22Å; Y174-R206 PolarHBondContact OH-NH1 3.08Å; Y174-V207 HydrophobicContact CD2-CG2 4.15Å; Y174-R404 PolarHBondContact O-NH2 3.49Å
175	Y	98.1	Very high	96.1	Very high	90 Å²	90	69 Å²	69	35%	0.353	34%	0.34	S	S	.	.			trans	-70.1	151.4	172.2	-63	-37.7	0	0	0	111.5	R173 D293 F295 H296 E299	R173-Y175 HydrophobicContact CB-CD1 4.37Å; R173-Y175 HydrophobicContact CB-CE1 4.19Å; Y175-D293 VanDerWaalsContact CA-OD2 3.29Å; Y175-D293 WeakPolarHBondContact CA-OD2 3.41Å; Y175-D293 WeakPolarHBondContact CD1-OD2 3.15Å; Y175-F295 HydrophobicContact CD1-CB 4.41Å; Y175-F295 HydrophobicContact CE1-CB 3.68Å; Y175-H296 HydrophobicContact CD1-CB 4.19Å; Y175-H296 AromaticContact CD2-ND1 3.98Å; Y175-H296 HydrophobicContact CG-CB 4.06Å; Y175-H296 AromaticContact CG-ND1 3.97Å; Y175-E299 HydrophobicContact CE2-CG 4.43Å; Y175-E299 WeakPolarHBondContact CE2-OE1 3.26Å; Y175-E299 WeakPolarHBondContact CE2-OE2 3.37Å; Y175-E299 VanDerWaalsContact CZ-OE1 3.31Å; Y175-E299 PolarHBondContact OH-OE1 3Å
176	W	98.6	Very high	96.3	Very high	16 Å²	16	67.3 Å²	67.3	6%	0.061	33%	0.334	C	S	.	.			trans	-151.4	165.1	-176.2	51.9	-99.9	0	0	0	112.7	L180 V207 I209 A291 V292 D293 H296 V388 L405	W176-L180 HydrophobicContact CB-CB 4.08Å; W176-L180 HydrophobicContact CB-CD1 4.12Å; W176-L180 HydrophobicContact CB-CG 4.5Å; W176-L180 HydrophobicContact CD2-CB 4.12Å; W176-L180 HydrophobicContact CD2-CD2 3.61Å; W176-L180 HydrophobicContact CD2-CG 4.27Å; W176-L180 HydrophobicContact CE3-CB 4.04Å; W176-L180 HydrophobicContact CE3-CD2 3.95Å; W176-L180 HydrophobicContact CG-CB 4.15Å; W176-L180 HydrophobicContact CG-CD1 4.02Å; W176-L180 HydrophobicContact CG-CD2 3.94Å; W176-L180 HydrophobicContact CG-CG 4.23Å; W176-L180 HydrophobicContact CH2-CD2 4.39Å; W176-L180 HydrophobicContact CZ2-CD2 4.09Å; W176-L180 HydrophobicContact CZ3-CD2 4.33Å; W176-V207 PolarHBondContact NE1-O 3.09Å; W176-I209 HydrophobicContact CZ2-CG2 4.23Å; W176-A291 HydrophobicContact CH2-CB 4.33Å; W176-V292 VanDerWaalsContact CH2-C 3.41Å; W176-D293 HydrophobicContact CD2-CB 3.83Å; W176-D293 HydrophobicContact CE3-CB 4.06Å; W176-D293 HydrophobicContact CG-CB 4.43Å; W176-D293 HydrophobicContact CH2-CB 4.09Å; W176-D293 VanDerWaalsContact CH2-N 3.29Å; W176-D293 HydrophobicContact CZ2-CB 3.83Å; W176-D293 HydrophobicContact CZ3-CB 4.19Å; W176-D293 PolarHBondContact N-OD2 2.97Å; W176-H296 PolarHBondContact O-CD2 3.4Å; W176-V388 HydrophobicContact CE3-CG2 3.78Å; W176-V388 HydrophobicContact CH2-CG2 4.45Å; W176-V388 HydrophobicContact CZ3-CB 4.33Å; W176-V388 HydrophobicContact CZ3-CG2 3.5Å; W176-V388 VanDerWaalsContact CZ3-CG2 3.5Å; W176-L405 HydrophobicContact CH2-CD2 4.08Å; W176-L405 HydrophobicContact CH2-CG 4.16Å; W176-L405 HydrophobicContact CZ2-CD1 3.98Å; W176-L405 HydrophobicContact CZ2-CD2 3.75Å; W176-L405 HydrophobicContact CZ2-CG 3.74Å
177	D	97.9	Very high	96.5	Very high	54 Å²	54	65.6 Å²	65.6	29%	0.289	33%	0.325	S	S	.	.			trans	-127.3	-162.7	179.6	66.2	18.5	0	0	0	109.3	T179 L180 E385 V388	D177-T179 PolarHBondContact O-N 3.33Å; D177-T179 VanDerWaalsContact OD1-CB 3.24Å; D177-T179 WeakPolarHBondContact OD1-CB 3.43Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.18Å; D177-T179 PolarHBondContact OD1-N 3.36Å; D177-T179 PolarHBondContact OD1-OG1 2.93Å; D177-L180 PolarHBondContact O-N 3.23Å; D177-L180 VanDerWaalsContact O-N 3.09Å; D177-E385 WeakPolarHBondContact CB-O 3.43Å; D177-V388 WeakPolarHBondContact O-CG2 3.44Å
178	A	97.8	Very high	96.7	Very high	39 Å²	39	64.5 Å²	64.5	32%	0.322	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-10.8	179.6	0	0	0	0	0	114.8	L180 P384 E385 V387	A178-L180 VanDerWaalsContact C-N 3.27Å; A178-L180 PolarHBondContact O-N 3.48Å; A178-P384 WeakPolarHBondContact CB-O 3.34Å; A178-E385 WeakPolarHBondContact CB-O 3.26Å; A178-E385 PolarHBondContact N-O 3.39Å; A178-V387 WeakPolarHBondContact CB-O 3.43Å
179	T	97.7	Very high	96.9	Very high	102 Å²	102	67.4 Å²	67.4	63%	0.626	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-5.3	174.8	69.6	0	0	0	0	113.9	D177 H181	D177-T179 PolarHBondContact O-N 3.33Å; D177-T179 VanDerWaalsContact OD1-CB 3.24Å; D177-T179 WeakPolarHBondContact OD1-CB 3.43Å; D177-T179 WeakPolarHBondContact OD1-CG2 3.18Å; D177-T179 PolarHBondContact OD1-N 3.36Å; D177-T179 PolarHBondContact OD1-OG1 2.93Å; T179-H181 PolarHBondContact O-N 2.97Å; T179-H181 VanDerWaalsContact O-N 3.15Å; T179-H181 PolarHBondContact O-ND1 3.07Å
180	L	98.4	Very high	97.1	Very high	34 Å²	34	63.5 Å²	63.5	18%	0.178	32%	0.315	C	S	.	.			trans	-57	120.1	178	-178.8	68.7	0	0	0	111.7	W176 D177 A178 I182 V207 I209 V388	W176-L180 HydrophobicContact CB-CB 4.08Å; W176-L180 HydrophobicContact CB-CD1 4.12Å; W176-L180 HydrophobicContact CB-CG 4.5Å; W176-L180 HydrophobicContact CD2-CB 4.12Å; W176-L180 HydrophobicContact CD2-CD2 3.61Å; W176-L180 HydrophobicContact CD2-CG 4.27Å; W176-L180 HydrophobicContact CE3-CB 4.04Å; W176-L180 HydrophobicContact CE3-CD2 3.95Å; W176-L180 HydrophobicContact CG-CB 4.15Å; W176-L180 HydrophobicContact CG-CD1 4.02Å; W176-L180 HydrophobicContact CG-CD2 3.94Å; W176-L180 HydrophobicContact CG-CG 4.23Å; W176-L180 HydrophobicContact CH2-CD2 4.39Å; W176-L180 HydrophobicContact CZ2-CD2 4.09Å; W176-L180 HydrophobicContact CZ3-CD2 4.33Å; D177-L180 PolarHBondContact O-N 3.23Å; D177-L180 VanDerWaalsContact O-N 3.09Å; A178-L180 VanDerWaalsContact C-N 3.27Å; A178-L180 PolarHBondContact O-N 3.48Å; L180-I182 HydrophobicContact CD2-CG1 4Å; L180-I182 HydrophobicContact CG-CG1 4.4Å; L180-I182 PolarHBondContact O-N 2.8Å; L180-V207 HydrophobicContact CD1-CG1 3.83Å; L180-V207 HydrophobicContact CD2-CG1 4.19Å; L180-I209 HydrophobicContact CD2-CG2 3.78Å; L180-V388 HydrophobicContact CB-CG2 3.79Å; L180-V388 HydrophobicContact CD2-CG2 4.5Å
181	H	97.6	Very high	97.3	Very high	173 Å²	173	64 Å²	64	80%	0.801	32%	0.318	S	S	*	.			trans	-87.1	101.7	161.2	-66	64.5	0	0	0	107.4	T179 P183	T179-H181 PolarHBondContact O-N 2.97Å; T179-H181 VanDerWaalsContact O-N 3.15Å; T179-H181 PolarHBondContact O-ND1 3.07Å; H181-P183 WeakPolarHBondContact O-CD 3.16Å
182	I	98.4	Very high	97.8	Very high	20 Å²	20	66.3 Å²	66.3	10%	0.103	33%	0.326	C	S	.	.			trans	-54.5	123.8	-175.6	-60.9	173.1	0	0	0	109.3	L180 Q184 I209 H211 V388 Y390	L180-I182 HydrophobicContact CD2-CG1 4Å; L180-I182 HydrophobicContact CG-CG1 4.4Å; L180-I182 PolarHBondContact O-N 2.8Å; I182-Q184 WeakPolarHBondContact O-CG 3.4Å; I182-Q184 PolarHBondContact O-N 3.22Å; I182-I209 HydrophobicContact CD1-CD1 4.11Å; I182-I209 HydrophobicContact CG2-CD1 4.45Å; I182-I209 HydrophobicContact CG2-CG1 3.99Å; I182-I209 HydrophobicContact CG2-CG2 4.3Å; I182-H211 HydrophobicContact CG2-CB 3.89Å; I182-V388 HydrophobicContact CD1-CG1 3.95Å; I182-V388 HydrophobicContact CG1-CG1 4.13Å; I182-Y390 HydrophobicContact CD1-CD1 3.51Å; I182-Y390 HydrophobicContact CD1-CD2 4.35Å; I182-Y390 HydrophobicContact CD1-CE1 3.86Å; I182-Y390 HydrophobicContact CD1-CG 3.78Å
183	P	98.5	Very high	98.1	Very high	35 Å²	35	65.4 Å²	65.4	23%	0.227	32%	0.324	C	S	.	.			trans	-52.7	139.1	177.3	-27.2	33.9	0	0	0	111.8	H181 A203 V207 I209 V210 H211	H181-P183 WeakPolarHBondContact O-CD 3.16Å; P183-A203 HydrophobicContact CB-CB 4.19Å; P183-A203 HydrophobicContact CG-CB 4.43Å; P183-V207 HydrophobicContact CG-CB 4.27Å; P183-V207 HydrophobicContact CG-CG1 4.09Å; P183-V207 HydrophobicContact CG-CG2 4.05Å; P183-I209 WeakPolarHBondContact CD-O 3.28Å; P183-V210 HydrophobicContact CB-CG1 4.34Å; P183-V210 HydrophobicContact CB-CG2 4.43Å; P183-V210 WeakPolarHBondContact O-CG1 3.48Å; P183-H211 PolarHBondContact O-N 3.32Å
184	Q	98.4	Very high	98.2	Very high	135 Å²	135	65.2 Å²	65.2	63%	0.631	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	147.3	-179.8	-55.5	-171.6	7.9	0	0	110.7	I182 H211	I182-Q184 WeakPolarHBondContact O-CG 3.4Å; I182-Q184 PolarHBondContact O-N 3.22Å; Q184-H211 VanDerWaalsContact CA-O 3.31Å; Q184-H211 WeakPolarHBondContact CA-O 3.4Å; Q184-H211 HydrophobicContact CG-CB 4.39Å
185	A	98.4	Very high	98.3	Very high	27 Å²	27	60.5 Å²	60.5	22%	0.223	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	161.2	169.6	0	0	0	0	0	110.1	V190 H211 L212 K213	A185-V190 HydrophobicContact CB-CG2 4Å; A185-H211 PolarHBondContact N-O 3.11Å; A185-L212 HydrophobicContact CB-CD2 3.78Å; A185-L212 CarbonylContact O-C 3.52Å; A185-L212 VanDerWaalsContact O-CA 3.3Å; A185-L212 WeakPolarHBondContact O-CA 3.41Å; A185-K213 PolarHBondContact O-N 3.43Å
186	D	98.8	Very high	98.3	Very high	54 Å²	54	57 Å²	57	29%	0.289	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	137	173.4	-177.9	-87.8	0	0	0	111	Q188 E189 V190	D186-Q188 WeakPolarHBondContact OD1-CA 3.5Å; D186-Q188 WeakPolarHBondContact OD1-CB 3.32Å; D186-Q188 PolarHBondContact OD1-N 3.1Å; D186-E189 HydrophobicContact CB-CB 4.03Å; D186-E189 HydrophobicContact CB-CG 3.88Å; D186-E189 PolarHBondContact OD1-N 2.92Å; D186-V190 WeakPolarHBondContact O-CB 3.34Å; D186-V190 WeakPolarHBondContact O-CG2 3.37Å; D186-V190 PolarHBondContact O-N 3.26Å
187	F	98.8	Very high	98.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66.8	-39	-178.3	173.4	-100.9	0	0	0	112.5	L191 L212 K213 A215 Q221 L225 I397	F187-L191 HydrophobicContact CD1-CD1 4.05Å; F187-L191 HydrophobicContact CE1-CD1 3.54Å; F187-L191 HydrophobicContact CE2-CD1 4.24Å; F187-L191 HydrophobicContact CZ-CD1 3.66Å; F187-L191 HydrophobicContact CZ-CG 4.42Å; F187-L191 VanDerWaalsContact O-CG 3.29Å; F187-L191 WeakPolarHBondContact O-CG 3.46Å; F187-L191 PolarHBondContact O-N 3.48Å; F187-L191 VanDerWaalsContact O-N 3.16Å; F187-L212 HydrophobicContact CD2-CD1 4.49Å; F187-K213 WeakPolarHBondContact CB-O 3.37Å; F187-K213 PolarHBondContact N-O 2.83Å; F187-A215 HydrophobicContact CB-CB 4.31Å; F187-A215 HydrophobicContact CD1-CB 3.81Å; F187-A215 HydrophobicContact CD2-CB 4.01Å; F187-A215 HydrophobicContact CE1-CB 4.02Å; F187-A215 HydrophobicContact CE2-CB 4.2Å; F187-A215 HydrophobicContact CG-CB 3.79Å; F187-A215 HydrophobicContact CZ-CB 4.21Å; F187-Q221 HydrophobicContact CE2-CB 4.37Å; F187-Q221 HydrophobicContact CZ-CB 3.92Å; F187-L225 HydrophobicContact CE2-CB 4.18Å; F187-L225 HydrophobicContact CE2-CD1 4.43Å; F187-I397 HydrophobicContact CD2-CD1 3.71Å; F187-I397 HydrophobicContact CE2-CD1 3.49Å; F187-I397 VanDerWaalsContact CE2-CD1 3.49Å; F187-I397 HydrophobicContact CZ-CD1 4.4Å
188	Q	98.5	Very high	98.3	Very high	67 Å²	67	54 Å²	54	31%	0.313	29%	0.291	S	S	.	.	H	α-helix	trans	-73.2	-38.2	177.9	-56	-61.1	-27.8	0	0	111	D186 L191 H192	D186-Q188 WeakPolarHBondContact OD1-CA 3.5Å; D186-Q188 WeakPolarHBondContact OD1-CB 3.32Å; D186-Q188 PolarHBondContact OD1-N 3.1Å; Q188-L191 PolarHBondContact O-N 2.91Å; Q188-H192 PolarHBondContact O-N 2.96Å; Q188-H192 PolarHBondContact O-ND1 3.44Å; Q188-H192 PolarHBondContact OE1-CE1 2.68Å
189	E	98.6	Very high	98.4	Very high	120 Å²	120	55 Å²	55	56%	0.561	30%	0.3	S	S	*	.	H	α-helix	trans	-60.5	-49.1	173.1	-67.2	-178.2	174.8	0	0	111	D186 L191 H192 D193 A196	D186-E189 HydrophobicContact CB-CB 4.03Å; D186-E189 HydrophobicContact CB-CG 3.88Å; D186-E189 PolarHBondContact OD1-N 2.92Å; E189-L191 VanDerWaalsContact C-N 3.27Å; E189-L191 PolarHBondContact O-N 3.44Å; E189-H192 PolarHBondContact O-N 2.83Å; E189-H192 VanDerWaalsContact O-N 3.15Å; E189-D193 WeakPolarHBondContact O-CB 3.2Å; E189-D193 PolarHBondContact O-N 3.49Å; E189-A196 HydrophobicContact CB-CB 3.87Å
190	V	98.7	Very high	98.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.9	-37.1	177.7	164.3	0	0	0	0	112.7	A185 D186 A196 W200 L212 L225 R228	A185-V190 HydrophobicContact CB-CG2 4Å; D186-V190 WeakPolarHBondContact O-CB 3.34Å; D186-V190 WeakPolarHBondContact O-CG2 3.37Å; D186-V190 PolarHBondContact O-N 3.26Å; V190-A196 HydrophobicContact CG2-CB 4.4Å; V190-W200 HydrophobicContact CG1-CD2 3.88Å; V190-W200 HydrophobicContact CG1-CE3 3.34Å; V190-W200 HydrophobicContact CG1-CG 4.44Å; V190-W200 HydrophobicContact CG1-CH2 4.49Å; V190-W200 HydrophobicContact CG1-CZ3 3.69Å; V190-W200 HydrophobicContact CG2-CB 3.92Å; V190-W200 HydrophobicContact CG2-CG 4.36Å; V190-L212 HydrophobicContact CG2-CD2 4.08Å; V190-L225 HydrophobicContact CG1-CD1 3.88Å; V190-R228 PolarHBondContact O-NE 2.79Å
191	L	98.5	Very high	98.5	Very high	20 Å²	20	48.8 Å²	48.8	11%	0.105	26%	0.262	C	S	.	.	H	α-helix	trans	-70.8	-30.5	178.7	-74.7	179.7	0	0	0	114.1	F187 Q188 E189 R224 L225 R228	F187-L191 HydrophobicContact CD1-CD1 4.05Å; F187-L191 HydrophobicContact CE1-CD1 3.54Å; F187-L191 HydrophobicContact CE2-CD1 4.24Å; F187-L191 HydrophobicContact CZ-CD1 3.66Å; F187-L191 HydrophobicContact CZ-CG 4.42Å; F187-L191 VanDerWaalsContact O-CG 3.29Å; F187-L191 WeakPolarHBondContact O-CG 3.46Å; F187-L191 PolarHBondContact O-N 3.48Å; F187-L191 VanDerWaalsContact O-N 3.16Å; Q188-L191 PolarHBondContact O-N 2.91Å; E189-L191 VanDerWaalsContact C-N 3.27Å; E189-L191 PolarHBondContact O-N 3.44Å; L191-R224 HydrophobicContact CD1-CG 4.11Å; L191-R224 HydrophobicContact CD2-CG 4.32Å; L191-L225 HydrophobicContact CD2-CD1 4.34Å; L191-R228 HydrophobicContact CD2-CB 3.97Å; L191-R228 HydrophobicContact CD2-CG 4.44Å; L191-R228 WeakPolarHBondContact O-CD 3.18Å; L191-R228 PolarHBondContact O-NE 2.88Å
192	H	97.9	Very high	98.5	Very high	132 Å²	132	42.8 Å²	42.8	61%	0.611	24%	0.236	S	C	*	.	H	α-helix	trans	-120	-15.7	-167.8	-52.5	97.2	0	0	0	115	Q188 E189	Q188-H192 PolarHBondContact O-N 2.96Å; Q188-H192 PolarHBondContact O-ND1 3.44Å; Q188-H192 PolarHBondContact OE1-CE1 2.68Å; E189-H192 PolarHBondContact O-N 2.83Å; E189-H192 VanDerWaalsContact O-N 3.15Å
193	D	98.3	Very high	98.5	Very high	84 Å²	84	42.8 Å²	42.8	45%	0.449	24%	0.239	S	C	.	.			trans	-114	132.9	176.5	-179.5	-111	0	0	0	112	E189 G195 A196 A197 R228	E189-D193 WeakPolarHBondContact O-CB 3.2Å; E189-D193 PolarHBondContact O-N 3.49Å; D193-G195 WeakPolarHBondContact OD1-CA 3.34Å; D193-G195 PolarHBondContact OD1-N 2.83Å; D193-A196 HydrophobicContact CB-CB 4.13Å; D193-A196 PolarHBondContact OD1-N 3.28Å; D193-A197 WeakPolarHBondContact O-CB 3.45Å; D193-A197 PolarHBondContact O-N 3.28Å; D193-A197 VanDerWaalsContact O-N 3.09Å; D193-R228 PolarHBondContact O-NH2 3.16Å
194	D	98.1	Very high	98.5	Very high	41 Å²	41	41.1 Å²	41.1	22%	0.219	23%	0.228	C	C	.	.	H	α-helix	trans	-74.4	-28.7	179.3	-91.5	15.8	0	0	0	111.8	L198 R228 V439 N442 V443	D194-L198 VanDerWaalsContact O-CB 3.28Å; D194-L198 WeakPolarHBondContact O-CB 3.27Å; D194-L198 PolarHBondContact O-N 3.4Å; D194-R228 IonicContact OD1-CZ 3.97Å; D194-R228 VanDerWaalsContact OD1-CZ 3.24Å; D194-R228 IonicContact OD1-NH1 2.65Å; D194-R228 PolarHBondContact OD1-NH1 2.87Å; D194-R228 IonicContact OD1-NH2 2.64Å; D194-R228 PolarHBondContact OD1-NH2 2.7Å; D194-V439 HydrophobicContact CB-CG1 3.79Å; D194-V439 WeakPolarHBondContact O-CG1 3.46Å; D194-N442 VanDerWaalsContact OD2-CB 3.25Å; D194-N442 WeakPolarHBondContact OD2-CB 3.42Å; D194-N442 PolarHBondContact OD2-ND2 3.21Å; D194-V443 VanDerWaalsContact C-CG2 3.48Å; D194-V443 HydrophobicContact CB-CG2 3.86Å; D194-V443 WeakPolarHBondContact O-CG2 3.07Å
195	G	98.3	Very high	98.5	Very high	28 Å²	28	36.5 Å²	36.5	29%	0.289	21%	0.205	S	C	.	.	H	α-helix	trans	-65.9	-48	173.6	0	0	0	0	0	112.5	D193 L198 A199	D193-G195 WeakPolarHBondContact OD1-CA 3.34Å; D193-G195 PolarHBondContact OD1-N 2.83Å; G195-L198 PolarHBondContact O-N 3.36Å; G195-A199 WeakPolarHBondContact O-CB 3.25Å; G195-A199 PolarHBondContact O-N 3.5Å
196	A	98.5	Very high	98.5	Very high	15 Å²	15	37.3 Å²	37.3	12%	0.124	20%	0.202	C	C	.	.	H	α-helix	trans	-62.9	-44.5	175.3	0	0	0	0	0	111.9	E189 V190 D193 L198 A199 W200	E189-A196 HydrophobicContact CB-CB 3.87Å; V190-A196 HydrophobicContact CG2-CB 4.4Å; D193-A196 HydrophobicContact CB-CB 4.13Å; D193-A196 PolarHBondContact OD1-N 3.28Å; A196-L198 VanDerWaalsContact C-N 3.35Å; A196-L198 PolarHBondContact O-N 2.95Å; A196-A199 PolarHBondContact O-N 3.07Å; A196-W200 WeakPolarHBondContact O-CB 3.34Å; A196-W200 PolarHBondContact O-N 3.37Å
197	A	98.7	Very high	98.5	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-61.9	-40.6	175	0	0	0	0	0	112.3	D193 W200 L201 V439	D193-A197 WeakPolarHBondContact O-CB 3.45Å; D193-A197 PolarHBondContact O-N 3.28Å; D193-A197 VanDerWaalsContact O-N 3.09Å; A197-W200 PolarHBondContact O-N 2.88Å; A197-L201 WeakPolarHBondContact O-CB 3.14Å; A197-L201 VanDerWaalsContact O-CG 3.26Å; A197-L201 WeakPolarHBondContact O-CG 3.26Å; A197-L201 PolarHBondContact O-N 3.25Å; A197-V439 HydrophobicContact CB-CG1 4.27Å
198	L	98.7	Very high	98.5	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.037	19%	0.194	C	C	.	.	H	α-helix	trans	-63.3	-46.6	174.8	-178.9	59.5	0	0	0	111.7	D194 G195 A196 W200 L201 L202 L436 V439 R440 V443	D194-L198 VanDerWaalsContact O-CB 3.28Å; D194-L198 WeakPolarHBondContact O-CB 3.27Å; D194-L198 PolarHBondContact O-N 3.4Å; G195-L198 PolarHBondContact O-N 3.36Å; A196-L198 VanDerWaalsContact C-N 3.35Å; A196-L198 PolarHBondContact O-N 2.95Å; L198-W200 VanDerWaalsContact C-N 3.33Å; L198-W200 PolarHBondContact O-N 3.3Å; L198-L201 PolarHBondContact O-N 2.91Å; L198-L202 HydrophobicContact CD1-CD1 3.86Å; L198-L202 HydrophobicContact CD1-CD2 4.48Å; L198-L202 HydrophobicContact CD1-CG 3.88Å; L198-L202 HydrophobicContact CD2-CD1 4.44Å; L198-L202 HydrophobicContact CG-CD1 3.77Å; L198-L202 HydrophobicContact CG-CG 4.22Å; L198-L202 WeakPolarHBondContact O-CB 3.43Å; L198-L202 VanDerWaalsContact O-CG 3.26Å; L198-L202 WeakPolarHBondContact O-CG 3.3Å; L198-L202 PolarHBondContact O-N 3.44Å; L198-L436 HydrophobicContact CD1-CD2 4.31Å; L198-V439 HydrophobicContact CB-CG1 3.91Å; L198-R440 HydrophobicContact CD1-CB 3.63Å; L198-R440 HydrophobicContact CD1-CG 4.05Å; L198-R440 HydrophobicContact CD2-CB 4.42Å; L198-R440 HydrophobicContact CD2-CG 4.35Å; L198-V443 HydrophobicContact CB-CG2 4.3Å; L198-V443 HydrophobicContact CD2-CB 3.84Å; L198-V443 HydrophobicContact CD2-CG1 3.94Å; L198-V443 HydrophobicContact CD2-CG2 4.02Å
199	A	98.6	Very high	98.5	Very high	61 Å²	61	32.4 Å²	32.4	50%	0.504	18%	0.179	S	C	.	.	H	α-helix	trans	-59.9	-43.5	178.5	0	0	0	0	0	111.7	G195 A196 A203	G195-A199 WeakPolarHBondContact O-CB 3.25Å; G195-A199 PolarHBondContact O-N 3.5Å; A196-A199 PolarHBondContact O-N 3.07Å; A199-A203 VanDerWaalsContact O-CB 3.26Å; A199-A203 WeakPolarHBondContact O-CB 3.34Å; A199-A203 PolarHBondContact O-N 3.01Å
200	W	98.8	Very high	98.5	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.011	15%	0.153	C	C	.	.	H	α-helix	trans	-59.5	-52.3	173.2	164.3	50.2	0	0	0	112.3	V190 A196 A197 L198 L202 A203 L204 L212 L225 I229 F276 T399	V190-W200 HydrophobicContact CG1-CD2 3.88Å; V190-W200 HydrophobicContact CG1-CE3 3.34Å; V190-W200 HydrophobicContact CG1-CG 4.44Å; V190-W200 HydrophobicContact CG1-CH2 4.49Å; V190-W200 HydrophobicContact CG1-CZ3 3.69Å; V190-W200 HydrophobicContact CG2-CB 3.92Å; V190-W200 HydrophobicContact CG2-CG 4.36Å; A196-W200 WeakPolarHBondContact O-CB 3.34Å; A196-W200 PolarHBondContact O-N 3.37Å; A197-W200 PolarHBondContact O-N 2.88Å; L198-W200 VanDerWaalsContact C-N 3.33Å; L198-W200 PolarHBondContact O-N 3.3Å; W200-L202 PolarHBondContact O-N 2.93Å; W200-A203 PolarHBondContact O-N 3.34Å; W200-L204 VanDerWaalsContact O-CB 3.32Å; W200-L204 WeakPolarHBondContact O-CB 3.41Å; W200-L204 PolarHBondContact O-N 2.9Å; W200-L212 HydrophobicContact CG-CD2 4.27Å; W200-L225 HydrophobicContact CH2-CD1 3.58Å; W200-L225 HydrophobicContact CH2-CD2 4.22Å; W200-L225 HydrophobicContact CH2-CG 3.75Å; W200-L225 HydrophobicContact CZ2-CD1 4.06Å; W200-L225 HydrophobicContact CZ2-CD2 4.01Å; W200-L225 HydrophobicContact CZ2-CG 4.07Å; W200-L225 HydrophobicContact CZ3-CD1 4Å; W200-I229 HydrophobicContact CH2-CD1 3.49Å; W200-I229 VanDerWaalsContact CH2-CD1 3.49Å; W200-I229 HydrophobicContact CH2-CG1 3.95Å; W200-I229 HydrophobicContact CZ2-CD1 4.21Å; W200-I229 HydrophobicContact CZ3-CD1 4.1Å; W200-I229 HydrophobicContact CZ3-CG1 4.1Å; W200-F276 AromaticContact CH2-CZ 3.97Å; W200-F276 HydrophobicContact CH2-CZ 3.97Å; W200-F276 AromaticContact CZ2-CE1 3.99Å; W200-F276 HydrophobicContact CZ2-CE1 3.99Å; W200-F276 AromaticContact CZ2-CZ 3.73Å; W200-F276 HydrophobicContact CZ2-CZ 3.73Å; W200-T399 HydrophobicContact CZ2-CG2 4.05Å; W200-T399 PolarHBondContact NE1-OG1 2.93Å
201	L	98.8	Very high	98.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-67.3	-36	-176.7	-67.4	173.7	0	0	0	112.5	A197 L198 R205 I229 V432 R435 L436	A197-L201 WeakPolarHBondContact O-CB 3.14Å; A197-L201 VanDerWaalsContact O-CG 3.26Å; A197-L201 WeakPolarHBondContact O-CG 3.26Å; A197-L201 PolarHBondContact O-N 3.25Å; L198-L201 PolarHBondContact O-N 2.91Å; L201-R205 VanDerWaalsContact O-CB 3.32Å; L201-R205 WeakPolarHBondContact O-CB 3.35Å; L201-R205 PolarHBondContact O-N 3.4Å; L201-I229 HydrophobicContact CD2-CD1 4.18Å; L201-I229 HydrophobicContact CD2-CG1 4.37Å; L201-V432 HydrophobicContact CD2-CG1 3.9Å; L201-R435 HydrophobicContact CD1-CB 4.3Å; L201-R435 HydrophobicContact CD1-CG 3.82Å; L201-L436 HydrophobicContact CB-CB 4.18Å; L201-L436 HydrophobicContact CB-CD1 3.97Å; L201-L436 HydrophobicContact CB-CG 3.86Å; L201-L436 HydrophobicContact CD1-CB 4.2Å
202	L	98.6	Very high	98.5	Very high	48 Å²	48	26.4 Å²	26.4	25%	0.251	15%	0.15	S	C	.	.	H	α-helix	trans	-65.8	-44	172.3	-72.4	174.6	0	0	0	111.9	L170 L198 W200 R205 R206 L436	L170-L202 HydrophobicContact CD1-CD2 3.58Å; L170-L202 HydrophobicContact CD2-CD2 4.42Å; L198-L202 HydrophobicContact CD1-CD1 3.86Å; L198-L202 HydrophobicContact CD1-CD2 4.48Å; L198-L202 HydrophobicContact CD1-CG 3.88Å; L198-L202 HydrophobicContact CD2-CD1 4.44Å; L198-L202 HydrophobicContact CG-CD1 3.77Å; L198-L202 HydrophobicContact CG-CG 4.22Å; L198-L202 WeakPolarHBondContact O-CB 3.43Å; L198-L202 VanDerWaalsContact O-CG 3.26Å; L198-L202 WeakPolarHBondContact O-CG 3.3Å; L198-L202 PolarHBondContact O-N 3.44Å; W200-L202 PolarHBondContact O-N 2.93Å; L202-R205 PolarHBondContact O-N 3.34Å; L202-R206 WeakPolarHBondContact O-CB 3.39Å; L202-R206 PolarHBondContact O-N 3.12Å; L202-L436 HydrophobicContact CD2-CD1 4.43Å; L202-L436 HydrophobicContact CD2-CD2 4.05Å
203	A	98.6	Very high	98.5	Very high	20 Å²	20	22.6 Å²	22.6	17%	0.165	13%	0.132	C	C	.	.	H	α-helix	trans	-64.9	-43.5	176.4	0	0	0	0	0	111.4	P183 A199 W200 R205 R206 V207 G208 V210	P183-A203 HydrophobicContact CB-CB 4.19Å; P183-A203 HydrophobicContact CG-CB 4.43Å; A199-A203 VanDerWaalsContact O-CB 3.26Å; A199-A203 WeakPolarHBondContact O-CB 3.34Å; A199-A203 PolarHBondContact O-N 3.01Å; W200-A203 PolarHBondContact O-N 3.34Å; A203-R205 VanDerWaalsContact C-N 3.33Å; A203-R205 PolarHBondContact O-N 2.83Å; A203-R206 PolarHBondContact O-N 3.06Å; A203-V207 WeakPolarHBondContact O-CA 3.35Å; A203-V207 VanDerWaalsContact O-CB 3.26Å; A203-V207 WeakPolarHBondContact O-CB 3.33Å; A203-V207 PolarHBondContact O-N 2.85Å; A203-G208 PolarHBondContact O-N 2.59Å; A203-V210 HydrophobicContact CB-CG2 3.67Å
204	L	98.8	Very high	98.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.4	-44	174.2	-179.4	59.3	0	0	0	111.1	W200 G208 V210 V274 T399 W429 V432	W200-L204 VanDerWaalsContact O-CB 3.32Å; W200-L204 WeakPolarHBondContact O-CB 3.41Å; W200-L204 PolarHBondContact O-N 2.9Å; L204-G208 WeakPolarHBondContact O-CA 3.45Å; L204-G208 PolarHBondContact O-N 2.95Å; L204-V210 HydrophobicContact CB-CG2 4.06Å; L204-V274 HydrophobicContact CD2-CG1 4.09Å; L204-V274 HydrophobicContact CD2-CG2 4.46Å; L204-T399 WeakPolarHBondContact CD1-O 3.46Å; L204-W429 HydrophobicContact CG-CH2 4.04Å; L204-V432 HydrophobicContact CD2-CG1 4.38Å
205	R	98.1	Very high	98.5	Very high	37 Å²	37	19.2 Å²	19.2	14%	0.14	13%	0.126	C	C	.	.	H	α-helix	trans	-71.4	-40.1	178.7	-175.9	55.3	176	161.5	-3.5	113.6	F169 L170 R173 L201 L202 A203 W429 M433 L436	F169-R205 PolarHBondContact O-NE 2.91Å; F169-R205 VanDerWaalsContact O-NE 3.15Å; F169-R205 PolarHBondContact O-NH2 3.42Å; L170-R205 HydrophobicContact CB-CG 3.9Å; L170-R205 HydrophobicContact CD1-CG 4.38Å; L170-R205 PolarHBondContact O-NE 3.19Å; R173-R205 PolarHBondContact NH1-O 3.17Å; R173-R205 VanDerWaalsContact NH2-NH2 3.11Å; L201-R205 VanDerWaalsContact O-CB 3.32Å; L201-R205 WeakPolarHBondContact O-CB 3.35Å; L201-R205 PolarHBondContact O-N 3.4Å; L202-R205 PolarHBondContact O-N 3.34Å; A203-R205 VanDerWaalsContact C-N 3.33Å; A203-R205 PolarHBondContact O-N 2.83Å; R205-W429 HydrophobicContact CB-CH2 4.25Å; R205-W429 HydrophobicContact CB-CZ3 4.35Å; R205-M433 HydrophobicContact CG-SD 3.98Å; R205-L436 HydrophobicContact CB-CD1 4.19Å
