A0A068F5P3_DANRE Loading...

Beta-1,3-glucosyltransferase precursor

AlphaFold DB , UniProt , Accession A0A068F5P3, Species DANRE (Danio rerio, Zebrafish), Gene b3glctb, Length 493 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	28.4	Very low	253 Å²	253	154.4 Å²	154.4	100%	1.246	83%	0.83	S	S	*	*				0	122.4	0	-77.1	166.9	159.3	0	0	106.7
2	S	29.1	Very low	28	Very low	108 Å²	108	157.7 Å²	157.7	76%	0.755	82%	0.824	S	S	*	*			cis	-155.7	114.4	-3	-169.4	0	0	0	0	104.2
3	R	27.4	Very low	27.7	Very low	217 Å²	217	160.2 Å²	160.2	82%	0.819	83%	0.825	S	S	*	*				49.1	120.8	110.8	-71	-170	-175.3	-166.1	2.5	117.4
4	Y	26.8	Very low	27.7	Very low	226 Å²	226	156.5 Å²	156.5	89%	0.886	82%	0.819	S	S	*	*				-165.8	102.8	122.8	-95.5	-78.8	0	0	0	105.5
5	T	30.4	Very low	27.5	Very low	118 Å²	118	154.5 Å²	154.5	72%	0.724	82%	0.821	S	S	*	*				41.9	131.6	71.1	57.4	0	0	0	0	114.5
6	A	30.6	Very low	27.9	Very low	93 Å²	93	151.3 Å²	151.3	77%	0.769	82%	0.815	S	S	*	*			cis	-155	153.6	21.2	0	0	0	0	0	109.9
7	G	26.1	Very low	27.9	Very low	70 Å²	70	151.7 Å²	151.7	72%	0.722	82%	0.816	S	S	*	*				112.5	145.3	77.4	0	0	0	0	0	108.2
8	H	27.7	Very low	27.9	Very low	188 Å²	188	151.4 Å²	151.4	87%	0.87	81%	0.813	S	S	*	*			cis	-159	158.1	21.5	-96.2	78.3	0	0	0	110.8
9	N	27.1	Very low	28.3	Very low	152 Å²	152	148.3 Å²	148.3	81%	0.813	80%	0.804	S	S	*	*			trans	-56.8	151.2	169.8	-68.3	-39.1	0	0	0	114.6
10	V	26.6	Very low	28.2	Very low	137 Å²	137	151.3 Å²	151.3	83%	0.83	81%	0.809	S	S	*	*			trans	-151.7	131.1	134	-174.3	0	0	0	0	109.8
11	I	27.8	Very low	28.2	Very low	136 Å²	136	150.1 Å²	150.1	70%	0.697	81%	0.808	S	S	*	*			trans	-127.4	146.6	156.4	-47.6	-178	0	0	0	108.9
12	Y	24.7	Very low	28	Very low	194 Å²	194	143.5 Å²	143.5	76%	0.761	78%	0.783	S	S	*	*			trans	83.7	130.1	167.7	-60.5	-77	0	0	0	113.9
13	F	23.6	Very low	27.8	Very low	190 Å²	190	142.8 Å²	142.8	83%	0.833	78%	0.778	S	S	*	*			cis	-161.7	154.1	45.5	-135.4	-90.4	0	0	0	112.3
14	C	28	Very low	27.8	Very low	109 Å²	109	138.5 Å²	138.5	74%	0.736	78%	0.78	S	S	*	*			trans	-8.2	131.2	159.2	-131.8	0	0	0	0	119.8
15	C	23.6	Very low	27.7	Very low	126 Å²	126	134.4 Å²	134.4	85%	0.851	77%	0.774	S	S	*	*				-165.4	125	126.4	-118.6	0	0	0	0	112.2
16	S	35.2	Very low	27.8	Very low	103 Å²	103	133.1 Å²	133.1	72%	0.72	78%	0.775	S	S	*	*			trans	-49.6	142.5	165.3	42.3	0	0	0	0	113.6
17	L	27.5	Very low	27.8	Very low	159 Å²	159	136.6 Å²	136.6	83%	0.832	78%	0.78	S	S	*	*			trans	-169.7	107.6	146.8	-98.4	149.7	0	0	0	111.2
18	L	26.9	Very low	28.1	Very low	147 Å²	147	139.9 Å²	139.9	77%	0.77	78%	0.781	S	S	*	*			trans	45.3	109.9	135.4	-73.7	160.7	0	0	0	120.6
19	S	35.5	Very low	28.7	Very low	92 Å²	92	137 Å²	137	64%	0.643	77%	0.772	S	S	*	*				46.6	104.5	129.9	55.9	0	0	0	0	119.4
20	F	26.6	Very low	29.4	Very low	207 Å²	207	135.1 Å²	135.1	91%	0.908	76%	0.762	S	S	*	*			trans	-140.7	101.4	137.6	-99.7	-87.7	0	0	0	108.5	P22	F20-P22 WeakPolarHBondContact O-CD 3.49Å
21	V	28.4	Very low	30.6	Very low	128 Å²	128	132.7 Å²	132.7	78%	0.776	75%	0.751	S	S	*	*			trans	-77.9	118.6	161.8	175.9	0	0	0	0	105.8	S23	V21-S23 PolarHBondContact O-N 3.14Å; V21-S23 VanDerWaalsContact O-N 3.14Å
22	P	27.8	Very low	32.1	Very low	113 Å²	113	129 Å²	129	73%	0.734	74%	0.737	S	S	*	*			trans	-70.1	111.3	159.7	0.3	17.3	0	0	0	105.6	F20 C24	F20-P22 WeakPolarHBondContact O-CD 3.49Å; P22-C24 PolarHBondContact O-N 2.94Å
23	S	26	Very low	33.2	Very low	93 Å²	93	128.9 Å²	128.9	65%	0.65	74%	0.743	S	S	*	*			trans	-52.1	106.4	164.9	-178.1	0	0	0	0	107.6	V21 N25	V21-S23 PolarHBondContact O-N 3.14Å; V21-S23 VanDerWaalsContact O-N 3.14Å; S23-N25 PolarHBondContact O-N 2.89Å
24	C	27	Very low	34.3	Very low	127 Å²	127	129 Å²	129	86%	0.858	74%	0.743	S	S	*	*			trans	-65.8	90	162.9	-76.2	0	0	0	0	106.4	P22 A26	P22-C24 PolarHBondContact O-N 2.94Å; C24-A26 PolarHBondContact O-N 3.16Å; C24-A26 VanDerWaalsContact O-N 3.16Å
25	N	25.4	Very low	35.1	Very low	140 Å²	140	127.2 Å²	127.2	75%	0.749	73%	0.73	S	S	*	*			trans	-56.2	119.4	158.5	-86.1	-24.5	0	0	0	106.7	S23 L27	S23-N25 PolarHBondContact O-N 2.89Å; N25-L27 PolarHBondContact O-N 3.12Å
26	A	31.2	Very low	35.6	Very low	92 Å²	92	127 Å²	127	76%	0.76	73%	0.728	S	S	*	*			trans	-51.9	108.3	167.5	0	0	0	0	0	108	C24 N28	C24-A26 PolarHBondContact O-N 3.16Å; C24-A26 VanDerWaalsContact O-N 3.16Å; A26-N28 PolarHBondContact O-N 2.96Å; A26-N28 VanDerWaalsContact O-N 3.12Å
27	L	30.3	Very low	35.7	Very low	165 Å²	165	134.3 Å²	134.3	86%	0.864	74%	0.739	S	S	*	*			trans	-67	107.9	162.2	-75.6	164.6	0	0	0	105.6	N25 D29	N25-L27 PolarHBondContact O-N 3.12Å; L27-D29 PolarHBondContact O-N 3.27Å
28	N	33.6	Very low	36.2	Very low	140 Å²	140	131.3 Å²	131.3	75%	0.749	73%	0.732	S	S	*	*			trans	-57.6	93.9	157.8	-92.9	-5.4	0	0	0	107.1	A26 D30	A26-N28 PolarHBondContact O-N 2.96Å; A26-N28 VanDerWaalsContact O-N 3.12Å; N28-D30 PolarHBondContact O-N 2.89Å; N28-D30 VanDerWaalsContact O-N 3.07Å
29	D	38.9	Very low	36.6	Very low	127 Å²	127	128.6 Å²	128.6	68%	0.679	74%	0.739	S	S	*	*			trans	-82.5	78	169.7	-157.4	2.6	0	0	0	108.1	L27 S31	L27-D29 PolarHBondContact O-N 3.27Å; D29-S31 VanDerWaalsContact C-N 3.34Å; D29-S31 PolarHBondContact OD1-OG 3.07Å
30	D	43.8	Very low	36.8	Very low	112 Å²	112	127.9 Å²	127.9	60%	0.599	74%	0.739	S	S	*	*			trans	-90.7	4.3	178.3	-104.7	-21.3	0	0	0	112.7	N28 K245	N28-D30 PolarHBondContact O-N 2.89Å; N28-D30 VanDerWaalsContact O-N 3.07Å; D30-K245 IonicContact OD1-NZ 2.57Å; D30-K245 PolarHBondContact OD1-NZ 2.64Å
31	S	51.6	Low	37.4	Very low	87 Å²	87	125.7 Å²	125.7	61%	0.608	73%	0.731	S	S	*	*			trans	-98.7	101.4	-178.2	43.2	0	0	0	0	111.9	D29 E33	D29-S31 VanDerWaalsContact C-N 3.34Å; D29-S31 PolarHBondContact OD1-OG 3.07Å; S31-E33 PolarHBondContact O-N 2.97Å
32	C	58.8	Low	38	Very low	59 Å²	59	129 Å²	129	40%	0.399	74%	0.74	S	S	.	*			trans	-52.3	125.8	149.8	-62.4	0	0	0	0	107.8	K34 C246	C32-K34 PolarHBondContact O-N 3.25Å; C32-C246 WeakPolarHBondContact CA-SG 3.39Å; C32-C246 HydrophobicContact CB-CB 3.81Å; C32-C246 WeakPolarHBondContact CB-SG 3.28Å; C32-C246 VanDerWaalsContact SG-CA 3.53Å; C32-C246 WeakPolarHBondContact SG-CB 3.05Å; C32-C246 CovalentContact SG-SG 2.03Å; C32-C246 PolarHBondContact SG-SG 3.46Å
33	E	48.6	Very low	38.9	Very low	191 Å²	191	132.8 Å²	132.8	89%	0.893	74%	0.742	S	S	*	*			trans	-52.4	115.4	176.1	-80	-171.5	156.8	0	0	108.5	S31	S31-E33 PolarHBondContact O-N 2.97Å
34	K	45.7	Very low	40	Very low	192 Å²	192	131 Å²	131	84%	0.835	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-65	128	171.8	-72.2	-178.2	-179.9	175.7	0	106.3	C32	C32-K34 PolarHBondContact O-N 3.25Å
35	P	44.5	Very low	41.7	Very low	71 Å²	71	133.7 Å²	133.7	46%	0.461	73%	0.73	S	S	.	*	P	Polyproline II helix	trans	-56.2	146.4	179.6	22.1	-31.9	0	0	0	109.7	R37	P35-R37 PolarHBondContact O-N 2.75Å
36	P	33.4	Very low	44.4	Very low	122 Å²	122	133.6 Å²	133.6	79%	0.792	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-54.9	131.8	175.3	22.1	-31	0	0	0	108.5	S38	P36-S38 PolarHBondContact O-N 3.25Å
37	R	37.3	Very low	47.2	Very low	256 Å²	256	129.5 Å²	129.5	97%	0.966	69%	0.69	S	S	*	*			trans	-63	86.4	172.7	-74.3	-179.1	174.4	177.7	-2.5	108.3	P35	P35-R37 PolarHBondContact O-N 2.75Å
38	S	38.5	Very low	50.1	Low	97 Å²	97	124.3 Å²	124.3	68%	0.678	66%	0.661	S	S	*	*			trans	-66.4	138.4	159.9	63.2	0	0	0	0	106.8	P36 A40	P36-S38 PolarHBondContact O-N 3.25Å; S38-A40 PolarHBondContact O-N 2.73Å
39	G	35.1	Very low	52.9	Low	89 Å²	89	117.6 Å²	117.6	92%	0.918	63%	0.625	S	S	*	*			trans	-69	42.5	-175.9	0	0	0	0	0	114.4
40	A	40.4	Very low	55.5	Low	77 Å²	77	118.6 Å²	118.6	64%	0.636	62%	0.62	S	S	*	*			trans	-76.2	121.1	167.4	0	0	0	0	0	108.3	S38 M42	S38-A40 PolarHBondContact O-N 2.73Å; A40-M42 PolarHBondContact O-N 3.46Å; A40-M42 VanDerWaalsContact O-N 3.17Å
41	E	38.3	Very low	57.9	Low	162 Å²	162	114 Å²	114	76%	0.757	60%	0.595	S	S	*	*			trans	-49.7	123.1	172	-63.3	176.3	137.8	0	0	109.7	Y43	E41-Y43 HydrophobicContact CB-CD2 3.68Å; E41-Y43 HydrophobicContact CB-CE2 4.12Å; E41-Y43 PolarHBondContact O-N 3.31Å
42	M	40.9	Very low	60.1	Low	196 Å²	196	109.9 Å²	109.9	97%	0.966	57%	0.566	S	S	*	*			trans	-70	69.9	176.3	-119.3	-175.2	68.7	0	0	109.9	A40	A40-M42 PolarHBondContact O-N 3.46Å; A40-M42 VanDerWaalsContact O-N 3.17Å
43	Y	48.3	Very low	62	Low	194 Å²	194	107 Å²	107	76%	0.761	55%	0.547	S	S	*	.			trans	-102.1	82.2	168.9	-84	-78	0	0	0	108.3	E41	E41-Y43 HydrophobicContact CB-CD2 3.68Å; E41-Y43 HydrophobicContact CB-CE2 4.12Å; E41-Y43 PolarHBondContact O-N 3.31Å
44	G	49.3	Very low	64.3	Low	55 Å²	55	98 Å²	98	57%	0.567	51%	0.505	S	S	*	.			trans	-118.6	100.4	-178.4	0	0	0	0	0	111.4	H46	G44-H46 PolarHBondContact O-N 3.42Å
45	R	62.9	Low	66.9	Low	184 Å²	184	88.8 Å²	88.8	69%	0.694	47%	0.465	S	S	*	.			trans	-51.6	131.8	154.9	179.9	177.1	176.9	167.4	-3.1	107.4	I47	R45-I47 PolarHBondContact O-N 3.45Å; R45-I47 VanDerWaalsContact O-N 3.11Å
46	H	80.8	Confident	69.4	Low	137 Å²	137	85.4 Å²	85.4	63%	0.634	44%	0.443	S	S	*	.			trans	-59.7	115.4	177.8	-173.1	-79.3	0	0	0	109.1	G44	G44-H46 PolarHBondContact O-N 3.42Å
47	I	89.5	Confident	72.5	Confident	6 Å²	6	81 Å²	81	3%	0.031	41%	0.412	C	S	.	.			trans	-75.8	129.4	175.9	-56.7	-63.2	0	0	0	107.8	R45 D51 V52 L120 L137 P145	R45-I47 PolarHBondContact O-N 3.45Å; R45-I47 VanDerWaalsContact O-N 3.11Å; I47-D51 HydrophobicContact CG2-CB 4.21Å; I47-V52 HydrophobicContact CG2-CG2 4.25Å; I47-L120 HydrophobicContact CD1-CD1 3.76Å; I47-L137 HydrophobicContact CB-CD2 4.44Å; I47-L137 HydrophobicContact CG2-CD2 3.84Å; I47-P145 HydrophobicContact CD1-CG 4.44Å
48	E	91.6	Very high	75.3	Confident	56 Å²	56	69.1 Å²	69.1	26%	0.262	37%	0.368	S	S	.	.			trans	-112.2	164.7	176.7	-62.7	-177.3	176.8	0	0	111.2	R50 D51	E48-R50 HydrophobicContact CB-CG 4.13Å; E48-R50 PolarHBondContact O-N 3.12Å; E48-R50 IonicContact OE1-NH2 3.68Å; E48-R50 IonicContact OE2-CZ 3.54Å; E48-R50 IonicContact OE2-NE 2.66Å; E48-R50 PolarHBondContact OE2-NE 3.12Å; E48-R50 IonicContact OE2-NH2 3.88Å; E48-R50 PolarHBondContact OE2-NH2 3.23Å; E48-D51 PolarHBondContact N-OD2 2.03Å; E48-D51 VanDerWaalsContact O-CB 3.27Å; E48-D51 WeakPolarHBondContact O-CB 3.03Å; E48-D51 PolarHBondContact O-N 3.1Å
49	L	93.1	Very high	78	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-59.6	-33.6	179.8	-68.1	-178.6	0	0	0	113.5	D51 V52 A79 V82 T83 P87 L133 L137	L49-D51 PolarHBondContact O-N 2.92Å; L49-V52 PolarHBondContact O-N 3.11Å; L49-V52 VanDerWaalsContact O-N 3.09Å; L49-A79 HydrophobicContact CD1-CB 3.5Å; L49-A79 VanDerWaalsContact CD1-CB 3.5Å; L49-V82 HydrophobicContact CD1-CB 4.43Å; L49-T83 VanDerWaalsContact CD1-OG1 3.24Å; L49-T83 WeakPolarHBondContact CD1-OG1 3.13Å; L49-T83 WeakPolarHBondContact CG-OG1 2.97Å; L49-P87 HydrophobicContact CB-CB 4.36Å; L49-P87 WeakPolarHBondContact O-CB 3.46Å; L49-L133 HydrophobicContact CD1-CD1 3.85Å; L49-L133 HydrophobicContact CD2-CB 4.07Å; L49-L133 HydrophobicContact CD2-CD1 3.97Å; L49-L133 HydrophobicContact CD2-CD2 3.77Å; L49-L133 HydrophobicContact CD2-CG 4.14Å; L49-L137 HydrophobicContact CD2-CD1 3.78Å; L49-L137 HydrophobicContact CD2-CD2 4.06Å; L49-L137 HydrophobicContact CD2-CG 3.99Å; L49-L137 HydrophobicContact CG-CD1 4.03Å
50	R	92.6	Very high	80.8	Confident	148 Å²	148	65.2 Å²	65.2	56%	0.558	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-64.1	-17.6	174.7	63.2	173.5	141.9	-159.7	-7.5	113.9	E48 V52	E48-R50 HydrophobicContact CB-CG 4.13Å; E48-R50 PolarHBondContact O-N 3.12Å; E48-R50 IonicContact OE1-NH2 3.68Å; E48-R50 IonicContact OE2-CZ 3.54Å; E48-R50 IonicContact OE2-NE 2.66Å; E48-R50 PolarHBondContact OE2-NE 3.12Å; E48-R50 IonicContact OE2-NH2 3.88Å; E48-R50 PolarHBondContact OE2-NH2 3.23Å; R50-V52 VanDerWaalsContact C-N 3.28Å
51	D	94.9	Very high	83.3	Confident	15 Å²	15	62 Å²	62	8%	0.08	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-85.5	-1.5	177.5	-57.3	-40.2	0	0	0	112.1	I47 E48 L49 L120 W121	I47-D51 HydrophobicContact CG2-CB 4.21Å; E48-D51 PolarHBondContact N-OD2 2.03Å; E48-D51 VanDerWaalsContact O-CB 3.27Å; E48-D51 WeakPolarHBondContact O-CB 3.03Å; E48-D51 PolarHBondContact O-N 3.1Å; L49-D51 PolarHBondContact O-N 2.92Å; D51-L120 HydrophobicContact CB-CB 4.15Å; D51-L120 HydrophobicContact CB-CD1 3.86Å; D51-L120 HydrophobicContact CB-CG 3.88Å; D51-L120 PolarHBondContact O-N 2.87Å; D51-W121 PolarHBondContact O-N 3.32Å
52	V	97.3	Very high	86	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.4	-176.8	-171.5	0	0	0	0	110	I47 L49 R50 F54 W121 M123 L137 L140	I47-V52 HydrophobicContact CG2-CG2 4.25Å; L49-V52 PolarHBondContact O-N 3.11Å; L49-V52 VanDerWaalsContact O-N 3.09Å; R50-V52 VanDerWaalsContact C-N 3.28Å; V52-F54 HydrophobicContact CB-CE2 4.05Å; V52-F54 HydrophobicContact CB-CZ 4.25Å; V52-F54 HydrophobicContact CG1-CD2 4.36Å; V52-F54 HydrophobicContact CG1-CE1 4.17Å; V52-F54 HydrophobicContact CG1-CE2 3.86Å; V52-F54 HydrophobicContact CG1-CZ 3.75Å; V52-W121 HydrophobicContact CG1-CB 4.38Å; V52-W121 HydrophobicContact CG2-CB 4.41Å; V52-M123 HydrophobicContact CG1-CB 4.08Å; V52-L137 HydrophobicContact CG2-CD2 4.37Å; V52-L140 HydrophobicContact CG1-CD1 4.33Å; V52-L140 HydrophobicContact CG2-CD1 3.74Å
53	L	98.4	Very high	88.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	126.9	165.1	170.8	66.3	0	0	0	109.1	V55 D88 V90 L111 Y115 W121 I122 M123	L53-V55 HydrophobicContact CD2-CG2 3.8Å; L53-V55 HydrophobicContact CG-CG2 3.91Å; L53-D88 HydrophobicContact CD1-CB 3.74Å; L53-V90 HydrophobicContact CD1-CB 4.48Å; L53-V90 HydrophobicContact CD1-CG2 3.82Å; L53-L111 HydrophobicContact CD2-CD2 4.28Å; L53-Y115 HydrophobicContact CD1-CD1 3.81Å; L53-Y115 HydrophobicContact CD1-CD2 4.31Å; L53-Y115 HydrophobicContact CD1-CE1 4.05Å; L53-Y115 HydrophobicContact CD1-CG 3.94Å; L53-Y115 HydrophobicContact CD2-CD1 4.41Å; L53-Y115 HydrophobicContact CD2-CD2 3.78Å; L53-Y115 HydrophobicContact CD2-CG 3.7Å; L53-Y115 HydrophobicContact CG-CG 4.34Å; L53-W121 PolarHBondContact N-O 3.17Å; L53-I122 HydrophobicContact CB-CG1 4.43Å; L53-I122 HydrophobicContact CD2-CD1 4.24Å; L53-I122 HydrophobicContact CD2-CG1 4.09Å; L53-I122 HydrophobicContact CD2-CG2 3.99Å; L53-I122 HydrophobicContact CG-CG2 4.34Å; L53-I122 CarbonylContact O-C 3.35Å; L53-I122 WeakPolarHBondContact O-CA 3.28Å; L53-M123 PolarHBondContact O-N 3.37Å
54	F	98.6	Very high	90.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127.1	168.6	-63.5	-88.2	0	0	0	110.5	V52 I75 P87 D88 V89 V90 M123 L125 V131 L133 L136	V52-F54 HydrophobicContact CB-CE2 4.05Å; V52-F54 HydrophobicContact CB-CZ 4.25Å; V52-F54 HydrophobicContact CG1-CD2 4.36Å; V52-F54 HydrophobicContact CG1-CE1 4.17Å; V52-F54 HydrophobicContact CG1-CE2 3.86Å; V52-F54 HydrophobicContact CG1-CZ 3.75Å; F54-I75 HydrophobicContact CB-CD1 4.45Å; F54-I75 HydrophobicContact CD1-CD1 4.31Å; F54-I75 HydrophobicContact CD2-CG2 4.14Å; F54-I75 HydrophobicContact CE2-CG2 4.28Å; F54-I75 HydrophobicContact CG-CD1 4.38Å; F54-I75 HydrophobicContact CG-CG2 4.39Å; F54-P87 HydrophobicContact CD2-CB 3.76Å; F54-P87 HydrophobicContact CD2-CG 4.08Å; F54-P87 HydrophobicContact CE2-CB 3.63Å; F54-P87 HydrophobicContact CE2-CG 3.92Å; F54-D88 PolarHBondContact N-O 2.89Å; F54-V89 HydrophobicContact CB-CB 4.46Å; F54-V89 HydrophobicContact CB-CG1 4.17Å; F54-V89 HydrophobicContact CB-CG2 4.2Å; F54-V89 HydrophobicContact CD2-CG2 4.38Å; F54-V89 CarbonylContact O-C 3.51Å; F54-V89 WeakPolarHBondContact O-CA 3.48Å; F54-V90 PolarHBondContact O-N 3.49Å; F54-M123 WeakPolarHBondContact CA-O 3.3Å; F54-M123 HydrophobicContact CD1-CB 3.94Å; F54-M123 HydrophobicContact CD1-CG 4.07Å; F54-M123 HydrophobicContact CE1-CB 4.16Å; F54-M123 HydrophobicContact CE1-CG 4.15Å; F54-L125 HydrophobicContact CD1-CD1 3.92Å; F54-V131 HydrophobicContact CE1-CG1 4.38Å; F54-L133 HydrophobicContact CE1-CD2 3.97Å; F54-L133 HydrophobicContact CE2-CD2 4.1Å; F54-L133 HydrophobicContact CZ-CD2 3.35Å; F54-L136 HydrophobicContact CE1-CD2 3.52Å; F54-L136 HydrophobicContact CZ-CD2 3.72Å
55	V	98.8	Very high	93.1	Very high	0 Å²	0	39 Å²	39	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	110.6	174.5	-177.3	0	0	0	0	108.7	L53 L92 L111 I122 M123 F124 L125	L53-V55 HydrophobicContact CD2-CG2 3.8Å; L53-V55 HydrophobicContact CG-CG2 3.91Å; V55-L92 HydrophobicContact CG1-CD1 4.33Å; V55-L111 HydrophobicContact CG1-CD1 4.41Å; V55-L111 HydrophobicContact CG2-CD1 4.2Å; V55-L111 HydrophobicContact CG2-CD2 4.12Å; V55-I122 HydrophobicContact CG2-CG2 3.68Å; V55-M123 PolarHBondContact N-O 3.17Å; V55-F124 HydrophobicContact CB-CD1 3.75Å; V55-F124 HydrophobicContact CB-CE1 3.99Å; V55-F124 HydrophobicContact CG1-CD1 3.89Å; V55-F124 HydrophobicContact CG1-CE1 4.01Å; V55-F124 HydrophobicContact CG2-CD1 4.38Å; V55-F124 HydrophobicContact CG2-CE1 4.18Å; V55-F124 WeakPolarHBondContact O-CA 3.5Å; V55-L125 PolarHBondContact O-N 3.01Å
56	I	98.4	Very high	94.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	113.6	175.7	-59.3	166.9	0	0	0	108.1	S58 A68 R71 R72 I75 V89 V90 L91 L92 L125 E127	I56-S58 PolarHBondContact O-N 3.14Å; I56-S58 PolarHBondContact O-OG 3.33Å; I56-A68 HydrophobicContact CG2-CB 4.25Å; I56-R71 HydrophobicContact CD1-CB 3.92Å; I56-R71 HydrophobicContact CD1-CG 3.58Å; I56-R71 HydrophobicContact CG1-CG 4.12Å; I56-R72 HydrophobicContact CD1-CB 4.08Å; I56-I75 HydrophobicContact CD1-CD1 4.38Å; I56-V89 HydrophobicContact CD1-CG1 3.71Å; I56-V89 HydrophobicContact CG1-CG1 4.3Å; I56-V90 PolarHBondContact N-O 3.44Å; I56-L91 HydrophobicContact CB-CD2 3.86Å; I56-L91 HydrophobicContact CD1-CD2 3.61Å; I56-L91 HydrophobicContact CG1-CD2 4.23Å; I56-L91 HydrophobicContact CG2-CD2 4.38Å; I56-L92 WeakPolarHBondContact O-CB 3.49Å; I56-L92 PolarHBondContact O-N 3.34Å; I56-L125 WeakPolarHBondContact CA-O 3.38Å; I56-E127 HydrophobicContact CG2-CG 4Å
57	Q	96.9	Very high	95.2	Very high	30 Å²	30	32 Å²	32	14%	0.14	15%	0.147	C	C	.	.			trans	-67.8	77.4	176.4	-62.9	-175.4	41	0	0	110.4	L92 I104 L125	Q57-L92 HydrophobicContact CB-CD2 4.38Å; Q57-L92 HydrophobicContact CG-CD2 4.32Å; Q57-I104 HydrophobicContact CG-CD1 4.21Å; Q57-L125 WeakPolarHBondContact CB-O 3.48Å; Q57-L125 PolarHBondContact N-O 3.36Å
58	S	96.4	Very high	95.6	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.042	15%	0.146	C	C	.	.			trans	-107.3	160.3	-169	45.2	0	0	0	0	112.7	I56 L91 L92 H93 E127	I56-S58 PolarHBondContact O-N 3.14Å; I56-S58 PolarHBondContact O-OG 3.33Å; S58-L91 WeakPolarHBondContact OG-CA 3.48Å; S58-L92 PolarHBondContact OG-N 3.1Å; S58-L92 VanDerWaalsContact OG-N 3.12Å; S58-H93 WeakPolarHBondContact CB-ND1 3.47Å; S58-H93 WeakPolarHBondContact O-CB 3.39Å; S58-H93 PolarHBondContact OG-ND1 3.39Å; S58-E127 WeakPolarHBondContact CA-OE1 3.11Å; S58-E127 WeakPolarHBondContact CB-OE1 3.24Å
59	Q	95.6	Very high	95.9	Very high	22 Å²	22	30.9 Å²	30.9	10%	0.103	14%	0.142	C	C	.	.			trans	-121.9	162.3	-174.3	-46.2	-171.2	75.2	0	0	112.1	H64 T65 E127 H435	Q59-H64 HydrophobicContact CB-CB 3.76Å; Q59-H64 PolarHBondContact NE2-CE1 3.46Å; Q59-H64 PolarHBondContact NE2-ND1 3.28Å; Q59-T65 PolarHBondContact O-OG1 3.21Å; Q59-E127 PolarHBondContact N-OE1 2.93Å; Q59-H435 PolarHBondContact NE2-O 3.27Å
60	R	93.8	Very high	96	Very high	81 Å²	81	36 Å²	36	31%	0.306	17%	0.166	S	C	.	.	S	Bend	trans	-82.2	-22.4	-165.5	-74	-173.5	175.7	169.9	11.2	117.3	T65 H93 S96 H97 P432	R60-T65 PolarHBondContact O-OG1 2.66Å; R60-H93 HydrophobicContact CG-CB 3.82Å; R60-S96 PolarHBondContact NH2-O 3.25Å; R60-H97 PolarHBondContact NH1-O 3.16Å; R60-H97 VanDerWaalsContact NH2-CA 3.25Å; R60-H97 PolarHBondContact NH2-O 3.33Å; R60-P432 HydrophobicContact CB-CB 4.09Å; R60-P432 HydrophobicContact CB-CG 3.84Å
61	N	93.6	Very high	96.1	Very high	10 Å²	10	29.7 Å²	29.7	5%	0.053	14%	0.142	C	C	.	.	S	Bend	trans	-67.1	161.1	179.1	65.2	68.4	0	0	0	110.6	Y63 H64 T65 T434	N61-Y63 VanDerWaalsContact C-N 3.34Å; N61-Y63 PolarHBondContact O-N 3.01Å; N61-Y63 PolarHBondContact OD1-N 3.32Å; N61-H64 PolarHBondContact ND2-CD2 3.48Å; N61-H64 PolarHBondContact O-N 3.17Å; N61-H64 PolarHBondContact OD1-CD2 2.02Å; N61-H64 PolarHBondContact OD1-N 2.79Å; N61-T65 WeakPolarHBondContact O-CB 2.97Å; N61-T65 PolarHBondContact O-N 2.76Å; N61-T65 PolarHBondContact O-OG1 3.11Å; N61-T434 WeakPolarHBondContact ND2-CG2 3.28Å; N61-T434 PolarHBondContact ND2-OG1 2.94Å
62	S	95.1	Very high	96.2	Very high	51 Å²	51	33.3 Å²	33.3	36%	0.357	15%	0.154	S	C	.	.	H	α-helix	trans	-61.1	-41.3	-170.8	56.6	0	0	0	0	113.1	T65 Q66 E368	S62-T65 PolarHBondContact O-N 3.45Å; S62-Q66 WeakPolarHBondContact O-CB 3.45Å; S62-Q66 PolarHBondContact O-N 3.23Å; S62-E368 WeakPolarHBondContact CB-OE1 3.3Å; S62-E368 PolarHBondContact OG-OE1 2.91Å; S62-E368 PolarHBondContact OG-OE2 3.48Å