206	R	98.1	Very high	98.6	Very high	45 Å²	45	20 Å²	20	17%	0.17	13%	0.126	C	C	.	.	H	α-helix	trans	-88	-40.7	-175.1	-67.8	-171.4	163.7	-141	-12	113.4	E166 E172 Y174 L202 A203 R404	E166-R206 IonicContact OE1-CZ 3.78Å; E166-R206 IonicContact OE1-NH2 2.93Å; E166-R206 PolarHBondContact OE1-NH2 3.25Å; E172-R206 IonicContact OE2-CZ 3.74Å; E172-R206 IonicContact OE2-NH1 2.81Å; E172-R206 PolarHBondContact OE2-NH1 2.79Å; E172-R206 IonicContact OE2-NH2 3.44Å; E172-R206 PolarHBondContact OE2-NH2 2.62Å; Y174-R206 HydrophobicContact CD2-CB 3.76Å; Y174-R206 HydrophobicContact CE2-CB 3.76Å; Y174-R206 HydrophobicContact CE2-CG 4.37Å; Y174-R206 PolarHBondContact N-O 3.22Å; Y174-R206 PolarHBondContact OH-NH1 3.08Å; L202-R206 WeakPolarHBondContact O-CB 3.39Å; L202-R206 PolarHBondContact O-N 3.12Å; A203-R206 PolarHBondContact O-N 3.06Å; R206-R404 PolarHBondContact O-NH1 3.09Å
207	V	98.6	Very high	98.5	Very high	17 Å²	17	21.8 Å²	21.8	10%	0.103	14%	0.141	C	C	.	.	H	α-helix	trans	-92.4	-30.3	180	-173.4	0	0	0	0	111.9	Y174 W176 L180 P183 A203 I209 R404	Y174-V207 HydrophobicContact CD2-CG2 4.15Å; W176-V207 PolarHBondContact NE1-O 3.09Å; L180-V207 HydrophobicContact CD1-CG1 3.83Å; L180-V207 HydrophobicContact CD2-CG1 4.19Å; P183-V207 HydrophobicContact CG-CB 4.27Å; P183-V207 HydrophobicContact CG-CG1 4.09Å; P183-V207 HydrophobicContact CG-CG2 4.05Å; A203-V207 WeakPolarHBondContact O-CA 3.35Å; A203-V207 VanDerWaalsContact O-CB 3.26Å; A203-V207 WeakPolarHBondContact O-CB 3.33Å; A203-V207 PolarHBondContact O-N 2.85Å; V207-I209 HydrophobicContact CG1-CG2 4.28Å; V207-R404 VanDerWaalsContact C-NH1 3.28Å; V207-R404 PolarHBondContact O-NH1 3.29Å
208	G	98.6	Very high	98.4	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	89	-5.8	-179	0	0	0	0	0	114.7	A203 L204 F400 D401 L405	A203-G208 PolarHBondContact O-N 2.59Å; L204-G208 WeakPolarHBondContact O-CA 3.45Å; L204-G208 PolarHBondContact O-N 2.95Å; G208-F400 CarbonylContact O-C 3.58Å; G208-F400 WeakPolarHBondContact O-CA 3.46Å; G208-F400 WeakPolarHBondContact O-CB 3.41Å; G208-D401 PolarHBondContact O-N 2.87Å; G208-L405 WeakPolarHBondContact O-CD1 3.37Å
209	I	98.9	Very high	98.4	Very high	1 Å²	1	32 Å²	32	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	140.5	178.5	-175.3	165.1	0	0	0	111.6	W176 L180 I182 P183 V207 A291 Y390 V398 T399 F400 L405	W176-I209 HydrophobicContact CZ2-CG2 4.23Å; L180-I209 HydrophobicContact CD2-CG2 3.78Å; I182-I209 HydrophobicContact CD1-CD1 4.11Å; I182-I209 HydrophobicContact CG2-CD1 4.45Å; I182-I209 HydrophobicContact CG2-CG1 3.99Å; I182-I209 HydrophobicContact CG2-CG2 4.3Å; P183-I209 WeakPolarHBondContact CD-O 3.28Å; V207-I209 HydrophobicContact CG1-CG2 4.28Å; I209-A291 HydrophobicContact CD1-CB 4.45Å; I209-Y390 HydrophobicContact CD1-CE1 4.36Å; I209-V398 HydrophobicContact CD1-CG1 3.75Å; I209-V398 HydrophobicContact CG1-CG1 3.8Å; I209-T399 WeakPolarHBondContact CA-O 3.49Å; I209-F400 HydrophobicContact CB-CB 4.16Å; I209-F400 HydrophobicContact CG1-CB 4.15Å; I209-L405 HydrophobicContact CB-CD2 3.67Å; I209-L405 HydrophobicContact CD1-CD2 3.99Å; I209-L405 HydrophobicContact CG1-CD2 4.36Å; I209-L405 HydrophobicContact CG2-CD2 3.99Å
210	V	98.9	Very high	98.4	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	143.4	173.6	-171.5	0	0	0	0	109.9	P183 A203 L204 L212 V398 T399	P183-V210 HydrophobicContact CB-CG1 4.34Å; P183-V210 HydrophobicContact CB-CG2 4.43Å; P183-V210 WeakPolarHBondContact O-CG1 3.48Å; A203-V210 HydrophobicContact CB-CG2 3.67Å; L204-V210 HydrophobicContact CB-CG2 4.06Å; V210-L212 HydrophobicContact CG1-CD2 4.1Å; V210-V398 WeakPolarHBondContact O-CA 3.19Å; V210-T399 PolarHBondContact N-O 3.01Å; V210-T399 PolarHBondContact O-N 2.79Å
211	H	98.3	Very high	98.4	Very high	13 Å²	13	30.9 Å²	30.9	6%	0.06	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	99.8	179.9	-161.8	164.4	0	0	0	110.2	I182 P183 Q184 A185 K213 T391 D396 I397 V398	I182-H211 HydrophobicContact CG2-CB 3.89Å; P183-H211 PolarHBondContact O-N 3.32Å; Q184-H211 VanDerWaalsContact CA-O 3.31Å; Q184-H211 WeakPolarHBondContact CA-O 3.4Å; Q184-H211 HydrophobicContact CG-CB 4.39Å; A185-H211 PolarHBondContact N-O 3.11Å; H211-K213 PolarHBondContact CD2-NZ 3.39Å; H211-K213 PolarHBondContact CE1-NZ 2.97Å; H211-K213 PolarHBondContact ND1-NZ 2.86Å; H211-K213 PolarHBondContact NE2-NZ 2.71Å; H211-T391 PolarHBondContact CE1-O 3.27Å; H211-D396 IonicContact CE1-OD2 3.94Å; H211-D396 PolarHBondContact CE1-OD2 2.94Å; H211-D396 VanDerWaalsContact CE1-OD2 3.28Å; H211-D396 WeakPolarHBondContact NE2-CB 3.46Å; H211-D396 IonicContact NE2-OD1 2.83Å; H211-D396 PolarHBondContact NE2-OD1 3.04Å; H211-D396 IonicContact NE2-OD2 3.53Å; H211-D396 PolarHBondContact NE2-OD2 2.7Å; H211-I397 CarbonylContact C-O 3.43Å; H211-V398 HydrophobicContact CB-CG2 4.33Å; H211-V398 VanDerWaalsContact CD2-CG2 3.5Å; H211-V398 WeakPolarHBondContact CD2-CG2 3.28Å
212	L	98.7	Very high	98.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	138.3	174.3	-51.5	-176.6	0	0	0	110.7	A185 F187 V190 W200 V210 L225 I397 T399	A185-L212 HydrophobicContact CB-CD2 3.78Å; A185-L212 CarbonylContact O-C 3.52Å; A185-L212 VanDerWaalsContact O-CA 3.3Å; A185-L212 WeakPolarHBondContact O-CA 3.41Å; F187-L212 HydrophobicContact CD2-CD1 4.49Å; V190-L212 HydrophobicContact CG2-CD2 4.08Å; W200-L212 HydrophobicContact CG-CD2 4.27Å; V210-L212 HydrophobicContact CG1-CD2 4.1Å; L212-L225 HydrophobicContact CD1-CD1 3.83Å; L212-L225 HydrophobicContact CD1-CD2 3.52Å; L212-L225 HydrophobicContact CD1-CG 4.35Å; L212-I397 HydrophobicContact CB-CB 4.23Å; L212-I397 PolarHBondContact N-O 2.9Å; L212-I397 PolarHBondContact O-N 3.03Å; L212-T399 HydrophobicContact CD1-CG2 4.15Å; L212-T399 HydrophobicContact CG-CG2 4.43Å
213	K	98.5	Very high	98.3	Very high	51 Å²	51	30 Å²	30	22%	0.222	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	152.6	-177.9	-60.8	-53.2	-165.8	-173.8	0	111.5	A185 F187 H211 D396	A185-K213 PolarHBondContact O-N 3.43Å; F187-K213 WeakPolarHBondContact CB-O 3.37Å; F187-K213 PolarHBondContact N-O 2.83Å; H211-K213 PolarHBondContact CD2-NZ 3.39Å; H211-K213 PolarHBondContact CE1-NZ 2.97Å; H211-K213 PolarHBondContact ND1-NZ 2.86Å; H211-K213 PolarHBondContact NE2-NZ 2.71Å; K213-D396 WeakPolarHBondContact CD-OD1 3.48Å; K213-D396 IonicContact NZ-OD1 2.76Å; K213-D396 PolarHBondContact NZ-OD1 2.96Å; K213-D396 IonicContact NZ-OD2 3.36Å; K213-D396 PolarHBondContact NZ-OD2 2.88Å
214	G	98	Very high	98.3	Very high	47 Å²	47	33.4 Å²	33.4	49%	0.485	19%	0.189	S	C	.	.			trans	81	20	168.9	0	0	0	0	0	115.6	G395	G214-G395 PolarHBondContact N-O 2.82Å
215	A	98.6	Very high	98.3	Very high	8 Å²	8	33.4 Å²	33.4	7%	0.066	19%	0.189	C	C	.	.			trans	-70	146.7	166.6	0	0	0	0	0	110.5	F187 A217 Q221 G395 I397	F187-A215 HydrophobicContact CB-CB 4.31Å; F187-A215 HydrophobicContact CD1-CB 3.81Å; F187-A215 HydrophobicContact CD2-CB 4.01Å; F187-A215 HydrophobicContact CE1-CB 4.02Å; F187-A215 HydrophobicContact CE2-CB 4.2Å; F187-A215 HydrophobicContact CG-CB 3.79Å; F187-A215 HydrophobicContact CZ-CB 4.21Å; A215-A217 PolarHBondContact O-N 2.76Å; A215-Q221 HydrophobicContact CB-CB 4.38Å; A215-Q221 HydrophobicContact CB-CG 4.41Å; A215-G395 WeakPolarHBondContact CB-O 3.45Å; A215-G395 PolarHBondContact N-O 3.49Å; A215-G395 WeakPolarHBondContact O-CA 3.36Å; A215-I397 HydrophobicContact CB-CD1 3.9Å; A215-I397 HydrophobicContact CB-CG1 3.97Å
216	P	98.4	Very high	98.3	Very high	44 Å²	44	31.7 Å²	31.7	29%	0.286	18%	0.183	S	C	.	.			trans	-57.7	131.6	166.4	-24.3	34.4	0	0	0	110.9	E218 Q221 H278	P216-E218 HydrophobicContact CB-CG 3.97Å; P216-E218 PolarHBondContact O-N 3.32Å; P216-Q221 HydrophobicContact CB-CG 4.37Å; P216-Q221 VanDerWaalsContact O-CG 3.29Å; P216-Q221 WeakPolarHBondContact O-CG 3.13Å; P216-H278 PolarHBondContact O-CE1 3.07Å; P216-H278 PolarHBondContact O-NE2 3.41Å
217	A	97.6	Very high	98.3	Very high	52 Å²	52	36.4 Å²	36.4	43%	0.43	21%	0.206	S	C	.	.	S	Bend	trans	-77.9	58.8	-177.1	0	0	0	0	0	112.9	A215 P394	A215-A217 PolarHBondContact O-N 2.76Å; A217-P394 HydrophobicContact CB-CB 3.85Å
218	E	97.2	Very high	98.3	Very high	111 Å²	111	37.4 Å²	37.4	52%	0.519	21%	0.208	S	C	.	.	S	Bend	trans	-142.4	167.7	-178.7	64.6	-170.7	-177.8	0	0	111.2	P216 Q221 H278	P216-E218 HydrophobicContact CB-CG 3.97Å; P216-E218 PolarHBondContact O-N 3.32Å; E218-Q221 PolarHBondContact OE1-NE2 3.07Å; E218-H278 PolarHBondContact O-CE1 2.92Å; E218-H278 PolarHBondContact O-ND1 2.86Å
219	Q	97.9	Very high	98.3	Very high	112 Å²	112	37.7 Å²	37.7	52%	0.523	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	156	177.7	-67.3	176.2	52.4	0	0	111.7	I280 E423	Q219-I280 HydrophobicContact CB-CD1 4.36Å; Q219-I280 HydrophobicContact CG-CD1 3.54Å; Q219-E423 WeakPolarHBondContact CA-OE2 3.47Å
220	G	98.1	Very high	98.2	Very high	30 Å²	30	39.3 Å²	39.3	31%	0.309	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	-12.6	176.4	0	0	0	0	0	115.3	V222 A223 R224 E423	G220-V222 VanDerWaalsContact C-N 3.31Å; G220-V222 PolarHBondContact O-N 3.17Å; G220-A223 WeakPolarHBondContact O-CB 3.37Å; G220-A223 PolarHBondContact O-N 3.19Å; G220-A223 VanDerWaalsContact O-N 3.14Å; G220-R224 PolarHBondContact O-N 3.12Å; G220-E423 PolarHBondContact N-OE2 3.5Å
221	Q	98.6	Very high	98.2	Very high	11 Å²	11	46 Å²	46	5%	0.051	25%	0.253	C	S	.	.	H	α-helix	trans	-68.1	-29.4	-177.4	-54.7	-50	-44.1	0	0	113.2	F187 A215 P216 E218 L225 I397	F187-Q221 HydrophobicContact CE2-CB 4.37Å; F187-Q221 HydrophobicContact CZ-CB 3.92Å; A215-Q221 HydrophobicContact CB-CB 4.38Å; A215-Q221 HydrophobicContact CB-CG 4.41Å; P216-Q221 HydrophobicContact CB-CG 4.37Å; P216-Q221 VanDerWaalsContact O-CG 3.29Å; P216-Q221 WeakPolarHBondContact O-CG 3.13Å; E218-Q221 PolarHBondContact OE1-NE2 3.07Å; Q221-L225 WeakPolarHBondContact O-CB 3.41Å; Q221-L225 PolarHBondContact O-N 3.36Å; Q221-I397 HydrophobicContact CB-CD1 4.13Å
222	V	98.4	Very high	98.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-70.3	-32.5	173.1	-61	0	0	0	0	112.5	G220 L225 A226 T240 F276 H278 I397 E423 A425	G220-V222 VanDerWaalsContact C-N 3.31Å; G220-V222 PolarHBondContact O-N 3.17Å; V222-L225 PolarHBondContact O-N 2.74Å; V222-A226 WeakPolarHBondContact O-CB 3.27Å; V222-A226 PolarHBondContact O-N 2.77Å; V222-T240 HydrophobicContact CG2-CG2 3.68Å; V222-F276 HydrophobicContact CB-CB 4.33Å; V222-F276 HydrophobicContact CB-CD2 4.38Å; V222-F276 HydrophobicContact CG1-CB 4.08Å; V222-H278 HydrophobicContact CG1-CB 3.5Å; V222-I397 HydrophobicContact CG1-CG2 4.5Å; V222-E423 HydrophobicContact CG2-CG 3.78Å; V222-A425 HydrophobicContact CB-CB 3.76Å; V222-A425 HydrophobicContact CG2-CB 3.52Å
223	A	98.3	Very high	98.2	Very high	29 Å²	29	48.9 Å²	48.9	24%	0.24	27%	0.265	C	S	.	.	H	α-helix	trans	-70.1	-45.2	174.6	0	0	0	0	0	110.7	G220 L225 A226 E227 L232	G220-A223 WeakPolarHBondContact O-CB 3.37Å; G220-A223 PolarHBondContact O-N 3.19Å; G220-A223 VanDerWaalsContact O-N 3.14Å; A223-L225 VanDerWaalsContact C-N 3.28Å; A223-L225 PolarHBondContact O-N 3.46Å; A223-A226 WeakPolarHBondContact O-CA 3.39Å; A223-A226 WeakPolarHBondContact O-CB 3.43Å; A223-A226 PolarHBondContact O-N 2.92Å; A223-E227 PolarHBondContact O-N 2.64Å; A223-L232 HydrophobicContact CB-CD1 3.97Å
224	R	98.4	Very high	98.2	Very high	93 Å²	93	50.2 Å²	50.2	35%	0.351	28%	0.275	S	S	.	.	H	α-helix	trans	-58.9	-37.2	173.1	-172.5	177.2	176.9	-161.3	-6.5	112.7	L191 G220	L191-R224 HydrophobicContact CD1-CG 4.11Å; L191-R224 HydrophobicContact CD2-CG 4.32Å; G220-R224 PolarHBondContact O-N 3.12Å
225	L	98.7	Very high	98.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-68.9	-35.7	172.8	-172.8	62.1	0	0	0	112.4	F187 V190 L191 W200 L212 Q221 V222 A223 R228 F276 I397 T399	F187-L225 HydrophobicContact CE2-CB 4.18Å; F187-L225 HydrophobicContact CE2-CD1 4.43Å; V190-L225 HydrophobicContact CG1-CD1 3.88Å; L191-L225 HydrophobicContact CD2-CD1 4.34Å; W200-L225 HydrophobicContact CH2-CD1 3.58Å; W200-L225 HydrophobicContact CH2-CD2 4.22Å; W200-L225 HydrophobicContact CH2-CG 3.75Å; W200-L225 HydrophobicContact CZ2-CD1 4.06Å; W200-L225 HydrophobicContact CZ2-CD2 4.01Å; W200-L225 HydrophobicContact CZ2-CG 4.07Å; W200-L225 HydrophobicContact CZ3-CD1 4Å; L212-L225 HydrophobicContact CD1-CD1 3.83Å; L212-L225 HydrophobicContact CD1-CD2 3.52Å; L212-L225 HydrophobicContact CD1-CG 4.35Å; Q221-L225 WeakPolarHBondContact O-CB 3.41Å; Q221-L225 PolarHBondContact O-N 3.36Å; V222-L225 PolarHBondContact O-N 2.74Å; A223-L225 VanDerWaalsContact C-N 3.28Å; A223-L225 PolarHBondContact O-N 3.46Å; L225-R228 WeakPolarHBondContact O-CB 3.39Å; L225-R228 PolarHBondContact O-N 3.03Å; L225-F276 HydrophobicContact CB-CD2 4.44Å; L225-F276 HydrophobicContact CB-CE2 4.08Å; L225-F276 HydrophobicContact CD2-CD2 3.88Å; L225-F276 HydrophobicContact CD2-CE2 3.66Å; L225-F276 HydrophobicContact CD2-CG 4.38Å; L225-F276 HydrophobicContact CD2-CZ 3.99Å; L225-F276 HydrophobicContact CG-CD2 4.31Å; L225-F276 HydrophobicContact CG-CE2 3.71Å; L225-F276 HydrophobicContact CG-CZ 4.14Å; L225-I397 HydrophobicContact CD2-CD1 4.36Å; L225-I397 HydrophobicContact CD2-CG2 4.2Å; L225-T399 HydrophobicContact CD2-CG2 3.88Å
226	A	98.4	Very high	98.1	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-68.9	-34.6	176.4	0	0	0	0	0	112.5	V222 A223 R228 I229 G230 L232 F276 L427	V222-A226 WeakPolarHBondContact O-CB 3.27Å; V222-A226 PolarHBondContact O-N 2.77Å; A223-A226 WeakPolarHBondContact O-CA 3.39Å; A223-A226 WeakPolarHBondContact O-CB 3.43Å; A223-A226 PolarHBondContact O-N 2.92Å; A226-R228 PolarHBondContact O-N 2.95Å; A226-I229 CarbonylContact O-C 3.59Å; A226-I229 WeakPolarHBondContact O-CA 3.48Å; A226-I229 WeakPolarHBondContact O-CB 3.14Å; A226-I229 PolarHBondContact O-N 2.94Å; A226-G230 CarbonylContact O-C 3.5Å; A226-G230 PolarHBondContact O-N 2.92Å; A226-L232 HydrophobicContact CB-CD2 3.3Å; A226-L232 HydrophobicContact CB-CG 3.61Å; A226-F276 HydrophobicContact CB-CE2 4.45Å; A226-L427 HydrophobicContact CB-CD1 4.29Å; A226-L427 HydrophobicContact CB-CD2 4.16Å; A226-L427 HydrophobicContact CB-CG 4.49Å
227	E	98.1	Very high	98.1	Very high	143 Å²	143	49.5 Å²	49.5	67%	0.668	25%	0.253	S	S	*	.	H	α-helix	trans	-59.1	-32.2	172.3	-70.2	172.8	173.9	0	0	112.6	A223 I229	A223-E227 PolarHBondContact O-N 2.64Å; E227-I229 PolarHBondContact O-N 3.35Å
228	R	98	Very high	98.1	Very high	38 Å²	38	47.3 Å²	47.3	14%	0.143	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.1	173.3	-174.6	57.1	169.3	138.1	-1.9	112.6	V190 L191 D193 D194 L225 A226 R435	V190-R228 PolarHBondContact O-NE 2.79Å; L191-R228 HydrophobicContact CD2-CB 3.97Å; L191-R228 HydrophobicContact CD2-CG 4.44Å; L191-R228 WeakPolarHBondContact O-CD 3.18Å; L191-R228 PolarHBondContact O-NE 2.88Å; D193-R228 PolarHBondContact O-NH2 3.16Å; D194-R228 IonicContact OD1-CZ 3.97Å; D194-R228 VanDerWaalsContact OD1-CZ 3.24Å; D194-R228 IonicContact OD1-NH1 2.65Å; D194-R228 PolarHBondContact OD1-NH1 2.87Å; D194-R228 IonicContact OD1-NH2 2.64Å; D194-R228 PolarHBondContact OD1-NH2 2.7Å; L225-R228 WeakPolarHBondContact O-CB 3.39Å; L225-R228 PolarHBondContact O-N 3.03Å; A226-R228 PolarHBondContact O-N 2.95Å; R228-R435 WeakPolarHBondContact O-CD 3.5Å; R228-R435 PolarHBondContact O-NE 2.89Å
229	I	98.4	Very high	98.1	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.031	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-61.3	172.9	-66.4	169.7	0	0	0	110.7	W200 L201 A226 E227 F276 L427 E431 V432 R435	W200-I229 HydrophobicContact CH2-CD1 3.49Å; W200-I229 VanDerWaalsContact CH2-CD1 3.49Å; W200-I229 HydrophobicContact CH2-CG1 3.95Å; W200-I229 HydrophobicContact CZ2-CD1 4.21Å; W200-I229 HydrophobicContact CZ3-CD1 4.1Å; W200-I229 HydrophobicContact CZ3-CG1 4.1Å; L201-I229 HydrophobicContact CD2-CD1 4.18Å; L201-I229 HydrophobicContact CD2-CG1 4.37Å; A226-I229 CarbonylContact O-C 3.59Å; A226-I229 WeakPolarHBondContact O-CA 3.48Å; A226-I229 WeakPolarHBondContact O-CB 3.14Å; A226-I229 PolarHBondContact O-N 2.94Å; E227-I229 PolarHBondContact O-N 3.35Å; I229-F276 HydrophobicContact CD1-CZ 3.86Å; I229-L427 HydrophobicContact CB-CD2 3.99Å; I229-L427 HydrophobicContact CD1-CD2 3.72Å; I229-L427 HydrophobicContact CG1-CD2 4.47Å; I229-L427 HydrophobicContact CG2-CD2 3.91Å; I229-E431 HydrophobicContact CG2-CB 4.21Å; I229-V432 HydrophobicContact CD1-CG2 4.23Å; I229-V432 HydrophobicContact CG2-CG2 4.35Å; I229-R435 HydrophobicContact CB-CB 4.41Å; I229-R435 HydrophobicContact CG1-CG 4.48Å; I229-R435 HydrophobicContact CG2-CB 4Å; I229-R435 VanDerWaalsContact O-CZ 3.24Å; I229-R435 PolarHBondContact O-NE 3.15Å; I229-R435 PolarHBondContact O-NH2 2.79Å
230	G	97.8	Very high	98.1	Very high	35 Å²	35	43 Å²	43	36%	0.361	22%	0.217	S	C	.	.	S	Bend	trans	-179.8	-79.9	-178.2	0	0	0	0	0	110.2	A226	A226-G230 CarbonylContact O-C 3.5Å; A226-G230 PolarHBondContact O-N 2.92Å
231	Y	98.2	Very high	98	Very high	143 Å²	143	42.3 Å²	42.3	56%	0.561	21%	0.205	S	C	*	.			trans	-149.6	166.4	-179.1	47.3	-102.1	0	0	0	111.8	E431	Y231-E431 HydrophobicContact CD2-CG 4.29Å; Y231-E431 HydrophobicContact CE1-CG 4.19Å; Y231-E431 HydrophobicContact CE2-CG 3.52Å; Y231-E431 VanDerWaalsContact CE2-OE1 3.27Å; Y231-E431 WeakPolarHBondContact CE2-OE1 3.47Å; Y231-E431 VanDerWaalsContact CZ-CG 3.46Å; Y231-E431 VanDerWaalsContact CZ-OE1 3.25Å; Y231-E431 WeakPolarHBondContact OH-CG 3.16Å; Y231-E431 PolarHBondContact OH-OE1 2.9Å
232	L	98.2	Very high	97.8	Very high	31 Å²	31	43.4 Å²	43.4	16%	0.162	21%	0.21	C	C	.	.			trans	-81.3	148.2	172.4	-71.3	175.3	0	0	0	111.7	A223 A226 L234 H239 T240 A425 L427	A223-L232 HydrophobicContact CB-CD1 3.97Å; A226-L232 HydrophobicContact CB-CD2 3.3Å; A226-L232 HydrophobicContact CB-CG 3.61Å; L232-L234 PolarHBondContact O-N 3.38Å; L232-H239 HydrophobicContact CD1-CB 4.36Å; L232-T240 HydrophobicContact CD1-CG2 3.88Å; L232-A425 HydrophobicContact CD2-CB 3.65Å; L232-L427 HydrophobicContact CD2-CD1 4.07Å; L232-L427 HydrophobicContact CD2-CG 4.46Å
233	R	98.1	Very high	97.3	Very high	41 Å²	41	44 Å²	44	16%	0.155	22%	0.215	C	C	.	.			trans	-82.1	111.9	166.6	-174.7	-168.6	177.1	147.7	-4.6	109.7	F270 A271 Y426 D428	R233-F270 VanDerWaalsContact CZ-O 3.28Å; R233-F270 PolarHBondContact NH1-O 2.67Å; R233-F270 PolarHBondContact NH2-O 3.11Å; R233-A271 PolarHBondContact NH1-O 3.02Å; R233-Y426 PolarHBondContact N-O 2.83Å; R233-D428 WeakPolarHBondContact CD-OD2 3.48Å; R233-D428 WeakPolarHBondContact CG-OD2 3.31Å; R233-D428 IonicContact CZ-OD1 3.9Å; R233-D428 IonicContact CZ-OD2 3.21Å; R233-D428 IonicContact NE-OD1 3.23Å; R233-D428 IonicContact NE-OD2 3.28Å; R233-D428 IonicContact NH1-OD1 3.73Å; R233-D428 PolarHBondContact NH1-OD1 3.01Å; R233-D428 IonicContact NH1-OD2 3.69Å; R233-D428 PolarHBondContact NH1-OD2 3.45Å
234	L	98.4	Very high	96.6	Very high	80 Å²	80	45.6 Å²	45.6	42%	0.419	22%	0.217	S	C	.	.			trans	-65.8	138.6	171	178.2	58.3	0	0	0	111	L232 G238 Y326	L232-L234 PolarHBondContact O-N 3.38Å; L234-G238 VanDerWaalsContact CD1-C 3.5Å; L234-Y326 HydrophobicContact CD1-CD1 4.13Å; L234-Y326 HydrophobicContact CD1-CE1 3.87Å; L234-Y326 HydrophobicContact CD1-CE2 4.49Å; L234-Y326 HydrophobicContact CD2-CE1 4.08Å; L234-Y326 HydrophobicContact CG-CE1 4.45Å
235	T	98.3	Very high	95.7	Very high	10 Å²	10	43.7 Å²	43.7	6%	0.061	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-135	-179.7	169.6	70.4	0	0	0	0	111.1	Y237 G238 Y265 Y426	T235-Y237 PolarHBondContact O-N 2.94Å; T235-Y237 PolarHBondContact OG1-N 3.43Å; T235-G238 PolarHBondContact N-O 2.83Å; T235-G238 WeakPolarHBondContact O-CA 3.27Å; T235-G238 PolarHBondContact O-N 2.98Å; T235-Y265 HydrophobicContact CG2-CD2 4.19Å; T235-Y265 HydrophobicContact CG2-CE2 3.84Å; T235-Y426 HydrophobicContact CG2-CD2 3.6Å; T235-Y426 HydrophobicContact CG2-CE2 4.09Å
236	F	97.6	Very high	94.6	Very high	65 Å²	65	46.5 Å²	46.5	29%	0.285	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-10	175.5	-58.2	-87	0	0	0	114.3	L268 Y326 C327 F329 L331	F236-L268 HydrophobicContact CE2-CD2 4.39Å; F236-Y326 VanDerWaalsContact O-CB 3.26Å; F236-Y326 WeakPolarHBondContact O-CB 3.47Å; F236-Y326 PolarHBondContact O-N 3.13Å; F236-C327 VanDerWaalsContact CD1-SG 3.56Å; F236-F329 HydrophobicContact CB-CB 4.02Å; F236-F329 HydrophobicContact CB-CD1 3.53Å; F236-F329 HydrophobicContact CB-CE1 4.06Å; F236-F329 HydrophobicContact CB-CG 3.81Å; F236-F329 HydrophobicContact CD1-CB 3.46Å; F236-F329 VanDerWaalsContact CD1-CB 3.46Å; F236-F329 HydrophobicContact CD1-CD1 4.34Å; F236-F329 HydrophobicContact CD1-CG 4.2Å; F236-F329 HydrophobicContact CD2-CB 4.4Å; F236-F329 HydrophobicContact CE1-CB 3.95Å; F236-F329 HydrophobicContact CG-CB 3.7Å; F236-F329 HydrophobicContact CG-CD1 4.19Å; F236-F329 HydrophobicContact CG-CG 4.04Å; F236-L331 HydrophobicContact CD2-CD1 3.75Å; F236-L331 HydrophobicContact CD2-CD2 4.06Å; F236-L331 HydrophobicContact CD2-CG 4.41Å; F236-L331 HydrophobicContact CE2-CD1 4.02Å; F236-L331 HydrophobicContact CE2-CD2 3.53Å; F236-L331 HydrophobicContact CE2-CG 4.35Å; F236-L331 HydrophobicContact CZ-CD2 3.92Å
237	Y	96.9	Very high	93	Very high	9 Å²	9	51.9 Å²	51.9	4%	0.035	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	11.9	167.6	-62.3	-79.7	0	0	0	112.7	T235 N251 Y254 Y265 D321 D325 F329	T235-Y237 PolarHBondContact O-N 2.94Å; T235-Y237 PolarHBondContact OG1-N 3.43Å; Y237-N251 HydrophobicContact CE1-CB 4.35Å; Y237-N251 PolarHBondContact OH-ND2 2.8Å; Y237-N251 VanDerWaalsContact OH-ND2 3.11Å; Y237-Y254 HydrophobicContact CD1-CE2 4.39Å; Y237-Y254 HydrophobicContact CE1-CE2 4.3Å; Y237-Y265 AromaticContact CD2-CE2 3.67Å; Y237-Y265 HydrophobicContact CD2-CE2 3.67Å; Y237-Y265 AromaticContact CD2-CZ 3.84Å; Y237-Y265 WeakPolarHBondContact CD2-OH 3.4Å; Y237-Y265 HydrophobicContact CE2-CE2 4.03Å; Y237-Y265 AromaticContact CE2-CZ 3.85Å; Y237-D321 WeakPolarHBondContact CE2-OD2 3.5Å; Y237-D321 PolarHBondContact OH-OD1 2.89Å; Y237-D321 PolarHBondContact OH-OD2 2.95Å; Y237-D325 HydrophobicContact CD1-CB 3.94Å; Y237-D325 HydrophobicContact CE1-CB 4.46Å; Y237-F329 HydrophobicContact CE1-CZ 4.25Å; Y237-F329 HydrophobicContact CE2-CZ 4.49Å; Y237-F329 AromaticContact CZ-CZ 3.97Å
238	G	97.4	Very high	91.4	Very high	5 Å²	5	54 Å²	54	5%	0.052	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	95.6	-167.9	175.3	0	0	0	0	0	114.7	L234 T235	L234-G238 VanDerWaalsContact CD1-C 3.5Å; T235-G238 PolarHBondContact N-O 2.83Å; T235-G238 WeakPolarHBondContact O-CA 3.27Å; T235-G238 PolarHBondContact O-N 2.98Å
239	H	97.3	Very high	89.8	Confident	94 Å²	94	54 Å²	54	44%	0.435	28%	0.283	S	S	.	.	S	Bend	trans	-77	-42.6	175.3	-66.1	83.9	0	0	0	110.9	L232	L232-H239 HydrophobicContact CD1-CB 4.36Å
240	T	98.2	Very high	88.3	Confident	38 Å²	38	56.5 Å²	56.5	23%	0.233	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.6	165.9	73.6	0	0	0	0	108.7	V222 L232 E423 G424 A425	V222-T240 HydrophobicContact CG2-CG2 3.68Å; L232-T240 HydrophobicContact CD1-CG2 3.88Å; T240-E423 WeakPolarHBondContact CB-OE1 3.26Å; T240-E423 PolarHBondContact OG1-OE1 2.94Å; T240-G424 CarbonylContact C-O 3.43Å; T240-G424 WeakPolarHBondContact CA-O 3.47Å; T240-G424 VanDerWaalsContact CB-O 3.31Å; T240-G424 WeakPolarHBondContact CB-O 3.21Å; T240-A425 HydrophobicContact CG2-CB 4.29Å
241	W	95.9	Very high	87.1	Confident	16 Å²	16	56.6 Å²	56.6	6%	0.061	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153.4	177.3	52.1	93.6	0	0	0	111.8	E423 G424 Y426	W241-E423 WeakPolarHBondContact O-CA 3.31Å; W241-G424 VanDerWaalsContact CZ2-C 3.47Å; W241-G424 PolarHBondContact N-O 3.43Å; W241-G424 PolarHBondContact O-N 3.38Å; W241-Y426 HydrophobicContact CE3-CE2 4.5Å; W241-Y426 AromaticContact CH2-CD1 3.75Å; W241-Y426 HydrophobicContact CH2-CD1 3.75Å; W241-Y426 AromaticContact CH2-CD2 3.04Å; W241-Y426 HydrophobicContact CH2-CD2 3.04Å; W241-Y426 AromaticContact CH2-CE1 3.83Å; W241-Y426 HydrophobicContact CH2-CE1 3.83Å; W241-Y426 AromaticContact CH2-CE2 3.11Å; W241-Y426 HydrophobicContact CH2-CE2 3.11Å; W241-Y426 AromaticContact CH2-CG 3.33Å; W241-Y426 HydrophobicContact CH2-CG 3.33Å; W241-Y426 AromaticContact CH2-CZ 3.5Å; W241-Y426 VanDerWaalsContact CH2-CZ 3.5Å; W241-Y426 HydrophobicContact CZ2-CD1 4.02Å; W241-Y426 AromaticContact CZ2-CD2 3.82Å; W241-Y426 HydrophobicContact CZ2-CD2 3.82Å; W241-Y426 AromaticContact CZ2-CE1 3.66Å; W241-Y426 HydrophobicContact CZ2-CE1 3.66Å; W241-Y426 AromaticContact CZ2-CE2 3.42Å; W241-Y426 HydrophobicContact CZ2-CE2 3.42Å; W241-Y426 VanDerWaalsContact CZ2-CE2 3.42Å; W241-Y426 HydrophobicContact CZ2-CG 4.06Å; W241-Y426 AromaticContact CZ2-CZ 3.31Å; W241-Y426 AromaticContact CZ3-CD2 3.56Å; W241-Y426 HydrophobicContact CZ3-CD2 3.56Å; W241-Y426 AromaticContact CZ3-CE2 3.71Å; W241-Y426 HydrophobicContact CZ3-CE2 3.71Å; W241-Y426 HydrophobicContact CZ3-CG 4.18Å