63	Y	94.5	Very high	96.2	Very high	24 Å²	24	40.1 Å²	40.1	9%	0.094	18%	0.184	C	C	.	.	H	α-helix	trans	-57.3	-52.5	177.9	168	-114.8	0	0	0	112.4	N61 Q66 R67 S256 C258 C363 Y364	N61-Y63 VanDerWaalsContact C-N 3.34Å; N61-Y63 PolarHBondContact O-N 3.01Å; N61-Y63 PolarHBondContact OD1-N 3.32Å; Y63-Q66 PolarHBondContact O-N 2.78Å; Y63-R67 HydrophobicContact CE2-CG 4.27Å; Y63-R67 VanDerWaalsContact CZ-CD 3.41Å; Y63-R67 WeakPolarHBondContact O-CG 2.93Å; Y63-R67 PolarHBondContact O-N 3.09Å; Y63-R67 PolarHBondContact OH-NH1 3.5Å; Y63-S256 PolarHBondContact OH-OG 3.29Å; Y63-C258 VanDerWaalsContact CE2-SG 3.6Å; Y63-C363 WeakPolarHBondContact CB-O 3.39Å; Y63-C363 HydrophobicContact CD1-CB 4Å; Y63-C363 HydrophobicContact CD2-CB 3.74Å; Y63-C363 WeakPolarHBondContact CD2-O 3.31Å; Y63-C363 HydrophobicContact CE1-CB 3.85Å; Y63-C363 HydrophobicContact CE2-CB 3.55Å; Y63-C363 HydrophobicContact CG-CB 3.96Å; Y63-Y364 HydrophobicContact CD1-CD1 4.29Å; Y63-Y364 AromaticContact CD1-CE1 3.76Å; Y63-Y364 HydrophobicContact CD1-CE1 3.76Å; Y63-Y364 AromaticContact CD1-CZ 3.99Å; Y63-Y364 HydrophobicContact CG-CE1 4.5Å
64	H	95.4	Very high	96	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.056	20%	0.201	C	C	.	.	H	α-helix	trans	-68.1	-40	179	-76	-84.2	0	0	0	111.5	Q59 N61 Q66 R67 A68 E127 Y364 T434	Q59-H64 HydrophobicContact CB-CB 3.76Å; Q59-H64 PolarHBondContact NE2-CE1 3.46Å; Q59-H64 PolarHBondContact NE2-ND1 3.28Å; N61-H64 PolarHBondContact ND2-CD2 3.48Å; N61-H64 PolarHBondContact O-N 3.17Å; N61-H64 PolarHBondContact OD1-CD2 2.02Å; N61-H64 PolarHBondContact OD1-N 2.79Å; H64-Q66 VanDerWaalsContact C-N 3.32Å; H64-Q66 PolarHBondContact O-N 3.1Å; H64-R67 PolarHBondContact O-N 2.73Å; H64-A68 WeakPolarHBondContact O-CB 3.4Å; H64-A68 PolarHBondContact O-N 3.32Å; H64-E127 WeakPolarHBondContact CB-OE1 3.22Å; H64-E127 IonicContact CE1-OE2 2.93Å; H64-E127 IonicContact CG-OE2 2.8Å; H64-E127 IonicContact ND1-OE1 3.68Å; H64-E127 IonicContact ND1-OE2 3.66Å; H64-E127 PolarHBondContact ND1-OE2 2.83Å; H64-E127 VanDerWaalsContact O-OE1 3.06Å; H64-Y364 AromaticContact CD2-CE1 3.88Å; H64-Y364 AromaticContact NE2-CE1 3.9Å; H64-Y364 AromaticContact NE2-CZ 3.83Å; H64-Y364 PolarHBondContact NE2-OH 2.78Å; H64-T434 WeakPolarHBondContact NE2-CG2 3.44Å
65	T	96.1	Very high	95.9	Very high	37 Å²	37	43.8 Å²	43.8	23%	0.227	20%	0.201	C	C	.	.	H	α-helix	trans	-57.2	-43.6	174.9	-60.6	0	0	0	0	112	Q59 R60 N61 S62 A68 E69	Q59-T65 PolarHBondContact O-OG1 3.21Å; R60-T65 PolarHBondContact O-OG1 2.66Å; N61-T65 WeakPolarHBondContact O-CB 2.97Å; N61-T65 PolarHBondContact O-N 2.76Å; N61-T65 PolarHBondContact O-OG1 3.11Å; S62-T65 PolarHBondContact O-N 3.45Å; T65-A68 PolarHBondContact O-N 2.93Å; T65-E69 WeakPolarHBondContact O-CG 3.38Å; T65-E69 PolarHBondContact O-N 2.92Å
66	Q	95.3	Very high	95.8	Very high	137 Å²	137	45.8 Å²	45.8	64%	0.64	21%	0.212	S	C	*	.	H	α-helix	trans	-63.4	-44.6	178.6	-174.6	179.2	14.6	0	0	111.7	S62 Y63 H64 E69 Q70	S62-Q66 WeakPolarHBondContact O-CB 3.45Å; S62-Q66 PolarHBondContact O-N 3.23Å; Y63-Q66 PolarHBondContact O-N 2.78Å; H64-Q66 VanDerWaalsContact C-N 3.32Å; H64-Q66 PolarHBondContact O-N 3.1Å; Q66-E69 PolarHBondContact O-N 3.12Å; Q66-Q70 WeakPolarHBondContact O-CB 3.34Å; Q66-Q70 PolarHBondContact O-N 3.39Å
67	R	94.1	Very high	95.6	Very high	37 Å²	37	51.7 Å²	51.7	14%	0.14	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-45.4	177.3	-68	171.8	69	96.1	9.7	111.7	Y63 H64 E69 Q70 R71 E127 E128 S256	Y63-R67 HydrophobicContact CE2-CG 4.27Å; Y63-R67 VanDerWaalsContact CZ-CD 3.41Å; Y63-R67 WeakPolarHBondContact O-CG 2.93Å; Y63-R67 PolarHBondContact O-N 3.09Å; Y63-R67 PolarHBondContact OH-NH1 3.5Å; H64-R67 PolarHBondContact O-N 2.73Å; R67-E69 PolarHBondContact O-N 3.39Å; R67-Q70 WeakPolarHBondContact O-CB 3.38Å; R67-Q70 PolarHBondContact O-N 3.26Å; R67-R71 WeakPolarHBondContact O-CB 3.31Å; R67-R71 PolarHBondContact O-N 3.4Å; R67-E127 HydrophobicContact CB-CB 4.17Å; R67-E128 IonicContact CZ-OE1 3.68Å; R67-E128 IonicContact NE-OE1 2.98Å; R67-E128 PolarHBondContact NE-OE1 2.81Å; R67-E128 VanDerWaalsContact NH2-CD 3.34Å; R67-E128 VanDerWaalsContact NH2-CG 3.28Å; R67-E128 IonicContact NH2-OE1 3.56Å; R67-E128 PolarHBondContact NH2-OE1 3Å; R67-S256 PolarHBondContact NH1-OG 3.23Å
68	A	96.5	Very high	95.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.1	-43.9	178.4	0	0	0	0	0	112.2	I56 H64 T65 R71 R72 L91 E127	I56-A68 HydrophobicContact CG2-CB 4.25Å; H64-A68 WeakPolarHBondContact O-CB 3.4Å; H64-A68 PolarHBondContact O-N 3.32Å; T65-A68 PolarHBondContact O-N 2.93Å; A68-R71 PolarHBondContact O-N 3.15Å; A68-R72 WeakPolarHBondContact O-CB 2.97Å; A68-R72 PolarHBondContact O-N 3.47Å; A68-L91 HydrophobicContact CB-CD1 4.13Å; A68-L91 HydrophobicContact CB-CD2 4.08Å; A68-E127 HydrophobicContact CB-CG 4.23Å
69	E	97.7	Very high	95.2	Very high	39 Å²	39	52.9 Å²	52.9	18%	0.182	24%	0.244	C	C	.	.	H	α-helix	trans	-69.3	-35.3	176	-73.7	-67.9	-179	0	0	112.5	T65 Q66 R67 R72 K73 L91 K94	T65-E69 WeakPolarHBondContact O-CG 3.38Å; T65-E69 PolarHBondContact O-N 2.92Å; Q66-E69 PolarHBondContact O-N 3.12Å; R67-E69 PolarHBondContact O-N 3.39Å; E69-R72 PolarHBondContact O-N 3.45Å; E69-R72 IonicContact OE1-NH1 2.66Å; E69-R72 IonicContact OE2-NH1 3.06Å; E69-K73 WeakPolarHBondContact O-CB 3.39Å; E69-K73 VanDerWaalsContact O-CG 3.3Å; E69-K73 WeakPolarHBondContact O-CG 3.28Å; E69-K73 PolarHBondContact O-N 2.97Å; E69-L91 VanDerWaalsContact CD-CD1 3.4Å; E69-L91 HydrophobicContact CG-CD1 3.85Å; E69-L91 VanDerWaalsContact OE1-CD1 3.25Å; E69-L91 WeakPolarHBondContact OE1-CD1 3.35Å; E69-K94 IonicContact OE1-NZ 2.66Å; E69-K94 PolarHBondContact OE1-NZ 2.91Å
70	Q	95.5	Very high	94.9	Very high	107 Å²	107	58.4 Å²	58.4	50%	0.5	27%	0.27	S	S	.	.	H	α-helix	trans	-60.8	-49.9	171.7	177.1	176.4	-10.2	0	0	110.6	Q66 R67 R72 K73 E74	Q66-Q70 WeakPolarHBondContact O-CB 3.34Å; Q66-Q70 PolarHBondContact O-N 3.39Å; R67-Q70 WeakPolarHBondContact O-CB 3.38Å; R67-Q70 PolarHBondContact O-N 3.26Å; Q70-R72 VanDerWaalsContact C-N 3.31Å; Q70-R72 PolarHBondContact O-N 3.4Å; Q70-K73 WeakPolarHBondContact O-CB 3.29Å; Q70-K73 PolarHBondContact O-N 3.49Å; Q70-K73 VanDerWaalsContact O-N 3.12Å; Q70-E74 HydrophobicContact CG-CG 4.5Å; Q70-E74 VanDerWaalsContact CG-OE1 3.27Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.43Å; Q70-E74 PolarHBondContact NE2-OE1 2.69Å; Q70-E74 WeakPolarHBondContact O-CG 3.4Å; Q70-E74 PolarHBondContact O-N 3.19Å
71	R	95.3	Very high	94.4	Very high	16 Å²	16	60.1 Å²	60.1	6%	0.06	29%	0.289	C	S	.	.	H	α-helix	trans	-57	-44.4	177.1	179.8	57.5	59.1	-151.7	-0.8	111.8	I56 R67 A68 E74 I75 E127 E128 T129	I56-R71 HydrophobicContact CD1-CB 3.92Å; I56-R71 HydrophobicContact CD1-CG 3.58Å; I56-R71 HydrophobicContact CG1-CG 4.12Å; R67-R71 WeakPolarHBondContact O-CB 3.31Å; R67-R71 PolarHBondContact O-N 3.4Å; A68-R71 PolarHBondContact O-N 3.15Å; R71-E74 IonicContact CZ-OE2 3.91Å; R71-E74 IonicContact NH1-OE2 3.46Å; R71-E74 PolarHBondContact NH1-OE2 2.91Å; R71-E74 IonicContact NH2-OE2 3.77Å; R71-E74 PolarHBondContact O-N 3.37Å; R71-I75 HydrophobicContact CG-CD1 4.24Å; R71-I75 WeakPolarHBondContact O-CG1 3.43Å; R71-I75 PolarHBondContact O-N 3.3Å; R71-E127 PolarHBondContact NE-O 2.64Å; R71-E128 PolarHBondContact NH2-O 2.87Å; R71-T129 WeakPolarHBondContact CD-O 3.34Å; R71-T129 VanDerWaalsContact CZ-O 3.29Å; R71-T129 PolarHBondContact NE-O 2.68Å
72	R	97.6	Very high	93.8	Very high	90 Å²	90	62.1 Å²	62.1	34%	0.34	30%	0.302	S	S	.	.	H	α-helix	trans	-59.5	-46.6	175	176.7	173	-176	-144.3	3	112.2	I56 A68 E69 Q70 E74 I75 L76 V89 L91	I56-R72 HydrophobicContact CD1-CB 4.08Å; A68-R72 WeakPolarHBondContact O-CB 2.97Å; A68-R72 PolarHBondContact O-N 3.47Å; E69-R72 PolarHBondContact O-N 3.45Å; E69-R72 IonicContact OE1-NH1 2.66Å; E69-R72 IonicContact OE2-NH1 3.06Å; Q70-R72 VanDerWaalsContact C-N 3.31Å; Q70-R72 PolarHBondContact O-N 3.4Å; R72-E74 VanDerWaalsContact C-N 3.34Å; R72-E74 PolarHBondContact O-N 2.86Å; R72-I75 PolarHBondContact O-N 3.25Å; R72-L76 HydrophobicContact CG-CD1 3.92Å; R72-L76 HydrophobicContact CG-CG 4.47Å; R72-L76 VanDerWaalsContact O-CG 3.28Å; R72-L76 WeakPolarHBondContact O-CG 3.43Å; R72-L76 PolarHBondContact O-N 3.45Å; R72-V89 HydrophobicContact CB-CG1 3.98Å; R72-V89 HydrophobicContact CG-CB 3.95Å; R72-V89 HydrophobicContact CG-CG1 3.72Å; R72-L91 HydrophobicContact CB-CD2 4.22Å
73	K	96.6	Very high	92.6	Very high	144 Å²	144	61.9 Å²	61.9	63%	0.626	30%	0.299	S	S	*	.	H	α-helix	trans	-61.4	-41.9	177.4	-74.7	172.3	-177.3	176.9	0	111.9	E69 Q70 L76 H77	E69-K73 WeakPolarHBondContact O-CB 3.39Å; E69-K73 VanDerWaalsContact O-CG 3.3Å; E69-K73 WeakPolarHBondContact O-CG 3.28Å; E69-K73 PolarHBondContact O-N 2.97Å; Q70-K73 WeakPolarHBondContact O-CB 3.29Å; Q70-K73 PolarHBondContact O-N 3.49Å; Q70-K73 VanDerWaalsContact O-N 3.12Å; K73-L76 PolarHBondContact O-N 3.11Å; K73-H77 VanDerWaalsContact O-CB 3.24Å; K73-H77 WeakPolarHBondContact O-CB 3.44Å; K73-H77 PolarHBondContact O-N 3.13Å
74	E	95.1	Very high	91.4	Very high	74 Å²	74	69.6 Å²	69.6	35%	0.346	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-45.5	178.2	-72.1	171.6	-169.5	0	0	111.6	Q70 R71 R72 H77 Q78	Q70-E74 HydrophobicContact CG-CG 4.5Å; Q70-E74 VanDerWaalsContact CG-OE1 3.27Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.43Å; Q70-E74 PolarHBondContact NE2-OE1 2.69Å; Q70-E74 WeakPolarHBondContact O-CG 3.4Å; Q70-E74 PolarHBondContact O-N 3.19Å; R71-E74 IonicContact CZ-OE2 3.91Å; R71-E74 IonicContact NH1-OE2 3.46Å; R71-E74 PolarHBondContact NH1-OE2 2.91Å; R71-E74 IonicContact NH2-OE2 3.77Å; R71-E74 PolarHBondContact O-N 3.37Å; R72-E74 VanDerWaalsContact C-N 3.34Å; R72-E74 PolarHBondContact O-N 2.86Å; E74-H77 PolarHBondContact O-N 2.81Å; E74-Q78 PolarHBondContact O-N 3.36Å
75	I	96.1	Very high	90.6	Very high	3 Å²	3	70 Å²	70	2%	0.015	34%	0.34	C	S	.	.	H	α-helix	trans	-60.3	-49.9	175.5	-68.2	167.9	0	0	0	110.8	F54 I56 R71 R72 H77 Q78 A79 P87 V89 L125 L133	F54-I75 HydrophobicContact CB-CD1 4.45Å; F54-I75 HydrophobicContact CD1-CD1 4.31Å; F54-I75 HydrophobicContact CD2-CG2 4.14Å; F54-I75 HydrophobicContact CE2-CG2 4.28Å; F54-I75 HydrophobicContact CG-CD1 4.38Å; F54-I75 HydrophobicContact CG-CG2 4.39Å; I56-I75 HydrophobicContact CD1-CD1 4.38Å; R71-I75 HydrophobicContact CG-CD1 4.24Å; R71-I75 WeakPolarHBondContact O-CG1 3.43Å; R71-I75 PolarHBondContact O-N 3.3Å; R72-I75 PolarHBondContact O-N 3.25Å; I75-H77 VanDerWaalsContact C-N 3.32Å; I75-H77 PolarHBondContact O-N 3.08Å; I75-Q78 PolarHBondContact O-N 3.21Å; I75-A79 WeakPolarHBondContact O-CB 3.24Å; I75-A79 PolarHBondContact O-N 3.33Å; I75-P87 HydrophobicContact CG2-CG 4.1Å; I75-V89 HydrophobicContact CG2-CG2 3.96Å; I75-L125 HydrophobicContact CD1-CD1 3.8Å; I75-L133 HydrophobicContact CG2-CD1 4.47Å
76	L	95.6	Very high	90.1	Very high	42 Å²	42	72.3 Å²	72.3	22%	0.22	36%	0.357	C	S	.	.	H	α-helix	trans	-65.3	-35.5	-178.6	-67.8	174.4	0	0	0	112.4	R72 K73 A79 Q80 S86 P87 V89	R72-L76 HydrophobicContact CG-CD1 3.92Å; R72-L76 HydrophobicContact CG-CG 4.47Å; R72-L76 VanDerWaalsContact O-CG 3.28Å; R72-L76 WeakPolarHBondContact O-CG 3.43Å; R72-L76 PolarHBondContact O-N 3.45Å; K73-L76 PolarHBondContact O-N 3.11Å; L76-A79 PolarHBondContact O-N 3.33Å; L76-Q80 PolarHBondContact O-N 3.4Å; L76-S86 WeakPolarHBondContact CD2-OG 3.45Å; L76-P87 HydrophobicContact CD2-CG 4.39Å; L76-V89 HydrophobicContact CD2-CG2 4.02Å; L76-V89 HydrophobicContact CG-CG2 4.3Å
77	H	94	Very high	90.1	Very high	124 Å²	124	66 Å²	66	57%	0.574	33%	0.328	S	S	*	.	H	α-helix	trans	-67.6	-46.7	176.1	-176.6	57.7	0	0	0	111.5	K73 E74 I75 A79 Q80	K73-H77 VanDerWaalsContact O-CB 3.24Å; K73-H77 WeakPolarHBondContact O-CB 3.44Å; K73-H77 PolarHBondContact O-N 3.13Å; E74-H77 PolarHBondContact O-N 2.81Å; I75-H77 VanDerWaalsContact C-N 3.32Å; I75-H77 PolarHBondContact O-N 3.08Å; H77-A79 PolarHBondContact O-N 2.88Å; H77-Q80 WeakPolarHBondContact O-CB 3.49Å; H77-Q80 PolarHBondContact O-N 2.99Å
78	Q	93.8	Very high	90.2	Very high	59 Å²	59	67.8 Å²	67.8	28%	0.276	34%	0.34	S	S	.	.	H	α-helix	trans	-61	-36.3	176.1	-171.1	175.9	55.4	0	0	111.6	E74 I75 Q80 T81 V82 V131 L133	E74-Q78 PolarHBondContact O-N 3.36Å; I75-Q78 PolarHBondContact O-N 3.21Å; Q78-Q80 VanDerWaalsContact C-N 3.29Å; Q78-Q80 PolarHBondContact O-N 2.99Å; Q78-T81 PolarHBondContact O-N 3.48Å; Q78-T81 VanDerWaalsContact O-N 3.11Å; Q78-V82 HydrophobicContact CG-CG2 4.13Å; Q78-V82 WeakPolarHBondContact O-CG2 3.24Å; Q78-V82 PolarHBondContact O-N 2.66Å; Q78-V82 VanDerWaalsContact O-N 3.16Å; Q78-V131 PolarHBondContact OE1-O 3.17Å; Q78-V131 VanDerWaalsContact OE1-O 3.13Å; Q78-L133 HydrophobicContact CB-CD1 3.91Å; Q78-L133 HydrophobicContact CG-CB 4.25Å; Q78-L133 HydrophobicContact CG-CD1 4Å; Q78-L133 HydrophobicContact CG-CG 4.28Å; Q78-L133 VanDerWaalsContact OE1-CB 3.3Å
79	A	92.6	Very high	90.3	Very high	1 Å²	1	68.5 Å²	68.5	1%	0.008	35%	0.345	C	S	.	.	H	α-helix	trans	-60.1	-35.4	178	0	0	0	0	0	113.6	L49 I75 L76 H77 T81 V82 T83 Q84 P87 L133	L49-A79 HydrophobicContact CD1-CB 3.5Å; L49-A79 VanDerWaalsContact CD1-CB 3.5Å; I75-A79 WeakPolarHBondContact O-CB 3.24Å; I75-A79 PolarHBondContact O-N 3.33Å; L76-A79 PolarHBondContact O-N 3.33Å; H77-A79 PolarHBondContact O-N 2.88Å; A79-T81 PolarHBondContact O-N 2.84Å; A79-V82 PolarHBondContact O-N 2.66Å; A79-T83 PolarHBondContact O-N 2.84Å; A79-Q84 PolarHBondContact O-N 3.33Å; A79-P87 HydrophobicContact CB-CG 4.29Å; A79-L133 HydrophobicContact CB-CD1 4.06Å
80	Q	89.3	Confident	90.3	Very high	138 Å²	138	67.1 Å²	67.1	65%	0.645	34%	0.339	S	S	*	.	H	α-helix	trans	-62.3	-32.4	176.7	-67.9	171.4	-2.7	0	0	112.2	L76 H77 Q78	L76-Q80 PolarHBondContact O-N 3.4Å; H77-Q80 WeakPolarHBondContact O-CB 3.49Å; H77-Q80 PolarHBondContact O-N 2.99Å; Q78-Q80 VanDerWaalsContact C-N 3.29Å; Q78-Q80 PolarHBondContact O-N 2.99Å
81	T	83.8	Confident	90.5	Very high	117 Å²	117	62.4 Å²	62.4	72%	0.718	32%	0.317	S	S	*	.	H	α-helix	trans	-83.1	-32.4	179.5	-46.4	0	0	0	0	112.7	Q78 A79	Q78-T81 PolarHBondContact O-N 3.48Å; Q78-T81 VanDerWaalsContact O-N 3.11Å; A79-T81 PolarHBondContact O-N 2.84Å
82	V	79.8	Confident	90.5	Very high	53 Å²	53	61.7 Å²	61.7	32%	0.321	32%	0.315	S	S	.	.	H	α-helix	trans	-86.2	-49	-168.5	174.6	0	0	0	0	113.4	L49 Q78 A79 L137	L49-V82 HydrophobicContact CD1-CB 4.43Å; Q78-V82 HydrophobicContact CG-CG2 4.13Å; Q78-V82 WeakPolarHBondContact O-CG2 3.24Å; Q78-V82 PolarHBondContact O-N 2.66Å; Q78-V82 VanDerWaalsContact O-N 3.16Å; A79-V82 PolarHBondContact O-N 2.66Å; V82-L137 HydrophobicContact CG1-CD1 4.41Å
83	T	69.9	Low	90.4	Very high	46 Å²	46	58.7 Å²	58.7	28%	0.282	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.6	2.3	-175.2	49.6	0	0	0	0	115	L49 A79 S85	L49-T83 VanDerWaalsContact CD1-OG1 3.24Å; L49-T83 WeakPolarHBondContact CD1-OG1 3.13Å; L49-T83 WeakPolarHBondContact CG-OG1 2.97Å; A79-T83 PolarHBondContact O-N 2.84Å; T83-S85 WeakPolarHBondContact CB-OG 2.94Å; T83-S85 PolarHBondContact O-N 2.89Å; T83-S85 PolarHBondContact OG1-OG 3.28Å
84	Q	69.6	Low	90.4	Very high	185 Å²	185	57.5 Å²	57.5	86%	0.864	30%	0.299	S	S	*	.	S	Bend	trans	55.1	15.5	-171.4	-57.3	179.7	-1.1	0	0	114	A79	A79-Q84 PolarHBondContact O-N 3.33Å
85	S	79.1	Confident	90.4	Very high	21 Å²	21	54.5 Å²	54.5	15%	0.147	29%	0.286	C	S	.	.			trans	-114.7	136.7	175	57	0	0	0	0	109.7	T83	T83-S85 WeakPolarHBondContact CB-OG 2.94Å; T83-S85 PolarHBondContact O-N 2.89Å; T83-S85 PolarHBondContact OG1-OG 3.28Å
86	S	85.9	Confident	90.3	Very high	86 Å²	86	56.1 Å²	56.1	60%	0.601	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-93.7	123.2	-178.8	-171.8	0	0	0	0	109.9	L76	L76-S86 WeakPolarHBondContact CD2-OG 3.45Å
87	P	94.3	Very high	90	Very high	5 Å²	5	62.7 Å²	62.7	3%	0.032	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-72.7	161	171.3	32	-35.5	0	0	0	111.2	L49 F54 I75 L76 A79 V89	L49-P87 HydrophobicContact CB-CB 4.36Å; L49-P87 WeakPolarHBondContact O-CB 3.46Å; F54-P87 HydrophobicContact CD2-CB 3.76Å; F54-P87 HydrophobicContact CD2-CG 4.08Å; F54-P87 HydrophobicContact CE2-CB 3.63Å; F54-P87 HydrophobicContact CE2-CG 3.92Å; I75-P87 HydrophobicContact CG2-CG 4.1Å; L76-P87 HydrophobicContact CD2-CG 4.39Å; A79-P87 HydrophobicContact CB-CG 4.29Å; P87-V89 HydrophobicContact CG-CG2 4.36Å
88	D	96.8	Very high	89.9	Confident	73 Å²	73	59.1 Å²	59.1	39%	0.39	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	133	165	-77.6	-51.9	0	0	0	109.8	L53 F54 Y115	L53-D88 HydrophobicContact CD1-CB 3.74Å; F54-D88 PolarHBondContact N-O 2.89Å; D88-Y115 HydrophobicContact CB-CD1 4.07Å; D88-Y115 HydrophobicContact CB-CE1 3.96Å
89	V	98	Very high	89.6	Confident	15 Å²	15	58.1 Å²	58.1	9%	0.091	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	113.7	177.3	-171.9	0	0	0	0	109.5	F54 I56 R72 I75 L76 P87	F54-V89 HydrophobicContact CB-CB 4.46Å; F54-V89 HydrophobicContact CB-CG1 4.17Å; F54-V89 HydrophobicContact CB-CG2 4.2Å; F54-V89 HydrophobicContact CD2-CG2 4.38Å; F54-V89 CarbonylContact O-C 3.51Å; F54-V89 WeakPolarHBondContact O-CA 3.48Å; I56-V89 HydrophobicContact CD1-CG1 3.71Å; I56-V89 HydrophobicContact CG1-CG1 4.3Å; R72-V89 HydrophobicContact CB-CG1 3.98Å; R72-V89 HydrophobicContact CG-CB 3.95Å; R72-V89 HydrophobicContact CG-CG1 3.72Å; I75-V89 HydrophobicContact CG2-CG2 3.96Å; L76-V89 HydrophobicContact CD2-CG2 4.02Å; L76-V89 HydrophobicContact CG-CG2 4.3Å; P87-V89 HydrophobicContact CG-CG2 4.36Å
90	V	98.3	Very high	89.7	Confident	11 Å²	11	58.1 Å²	58.1	7%	0.067	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.6	-179.3	171.2	0	0	0	0	110	L53 F54 I56 L95 L111 Y115	L53-V90 HydrophobicContact CD1-CB 4.48Å; L53-V90 HydrophobicContact CD1-CG2 3.82Å; F54-V90 PolarHBondContact O-N 3.49Å; I56-V90 PolarHBondContact N-O 3.44Å; V90-L95 HydrophobicContact CG1-CD1 4.25Å; V90-L111 HydrophobicContact CG1-CD2 4.18Å; V90-Y115 HydrophobicContact CG2-CE1 4.27Å; V90-Y115 HydrophobicContact CG2-CE2 3.84Å; V90-Y115 VanDerWaalsContact CG2-OH 3.31Å; V90-Y115 WeakPolarHBondContact CG2-OH 3.42Å
91	L	98.4	Very high	90	Very high	7 Å²	7	52 Å²	52	4%	0.037	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	115.3	167.3	-54	-169.8	0	0	0	108.1	I56 S58 A68 E69 R72 H93 K94 L95	I56-L91 HydrophobicContact CB-CD2 3.86Å; I56-L91 HydrophobicContact CD1-CD2 3.61Å; I56-L91 HydrophobicContact CG1-CD2 4.23Å; I56-L91 HydrophobicContact CG2-CD2 4.38Å; S58-L91 WeakPolarHBondContact OG-CA 3.48Å; A68-L91 HydrophobicContact CB-CD1 4.13Å; A68-L91 HydrophobicContact CB-CD2 4.08Å; E69-L91 VanDerWaalsContact CD-CD1 3.4Å; E69-L91 HydrophobicContact CG-CD1 3.85Å; E69-L91 VanDerWaalsContact OE1-CD1 3.25Å; E69-L91 WeakPolarHBondContact OE1-CD1 3.35Å; R72-L91 HydrophobicContact CB-CD2 4.22Å; L91-H93 VanDerWaalsContact C-N 3.27Å; L91-H93 PolarHBondContact O-N 2.86Å; L91-K94 HydrophobicContact CB-CB 4.42Å; L91-K94 HydrophobicContact CB-CD 4.39Å; L91-K94 HydrophobicContact CB-CG 4.21Å; L91-K94 HydrophobicContact CD1-CD 4.25Å; L91-K94 WeakPolarHBondContact O-CA 3.27Å; L91-K94 PolarHBondContact O-N 2.98Å; L91-L95 PolarHBondContact O-N 2.81Å
92	L	96.8	Very high	90.5	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-55.8	-39.6	-171.3	-166.2	56.7	0	0	0	113.1	V55 I56 Q57 S58 K94 L95 N101 A107	V55-L92 HydrophobicContact CG1-CD1 4.33Å; I56-L92 WeakPolarHBondContact O-CB 3.49Å; I56-L92 PolarHBondContact O-N 3.34Å; Q57-L92 HydrophobicContact CB-CD2 4.38Å; Q57-L92 HydrophobicContact CG-CD2 4.32Å; S58-L92 PolarHBondContact OG-N 3.1Å; S58-L92 VanDerWaalsContact OG-N 3.12Å; L92-K94 PolarHBondContact O-N 3.47Å; L92-K94 VanDerWaalsContact O-N 3.16Å; L92-L95 HydrophobicContact CD1-CD2 4.17Å; L92-L95 VanDerWaalsContact O-CB 3.28Å; L92-L95 WeakPolarHBondContact O-CB 3.25Å; L92-L95 PolarHBondContact O-N 3.49Å; L92-N101 HydrophobicContact CD1-CB 4.12Å; L92-N101 VanDerWaalsContact CD2-O 3.31Å; L92-N101 WeakPolarHBondContact CD2-O 3.4Å; L92-N101 HydrophobicContact CG-CB 4.25Å; L92-A107 HydrophobicContact CD1-CB 3.8Å
93	H	95.9	Very high	91.3	Very high	26 Å²	26	45.4 Å²	45.4	12%	0.12	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-64	-18.6	176.8	72.3	-83.7	0	0	0	114.6	S58 R60 L91	S58-H93 WeakPolarHBondContact CB-ND1 3.47Å; S58-H93 WeakPolarHBondContact O-CB 3.39Å; S58-H93 PolarHBondContact OG-ND1 3.39Å; R60-H93 HydrophobicContact CG-CB 3.82Å; L91-H93 VanDerWaalsContact C-N 3.27Å; L91-H93 PolarHBondContact O-N 2.86Å
94	K	96.3	Very high	92.6	Very high	119 Å²	119	43.4 Å²	43.4	52%	0.517	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-97	-5.5	176.7	-59.2	-167.8	175.6	-178.7	0	113.1	E69 L91 L92	E69-K94 IonicContact OE1-NZ 2.66Å; E69-K94 PolarHBondContact OE1-NZ 2.91Å; L91-K94 HydrophobicContact CB-CB 4.42Å; L91-K94 HydrophobicContact CB-CD 4.39Å; L91-K94 HydrophobicContact CB-CG 4.21Å; L91-K94 HydrophobicContact CD1-CD 4.25Å; L91-K94 WeakPolarHBondContact O-CA 3.27Å; L91-K94 PolarHBondContact O-N 2.98Å; L92-K94 PolarHBondContact O-N 3.47Å; L92-K94 VanDerWaalsContact O-N 3.16Å