242	Q	94.2	Very high	85.7	Confident	34 Å²	34	53.3 Å²	53.3	16%	0.159	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	106.1	-171.9	-48.4	-53.6	-38.2	0	0	109.9	Q244 K246 Y254 H421 E423	Q242-Q244 PolarHBondContact O-N 3.04Å; Q242-K246 WeakPolarHBondContact O-CE 3.37Å; Q242-Y254 VanDerWaalsContact O-CE1 3.31Å; Q242-Y254 WeakPolarHBondContact O-CE1 3.36Å; Q242-H421 PolarHBondContact OE1-NE2 3.43Å; Q242-E423 PolarHBondContact NE2-OE1 3.49Å
243	V	87.6	Confident	84.3	Confident	14 Å²	14	52.8 Å²	52.8	9%	0.085	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	93.2	178.3	-173	0	0	0	0	109.4	Y254 H421 L422	V243-Y254 HydrophobicContact CG2-CE1 4.35Å; V243-H421 WeakPolarHBondContact O-CA 3.1Å; V243-L422 HydrophobicContact CB-CB 4.13Å; V243-L422 PolarHBondContact N-O 3.3Å; V243-L422 PolarHBondContact O-N 2.82Å
244	Q	85.2	Confident	83.3	Confident	61 Å²	61	51.1 Å²	51.1	29%	0.285	28%	0.278	S	S	.	.	S	Bend	trans	-142.4	163.7	177.1	63.7	-172.9	4.8	0	0	109.8	Q242 K246 Y254 R420	Q242-Q244 PolarHBondContact O-N 3.04Å; Q244-K246 HydrophobicContact CG-CG 4.12Å; Q244-K246 PolarHBondContact O-N 3.41Å; Q244-Y254 CarbonylContact O-C 3.5Å; Q244-Y254 WeakPolarHBondContact O-CA 3.3Å; Q244-Y254 WeakPolarHBondContact O-CB 3.21Å; Q244-R420 WeakPolarHBondContact CA-O 3.49Å
245	D	79.5	Confident	82.4	Confident	54 Å²	54	49.2 Å²	49.2	29%	0.289	27%	0.27	S	S	.	.			trans	-67.4	109.5	174.8	-158.8	26	0	0	0	109.3	Y254 T255 S256 S414	D245-Y254 WeakPolarHBondContact CA-O 3.27Å; D245-T255 WeakPolarHBondContact OD1-CA 3.5Å; D245-S256 PolarHBondContact OD1-N 2.94Å; D245-S414 WeakPolarHBondContact OD2-CB 3.34Å; D245-S414 PolarHBondContact OD2-OG 3.4Å
246	K	75.9	Confident	81.5	Confident	58 Å²	58	50.7 Å²	50.7	25%	0.252	28%	0.28	S	S	.	.			trans	-107.2	135	-176	-66.5	179.3	-170.6	172.5	0	110.9	Q242 Q244 M248 A249 Y254 D325	Q242-K246 WeakPolarHBondContact O-CE 3.37Å; Q244-K246 HydrophobicContact CG-CG 4.12Å; Q244-K246 PolarHBondContact O-N 3.41Å; K246-M248 PolarHBondContact O-N 3.39Å; K246-A249 PolarHBondContact O-N 3.08Å; K246-Y254 HydrophobicContact CD-CD1 4.31Å; K246-Y254 HydrophobicContact CD-CD2 3.81Å; K246-Y254 HydrophobicContact CD-CE2 4.44Å; K246-Y254 HydrophobicContact CD-CG 3.75Å; K246-Y254 HydrophobicContact CG-CG 4.31Å; K246-Y254 PolarHBondContact N-O 2.97Å; K246-Y254 VanDerWaalsContact NZ-CZ 3.32Å; K246-D325 IonicContact NZ-OD2 2.88Å
247	S	64.4	Low	80.8	Confident	114 Å²	114	49.1 Å²	49.1	80%	0.797	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	127.2	165	56.7	0	0	0	0	109.9
248	M	63.8	Low	80.5	Confident	189 Å²	189	53.6 Å²	53.6	93%	0.931	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	53	-171	-51.4	-171.4	-56.6	0	0	112.9	K246 N250	K246-M248 PolarHBondContact O-N 3.39Å; M248-N250 PolarHBondContact O-N 3.24Å; M248-N250 VanDerWaalsContact O-N 3.13Å
249	A	64.7	Low	80.1	Confident	36 Å²	36	54.4 Å²	54.4	30%	0.298	31%	0.305	S	S	.	.			trans	-52	115.7	174.8	0	0	0	0	0	112.4	K246 N251 T255	K246-A249 PolarHBondContact O-N 3.08Å; A249-N251 PolarHBondContact O-N 3.34Å; A249-T255 HydrophobicContact CB-CG2 3.9Å
250	N	66.5	Low	79.9	Confident	59 Å²	59	52.5 Å²	52.5	32%	0.316	30%	0.302	S	S	.	.	S	Bend	trans	-73.8	-10.2	171.9	58.2	-6.3	0	0	0	113	M248 Y254 T324 D325	M248-N250 PolarHBondContact O-N 3.24Å; M248-N250 VanDerWaalsContact O-N 3.13Å; N250-Y254 WeakPolarHBondContact OD1-CD2 3.47Å; N250-Y254 WeakPolarHBondContact OD1-CE2 3.37Å; N250-T324 PolarHBondContact ND2-O 3.28Å; N250-T324 VanDerWaalsContact ND2-O 3.08Å; N250-D325 PolarHBondContact ND2-OD2 2.83Å
251	N	72.3	Confident	79.9	Confident	38 Å²	38	50.9 Å²	50.9	20%	0.203	29%	0.292	C	S	.	.	S	Bend	trans	-144.7	142.5	177.5	-169.5	-61.3	0	0	0	110.4	Y237 A249 A253 Y254	Y237-N251 HydrophobicContact CE1-CB 4.35Å; Y237-N251 PolarHBondContact OH-ND2 2.8Å; Y237-N251 VanDerWaalsContact OH-ND2 3.11Å; A249-N251 PolarHBondContact O-N 3.34Å; N251-A253 PolarHBondContact O-N 3.01Å; N251-A253 VanDerWaalsContact O-N 3.12Å; N251-A253 WeakPolarHBondContact OD1-CB 3.42Å; N251-A253 PolarHBondContact OD1-N 3.48Å; N251-Y254 HydrophobicContact CB-CD2 3.82Å; N251-Y254 HydrophobicContact CB-CE2 3.84Å; N251-Y254 PolarHBondContact O-N 3Å
252	V	70.2	Confident	80.1	Confident	74 Å²	74	50.7 Å²	50.7	45%	0.448	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-58.3	-27.9	-179	-169.5	0	0	0	0	112.2	Y254 T255 L259 A354	V252-Y254 PolarHBondContact O-N 2.86Å; V252-T255 WeakPolarHBondContact O-CB 3.33Å; V252-T255 PolarHBondContact O-N 2.78Å; V252-T255 PolarHBondContact O-OG1 3.33Å; V252-L259 HydrophobicContact CB-CD2 4.24Å; V252-L259 HydrophobicContact CG1-CD2 3.79Å; V252-A354 HydrophobicContact CG2-CB 3.98Å
253	A	68.4	Low	80.3	Confident	20 Å²	20	49.1 Å²	49.1	17%	0.165	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-54.3	-34.6	174.4	0	0	0	0	0	113.2	N251 T255 L259 R409	N251-A253 PolarHBondContact O-N 3.01Å; N251-A253 VanDerWaalsContact O-N 3.12Å; N251-A253 WeakPolarHBondContact OD1-CB 3.42Å; N251-A253 PolarHBondContact OD1-N 3.48Å; A253-T255 PolarHBondContact O-N 3.38Å; A253-L259 HydrophobicContact CB-CD1 4.45Å; A253-R409 PolarHBondContact O-NH1 3.26Å
254	Y	75.8	Confident	80.8	Confident	5 Å²	5	49.5 Å²	49.5	2%	0.02	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-85.8	29.3	-179	-51.3	-41.8	0	0	0	113.8	Y237 Q242 V243 Q244 D245 K246 N250 N251 V252	Y237-Y254 HydrophobicContact CD1-CE2 4.39Å; Y237-Y254 HydrophobicContact CE1-CE2 4.3Å; Q242-Y254 VanDerWaalsContact O-CE1 3.31Å; Q242-Y254 WeakPolarHBondContact O-CE1 3.36Å; V243-Y254 HydrophobicContact CG2-CE1 4.35Å; Q244-Y254 CarbonylContact O-C 3.5Å; Q244-Y254 WeakPolarHBondContact O-CA 3.3Å; Q244-Y254 WeakPolarHBondContact O-CB 3.21Å; D245-Y254 WeakPolarHBondContact CA-O 3.27Å; K246-Y254 HydrophobicContact CD-CD1 4.31Å; K246-Y254 HydrophobicContact CD-CD2 3.81Å; K246-Y254 HydrophobicContact CD-CE2 4.44Å; K246-Y254 HydrophobicContact CD-CG 3.75Å; K246-Y254 HydrophobicContact CG-CG 4.31Å; K246-Y254 PolarHBondContact N-O 2.97Å; K246-Y254 VanDerWaalsContact NZ-CZ 3.32Å; N250-Y254 WeakPolarHBondContact OD1-CD2 3.47Å; N250-Y254 WeakPolarHBondContact OD1-CE2 3.37Å; N251-Y254 HydrophobicContact CB-CD2 3.82Å; N251-Y254 HydrophobicContact CB-CE2 3.84Å; N251-Y254 PolarHBondContact O-N 3Å; V252-Y254 PolarHBondContact O-N 2.86Å
255	T	79.9	Confident	81.4	Confident	41 Å²	41	47.1 Å²	47.1	25%	0.252	27%	0.274	S	S	.	.	S	Bend	trans	-123.6	172.4	174.3	72.6	0	0	0	0	110.9	D245 A249 V252 A253 G257 R409 Y412	D245-T255 WeakPolarHBondContact OD1-CA 3.5Å; A249-T255 HydrophobicContact CB-CG2 3.9Å; V252-T255 WeakPolarHBondContact O-CB 3.33Å; V252-T255 PolarHBondContact O-N 2.78Å; V252-T255 PolarHBondContact O-OG1 3.33Å; A253-T255 PolarHBondContact O-N 3.38Å; T255-G257 PolarHBondContact OG1-N 3.39Å; T255-R409 PolarHBondContact O-NH1 2.65Å; T255-R409 PolarHBondContact O-NH2 3.36Å; T255-Y412 PolarHBondContact O-OH 2.86Å
256	S	80.5	Confident	82.3	Confident	41 Å²	41	44.5 Å²	44.5	29%	0.287	26%	0.261	S	S	.	.	S	Bend	trans	-87.1	-3.1	173.5	50.7	0	0	0	0	115.9	D245 S411 Y412	D245-S256 PolarHBondContact OD1-N 2.94Å; S256-S411 WeakPolarHBondContact O-CA 3.34Å; S256-Y412 PolarHBondContact O-N 2.99Å; S256-Y412 VanDerWaalsContact O-N 3.11Å
257	G	83	Confident	83.3	Confident	31 Å²	31	41.9 Å²	41.9	32%	0.32	25%	0.249	S	C	.	.	S	Bend	trans	-68	172.9	-177.5	0	0	0	0	0	115	T255 R409	T255-G257 PolarHBondContact OG1-N 3.39Å; G257-R409 PolarHBondContact O-NH2 3.33Å
258	K	90.2	Very high	84.9	Confident	103 Å²	103	37.8 Å²	37.8	45%	0.448	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-67.8	132.4	167.2	172.7	163.9	-175.2	156	0	109.1	E290 R409	K258-E290 WeakPolarHBondContact CE-OE2 3.37Å; K258-E290 IonicContact NZ-OE1 3.31Å; K258-E290 IonicContact NZ-OE2 3.62Å; K258-E290 PolarHBondContact NZ-OE2 2.65Å; K258-R409 CarbonylContact C-O 3.6Å; K258-R409 WeakPolarHBondContact CA-O 3.44Å; K258-R409 WeakPolarHBondContact CG-O 3.45Å
259	L	89.6	Confident	86.5	Confident	22 Å²	22	34.9 Å²	34.9	12%	0.115	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.4	162	-58.1	175.1	0	0	0	107.6	V252 A253 R409	V252-L259 HydrophobicContact CB-CD2 4.24Å; V252-L259 HydrophobicContact CG1-CD2 3.79Å; A253-L259 HydrophobicContact CB-CD1 4.45Å; L259-R409 HydrophobicContact CB-CB 4.14Å; L259-R409 HydrophobicContact CD1-CB 4.17Å; L259-R409 HydrophobicContact CG-CB 4.33Å; L259-R409 PolarHBondContact N-O 3.23Å; L259-R409 PolarHBondContact O-N 3.08Å
260	S	92.9	Very high	88	Confident	55 Å²	55	37.5 Å²	37.5	39%	0.385	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	161.3	170.1	52.3	0	0	0	0	110.8	H262	S260-H262 PolarHBondContact O-N 2.92Å; S260-H262 PolarHBondContact O-ND1 2.89Å
261	L	98.1	Very high	89.5	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	124.5	172.9	-64.2	166.5	0	0	0	110.5	E290 V292 Y351 M381 V387 L406 H407	L261-E290 HydrophobicContact CD2-CB 4.1Å; L261-V292 HydrophobicContact CD1-CB 4.37Å; L261-V292 HydrophobicContact CD1-CG1 3.88Å; L261-V292 HydrophobicContact CD2-CG1 4.21Å; L261-V292 HydrophobicContact CG-CG1 4.46Å; L261-Y351 WeakPolarHBondContact O-CE1 3.33Å; L261-M381 HydrophobicContact CD1-CB 3.99Å; L261-M381 VanDerWaalsContact CD1-O 3.25Å; L261-M381 WeakPolarHBondContact CD1-O 3.27Å; L261-V387 HydrophobicContact CD1-CG2 4.31Å; L261-L406 HydrophobicContact CB-CB 4.01Å; L261-H407 CarbonylContact C-O 3.31Å; L261-H407 VanDerWaalsContact CA-O 3.3Å; L261-H407 WeakPolarHBondContact CA-O 3.35Å
262	H	98.6	Very high	90.7	Very high	12 Å²	12	33 Å²	33	6%	0.056	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157.7	179.9	60.1	-67.2	0	0	0	112.2	S260 D264 Y351 N352 L406 H407	S260-H262 PolarHBondContact O-N 2.92Å; S260-H262 PolarHBondContact O-ND1 2.89Å; H262-D264 IonicContact CD2-OD1 3.55Å; H262-D264 PolarHBondContact CD2-OD1 3.18Å; H262-D264 IonicContact NE2-OD1 2.81Å; H262-D264 PolarHBondContact NE2-OD1 3.5Å; H262-Y351 CarbonylContact C-O 3.52Å; H262-Y351 WeakPolarHBondContact CA-O 3.33Å; H262-Y351 WeakPolarHBondContact CB-O 3.44Å; H262-N352 HydrophobicContact CB-CB 4.03Å; H262-N352 PolarHBondContact CD2-ND2 2.99Å; H262-N352 VanDerWaalsContact CD2-ND2 3.34Å; H262-L406 CarbonylContact O-C 3.6Å; H262-L406 WeakPolarHBondContact O-CA 3.44Å; H262-H407 AromaticContact CD2-CE1 3.83Å; H262-H407 AromaticContact CE1-CE1 3.84Å; H262-H407 PolarHBondContact CE1-O 3.18Å; H262-H407 PolarHBondContact N-O 3.25Å; H262-H407 PolarHBondContact ND1-O 3.36Å; H262-H407 AromaticContact NE2-CE1 3.51Å; H262-H407 AromaticContact NE2-NE2 3.84Å; H262-H407 PolarHBondContact O-N 3.16Å; H262-H407 PolarHBondContact O-ND1 2.81Å
263	T	98.8	Very high	92.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	16%	0.162	C	C	.	.			trans	-93.4	146	157.3	59.2	0	0	0	0	109.3	I349 Y351 N352 N402 L405 L406	T263-I349 HydrophobicContact CG2-CB 4.08Å; T263-I349 HydrophobicContact CG2-CG2 4.28Å; T263-I349 VanDerWaalsContact CG2-O 3.27Å; T263-I349 WeakPolarHBondContact CG2-O 3.32Å; T263-I349 PolarHBondContact OG1-O 2.93Å; T263-Y351 PolarHBondContact N-O 2.94Å; T263-Y351 PolarHBondContact OG1-N 2.89Å; T263-N352 WeakPolarHBondContact O-CB 3.38Å; T263-N402 WeakPolarHBondContact CB-O 3.47Å; T263-N402 VanDerWaalsContact CG2-O 3.29Å; T263-N402 WeakPolarHBondContact CG2-O 3.49Å; T263-L405 WeakPolarHBondContact CG2-O 3.46Å; T263-L406 HydrophobicContact CG2-CD2 4.44Å; T263-L406 HydrophobicContact CG2-CG 3.97Å
264	D	98.4	Very high	93.5	Very high	22 Å²	22	28.5 Å²	28.5	12%	0.118	15%	0.154	C	C	.	.	S	Bend	trans	-81.5	145.6	-179.8	-91.5	-9.7	0	0	0	112.6	H262 P266 Q275 N402 H407 Y426	H262-D264 IonicContact CD2-OD1 3.55Å; H262-D264 PolarHBondContact CD2-OD1 3.18Å; H262-D264 IonicContact NE2-OD1 2.81Å; H262-D264 PolarHBondContact NE2-OD1 3.5Å; D264-P266 VanDerWaalsContact C-CD 3.41Å; D264-Q275 PolarHBondContact OD2-NE2 2.91Å; D264-N402 PolarHBondContact N-OD1 2.9Å; D264-N402 PolarHBondContact O-ND2 2.91Å; D264-H407 IonicContact OD1-CE1 2.89Å; D264-H407 IonicContact OD2-CE1 3.65Å; D264-H407 IonicContact OD2-NE2 3.95Å; D264-Y426 HydrophobicContact CB-CE1 4.04Å; D264-Y426 WeakPolarHBondContact CB-OH 3.3Å; D264-Y426 PolarHBondContact OD2-OH 3.49Å
265	Y	97.8	Very high	94.6	Very high	11 Å²	11	28.4 Å²	28.4	4%	0.043	15%	0.154	C	C	.	.			trans	60.3	36.6	171.7	-118.4	-46.3	0	0	0	118.3	T235 Y237 A267 L268 P272 L331 Y426	T235-Y265 HydrophobicContact CG2-CD2 4.19Å; T235-Y265 HydrophobicContact CG2-CE2 3.84Å; Y237-Y265 AromaticContact CD2-CE2 3.67Å; Y237-Y265 HydrophobicContact CD2-CE2 3.67Å; Y237-Y265 AromaticContact CD2-CZ 3.84Å; Y237-Y265 WeakPolarHBondContact CD2-OH 3.4Å; Y237-Y265 HydrophobicContact CE2-CE2 4.03Å; Y237-Y265 AromaticContact CE2-CZ 3.85Å; Y265-A267 PolarHBondContact O-N 3.32Å; Y265-L268 HydrophobicContact CD1-CB 4.27Å; Y265-L268 HydrophobicContact CD1-CD1 3.47Å; Y265-L268 VanDerWaalsContact CD1-CD1 3.47Å; Y265-L268 HydrophobicContact CD1-CG 3.45Å; Y265-L268 VanDerWaalsContact CD1-CG 3.45Å; Y265-L268 HydrophobicContact CD2-CD1 4.06Å; Y265-L268 HydrophobicContact CE1-CD1 3.72Å; Y265-L268 HydrophobicContact CE1-CD2 4.35Å; Y265-L268 HydrophobicContact CE1-CG 3.66Å; Y265-L268 HydrophobicContact CE2-CD1 4.27Å; Y265-L268 HydrophobicContact CG-CD1 3.66Å; Y265-L268 HydrophobicContact CG-CG 4.13Å; Y265-L268 PolarHBondContact O-N 2.84Å; Y265-P272 VanDerWaalsContact CB-CD 3.48Å; Y265-P272 HydrophobicContact CD2-CG 4.42Å; Y265-L331 HydrophobicContact CE1-CD1 3.58Å; Y265-Y426 AromaticContact CD2-CE2 3.73Å; Y265-Y426 HydrophobicContact CD2-CE2 3.73Å; Y265-Y426 HydrophobicContact CE2-CE2 4.23Å
266	P	98.1	Very high	95.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.6	174.1	29.5	-36	0	0	0	113.4	D264 L268 F319 S333 N335 N350 N352	D264-P266 VanDerWaalsContact C-CD 3.41Å; P266-L268 PolarHBondContact O-N 2.9Å; P266-F319 HydrophobicContact CB-CD1 3.83Å; P266-F319 HydrophobicContact CB-CD2 4.21Å; P266-F319 HydrophobicContact CB-CE1 3.91Å; P266-F319 HydrophobicContact CB-CE2 4.28Å; P266-F319 HydrophobicContact CB-CG 3.99Å; P266-F319 HydrophobicContact CB-CZ 4.13Å; P266-F319 HydrophobicContact CG-CD1 3.62Å; P266-F319 HydrophobicContact CG-CE1 3.78Å; P266-F319 HydrophobicContact CG-CG 4.21Å; P266-F319 HydrophobicContact CG-CZ 4.46Å; P266-S333 PolarHBondContact O-OG 3.44Å; P266-N335 PolarHBondContact O-ND2 3Å; P266-N350 HydrophobicContact CB-CB 4.18Å; P266-N352 HydrophobicContact CG-CB 3.59Å
267	A	98.1	Very high	96.4	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.017	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-8.5	169.7	0	0	0	0	0	114.2	Y265 F319 D321 L331 S333	Y265-A267 PolarHBondContact O-N 3.32Å; A267-F319 HydrophobicContact CB-CB 4.23Å; A267-D321 HydrophobicContact CB-CB 3.92Å; A267-L331 HydrophobicContact CB-CB 4.39Å; A267-S333 WeakPolarHBondContact CA-OG 3.44Å; A267-S333 WeakPolarHBondContact O-CB 3.16Å
268	L	98.3	Very high	97.2	Very high	28 Å²	28	23.8 Å²	23.8	15%	0.147	12%	0.117	C	C	.	.	S	Bend	trans	-94.2	139.5	163.9	-68.4	169.3	0	0	0	109.8	F236 Y265 P266 F270 L331	F236-L268 HydrophobicContact CE2-CD2 4.39Å; Y265-L268 HydrophobicContact CD1-CB 4.27Å; Y265-L268 HydrophobicContact CD1-CD1 3.47Å; Y265-L268 VanDerWaalsContact CD1-CD1 3.47Å; Y265-L268 HydrophobicContact CD1-CG 3.45Å; Y265-L268 VanDerWaalsContact CD1-CG 3.45Å; Y265-L268 HydrophobicContact CD2-CD1 4.06Å; Y265-L268 HydrophobicContact CE1-CD1 3.72Å; Y265-L268 HydrophobicContact CE1-CD2 4.35Å; Y265-L268 HydrophobicContact CE1-CG 3.66Å; Y265-L268 HydrophobicContact CE2-CD1 4.27Å; Y265-L268 HydrophobicContact CG-CD1 3.66Å; Y265-L268 HydrophobicContact CG-CG 4.13Å; Y265-L268 PolarHBondContact O-N 2.84Å; P266-L268 PolarHBondContact O-N 2.9Å; L268-F270 PolarHBondContact O-N 2.79Å; L268-L331 HydrophobicContact CD2-CD1 4.21Å
269	H	96.8	Very high	97.5	Very high	128 Å²	128	18.9 Å²	18.9	59%	0.593	10%	0.096	S	C	*	.	S	Bend	trans	-57.7	-30.8	171.9	-69.8	91.6	0	0	0	112.7	Q332 R348	H269-Q332 PolarHBondContact CE1-O 2.76Å; H269-R348 PolarHBondContact O-NH1 3.3Å
270	F	96.4	Very high	97.9	Very high	92 Å²	92	19 Å²	19	40%	0.404	10%	0.096	S	C	.	.	S	Bend	trans	-123.5	87.9	172.9	-170.6	-113.5	0	0	0	108.4	R233 L268 W403	R233-F270 VanDerWaalsContact CZ-O 3.28Å; R233-F270 PolarHBondContact NH1-O 2.67Å; R233-F270 PolarHBondContact NH2-O 3.11Å; L268-F270 PolarHBondContact O-N 2.79Å; F270-W403 HydrophobicContact CD2-CZ2 4.27Å; F270-W403 HydrophobicContact CE1-CZ2 4.28Å; F270-W403 AromaticContact CE2-CH2 3.67Å; F270-W403 HydrophobicContact CE2-CH2 3.67Å; F270-W403 AromaticContact CE2-CZ2 3.47Å; F270-W403 HydrophobicContact CE2-CZ2 3.47Å; F270-W403 VanDerWaalsContact CE2-CZ2 3.47Å; F270-W403 AromaticContact CZ-CH2 3.66Å; F270-W403 HydrophobicContact CZ-CH2 3.66Å; F270-W403 AromaticContact CZ-CZ2 3.48Å; F270-W403 HydrophobicContact CZ-CZ2 3.48Å; F270-W403 VanDerWaalsContact CZ-CZ2 3.48Å
271	A	97.3	Very high	98	Very high	2 Å²	2	18.3 Å²	18.3	2%	0.017	9%	0.088	C	C	.	.			trans	-60.9	152.1	176.8	0	0	0	0	0	111.6	R233 W403	R233-A271 PolarHBondContact NH1-O 3.02Å; A271-W403 PolarHBondContact O-NE1 2.91Å
272	P	98.4	Very high	97.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.09	C	C	.	.			trans	-51.8	137.1	174.5	-28.1	35.9	0	0	0	113.3	Y265 N402 W403 Y426	Y265-P272 VanDerWaalsContact CB-CD 3.48Å; Y265-P272 HydrophobicContact CD2-CG 4.42Å; P272-N402 WeakPolarHBondContact O-CB 3.43Å; P272-N402 PolarHBondContact O-ND2 3.39Å; P272-W403 VanDerWaalsContact O-CD1 3.26Å; P272-W403 PolarHBondContact O-NE1 3.09Å; P272-Y426 HydrophobicContact CB-CD1 3.48Å; P272-Y426 VanDerWaalsContact CB-CD1 3.48Å; P272-Y426 HydrophobicContact CB-CD2 4.15Å; P272-Y426 HydrophobicContact CB-CE1 4.15Å; P272-Y426 HydrophobicContact CB-CG 3.52Å; P272-Y426 HydrophobicContact CG-CD1 3.74Å; P272-Y426 HydrophobicContact CG-CD2 3.58Å; P272-Y426 HydrophobicContact CG-CE1 4.08Å; P272-Y426 HydrophobicContact CG-CE2 3.97Å; P272-Y426 HydrophobicContact CG-CG 3.51Å
273	G	98.6	Very high	97.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-75.8	-45.6	179.2	0	0	0	0	0	113.7	N402 L427 W429	G273-N402 PolarHBondContact O-N 2.79Å; G273-L427 PolarHBondContact N-O 2.83Å; G273-W429 PolarHBondContact O-NE1 3.24Å; G273-W429 VanDerWaalsContact O-NE1 3.15Å
274	V	98.9	Very high	96.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	138.4	-177	172.9	0	0	0	0	110.2	L204 F276 F400 Y426 L427 W429 V432	L204-V274 HydrophobicContact CD2-CG1 4.09Å; L204-V274 HydrophobicContact CD2-CG2 4.46Å; V274-F276 HydrophobicContact CG1-CD1 3.97Å; V274-F276 HydrophobicContact CG1-CE1 3.6Å; V274-F400 WeakPolarHBondContact CA-O 3.3Å; V274-Y426 WeakPolarHBondContact O-CA 2.44Å; V274-L427 HydrophobicContact CB-CB 4.4Å; V274-L427 PolarHBondContact N-O 3.48Å; V274-L427 PolarHBondContact O-N 2.97Å; V274-W429 HydrophobicContact CG2-CD2 3.75Å; V274-W429 HydrophobicContact CG2-CE3 4.08Å; V274-W429 HydrophobicContact CG2-CG 4.31Å; V274-W429 HydrophobicContact CG2-CH2 4.06Å; V274-W429 HydrophobicContact CG2-CZ2 3.72Å; V274-W429 HydrophobicContact CG2-CZ3 4.23Å; V274-V432 HydrophobicContact CB-CG2 4.32Å; V274-V432 HydrophobicContact CG2-CG2 3.95Å
275	Q	98.9	Very high	96.3	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.1	173.9	-171.7	-177.6	149.6	0	0	111.1	D264 L277 T399 F400 N402 Y426	D264-Q275 PolarHBondContact OD2-NE2 2.91Å; Q275-L277 HydrophobicContact CG-CG 4.49Å; Q275-L277 VanDerWaalsContact OE1-CD2 3.31Å; Q275-L277 VanDerWaalsContact OE1-CG 3.25Å; Q275-T399 CarbonylContact O-C 3.6Å; Q275-T399 WeakPolarHBondContact O-CA 3.47Å; Q275-F400 HydrophobicContact CB-CD1 4.3Å; Q275-F400 HydrophobicContact CB-CD2 4.36Å; Q275-F400 HydrophobicContact CB-CE1 3.84Å; Q275-F400 HydrophobicContact CB-CE2 3.91Å; Q275-F400 HydrophobicContact CB-CZ 3.65Å; Q275-F400 HydrophobicContact CG-CE1 3.93Å; Q275-F400 HydrophobicContact CG-CE2 4.48Å; Q275-F400 HydrophobicContact CG-CZ 3.78Å; Q275-F400 PolarHBondContact N-O 2.92Å; Q275-F400 VanDerWaalsContact NE2-CZ 3.34Å; Q275-F400 WeakPolarHBondContact O-CD1 3.27Å; Q275-F400 PolarHBondContact O-N 3.42Å; Q275-N402 HydrophobicContact CB-CB 4.38Å; Q275-Y426 HydrophobicContact CB-CD1 4.07Å; Q275-Y426 HydrophobicContact CB-CE1 4.13Å; Q275-Y426 HydrophobicContact CG-CD1 3.97Å; Q275-Y426 HydrophobicContact CG-CE1 3.74Å
276	F	98.8	Very high	96	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	135.1	167.3	-61.5	-12.1	0	0	0	109.6	W200 V222 L225 A226 I229 V274 I397 V398 T399 G424 A425 L427	W200-F276 AromaticContact CH2-CZ 3.97Å; W200-F276 HydrophobicContact CH2-CZ 3.97Å; W200-F276 AromaticContact CZ2-CE1 3.99Å; W200-F276 HydrophobicContact CZ2-CE1 3.99Å; W200-F276 AromaticContact CZ2-CZ 3.73Å; W200-F276 HydrophobicContact CZ2-CZ 3.73Å; V222-F276 HydrophobicContact CB-CB 4.33Å; V222-F276 HydrophobicContact CB-CD2 4.38Å; V222-F276 HydrophobicContact CG1-CB 4.08Å; L225-F276 HydrophobicContact CB-CD2 4.44Å; L225-F276 HydrophobicContact CB-CE2 4.08Å; L225-F276 HydrophobicContact CD2-CD2 3.88Å; L225-F276 HydrophobicContact CD2-CE2 3.66Å; L225-F276 HydrophobicContact CD2-CG 4.38Å; L225-F276 HydrophobicContact CD2-CZ 3.99Å; L225-F276 HydrophobicContact CG-CD2 4.31Å; L225-F276 HydrophobicContact CG-CE2 3.71Å; L225-F276 HydrophobicContact CG-CZ 4.14Å; A226-F276 HydrophobicContact CB-CE2 4.45Å; I229-F276 HydrophobicContact CD1-CZ 3.86Å; V274-F276 HydrophobicContact CG1-CD1 3.97Å; V274-F276 HydrophobicContact CG1-CE1 3.6Å; F276-I397 HydrophobicContact CB-CG2 4.46Å; F276-V398 WeakPolarHBondContact CA-O 3.04Å; F276-T399 HydrophobicContact CD1-CG2 3.39Å; F276-T399 HydrophobicContact CE1-CG2 3.55Å; F276-T399 HydrophobicContact CG-CG2 4.07Å; F276-T399 HydrophobicContact CZ-CG2 4.33Å; F276-G424 VanDerWaalsContact O-CA 3.32Å; F276-G424 WeakPolarHBondContact O-CA 3.5Å; F276-A425 HydrophobicContact CB-CB 4.35Å; F276-A425 PolarHBondContact N-O 2.91Å; F276-A425 PolarHBondContact O-N 3.15Å; F276-L427 HydrophobicContact CD1-CD1 4.32Å; F276-L427 HydrophobicContact CD2-CD1 3.7Å; F276-L427 HydrophobicContact CE1-CD1 4.01Å; F276-L427 HydrophobicContact CE2-CD1 3.35Å; F276-L427 HydrophobicContact CG-CD1 4.19Å; F276-L427 HydrophobicContact CZ-CD1 3.52Å; F276-L427 HydrophobicContact CZ-CD2 4.4Å
277	L	98.7	Very high	95.7	Very high	16 Å²	16	28.6 Å²	28.6	8%	0.084	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	118.6	168.2	-71.2	174.8	0	0	0	109.1	Q275 M392 I397 V398 F400 L422	Q275-L277 HydrophobicContact CG-CG 4.49Å; Q275-L277 VanDerWaalsContact OE1-CD2 3.31Å; Q275-L277 VanDerWaalsContact OE1-CG 3.25Å; L277-M392 HydrophobicContact CB-CE 4.22Å; L277-M392 WeakPolarHBondContact O-CE 3.39Å; L277-I397 CarbonylContact O-C 3.23Å; L277-I397 WeakPolarHBondContact O-CA 3.39Å; L277-V398 PolarHBondContact N-O 3.46Å; L277-V398 PolarHBondContact O-N 3.39Å; L277-F400 HydrophobicContact CD1-CE1 3.99Å; L277-F400 HydrophobicContact CD1-CZ 4.32Å; L277-F400 HydrophobicContact CG-CE1 4.21Å; L277-L422 HydrophobicContact CB-CD1 4.49Å; L277-L422 HydrophobicContact CD1-CD1 4.4Å; L277-L422 HydrophobicContact CD2-CD1 4.4Å
278	H	98.8	Very high	95.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.5	174.5	174.2	-139.3	0	0	0	110.6	P216 E218 V222 I280 D396 I397 L422 E423	P216-H278 PolarHBondContact O-CE1 3.07Å; P216-H278 PolarHBondContact O-NE2 3.41Å; E218-H278 PolarHBondContact O-CE1 2.92Å; E218-H278 PolarHBondContact O-ND1 2.86Å; V222-H278 HydrophobicContact CG1-CB 3.5Å; H278-I280 PolarHBondContact O-N 3.07Å; H278-D396 PolarHBondContact CD2-O 3.27Å; H278-I397 HydrophobicContact CB-CD1 4.29Å; H278-I397 HydrophobicContact CB-CG1 3.86Å; H278-L422 CarbonylContact O-C 3.57Å; H278-L422 WeakPolarHBondContact O-CA 3.35Å; H278-L422 WeakPolarHBondContact O-CB 3.47Å; H278-E423 PolarHBondContact N-O 2.84Å; H278-E423 PolarHBondContact O-N 2.9Å
279	C	98.3	Very high	95.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	109.4	175.1	-174.5	0	0	0	0	111	M392 K393 P394 G395 D396 L422	C279-M392 HydrophobicContact CB-CB 3.79Å; C279-M392 HydrophobicContact CB-CE 4.06Å; C279-K393 VanDerWaalsContact CB-O 3.29Å; C279-K393 WeakPolarHBondContact CB-O 3.47Å; C279-P394 CarbonylContact O-C 3.49Å; C279-P394 VanDerWaalsContact O-CA 3.28Å; C279-P394 WeakPolarHBondContact O-CA 3.38Å; C279-G395 PolarHBondContact O-N 3.14Å; C279-D396 PolarHBondContact N-O 2.85Å; C279-L422 HydrophobicContact CB-CD2 3.74Å
280	I	97.6	Very high	95.6	Very high	25 Å²	25	25 Å²	25	13%	0.128	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-45.8	173.7	-67.8	165	0	0	0	109.2	Q219 H278 H421 E423	Q219-I280 HydrophobicContact CB-CD1 4.36Å; Q219-I280 HydrophobicContact CG-CD1 3.54Å; H278-I280 PolarHBondContact O-N 3.07Å; I280-H421 HydrophobicContact CB-CB 4.49Å; I280-H421 VanDerWaalsContact CD1-CE1 3.44Å; I280-H421 WeakPolarHBondContact CD1-CE1 3.16Å; I280-H421 PolarHBondContact N-O 3.17Å; I280-E423 HydrophobicContact CD1-CB 3.84Å
281	N	94.3	Very high	95.7	Very high	40 Å²	40	20.7 Å²	20.7	21%	0.214	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	134	172.3	-169.4	20.5	0	0	0	111.6	R418 L419 R420 H421	N281-R418 WeakPolarHBondContact ND2-CG 3.38Å; N281-R418 PolarHBondContact OD1-NE 2.94Å; N281-R418 PolarHBondContact OD1-NH2 2.35Å; N281-L419 PolarHBondContact ND2-O 3.3Å; N281-R420 CarbonylContact O-C 3.54Å; N281-R420 WeakPolarHBondContact O-CA 3.32Å; N281-H421 HydrophobicContact CB-CB 4.39Å; N281-H421 PolarHBondContact N-O 3.23Å; N281-H421 PolarHBondContact O-N 3.32Å
282	Q	92.5	Very high	95.8	Very high	13 Å²	13	20.6 Å²	20.6	6%	0.061	11%	0.107	C	C	.	.			trans	-93.9	148.1	176.6	-170.7	56.1	-88.7	0	0	111.2	T391 M392 R418	Q282-T391 HydrophobicContact CG-CG2 4.37Å; Q282-M392 WeakPolarHBondContact CG-O 3.26Å; Q282-M392 PolarHBondContact NE2-O 2.95Å; Q282-R418 PolarHBondContact O-NE 3.48Å
283	A	89.9	Confident	95.8	Very high	11 Å²	11	20.6 Å²	20.6	9%	0.091	11%	0.107	C	C	.	.			trans	-57.3	152.6	168.7	0	0	0	0	0	111.1	Y412 R420	A283-Y412 HydrophobicContact CB-CD2 3.84Å; A283-Y412 HydrophobicContact CB-CG 4.04Å; A283-R420 HydrophobicContact CB-CB 4.1Å; A283-R420 HydrophobicContact CB-CG 4.29Å
284	K	86.7	Confident	95.8	Very high	138 Å²	138	20.6 Å²	20.6	60%	0.6	11%	0.107	S	C	*	.	S	Bend	trans	-73.8	-35.8	174.5	-168.8	-173.2	175	-166.1	0	112.2
285	E	89.8	Confident	95.8	Very high	74 Å²	74	21.1 Å²	21.1	35%	0.346	11%	0.109	S	C	.	.	S	Bend	trans	-139.8	117.6	-169.4	-73.3	155.6	-137.6	0	0	108.9	Y412 I413 R415	E285-Y412 WeakPolarHBondContact O-CA 3.49Å; E285-Y412 WeakPolarHBondContact O-CB 3.1Å; E285-I413 HydrophobicContact CB-CD1 4.37Å; E285-I413 PolarHBondContact O-N 2.96Å; E285-I413 VanDerWaalsContact O-N 3.1Å; E285-I413 WeakPolarHBondContact OE2-CD1 3.39Å; E285-R415 IonicContact OE1-CZ 3.21Å; E285-R415 IonicContact OE1-NH1 2.68Å; E285-R415 IonicContact OE1-NH2 2.76Å; E285-R415 PolarHBondContact OE1-NH2 2.81Å; E285-R415 IonicContact OE2-NH2 3.74Å; E285-R415 PolarHBondContact OE2-NH2 3.01Å
286	G	92.2	Very high	95.8	Very high	29 Å²	29	22.9 Å²	22.9	30%	0.299	12%	0.118	S	C	.	.	B	Isolated β-bridge	trans	76.2	-166.5	-174.3	0	0	0	0	0	114.3	E288	G286-E288 WeakPolarHBondContact CA-OE2 3.49Å
287	G	91.8	Very high	95.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.118	C	C	.	.			trans	85.3	16.2	175	0	0	0	0	0	114.8	S411 R420	G287-S411 PolarHBondContact N-O 2.84Å; G287-R420 PolarHBondContact O-NE 3.38Å; G287-R420 PolarHBondContact O-NH2 2.74Å
288	E	95.6	Very high	95.8	Very high	59 Å²	59	22.1 Å²	22.1	28%	0.276	11%	0.114	S	C	.	.			trans	-57.3	141.3	169	-53.4	84.9	169.4	0	0	110.3	G286 T389 R409 K410	G286-E288 WeakPolarHBondContact CA-OE2 3.49Å; E288-T389 HydrophobicContact CB-CG2 3.95Å; E288-R409 WeakPolarHBondContact O-CA 3.45Å; E288-K410 HydrophobicContact CB-CD 4.26Å; E288-K410 PolarHBondContact O-N 3.02Å; E288-K410 WeakPolarHBondContact OE2-CB 3.29Å
289	S	97.4	Very high	95.8	Very high	7 Å²	7	24.7 Å²	24.7	5%	0.049	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	144.8	175.2	-58.4	0	0	0	0	110	T389 Y390 G408	S289-T389 WeakPolarHBondContact O-CA 3.43Å; S289-Y390 VanDerWaalsContact CB-CE2 3.47Å; S289-Y390 PolarHBondContact N-O 3.49Å; S289-Y390 PolarHBondContact O-N 3.36Å; S289-G408 WeakPolarHBondContact CA-O 3.24Å
290	E	98.1	Very high	95.8	Very high	18 Å²	18	26 Å²	26	8%	0.084	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.8	173.5	-62.3	-179	145.9	0	0	107.9	K258 L261 V387 V388 H407 G408 K410	K258-E290 WeakPolarHBondContact CE-OE2 3.37Å; K258-E290 IonicContact NZ-OE1 3.31Å; K258-E290 IonicContact NZ-OE2 3.62Å; K258-E290 PolarHBondContact NZ-OE2 2.65Å; L261-E290 HydrophobicContact CD2-CB 4.1Å; E290-V387 HydrophobicContact CB-CG1 3.95Å; E290-V387 HydrophobicContact CG-CG1 4.25Å; E290-V388 CarbonylContact C-O 3.54Å; E290-V388 WeakPolarHBondContact CA-O 3.37Å; E290-H407 CarbonylContact O-C 3.48Å; E290-H407 WeakPolarHBondContact O-CA 3.37Å; E290-G408 PolarHBondContact N-O 3.15Å; E290-G408 PolarHBondContact O-N 2.75Å; E290-K410 HydrophobicContact CG-CG 4.29Å; E290-K410 WeakPolarHBondContact OE1-CE 3.29Å; E290-K410 IonicContact OE1-NZ 3.55Å
291	A	98.5	Very high	95.8	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.008	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.1	174.2	0	0	0	0	0	111.3	W176 I209 V388 Y390 L405 L406	W176-A291 HydrophobicContact CH2-CB 4.33Å; I209-A291 HydrophobicContact CD1-CB 4.45Å; A291-V388 PolarHBondContact N-O 2.78Å; A291-V388 PolarHBondContact O-N 2.74Å; A291-Y390 HydrophobicContact CB-CE1 3.98Å; A291-L405 HydrophobicContact CB-CD2 4.35Å; A291-L406 WeakPolarHBondContact CA-O 3.37Å
292	V	98.7	Very high	96	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	145.4	174.6	70.5	0	0	0	0	110.7	W176 L261 G294 M297 M381 N386 L405 L406	W176-V292 VanDerWaalsContact CH2-C 3.41Å; L261-V292 HydrophobicContact CD1-CB 4.37Å; L261-V292 HydrophobicContact CD1-CG1 3.88Å; L261-V292 HydrophobicContact CD2-CG1 4.21Å; L261-V292 HydrophobicContact CG-CG1 4.46Å; V292-G294 PolarHBondContact O-N 3.39Å; V292-M297 HydrophobicContact CG2-CE 4.2Å; V292-M297 HydrophobicContact CG2-CG 3.37Å; V292-M297 HydrophobicContact CG2-SD 3.68Å; V292-M381 HydrophobicContact CG1-CB 4.3Å; V292-M381 HydrophobicContact CG1-CG 4.24Å; V292-M381 HydrophobicContact CG1-SD 4.39Å; V292-N386 HydrophobicContact CG2-CB 4.29Å; V292-L405 WeakPolarHBondContact O-CA 3.48Å; V292-L406 HydrophobicContact CG1-CB 3.86Å; V292-L406 HydrophobicContact CG1-CD1 4Å; V292-L406 PolarHBondContact N-O 3.48Å; V292-L406 PolarHBondContact O-N 3.06Å; V292-L406 VanDerWaalsContact O-N 3.08Å
293	D	98.8	Very high	96.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	94.3	174.5	-173.7	-1.7	0	0	0	111.1	Y175 W176 F295 H296 M297 R404	Y175-D293 VanDerWaalsContact CA-OD2 3.29Å; Y175-D293 WeakPolarHBondContact CA-OD2 3.41Å; Y175-D293 WeakPolarHBondContact CD1-OD2 3.15Å; W176-D293 HydrophobicContact CD2-CB 3.83Å; W176-D293 HydrophobicContact CE3-CB 4.06Å; W176-D293 HydrophobicContact CG-CB 4.43Å; W176-D293 HydrophobicContact CH2-CB 4.09Å; W176-D293 VanDerWaalsContact CH2-N 3.29Å; W176-D293 HydrophobicContact CZ2-CB 3.83Å; W176-D293 HydrophobicContact CZ3-CB 4.19Å; W176-D293 PolarHBondContact N-OD2 2.97Å; D293-F295 PolarHBondContact O-N 2.86Å; D293-F295 VanDerWaalsContact O-N 3.14Å; D293-F295 PolarHBondContact OD1-N 3.37Å; D293-H296 HydrophobicContact CB-CB 3.87Å; D293-H296 PolarHBondContact O-N 3.31Å; D293-H296 VanDerWaalsContact O-N 3.07Å; D293-M297 VanDerWaalsContact O-CG 3.3Å; D293-M297 WeakPolarHBondContact O-CG 3.4Å; D293-M297 PolarHBondContact O-N 2.95Å; D293-R404 WeakPolarHBondContact OD1-CG 3.48Å; D293-R404 IonicContact OD1-CZ 2.75Å; D293-R404 IonicContact OD1-NE 2.71Å; D293-R404 PolarHBondContact OD1-NE 3.43Å; D293-R404 IonicContact OD1-NH2 3.24Å; D293-R404 IonicContact OD2-CZ 2.7Å; D293-R404 IonicContact OD2-NE 3.5Å; D293-R404 IonicContact OD2-NH2 3.94Å; D293-R404 PolarHBondContact OD2-NH2 2.9Å
294	G	98.8	Very high	96.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.9	-30.2	-175.6	0	0	0	0	0	114.2	V292 A298 Y377 R404	V292-G294 PolarHBondContact O-N 3.39Å; G294-A298 VanDerWaalsContact O-CB 3.27Å; G294-A298 WeakPolarHBondContact O-CB 3.44Å; G294-A298 PolarHBondContact O-N 3.44Å; G294-Y377 PolarHBondContact O-OH 2.98Å; G294-R404 WeakPolarHBondContact CA-O 3.38Å; G294-R404 PolarHBondContact N-O 3.24Å
295	F	98.7	Very high	97.3	Very high	11 Å²	11	32.9 Å²	32.9	5%	0.048	16%	0.157	C	C	.	.	H	α-helix	trans	-71.6	-45.3	175.9	-65.5	-0.9	0	0	0	110.9	Y175 D293 M297 A298 E299 V346 T347 I349 W403 R404	Y175-F295 HydrophobicContact CD1-CB 4.41Å; Y175-F295 HydrophobicContact CE1-CB 3.68Å; D293-F295 PolarHBondContact O-N 2.86Å; D293-F295 VanDerWaalsContact O-N 3.14Å; D293-F295 PolarHBondContact OD1-N 3.37Å; F295-M297 VanDerWaalsContact C-N 3.3Å; F295-M297 PolarHBondContact O-N 3.34Å; F295-A298 WeakPolarHBondContact O-CB 3.39Å; F295-A298 PolarHBondContact O-N 3.07Å; F295-A298 VanDerWaalsContact O-N 3.12Å; F295-E299 PolarHBondContact O-N 3.33Å; F295-V346 HydrophobicContact CD1-CB 4.21Å; F295-V346 HydrophobicContact CD1-CG1 3.44Å; F295-V346 VanDerWaalsContact CD1-CG1 3.44Å; F295-V346 HydrophobicContact CE1-CG1 3.79Å; F295-V346 HydrophobicContact CG-CB 4.4Å; F295-V346 HydrophobicContact CG-CG1 4.1Å; F295-T347 WeakPolarHBondContact CZ-O 3.19Å; F295-I349 HydrophobicContact CD1-CD1 4.17Å; F295-I349 HydrophobicContact CD1-CG1 4.05Å; F295-I349 HydrophobicContact CE1-CD1 4.48Å; F295-I349 HydrophobicContact CE1-CG1 4.16Å; F295-W403 WeakPolarHBondContact CE1-O 3.48Å; F295-R404 HydrophobicContact CB-CG 4.32Å; F295-R404 HydrophobicContact CD1-CB 4.26Å; F295-R404 HydrophobicContact CD1-CG 3.97Å; F295-R404 HydrophobicContact CD2-CB 4.2Å; F295-R404 HydrophobicContact CD2-CG 3.62Å; F295-R404 HydrophobicContact CE1-CB 3.91Å; F295-R404 HydrophobicContact CE1-CG 4.12Å; F295-R404 HydrophobicContact CE2-CB 3.83Å; F295-R404 HydrophobicContact CE2-CG 3.77Å; F295-R404 HydrophobicContact CG-CB 4.39Å; F295-R404 HydrophobicContact CG-CG 3.71Å; F295-R404 HydrophobicContact CZ-CB 3.66Å; F295-R404 HydrophobicContact CZ-CG 4.01Å
296	H	98.6	Very high	97.7	Very high	39 Å²	39	32.4 Å²	32.4	18%	0.181	16%	0.16	C	C	.	.	H	α-helix	trans	-61.2	-40.6	175.3	-170.2	49.2	0	0	0	112	Y175 W176 D293 A298 E299 Q300	Y175-H296 HydrophobicContact CD1-CB 4.19Å; Y175-H296 AromaticContact CD2-ND1 3.98Å; Y175-H296 HydrophobicContact CG-CB 4.06Å; Y175-H296 AromaticContact CG-ND1 3.97Å; W176-H296 PolarHBondContact O-CD2 3.4Å; D293-H296 HydrophobicContact CB-CB 3.87Å; D293-H296 PolarHBondContact O-N 3.31Å; D293-H296 VanDerWaalsContact O-N 3.07Å; H296-A298 VanDerWaalsContact C-N 3.3Å; H296-A298 PolarHBondContact O-N 2.86Å; H296-E299 PolarHBondContact O-N 3.15Å; H296-Q300 PolarHBondContact O-N 3.3Å
297	M	98.6	Very high	98	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.4	-34.4	175.4	-61.9	-57.6	101.6	0	0	112.3	V292 D293 F295 Q300 L301 Y377 I380 M381 N386	V292-M297 HydrophobicContact CG2-CE 4.2Å; V292-M297 HydrophobicContact CG2-CG 3.37Å; V292-M297 HydrophobicContact CG2-SD 3.68Å; D293-M297 VanDerWaalsContact O-CG 3.3Å; D293-M297 WeakPolarHBondContact O-CG 3.4Å; D293-M297 PolarHBondContact O-N 2.95Å; F295-M297 VanDerWaalsContact C-N 3.3Å; F295-M297 PolarHBondContact O-N 3.34Å; M297-Q300 PolarHBondContact O-N 2.81Å; M297-L301 WeakPolarHBondContact O-CB 3.42Å; M297-L301 PolarHBondContact O-N 2.99Å; M297-Y377 HydrophobicContact CB-CD2 4.47Å; M297-Y377 HydrophobicContact CB-CE2 3.68Å; M297-I380 HydrophobicContact CB-CG2 4.02Å; M297-I380 HydrophobicContact CG-CG2 4.34Å; M297-I380 HydrophobicContact SD-CG2 3.63Å; M297-M381 HydrophobicContact CB-CG 4.06Å; M297-M381 HydrophobicContact CG-CG 3.96Å; M297-N386 HydrophobicContact CE-CB 3.84Å; M297-N386 VanDerWaalsContact CE-CG 3.47Å; M297-N386 HydrophobicContact SD-CB 3.6Å; M297-N386 PolarHBondContact SD-ND2 2.91Å
298	A	98.8	Very high	98.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-70.7	-37.3	177.5	0	0	0	0	0	111.2	G294 F295 H296 L301 Q302 F309 I338 V346 I349 Y377	G294-A298 VanDerWaalsContact O-CB 3.27Å; G294-A298 WeakPolarHBondContact O-CB 3.44Å; G294-A298 PolarHBondContact O-N 3.44Å; F295-A298 WeakPolarHBondContact O-CB 3.39Å; F295-A298 PolarHBondContact O-N 3.07Å; F295-A298 VanDerWaalsContact O-N 3.12Å; H296-A298 VanDerWaalsContact C-N 3.3Å; H296-A298 PolarHBondContact O-N 2.86Å; A298-L301 PolarHBondContact O-N 3.27Å; A298-Q302 WeakPolarHBondContact O-CB 3.49Å; A298-Q302 PolarHBondContact O-N 2.73Å; A298-F309 HydrophobicContact CB-CE2 4.21Å; A298-F309 VanDerWaalsContact O-CD2 3.28Å; A298-F309 WeakPolarHBondContact O-CD2 3.5Å; A298-F309 WeakPolarHBondContact O-CE2 3.47Å; A298-I338 HydrophobicContact CB-CD1 4Å; A298-I338 HydrophobicContact CB-CG2 4.25Å; A298-V346 HydrophobicContact CB-CG1 4.43Å; A298-V346 HydrophobicContact CB-CG2 3.85Å; A298-I349 HydrophobicContact CB-CD1 4.47Å; A298-Y377 HydrophobicContact CB-CE2 4.22Å
299	E	98.1	Very high	98.5	Very high	54 Å²	54	33.4 Å²	33.4	25%	0.252	16%	0.157	S	C	.	.	H	α-helix	trans	-67	-37.2	169.1	-67.9	-167.9	174.3	0	0	112.7	Y175 F295 H296 L301 Q302 R303	Y175-E299 HydrophobicContact CE2-CG 4.43Å; Y175-E299 WeakPolarHBondContact CE2-OE1 3.26Å; Y175-E299 WeakPolarHBondContact CE2-OE2 3.37Å; Y175-E299 VanDerWaalsContact CZ-OE1 3.31Å; Y175-E299 PolarHBondContact OH-OE1 3Å; F295-E299 PolarHBondContact O-N 3.33Å; H296-E299 PolarHBondContact O-N 3.15Å; E299-L301 VanDerWaalsContact C-N 3.34Å; E299-Q302 PolarHBondContact O-N 2.83Å; E299-R303 WeakPolarHBondContact O-CG 3.35Å; E299-R303 PolarHBondContact O-N 2.95Å; E299-R303 IonicContact OE2-NH1 3.62Å; E299-R303 PolarHBondContact OE2-NH1 2.95Å
300	Q	98.4	Very high	98.6	Very high	28 Å²	28	39.7 Å²	39.7	13%	0.131	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-44.9	172.9	-176.8	164.2	31.2	0	0	110.8	H296 M297 Q302 R303 E304 I380 N386	H296-Q300 PolarHBondContact O-N 3.3Å; M297-Q300 PolarHBondContact O-N 2.81Å; Q300-Q302 PolarHBondContact O-N 2.83Å; Q300-R303 PolarHBondContact O-N 2.93Å; Q300-E304 HydrophobicContact CG-CG 4.31Å; Q300-E304 WeakPolarHBondContact CG-OE1 3.46Å; Q300-E304 PolarHBondContact NE2-OE1 2.86Å; Q300-E304 WeakPolarHBondContact O-CB 3.36Å; Q300-E304 WeakPolarHBondContact O-CG 3.36Å; Q300-E304 PolarHBondContact O-N 2.82Å; Q300-I380 HydrophobicContact CB-CG2 4.23Å; Q300-I380 HydrophobicContact CG-CD1 4.41Å; Q300-I380 HydrophobicContact CG-CG2 4.13Å; Q300-N386 PolarHBondContact OE1-ND2 3.32Å
301	L	98.8	Very high	98.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.1	-43.5	172.6	-175.2	74.3	0	0	0	111.6	M297 A298 E299 R303 E304 D305 A308 F309 L312 I338 A376 Y377 I380	M297-L301 WeakPolarHBondContact O-CB 3.42Å; M297-L301 PolarHBondContact O-N 2.99Å; A298-L301 PolarHBondContact O-N 3.27Å; E299-L301 VanDerWaalsContact C-N 3.34Å; L301-R303 VanDerWaalsContact C-N 3.27Å; L301-R303 PolarHBondContact O-N 3.26Å; L301-E304 PolarHBondContact O-N 3.29Å; L301-D305 HydrophobicContact CD1-CB 4.33Å; L301-D305 CarbonylContact O-C 3.56Å; L301-D305 WeakPolarHBondContact O-CA 3.38Å; L301-D305 PolarHBondContact O-N 2.76Å; L301-D305 VanDerWaalsContact O-O 3.07Å; L301-A308 HydrophobicContact CD1-CB 3.86Å; L301-A308 HydrophobicContact CD2-CB 4.43Å; L301-A308 HydrophobicContact CG-CB 4.32Å; L301-F309 HydrophobicContact CD2-CB 4.18Å; L301-F309 HydrophobicContact CD2-CD2 4.44Å; L301-F309 HydrophobicContact CG-CB 4.21Å; L301-L312 HydrophobicContact CD2-CD1 3.83Å; L301-I338 HydrophobicContact CD2-CD1 4.08Å; L301-A376 HydrophobicContact CD1-CB 4.08Å; L301-Y377 HydrophobicContact CB-CD2 4.29Å; L301-Y377 HydrophobicContact CD2-CD2 3.99Å; L301-Y377 HydrophobicContact CD2-CG 4.21Å; L301-I380 HydrophobicContact CB-CD1 3.92Å; L301-I380 HydrophobicContact CD1-CD1 3.72Å; L301-I380 HydrophobicContact CG-CD1 4.46Å
302	Q	98.4	Very high	98.6	Very high	89 Å²	89	39.8 Å²	39.8	42%	0.416	18%	0.181	S	C	.	.	H	α-helix	trans	-61.3	-34.9	178.2	-166.1	-176.7	35.1	0	0	112.6	A298 E299 Q300 P306 F309	A298-Q302 WeakPolarHBondContact O-CB 3.49Å; A298-Q302 PolarHBondContact O-N 2.73Å; E299-Q302 PolarHBondContact O-N 2.83Å; Q300-Q302 PolarHBondContact O-N 2.83Å; Q302-P306 WeakPolarHBondContact O-CG 3.19Å; Q302-F309 HydrophobicContact CB-CB 4.22Å; Q302-F309 HydrophobicContact CB-CD1 4.16Å; Q302-F309 HydrophobicContact CB-CD2 3.7Å; Q302-F309 HydrophobicContact CB-CE1 4.48Å; Q302-F309 HydrophobicContact CB-CE2 4.05Å; Q302-F309 HydrophobicContact CB-CG 3.76Å; Q302-F309 HydrophobicContact CB-CZ 4.42Å; Q302-F309 HydrophobicContact CG-CB 4.45Å; Q302-F309 HydrophobicContact CG-CD1 3.77Å; Q302-F309 HydrophobicContact CG-CD2 4.24Å; Q302-F309 HydrophobicContact CG-CE1 4.01Å; Q302-F309 HydrophobicContact CG-CE2 4.44Å; Q302-F309 HydrophobicContact CG-CG 3.89Å; Q302-F309 HydrophobicContact CG-CZ 4.33Å
303	R	98.3	Very high	98.6	Very high	147 Å²	147	40.3 Å²	40.3	56%	0.555	19%	0.185	S	C	*	.	H	α-helix	trans	-77.1	-42.6	176.5	-69.4	-176.5	-64.4	-102.9	1.6	113	E299 Q300 L301	E299-R303 WeakPolarHBondContact O-CG 3.35Å; E299-R303 PolarHBondContact O-N 2.95Å; E299-R303 IonicContact OE2-NH1 3.62Å; E299-R303 PolarHBondContact OE2-NH1 2.95Å; Q300-R303 PolarHBondContact O-N 2.93Å; L301-R303 VanDerWaalsContact C-N 3.27Å; L301-R303 PolarHBondContact O-N 3.26Å
304	E	98.5	Very high	98.6	Very high	98 Å²	98	43.6 Å²	43.6	46%	0.458	21%	0.208	S	C	.	.	H	α-helix	trans	-84.7	-35.9	-174.2	-68.1	-179.4	-161	0	0	113.2	Q300 L301 R383	Q300-E304 HydrophobicContact CG-CG 4.31Å; Q300-E304 WeakPolarHBondContact CG-OE1 3.46Å; Q300-E304 PolarHBondContact NE2-OE1 2.86Å; Q300-E304 WeakPolarHBondContact O-CB 3.36Å; Q300-E304 WeakPolarHBondContact O-CG 3.36Å; Q300-E304 PolarHBondContact O-N 2.82Å; L301-E304 PolarHBondContact O-N 3.29Å; E304-R383 VanDerWaalsContact CD-NH1 3.31Å; E304-R383 IonicContact OE1-CZ 3.89Å; E304-R383 IonicContact OE1-NH1 3.28Å; E304-R383 PolarHBondContact OE1-NH1 3.38Å; E304-R383 IonicContact OE2-CZ 2.35Å; E304-R383 VanDerWaalsContact OE2-CZ 3.29Å; E304-R383 IonicContact OE2-NH1 3.42Å; E304-R383 PolarHBondContact OE2-NH1 3.14Å; E304-R383 IonicContact OE2-NH2 3.32Å; E304-R383 PolarHBondContact OE2-NH2 3.09Å
305	D	98.6	Very high	98.5	Very high	36 Å²	36	45 Å²	45	19%	0.193	22%	0.215	C	C	.	.			trans	-146.1	80.2	-179.1	-169.8	-21.9	0	0	0	111.2	L301 E307 A308 F309 R372	L301-D305 HydrophobicContact CD1-CB 4.33Å; L301-D305 CarbonylContact O-C 3.56Å; L301-D305 WeakPolarHBondContact O-CA 3.38Å; L301-D305 PolarHBondContact O-N 2.76Å; L301-D305 VanDerWaalsContact O-O 3.07Å; D305-E307 PolarHBondContact O-N 3.19Å; D305-E307 VanDerWaalsContact O-N 3.08Å; D305-E307 PolarHBondContact OD1-N 2.83Å; D305-A308 HydrophobicContact CB-CB 3.93Å; D305-A308 PolarHBondContact O-N 2.83Å; D305-A308 WeakPolarHBondContact OD1-CB 3.26Å; D305-A308 PolarHBondContact OD1-N 3.25Å; D305-A308 WeakPolarHBondContact OD2-CB 3.35Å; D305-F309 PolarHBondContact O-N 3.48Å; D305-R372 IonicContact OD1-NH1 3.89Å; D305-R372 IonicContact OD1-NH2 2.77Å; D305-R372 PolarHBondContact OD1-NH2 2.75Å; D305-R372 IonicContact OD2-CZ 3.63Å; D305-R372 IonicContact OD2-NH1 3.49Å; D305-R372 PolarHBondContact OD2-NH1 2.81Å; D305-R372 IonicContact OD2-NH2 2.62Å; D305-R372 PolarHBondContact OD2-NH2 3.19Å
306	P	98.4	Very high	98.5	Very high	64 Å²	64	48.1 Å²	48.1	42%	0.416	23%	0.229	S	C	.	.	H	α-helix	trans	-58.9	-22.6	179	-21	28.5	0	0	0	113.8	Q302 R310	Q302-P306 WeakPolarHBondContact O-CG 3.19Å; P306-R310 VanDerWaalsContact O-CG 3.31Å; P306-R310 WeakPolarHBondContact O-CG 3.33Å; P306-R310 PolarHBondContact O-N 3.4Å; P306-R310 VanDerWaalsContact O-N 3.12Å; P306-R310 PolarHBondContact O-NH1 2.76Å
307	E	98.6	Very high	98.4	Very high	96 Å²	96	46.3 Å²	46.3	45%	0.449	22%	0.221	S	C	.	.	H	α-helix	trans	-76	-46.7	177.3	-168.7	-163.1	107.8	0	0	111	D305 F309 R310 T311 R372	D305-E307 PolarHBondContact O-N 3.19Å; D305-E307 VanDerWaalsContact O-N 3.08Å; D305-E307 PolarHBondContact OD1-N 2.83Å; E307-F309 VanDerWaalsContact C-N 3.3Å; E307-F309 PolarHBondContact O-N 2.68Å; E307-R310 PolarHBondContact O-N 2.96Å; E307-T311 PolarHBondContact O-N 3.31Å; E307-T311 PolarHBondContact O-OG1 2.96Å; E307-R372 IonicContact OE1-CZ 2.66Å; E307-R372 IonicContact OE1-NE 3.85Å; E307-R372 IonicContact OE1-NH2 2.91Å; E307-R372 PolarHBondContact OE1-NH2 2.84Å
308	A	98.8	Very high	98.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-43	173.8	0	0	0	0	0	111.4	L301 D305 R310 T311 L312 A373	L301-A308 HydrophobicContact CD1-CB 3.86Å; L301-A308 HydrophobicContact CD2-CB 4.43Å; L301-A308 HydrophobicContact CG-CB 4.32Å; D305-A308 HydrophobicContact CB-CB 3.93Å; D305-A308 PolarHBondContact O-N 2.83Å; D305-A308 WeakPolarHBondContact OD1-CB 3.26Å; D305-A308 PolarHBondContact OD1-N 3.25Å; D305-A308 WeakPolarHBondContact OD2-CB 3.35Å; A308-R310 PolarHBondContact O-N 3.45Å; A308-T311 WeakPolarHBondContact O-CB 3.14Å; A308-T311 PolarHBondContact O-N 2.88Å; A308-L312 WeakPolarHBondContact O-CG 3.49Å; A308-L312 PolarHBondContact O-N 3.4Å; A308-A373 HydrophobicContact CB-CB 3.63Å
309	F	98.8	Very high	98.4	Very high	14 Å²	14	47.4 Å²	47.4	6%	0.061	23%	0.227	C	C	.	.	H	α-helix	trans	-58.5	-48.5	173.9	-177.1	-92.3	0	0	0	111.9	A298 L301 Q302 D305 E307 T311 L312 T313 I338 V340 V346	A298-F309 HydrophobicContact CB-CE2 4.21Å; A298-F309 VanDerWaalsContact O-CD2 3.28Å; A298-F309 WeakPolarHBondContact O-CD2 3.5Å; A298-F309 WeakPolarHBondContact O-CE2 3.47Å; L301-F309 HydrophobicContact CD2-CB 4.18Å; L301-F309 HydrophobicContact CD2-CD2 4.44Å; L301-F309 HydrophobicContact CG-CB 4.21Å; Q302-F309 HydrophobicContact CB-CB 4.22Å; Q302-F309 HydrophobicContact CB-CD1 4.16Å; Q302-F309 HydrophobicContact CB-CD2 3.7Å; Q302-F309 HydrophobicContact CB-CE1 4.48Å; Q302-F309 HydrophobicContact CB-CE2 4.05Å; Q302-F309 HydrophobicContact CB-CG 3.76Å; Q302-F309 HydrophobicContact CB-CZ 4.42Å; Q302-F309 HydrophobicContact CG-CB 4.45Å; Q302-F309 HydrophobicContact CG-CD1 3.77Å; Q302-F309 HydrophobicContact CG-CD2 4.24Å; Q302-F309 HydrophobicContact CG-CE1 4.01Å; Q302-F309 HydrophobicContact CG-CE2 4.44Å; Q302-F309 HydrophobicContact CG-CG 3.89Å; Q302-F309 HydrophobicContact CG-CZ 4.33Å; D305-F309 PolarHBondContact O-N 3.48Å; E307-F309 VanDerWaalsContact C-N 3.3Å; E307-F309 PolarHBondContact O-N 2.68Å; F309-T311 VanDerWaalsContact C-N 3.31Å; F309-T311 PolarHBondContact O-N 3.35Å; F309-L312 PolarHBondContact O-N 2.97Å; F309-T313 HydrophobicContact CD1-CG2 4.14Å; F309-T313 HydrophobicContact CD2-CG2 4.45Å; F309-T313 HydrophobicContact CE1-CG2 3.76Å; F309-T313 HydrophobicContact CE2-CG2 4.11Å; F309-T313 HydrophobicContact CG-CG2 4.48Å; F309-T313 HydrophobicContact CZ-CG2 3.74Å; F309-T313 WeakPolarHBondContact O-CB 3.29Å; F309-T313 WeakPolarHBondContact O-CG2 3.4Å; F309-T313 PolarHBondContact O-N 2.93Å; F309-T313 PolarHBondContact O-OG1 3.07Å; F309-I338 HydrophobicContact CD2-CD1 4.26Å; F309-I338 HydrophobicContact CE2-CD1 4.45Å; F309-I338 HydrophobicContact CE2-CG2 4.31Å; F309-V340 HydrophobicContact CZ-CG1 4.21Å; F309-V346 HydrophobicContact CE2-CG2 4.09Å; F309-V346 HydrophobicContact CZ-CG2 4.19Å
310	R	98.6	Very high	98.4	Very high	138 Å²	138	46.6 Å²	46.6	52%	0.521	23%	0.226	S	C	.	.	H	α-helix	trans	-58.4	-41.3	174.7	-77.2	-173.3	-53.7	-91.6	2.4	112.3	P306 E307 A308 T313 S314	P306-R310 VanDerWaalsContact O-CG 3.31Å; P306-R310 WeakPolarHBondContact O-CG 3.33Å; P306-R310 PolarHBondContact O-N 3.4Å; P306-R310 VanDerWaalsContact O-N 3.12Å; P306-R310 PolarHBondContact O-NH1 2.76Å; E307-R310 PolarHBondContact O-N 2.96Å; A308-R310 PolarHBondContact O-N 3.45Å; R310-T313 WeakPolarHBondContact CA-OG1 3.33Å; R310-T313 PolarHBondContact O-N 2.93Å; R310-T313 PolarHBondContact O-OG1 2.83Å; R310-S314 WeakPolarHBondContact O-CB 3.48Å; R310-S314 PolarHBondContact O-N 3.47Å; R310-S314 PolarHBondContact O-OG 2.89Å
311	T	98.8	Very high	98.4	Very high	20 Å²	20	46.1 Å²	46.1	12%	0.123	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-49.2	177.3	-58.4	0	0	0	0	111.4	E307 A308 F309 T313 S314 L315 F370 A373	E307-T311 PolarHBondContact O-N 3.31Å; E307-T311 PolarHBondContact O-OG1 2.96Å; A308-T311 WeakPolarHBondContact O-CB 3.14Å; A308-T311 PolarHBondContact O-N 2.88Å; F309-T311 VanDerWaalsContact C-N 3.31Å; F309-T311 PolarHBondContact O-N 3.35Å; T311-T313 VanDerWaalsContact C-N 3.32Å; T311-T313 PolarHBondContact O-N 3.45Å; T311-S314 PolarHBondContact O-N 3.12Å; T311-L315 HydrophobicContact CG2-CD1 3.63Å; T311-L315 HydrophobicContact CG2-CG 4.2Å; T311-L315 WeakPolarHBondContact O-CB 3.33Å; T311-L315 WeakPolarHBondContact O-CG 3.44Å; T311-L315 PolarHBondContact O-N 3Å; T311-F370 HydrophobicContact CG2-CB 4.46Å; T311-A373 HydrophobicContact CG2-CB 3.82Å