95	L	94.9	Very high	93.9	Very high	12 Å²	12	35.2 Å²	35.2	6%	0.063	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-45.5	-176.8	-174.3	65.8	0	0	0	111	V90 L91 L92 A107 R110 L111	V90-L95 HydrophobicContact CG1-CD1 4.25Å; L91-L95 PolarHBondContact O-N 2.81Å; L92-L95 HydrophobicContact CD1-CD2 4.17Å; L92-L95 VanDerWaalsContact O-CB 3.28Å; L92-L95 WeakPolarHBondContact O-CB 3.25Å; L92-L95 PolarHBondContact O-N 3.49Å; L95-A107 HydrophobicContact CD2-CB 3.56Å; L95-R110 HydrophobicContact CD1-CG 4.35Å; L95-R110 PolarHBondContact O-NH1 2.57Å; L95-R110 PolarHBondContact O-NH2 3.12Å; L95-L111 HydrophobicContact CD1-CD2 4.21Å; L95-L111 HydrophobicContact CD2-CD2 4.18Å; L95-L111 HydrophobicContact CD2-CG 4.2Å
96	S	92.9	Very high	94.7	Very high	37 Å²	37	35.6 Å²	35.6	26%	0.259	19%	0.185	S	C	.	.			trans	-155.3	175.3	171.8	78.8	0	0	0	0	111.8	R60 Y98 N101	R60-S96 PolarHBondContact NH2-O 3.25Å; S96-Y98 PolarHBondContact O-N 2.73Å; S96-Y98 WeakPolarHBondContact OG-CB 3.3Å; S96-Y98 PolarHBondContact OG-N 2.86Å; S96-Y98 VanDerWaalsContact OG-N 3.11Å; S96-N101 PolarHBondContact OG-ND2 3.12Å
97	H	89.4	Confident	95.2	Very high	180 Å²	180	31.5 Å²	31.5	83%	0.833	16%	0.157	S	C	*	.	S	Bend	trans	-69.7	-12	171.5	-67.1	-71	0	0	0	113.5	R60 D99	R60-H97 PolarHBondContact NH1-O 3.16Å; R60-H97 VanDerWaalsContact NH2-CA 3.25Å; R60-H97 PolarHBondContact NH2-O 3.33Å; H97-D99 PolarHBondContact O-N 3.19Å
98	Y	91.7	Very high	95.3	Very high	49 Å²	49	31.5 Å²	31.5	19%	0.192	16%	0.156	C	C	.	.			trans	-74.5	123.5	177.7	-172	-125	0	0	0	111.6	S96 G100 N101 P106 L380 D383 G384	S96-Y98 PolarHBondContact O-N 2.73Å; S96-Y98 WeakPolarHBondContact OG-CB 3.3Å; S96-Y98 PolarHBondContact OG-N 2.86Å; S96-Y98 VanDerWaalsContact OG-N 3.11Å; Y98-G100 VanDerWaalsContact CE1-CA 3.46Å; Y98-N101 PolarHBondContact O-ND2 3.36Å; Y98-P106 HydrophobicContact CD1-CB 4.38Å; Y98-P106 HydrophobicContact CE1-CB 4.01Å; Y98-P106 HydrophobicContact CE1-CG 4.44Å; Y98-L380 WeakPolarHBondContact CE1-O 3.48Å; Y98-L380 VanDerWaalsContact OH-CA 3.3Å; Y98-L380 WeakPolarHBondContact OH-CA 3.49Å; Y98-L380 PolarHBondContact OH-O 3.21Å; Y98-D383 HydrophobicContact CE2-CB 4.39Å; Y98-D383 WeakPolarHBondContact OH-CA 3.18Å; Y98-G384 PolarHBondContact OH-N 2.64Å; Y98-G384 PolarHBondContact OH-O 3.09Å
99	D	89.2	Confident	95.3	Very high	38 Å²	38	29.1 Å²	29.1	20%	0.203	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-69.7	-37	-178.5	-170.8	69.1	0	0	0	111.7	H97 N101 W102 S386	H97-D99 PolarHBondContact O-N 3.19Å; D99-N101 PolarHBondContact O-N 3.23Å; D99-W102 PolarHBondContact O-N 2.93Å; D99-S386 WeakPolarHBondContact OD2-CB 3.35Å; D99-S386 PolarHBondContact OD2-OG 2.83Å
100	G	93.4	Very high	95.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.01	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-61	-9.5	-175.9	0	0	0	0	0	115.6	Y98 W102 S103	Y98-G100 VanDerWaalsContact CE1-CA 3.46Å; G100-W102 PolarHBondContact O-N 2.92Å; G100-W102 VanDerWaalsContact O-N 3.07Å; G100-S103 PolarHBondContact O-N 3.4Å; G100-S103 PolarHBondContact O-OG 3.48Å
101	N	95.3	Very high	95.2	Very high	10 Å²	10	33.7 Å²	33.7	5%	0.053	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-52.1	-28.1	169.9	-73.2	-31	0	0	0	113	L92 S96 Y98 D99 S103 I104 A107	L92-N101 HydrophobicContact CD1-CB 4.12Å; L92-N101 VanDerWaalsContact CD2-O 3.31Å; L92-N101 WeakPolarHBondContact CD2-O 3.4Å; L92-N101 HydrophobicContact CG-CB 4.25Å; S96-N101 PolarHBondContact OG-ND2 3.12Å; Y98-N101 PolarHBondContact O-ND2 3.36Å; D99-N101 PolarHBondContact O-N 3.23Å; N101-S103 PolarHBondContact O-N 3.07Å; N101-S103 VanDerWaalsContact O-N 3.14Å; N101-I104 PolarHBondContact O-N 2.87Å; N101-A107 HydrophobicContact CB-CB 4.15Å
102	W	95.5	Very high	95.2	Very high	25 Å²	25	33.5 Å²	33.5	10%	0.095	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-56.5	-27.8	177.4	76.2	-105.3	0	0	0	113	D99 G100 I104 T208 L211 R375 L380 S386	D99-W102 PolarHBondContact O-N 2.93Å; G100-W102 PolarHBondContact O-N 2.92Å; G100-W102 VanDerWaalsContact O-N 3.07Å; W102-I104 PolarHBondContact O-N 3.02Å; W102-T208 HydrophobicContact CH2-CG2 3.56Å; W102-T208 HydrophobicContact CZ2-CG2 4.13Å; W102-T208 HydrophobicContact CZ3-CG2 4.15Å; W102-L211 HydrophobicContact CE3-CD2 3.98Å; W102-L211 HydrophobicContact CZ3-CB 4.43Å; W102-L211 HydrophobicContact CZ3-CD2 3.96Å; W102-L211 WeakPolarHBondContact O-CD2 3.16Å; W102-R375 VanDerWaalsContact CD2-NE 3.31Å; W102-R375 VanDerWaalsContact CD2-NH2 3.3Å; W102-R375 VanDerWaalsContact CE2-NE 3.29Å; W102-R375 VanDerWaalsContact CE3-NH2 3.32Å; W102-R375 VanDerWaalsContact CG-CZ 3.45Å; W102-R375 VanDerWaalsContact CG-NH2 3.34Å; W102-R375 HydrophobicContact CZ2-CG 4.07Å; W102-L380 HydrophobicContact CZ2-CD1 3.74Å; W102-S386 PolarHBondContact NE1-OG 3.4Å
103	S	95.9	Very high	95.2	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.042	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-81.3	6.2	177.2	68	0	0	0	0	114.1	G100 N101 L105 P106 L211	G100-S103 PolarHBondContact O-N 3.4Å; G100-S103 PolarHBondContact O-OG 3.48Å; N101-S103 PolarHBondContact O-N 3.07Å; N101-S103 VanDerWaalsContact O-N 3.14Å; S103-L105 PolarHBondContact O-N 3.4Å; S103-P106 WeakPolarHBondContact OG-CD 3.27Å; S103-P106 WeakPolarHBondContact OG-CG 3.48Å; S103-L211 VanDerWaalsContact O-CD1 3.24Å; S103-L211 WeakPolarHBondContact O-CD1 3.03Å
104	I	97.2	Very high	95.3	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.015	21%	0.205	C	C	.	.	S	Bend	trans	66	-48.4	173	-57.9	175.7	0	0	0	114.8	Q57 N101 W102 A107 L108 F124 F180 W184 L211 I215	Q57-I104 HydrophobicContact CG-CD1 4.21Å; N101-I104 PolarHBondContact O-N 2.87Å; W102-I104 PolarHBondContact O-N 3.02Å; I104-A107 CarbonylContact O-C 3.58Å; I104-A107 WeakPolarHBondContact O-CA 3.38Å; I104-A107 WeakPolarHBondContact O-CB 3.3Å; I104-A107 PolarHBondContact O-N 3.42Å; I104-L108 PolarHBondContact O-N 3.34Å; I104-F124 HydrophobicContact CD1-CD1 4.13Å; I104-F124 HydrophobicContact CD1-CE1 4.47Å; I104-F124 HydrophobicContact CG2-CD1 4.36Å; I104-F124 HydrophobicContact CG2-CE1 3.68Å; I104-F124 HydrophobicContact CG2-CZ 3.92Å; I104-F180 HydrophobicContact CD1-CE2 4.06Å; I104-F180 HydrophobicContact CD1-CZ 4.24Å; I104-W184 HydrophobicContact CD1-CZ2 3.64Å; I104-W184 HydrophobicContact CG2-CH2 4.37Å; I104-W184 HydrophobicContact CG2-CZ2 4.4Å; I104-L211 HydrophobicContact CD1-CD2 4.41Å; I104-I215 HydrophobicContact CB-CD1 3.64Å; I104-I215 HydrophobicContact CD1-CD1 3.67Å; I104-I215 HydrophobicContact CG1-CD1 4.13Å; I104-I215 HydrophobicContact CG2-CD1 3.93Å
105	L	96.4	Very high	95.3	Very high	14 Å²	14	38.5 Å²	38.5	7%	0.073	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-47	179.9	-61.9	-178.4	0	0	0	111.9	S103 A107 L108 P109 T194 V198 P203 I215 Y218	S103-L105 PolarHBondContact O-N 3.4Å; L105-A107 PolarHBondContact O-N 3.42Å; L105-L108 PolarHBondContact O-N 3.47Å; L105-P109 WeakPolarHBondContact O-CD 3.32Å; L105-T194 HydrophobicContact CD2-CG2 4.42Å; L105-V198 HydrophobicContact CB-CG2 4.06Å; L105-V198 HydrophobicContact CD2-CG2 4.22Å; L105-P203 HydrophobicContact CD1-CG 3.58Å; L105-I215 HydrophobicContact CD2-CG1 4.46Å; L105-I215 HydrophobicContact CG-CG1 4.42Å; L105-Y218 HydrophobicContact CD1-CD1 4.07Å; L105-Y218 HydrophobicContact CD1-CD2 4.25Å; L105-Y218 HydrophobicContact CD1-CG 3.87Å; L105-Y218 HydrophobicContact CD2-CD1 3.72Å; L105-Y218 HydrophobicContact CD2-CE1 4.24Å; L105-Y218 HydrophobicContact CD2-CG 4.28Å
106	P	95.4	Very high	95.4	Very high	28 Å²	28	38.1 Å²	38.1	18%	0.182	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.6	175.8	-22.7	36.1	0	0	0	113.9	Y98 S103 L380	Y98-P106 HydrophobicContact CD1-CB 4.38Å; Y98-P106 HydrophobicContact CE1-CB 4.01Å; Y98-P106 HydrophobicContact CE1-CG 4.44Å; S103-P106 WeakPolarHBondContact OG-CD 3.27Å; S103-P106 WeakPolarHBondContact OG-CG 3.48Å; P106-L380 HydrophobicContact CG-CB 4.37Å; P106-L380 VanDerWaalsContact CG-O 3.31Å; P106-L380 WeakPolarHBondContact CG-O 3.43Å
107	A	96.6	Very high	95.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-26.3	178	0	0	0	0	0	112.7	L92 L95 N101 I104 L105 R110 L111	L92-A107 HydrophobicContact CD1-CB 3.8Å; L95-A107 HydrophobicContact CD2-CB 3.56Å; N101-A107 HydrophobicContact CB-CB 4.15Å; I104-A107 CarbonylContact O-C 3.58Å; I104-A107 WeakPolarHBondContact O-CA 3.38Å; I104-A107 WeakPolarHBondContact O-CB 3.3Å; I104-A107 PolarHBondContact O-N 3.42Å; L105-A107 PolarHBondContact O-N 3.42Å; A107-R110 PolarHBondContact O-N 3.44Å; A107-R110 VanDerWaalsContact O-N 3.15Å; A107-L111 HydrophobicContact CB-CD1 4.09Å; A107-L111 WeakPolarHBondContact O-CG 3.4Å; A107-L111 PolarHBondContact O-N 3.43Å
108	L	97.4	Very high	95.6	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-61.4	-41.8	-169.2	-168.7	66	0	0	0	113.8	I104 L105 R110 L111 A112 F124 I186 A191 T194 A195	I104-L108 PolarHBondContact O-N 3.34Å; L105-L108 PolarHBondContact O-N 3.47Å; L108-R110 VanDerWaalsContact C-N 3.27Å; L108-R110 PolarHBondContact O-N 2.96Å; L108-L111 PolarHBondContact O-N 2.97Å; L108-A112 VanDerWaalsContact O-CB 3.32Å; L108-A112 WeakPolarHBondContact O-CB 3.2Å; L108-A112 PolarHBondContact O-N 2.93Å; L108-F124 HydrophobicContact CD1-CZ 4.32Å; L108-I186 HydrophobicContact CD1-CD1 4.04Å; L108-A191 HydrophobicContact CD1-CB 4.38Å; L108-T194 HydrophobicContact CD2-CG2 3.49Å; L108-T194 VanDerWaalsContact CD2-CG2 3.49Å; L108-A195 HydrophobicContact CG-CB 4.27Å
109	P	97	Very high	95.8	Very high	24 Å²	24	37.3 Å²	37.3	16%	0.156	19%	0.186	C	C	.	.	H	α-helix	trans	-52.8	-44.3	173.5	-29.3	36.2	0	0	0	113.6	L105 L113 A195 V198 N199	L105-P109 WeakPolarHBondContact O-CD 3.32Å; P109-L113 WeakPolarHBondContact O-CB 3.38Å; P109-L113 PolarHBondContact O-N 3.19Å; P109-A195 HydrophobicContact CG-CB 4.49Å; P109-V198 HydrophobicContact CG-CB 4.09Å; P109-V198 HydrophobicContact CG-CG1 3.91Å; P109-N199 WeakPolarHBondContact CG-OD1 3.16Å
110	R	96.7	Very high	96.2	Very high	121 Å²	121	37.3 Å²	37.3	46%	0.457	19%	0.186	S	C	.	.	H	α-helix	trans	-71.1	-43.6	179.3	-176.6	170.5	177.8	-179.9	-7.6	112	L95 A107 L108 Q114	L95-R110 HydrophobicContact CD1-CG 4.35Å; L95-R110 PolarHBondContact O-NH1 2.57Å; L95-R110 PolarHBondContact O-NH2 3.12Å; A107-R110 PolarHBondContact O-N 3.44Å; A107-R110 VanDerWaalsContact O-N 3.15Å; L108-R110 VanDerWaalsContact C-N 3.27Å; L108-R110 PolarHBondContact O-N 2.96Å; R110-Q114 VanDerWaalsContact O-CB 3.27Å; R110-Q114 WeakPolarHBondContact O-CB 3.39Å; R110-Q114 PolarHBondContact O-N 2.85Å