312	L	98.8	Very high	98.3	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-74	-19.4	-177.3	-63	-173.7	0	0	0	114.5	L301 A308 F309 I337 I338 F370 A373 L374 Y377	L301-L312 HydrophobicContact CD2-CD1 3.83Å; A308-L312 WeakPolarHBondContact O-CG 3.49Å; A308-L312 PolarHBondContact O-N 3.4Å; F309-L312 PolarHBondContact O-N 2.97Å; L312-I337 HydrophobicContact CB-CB 4.2Å; L312-I337 HydrophobicContact CD1-CG2 4.35Å; L312-I337 HydrophobicContact CD2-CB 4.16Å; L312-I337 HydrophobicContact CD2-CG1 4.09Å; L312-I337 HydrophobicContact CD2-CG2 4.46Å; L312-I337 PolarHBondContact O-N 2.93Å; L312-I338 HydrophobicContact CB-CD1 3.9Å; L312-I338 HydrophobicContact CB-CG1 4.07Å; L312-I338 HydrophobicContact CD1-CD1 4.16Å; L312-I338 PolarHBondContact O-N 3.12Å; L312-I338 VanDerWaalsContact O-N 3.1Å; L312-F370 HydrophobicContact CD2-CD2 4.26Å; L312-F370 HydrophobicContact CD2-CE2 4.11Å; L312-A373 HydrophobicContact CD2-CB 4.03Å; L312-A373 HydrophobicContact CG-CB 4.01Å; L312-L374 HydrophobicContact CD2-CB 4.17Å; L312-L374 HydrophobicContact CD2-CD1 4.42Å; L312-Y377 HydrophobicContact CD1-CD1 4.15Å; L312-Y377 HydrophobicContact CD1-CG 4.04Å
313	T	98.6	Very high	98.1	Very high	11 Å²	11	47.2 Å²	47.2	7%	0.067	24%	0.242	C	C	.	.	H	α-helix	trans	-93.2	-12.1	174.9	51	0	0	0	0	114.5	F309 R310 T311 R336 I338 V340	F309-T313 HydrophobicContact CD1-CG2 4.14Å; F309-T313 HydrophobicContact CD2-CG2 4.45Å; F309-T313 HydrophobicContact CE1-CG2 3.76Å; F309-T313 HydrophobicContact CE2-CG2 4.11Å; F309-T313 HydrophobicContact CG-CG2 4.48Å; F309-T313 HydrophobicContact CZ-CG2 3.74Å; F309-T313 WeakPolarHBondContact O-CB 3.29Å; F309-T313 WeakPolarHBondContact O-CG2 3.4Å; F309-T313 PolarHBondContact O-N 2.93Å; F309-T313 PolarHBondContact O-OG1 3.07Å; R310-T313 WeakPolarHBondContact CA-OG1 3.33Å; R310-T313 PolarHBondContact O-N 2.93Å; R310-T313 PolarHBondContact O-OG1 2.83Å; T311-T313 VanDerWaalsContact C-N 3.32Å; T311-T313 PolarHBondContact O-N 3.45Å; T313-R336 VanDerWaalsContact O-CD 3.25Å; T313-R336 WeakPolarHBondContact O-CD 3.34Å; T313-R336 PolarHBondContact O-NH1 2.92Å; T313-R336 VanDerWaalsContact O-NH1 3.09Å; T313-I338 WeakPolarHBondContact CA-O 3.45Å; T313-I338 HydrophobicContact CG2-CB 3.75Å; T313-I338 HydrophobicContact CG2-CG2 3.73Å; T313-V340 HydrophobicContact CG2-CG1 3.71Å
314	S	98	Very high	97.9	Very high	70 Å²	70	44.1 Å²	44.1	49%	0.49	24%	0.24	S	C	.	.	H	α-helix	trans	-110.8	-38.9	-177.4	-53.6	0	0	0	0	113.6	R310 T311	R310-S314 WeakPolarHBondContact O-CB 3.48Å; R310-S314 PolarHBondContact O-N 3.47Å; R310-S314 PolarHBondContact O-OG 2.89Å; T311-S314 PolarHBondContact O-N 3.12Å
315	L	98.1	Very high	97.7	Very high	28 Å²	28	42.4 Å²	42.4	15%	0.147	23%	0.234	C	C	.	.			trans	-82.1	134	-177.1	-59.9	-171.8	0	0	0	110.7	T311 R336 L362 Q366 F370	T311-L315 HydrophobicContact CG2-CD1 3.63Å; T311-L315 HydrophobicContact CG2-CG 4.2Å; T311-L315 WeakPolarHBondContact O-CB 3.33Å; T311-L315 WeakPolarHBondContact O-CG 3.44Å; T311-L315 PolarHBondContact O-N 3Å; L315-R336 WeakPolarHBondContact O-CA 3.35Å; L315-L362 HydrophobicContact CB-CD2 4.11Å; L315-L362 HydrophobicContact CD1-CD1 4.11Å; L315-L362 HydrophobicContact CD1-CD2 4.08Å; L315-L362 HydrophobicContact CD2-CD2 4.15Å; L315-L362 HydrophobicContact CG-CD2 4.34Å; L315-Q366 HydrophobicContact CD1-CB 4.34Å; L315-Q366 VanDerWaalsContact CD2-OE1 3.25Å; L315-F370 HydrophobicContact CD1-CB 4.06Å; L315-F370 HydrophobicContact CD1-CD2 4.38Å
316	H	97.8	Very high	97.6	Very high	77 Å²	77	46.9 Å²	46.9	36%	0.356	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	140.2	172.8	-57.9	78.3	0	0	0	109.2	K334 N335 R336	H316-K334 HydrophobicContact CB-CD 3.94Å; H316-K334 HydrophobicContact CB-CG 3.87Å; H316-N335 WeakPolarHBondContact CA-O 3.21Å; H316-R336 PolarHBondContact CE1-NE 2.91Å; H316-R336 PolarHBondContact NE2-NE 3.25Å; H316-R336 VanDerWaalsContact NE2-NE 3.18Å
317	V	96.9	Very high	97.5	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.2	-174.6	-175.3	0	0	0	0	108.3	F319 K334 N335 I337 R356 F370	V317-F319 HydrophobicContact CB-CE2 4.16Å; V317-F319 HydrophobicContact CG1-CE2 4.36Å; V317-F319 WeakPolarHBondContact O-CD2 3.35Å; V317-K334 WeakPolarHBondContact O-CA 3.39Å; V317-N335 PolarHBondContact N-O 3.38Å; V317-N335 PolarHBondContact O-N 3.12Å; V317-I337 HydrophobicContact CB-CD1 4.24Å; V317-I337 HydrophobicContact CG2-CD1 3.95Å; V317-I337 HydrophobicContact CG2-CG1 4.02Å; V317-R356 HydrophobicContact CG1-CG 3.69Å; V317-F370 HydrophobicContact CB-CZ 4.47Å; V317-F370 HydrophobicContact CG1-CZ 4.09Å; V317-F370 HydrophobicContact CG2-CD2 4.34Å; V317-F370 HydrophobicContact CG2-CE2 3.38Å; V317-F370 HydrophobicContact CG2-CZ 3.48Å; V317-F370 VanDerWaalsContact CG2-CZ 3.48Å
318	D	98.5	Very high	97.4	Very high	23 Å²	23	47.8 Å²	47.8	12%	0.123	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	137	179.4	-53	-93.7	0	0	0	110.9	S333 K334 D357 D361	D318-S333 CarbonylContact C-O 3.55Å; D318-S333 WeakPolarHBondContact CA-O 3.41Å; D318-K334 WeakPolarHBondContact OD1-CE 3.32Å; D318-K334 WeakPolarHBondContact OD1-CG 3.49Å; D318-K334 VanDerWaalsContact OD2-CE 3.29Å; D318-K334 WeakPolarHBondContact OD2-CE 3.25Å; D318-D357 HydrophobicContact CB-CB 4.12Å; D318-D357 PolarHBondContact O-N 3.36Å; D318-D361 PolarHBondContact OD2-N 3.2Å
319	F	98.6	Very high	97.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.8	175.6	-66.4	-91.8	0	0	0	110.4	P266 A267 V317 Q332 S333 N335 I337 N350 T355 R356	P266-F319 HydrophobicContact CB-CD1 3.83Å; P266-F319 HydrophobicContact CB-CD2 4.21Å; P266-F319 HydrophobicContact CB-CE1 3.91Å; P266-F319 HydrophobicContact CB-CE2 4.28Å; P266-F319 HydrophobicContact CB-CG 3.99Å; P266-F319 HydrophobicContact CB-CZ 4.13Å; P266-F319 HydrophobicContact CG-CD1 3.62Å; P266-F319 HydrophobicContact CG-CE1 3.78Å; P266-F319 HydrophobicContact CG-CG 4.21Å; P266-F319 HydrophobicContact CG-CZ 4.46Å; A267-F319 HydrophobicContact CB-CB 4.23Å; V317-F319 HydrophobicContact CB-CE2 4.16Å; V317-F319 HydrophobicContact CG1-CE2 4.36Å; V317-F319 WeakPolarHBondContact O-CD2 3.35Å; F319-Q332 CarbonylContact O-C 3.6Å; F319-Q332 WeakPolarHBondContact O-CA 3.48Å; F319-Q332 PolarHBondContact O-OE1 2.77Å; F319-S333 PolarHBondContact N-O 2.7Å; F319-S333 PolarHBondContact O-N 3.41Å; F319-N335 HydrophobicContact CD2-CB 4.35Å; F319-N335 HydrophobicContact CE2-CB 4.12Å; F319-I337 HydrophobicContact CE2-CD1 4.45Å; F319-I337 HydrophobicContact CZ-CD1 3.85Å; F319-N350 WeakPolarHBondContact CZ-O 3.26Å; F319-T355 CarbonylContact C-O 3.51Å; F319-T355 WeakPolarHBondContact CA-O 3.3Å; F319-T355 WeakPolarHBondContact CB-O 3.48Å; F319-R356 HydrophobicContact CD1-CB 4.04Å; F319-R356 HydrophobicContact CE1-CB 3.95Å; F319-R356 HydrophobicContact CE1-CG 4.39Å
320	T	98.6	Very high	97.3	Very high	37 Å²	37	55.1 Å²	55.1	23%	0.227	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.1	-174.5	-167.4	0	0	0	0	111.9	L331 Q332 T355 D357	T320-L331 WeakPolarHBondContact CA-O 3.44Å; T320-L331 PolarHBondContact OG1-O 2.83Å; T320-Q332 VanDerWaalsContact CB-NE2 3.33Å; T320-Q332 PolarHBondContact OG1-NE2 2.93Å; T320-T355 PolarHBondContact N-O 2.97Å; T320-T355 WeakPolarHBondContact O-CA 3.43Å; T320-T355 VanDerWaalsContact O-CB 3.27Å; T320-T355 WeakPolarHBondContact O-CB 3.11Å; T320-D357 WeakPolarHBondContact CB-OD2 3.26Å; T320-D357 HydrophobicContact CG2-CB 3.87Å
321	D	97.8	Very high	97.3	Very high	19 Å²	19	49.6 Å²	49.6	10%	0.102	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	125.4	166.7	-166.1	6.6	0	0	0	108.5	Y237 A267 F329 L331	Y237-D321 WeakPolarHBondContact CE2-OD2 3.5Å; Y237-D321 PolarHBondContact OH-OD1 2.89Å; Y237-D321 PolarHBondContact OH-OD2 2.95Å; A267-D321 HydrophobicContact CB-CB 3.92Å; D321-F329 HydrophobicContact CB-CE2 4.28Å; D321-L331 HydrophobicContact CB-CB 4.48Å; D321-L331 HydrophobicContact CB-CD1 4.49Å; D321-L331 PolarHBondContact N-O 2.97Å; D321-L331 WeakPolarHBondContact O-CB 3.13Å; D321-L331 PolarHBondContact O-N 3.03Å
322	T	96.7	Very high	97.3	Very high	85 Å²	85	53 Å²	53	52%	0.521	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	126.8	-172.3	-62.2	0	0	0	0	110.4	F329 M330	T322-F329 WeakPolarHBondContact CA-O 3.42Å; T322-M330 HydrophobicContact CG2-CB 4.06Å; T322-M330 HydrophobicContact CG2-CG 4.17Å
323	G	94.9	Very high	97.3	Very high	26 Å²	26	53.1 Å²	53.1	27%	0.268	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	168.9	-156.3	-177.7	0	0	0	0	0	113.4	F329	G323-F329 PolarHBondContact N-O 3.31Å; G323-F329 WeakPolarHBondContact O-CD1 3.42Å; G323-F329 PolarHBondContact O-N 3.3Å
324	T	93.6	Very high	97.2	Very high	82 Å²	82	55.8 Å²	55.8	50%	0.503	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	133.1	178.8	-52.5	0	0	0	0	108.5	N250 D328	N250-T324 PolarHBondContact ND2-O 3.28Å; N250-T324 VanDerWaalsContact ND2-O 3.08Å; T324-D328 WeakPolarHBondContact CB-OD1 3.18Å; T324-D328 WeakPolarHBondContact CG2-OD1 3.17Å; T324-D328 PolarHBondContact OG1-OD1 2.98Å
325	D	94.4	Very high	97.2	Very high	63 Å²	63	53 Å²	53	34%	0.337	28%	0.28	S	S	.	.	S	Bend	trans	-148.4	-91.1	168.4	-157.5	-72.5	0	0	0	110.1	Y237 K246 N250 C327 F329	Y237-D325 HydrophobicContact CD1-CB 3.94Å; Y237-D325 HydrophobicContact CE1-CB 4.46Å; K246-D325 IonicContact NZ-OD2 2.88Å; N250-D325 PolarHBondContact ND2-OD2 2.83Å; D325-C327 VanDerWaalsContact C-N 3.35Å; D325-C327 PolarHBondContact N-O 3.29Å; D325-C327 VanDerWaalsContact N-O 3.09Å; D325-F329 HydrophobicContact CB-CE1 4.27Å
326	Y	95.3	Very high	97.2	Very high	130 Å²	130	55.4 Å²	55.4	51%	0.51	29%	0.287	S	S	.	.	S	Bend	trans	-69.3	-34	172.4	179.2	-103.8	0	0	0	112.5	L234 F236	L234-Y326 HydrophobicContact CD1-CD1 4.13Å; L234-Y326 HydrophobicContact CD1-CE1 3.87Å; L234-Y326 HydrophobicContact CD1-CE2 4.49Å; L234-Y326 HydrophobicContact CD2-CE1 4.08Å; L234-Y326 HydrophobicContact CG-CE1 4.45Å; F236-Y326 VanDerWaalsContact O-CB 3.26Å; F236-Y326 WeakPolarHBondContact O-CB 3.47Å; F236-Y326 PolarHBondContact O-N 3.13Å
327	C	96.3	Very high	97.3	Very high	57 Å²	57	51.7 Å²	51.7	39%	0.385	27%	0.27	S	S	.	.	S	Bend	trans	-152	-179.4	165.4	53.2	0	0	0	0	108.9	F236 D325 F329	F236-C327 VanDerWaalsContact CD1-SG 3.56Å; D325-C327 VanDerWaalsContact C-N 3.35Å; D325-C327 PolarHBondContact N-O 3.29Å; D325-C327 VanDerWaalsContact N-O 3.09Å; C327-F329 WeakPolarHBondContact O-CD1 3.31Å
328	D	97.8	Very high	97.4	Very high	122 Å²	122	51.7 Å²	51.7	65%	0.652	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	140.3	172.2	-60	-48.2	0	0	0	111	T324	T324-D328 WeakPolarHBondContact CB-OD1 3.18Å; T324-D328 WeakPolarHBondContact CG2-OD1 3.17Å; T324-D328 PolarHBondContact OG1-OD1 2.98Å
329	F	97.8	Very high	97.4	Very high	14 Å²	14	51.7 Å²	51.7	6%	0.061	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	150.5	-178.7	61.6	-92.2	0	0	0	113.6	F236 Y237 D321 T322 G323 D325 C327 L331	F236-F329 HydrophobicContact CB-CB 4.02Å; F236-F329 HydrophobicContact CB-CD1 3.53Å; F236-F329 HydrophobicContact CB-CE1 4.06Å; F236-F329 HydrophobicContact CB-CG 3.81Å; F236-F329 HydrophobicContact CD1-CB 3.46Å; F236-F329 VanDerWaalsContact CD1-CB 3.46Å; F236-F329 HydrophobicContact CD1-CD1 4.34Å; F236-F329 HydrophobicContact CD1-CG 4.2Å; F236-F329 HydrophobicContact CD2-CB 4.4Å; F236-F329 HydrophobicContact CE1-CB 3.95Å; F236-F329 HydrophobicContact CG-CB 3.7Å; F236-F329 HydrophobicContact CG-CD1 4.19Å; F236-F329 HydrophobicContact CG-CG 4.04Å; Y237-F329 HydrophobicContact CE1-CZ 4.25Å; Y237-F329 HydrophobicContact CE2-CZ 4.49Å; Y237-F329 AromaticContact CZ-CZ 3.97Å; D321-F329 HydrophobicContact CB-CE2 4.28Å; T322-F329 WeakPolarHBondContact CA-O 3.42Å; G323-F329 PolarHBondContact N-O 3.31Å; G323-F329 WeakPolarHBondContact O-CD1 3.42Å; G323-F329 PolarHBondContact O-N 3.3Å; D325-F329 HydrophobicContact CB-CE1 4.27Å; C327-F329 WeakPolarHBondContact O-CD1 3.31Å; F329-L331 HydrophobicContact CB-CG 4.38Å; F329-L331 HydrophobicContact CD2-CD1 4.23Å; F329-L331 HydrophobicContact CD2-CG 4.18Å
330	M	97.9	Very high	97.3	Very high	154 Å²	154	53.6 Å²	53.6	76%	0.759	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.4	95.7	173.6	175.3	167.4	45.9	0	0	106.9	T322	T322-M330 HydrophobicContact CG2-CB 4.06Å; T322-M330 HydrophobicContact CG2-CG 4.17Å
331	L	98.2	Very high	97.2	Very high	22 Å²	22	54.8 Å²	54.8	12%	0.115	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	139.8	-170.8	-55.6	177.7	0	0	0	110.3	F236 Y265 A267 L268 T320 D321 F329	F236-L331 HydrophobicContact CD2-CD1 3.75Å; F236-L331 HydrophobicContact CD2-CD2 4.06Å; F236-L331 HydrophobicContact CD2-CG 4.41Å; F236-L331 HydrophobicContact CE2-CD1 4.02Å; F236-L331 HydrophobicContact CE2-CD2 3.53Å; F236-L331 HydrophobicContact CE2-CG 4.35Å; F236-L331 HydrophobicContact CZ-CD2 3.92Å; Y265-L331 HydrophobicContact CE1-CD1 3.58Å; A267-L331 HydrophobicContact CB-CB 4.39Å; L268-L331 HydrophobicContact CD2-CD1 4.21Å; T320-L331 WeakPolarHBondContact CA-O 3.44Å; T320-L331 PolarHBondContact OG1-O 2.83Å; D321-L331 HydrophobicContact CB-CB 4.48Å; D321-L331 HydrophobicContact CB-CD1 4.49Å; D321-L331 PolarHBondContact N-O 2.97Å; D321-L331 WeakPolarHBondContact O-CB 3.13Å; D321-L331 PolarHBondContact O-N 3.03Å; F329-L331 HydrophobicContact CB-CG 4.38Å; F329-L331 HydrophobicContact CD2-CD1 4.23Å; F329-L331 HydrophobicContact CD2-CG 4.18Å
332	Q	98.3	Very high	97	Very high	90 Å²	90	60 Å²	60	42%	0.421	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	136.4	172.4	-76.3	-67.6	-5.6	0	0	108	H269 F319 T320 D357	H269-Q332 PolarHBondContact CE1-O 2.76Å; F319-Q332 CarbonylContact O-C 3.6Å; F319-Q332 WeakPolarHBondContact O-CA 3.48Å; F319-Q332 PolarHBondContact O-OE1 2.77Å; T320-Q332 VanDerWaalsContact CB-NE2 3.33Å; T320-Q332 PolarHBondContact OG1-NE2 2.93Å; Q332-D357 PolarHBondContact NE2-OD2 3.19Å
333	S	98.4	Very high	96.8	Very high	5 Å²	5	62.5 Å²	62.5	4%	0.035	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	161.3	172.1	74.5	0	0	0	0	110.3	P266 A267 D318 F319 N335	P266-S333 PolarHBondContact O-OG 3.44Å; A267-S333 WeakPolarHBondContact CA-OG 3.44Å; A267-S333 WeakPolarHBondContact O-CB 3.16Å; D318-S333 CarbonylContact C-O 3.55Å; D318-S333 WeakPolarHBondContact CA-O 3.41Å; F319-S333 PolarHBondContact N-O 2.7Å; F319-S333 PolarHBondContact O-N 3.41Å; S333-N335 PolarHBondContact OG-ND2 2.84Å
334	K	98	Very high	96.8	Very high	67 Å²	67	62.9 Å²	62.9	29%	0.291	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	109.3	173.8	-144.1	-173.2	-175.2	-170	0	110.7	H316 V317 D318 D361	H316-K334 HydrophobicContact CB-CD 3.94Å; H316-K334 HydrophobicContact CB-CG 3.87Å; V317-K334 WeakPolarHBondContact O-CA 3.39Å; D318-K334 WeakPolarHBondContact OD1-CE 3.32Å; D318-K334 WeakPolarHBondContact OD1-CG 3.49Å; D318-K334 VanDerWaalsContact OD2-CE 3.29Å; D318-K334 WeakPolarHBondContact OD2-CE 3.25Å; K334-D361 VanDerWaalsContact NZ-CB 3.34Å; K334-D361 VanDerWaalsContact NZ-CG 3.3Å; K334-D361 PolarHBondContact NZ-O 2.97Å; K334-D361 IonicContact NZ-OD2 2.97Å; K334-D361 PolarHBondContact NZ-OD2 2.86Å
335	N	97.6	Very high	96.8	Very high	11 Å²	11	64.6 Å²	64.6	6%	0.059	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	153.5	-172.4	-72.8	-54.2	0	0	0	111.3	P266 H316 V317 F319 S333 N350	P266-N335 PolarHBondContact O-ND2 3Å; H316-N335 WeakPolarHBondContact CA-O 3.21Å; V317-N335 PolarHBondContact N-O 3.38Å; V317-N335 PolarHBondContact O-N 3.12Å; F319-N335 HydrophobicContact CD2-CB 4.35Å; F319-N335 HydrophobicContact CE2-CB 4.12Å; S333-N335 PolarHBondContact OG-ND2 2.84Å; N335-N350 HydrophobicContact CB-CB 3.87Å
336	R	98.3	Very high	97	Very high	78 Å²	78	62.4 Å²	62.4	29%	0.294	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	150.1	165.7	-64.4	151.4	-177.3	-155.4	9.1	108.8	T313 L315 H316 I338 N350	T313-R336 VanDerWaalsContact O-CD 3.25Å; T313-R336 WeakPolarHBondContact O-CD 3.34Å; T313-R336 PolarHBondContact O-NH1 2.92Å; T313-R336 VanDerWaalsContact O-NH1 3.09Å; L315-R336 WeakPolarHBondContact O-CA 3.35Å; H316-R336 PolarHBondContact CE1-NE 2.91Å; H316-R336 PolarHBondContact NE2-NE 3.25Å; H316-R336 VanDerWaalsContact NE2-NE 3.18Å; R336-I338 PolarHBondContact O-N 2.91Å; R336-N350 WeakPolarHBondContact O-CB 3.49Å; R336-N350 PolarHBondContact O-ND2 2.78Å
337	I	98.8	Very high	97.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.317	C	S	.	.	S	Bend	trans	-65.4	-35.3	176.2	-59.8	-56.6	0	0	0	110.6	L312 V317 F319 I349 N350 Y351 F370 L374 Y377	L312-I337 HydrophobicContact CB-CB 4.2Å; L312-I337 HydrophobicContact CD1-CG2 4.35Å; L312-I337 HydrophobicContact CD2-CB 4.16Å; L312-I337 HydrophobicContact CD2-CG1 4.09Å; L312-I337 HydrophobicContact CD2-CG2 4.46Å; L312-I337 PolarHBondContact O-N 2.93Å; V317-I337 HydrophobicContact CB-CD1 4.24Å; V317-I337 HydrophobicContact CG2-CD1 3.95Å; V317-I337 HydrophobicContact CG2-CG1 4.02Å; F319-I337 HydrophobicContact CE2-CD1 4.45Å; F319-I337 HydrophobicContact CZ-CD1 3.85Å; I337-I349 WeakPolarHBondContact O-CA 3.42Å; I337-N350 WeakPolarHBondContact CD1-O 3.33Å; I337-N350 PolarHBondContact O-N 2.89Å; I337-Y351 HydrophobicContact CD1-CD2 4.41Å; I337-F370 HydrophobicContact CG1-CE2 4.13Å; I337-L374 HydrophobicContact CG1-CD1 4.31Å; I337-L374 HydrophobicContact CG2-CD1 4.12Å; I337-Y377 HydrophobicContact CG2-CD1 4.33Å; I337-Y377 HydrophobicContact CG2-CE1 4.43Å
338	I	98.9	Very high	97.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	110	176.8	-54.1	176.8	0	0	0	107.6	A298 L301 F309 L312 T313 R336 V340 V346 I349 Y377	A298-I338 HydrophobicContact CB-CD1 4Å; A298-I338 HydrophobicContact CB-CG2 4.25Å; L301-I338 HydrophobicContact CD2-CD1 4.08Å; F309-I338 HydrophobicContact CD2-CD1 4.26Å; F309-I338 HydrophobicContact CE2-CD1 4.45Å; F309-I338 HydrophobicContact CE2-CG2 4.31Å; L312-I338 HydrophobicContact CB-CD1 3.9Å; L312-I338 HydrophobicContact CB-CG1 4.07Å; L312-I338 HydrophobicContact CD1-CD1 4.16Å; L312-I338 PolarHBondContact O-N 3.12Å; L312-I338 VanDerWaalsContact O-N 3.1Å; T313-I338 WeakPolarHBondContact CA-O 3.45Å; T313-I338 HydrophobicContact CG2-CB 3.75Å; T313-I338 HydrophobicContact CG2-CG2 3.73Å; R336-I338 PolarHBondContact O-N 2.91Å; I338-V340 HydrophobicContact CG2-CG1 4.43Å; I338-V346 HydrophobicContact CG2-CB 4.41Å; I338-V346 HydrophobicContact CG2-CG1 3.72Å; I338-V346 HydrophobicContact CG2-CG2 3.87Å; I338-I349 HydrophobicContact CB-CD1 4.44Å; I338-I349 HydrophobicContact CG1-CD1 4.16Å; I338-I349 HydrophobicContact CG2-CD1 4.1Å; I338-Y377 HydrophobicContact CD1-CE1 4.48Å; I338-Y377 HydrophobicContact CD1-CE2 4.41Å; I338-Y377 HydrophobicContact CG1-CE1 4.48Å
339	D	98.5	Very high	97.2	Very high	24 Å²	24	52.3 Å²	52.3	13%	0.128	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	142	170.7	-70.1	-35.8	0	0	0	109.9	V346 T347 R348 N350	D339-V346 WeakPolarHBondContact O-CA 3.39Å; D339-T347 PolarHBondContact O-N 2.83Å; D339-T347 PolarHBondContact O-OG1 3.31Å; D339-R348 HydrophobicContact CB-CB 4.12Å; D339-R348 PolarHBondContact N-O 3.12Å; D339-R348 IonicContact OD2-CZ 2.81Å; D339-R348 VanDerWaalsContact OD2-CZ 3.23Å; D339-R348 IonicContact OD2-NE 2.64Å; D339-R348 PolarHBondContact OD2-NE 2.87Å; D339-R348 IonicContact OD2-NH2 3.19Å; D339-R348 PolarHBondContact OD2-NH2 3.45Å; D339-N350 VanDerWaalsContact CG-ND2 3.34Å; D339-N350 PolarHBondContact OD2-ND2 3.26Å
340	V	98.1	Very high	97.3	Very high	40 Å²	40	51.7 Å²	51.7	24%	0.242	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	152.2	177.1	-65.8	0	0	0	0	111.4	F309 T313 I338 K345 V346	F309-V340 HydrophobicContact CZ-CG1 4.21Å; T313-V340 HydrophobicContact CG2-CG1 3.71Å; I338-V340 HydrophobicContact CG2-CG1 4.43Å; V340-K345 CarbonylContact C-O 3.53Å; V340-K345 WeakPolarHBondContact CA-O 3.26Å; V340-K345 WeakPolarHBondContact CB-O 2.99Å; V340-V346 HydrophobicContact CG1-CG2 4.27Å
341	D	95.7	Very high	97.3	Very high	61 Å²	61	45 Å²	45	33%	0.326	24%	0.238	S	C	.	.			trans	-78.9	-175.3	172	71	11.8	0	0	0	112.9	E343 G344 K345 T347	D341-E343 PolarHBondContact O-N 3Å; D341-E343 WeakPolarHBondContact OD1-CA 3.35Å; D341-E343 WeakPolarHBondContact OD1-CB 3.2Å; D341-E343 PolarHBondContact OD1-N 3.28Å; D341-G344 PolarHBondContact O-N 3.35Å; D341-G344 PolarHBondContact OD1-N 3.21Å; D341-K345 PolarHBondContact N-O 2.69Å; D341-K345 PolarHBondContact OD1-N 3.41Å; D341-T347 HydrophobicContact CB-CG2 3.86Å
342	S	94.4	Very high	97.3	Very high	128 Å²	128	44.6 Å²	44.6	90%	0.895	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.5	177.5	51	0	0	0	0	114.7
343	E	92.6	Very high	97.2	Very high	139 Å²	139	43.6 Å²	43.6	65%	0.65	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-2.5	173.9	-62.8	-179.4	-158.1	0	0	111.9	D341 K345	D341-E343 PolarHBondContact O-N 3Å; D341-E343 WeakPolarHBondContact OD1-CA 3.35Å; D341-E343 WeakPolarHBondContact OD1-CB 3.2Å; D341-E343 PolarHBondContact OD1-N 3.28Å; E343-K345 HydrophobicContact CB-CD 4.44Å; E343-K345 WeakPolarHBondContact OE2-CE 3.34Å; E343-K345 IonicContact OE2-NZ 3.88Å; E343-K345 PolarHBondContact OE2-NZ 2.94Å
344	G	93.1	Very high	97.1	Very high	33 Å²	33	46.4 Å²	46.4	34%	0.34	26%	0.257	S	S	.	.			trans	81.4	10.9	-177.2	0	0	0	0	0	114.4	D341	D341-G344 PolarHBondContact O-N 3.35Å; D341-G344 PolarHBondContact OD1-N 3.21Å
345	K	94.8	Very high	97	Very high	118 Å²	118	43.9 Å²	43.9	51%	0.513	25%	0.247	S	C	.	.			trans	-77.5	140	175.3	-66.3	165.2	175.7	157.9	0	109.9	V340 D341 E343 T347	V340-K345 CarbonylContact C-O 3.53Å; V340-K345 WeakPolarHBondContact CA-O 3.26Å; V340-K345 WeakPolarHBondContact CB-O 2.99Å; D341-K345 PolarHBondContact N-O 2.69Å; D341-K345 PolarHBondContact OD1-N 3.41Å; E343-K345 HydrophobicContact CB-CD 4.44Å; E343-K345 WeakPolarHBondContact OE2-CE 3.34Å; E343-K345 IonicContact OE2-NZ 3.88Å; E343-K345 PolarHBondContact OE2-NZ 2.94Å; K345-T347 PolarHBondContact O-N 2.95Å
346	V	97.9	Very high	97	Very high	18 Å²	18	45.4 Å²	45.4	11%	0.109	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	130.1	-179.4	-175.7	0	0	0	0	110.5	F295 A298 F309 I338 D339 V340 I349	F295-V346 HydrophobicContact CD1-CB 4.21Å; F295-V346 HydrophobicContact CD1-CG1 3.44Å; F295-V346 VanDerWaalsContact CD1-CG1 3.44Å; F295-V346 HydrophobicContact CE1-CG1 3.79Å; F295-V346 HydrophobicContact CG-CB 4.4Å; F295-V346 HydrophobicContact CG-CG1 4.1Å; A298-V346 HydrophobicContact CB-CG1 4.43Å; A298-V346 HydrophobicContact CB-CG2 3.85Å; F309-V346 HydrophobicContact CE2-CG2 4.09Å; F309-V346 HydrophobicContact CZ-CG2 4.19Å; I338-V346 HydrophobicContact CG2-CB 4.41Å; I338-V346 HydrophobicContact CG2-CG1 3.72Å; I338-V346 HydrophobicContact CG2-CG2 3.87Å; D339-V346 WeakPolarHBondContact O-CA 3.39Å; V340-V346 HydrophobicContact CG1-CG2 4.27Å; V346-I349 HydrophobicContact CG1-CD1 3.78Å
347	T	97.4	Very high	97	Very high	62 Å²	62	42.5 Å²	42.5	38%	0.38	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-28.2	-177.1	53.1	0	0	0	0	113.8	F295 D339 D341 K345	F295-T347 WeakPolarHBondContact CZ-O 3.19Å; D339-T347 PolarHBondContact O-N 2.83Å; D339-T347 PolarHBondContact O-OG1 3.31Å; D341-T347 HydrophobicContact CB-CG2 3.86Å; K345-T347 PolarHBondContact O-N 2.95Å
348	R	98.5	Very high	96.9	Very high	34 Å²	34	48.1 Å²	48.1	13%	0.128	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	146.5	179.3	179.1	171.6	62.7	161.7	13.9	111.4	H269 D339 N350 W403	H269-R348 PolarHBondContact O-NH1 3.3Å; D339-R348 HydrophobicContact CB-CB 4.12Å; D339-R348 PolarHBondContact N-O 3.12Å; D339-R348 IonicContact OD2-CZ 2.81Å; D339-R348 VanDerWaalsContact OD2-CZ 3.23Å; D339-R348 IonicContact OD2-NE 2.64Å; D339-R348 PolarHBondContact OD2-NE 2.87Å; D339-R348 IonicContact OD2-NH2 3.19Å; D339-R348 PolarHBondContact OD2-NH2 3.45Å; R348-N350 WeakPolarHBondContact CD-OD1 3.3Å; R348-N350 PolarHBondContact NE-OD1 3.46Å; R348-W403 CarbonylContact C-O 3.54Å; R348-W403 WeakPolarHBondContact CA-O 3.5Å; R348-W403 HydrophobicContact CB-CB 4.14Å; R348-W403 HydrophobicContact CB-CG 4.36Å; R348-W403 HydrophobicContact CG-CB 3.8Å; R348-W403 HydrophobicContact CG-CD2 4.44Å; R348-W403 HydrophobicContact CG-CG 3.78Å
349	I	98.8	Very high	96.8	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.4	169.7	-51.2	-57	0	0	0	109.2	T263 F295 A298 I337 I338 V346 Y377 W403 L406	T263-I349 HydrophobicContact CG2-CB 4.08Å; T263-I349 HydrophobicContact CG2-CG2 4.28Å; T263-I349 VanDerWaalsContact CG2-O 3.27Å; T263-I349 WeakPolarHBondContact CG2-O 3.32Å; T263-I349 PolarHBondContact OG1-O 2.93Å; F295-I349 HydrophobicContact CD1-CD1 4.17Å; F295-I349 HydrophobicContact CD1-CG1 4.05Å; F295-I349 HydrophobicContact CE1-CD1 4.48Å; F295-I349 HydrophobicContact CE1-CG1 4.16Å; A298-I349 HydrophobicContact CB-CD1 4.47Å; I337-I349 WeakPolarHBondContact O-CA 3.42Å; I338-I349 HydrophobicContact CB-CD1 4.44Å; I338-I349 HydrophobicContact CG1-CD1 4.16Å; I338-I349 HydrophobicContact CG2-CD1 4.1Å; V346-I349 HydrophobicContact CG1-CD1 3.78Å; I349-Y377 WeakPolarHBondContact CD1-OH 3.32Å; I349-Y377 HydrophobicContact CG2-CE1 4.26Å; I349-W403 PolarHBondContact N-O 2.99Å; I349-L406 HydrophobicContact CG2-CD1 4.14Å; I349-L406 HydrophobicContact CG2-CD2 4.08Å; I349-L406 HydrophobicContact CG2-CG 4.27Å
350	N	98.7	Very high	96.6	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	31%	0.308	C	S	.	.			trans	-114.1	90.2	175.6	-46	-78.7	0	0	0	108.4	P266 F319 N335 R336 I337 D339 R348	P266-N350 HydrophobicContact CB-CB 4.18Å; F319-N350 WeakPolarHBondContact CZ-O 3.26Å; N335-N350 HydrophobicContact CB-CB 3.87Å; R336-N350 WeakPolarHBondContact O-CB 3.49Å; R336-N350 PolarHBondContact O-ND2 2.78Å; I337-N350 WeakPolarHBondContact CD1-O 3.33Å; I337-N350 PolarHBondContact O-N 2.89Å; D339-N350 VanDerWaalsContact CG-ND2 3.34Å; D339-N350 PolarHBondContact OD2-ND2 3.26Å; R348-N350 WeakPolarHBondContact CD-OD1 3.3Å; R348-N350 PolarHBondContact NE-OD1 3.46Å
351	Y	98.5	Very high	96.5	Very high	14 Å²	14	55.8 Å²	55.8	6%	0.055	32%	0.324	C	S	.	.			trans	-147	107.6	-178.5	179	-110.7	0	0	0	112.4	L261 H262 T263 I337 N353 L374 V378 M381 L406	L261-Y351 WeakPolarHBondContact O-CE1 3.33Å; H262-Y351 CarbonylContact C-O 3.52Å; H262-Y351 WeakPolarHBondContact CA-O 3.33Å; H262-Y351 WeakPolarHBondContact CB-O 3.44Å; T263-Y351 PolarHBondContact N-O 2.94Å; T263-Y351 PolarHBondContact OG1-N 2.89Å; I337-Y351 HydrophobicContact CD1-CD2 4.41Å; Y351-N353 HydrophobicContact CE2-CB 4.1Å; Y351-L374 HydrophobicContact CD2-CD1 3.9Å; Y351-L374 HydrophobicContact CE2-CD1 3.7Å; Y351-L374 HydrophobicContact CE2-CD2 4.21Å; Y351-L374 HydrophobicContact CE2-CG 4.29Å; Y351-V378 HydrophobicContact CE1-CG2 4.05Å; Y351-V378 HydrophobicContact CE2-CG2 4.5Å; Y351-V378 WeakPolarHBondContact OH-CG2 3.37Å; Y351-M381 HydrophobicContact CD1-CE 4.23Å; Y351-M381 HydrophobicContact CE1-CE 4.19Å; Y351-L406 HydrophobicContact CD1-CD2 3.67Å; Y351-L406 HydrophobicContact CG-CD2 4.35Å
352	N	98.3	Very high	96.6	Very high	13 Å²	13	54 Å²	54	7%	0.07	31%	0.314	C	S	.	.			trans	-134.2	114.6	160.6	-172.1	-26	0	0	0	108.2	H262 T263 P266 A354 T355 R356	H262-N352 HydrophobicContact CB-CB 4.03Å; H262-N352 PolarHBondContact CD2-ND2 2.99Å; H262-N352 VanDerWaalsContact CD2-ND2 3.34Å; T263-N352 WeakPolarHBondContact O-CB 3.38Å; P266-N352 HydrophobicContact CG-CB 3.59Å; N352-A354 PolarHBondContact O-N 3.08Å; N352-A354 WeakPolarHBondContact OD1-CB 3.08Å; N352-A354 PolarHBondContact OD1-N 3.46Å; N352-T355 WeakPolarHBondContact CB-OG1 3.41Å; N352-T355 PolarHBondContact O-N 2.8Å; N352-R356 PolarHBondContact O-N 3.41Å; N352-R356 VanDerWaalsContact O-N 3.12Å
353	N	96.9	Very high	96.7	Very high	69 Å²	69	51 Å²	51	37%	0.369	29%	0.291	S	S	.	.	S	Bend	trans	-73.2	-15	-177.4	-170	75.4	0	0	0	113.3	Y351 R356	Y351-N353 HydrophobicContact CE2-CB 4.1Å; N353-R356 PolarHBondContact OD1-NE 2.87Å; N353-R356 PolarHBondContact OD1-NH2 3.42Å
354	A	94.4	Very high	97	Very high	64 Å²	64	51.8 Å²	51.8	53%	0.529	30%	0.299	S	S	.	.	S	Bend	trans	-77.2	-32	175	0	0	0	0	0	112.4	V252 N352	V252-A354 HydrophobicContact CG2-CB 3.98Å; N352-A354 PolarHBondContact O-N 3.08Å; N352-A354 WeakPolarHBondContact OD1-CB 3.08Å; N352-A354 PolarHBondContact OD1-N 3.46Å
355	T	97.1	Very high	97.2	Very high	14 Å²	14	57 Å²	57	9%	0.086	31%	0.314	C	S	.	.	S	Bend	trans	-107.7	8.2	-178.8	64.3	0	0	0	0	113.1	F319 T320 N352	F319-T355 CarbonylContact C-O 3.51Å; F319-T355 WeakPolarHBondContact CA-O 3.3Å; F319-T355 WeakPolarHBondContact CB-O 3.48Å; T320-T355 PolarHBondContact N-O 2.97Å; T320-T355 WeakPolarHBondContact O-CA 3.43Å; T320-T355 VanDerWaalsContact O-CB 3.27Å; T320-T355 WeakPolarHBondContact O-CB 3.11Å; N352-T355 WeakPolarHBondContact CB-OG1 3.41Å; N352-T355 PolarHBondContact O-N 2.8Å
356	R	98	Very high	97.4	Very high	42 Å²	42	54.1 Å²	54.1	16%	0.158	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-75.5	126	170.6	-178.8	177.4	56	71.9	0.3	108.4	V317 F319 N352 N353 Y371	V317-R356 HydrophobicContact CG1-CG 3.69Å; F319-R356 HydrophobicContact CD1-CB 4.04Å; F319-R356 HydrophobicContact CE1-CB 3.95Å; F319-R356 HydrophobicContact CE1-CG 4.39Å; N352-R356 PolarHBondContact O-N 3.41Å; N352-R356 VanDerWaalsContact O-N 3.12Å; N353-R356 PolarHBondContact OD1-NE 2.87Å; N353-R356 PolarHBondContact OD1-NH2 3.42Å; R356-Y371 PolarHBondContact NH1-OH 2.96Å
357	D	98.3	Very high	97.4	Very high	17 Å²	17	54.9 Å²	54.9	9%	0.091	31%	0.308	C	S	.	.			trans	-68.2	155.6	-173.2	-154.4	-35.9	0	0	0	111.7	D318 T320 Q332 V359	D318-D357 HydrophobicContact CB-CB 4.12Å; D318-D357 PolarHBondContact O-N 3.36Å; T320-D357 WeakPolarHBondContact CB-OD2 3.26Å; T320-D357 HydrophobicContact CG2-CB 3.87Å; Q332-D357 PolarHBondContact NE2-OD2 3.19Å; D357-V359 VanDerWaalsContact C-N 3.31Å; D357-V359 HydrophobicContact CB-CB 4.21Å; D357-V359 PolarHBondContact OD1-N 2.73Å
358	S	97.1	Very high	97.4	Very high	119 Å²	119	59 Å²	59	83%	0.832	32%	0.322	S	S	*	.	S	Bend	trans	-67.5	-30.1	160.9	64.3	0	0	0	0	112.7	L360	S358-L360 PolarHBondContact O-N 2.69Å
359	V	95.9	Very high	97.4	Very high	79 Å²	79	59.7 Å²	59.7	48%	0.479	33%	0.331	S	S	.	.			trans	-63	124.7	164.5	179.9	0	0	0	0	107.8	D357	D357-V359 VanDerWaalsContact C-N 3.31Å; D357-V359 HydrophobicContact CB-CB 4.21Å; D357-V359 PolarHBondContact OD1-N 2.73Å
360	L	94.6	Very high	97.4	Very high	39 Å²	39	59.7 Å²	59.7	20%	0.204	33%	0.331	C	S	.	.			trans	-134.9	90.2	179.1	-176.1	64.1	0	0	0	108	S358 L362 V367 F370 Y371	S358-L360 PolarHBondContact O-N 2.69Å; L360-L362 HydrophobicContact CD1-CD1 3.71Å; L360-L362 HydrophobicContact CD1-CG 3.97Å; L360-L362 HydrophobicContact CD2-CD1 4.23Å; L360-L362 HydrophobicContact CG-CB 4.32Å; L360-L362 HydrophobicContact CG-CD1 3.93Å; L360-L362 HydrophobicContact CG-CG 4.03Å; L360-L362 PolarHBondContact O-N 2.74Å; L360-V367 HydrophobicContact CD2-CG1 3.97Å; L360-V367 HydrophobicContact CD2-CG2 4.26Å; L360-F370 HydrophobicContact CD1-CD1 4.36Å; L360-F370 HydrophobicContact CD1-CE1 4.17Å; L360-F370 HydrophobicContact CD2-CD1 4.46Å; L360-Y371 HydrophobicContact CD2-CE2 3.93Å
361	D	96.6	Very high	97.4	Very high	107 Å²	107	64.2 Å²	64.2	57%	0.572	35%	0.349	S	S	*	.			trans	-77.9	73.6	-179.7	176.7	37.6	0	0	0	110.9	D318 K334	D318-D361 PolarHBondContact OD2-N 3.2Å; K334-D361 VanDerWaalsContact NZ-CB 3.34Å; K334-D361 VanDerWaalsContact NZ-CG 3.3Å; K334-D361 PolarHBondContact NZ-O 2.97Å; K334-D361 IonicContact NZ-OD2 2.97Å; K334-D361 PolarHBondContact NZ-OD2 2.86Å
362	L	96.5	Very high	97.4	Very high	23 Å²	23	68 Å²	68	12%	0.12	36%	0.363	C	S	.	.	S	Bend	trans	-132.9	141.2	175.2	-64.8	-178.3	0	0	0	110.6	L315 L360 V367 F370	L315-L362 HydrophobicContact CB-CD2 4.11Å; L315-L362 HydrophobicContact CD1-CD1 4.11Å; L315-L362 HydrophobicContact CD1-CD2 4.08Å; L315-L362 HydrophobicContact CD2-CD2 4.15Å; L315-L362 HydrophobicContact CG-CD2 4.34Å; L360-L362 HydrophobicContact CD1-CD1 3.71Å; L360-L362 HydrophobicContact CD1-CG 3.97Å; L360-L362 HydrophobicContact CD2-CD1 4.23Å; L360-L362 HydrophobicContact CG-CB 4.32Å; L360-L362 HydrophobicContact CG-CD1 3.93Å; L360-L362 HydrophobicContact CG-CG 4.03Å; L360-L362 PolarHBondContact O-N 2.74Å; L362-V367 HydrophobicContact CB-CG2 4.33Å; L362-F370 HydrophobicContact CD1-CB 3.86Å; L362-F370 HydrophobicContact CD1-CD1 4.14Å; L362-F370 HydrophobicContact CD1-CD2 4.45Å; L362-F370 HydrophobicContact CD1-CG 3.88Å
363	P	97.4	Very high	97.5	Very high	65 Å²	65	67.4 Å²	67.4	42%	0.422	36%	0.36	S	S	.	.			trans	-54.7	140.8	166.8	-24.5	33.6	0	0	0	112	H365 Q366	P363-H365 PolarHBondContact O-N 2.81Å; P363-Q366 HydrophobicContact CB-CG 4.33Å; P363-Q366 WeakPolarHBondContact O-CB 3.42Å; P363-Q366 PolarHBondContact O-N 3.38Å
364	L	97.8	Very high	97.5	Very high	156 Å²	156	64.5 Å²	64.5	82%	0.817	34%	0.344	S	S	*	.	H	α-helix	trans	-48.7	-38.7	-175.3	179.5	62.1	0	0	0	114.3	Q366 V367	L364-Q366 PolarHBondContact O-N 2.89Å; L364-V367 PolarHBondContact O-N 2.79Å
365	H	97.9	Very high	97.7	Very high	142 Å²	142	68.9 Å²	68.9	66%	0.657	35%	0.347	S	S	*	.	H	α-helix	trans	-69.7	-17	-179.9	69.3	-94.5	0	0	0	114	P363 P369	P363-H365 PolarHBondContact O-N 2.81Å; H365-P369 VanDerWaalsContact O-CD 3.32Å; H365-P369 WeakPolarHBondContact O-CD 3.11Å; H365-P369 WeakPolarHBondContact O-CG 3.25Å
366	Q	98.1	Very high	97.8	Very high	57 Å²	57	69.4 Å²	69.4	27%	0.266	35%	0.353	S	S	.	.	H	α-helix	trans	-93.8	-17.8	178.8	-57.9	-173.4	-9.3	0	0	113	L315 P363 L364 P369 F370	L315-Q366 HydrophobicContact CD1-CB 4.34Å; L315-Q366 VanDerWaalsContact CD2-OE1 3.25Å; P363-Q366 HydrophobicContact CB-CG 4.33Å; P363-Q366 WeakPolarHBondContact O-CB 3.42Å; P363-Q366 PolarHBondContact O-N 3.38Å; L364-Q366 PolarHBondContact O-N 2.89Å; Q366-P369 WeakPolarHBondContact O-CD 3.29Å; Q366-F370 VanDerWaalsContact O-CB 3.3Å; Q366-F370 WeakPolarHBondContact O-CB 3.39Å; Q366-F370 PolarHBondContact O-N 2.88Å
367	V	98.2	Very high	97.9	Very high	35 Å²	35	67.4 Å²	67.4	21%	0.212	35%	0.345	C	S	.	.	H	α-helix	trans	-60.2	-51	-175.4	177.3	0	0	0	0	112.1	L360 L362 L364 F370 Y371	L360-V367 HydrophobicContact CD2-CG1 3.97Å; L360-V367 HydrophobicContact CD2-CG2 4.26Å; L362-V367 HydrophobicContact CB-CG2 4.33Å; L364-V367 PolarHBondContact O-N 2.79Å; V367-F370 PolarHBondContact O-N 3.1Å; V367-Y371 HydrophobicContact CG1-CD2 3.96Å; V367-Y371 HydrophobicContact CG1-CE2 3.97Å; V367-Y371 VanDerWaalsContact O-CD2 3.3Å; V367-Y371 WeakPolarHBondContact O-CD2 3.42Å; V367-Y371 PolarHBondContact O-N 3.34Å; V367-Y371 VanDerWaalsContact O-N 3.07Å
368	Q	98.5	Very high	97.9	Very high	148 Å²	148	68 Å²	68	69%	0.692	35%	0.35	S	S	*	.	H	α-helix	trans	-66.7	-45.8	178.5	-75.2	-69.9	-7	0	0	112.8	F370 Y371 R372	Q368-F370 VanDerWaalsContact C-N 3.3Å; Q368-F370 PolarHBondContact O-N 3.38Å; Q368-Y371 PolarHBondContact O-N 2.91Å; Q368-R372 WeakPolarHBondContact O-CB 3.49Å; Q368-R372 PolarHBondContact O-N 3.25Å
369	P	98.5	Very high	97.9	Very high	48 Å²	48	65.6 Å²	65.6	31%	0.312	33%	0.327	S	S	.	.	H	α-helix	trans	-54.4	-40.5	170.1	-30	36	0	0	0	114.3	H365 Q366 R372 A373	H365-P369 VanDerWaalsContact O-CD 3.32Å; H365-P369 WeakPolarHBondContact O-CD 3.11Å; H365-P369 WeakPolarHBondContact O-CG 3.25Å; Q366-P369 WeakPolarHBondContact O-CD 3.29Å; P369-R372 WeakPolarHBondContact O-CB 3.49Å; P369-R372 PolarHBondContact O-N 3.35Å; P369-A373 WeakPolarHBondContact O-CB 3.43Å; P369-A373 PolarHBondContact O-N 3.16Å
370	F	98.6	Very high	98.1	Very high	1 Å²	1	62 Å²	62	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-61.1	-51.2	175.3	169	-105.8	0	0	0	111.9	T311 L312 L315 V317 I337 L360 L362 Q366 V367 Q368 R372 A373 L374	T311-F370 HydrophobicContact CG2-CB 4.46Å; L312-F370 HydrophobicContact CD2-CD2 4.26Å; L312-F370 HydrophobicContact CD2-CE2 4.11Å; L315-F370 HydrophobicContact CD1-CB 4.06Å; L315-F370 HydrophobicContact CD1-CD2 4.38Å; V317-F370 HydrophobicContact CB-CZ 4.47Å; V317-F370 HydrophobicContact CG1-CZ 4.09Å; V317-F370 HydrophobicContact CG2-CD2 4.34Å; V317-F370 HydrophobicContact CG2-CE2 3.38Å; V317-F370 HydrophobicContact CG2-CZ 3.48Å; V317-F370 VanDerWaalsContact CG2-CZ 3.48Å; I337-F370 HydrophobicContact CG1-CE2 4.13Å; L360-F370 HydrophobicContact CD1-CD1 4.36Å; L360-F370 HydrophobicContact CD1-CE1 4.17Å; L360-F370 HydrophobicContact CD2-CD1 4.46Å; L362-F370 HydrophobicContact CD1-CB 3.86Å; L362-F370 HydrophobicContact CD1-CD1 4.14Å; L362-F370 HydrophobicContact CD1-CD2 4.45Å; L362-F370 HydrophobicContact CD1-CG 3.88Å; Q366-F370 VanDerWaalsContact O-CB 3.3Å; Q366-F370 WeakPolarHBondContact O-CB 3.39Å; Q366-F370 PolarHBondContact O-N 2.88Å; V367-F370 PolarHBondContact O-N 3.1Å; Q368-F370 VanDerWaalsContact C-N 3.3Å; Q368-F370 PolarHBondContact O-N 3.38Å; F370-R372 VanDerWaalsContact C-N 3.31Å; F370-R372 PolarHBondContact O-N 2.75Å; F370-A373 PolarHBondContact O-N 3.37Å; F370-L374 HydrophobicContact CE1-CD2 4.18Å; F370-L374 HydrophobicContact CZ-CD2 3.87Å; F370-L374 WeakPolarHBondContact O-CB 3.38Å; F370-L374 PolarHBondContact O-N 3.23Å
371	Y	98.8	Very high	98.2	Very high	97 Å²	97	60.2 Å²	60.2	38%	0.38	30%	0.296	S	S	.	.	H	α-helix	trans	-63.3	-36.3	177.8	-83.2	-70.9	0	0	0	112.6	R356 L360 V367 Q368 R375	R356-Y371 PolarHBondContact NH1-OH 2.96Å; L360-Y371 HydrophobicContact CD2-CE2 3.93Å; V367-Y371 HydrophobicContact CG1-CD2 3.96Å; V367-Y371 HydrophobicContact CG1-CE2 3.97Å; V367-Y371 VanDerWaalsContact O-CD2 3.3Å; V367-Y371 WeakPolarHBondContact O-CD2 3.42Å; V367-Y371 PolarHBondContact O-N 3.34Å; V367-Y371 VanDerWaalsContact O-N 3.07Å; Q368-Y371 PolarHBondContact O-N 2.91Å; Y371-R375 WeakPolarHBondContact O-CB 3.4Å; Y371-R375 PolarHBondContact O-N 3.01Å
372	R	98.8	Very high	98.3	Very high	94 Å²	94	58.3 Å²	58.3	36%	0.355	29%	0.286	S	S	.	.	H	α-helix	trans	-59.5	-50.6	172.5	-174.6	-161.5	76	73	-12	111.3	D305 E307 Q368 P369 F370 R375 A376	D305-R372 IonicContact OD1-NH1 3.89Å; D305-R372 IonicContact OD1-NH2 2.77Å; D305-R372 PolarHBondContact OD1-NH2 2.75Å; D305-R372 IonicContact OD2-CZ 3.63Å; D305-R372 IonicContact OD2-NH1 3.49Å; D305-R372 PolarHBondContact OD2-NH1 2.81Å; D305-R372 IonicContact OD2-NH2 2.62Å; D305-R372 PolarHBondContact OD2-NH2 3.19Å; E307-R372 IonicContact OE1-CZ 2.66Å; E307-R372 IonicContact OE1-NE 3.85Å; E307-R372 IonicContact OE1-NH2 2.91Å; E307-R372 PolarHBondContact OE1-NH2 2.84Å; Q368-R372 WeakPolarHBondContact O-CB 3.49Å; Q368-R372 PolarHBondContact O-N 3.25Å; P369-R372 WeakPolarHBondContact O-CB 3.49Å; P369-R372 PolarHBondContact O-N 3.35Å; F370-R372 VanDerWaalsContact C-N 3.31Å; F370-R372 PolarHBondContact O-N 2.75Å; R372-R375 PolarHBondContact O-N 3.37Å; R372-A376 PolarHBondContact O-N 2.84Å
373	A	98.9	Very high	98.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.6	-46.8	-178.8	0	0	0	0	0	112	A308 T311 L312 P369 F370 R375 A376 Y377	A308-A373 HydrophobicContact CB-CB 3.63Å; T311-A373 HydrophobicContact CG2-CB 3.82Å; L312-A373 HydrophobicContact CD2-CB 4.03Å; L312-A373 HydrophobicContact CG-CB 4.01Å; P369-A373 WeakPolarHBondContact O-CB 3.43Å; P369-A373 PolarHBondContact O-N 3.16Å; F370-A373 PolarHBondContact O-N 3.37Å; A373-R375 VanDerWaalsContact C-N 3.3Å; A373-R375 PolarHBondContact O-N 2.93Å; A373-A376 PolarHBondContact O-N 3.14Å; A373-Y377 PolarHBondContact O-N 3.35Å; A373-Y377 VanDerWaalsContact O-N 3.08Å
374	L	98.8	Very high	98.4	Very high	8 Å²	8	62.6 Å²	62.6	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-61.1	-41.6	177.3	-176.1	61	0	0	0	111.1	L312 I337 Y351 F370 Y377 V378	L312-L374 HydrophobicContact CD2-CB 4.17Å; L312-L374 HydrophobicContact CD2-CD1 4.42Å; I337-L374 HydrophobicContact CG1-CD1 4.31Å; I337-L374 HydrophobicContact CG2-CD1 4.12Å; Y351-L374 HydrophobicContact CD2-CD1 3.9Å; Y351-L374 HydrophobicContact CE2-CD1 3.7Å; Y351-L374 HydrophobicContact CE2-CD2 4.21Å; Y351-L374 HydrophobicContact CE2-CG 4.29Å; F370-L374 HydrophobicContact CE1-CD2 4.18Å; F370-L374 HydrophobicContact CZ-CD2 3.87Å; F370-L374 WeakPolarHBondContact O-CB 3.38Å; F370-L374 PolarHBondContact O-N 3.23Å; L374-Y377 PolarHBondContact O-N 3.02Å; L374-V378 VanDerWaalsContact O-CG2 3.3Å; L374-V378 WeakPolarHBondContact O-CG2 3.49Å; L374-V378 PolarHBondContact O-N 3.34Å
375	R	98.6	Very high	98.4	Very high	155 Å²	155	60.2 Å²	60.2	59%	0.585	29%	0.291	S	S	*	.	H	α-helix	trans	-63.2	-43.8	176.5	179.6	62	-160	-111.9	4.6	112	Y371 R372 A373 Y377 V378 D379	Y371-R375 WeakPolarHBondContact O-CB 3.4Å; Y371-R375 PolarHBondContact O-N 3.01Å; R372-R375 PolarHBondContact O-N 3.37Å; A373-R375 VanDerWaalsContact C-N 3.3Å; A373-R375 PolarHBondContact O-N 2.93Å; R375-Y377 VanDerWaalsContact C-N 3.34Å; R375-Y377 PolarHBondContact O-N 3.19Å; R375-V378 PolarHBondContact O-N 3.23Å; R375-D379 IonicContact CZ-OD1 3.34Å; R375-D379 VanDerWaalsContact CZ-OD1 3.26Å; R375-D379 IonicContact CZ-OD2 3.92Å; R375-D379 IonicContact NE-OD1 3.51Å; R375-D379 PolarHBondContact NE-OD1 2.76Å; R375-D379 IonicContact NE-OD2 3.66Å; R375-D379 PolarHBondContact NE-OD2 3.26Å; R375-D379 IonicContact NH2-OD1 2.72Å; R375-D379 PolarHBondContact NH2-OD1 2.81Å; R375-D379 IonicContact NH2-OD2 2.79Å; R375-D379 PolarHBondContact NH2-OD2 2.86Å; R375-D379 WeakPolarHBondContact O-CB 3.46Å; R375-D379 PolarHBondContact O-N 2.78Å
376	A	98.8	Very high	98.4	Very high	25 Å²	25	53.8 Å²	53.8	21%	0.207	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-43.1	176.8	0	0	0	0	0	112.2	L301 R372 A373 D379 I380	L301-A376 HydrophobicContact CD1-CB 4.08Å; R372-A376 PolarHBondContact O-N 2.84Å; A373-A376 PolarHBondContact O-N 3.14Å; A376-D379 PolarHBondContact O-N 2.81Å; A376-I380 WeakPolarHBondContact O-CG1 3.31Å; A376-I380 PolarHBondContact O-N 3.19Å
377	Y	98.8	Very high	98.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.3	-43.9	175.2	-172.6	-131.3	0	0	0	112.1	G294 M297 A298 L301 L312 I337 I338 I349 A373 L374 R375 D379 I380 M381	G294-Y377 PolarHBondContact O-OH 2.98Å; M297-Y377 HydrophobicContact CB-CD2 4.47Å; M297-Y377 HydrophobicContact CB-CE2 3.68Å; A298-Y377 HydrophobicContact CB-CE2 4.22Å; L301-Y377 HydrophobicContact CB-CD2 4.29Å; L301-Y377 HydrophobicContact CD2-CD2 3.99Å; L301-Y377 HydrophobicContact CD2-CG 4.21Å; L312-Y377 HydrophobicContact CD1-CD1 4.15Å; L312-Y377 HydrophobicContact CD1-CG 4.04Å; I337-Y377 HydrophobicContact CG2-CD1 4.33Å; I337-Y377 HydrophobicContact CG2-CE1 4.43Å; I338-Y377 HydrophobicContact CD1-CE1 4.48Å; I338-Y377 HydrophobicContact CD1-CE2 4.41Å; I338-Y377 HydrophobicContact CG1-CE1 4.48Å; I349-Y377 WeakPolarHBondContact CD1-OH 3.32Å; I349-Y377 HydrophobicContact CG2-CE1 4.26Å; A373-Y377 PolarHBondContact O-N 3.35Å; A373-Y377 VanDerWaalsContact O-N 3.08Å; L374-Y377 PolarHBondContact O-N 3.02Å; R375-Y377 VanDerWaalsContact C-N 3.34Å; R375-Y377 PolarHBondContact O-N 3.19Å; Y377-D379 PolarHBondContact O-N 2.71Å; Y377-I380 PolarHBondContact O-N 2.82Å; Y377-M381 HydrophobicContact CD1-CE 3.61Å; Y377-M381 HydrophobicContact CD1-SD 4.12Å; Y377-M381 HydrophobicContact CD2-CG 4.46Å; Y377-M381 HydrophobicContact CE1-CE 3.75Å; Y377-M381 HydrophobicContact CE1-SD 3.69Å; Y377-M381 HydrophobicContact CE2-CG 4.27Å; Y377-M381 HydrophobicContact CE2-SD 4.32Å; Y377-M381 HydrophobicContact CG-CE 4.16Å; Y377-M381 VanDerWaalsContact O-CG 3.32Å; Y377-M381 WeakPolarHBondContact O-CG 3.45Å; Y377-M381 PolarHBondContact O-N 3.49Å
378	V	98.3	Very high	98.4	Very high	30 Å²	30	50.9 Å²	50.9	18%	0.182	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-40.3	175.7	171.6	0	0	0	0	112	Y351 L374 R375 M381 N382	Y351-V378 HydrophobicContact CE1-CG2 4.05Å; Y351-V378 HydrophobicContact CE2-CG2 4.5Å; Y351-V378 WeakPolarHBondContact OH-CG2 3.37Å; L374-V378 VanDerWaalsContact O-CG2 3.3Å; L374-V378 WeakPolarHBondContact O-CG2 3.49Å; L374-V378 PolarHBondContact O-N 3.34Å; R375-V378 PolarHBondContact O-N 3.23Å; V378-M381 HydrophobicContact CB-CE 4.32Å; V378-M381 HydrophobicContact CG2-CE 3.8Å; V378-M381 PolarHBondContact O-N 3.2Å; V378-N382 PolarHBondContact O-N 3.2Å; V378-N382 VanDerWaalsContact O-N 3.1Å; V378-N382 PolarHBondContact O-ND2 3.47Å
379	D	98.6	Very high	98.4	Very high	68 Å²	68	47 Å²	47	36%	0.364	23%	0.234	S	C	.	.	H	α-helix	trans	-65.5	-41	176.3	-72.9	-34.4	0	0	0	111.4	R375 A376 Y377 N382 R383	R375-D379 IonicContact CZ-OD1 3.34Å; R375-D379 VanDerWaalsContact CZ-OD1 3.26Å; R375-D379 IonicContact CZ-OD2 3.92Å; R375-D379 IonicContact NE-OD1 3.51Å; R375-D379 PolarHBondContact NE-OD1 2.76Å; R375-D379 IonicContact NE-OD2 3.66Å; R375-D379 PolarHBondContact NE-OD2 3.26Å; R375-D379 IonicContact NH2-OD1 2.72Å; R375-D379 PolarHBondContact NH2-OD1 2.81Å; R375-D379 IonicContact NH2-OD2 2.79Å; R375-D379 PolarHBondContact NH2-OD2 2.86Å; R375-D379 WeakPolarHBondContact O-CB 3.46Å; R375-D379 PolarHBondContact O-N 2.78Å; A376-D379 PolarHBondContact O-N 2.81Å; Y377-D379 PolarHBondContact O-N 2.71Å; D379-N382 PolarHBondContact O-N 3.05Å; D379-R383 WeakPolarHBondContact O-CG 3.46Å; D379-R383 PolarHBondContact O-N 3.34Å
380	I	98.6	Very high	98.3	Very high	4 Å²	4	46 Å²	46	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-58	-49.2	171.4	-76.1	166	0	0	0	111.3	M297 Q300 L301 A376 Y377 N382 R383 N386	M297-I380 HydrophobicContact CB-CG2 4.02Å; M297-I380 HydrophobicContact CG-CG2 4.34Å; M297-I380 HydrophobicContact SD-CG2 3.63Å; Q300-I380 HydrophobicContact CB-CG2 4.23Å; Q300-I380 HydrophobicContact CG-CD1 4.41Å; Q300-I380 HydrophobicContact CG-CG2 4.13Å; L301-I380 HydrophobicContact CB-CD1 3.92Å; L301-I380 HydrophobicContact CD1-CD1 3.72Å; L301-I380 HydrophobicContact CG-CD1 4.46Å; A376-I380 WeakPolarHBondContact O-CG1 3.31Å; A376-I380 PolarHBondContact O-N 3.19Å; Y377-I380 PolarHBondContact O-N 2.82Å; I380-N382 PolarHBondContact O-N 2.9Å; I380-R383 WeakPolarHBondContact O-CB 3.2Å; I380-R383 WeakPolarHBondContact O-CG 3.32Å; I380-R383 PolarHBondContact O-N 2.91Å; I380-N386 PolarHBondContact O-ND2 2.92Å
381	M	98.1	Very high	98.2	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-62.9	-26.7	-179.4	-72.2	-172.2	-66.4	0	0	113.7	L261 V292 M297 Y351 Y377 V378 V387 L406	L261-M381 HydrophobicContact CD1-CB 3.99Å; L261-M381 VanDerWaalsContact CD1-O 3.25Å; L261-M381 WeakPolarHBondContact CD1-O 3.27Å; V292-M381 HydrophobicContact CG1-CB 4.3Å; V292-M381 HydrophobicContact CG1-CG 4.24Å; V292-M381 HydrophobicContact CG1-SD 4.39Å; M297-M381 HydrophobicContact CB-CG 4.06Å; M297-M381 HydrophobicContact CG-CG 3.96Å; Y351-M381 HydrophobicContact CD1-CE 4.23Å; Y351-M381 HydrophobicContact CE1-CE 4.19Å; Y377-M381 HydrophobicContact CD1-CE 3.61Å; Y377-M381 HydrophobicContact CD1-SD 4.12Å; Y377-M381 HydrophobicContact CD2-CG 4.46Å; Y377-M381 HydrophobicContact CE1-CE 3.75Å; Y377-M381 HydrophobicContact CE1-SD 3.69Å; Y377-M381 HydrophobicContact CE2-CG 4.27Å; Y377-M381 HydrophobicContact CE2-SD 4.32Å; Y377-M381 HydrophobicContact CG-CE 4.16Å; Y377-M381 VanDerWaalsContact O-CG 3.32Å; Y377-M381 WeakPolarHBondContact O-CG 3.45Å; Y377-M381 PolarHBondContact O-N 3.49Å; V378-M381 HydrophobicContact CB-CE 4.32Å; V378-M381 HydrophobicContact CG2-CE 3.8Å; V378-M381 PolarHBondContact O-N 3.2Å; M381-V387 WeakPolarHBondContact O-CG2 3.4Å; M381-L406 HydrophobicContact CE-CD2 4.11Å; M381-L406 HydrophobicContact SD-CD1 3.52Å; M381-L406 VanDerWaalsContact SD-CD1 3.52Å; M381-L406 HydrophobicContact SD-CD2 3.53Å; M381-L406 VanDerWaalsContact SD-CD2 3.53Å; M381-L406 HydrophobicContact SD-CG 4.03Å
382	N	97.4	Very high	98.1	Very high	68 Å²	68	45.1 Å²	45.1	36%	0.364	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	5.5	-178.9	-74.8	-95.3	0	0	0	113.7	V378 D379 I380	V378-N382 PolarHBondContact O-N 3.2Å; V378-N382 VanDerWaalsContact O-N 3.1Å; V378-N382 PolarHBondContact O-ND2 3.47Å; D379-N382 PolarHBondContact O-N 3.05Å; I380-N382 PolarHBondContact O-N 2.9Å
383	R	98.3	Very high	98	Very high	68 Å²	68	47.7 Å²	47.7	26%	0.257	24%	0.243	S	C	.	.			trans	-64.1	133	174	-65.7	-176.9	-174.8	166.5	1.8	110.2	E304 D379 I380 E385 N386 V387	E304-R383 VanDerWaalsContact CD-NH1 3.31Å; E304-R383 IonicContact OE1-CZ 3.89Å; E304-R383 IonicContact OE1-NH1 3.28Å; E304-R383 PolarHBondContact OE1-NH1 3.38Å; E304-R383 IonicContact OE2-CZ 2.35Å; E304-R383 VanDerWaalsContact OE2-CZ 3.29Å; E304-R383 IonicContact OE2-NH1 3.42Å; E304-R383 PolarHBondContact OE2-NH1 3.14Å; E304-R383 IonicContact OE2-NH2 3.32Å; E304-R383 PolarHBondContact OE2-NH2 3.09Å; D379-R383 WeakPolarHBondContact O-CG 3.46Å; D379-R383 PolarHBondContact O-N 3.34Å; I380-R383 WeakPolarHBondContact O-CB 3.2Å; I380-R383 WeakPolarHBondContact O-CG 3.32Å; I380-R383 PolarHBondContact O-N 2.91Å; R383-E385 HydrophobicContact CB-CG 4.14Å; R383-E385 PolarHBondContact O-N 3.49Å; R383-E385 VanDerWaalsContact O-N 3.17Å; R383-N386 HydrophobicContact CB-CB 4.37Å; R383-N386 WeakPolarHBondContact O-CB 3.35Å; R383-N386 PolarHBondContact O-N 2.97Å; R383-V387 PolarHBondContact O-N 3.45Å