111	L	97.9	Very high	96.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-48.1	178.1	-67.2	169.6	0	0	0	111.1	L53 V55 V90 L95 A107 L108 Q114 Y115 F124	L53-L111 HydrophobicContact CD2-CD2 4.28Å; V55-L111 HydrophobicContact CG1-CD1 4.41Å; V55-L111 HydrophobicContact CG2-CD1 4.2Å; V55-L111 HydrophobicContact CG2-CD2 4.12Å; V90-L111 HydrophobicContact CG1-CD2 4.18Å; L95-L111 HydrophobicContact CD1-CD2 4.21Å; L95-L111 HydrophobicContact CD2-CD2 4.18Å; L95-L111 HydrophobicContact CD2-CG 4.2Å; A107-L111 HydrophobicContact CB-CD1 4.09Å; A107-L111 WeakPolarHBondContact O-CG 3.4Å; A107-L111 PolarHBondContact O-N 3.43Å; L108-L111 PolarHBondContact O-N 2.97Å; L111-Q114 PolarHBondContact O-N 3.4Å; L111-Y115 HydrophobicContact CD2-CD2 4.38Å; L111-Y115 HydrophobicContact CD2-CE2 4.32Å; L111-Y115 WeakPolarHBondContact O-CB 3.27Å; L111-Y115 WeakPolarHBondContact O-CD2 3.43Å; L111-Y115 PolarHBondContact O-N 3.41Å; L111-F124 HydrophobicContact CD1-CE1 4.26Å
112	A	98	Very high	96.6	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-64.4	-45.7	179.7	0	0	0	0	0	111.9	L108 Q114 C116 A191 K192 A195	L108-A112 VanDerWaalsContact O-CB 3.32Å; L108-A112 WeakPolarHBondContact O-CB 3.2Å; L108-A112 PolarHBondContact O-N 2.93Å; A112-Q114 VanDerWaalsContact C-N 3.34Å; A112-Q114 PolarHBondContact O-N 3.11Å; A112-C116 VanDerWaalsContact O-CB 3.28Å; A112-C116 WeakPolarHBondContact O-CB 3.27Å; A112-C116 PolarHBondContact O-N 3.27Å; A112-C116 VanDerWaalsContact O-N 3.16Å; A112-A191 HydrophobicContact CB-CB 4.4Å; A112-K192 HydrophobicContact CB-CG 4.42Å; A112-A195 HydrophobicContact CB-CB 3.69Å
113	L	96.9	Very high	96.7	Very high	126 Å²	126	35.6 Å²	35.6	66%	0.66	18%	0.178	S	C	*	.	H	α-helix	trans	-60.8	-43.1	179.7	-179.4	65.6	0	0	0	112.1	P109 Q117	P109-L113 WeakPolarHBondContact O-CB 3.38Å; P109-L113 PolarHBondContact O-N 3.19Å; L113-Q117 PolarHBondContact O-NE2 3.32Å
114	Q	96.8	Very high	96.9	Very high	95 Å²	95	35.3 Å²	35.3	44%	0.444	18%	0.176	S	C	.	.	H	α-helix	trans	-82.4	-38.8	-172.1	-175.1	173.5	-14.8	0	0	113.1	R110 L111 A112	R110-Q114 VanDerWaalsContact O-CB 3.27Å; R110-Q114 WeakPolarHBondContact O-CB 3.39Å; R110-Q114 PolarHBondContact O-N 2.85Å; L111-Q114 PolarHBondContact O-N 3.4Å; A112-Q114 VanDerWaalsContact C-N 3.34Å; A112-Q114 PolarHBondContact O-N 3.11Å
115	Y	97.4	Very high	96.9	Very high	30 Å²	30	35.1 Å²	35.1	12%	0.118	18%	0.175	C	C	.	.	H	α-helix	trans	-111.8	-26.2	-167.3	-62.8	-82.3	0	0	0	114	L53 D88 V90 L111 Q117 T118 S119	L53-Y115 HydrophobicContact CD1-CD1 3.81Å; L53-Y115 HydrophobicContact CD1-CD2 4.31Å; L53-Y115 HydrophobicContact CD1-CE1 4.05Å; L53-Y115 HydrophobicContact CD1-CG 3.94Å; L53-Y115 HydrophobicContact CD2-CD1 4.41Å; L53-Y115 HydrophobicContact CD2-CD2 3.78Å; L53-Y115 HydrophobicContact CD2-CG 3.7Å; L53-Y115 HydrophobicContact CG-CG 4.34Å; D88-Y115 HydrophobicContact CB-CD1 4.07Å; D88-Y115 HydrophobicContact CB-CE1 3.96Å; V90-Y115 HydrophobicContact CG2-CE1 4.27Å; V90-Y115 HydrophobicContact CG2-CE2 3.84Å; V90-Y115 VanDerWaalsContact CG2-OH 3.31Å; V90-Y115 WeakPolarHBondContact CG2-OH 3.42Å; L111-Y115 HydrophobicContact CD2-CD2 4.38Å; L111-Y115 HydrophobicContact CD2-CE2 4.32Å; L111-Y115 WeakPolarHBondContact O-CB 3.27Å; L111-Y115 WeakPolarHBondContact O-CD2 3.43Å; L111-Y115 PolarHBondContact O-N 3.41Å; Y115-Q117 PolarHBondContact O-N 3.35Å; Y115-T118 PolarHBondContact O-N 3.36Å; Y115-T118 VanDerWaalsContact O-N 3.13Å; Y115-T118 PolarHBondContact O-OG1 2.83Å; Y115-S119 WeakPolarHBondContact O-CB 3.4Å; Y115-S119 PolarHBondContact O-N 2.76Å; Y115-S119 PolarHBondContact O-OG 3.43Å
116	C	97.1	Very high	96.9	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.034	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	15.4	-180	-74.2	0	0	0	0	114.7	A112 C188 K192	A112-C116 VanDerWaalsContact O-CB 3.28Å; A112-C116 WeakPolarHBondContact O-CB 3.27Å; A112-C116 PolarHBondContact O-N 3.27Å; A112-C116 VanDerWaalsContact O-N 3.16Å; C116-C188 WeakPolarHBondContact CA-SG 3.27Å; C116-C188 HydrophobicContact CB-CB 3.48Å; C116-C188 VanDerWaalsContact CB-CB 3.48Å; C116-C188 WeakPolarHBondContact CB-SG 3.36Å; C116-C188 WeakPolarHBondContact SG-CA 3.29Å; C116-C188 WeakPolarHBondContact SG-CB 3.3Å; C116-C188 CovalentContact SG-SG 2.05Å; C116-C188 PolarHBondContact SG-SG 3.06Å; C116-K192 HydrophobicContact CB-CD 4.46Å; C116-K192 HydrophobicContact CB-CG 4.3Å; C116-K192 VanDerWaalsContact O-CE 3.26Å; C116-K192 WeakPolarHBondContact O-CE 3.49Å; C116-K192 PolarHBondContact O-NZ 2.81Å
117	Q	93.2	Very high	96.8	Very high	153 Å²	153	35.2 Å²	35.2	72%	0.715	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-30.7	165.9	-58.3	-176.4	16.8	0	0	111.4	L113 Y115	L113-Q117 PolarHBondContact O-NE2 3.32Å; Y115-Q117 PolarHBondContact O-N 3.35Å
118	T	92.6	Very high	96.5	Very high	92 Å²	92	36.7 Å²	36.7	56%	0.564	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-34.8	-176	52.6	0	0	0	0	112.3	Y115	Y115-T118 PolarHBondContact O-N 3.36Å; Y115-T118 VanDerWaalsContact O-N 3.13Å; Y115-T118 PolarHBondContact O-OG1 2.83Å
119	S	96.1	Very high	96.4	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.028	18%	0.178	C	C	.	.			trans	-84.8	152.6	175.5	-59.1	0	0	0	0	111.8	Y115 C188	Y115-S119 WeakPolarHBondContact O-CB 3.4Å; Y115-S119 PolarHBondContact O-N 2.76Å; Y115-S119 PolarHBondContact O-OG 3.43Å; S119-C188 PolarHBondContact O-SG 3.41Å
120	L	97.1	Very high	96.2	Very high	37 Å²	37	36.7 Å²	36.7	19%	0.194	18%	0.178	C	C	.	.	S	Bend	trans	-101.1	-27.1	172.1	-59.3	179.7	0	0	0	112.1	I47 D51 P145 C188	I47-L120 HydrophobicContact CD1-CD1 3.76Å; D51-L120 HydrophobicContact CB-CB 4.15Å; D51-L120 HydrophobicContact CB-CD1 3.86Å; D51-L120 HydrophobicContact CB-CG 3.88Å; D51-L120 PolarHBondContact O-N 2.87Å; L120-P145 HydrophobicContact CB-CB 3.91Å; L120-P145 HydrophobicContact CD1-CB 3.95Å; L120-P145 HydrophobicContact CD1-CG 4.04Å; L120-P145 HydrophobicContact CD2-CB 4.2Å; L120-P145 HydrophobicContact CG-CB 4.24Å; L120-C188 WeakPolarHBondContact O-CB 3.49Å; L120-C188 PolarHBondContact O-N 3.14Å
121	W	98.3	Very high	96.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	148.3	-175.5	-64.4	96.9	0	0	0	111.7	D51 V52 L53 L140 F143 W149 L151 A185	D51-W121 PolarHBondContact O-N 3.32Å; V52-W121 HydrophobicContact CG1-CB 4.38Å; V52-W121 HydrophobicContact CG2-CB 4.41Å; L53-W121 PolarHBondContact N-O 3.17Å; W121-L140 HydrophobicContact CB-CD1 4.24Å; W121-L140 HydrophobicContact CD2-CD1 4.49Å; W121-L140 HydrophobicContact CD2-CD2 3.88Å; W121-L140 HydrophobicContact CE3-CD2 3.96Å; W121-L140 HydrophobicContact CG-CD1 4.02Å; W121-L140 HydrophobicContact CG-CD2 4.27Å; W121-L140 HydrophobicContact CZ3-CD2 4.33Å; W121-F143 HydrophobicContact CH2-CB 3.58Å; W121-F143 HydrophobicContact CH2-CG 4.34Å; W121-F143 HydrophobicContact CZ2-CB 3.69Å; W121-W149 HydrophobicContact CH2-CB 3.69Å; W121-W149 AromaticContact CH2-CD1 3.64Å; W121-W149 AromaticContact CH2-CG 3.82Å; W121-W149 HydrophobicContact CH2-CG 3.82Å; W121-W149 HydrophobicContact CZ3-CB 3.7Å; W121-W149 HydrophobicContact CZ3-CG 4.35Å; W121-L151 HydrophobicContact CE3-CD1 4.38Å; W121-L151 HydrophobicContact CH2-CD1 3.8Å; W121-L151 HydrophobicContact CZ3-CD1 3.54Å; W121-L151 HydrophobicContact CZ3-CG 4.09Å; W121-A185 HydrophobicContact CE3-CB 4.45Å
122	I	98.7	Very high	96.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.2	163.8	-52.2	-177	0	0	0	107.7	L53 V55 F124 A185 I186 A191	L53-I122 HydrophobicContact CB-CG1 4.43Å; L53-I122 HydrophobicContact CD2-CD1 4.24Å; L53-I122 HydrophobicContact CD2-CG1 4.09Å; L53-I122 HydrophobicContact CD2-CG2 3.99Å; L53-I122 HydrophobicContact CG-CG2 4.34Å; L53-I122 CarbonylContact O-C 3.35Å; L53-I122 WeakPolarHBondContact O-CA 3.28Å; V55-I122 HydrophobicContact CG2-CG2 3.68Å; I122-F124 HydrophobicContact CB-CE2 4.15Å; I122-F124 HydrophobicContact CB-CZ 4.46Å; I122-F124 HydrophobicContact CG2-CD2 4.12Å; I122-F124 HydrophobicContact CG2-CE1 4.11Å; I122-F124 HydrophobicContact CG2-CE2 3.58Å; I122-F124 HydrophobicContact CG2-CZ 3.57Å; I122-A185 CarbonylContact O-C 3.58Å; I122-A185 WeakPolarHBondContact O-CA 2.89Å; I122-I186 HydrophobicContact CB-CG1 4.09Å; I122-I186 PolarHBondContact N-O 3.28Å; I122-I186 PolarHBondContact O-N 3.22Å; I122-A191 HydrophobicContact CD1-CB 3.74Å
123	M	98.6	Very high	95.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	117	174.5	-176.4	68.6	-164	0	0	109.5	V52 L53 F54 V55 L125 L136 A185 F234 T249	V52-M123 HydrophobicContact CG1-CB 4.08Å; L53-M123 PolarHBondContact O-N 3.37Å; F54-M123 WeakPolarHBondContact CA-O 3.3Å; F54-M123 HydrophobicContact CD1-CB 3.94Å; F54-M123 HydrophobicContact CD1-CG 4.07Å; F54-M123 HydrophobicContact CE1-CB 4.16Å; F54-M123 HydrophobicContact CE1-CG 4.15Å; V55-M123 PolarHBondContact N-O 3.17Å; M123-L125 HydrophobicContact CE-CD2 3.57Å; M123-L125 HydrophobicContact CG-CD2 3.94Å; M123-L125 HydrophobicContact CG-CG 4.2Å; M123-L136 HydrophobicContact CG-CD2 4.49Å; M123-L136 HydrophobicContact SD-CD1 4.21Å; M123-A185 HydrophobicContact SD-CB 3.82Å; M123-F234 HydrophobicContact CE-CE1 4.45Å; M123-F234 HydrophobicContact CE-CE2 4.09Å; M123-F234 HydrophobicContact CE-CZ 4.06Å; M123-F234 HydrophobicContact SD-CE2 4.22Å; M123-F234 HydrophobicContact SD-CZ 3.95Å; M123-T249 HydrophobicContact CE-CG2 3.76Å
124	F	98.8	Very high	95.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.6	175.7	-63.8	-86.8	0	0	0	110.4	V55 I104 L108 L111 I122 G183 W184 I186	V55-F124 HydrophobicContact CB-CD1 3.75Å; V55-F124 HydrophobicContact CB-CE1 3.99Å; V55-F124 HydrophobicContact CG1-CD1 3.89Å; V55-F124 HydrophobicContact CG1-CE1 4.01Å; V55-F124 HydrophobicContact CG2-CD1 4.38Å; V55-F124 HydrophobicContact CG2-CE1 4.18Å; V55-F124 WeakPolarHBondContact O-CA 3.5Å; I104-F124 HydrophobicContact CD1-CD1 4.13Å; I104-F124 HydrophobicContact CD1-CE1 4.47Å; I104-F124 HydrophobicContact CG2-CD1 4.36Å; I104-F124 HydrophobicContact CG2-CE1 3.68Å; I104-F124 HydrophobicContact CG2-CZ 3.92Å; L108-F124 HydrophobicContact CD1-CZ 4.32Å; L111-F124 HydrophobicContact CD1-CE1 4.26Å; I122-F124 HydrophobicContact CB-CE2 4.15Å; I122-F124 HydrophobicContact CB-CZ 4.46Å; I122-F124 HydrophobicContact CG2-CD2 4.12Å; I122-F124 HydrophobicContact CG2-CE1 4.11Å; I122-F124 HydrophobicContact CG2-CE2 3.58Å; I122-F124 HydrophobicContact CG2-CZ 3.57Å; F124-G183 VanDerWaalsContact O-CA 3.29Å; F124-G183 WeakPolarHBondContact O-CA 3.35Å; F124-W184 HydrophobicContact CB-CD2 4Å; F124-W184 HydrophobicContact CB-CG 4.21Å; F124-W184 HydrophobicContact CB-CZ2 4.05Å; F124-W184 HydrophobicContact CD1-CZ2 4.25Å; F124-W184 AromaticContact CD2-CD2 3.77Å; F124-W184 HydrophobicContact CD2-CD2 3.77Å; F124-W184 AromaticContact CD2-CE2 3.66Å; F124-W184 AromaticContact CD2-CE3 3.72Å; F124-W184 HydrophobicContact CD2-CE3 3.72Å; F124-W184 AromaticContact CD2-CH2 3.53Å; F124-W184 HydrophobicContact CD2-CH2 3.53Å; F124-W184 AromaticContact CD2-CZ2 3.56Å; F124-W184 HydrophobicContact CD2-CZ2 3.56Å; F124-W184 AromaticContact CD2-CZ3 3.63Å; F124-W184 HydrophobicContact CD2-CZ3 3.63Å; F124-W184 HydrophobicContact CE2-CE3 4.25Å; F124-W184 AromaticContact CE2-CH2 3.56Å; F124-W184 HydrophobicContact CE2-CH2 3.56Å; F124-W184 AromaticContact CE2-CZ2 4Å; F124-W184 HydrophobicContact CE2-CZ2 4Å; F124-W184 AromaticContact CE2-CZ3 3.71Å; F124-W184 HydrophobicContact CE2-CZ3 3.71Å; F124-W184 HydrophobicContact CG-CD2 4.19Å; F124-W184 AromaticContact CG-CE2 3.71Å; F124-W184 HydrophobicContact CG-CH2 4.13Å; F124-W184 AromaticContact CG-CZ2 3.69Å; F124-W184 HydrophobicContact CG-CZ2 3.69Å; F124-W184 HydrophobicContact CZ-CH2 4.18Å; F124-W184 PolarHBondContact N-O 3.05Å; F124-W184 PolarHBondContact O-N 3.42Å; F124-W184 VanDerWaalsContact O-N 3.12Å; F124-I186 HydrophobicContact CE2-CD1 3.88Å; F124-I186 HydrophobicContact CE2-CG1 3.97Å; F124-I186 HydrophobicContact CZ-CD1 4.38Å