384	P	97.5	Very high	97.9	Very high	109 Å²	109	50.8 Å²	50.8	71%	0.708	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-32.1	-177.6	-27.2	35.6	0	0	0	114.4	A178 N386	A178-P384 WeakPolarHBondContact CB-O 3.34Å; P384-N386 PolarHBondContact O-N 2.94Å
385	E	97.9	Very high	97.9	Very high	107 Å²	107	50.6 Å²	50.6	50%	0.5	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.9	175.1	60.6	-91.1	-150.1	0	0	113.9	D177 A178 R383	D177-E385 WeakPolarHBondContact CB-O 3.43Å; A178-E385 WeakPolarHBondContact CB-O 3.26Å; A178-E385 PolarHBondContact N-O 3.39Å; R383-E385 HydrophobicContact CB-CG 4.14Å; R383-E385 PolarHBondContact O-N 3.49Å; R383-E385 VanDerWaalsContact O-N 3.17Å
386	N	98.3	Very high	97.9	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.032	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-21.7	-176.3	-69.9	-19.1	0	0	0	113.5	V292 M297 Q300 I380 R383 P384	V292-N386 HydrophobicContact CG2-CB 4.29Å; M297-N386 HydrophobicContact CE-CB 3.84Å; M297-N386 VanDerWaalsContact CE-CG 3.47Å; M297-N386 HydrophobicContact SD-CB 3.6Å; M297-N386 PolarHBondContact SD-ND2 2.91Å; Q300-N386 PolarHBondContact OE1-ND2 3.32Å; I380-N386 PolarHBondContact O-ND2 2.92Å; R383-N386 HydrophobicContact CB-CB 4.37Å; R383-N386 WeakPolarHBondContact O-CB 3.35Å; R383-N386 PolarHBondContact O-N 2.97Å; P384-N386 PolarHBondContact O-N 2.94Å
387	V	98.1	Very high	97.9	Very high	21 Å²	21	42.4 Å²	42.4	13%	0.127	23%	0.227	C	C	.	.			trans	-96.1	118.3	-171.3	-178.9	0	0	0	0	112.6	A178 L261 E290 M381 R383 T389	A178-V387 WeakPolarHBondContact CB-O 3.43Å; L261-V387 HydrophobicContact CD1-CG2 4.31Å; E290-V387 HydrophobicContact CB-CG1 3.95Å; E290-V387 HydrophobicContact CG-CG1 4.25Å; M381-V387 WeakPolarHBondContact O-CG2 3.4Å; R383-V387 PolarHBondContact O-N 3.45Å; V387-T389 PolarHBondContact O-N 2.75Å
388	V	98.4	Very high	97.9	Very high	11 Å²	11	42.4 Å²	42.4	7%	0.067	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	115.7	168.6	-177.5	0	0	0	0	108.8	W176 D177 L180 I182 E290 A291 Y390	W176-V388 HydrophobicContact CE3-CG2 3.78Å; W176-V388 HydrophobicContact CH2-CG2 4.45Å; W176-V388 HydrophobicContact CZ3-CB 4.33Å; W176-V388 HydrophobicContact CZ3-CG2 3.5Å; W176-V388 VanDerWaalsContact CZ3-CG2 3.5Å; D177-V388 WeakPolarHBondContact O-CG2 3.44Å; L180-V388 HydrophobicContact CB-CG2 3.79Å; L180-V388 HydrophobicContact CD2-CG2 4.5Å; I182-V388 HydrophobicContact CD1-CG1 3.95Å; I182-V388 HydrophobicContact CG1-CG1 4.13Å; E290-V388 CarbonylContact C-O 3.54Å; E290-V388 WeakPolarHBondContact CA-O 3.37Å; A291-V388 PolarHBondContact N-O 2.78Å; A291-V388 PolarHBondContact O-N 2.74Å; V388-Y390 HydrophobicContact CG1-CD1 4.31Å
389	T	97.8	Very high	97.9	Very high	66 Å²	66	41 Å²	41	41%	0.405	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.7	172.5	-58.8	0	0	0	0	110.3	E288 S289 V387	E288-T389 HydrophobicContact CB-CG2 3.95Å; S289-T389 WeakPolarHBondContact O-CA 3.43Å; V387-T389 PolarHBondContact O-N 2.75Å
390	Y	96.9	Very high	97.9	Very high	27 Å²	27	37.9 Å²	37.9	11%	0.106	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	159	178.2	62.3	-83.9	0	0	0	112.9	I182 I209 S289 A291 V388 M392 V398	I182-Y390 HydrophobicContact CD1-CD1 3.51Å; I182-Y390 HydrophobicContact CD1-CD2 4.35Å; I182-Y390 HydrophobicContact CD1-CE1 3.86Å; I182-Y390 HydrophobicContact CD1-CG 3.78Å; I209-Y390 HydrophobicContact CD1-CE1 4.36Å; S289-Y390 VanDerWaalsContact CB-CE2 3.47Å; S289-Y390 PolarHBondContact N-O 3.49Å; S289-Y390 PolarHBondContact O-N 3.36Å; A291-Y390 HydrophobicContact CB-CE1 3.98Å; V388-Y390 HydrophobicContact CG1-CD1 4.31Å; Y390-M392 HydrophobicContact CD2-CG 4.25Å; Y390-M392 HydrophobicContact CE2-CG 4Å; Y390-M392 HydrophobicContact CE2-SD 4.4Å; Y390-V398 HydrophobicContact CE2-CG2 3.93Å
391	T	95.8	Very high	97.9	Very high	79 Å²	79	37.8 Å²	37.8	49%	0.485	20%	0.202	S	C	.	.			trans	-115.9	129	178.6	-50	0	0	0	0	110.3	H211 Q282	H211-T391 PolarHBondContact CE1-O 3.27Å; Q282-T391 HydrophobicContact CG-CG2 4.37Å
392	M	96.7	Very high	98	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-88.6	129.4	174	-59.6	171	72.3	0	0	110.5	L277 C279 Q282 Y390 D396 V398	L277-M392 HydrophobicContact CB-CE 4.22Å; L277-M392 WeakPolarHBondContact O-CE 3.39Å; C279-M392 HydrophobicContact CB-CB 3.79Å; C279-M392 HydrophobicContact CB-CE 4.06Å; Q282-M392 WeakPolarHBondContact CG-O 3.26Å; Q282-M392 PolarHBondContact NE2-O 2.95Å; Y390-M392 HydrophobicContact CD2-CG 4.25Å; Y390-M392 HydrophobicContact CE2-CG 4Å; Y390-M392 HydrophobicContact CE2-SD 4.4Å; M392-D396 WeakPolarHBondContact CA-OD2 3.46Å; M392-D396 HydrophobicContact CB-CB 4.22Å; M392-V398 HydrophobicContact CE-CB 4.09Å; M392-V398 HydrophobicContact CE-CG2 3.91Å; M392-V398 HydrophobicContact CG-CG2 4.2Å; M392-V398 HydrophobicContact SD-CG2 4.19Å
393	K	96.8	Very high	98	Very high	147 Å²	147	36.9 Å²	36.9	64%	0.639	19%	0.193	S	C	*	.	P	Polyproline II helix	trans	-88.8	158.2	171.2	-61.8	177.7	-177.5	176.9	0	110.3	C279 G395 D396	C279-K393 VanDerWaalsContact CB-O 3.29Å; C279-K393 WeakPolarHBondContact CB-O 3.47Å; K393-G395 PolarHBondContact O-N 2.92Å; K393-D396 PolarHBondContact N-OD2 2.9Å; K393-D396 WeakPolarHBondContact O-CB 3.45Å; K393-D396 PolarHBondContact O-N 3.27Å
394	P	97.7	Very high	98.1	Very high	65 Å²	65	33.7 Å²	33.7	42%	0.422	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	130.3	167.7	-28.5	37.3	0	0	0	111.5	A217 C279	A217-P394 HydrophobicContact CB-CB 3.85Å; C279-P394 CarbonylContact O-C 3.49Å; C279-P394 VanDerWaalsContact O-CA 3.28Å; C279-P394 WeakPolarHBondContact O-CA 3.38Å
395	G	98.2	Very high	98.1	Very high	4 Å²	4	28.5 Å²	28.5	4%	0.041	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	3.7	-174.6	0	0	0	0	0	115.6	G214 A215 C279 K393	G214-G395 PolarHBondContact N-O 2.82Å; A215-G395 WeakPolarHBondContact CB-O 3.45Å; A215-G395 PolarHBondContact N-O 3.49Å; A215-G395 WeakPolarHBondContact O-CA 3.36Å; C279-G395 PolarHBondContact O-N 3.14Å; K393-G395 PolarHBondContact O-N 2.92Å
396	D	98.6	Very high	98.2	Very high	9 Å²	9	23.4 Å²	23.4	5%	0.048	12%	0.123	C	C	.	.			trans	-85.6	130.7	168.5	-76.4	-11.4	0	0	0	110.7	H211 K213 H278 C279 M392 K393	H211-D396 IonicContact CE1-OD2 3.94Å; H211-D396 PolarHBondContact CE1-OD2 2.94Å; H211-D396 VanDerWaalsContact CE1-OD2 3.28Å; H211-D396 WeakPolarHBondContact NE2-CB 3.46Å; H211-D396 IonicContact NE2-OD1 2.83Å; H211-D396 PolarHBondContact NE2-OD1 3.04Å; H211-D396 IonicContact NE2-OD2 3.53Å; H211-D396 PolarHBondContact NE2-OD2 2.7Å; K213-D396 WeakPolarHBondContact CD-OD1 3.48Å; K213-D396 IonicContact NZ-OD1 2.76Å; K213-D396 PolarHBondContact NZ-OD1 2.96Å; K213-D396 IonicContact NZ-OD2 3.36Å; K213-D396 PolarHBondContact NZ-OD2 2.88Å; H278-D396 PolarHBondContact CD2-O 3.27Å; C279-D396 PolarHBondContact N-O 2.85Å; M392-D396 WeakPolarHBondContact CA-OD2 3.46Å; M392-D396 HydrophobicContact CB-CB 4.22Å; K393-D396 PolarHBondContact N-OD2 2.9Å; K393-D396 WeakPolarHBondContact O-CB 3.45Å; K393-D396 PolarHBondContact O-N 3.27Å
397	I	98.8	Very high	98.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.7	165.8	-50	-176.4	0	0	0	108.8	F187 H211 L212 A215 Q221 V222 L225 F276 L277 H278 T399	F187-I397 HydrophobicContact CD2-CD1 3.71Å; F187-I397 HydrophobicContact CE2-CD1 3.49Å; F187-I397 VanDerWaalsContact CE2-CD1 3.49Å; F187-I397 HydrophobicContact CZ-CD1 4.4Å; H211-I397 CarbonylContact C-O 3.43Å; L212-I397 HydrophobicContact CB-CB 4.23Å; L212-I397 PolarHBondContact N-O 2.9Å; L212-I397 PolarHBondContact O-N 3.03Å; A215-I397 HydrophobicContact CB-CD1 3.9Å; A215-I397 HydrophobicContact CB-CG1 3.97Å; Q221-I397 HydrophobicContact CB-CD1 4.13Å; V222-I397 HydrophobicContact CG1-CG2 4.5Å; L225-I397 HydrophobicContact CD2-CD1 4.36Å; L225-I397 HydrophobicContact CD2-CG2 4.2Å; F276-I397 HydrophobicContact CB-CG2 4.46Å; L277-I397 CarbonylContact O-C 3.23Å; L277-I397 WeakPolarHBondContact O-CA 3.39Å; H278-I397 HydrophobicContact CB-CD1 4.29Å; H278-I397 HydrophobicContact CB-CG1 3.86Å; I397-T399 HydrophobicContact CG2-CG2 4.09Å
398	V	98.8	Very high	98.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.4	169	174	0	0	0	0	108.7	I209 V210 H211 F276 L277 Y390 M392 F400	I209-V398 HydrophobicContact CD1-CG1 3.75Å; I209-V398 HydrophobicContact CG1-CG1 3.8Å; V210-V398 WeakPolarHBondContact O-CA 3.19Å; H211-V398 HydrophobicContact CB-CG2 4.33Å; H211-V398 VanDerWaalsContact CD2-CG2 3.5Å; H211-V398 WeakPolarHBondContact CD2-CG2 3.28Å; F276-V398 WeakPolarHBondContact CA-O 3.04Å; L277-V398 PolarHBondContact N-O 3.46Å; L277-V398 PolarHBondContact O-N 3.39Å; Y390-V398 HydrophobicContact CE2-CG2 3.93Å; M392-V398 HydrophobicContact CE-CB 4.09Å; M392-V398 HydrophobicContact CE-CG2 3.91Å; M392-V398 HydrophobicContact CG-CG2 4.2Å; M392-V398 HydrophobicContact SD-CG2 4.19Å; V398-F400 HydrophobicContact CG1-CD1 4.14Å
399	T	98.9	Very high	97.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.7	-179.7	67.9	0	0	0	0	108.4	W200 L204 I209 V210 L212 L225 Q275 F276 I397	W200-T399 HydrophobicContact CZ2-CG2 4.05Å; W200-T399 PolarHBondContact NE1-OG1 2.93Å; L204-T399 WeakPolarHBondContact CD1-O 3.46Å; I209-T399 WeakPolarHBondContact CA-O 3.49Å; V210-T399 PolarHBondContact N-O 3.01Å; V210-T399 PolarHBondContact O-N 2.79Å; L212-T399 HydrophobicContact CD1-CG2 4.15Å; L212-T399 HydrophobicContact CG-CG2 4.43Å; L225-T399 HydrophobicContact CD2-CG2 3.88Å; Q275-T399 CarbonylContact O-C 3.6Å; Q275-T399 WeakPolarHBondContact O-CA 3.47Å; F276-T399 HydrophobicContact CD1-CG2 3.39Å; F276-T399 HydrophobicContact CE1-CG2 3.55Å; F276-T399 HydrophobicContact CG-CG2 4.07Å; F276-T399 HydrophobicContact CZ-CG2 4.33Å; I397-T399 HydrophobicContact CG2-CG2 4.09Å
400	F	98.9	Very high	97.8	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.009	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.4	-174	60.8	-82.1	0	0	0	114.7	G208 I209 V274 Q275 L277 V398 N402 L405 H407	G208-F400 CarbonylContact O-C 3.58Å; G208-F400 WeakPolarHBondContact O-CA 3.46Å; G208-F400 WeakPolarHBondContact O-CB 3.41Å; I209-F400 HydrophobicContact CB-CB 4.16Å; I209-F400 HydrophobicContact CG1-CB 4.15Å; V274-F400 WeakPolarHBondContact CA-O 3.3Å; Q275-F400 HydrophobicContact CB-CD1 4.3Å; Q275-F400 HydrophobicContact CB-CD2 4.36Å; Q275-F400 HydrophobicContact CB-CE1 3.84Å; Q275-F400 HydrophobicContact CB-CE2 3.91Å; Q275-F400 HydrophobicContact CB-CZ 3.65Å; Q275-F400 HydrophobicContact CG-CE1 3.93Å; Q275-F400 HydrophobicContact CG-CE2 4.48Å; Q275-F400 HydrophobicContact CG-CZ 3.78Å; Q275-F400 PolarHBondContact N-O 2.92Å; Q275-F400 VanDerWaalsContact NE2-CZ 3.34Å; Q275-F400 WeakPolarHBondContact O-CD1 3.27Å; Q275-F400 PolarHBondContact O-N 3.42Å; L277-F400 HydrophobicContact CD1-CE1 3.99Å; L277-F400 HydrophobicContact CD1-CZ 4.32Å; L277-F400 HydrophobicContact CG-CE1 4.21Å; V398-F400 HydrophobicContact CG1-CD1 4.14Å; F400-N402 PolarHBondContact O-N 2.9Å; F400-L405 HydrophobicContact CB-CD2 4.17Å; F400-L405 HydrophobicContact CD2-CB 4.41Å; F400-H407 HydrophobicContact CE2-CB 4.11Å; F400-H407 AromaticContact CE2-CG 3.73Å; F400-H407 AromaticContact CE2-ND1 3.82Å; F400-H407 HydrophobicContact CZ-CB 4.27Å; F400-H407 AromaticContact CZ-CD2 3.57Å; F400-H407 AromaticContact CZ-CG 3.7Å; F400-H407 AromaticContact CZ-NE2 3.86Å
401	D	98.9	Very high	97.5	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	102.9	174	-172.4	-12.2	0	0	0	109.8	G208 W403 R404 L405 W429	G208-D401 PolarHBondContact O-N 2.87Å; D401-W403 VanDerWaalsContact C-N 3.26Å; D401-W403 PolarHBondContact O-N 3.17Å; D401-W403 WeakPolarHBondContact OD1-CB 3.26Å; D401-W403 PolarHBondContact OD1-N 2.83Å; D401-W403 VanDerWaalsContact OD1-N 3.07Å; D401-R404 HydrophobicContact CB-CB 3.95Å; D401-R404 VanDerWaalsContact CG-CB 3.44Å; D401-R404 PolarHBondContact O-N 3.37Å; D401-R404 PolarHBondContact OD1-N 2.58Å; D401-R404 WeakPolarHBondContact OD2-CB 3.37Å; D401-L405 HydrophobicContact CB-CD1 4.4Å; D401-L405 PolarHBondContact O-N 3.3Å; D401-W429 HydrophobicContact CB-CZ2 3.73Å; D401-W429 VanDerWaalsContact CG-CZ2 3.46Å; D401-W429 PolarHBondContact OD1-NE1 3.44Å
402	N	98.9	Very high	97.3	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-14.1	-178.8	-177.8	65.4	0	0	0	112.7	T263 D264 P272 G273 Q275 F400	T263-N402 WeakPolarHBondContact CB-O 3.47Å; T263-N402 VanDerWaalsContact CG2-O 3.29Å; T263-N402 WeakPolarHBondContact CG2-O 3.49Å; D264-N402 PolarHBondContact N-OD1 2.9Å; D264-N402 PolarHBondContact O-ND2 2.91Å; P272-N402 WeakPolarHBondContact O-CB 3.43Å; P272-N402 PolarHBondContact O-ND2 3.39Å; G273-N402 PolarHBondContact O-N 2.79Å; Q275-N402 HydrophobicContact CB-CB 4.38Å; F400-N402 PolarHBondContact O-N 2.9Å
403	W	98.8	Very high	96.8	Very high	49 Å²	49	27 Å²	27	19%	0.186	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-24	170.5	-68.4	-4.6	0	0	0	112.3	F270 A271 P272 F295 R348 I349 D401 W429	F270-W403 HydrophobicContact CD2-CZ2 4.27Å; F270-W403 HydrophobicContact CE1-CZ2 4.28Å; F270-W403 AromaticContact CE2-CH2 3.67Å; F270-W403 HydrophobicContact CE2-CH2 3.67Å; F270-W403 AromaticContact CE2-CZ2 3.47Å; F270-W403 HydrophobicContact CE2-CZ2 3.47Å; F270-W403 VanDerWaalsContact CE2-CZ2 3.47Å; F270-W403 AromaticContact CZ-CH2 3.66Å; F270-W403 HydrophobicContact CZ-CH2 3.66Å; F270-W403 AromaticContact CZ-CZ2 3.48Å; F270-W403 HydrophobicContact CZ-CZ2 3.48Å; F270-W403 VanDerWaalsContact CZ-CZ2 3.48Å; A271-W403 PolarHBondContact O-NE1 2.91Å; P272-W403 VanDerWaalsContact O-CD1 3.26Å; P272-W403 PolarHBondContact O-NE1 3.09Å; F295-W403 WeakPolarHBondContact CE1-O 3.48Å; R348-W403 CarbonylContact C-O 3.54Å; R348-W403 WeakPolarHBondContact CA-O 3.5Å; R348-W403 HydrophobicContact CB-CB 4.14Å; R348-W403 HydrophobicContact CB-CG 4.36Å; R348-W403 HydrophobicContact CG-CB 3.8Å; R348-W403 HydrophobicContact CG-CD2 4.44Å; R348-W403 HydrophobicContact CG-CG 3.78Å; I349-W403 PolarHBondContact N-O 2.99Å; D401-W403 VanDerWaalsContact C-N 3.26Å; D401-W403 PolarHBondContact O-N 3.17Å; D401-W403 WeakPolarHBondContact OD1-CB 3.26Å; D401-W403 PolarHBondContact OD1-N 2.83Å; D401-W403 VanDerWaalsContact OD1-N 3.07Å; W403-W429 AromaticContact CD2-CD1 3.85Å; W403-W429 AromaticContact CE3-CD1 3.59Å; W403-W429 HydrophobicContact CE3-CG 4.5Å; W403-W429 HydrophobicContact CH2-CB 4.24Å; W403-W429 HydrophobicContact CZ3-CB 4.21Å; W403-W429 AromaticContact CZ3-CD1 3.81Å; W403-W429 HydrophobicContact CZ3-CG 4.34Å
404	R	98.7	Very high	96	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-52.1	-176.9	179.2	-178	170.3	-173	-4.1	114	Y174 R206 V207 D293 G294 F295 D401	Y174-R404 PolarHBondContact O-NH2 3.49Å; R206-R404 PolarHBondContact O-NH1 3.09Å; V207-R404 VanDerWaalsContact C-NH1 3.28Å; V207-R404 PolarHBondContact O-NH1 3.29Å; D293-R404 WeakPolarHBondContact OD1-CG 3.48Å; D293-R404 IonicContact OD1-CZ 2.75Å; D293-R404 IonicContact OD1-NE 2.71Å; D293-R404 PolarHBondContact OD1-NE 3.43Å; D293-R404 IonicContact OD1-NH2 3.24Å; D293-R404 IonicContact OD2-CZ 2.7Å; D293-R404 IonicContact OD2-NE 3.5Å; D293-R404 IonicContact OD2-NH2 3.94Å; D293-R404 PolarHBondContact OD2-NH2 2.9Å; G294-R404 WeakPolarHBondContact CA-O 3.38Å; G294-R404 PolarHBondContact N-O 3.24Å; F295-R404 HydrophobicContact CB-CG 4.32Å; F295-R404 HydrophobicContact CD1-CB 4.26Å; F295-R404 HydrophobicContact CD1-CG 3.97Å; F295-R404 HydrophobicContact CD2-CB 4.2Å; F295-R404 HydrophobicContact CD2-CG 3.62Å; F295-R404 HydrophobicContact CE1-CB 3.91Å; F295-R404 HydrophobicContact CE1-CG 4.12Å; F295-R404 HydrophobicContact CE2-CB 3.83Å; F295-R404 HydrophobicContact CE2-CG 3.77Å; F295-R404 HydrophobicContact CG-CB 4.39Å; F295-R404 HydrophobicContact CG-CG 3.71Å; F295-R404 HydrophobicContact CZ-CB 3.66Å; F295-R404 HydrophobicContact CZ-CG 4.01Å; D401-R404 HydrophobicContact CB-CB 3.95Å; D401-R404 VanDerWaalsContact CG-CB 3.44Å; D401-R404 PolarHBondContact O-N 3.37Å; D401-R404 PolarHBondContact OD1-N 2.58Å; D401-R404 WeakPolarHBondContact OD2-CB 3.37Å
405	L	98.7	Very high	95.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	137.9	-174.2	-87.4	71.9	0	0	0	110.5	W176 G208 I209 T263 A291 V292 F400 D401	W176-L405 HydrophobicContact CH2-CD2 4.08Å; W176-L405 HydrophobicContact CH2-CG 4.16Å; W176-L405 HydrophobicContact CZ2-CD1 3.98Å; W176-L405 HydrophobicContact CZ2-CD2 3.75Å; W176-L405 HydrophobicContact CZ2-CG 3.74Å; G208-L405 WeakPolarHBondContact O-CD1 3.37Å; I209-L405 HydrophobicContact CB-CD2 3.67Å; I209-L405 HydrophobicContact CD1-CD2 3.99Å; I209-L405 HydrophobicContact CG1-CD2 4.36Å; I209-L405 HydrophobicContact CG2-CD2 3.99Å; T263-L405 WeakPolarHBondContact CG2-O 3.46Å; A291-L405 HydrophobicContact CB-CD2 4.35Å; V292-L405 WeakPolarHBondContact O-CA 3.48Å; F400-L405 HydrophobicContact CB-CD2 4.17Å; F400-L405 HydrophobicContact CD2-CB 4.41Å; D401-L405 HydrophobicContact CB-CD1 4.4Å; D401-L405 PolarHBondContact O-N 3.3Å
406	L	98.8	Very high	94	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	135.9	158.6	-53.7	93.2	0	0	0	108.3	L261 H262 T263 A291 V292 I349 Y351 M381	L261-L406 HydrophobicContact CB-CB 4.01Å; H262-L406 CarbonylContact O-C 3.6Å; H262-L406 WeakPolarHBondContact O-CA 3.44Å; T263-L406 HydrophobicContact CG2-CD2 4.44Å; T263-L406 HydrophobicContact CG2-CG 3.97Å; A291-L406 WeakPolarHBondContact CA-O 3.37Å; V292-L406 HydrophobicContact CG1-CB 3.86Å; V292-L406 HydrophobicContact CG1-CD1 4Å; V292-L406 PolarHBondContact N-O 3.48Å; V292-L406 PolarHBondContact O-N 3.06Å; V292-L406 VanDerWaalsContact O-N 3.08Å; I349-L406 HydrophobicContact CG2-CD1 4.14Å; I349-L406 HydrophobicContact CG2-CD2 4.08Å; I349-L406 HydrophobicContact CG2-CG 4.27Å; Y351-L406 HydrophobicContact CD1-CD2 3.67Å; Y351-L406 HydrophobicContact CG-CD2 4.35Å; M381-L406 HydrophobicContact CE-CD2 4.11Å; M381-L406 HydrophobicContact SD-CD1 3.52Å; M381-L406 VanDerWaalsContact SD-CD1 3.52Å; M381-L406 HydrophobicContact SD-CD2 3.53Å; M381-L406 VanDerWaalsContact SD-CD2 3.53Å; M381-L406 HydrophobicContact SD-CG 4.03Å
407	H	98.6	Very high	92.9	Very high	20 Å²	20	34.6 Å²	34.6	9%	0.093	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	155.3	-176.3	75.9	-58.6	0	0	0	110.4	L261 H262 D264 E290 F400	L261-H407 CarbonylContact C-O 3.31Å; L261-H407 VanDerWaalsContact CA-O 3.3Å; L261-H407 WeakPolarHBondContact CA-O 3.35Å; H262-H407 AromaticContact CD2-CE1 3.83Å; H262-H407 AromaticContact CE1-CE1 3.84Å; H262-H407 PolarHBondContact CE1-O 3.18Å; H262-H407 PolarHBondContact N-O 3.25Å; H262-H407 PolarHBondContact ND1-O 3.36Å; H262-H407 AromaticContact NE2-CE1 3.51Å; H262-H407 AromaticContact NE2-NE2 3.84Å; H262-H407 PolarHBondContact O-N 3.16Å; H262-H407 PolarHBondContact O-ND1 2.81Å; D264-H407 IonicContact OD1-CE1 2.89Å; D264-H407 IonicContact OD2-CE1 3.65Å; D264-H407 IonicContact OD2-NE2 3.95Å; E290-H407 CarbonylContact O-C 3.48Å; E290-H407 WeakPolarHBondContact O-CA 3.37Å; F400-H407 HydrophobicContact CE2-CB 4.11Å; F400-H407 AromaticContact CE2-CG 3.73Å; F400-H407 AromaticContact CE2-ND1 3.82Å; F400-H407 HydrophobicContact CZ-CB 4.27Å; F400-H407 AromaticContact CZ-CD2 3.57Å; F400-H407 AromaticContact CZ-CG 3.7Å; F400-H407 AromaticContact CZ-NE2 3.86Å
408	G	96.4	Very high	91.6	Very high	5 Å²	5	39.9 Å²	39.9	5%	0.052	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	178.5	-173.3	0	0	0	0	0	111.4	S289 E290	S289-G408 WeakPolarHBondContact CA-O 3.24Å; E290-G408 PolarHBondContact N-O 3.15Å; E290-G408 PolarHBondContact O-N 2.75Å
409	R	95.3	Very high	91	Very high	9 Å²	9	43.1 Å²	43.1	3%	0.034	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	129.4	-175.8	-170.7	-163.7	63.3	-155.1	1.7	110.3	A253 T255 G257 K258 L259 E288	A253-R409 PolarHBondContact O-NH1 3.26Å; T255-R409 PolarHBondContact O-NH1 2.65Å; T255-R409 PolarHBondContact O-NH2 3.36Å; G257-R409 PolarHBondContact O-NH2 3.33Å; K258-R409 CarbonylContact C-O 3.6Å; K258-R409 WeakPolarHBondContact CA-O 3.44Å; K258-R409 WeakPolarHBondContact CG-O 3.45Å; L259-R409 HydrophobicContact CB-CB 4.14Å; L259-R409 HydrophobicContact CD1-CB 4.17Å; L259-R409 HydrophobicContact CG-CB 4.33Å; L259-R409 PolarHBondContact N-O 3.23Å; L259-R409 PolarHBondContact O-N 3.08Å; E288-R409 WeakPolarHBondContact O-CA 3.45Å
410	K	93.9	Very high	90.6	Very high	71 Å²	71	43.3 Å²	43.3	31%	0.309	22%	0.224	S	C	.	.			trans	-64.4	154.1	170.3	-64.3	-175.4	-175.3	172.3	0	110.5	E288 E290	E288-K410 HydrophobicContact CB-CD 4.26Å; E288-K410 PolarHBondContact O-N 3.02Å; E288-K410 WeakPolarHBondContact OE2-CB 3.29Å; E290-K410 HydrophobicContact CG-CG 4.29Å; E290-K410 WeakPolarHBondContact OE1-CE 3.29Å; E290-K410 IonicContact OE1-NZ 3.55Å
411	S	92.1	Very high	90.4	Very high	75 Å²	75	44.3 Å²	44.3	52%	0.524	23%	0.228	S	C	.	.			trans	-59.9	149.2	172.8	50.5	0	0	0	0	110.9	S256 G287	S256-S411 WeakPolarHBondContact O-CA 3.34Å; G287-S411 PolarHBondContact N-O 2.84Å
412	Y	90.1	Very high	90.3	Very high	15 Å²	15	44.4 Å²	44.4	6%	0.059	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-133.7	160.6	175.9	65.8	-86.5	0	0	0	111.6	T255 S256 A283 E285 S414 R420	T255-Y412 PolarHBondContact O-OH 2.86Å; S256-Y412 PolarHBondContact O-N 2.99Å; S256-Y412 VanDerWaalsContact O-N 3.11Å; A283-Y412 HydrophobicContact CB-CD2 3.84Å; A283-Y412 HydrophobicContact CB-CG 4.04Å; E285-Y412 WeakPolarHBondContact O-CA 3.49Å; E285-Y412 WeakPolarHBondContact O-CB 3.1Å; Y412-S414 PolarHBondContact O-N 2.85Å; Y412-R420 HydrophobicContact CD2-CB 4.2Å; Y412-R420 HydrophobicContact CE2-CB 3.73Å
413	I	86.1	Confident	90.3	Very high	92 Å²	92	44.5 Å²	44.5	47%	0.472	23%	0.229	S	C	.	.			trans	-88.1	105.2	174.2	-63.2	173.2	0	0	0	108.4	E285 R415	E285-I413 HydrophobicContact CB-CD1 4.37Å; E285-I413 PolarHBondContact O-N 2.96Å; E285-I413 VanDerWaalsContact O-N 3.1Å; E285-I413 WeakPolarHBondContact OE2-CD1 3.39Å; I413-R415 HydrophobicContact CG2-CG 4.09Å
414	S	81.6	Confident	90.3	Very high	37 Å²	37	42.2 Å²	42.2	26%	0.259	22%	0.22	S	C	.	.			trans	-67.1	136.3	170.4	-169.3	0	0	0	0	110.3	D245 Y412	D245-S414 WeakPolarHBondContact OD2-CB 3.34Å; D245-S414 PolarHBondContact OD2-OG 3.4Å; Y412-S414 PolarHBondContact O-N 2.85Å
415	R	79	Confident	90.3	Very high	78 Å²	78	42.2 Å²	42.2	29%	0.294	22%	0.22	S	C	.	.			trans	-139.1	135.6	176.3	-53.1	-172	-178.7	-173	1.9	110.3	E285 I413 D417 R418 L419	E285-R415 IonicContact OE1-CZ 3.21Å; E285-R415 IonicContact OE1-NH1 2.68Å; E285-R415 IonicContact OE1-NH2 2.76Å; E285-R415 PolarHBondContact OE1-NH2 2.81Å; E285-R415 IonicContact OE2-NH2 3.74Å; E285-R415 PolarHBondContact OE2-NH2 3.01Å; I413-R415 HydrophobicContact CG2-CG 4.09Å; R415-D417 WeakPolarHBondContact CB-OD1 3.11Å; R415-D417 PolarHBondContact O-N 2.78Å; R415-R418 CarbonylContact O-C 3.59Å; R415-R418 VanDerWaalsContact O-C 3.23Å; R415-R418 PolarHBondContact O-N 3.11Å; R415-L419 PolarHBondContact O-N 3.42Å
416	P	74.8	Confident	90.3	Very high	132 Å²	132	42.7 Å²	42.7	86%	0.857	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.9	-177	-25	34.7	0	0	0	114.8	R418	P416-R418 VanDerWaalsContact C-N 3.35Å
417	D	75.6	Confident	90.3	Very high	137 Å²	137	42.7 Å²	42.7	73%	0.733	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-17.7	177.7	65.3	-45.1	0	0	0	113.3	R415	R415-D417 WeakPolarHBondContact CB-OD1 3.11Å; R415-D417 PolarHBondContact O-N 2.78Å
418	R	71.8	Confident	90.3	Very high	111 Å²	111	43 Å²	43	42%	0.419	23%	0.225	S	C	.	.	S	Bend	trans	-155.5	82.2	-177.9	-166.5	179.6	174.4	164	1.3	112.3	N281 Q282 R415 P416	N281-R418 WeakPolarHBondContact ND2-CG 3.38Å; N281-R418 PolarHBondContact OD1-NE 2.94Å; N281-R418 PolarHBondContact OD1-NH2 2.35Å; Q282-R418 PolarHBondContact O-NE 3.48Å; R415-R418 CarbonylContact O-C 3.59Å; R415-R418 VanDerWaalsContact O-C 3.23Å; R415-R418 PolarHBondContact O-N 3.11Å; P416-R418 VanDerWaalsContact C-N 3.35Å
419	L	84.4	Confident	90.4	Very high	68 Å²	68	43.2 Å²	43.2	36%	0.356	22%	0.224	S	C	.	.			trans	-68.9	136.4	173.8	-62	175.5	0	0	0	111.5	N281 R415	N281-L419 PolarHBondContact ND2-O 3.3Å; R415-L419 PolarHBondContact O-N 3.42Å