125	L	98.1	Very high	95.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.5	-176.8	-58.3	173.2	0	0	0	110.1	F54 V55 I56 Q57 I75 M123 T129 V131 T249	F54-L125 HydrophobicContact CD1-CD1 3.92Å; V55-L125 PolarHBondContact O-N 3.01Å; I56-L125 WeakPolarHBondContact CA-O 3.38Å; Q57-L125 WeakPolarHBondContact CB-O 3.48Å; Q57-L125 PolarHBondContact N-O 3.36Å; I75-L125 HydrophobicContact CD1-CD1 3.8Å; M123-L125 HydrophobicContact CE-CD2 3.57Å; M123-L125 HydrophobicContact CG-CD2 3.94Å; M123-L125 HydrophobicContact CG-CG 4.2Å; L125-T129 HydrophobicContact CD2-CG2 3.73Å; L125-V131 HydrophobicContact CD1-CG2 3.52Å; L125-V131 HydrophobicContact CD2-CG2 3.53Å; L125-V131 HydrophobicContact CG-CG2 4.19Å; L125-T249 HydrophobicContact CD2-CG2 4.48Å
126	Q	95.4	Very high	95.6	Very high	36 Å²	36	28.1 Å²	28.1	17%	0.168	14%	0.143	C	C	.	.			trans	-79.3	167.5	160.6	-66.7	-175.1	-26.2	0	0	109.9	E128 T129 F180	Q126-E128 PolarHBondContact O-N 3.18Å; Q126-T129 PolarHBondContact N-OG1 2.88Å; Q126-T129 PolarHBondContact O-N 2.96Å; Q126-F180 HydrophobicContact CG-CB 4.49Å
127	E	93.7	Very high	95.4	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.037	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.8	-178.5	-65.5	168.1	148.1	0	0	111.5	I56 S58 Q59 H64 R67 A68 R71	I56-E127 HydrophobicContact CG2-CG 4Å; S58-E127 WeakPolarHBondContact CA-OE1 3.11Å; S58-E127 WeakPolarHBondContact CB-OE1 3.24Å; Q59-E127 PolarHBondContact N-OE1 2.93Å; H64-E127 WeakPolarHBondContact CB-OE1 3.22Å; H64-E127 IonicContact CE1-OE2 2.93Å; H64-E127 IonicContact CG-OE2 2.8Å; H64-E127 IonicContact ND1-OE1 3.68Å; H64-E127 IonicContact ND1-OE2 3.66Å; H64-E127 PolarHBondContact ND1-OE2 2.83Å; H64-E127 VanDerWaalsContact O-OE1 3.06Å; R67-E127 HydrophobicContact CB-CB 4.17Å; A68-E127 HydrophobicContact CB-CG 4.23Å; R71-E127 PolarHBondContact NE-O 2.64Å
128	E	90.6	Very high	95.5	Very high	30 Å²	30	26.5 Å²	26.5	14%	0.14	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-24	178.2	-62.8	58.2	-132.4	0	0	113.2	R67 R71 Q126 I130 N252	R67-E128 IonicContact CZ-OE1 3.68Å; R67-E128 IonicContact NE-OE1 2.98Å; R67-E128 PolarHBondContact NE-OE1 2.81Å; R67-E128 VanDerWaalsContact NH2-CD 3.34Å; R67-E128 VanDerWaalsContact NH2-CG 3.28Å; R67-E128 IonicContact NH2-OE1 3.56Å; R67-E128 PolarHBondContact NH2-OE1 3Å; R71-E128 PolarHBondContact NH2-O 2.87Å; Q126-E128 PolarHBondContact O-N 3.18Å; E128-I130 PolarHBondContact O-N 3.38Å; E128-N252 PolarHBondContact O-N 3.43Å
129	T	94.7	Very high	95.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	109.7	-170.8	-49.2	0	0	0	0	110.7	R71 L125 Q126 M181 T249 A250	R71-T129 WeakPolarHBondContact CD-O 3.34Å; R71-T129 VanDerWaalsContact CZ-O 3.29Å; R71-T129 PolarHBondContact NE-O 2.68Å; L125-T129 HydrophobicContact CD2-CG2 3.73Å; Q126-T129 PolarHBondContact N-OG1 2.88Å; Q126-T129 PolarHBondContact O-N 2.96Å; T129-M181 WeakPolarHBondContact CG2-O 3.48Å; T129-M181 PolarHBondContact OG1-O 2.89Å; T129-T249 HydrophobicContact CG2-CG2 4.15Å; T129-A250 CarbonylContact C-O 3.59Å; T129-A250 WeakPolarHBondContact CA-O 3Å
130	I	94.4	Very high	95.6	Very high	29 Å²	29	22.1 Å²	22.1	15%	0.149	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	141.9	170.7	-61	163.2	0	0	0	108.8	E128 H239 T249 A250 N252	E128-I130 PolarHBondContact O-N 3.38Å; I130-H239 HydrophobicContact CD1-CB 3.47Å; I130-H239 VanDerWaalsContact CD1-CB 3.47Å; I130-T249 CarbonylContact O-C 3.49Å; I130-T249 WeakPolarHBondContact O-CA 3.08Å; I130-A250 PolarHBondContact N-O 2.95Å; I130-A250 PolarHBondContact O-N 2.67Å; I130-N252 HydrophobicContact CD1-CB 4.1Å
131	V	95.6	Very high	95.5	Very high	10 Å²	10	23 Å²	23	6%	0.061	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.5	178.7	-176.5	0	0	0	0	109.6	F54 Q78 L125 L133 L136 A248 T249	F54-V131 HydrophobicContact CE1-CG1 4.38Å; Q78-V131 PolarHBondContact OE1-O 3.17Å; Q78-V131 VanDerWaalsContact OE1-O 3.13Å; L125-V131 HydrophobicContact CD1-CG2 3.52Å; L125-V131 HydrophobicContact CD2-CG2 3.53Å; L125-V131 HydrophobicContact CG-CG2 4.19Å; V131-L133 HydrophobicContact CG1-CD2 4.04Å; V131-L136 HydrophobicContact CG1-CB 4.26Å; V131-L136 HydrophobicContact CG1-CD2 3.75Å; V131-A248 CarbonylContact C-O 3.51Å; V131-A248 WeakPolarHBondContact CA-O 3.43Å; V131-T249 HydrophobicContact CG2-CG2 4.34Å
132	N	95.3	Very high	95.4	Very high	57 Å²	57	27.8 Å²	27.8	31%	0.305	14%	0.136	S	C	.	.			trans	-96.7	102.1	163.1	-178.1	-40	0	0	0	108.4	H134 N135 L136 A248	N132-H134 VanDerWaalsContact C-N 3.26Å; N132-H134 PolarHBondContact O-N 3.38Å; N132-H134 WeakPolarHBondContact OD1-CB 3.34Å; N132-H134 PolarHBondContact OD1-N 3.48Å; N132-H134 VanDerWaalsContact OD1-N 3.11Å; N132-N135 HydrophobicContact CB-CB 4.19Å; N132-N135 PolarHBondContact O-N 2.9Å; N132-N135 PolarHBondContact OD1-N 3.17Å; N132-N135 VanDerWaalsContact OD1-N 3.1Å; N132-L136 WeakPolarHBondContact O-CB 3.48Å; N132-L136 PolarHBondContact O-N 3.17Å; N132-A248 PolarHBondContact N-O 3.26Å
133	L	95.1	Very high	95.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.5	-31.6	-175.7	-73.9	-178.7	0	0	0	113.8	L49 F54 I75 Q78 A79 V131 L136 L137	L49-L133 HydrophobicContact CD1-CD1 3.85Å; L49-L133 HydrophobicContact CD2-CB 4.07Å; L49-L133 HydrophobicContact CD2-CD1 3.97Å; L49-L133 HydrophobicContact CD2-CD2 3.77Å; L49-L133 HydrophobicContact CD2-CG 4.14Å; F54-L133 HydrophobicContact CE1-CD2 3.97Å; F54-L133 HydrophobicContact CE2-CD2 4.1Å; F54-L133 HydrophobicContact CZ-CD2 3.35Å; I75-L133 HydrophobicContact CG2-CD1 4.47Å; Q78-L133 HydrophobicContact CB-CD1 3.91Å; Q78-L133 HydrophobicContact CG-CB 4.25Å; Q78-L133 HydrophobicContact CG-CD1 4Å; Q78-L133 HydrophobicContact CG-CG 4.28Å; Q78-L133 VanDerWaalsContact OE1-CB 3.3Å; A79-L133 HydrophobicContact CB-CD1 4.06Å; V131-L133 HydrophobicContact CG1-CD2 4.04Å; L133-L136 HydrophobicContact CD2-CD2 4.37Å; L133-L137 VanDerWaalsContact O-CG 3.28Å; L133-L137 WeakPolarHBondContact O-CG 3.4Å; L133-L137 PolarHBondContact O-N 2.95Å; L133-L137 VanDerWaalsContact O-N 3.08Å
134	H	92.8	Very high	95	Very high	102 Å²	102	31 Å²	31	47%	0.472	16%	0.156	S	C	.	.	H	α-helix	trans	-67	-51.8	177.5	-176.8	74.3	0	0	0	111.2	N132 L136 L137 Q138	N132-H134 VanDerWaalsContact C-N 3.26Å; N132-H134 PolarHBondContact O-N 3.38Å; N132-H134 WeakPolarHBondContact OD1-CB 3.34Å; N132-H134 PolarHBondContact OD1-N 3.48Å; N132-H134 VanDerWaalsContact OD1-N 3.11Å; H134-L136 VanDerWaalsContact C-N 3.31Å; H134-L136 PolarHBondContact O-N 3.24Å; H134-L137 PolarHBondContact O-N 3.5Å; H134-Q138 PolarHBondContact CD2-NE2 2.79Å; H134-Q138 PolarHBondContact NE2-NE2 3.12Å; H134-Q138 WeakPolarHBondContact O-CG 3.03Å; H134-Q138 PolarHBondContact O-N 3.09Å; H134-Q138 VanDerWaalsContact O-N 3.14Å
135	N	94.6	Very high	94.6	Very high	26 Å²	26	32.5 Å²	32.5	14%	0.139	17%	0.165	C	C	.	.	H	α-helix	trans	-63.6	-38.6	178.5	-68.6	-1.1	0	0	0	111.1	N132 Q138 V139 C247 A248	N132-N135 HydrophobicContact CB-CB 4.19Å; N132-N135 PolarHBondContact O-N 2.9Å; N132-N135 PolarHBondContact OD1-N 3.17Å; N132-N135 VanDerWaalsContact OD1-N 3.1Å; N135-Q138 WeakPolarHBondContact O-CB 2.96Å; N135-Q138 PolarHBondContact O-N 2.62Å; N135-V139 VanDerWaalsContact O-CG2 3.29Å; N135-V139 WeakPolarHBondContact O-CG2 3.34Å; N135-V139 PolarHBondContact O-N 3.04Å; N135-C247 PolarHBondContact ND2-O 3.13Å; N135-A248 HydrophobicContact CB-CB 4.08Å
136	L	96.3	Very high	94.3	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-60.4	-46.8	176.3	179.3	63.6	0	0	0	112.2	F54 M123 V131 N132 L133 H134 Q138 V139 L140 F234 A248	F54-L136 HydrophobicContact CE1-CD2 3.52Å; F54-L136 HydrophobicContact CZ-CD2 3.72Å; M123-L136 HydrophobicContact CG-CD2 4.49Å; M123-L136 HydrophobicContact SD-CD1 4.21Å; V131-L136 HydrophobicContact CG1-CB 4.26Å; V131-L136 HydrophobicContact CG1-CD2 3.75Å; N132-L136 WeakPolarHBondContact O-CB 3.48Å; N132-L136 PolarHBondContact O-N 3.17Å; L133-L136 HydrophobicContact CD2-CD2 4.37Å; H134-L136 VanDerWaalsContact C-N 3.31Å; H134-L136 PolarHBondContact O-N 3.24Å; L136-Q138 VanDerWaalsContact C-N 3.32Å; L136-Q138 PolarHBondContact O-N 3.46Å; L136-V139 WeakPolarHBondContact O-CB 3.21Å; L136-V139 PolarHBondContact O-N 2.93Å; L136-L140 HydrophobicContact CD1-CD1 4.09Å; L136-L140 HydrophobicContact CD1-CG 4.07Å; L136-L140 HydrophobicContact CG-CD1 4.07Å; L136-L140 HydrophobicContact CG-CG 4.39Å; L136-L140 WeakPolarHBondContact O-CG 3.47Å; L136-L140 PolarHBondContact O-N 2.81Å; L136-F234 HydrophobicContact CD1-CE1 3.8Å; L136-F234 HydrophobicContact CD1-CZ 4.08Å; L136-A248 HydrophobicContact CB-CB 4.16Å; L136-A248 HydrophobicContact CD1-CB 4.48Å
137	L	94.5	Very high	94.4	Very high	19 Å²	19	40.4 Å²	40.4	10%	0.099	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-39.8	178.2	-71.8	177.1	0	0	0	111.9	I47 L49 V52 V82 L133 H134 V139 L140 S141	I47-L137 HydrophobicContact CB-CD2 4.44Å; I47-L137 HydrophobicContact CG2-CD2 3.84Å; L49-L137 HydrophobicContact CD2-CD1 3.78Å; L49-L137 HydrophobicContact CD2-CD2 4.06Å; L49-L137 HydrophobicContact CD2-CG 3.99Å; L49-L137 HydrophobicContact CG-CD1 4.03Å; V52-L137 HydrophobicContact CG2-CD2 4.37Å; V82-L137 HydrophobicContact CG1-CD1 4.41Å; L133-L137 VanDerWaalsContact O-CG 3.28Å; L133-L137 WeakPolarHBondContact O-CG 3.4Å; L133-L137 PolarHBondContact O-N 2.95Å; L133-L137 VanDerWaalsContact O-N 3.08Å; H134-L137 PolarHBondContact O-N 3.5Å; L137-V139 VanDerWaalsContact C-N 3.34Å; L137-V139 PolarHBondContact O-N 3.19Å; L137-L140 PolarHBondContact O-N 2.79Å; L137-S141 VanDerWaalsContact O-CB 3.31Å; L137-S141 WeakPolarHBondContact O-CB 3.21Å; L137-S141 PolarHBondContact O-N 2.9Å