420	R	91.4	Very high	90.5	Very high	5 Å²	5	48.1 Å²	48.1	2%	0.019	25%	0.251	C	S	.	.			trans	-69.9	127.5	164	-173.6	-175.5	-172	-87.8	10.3	108	Q244 N281 A283 G287 Y412 L422	Q244-R420 WeakPolarHBondContact CA-O 3.49Å; N281-R420 CarbonylContact O-C 3.54Å; N281-R420 WeakPolarHBondContact O-CA 3.32Å; A283-R420 HydrophobicContact CB-CB 4.1Å; A283-R420 HydrophobicContact CB-CG 4.29Å; G287-R420 PolarHBondContact O-NE 3.38Å; G287-R420 PolarHBondContact O-NH2 2.74Å; Y412-R420 HydrophobicContact CD2-CB 4.2Å; Y412-R420 HydrophobicContact CE2-CB 3.73Å; R420-L422 VanDerWaalsContact NH1-CD1 3.33Å
421	H	94.8	Very high	90.7	Very high	23 Å²	23	46.5 Å²	46.5	11%	0.106	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	114.7	-175.4	179.6	-160.7	0	0	0	109.5	Q242 V243 I280 N281	Q242-H421 PolarHBondContact OE1-NE2 3.43Å; V243-H421 WeakPolarHBondContact O-CA 3.1Å; I280-H421 HydrophobicContact CB-CB 4.49Å; I280-H421 VanDerWaalsContact CD1-CE1 3.44Å; I280-H421 WeakPolarHBondContact CD1-CE1 3.16Å; I280-H421 PolarHBondContact N-O 3.17Å; N281-H421 HydrophobicContact CB-CB 4.39Å; N281-H421 PolarHBondContact N-O 3.23Å; N281-H421 PolarHBondContact O-N 3.32Å
422	L	97.1	Very high	91.1	Very high	4 Å²	4	43 Å²	43	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	147.5	163	-42.2	178.9	0	0	0	109.8	V243 L277 H278 C279 R420	V243-L422 HydrophobicContact CB-CB 4.13Å; V243-L422 PolarHBondContact N-O 3.3Å; V243-L422 PolarHBondContact O-N 2.82Å; L277-L422 HydrophobicContact CB-CD1 4.49Å; L277-L422 HydrophobicContact CD1-CD1 4.4Å; L277-L422 HydrophobicContact CD2-CD1 4.4Å; H278-L422 CarbonylContact O-C 3.57Å; H278-L422 WeakPolarHBondContact O-CA 3.35Å; H278-L422 WeakPolarHBondContact O-CB 3.47Å; C279-L422 HydrophobicContact CB-CD2 3.74Å; R420-L422 VanDerWaalsContact NH1-CD1 3.33Å
423	E	98.5	Very high	91.5	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.019	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.2	162.5	-179.7	173.7	-133.1	0	0	109.2	Q219 G220 V222 T240 W241 Q242 H278 I280	Q219-E423 WeakPolarHBondContact CA-OE2 3.47Å; G220-E423 PolarHBondContact N-OE2 3.5Å; V222-E423 HydrophobicContact CG2-CG 3.78Å; T240-E423 WeakPolarHBondContact CB-OE1 3.26Å; T240-E423 PolarHBondContact OG1-OE1 2.94Å; W241-E423 WeakPolarHBondContact O-CA 3.31Å; Q242-E423 PolarHBondContact NE2-OE1 3.49Å; H278-E423 PolarHBondContact N-O 2.84Å; H278-E423 PolarHBondContact O-N 2.9Å; I280-E423 HydrophobicContact CD1-CB 3.84Å
424	G	98.3	Very high	92.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	150.6	178	0	0	0	0	0	112.8	T240 W241 F276	T240-G424 CarbonylContact C-O 3.43Å; T240-G424 WeakPolarHBondContact CA-O 3.47Å; T240-G424 VanDerWaalsContact CB-O 3.31Å; T240-G424 WeakPolarHBondContact CB-O 3.21Å; W241-G424 VanDerWaalsContact CZ2-C 3.47Å; W241-G424 PolarHBondContact N-O 3.43Å; W241-G424 PolarHBondContact O-N 3.38Å; F276-G424 VanDerWaalsContact O-CA 3.32Å; F276-G424 WeakPolarHBondContact O-CA 3.5Å
425	A	98.6	Very high	92.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	153.5	176.2	0	0	0	0	0	111.8	V222 L232 T240 F276	V222-A425 HydrophobicContact CB-CB 3.76Å; V222-A425 HydrophobicContact CG2-CB 3.52Å; L232-A425 HydrophobicContact CD2-CB 3.65Å; T240-A425 HydrophobicContact CG2-CB 4.29Å; F276-A425 HydrophobicContact CB-CB 4.35Å; F276-A425 PolarHBondContact N-O 2.91Å; F276-A425 PolarHBondContact O-N 3.15Å
426	Y	98.8	Very high	93.8	Very high	10 Å²	10	39 Å²	39	4%	0.039	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	150.3	-179.4	-69.8	-44.9	0	0	0	110.8	R233 T235 W241 D264 Y265 P272 V274 Q275	R233-Y426 PolarHBondContact N-O 2.83Å; T235-Y426 HydrophobicContact CG2-CD2 3.6Å; T235-Y426 HydrophobicContact CG2-CE2 4.09Å; W241-Y426 HydrophobicContact CE3-CE2 4.5Å; W241-Y426 AromaticContact CH2-CD1 3.75Å; W241-Y426 HydrophobicContact CH2-CD1 3.75Å; W241-Y426 AromaticContact CH2-CD2 3.04Å; W241-Y426 HydrophobicContact CH2-CD2 3.04Å; W241-Y426 AromaticContact CH2-CE1 3.83Å; W241-Y426 HydrophobicContact CH2-CE1 3.83Å; W241-Y426 AromaticContact CH2-CE2 3.11Å; W241-Y426 HydrophobicContact CH2-CE2 3.11Å; W241-Y426 AromaticContact CH2-CG 3.33Å; W241-Y426 HydrophobicContact CH2-CG 3.33Å; W241-Y426 AromaticContact CH2-CZ 3.5Å; W241-Y426 VanDerWaalsContact CH2-CZ 3.5Å; W241-Y426 HydrophobicContact CZ2-CD1 4.02Å; W241-Y426 AromaticContact CZ2-CD2 3.82Å; W241-Y426 HydrophobicContact CZ2-CD2 3.82Å; W241-Y426 AromaticContact CZ2-CE1 3.66Å; W241-Y426 HydrophobicContact CZ2-CE1 3.66Å; W241-Y426 AromaticContact CZ2-CE2 3.42Å; W241-Y426 HydrophobicContact CZ2-CE2 3.42Å; W241-Y426 VanDerWaalsContact CZ2-CE2 3.42Å; W241-Y426 HydrophobicContact CZ2-CG 4.06Å; W241-Y426 AromaticContact CZ2-CZ 3.31Å; W241-Y426 AromaticContact CZ3-CD2 3.56Å; W241-Y426 HydrophobicContact CZ3-CD2 3.56Å; W241-Y426 AromaticContact CZ3-CE2 3.71Å; W241-Y426 HydrophobicContact CZ3-CE2 3.71Å; W241-Y426 HydrophobicContact CZ3-CG 4.18Å; D264-Y426 HydrophobicContact CB-CE1 4.04Å; D264-Y426 WeakPolarHBondContact CB-OH 3.3Å; D264-Y426 PolarHBondContact OD2-OH 3.49Å; Y265-Y426 AromaticContact CD2-CE2 3.73Å; Y265-Y426 HydrophobicContact CD2-CE2 3.73Å; Y265-Y426 HydrophobicContact CE2-CE2 4.23Å; P272-Y426 HydrophobicContact CB-CD1 3.48Å; P272-Y426 VanDerWaalsContact CB-CD1 3.48Å; P272-Y426 HydrophobicContact CB-CD2 4.15Å; P272-Y426 HydrophobicContact CB-CE1 4.15Å; P272-Y426 HydrophobicContact CB-CG 3.52Å; P272-Y426 HydrophobicContact CG-CD1 3.74Å; P272-Y426 HydrophobicContact CG-CD2 3.58Å; P272-Y426 HydrophobicContact CG-CE1 4.08Å; P272-Y426 HydrophobicContact CG-CE2 3.97Å; P272-Y426 HydrophobicContact CG-CG 3.51Å; V274-Y426 WeakPolarHBondContact O-CA 2.44Å; Q275-Y426 HydrophobicContact CB-CD1 4.07Å; Q275-Y426 HydrophobicContact CB-CE1 4.13Å; Q275-Y426 HydrophobicContact CG-CD1 3.97Å; Q275-Y426 HydrophobicContact CG-CE1 3.74Å
427	L	98.7	Very high	94.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	160.2	166	-67.1	89.2	0	0	0	109.3	A226 I229 L232 G273 V274 F276 V432	A226-L427 HydrophobicContact CB-CD1 4.29Å; A226-L427 HydrophobicContact CB-CD2 4.16Å; A226-L427 HydrophobicContact CB-CG 4.49Å; I229-L427 HydrophobicContact CB-CD2 3.99Å; I229-L427 HydrophobicContact CD1-CD2 3.72Å; I229-L427 HydrophobicContact CG1-CD2 4.47Å; I229-L427 HydrophobicContact CG2-CD2 3.91Å; L232-L427 HydrophobicContact CD2-CD1 4.07Å; L232-L427 HydrophobicContact CD2-CG 4.46Å; G273-L427 PolarHBondContact N-O 2.83Å; V274-L427 HydrophobicContact CB-CB 4.4Å; V274-L427 PolarHBondContact N-O 3.48Å; V274-L427 PolarHBondContact O-N 2.97Å; F276-L427 HydrophobicContact CD1-CD1 4.32Å; F276-L427 HydrophobicContact CD2-CD1 3.7Å; F276-L427 HydrophobicContact CE1-CD1 4.01Å; F276-L427 HydrophobicContact CE2-CD1 3.35Å; F276-L427 HydrophobicContact CG-CD1 4.19Å; F276-L427 HydrophobicContact CZ-CD1 3.52Å; F276-L427 HydrophobicContact CZ-CD2 4.4Å; L427-V432 HydrophobicContact CB-CG2 4.14Å; L427-V432 HydrophobicContact CD2-CG2 4.42Å
428	D	98.6	Very high	95.9	Very high	27 Å²	27	33.6 Å²	33.6	14%	0.144	16%	0.159	C	C	.	.			trans	-94.6	151.8	170.7	-78.6	-42.5	0	0	0	111.5	R233 D430 E431 V432	R233-D428 WeakPolarHBondContact CD-OD2 3.48Å; R233-D428 WeakPolarHBondContact CG-OD2 3.31Å; R233-D428 IonicContact CZ-OD1 3.9Å; R233-D428 IonicContact CZ-OD2 3.21Å; R233-D428 IonicContact NE-OD1 3.23Å; R233-D428 IonicContact NE-OD2 3.28Å; R233-D428 IonicContact NH1-OD1 3.73Å; R233-D428 PolarHBondContact NH1-OD1 3.01Å; R233-D428 IonicContact NH1-OD2 3.69Å; R233-D428 PolarHBondContact NH1-OD2 3.45Å; D428-D430 PolarHBondContact O-N 2.96Å; D428-E431 WeakPolarHBondContact CB-OE2 3.45Å; D428-V432 VanDerWaalsContact O-CG2 3.26Å; D428-V432 WeakPolarHBondContact O-CG2 3.43Å; D428-V432 PolarHBondContact O-N 2.83Å
429	W	98.5	Very high	97.2	Very high	10 Å²	10	28.4 Å²	28.4	4%	0.038	14%	0.139	C	C	.	.	H	α-helix	trans	-68.1	-23.9	-172.1	-99.5	122.7	0	0	0	112.7	L204 R205 G273 V274 D401 W403 V432 M433	L204-W429 HydrophobicContact CG-CH2 4.04Å; R205-W429 HydrophobicContact CB-CH2 4.25Å; R205-W429 HydrophobicContact CB-CZ3 4.35Å; G273-W429 PolarHBondContact O-NE1 3.24Å; G273-W429 VanDerWaalsContact O-NE1 3.15Å; V274-W429 HydrophobicContact CG2-CD2 3.75Å; V274-W429 HydrophobicContact CG2-CE3 4.08Å; V274-W429 HydrophobicContact CG2-CG 4.31Å; V274-W429 HydrophobicContact CG2-CH2 4.06Å; V274-W429 HydrophobicContact CG2-CZ2 3.72Å; V274-W429 HydrophobicContact CG2-CZ3 4.23Å; D401-W429 HydrophobicContact CB-CZ2 3.73Å; D401-W429 VanDerWaalsContact CG-CZ2 3.46Å; D401-W429 PolarHBondContact OD1-NE1 3.44Å; W403-W429 AromaticContact CD2-CD1 3.85Å; W403-W429 AromaticContact CE3-CD1 3.59Å; W403-W429 HydrophobicContact CE3-CG 4.5Å; W403-W429 HydrophobicContact CH2-CB 4.24Å; W403-W429 HydrophobicContact CZ3-CB 4.21Å; W403-W429 AromaticContact CZ3-CD1 3.81Å; W403-W429 HydrophobicContact CZ3-CG 4.34Å; W429-V432 HydrophobicContact CE3-CB 3.87Å; W429-V432 HydrophobicContact CE3-CG1 3.74Å; W429-V432 HydrophobicContact CH2-CG1 4.46Å; W429-V432 HydrophobicContact CZ3-CB 4.18Å; W429-V432 HydrophobicContact CZ3-CG1 3.51Å; W429-M433 HydrophobicContact CE3-CG 4.03Å; W429-M433 HydrophobicContact CE3-SD 4.4Å; W429-M433 HydrophobicContact CZ3-SD 4.33Å; W429-M433 VanDerWaalsContact O-CB 3.26Å; W429-M433 WeakPolarHBondContact O-CB 3.13Å; W429-M433 WeakPolarHBondContact O-CG 3.39Å; W429-M433 PolarHBondContact O-N 3.03Å
430	D	98.4	Very high	97.7	Very high	111 Å²	111	27.1 Å²	27.1	59%	0.594	13%	0.13	S	C	*	.	H	α-helix	trans	-70.2	-40.8	-179.2	-74.7	-41.2	0	0	0	112.4	D428 M433 S434	D428-D430 PolarHBondContact O-N 2.96Å; D430-M433 PolarHBondContact O-N 2.76Å; D430-S434 WeakPolarHBondContact O-CB 3.4Å; D430-S434 PolarHBondContact O-N 2.95Å
431	E	98.3	Very high	97.8	Very high	38 Å²	38	33.1 Å²	33.1	18%	0.178	15%	0.152	C	C	.	.	H	α-helix	trans	-65.1	-45.1	174	-69.6	73.5	-170.6	0	0	110.9	I229 Y231 D428 S434 R435	I229-E431 HydrophobicContact CG2-CB 4.21Å; Y231-E431 HydrophobicContact CD2-CG 4.29Å; Y231-E431 HydrophobicContact CE1-CG 4.19Å; Y231-E431 HydrophobicContact CE2-CG 3.52Å; Y231-E431 VanDerWaalsContact CE2-OE1 3.27Å; Y231-E431 WeakPolarHBondContact CE2-OE1 3.47Å; Y231-E431 VanDerWaalsContact CZ-CG 3.46Å; Y231-E431 VanDerWaalsContact CZ-OE1 3.25Å; Y231-E431 WeakPolarHBondContact OH-CG 3.16Å; Y231-E431 PolarHBondContact OH-OE1 2.9Å; D428-E431 WeakPolarHBondContact CB-OE2 3.45Å; E431-S434 WeakPolarHBondContact O-CB 3.35Å; E431-S434 PolarHBondContact O-N 2.86Å; E431-R435 PolarHBondContact O-N 2.99Å
432	V	98.8	Very high	97.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.8	-47.7	176.9	179.7	0	0	0	0	110.1	L201 L204 I229 V274 L427 D428 W429 R435 L436	L201-V432 HydrophobicContact CD2-CG1 3.9Å; L204-V432 HydrophobicContact CD2-CG1 4.38Å; I229-V432 HydrophobicContact CD1-CG2 4.23Å; I229-V432 HydrophobicContact CG2-CG2 4.35Å; V274-V432 HydrophobicContact CB-CG2 4.32Å; V274-V432 HydrophobicContact CG2-CG2 3.95Å; L427-V432 HydrophobicContact CB-CG2 4.14Å; L427-V432 HydrophobicContact CD2-CG2 4.42Å; D428-V432 VanDerWaalsContact O-CG2 3.26Å; D428-V432 WeakPolarHBondContact O-CG2 3.43Å; D428-V432 PolarHBondContact O-N 2.83Å; W429-V432 HydrophobicContact CE3-CB 3.87Å; W429-V432 HydrophobicContact CE3-CG1 3.74Å; W429-V432 HydrophobicContact CH2-CG1 4.46Å; W429-V432 HydrophobicContact CZ3-CB 4.18Å; W429-V432 HydrophobicContact CZ3-CG1 3.51Å; V432-R435 PolarHBondContact O-N 3.37Å; V432-L436 WeakPolarHBondContact O-CB 2.85Å; V432-L436 PolarHBondContact O-N 3.32Å
433	M	98.6	Very high	97.7	Very high	13 Å²	13	39.2 Å²	39.2	6%	0.064	19%	0.188	C	C	.	.	H	α-helix	trans	-71.8	-28.9	177.6	-71.6	-60.6	-65.2	0	0	113.1	F169 L170 R205 W429 D430 L436 R437	F169-M433 VanDerWaalsContact O-CE 3.3Å; F169-M433 WeakPolarHBondContact O-CE 3.03Å; L170-M433 HydrophobicContact CB-CE 4.42Å; L170-M433 HydrophobicContact CD1-CE 4.37Å; R205-M433 HydrophobicContact CG-SD 3.98Å; W429-M433 HydrophobicContact CE3-CG 4.03Å; W429-M433 HydrophobicContact CE3-SD 4.4Å; W429-M433 HydrophobicContact CZ3-SD 4.33Å; W429-M433 VanDerWaalsContact O-CB 3.26Å; W429-M433 WeakPolarHBondContact O-CB 3.13Å; W429-M433 WeakPolarHBondContact O-CG 3.39Å; W429-M433 PolarHBondContact O-N 3.03Å; D430-M433 PolarHBondContact O-N 2.76Å; M433-L436 HydrophobicContact SD-CD1 3.96Å; M433-R437 WeakPolarHBondContact O-CB 3.39Å; M433-R437 VanDerWaalsContact O-CG 3.31Å; M433-R437 WeakPolarHBondContact O-CG 3.29Å; M433-R437 PolarHBondContact O-N 2.81Å; M433-R437 VanDerWaalsContact O-N 3.07Å; M433-R437 PolarHBondContact O-NE 3.36Å
434	S	98.6	Very high	97.3	Very high	56 Å²	56	44.5 Å²	44.5	39%	0.392	21%	0.212	S	C	.	.	H	α-helix	trans	-64.3	-52.3	171	-175.8	0	0	0	0	110.4	D430 E431 L436 R437 I438	D430-S434 WeakPolarHBondContact O-CB 3.4Å; D430-S434 PolarHBondContact O-N 2.95Å; E431-S434 WeakPolarHBondContact O-CB 3.35Å; E431-S434 PolarHBondContact O-N 2.86Å; S434-L436 VanDerWaalsContact C-N 3.35Å; S434-L436 PolarHBondContact O-N 2.8Å; S434-R437 PolarHBondContact O-N 3.18Å; S434-I438 WeakPolarHBondContact O-CG1 3.42Å; S434-I438 PolarHBondContact O-N 2.91Å; S434-I438 VanDerWaalsContact O-N 3.07Å
435	R	98.6	Very high	96.2	Very high	69 Å²	69	46.5 Å²	46.5	26%	0.26	23%	0.233	S	C	.	.	H	α-helix	trans	-58.5	-45.8	174.7	-178.1	60.3	55.2	176.9	5.2	111.7	L201 R228 I229 E431 V432 R437 I438 V439	L201-R435 HydrophobicContact CD1-CB 4.3Å; L201-R435 HydrophobicContact CD1-CG 3.82Å; R228-R435 WeakPolarHBondContact O-CD 3.5Å; R228-R435 PolarHBondContact O-NE 2.89Å; I229-R435 HydrophobicContact CB-CB 4.41Å; I229-R435 HydrophobicContact CG1-CG 4.48Å; I229-R435 HydrophobicContact CG2-CB 4Å; I229-R435 VanDerWaalsContact O-CZ 3.24Å; I229-R435 PolarHBondContact O-NE 3.15Å; I229-R435 PolarHBondContact O-NH2 2.79Å; E431-R435 PolarHBondContact O-N 2.99Å; V432-R435 PolarHBondContact O-N 3.37Å; R435-R437 VanDerWaalsContact C-N 3.33Å; R435-R437 PolarHBondContact O-N 3.36Å; R435-I438 PolarHBondContact O-N 3.41Å; R435-I438 VanDerWaalsContact O-N 3.14Å; R435-V439 VanDerWaalsContact CD-CG2 3.47Å; R435-V439 HydrophobicContact CG-CG2 3.88Å; R435-V439 WeakPolarHBondContact O-CG2 3.34Å; R435-V439 PolarHBondContact O-N 3.1Å
436	L	98.5	Very high	94.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-55	-49.8	179.2	-165.8	168.5	0	0	0	110.5	L170 L198 L201 L202 R205 V432 M433 S434 I438 V439 R440	L170-L436 HydrophobicContact CD1-CD1 3.71Å; L170-L436 HydrophobicContact CD1-CD2 3.55Å; L170-L436 HydrophobicContact CD1-CG 4.33Å; L198-L436 HydrophobicContact CD1-CD2 4.31Å; L201-L436 HydrophobicContact CB-CB 4.18Å; L201-L436 HydrophobicContact CB-CD1 3.97Å; L201-L436 HydrophobicContact CB-CG 3.86Å; L201-L436 HydrophobicContact CD1-CB 4.2Å; L202-L436 HydrophobicContact CD2-CD1 4.43Å; L202-L436 HydrophobicContact CD2-CD2 4.05Å; R205-L436 HydrophobicContact CB-CD1 4.19Å; V432-L436 WeakPolarHBondContact O-CB 2.85Å; V432-L436 PolarHBondContact O-N 3.32Å; M433-L436 HydrophobicContact SD-CD1 3.96Å; S434-L436 VanDerWaalsContact C-N 3.35Å; S434-L436 PolarHBondContact O-N 2.8Å; L436-I438 VanDerWaalsContact C-N 3.33Å; L436-I438 PolarHBondContact O-N 3.01Å; L436-V439 PolarHBondContact O-N 3.28Å; L436-R440 HydrophobicContact CD2-CB 4.46Å; L436-R440 WeakPolarHBondContact O-CB 3.43Å; L436-R440 PolarHBondContact O-N 2.88Å
437	R	97.9	Very high	91.7	Very high	86 Å²	86	51.4 Å²	51.4	33%	0.325	27%	0.266	S	S	.	.	H	α-helix	trans	-60.7	-39.1	178.3	-75	174.9	-74	-168.7	0.8	112.7	M433 S434 R435 R441	M433-R437 WeakPolarHBondContact O-CB 3.39Å; M433-R437 VanDerWaalsContact O-CG 3.31Å; M433-R437 WeakPolarHBondContact O-CG 3.29Å; M433-R437 PolarHBondContact O-N 2.81Å; M433-R437 VanDerWaalsContact O-N 3.07Å; M433-R437 PolarHBondContact O-NE 3.36Å; S434-R437 PolarHBondContact O-N 3.18Å; R435-R437 VanDerWaalsContact C-N 3.33Å; R435-R437 PolarHBondContact O-N 3.36Å; R437-R441 WeakPolarHBondContact O-CB 3.28Å; R437-R441 PolarHBondContact O-N 2.89Å
438	I	97.5	Very high	89	Confident	71 Å²	71	55.4 Å²	55.4	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-66.2	-52.2	175.7	-67.1	166.2	0	0	0	111.3	S434 R435 L436 R440 R441 N442	S434-I438 WeakPolarHBondContact O-CG1 3.42Å; S434-I438 PolarHBondContact O-N 2.91Å; S434-I438 VanDerWaalsContact O-N 3.07Å; R435-I438 PolarHBondContact O-N 3.41Å; R435-I438 VanDerWaalsContact O-N 3.14Å; L436-I438 VanDerWaalsContact C-N 3.33Å; L436-I438 PolarHBondContact O-N 3.01Å; I438-R440 VanDerWaalsContact C-N 3.33Å; I438-R440 PolarHBondContact O-N 3.2Å; I438-R441 WeakPolarHBondContact O-CB 3.17Å; I438-R441 PolarHBondContact O-N 2.72Å; I438-N442 PolarHBondContact O-N 3.05Å; I438-N442 PolarHBondContact O-OD1 3.29Å
439	V	97.3	Very high	86.2	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-66.7	-37.5	-176.9	-178.3	0	0	0	0	110.6	D194 A197 L198 R435 L436 R441 N442 V443	D194-V439 HydrophobicContact CB-CG1 3.79Å; D194-V439 WeakPolarHBondContact O-CG1 3.46Å; A197-V439 HydrophobicContact CB-CG1 4.27Å; L198-V439 HydrophobicContact CB-CG1 3.91Å; R435-V439 VanDerWaalsContact CD-CG2 3.47Å; R435-V439 HydrophobicContact CG-CG2 3.88Å; R435-V439 WeakPolarHBondContact O-CG2 3.34Å; R435-V439 PolarHBondContact O-N 3.1Å; L436-V439 PolarHBondContact O-N 3.28Å; V439-R441 VanDerWaalsContact C-N 3.29Å; V439-R441 PolarHBondContact O-N 3.29Å; V439-N442 WeakPolarHBondContact O-CB 3.36Å; V439-N442 PolarHBondContact O-N 3.38Å; V439-N442 VanDerWaalsContact O-N 3.12Å; V439-V443 HydrophobicContact CG1-CG2 4.22Å; V439-V443 WeakPolarHBondContact O-CG2 3.39Å; V439-V443 PolarHBondContact O-N 3.34Å
440	R	96.4	Very high	83.1	Confident	42 Å²	42	60.9 Å²	60.9	16%	0.158	33%	0.325	C	S	.	.	H	α-helix	trans	-58.6	-40.8	173.7	-167.9	177.3	71.4	-163.6	-1	112.2	E167 L198 L436 I438 H444	E167-R440 VanDerWaalsContact CG-NH2 3.27Å; E167-R440 PolarHBondContact O-NH1 2.95Å; E167-R440 PolarHBondContact O-NH2 2.62Å; E167-R440 IonicContact OE1-NH2 3.54Å; L198-R440 HydrophobicContact CD1-CB 3.63Å; L198-R440 HydrophobicContact CD1-CG 4.05Å; L198-R440 HydrophobicContact CD2-CB 4.42Å; L198-R440 HydrophobicContact CD2-CG 4.35Å; L436-R440 HydrophobicContact CD2-CB 4.46Å; L436-R440 WeakPolarHBondContact O-CB 3.43Å; L436-R440 PolarHBondContact O-N 2.88Å; I438-R440 VanDerWaalsContact C-N 3.33Å; I438-R440 PolarHBondContact O-N 3.2Å; R440-H444 PolarHBondContact O-CD2 3.25Å; R440-H444 PolarHBondContact O-N 2.96Å; R440-H444 VanDerWaalsContact O-N 3.12Å
441	R	93.6	Very high	80.2	Confident	131 Å²	131	61.6 Å²	61.6	49%	0.494	33%	0.329	S	S	.	.	H	α-helix	trans	-66.1	-41.7	173.8	-179.2	-172.6	-68.1	-175.8	1.1	111.9	R437 I438 V439 G445 D446	R437-R441 WeakPolarHBondContact O-CB 3.28Å; R437-R441 PolarHBondContact O-N 2.89Å; I438-R441 WeakPolarHBondContact O-CB 3.17Å; I438-R441 PolarHBondContact O-N 2.72Å; V439-R441 VanDerWaalsContact C-N 3.29Å; V439-R441 PolarHBondContact O-N 3.29Å; R441-G445 CarbonylContact O-C 3.6Å; R441-G445 WeakPolarHBondContact O-CA 3.43Å; R441-G445 PolarHBondContact O-N 2.93Å; R441-D446 WeakPolarHBondContact CD-OD1 3.07Å; R441-D446 WeakPolarHBondContact CD-OD2 3.41Å; R441-D446 HydrophobicContact CG-CB 4.46Å; R441-D446 VanDerWaalsContact CG-OD1 3.26Å; R441-D446 WeakPolarHBondContact CG-OD1 3.48Å; R441-D446 IonicContact CZ-OD1 2.83Å; R441-D446 IonicContact NE-OD1 2.69Å; R441-D446 PolarHBondContact NE-OD1 3.27Å
442	N	94.3	Very high	77.7	Confident	95 Å²	95	65.6 Å²	65.6	51%	0.508	35%	0.345	S	S	.	.	H	α-helix	trans	-62.8	-44.3	177.5	-68.8	-5.6	0	0	0	112.2	D194 I438 V439	D194-N442 VanDerWaalsContact OD2-CB 3.25Å; D194-N442 WeakPolarHBondContact OD2-CB 3.42Å; D194-N442 PolarHBondContact OD2-ND2 3.21Å; I438-N442 PolarHBondContact O-N 3.05Å; I438-N442 PolarHBondContact O-OD1 3.29Å; V439-N442 WeakPolarHBondContact O-CB 3.36Å; V439-N442 PolarHBondContact O-N 3.38Å; V439-N442 VanDerWaalsContact O-N 3.12Å
443	V	94.6	Very high	74.6	Confident	60 Å²	60	77.1 Å²	77.1	36%	0.364	39%	0.389	S	S	.	.	H	α-helix	trans	-73.6	-44.2	-175.6	174.1	0	0	0	0	112.7	D194 L198 V439	D194-V443 VanDerWaalsContact C-CG2 3.48Å; D194-V443 HydrophobicContact CB-CG2 3.86Å; D194-V443 WeakPolarHBondContact O-CG2 3.07Å; L198-V443 HydrophobicContact CB-CG2 4.3Å; L198-V443 HydrophobicContact CD2-CB 3.84Å; L198-V443 HydrophobicContact CD2-CG1 3.94Å; L198-V443 HydrophobicContact CD2-CG2 4.02Å; V439-V443 HydrophobicContact CG1-CG2 4.22Å; V439-V443 WeakPolarHBondContact O-CG2 3.39Å; V439-V443 PolarHBondContact O-N 3.34Å
444	H	89.6	Confident	71.5	Confident	115 Å²	115	80.1 Å²	80.1	53%	0.532	41%	0.411	S	S	.	.	H	α-helix	trans	-90.3	-6.2	-177.7	-58.6	-45.8	0	0	0	113.7	R440	R440-H444 PolarHBondContact O-CD2 3.25Å; R440-H444 PolarHBondContact O-N 2.96Å; R440-H444 VanDerWaalsContact O-N 3.12Å
445	G	75	Confident	68.5	Low	41 Å²	41	85.3 Å²	85.3	42%	0.423	43%	0.429	S	S	.	.			trans	76.7	158.4	-168.5	0	0	0	0	0	112.1	R441 A447	R441-G445 CarbonylContact O-C 3.6Å; R441-G445 WeakPolarHBondContact O-CA 3.43Å; R441-G445 PolarHBondContact O-N 2.93Å; G445-A447 PolarHBondContact O-N 3.24Å
446	D	54.7	Low	65.3	Low	69 Å²	69	89.7 Å²	89.7	37%	0.369	46%	0.456	S	S	.	.			trans	-72.5	113.9	168.2	-101.3	-47.7	0	0	0	109.7	R441 W448 A449	R441-D446 WeakPolarHBondContact CD-OD1 3.07Å; R441-D446 WeakPolarHBondContact CD-OD2 3.41Å; R441-D446 HydrophobicContact CG-CB 4.46Å; R441-D446 VanDerWaalsContact CG-OD1 3.26Å; R441-D446 WeakPolarHBondContact CG-OD1 3.48Å; R441-D446 IonicContact CZ-OD1 2.83Å; R441-D446 IonicContact NE-OD1 2.69Å; R441-D446 PolarHBondContact NE-OD1 3.27Å; D446-W448 PolarHBondContact O-N 3.49Å; D446-W448 VanDerWaalsContact O-N 3.17Å; D446-A449 HydrophobicContact CB-CB 3.38Å; D446-A449 WeakPolarHBondContact OD2-CB 3.45Å
447	A	48.9	Very low	62.2	Low	44 Å²	44	98.6 Å²	98.6	36%	0.364	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-9.1	156.3	0	0	0	0	0	112.2	V59 G445	V59-A447 HydrophobicContact CG2-CB 4.28Å; G445-A447 PolarHBondContact O-N 3.24Å
448	W	42.1	Very low	59.2	Low	85 Å²	85	105.5 Å²	105.5	32%	0.322	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-11	-169.8	-178.7	-119.2	0	0	0	115.4	W150 D446	W150-W448 HydrophobicContact CB-CH2 4.22Å; W150-W448 HydrophobicContact CB-CZ3 4.21Å; W150-W448 AromaticContact CD1-CH2 3.8Å; W150-W448 HydrophobicContact CG-CH2 4.43Å; D446-W448 PolarHBondContact O-N 3.49Å; D446-W448 VanDerWaalsContact O-N 3.17Å
449	A	39.8	Very low	56.2	Low	34 Å²	34	111.6 Å²	111.6	28%	0.281	55%	0.548	S	S	.	.			trans	-119.8	28	-165.5	0	0	0	0	0	114.3	D446 D451	D446-A449 HydrophobicContact CB-CB 3.38Å; D446-A449 WeakPolarHBondContact OD2-CB 3.45Å; A449-D451 PolarHBondContact O-N 2.76Å; A449-D451 VanDerWaalsContact O-N 3.11Å
450	S	33.2	Very low	53.2	Low	117 Å²	117	122.1 Å²	122.1	82%	0.818	61%	0.612	S	S	*	*	S	Bend	trans	-65.1	-2.6	172.4	40.9	0	0	0	0	114.6
451	D	39	Very low	51.1	Low	127 Å²	127	126.1 Å²	126.1	68%	0.679	64%	0.635	S	S	*	*	S	Bend	trans	-136.3	0.3	179.8	-151.7	17.5	0	0	0	116.6	A449	A449-D451 PolarHBondContact O-N 2.76Å; A449-D451 VanDerWaalsContact O-N 3.11Å
452	K	44.9	Very low	48.8	Very low	121 Å²	121	125.8 Å²	125.8	53%	0.526	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.5	-3	-174.9	-71.3	-165.7	-179.6	-171.8	0	116.2	E108	E108-K452 IonicContact OE1-NZ 2.83Å; E108-K452 PolarHBondContact OE1-NZ 2.89Å
453	R	34.4	Very low	46.3	Very low	242 Å²	242	127.6 Å²	127.6	91%	0.913	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	0.5	-177.1	-74.9	-169.7	-178.3	-179.7	3.2	116.2
454	S	32.4	Very low	43.5	Very low	76 Å²	76	131.5 Å²	131.5	53%	0.531	67%	0.666	S	S	.	*	S	Bend	trans	-84.5	-10.5	-175	56.7	0	0	0	0	115.3
455	H	34.7	Very low	40.6	Very low	166 Å²	166	132.6 Å²	132.6	77%	0.769	68%	0.675	S	S	*	*	S	Bend	trans	-124.3	-1.4	-166	-73.3	-15	0	0	0	117.6
456	L	33	Very low	38.3	Very low	160 Å²	160	138.7 Å²	138.7	84%	0.838	69%	0.691	S	S	*	*	S	Bend	trans	-102.1	4.9	-179.4	-122.3	76.4	0	0	0	116.2
457	H	32.4	Very low	37.1	Very low	187 Å²	187	143.6 Å²	143.6	87%	0.866	72%	0.715	S	S	*	*	S	Bend	trans	-122.6	29.6	179.1	-78.1	-6.5	0	0	0	114.2
458	R	34.6	Very low	36.2	Very low	232 Å²	232	151.3 Å²	151.3	88%	0.875	74%	0.742	S	S	*	*	S	Bend	trans	-135.8	73.1	165.5	-83.4	-172	169.2	178.8	-2.4	111.7
459	K	35.1	Very low	35.7	Very low	199 Å²	199	156.8 Å²	156.8	87%	0.865	78%	0.776	S	S	*	*			trans	170	88.3	148.5	-96.3	163.7	-177	-177	0	110.6
460	T	35.1	Very low	35.4	Very low	221 Å²	221	168 Å²	168	100%	1.356	82%	0.822	S	S	*	*				171.7	0	117	41.5	0	0	0	0	107.4

Retrieved 460 of 460 residues in 1137.6 ms (Link to these results)

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