138	Q	93.7	Very high	94.6	Very high	105 Å²	105	43.2 Å²	43.2	49%	0.491	23%	0.232	S	C	.	.	H	α-helix	trans	-59.2	-46.4	172.8	-68.9	-177.3	-3.2	0	0	111.3	H134 N135 L136 S141	H134-Q138 PolarHBondContact CD2-NE2 2.79Å; H134-Q138 PolarHBondContact NE2-NE2 3.12Å; H134-Q138 WeakPolarHBondContact O-CG 3.03Å; H134-Q138 PolarHBondContact O-N 3.09Å; H134-Q138 VanDerWaalsContact O-N 3.14Å; N135-Q138 WeakPolarHBondContact O-CB 2.96Å; N135-Q138 PolarHBondContact O-N 2.62Å; L136-Q138 VanDerWaalsContact C-N 3.32Å; L136-Q138 PolarHBondContact O-N 3.46Å; Q138-S141 PolarHBondContact O-N 3.4Å; Q138-S141 PolarHBondContact O-OG 3.25Å
139	V	95.9	Very high	94.9	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.024	24%	0.236	C	C	.	.	H	α-helix	trans	-58.4	-52.6	177.7	162.9	0	0	0	0	111.6	N135 L136 L137 S141 R142 F143 V231 E233 F234 A248	N135-V139 VanDerWaalsContact O-CG2 3.29Å; N135-V139 WeakPolarHBondContact O-CG2 3.34Å; N135-V139 PolarHBondContact O-N 3.04Å; L136-V139 WeakPolarHBondContact O-CB 3.21Å; L136-V139 PolarHBondContact O-N 2.93Å; L137-V139 VanDerWaalsContact C-N 3.34Å; L137-V139 PolarHBondContact O-N 3.19Å; V139-S141 VanDerWaalsContact C-N 3.3Å; V139-S141 PolarHBondContact O-N 3.43Å; V139-R142 WeakPolarHBondContact O-CB 3.39Å; V139-R142 PolarHBondContact O-N 3.28Å; V139-R142 PolarHBondContact O-NE 2.77Å; V139-F143 WeakPolarHBondContact O-CD2 3.35Å; V139-F143 WeakPolarHBondContact O-CE2 3.06Å; V139-V231 HydrophobicContact CG1-CG1 3.68Å; V139-E233 HydrophobicContact CG2-CB 3.57Å; V139-E233 HydrophobicContact CG2-CG 3.76Å; V139-F234 HydrophobicContact CG1-CE1 3.92Å; V139-F234 HydrophobicContact CG1-CZ 4.36Å; V139-A248 HydrophobicContact CG2-CB 4.18Å
140	L	96.4	Very high	95.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.1	-30.4	-176.9	-65.3	179.7	0	0	0	112.4	V52 W121 L136 L137 R142 F143 L151 A185	V52-L140 HydrophobicContact CG1-CD1 4.33Å; V52-L140 HydrophobicContact CG2-CD1 3.74Å; W121-L140 HydrophobicContact CB-CD1 4.24Å; W121-L140 HydrophobicContact CD2-CD1 4.49Å; W121-L140 HydrophobicContact CD2-CD2 3.88Å; W121-L140 HydrophobicContact CE3-CD2 3.96Å; W121-L140 HydrophobicContact CG-CD1 4.02Å; W121-L140 HydrophobicContact CG-CD2 4.27Å; W121-L140 HydrophobicContact CZ3-CD2 4.33Å; L136-L140 HydrophobicContact CD1-CD1 4.09Å; L136-L140 HydrophobicContact CD1-CG 4.07Å; L136-L140 HydrophobicContact CG-CD1 4.07Å; L136-L140 HydrophobicContact CG-CG 4.39Å; L136-L140 WeakPolarHBondContact O-CG 3.47Å; L136-L140 PolarHBondContact O-N 2.81Å; L137-L140 PolarHBondContact O-N 2.79Å; L140-R142 PolarHBondContact O-N 2.88Å; L140-R142 VanDerWaalsContact O-N 3.15Å; L140-F143 PolarHBondContact O-N 3.26Å; L140-F143 VanDerWaalsContact O-N 3.12Å; L140-L151 HydrophobicContact CD2-CD1 3.98Å; L140-A185 HydrophobicContact CD2-CB 4.39Å
141	S	95	Very high	95.3	Very high	57 Å²	57	43.3 Å²	43.3	40%	0.399	23%	0.229	S	C	.	.	H	α-helix	trans	-63.3	-17.5	177.4	76.3	0	0	0	0	114.2	L137 Q138 V139 F143	L137-S141 VanDerWaalsContact O-CB 3.31Å; L137-S141 WeakPolarHBondContact O-CB 3.21Å; L137-S141 PolarHBondContact O-N 2.9Å; Q138-S141 PolarHBondContact O-N 3.4Å; Q138-S141 PolarHBondContact O-OG 3.25Å; V139-S141 VanDerWaalsContact C-N 3.3Å; V139-S141 PolarHBondContact O-N 3.43Å; S141-F143 VanDerWaalsContact C-N 3.26Å; S141-F143 PolarHBondContact O-N 3.04Å
142	R	95.3	Very high	95.5	Very high	99 Å²	99	42.8 Å²	42.8	37%	0.374	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-16.7	176.6	-59.9	-178.8	-64.8	-176.2	0.8	113.1	V139 L140 E233	V139-R142 WeakPolarHBondContact O-CB 3.39Å; V139-R142 PolarHBondContact O-N 3.28Å; V139-R142 PolarHBondContact O-NE 2.77Å; L140-R142 PolarHBondContact O-N 2.88Å; L140-R142 VanDerWaalsContact O-N 3.15Å; R142-E233 IonicContact CZ-OE1 3.21Å; R142-E233 VanDerWaalsContact CZ-OE1 3.23Å; R142-E233 IonicContact CZ-OE2 3.22Å; R142-E233 IonicContact NH1-OE1 2.64Å; R142-E233 PolarHBondContact NH1-OE1 3.33Å; R142-E233 IonicContact NH1-OE2 2.89Å; R142-E233 PolarHBondContact NH1-OE2 2.79Å; R142-E233 VanDerWaalsContact NH2-CD 3.28Å; R142-E233 IonicContact NH2-OE1 3.2Å; R142-E233 PolarHBondContact NH2-OE1 3.45Å; R142-E233 IonicContact NH2-OE2 3.7Å; R142-E233 PolarHBondContact NH2-OE2 3.4Å
143	F	95.8	Very high	95.5	Very high	28 Å²	28	43.1 Å²	43.1	12%	0.123	22%	0.223	C	C	.	.	S	Bend	trans	-115.7	131.5	-171.5	-59.5	-81.9	0	0	0	110.9	W121 V139 L140 S141 P145 W149 L151 T229 V231	W121-F143 HydrophobicContact CH2-CB 3.58Å; W121-F143 HydrophobicContact CH2-CG 4.34Å; W121-F143 HydrophobicContact CZ2-CB 3.69Å; V139-F143 WeakPolarHBondContact O-CD2 3.35Å; V139-F143 WeakPolarHBondContact O-CE2 3.06Å; L140-F143 PolarHBondContact O-N 3.26Å; L140-F143 VanDerWaalsContact O-N 3.12Å; S141-F143 VanDerWaalsContact C-N 3.26Å; S141-F143 PolarHBondContact O-N 3.04Å; F143-P145 WeakPolarHBondContact O-CD 3.33Å; F143-W149 HydrophobicContact CB-CD2 4.22Å; F143-W149 HydrophobicContact CB-CG 4.23Å; F143-W149 AromaticContact CD1-CD2 3.76Å; F143-W149 HydrophobicContact CD1-CD2 3.76Å; F143-W149 AromaticContact CD1-CE2 3.84Å; F143-W149 AromaticContact CD1-CE3 3.74Å; F143-W149 HydrophobicContact CD1-CE3 3.74Å; F143-W149 HydrophobicContact CD1-CG 4.46Å; F143-W149 AromaticContact CD1-CH2 3.91Å; F143-W149 HydrophobicContact CD1-CH2 3.91Å; F143-W149 AromaticContact CD1-CZ2 3.92Å; F143-W149 HydrophobicContact CD1-CZ2 3.92Å; F143-W149 AromaticContact CD1-CZ3 3.82Å; F143-W149 HydrophobicContact CD1-CZ3 3.82Å; F143-W149 HydrophobicContact CE1-CE3 4.18Å; F143-W149 HydrophobicContact CE1-CH2 4.41Å; F143-W149 HydrophobicContact CE1-CZ3 4.07Å; F143-W149 HydrophobicContact CG-CD2 4.35Å; F143-L151 HydrophobicContact CD1-CD2 4.1Å; F143-L151 HydrophobicContact CD2-CD1 3.73Å; F143-L151 HydrophobicContact CD2-CD2 4.39Å; F143-L151 HydrophobicContact CE1-CD2 3.87Å; F143-L151 HydrophobicContact CE2-CD1 3.87Å; F143-L151 HydrophobicContact CE2-CD2 4.17Å; F143-L151 HydrophobicContact CG-CD1 4.19Å; F143-L151 HydrophobicContact CG-CD2 4.35Å; F143-L151 HydrophobicContact CZ-CD1 4.45Å; F143-L151 HydrophobicContact CZ-CD2 3.9Å; F143-T229 HydrophobicContact CE1-CG2 4Å; F143-T229 HydrophobicContact CZ-CG2 4.38Å; F143-V231 HydrophobicContact CE2-CG2 4.46Å; F143-V231 HydrophobicContact CZ-CG2 4.3Å
144	S	93.8	Very high	95.6	Very high	40 Å²	40	44.8 Å²	44.8	28%	0.28	24%	0.235	S	C	.	.			trans	-69.7	119.2	-179.5	61.5	0	0	0	0	110.8	G146 K147 W149	S144-G146 PolarHBondContact O-N 2.79Å; S144-G146 VanDerWaalsContact O-N 3.17Å; S144-K147 PolarHBondContact O-N 3.06Å; S144-K147 VanDerWaalsContact O-N 3.13Å; S144-K147 VanDerWaalsContact OG-CD 3.25Å; S144-K147 WeakPolarHBondContact OG-CD 3.39Å; S144-K147 VanDerWaalsContact OG-CG 3.27Å; S144-K147 WeakPolarHBondContact OG-CG 3.34Å; S144-W149 VanDerWaalsContact O-CD1 3.31Å; S144-W149 PolarHBondContact O-NE1 2.92Å
145	P	89.1	Confident	95.7	Very high	31 Å²	31	40.2 Å²	40.2	20%	0.201	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-16.4	-172.3	27.2	-35.7	0	0	0	114	I47 L120 F143 K147 P189	I47-P145 HydrophobicContact CD1-CG 4.44Å; L120-P145 HydrophobicContact CB-CB 3.91Å; L120-P145 HydrophobicContact CD1-CB 3.95Å; L120-P145 HydrophobicContact CD1-CG 4.04Å; L120-P145 HydrophobicContact CD2-CB 4.2Å; L120-P145 HydrophobicContact CG-CB 4.24Å; F143-P145 WeakPolarHBondContact O-CD 3.33Å; P145-K147 VanDerWaalsContact C-N 3.29Å; P145-P189 WeakPolarHBondContact O-CD 3.29Å; P145-P189 WeakPolarHBondContact O-CG 3.48Å
146	G	92.3	Very high	95.7	Very high	69 Å²	69	41.8 Å²	41.8	71%	0.711	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-4.1	175.3	0	0	0	0	0	114.7	S144	S144-G146 PolarHBondContact O-N 2.79Å; S144-G146 VanDerWaalsContact O-N 3.17Å
147	K	96.8	Very high	95.6	Very high	133 Å²	133	42 Å²	42	58%	0.578	22%	0.221	S	C	*	.	S	Bend	trans	-104	161.2	174.9	-65.9	-173.9	-171.9	178	0	110.6	S144 P145 S187	S144-K147 PolarHBondContact O-N 3.06Å; S144-K147 VanDerWaalsContact O-N 3.13Å; S144-K147 VanDerWaalsContact OG-CD 3.25Å; S144-K147 WeakPolarHBondContact OG-CD 3.39Å; S144-K147 VanDerWaalsContact OG-CG 3.27Å; S144-K147 WeakPolarHBondContact OG-CG 3.34Å; P145-K147 VanDerWaalsContact C-N 3.29Å; K147-S187 WeakPolarHBondContact O-CB 3.22Å; K147-S187 PolarHBondContact O-OG 3.46Å
148	E	98.3	Very high	95.4	Very high	68 Å²	68	43 Å²	43	32%	0.318	23%	0.227	S	C	.	.			trans	-76.4	121.8	171	-63.6	179.9	178.6	0	0	110.4	S187 P189 L190 R193 P226	E148-S187 WeakPolarHBondContact CA-OG 3.35Å; E148-P189 HydrophobicContact CG-CB 4.2Å; E148-L190 HydrophobicContact CB-CB 3.99Å; E148-L190 HydrophobicContact CB-CD1 4.35Å; E148-L190 HydrophobicContact CG-CB 4.18Å; E148-R193 WeakPolarHBondContact OE1-CD 3.46Å; E148-R193 IonicContact OE1-CZ 3.83Å; E148-R193 IonicContact OE1-NE 3.28Å; E148-R193 IonicContact OE1-NH1 2.81Å; E148-R193 PolarHBondContact OE1-NH1 3.32Å; E148-R193 IonicContact OE2-CZ 3.69Å; E148-R193 VanDerWaalsContact OE2-CZ 3.22Å; E148-R193 IonicContact OE2-NH1 3.07Å; E148-R193 PolarHBondContact OE2-NH1 2.79Å; E148-R193 IonicContact OE2-NH2 3.76Å; E148-P226 HydrophobicContact CB-CG 4.34Å
149	W	98.5	Very high	95.2	Very high	59 Å²	59	44.3 Å²	44.3	22%	0.223	23%	0.233	C	C	.	.			trans	-131.1	132.9	177.7	-70.4	108.7	0	0	0	109.6	W121 F143 S144 L151 I186 S187 L190 T229	W121-W149 HydrophobicContact CH2-CB 3.69Å; W121-W149 AromaticContact CH2-CD1 3.64Å; W121-W149 AromaticContact CH2-CG 3.82Å; W121-W149 HydrophobicContact CH2-CG 3.82Å; W121-W149 HydrophobicContact CZ3-CB 3.7Å; W121-W149 HydrophobicContact CZ3-CG 4.35Å; F143-W149 HydrophobicContact CB-CD2 4.22Å; F143-W149 HydrophobicContact CB-CG 4.23Å; F143-W149 AromaticContact CD1-CD2 3.76Å; F143-W149 HydrophobicContact CD1-CD2 3.76Å; F143-W149 AromaticContact CD1-CE2 3.84Å; F143-W149 AromaticContact CD1-CE3 3.74Å; F143-W149 HydrophobicContact CD1-CE3 3.74Å; F143-W149 HydrophobicContact CD1-CG 4.46Å; F143-W149 AromaticContact CD1-CH2 3.91Å; F143-W149 HydrophobicContact CD1-CH2 3.91Å; F143-W149 AromaticContact CD1-CZ2 3.92Å; F143-W149 HydrophobicContact CD1-CZ2 3.92Å; F143-W149 AromaticContact CD1-CZ3 3.82Å; F143-W149 HydrophobicContact CD1-CZ3 3.82Å; F143-W149 HydrophobicContact CE1-CE3 4.18Å; F143-W149 HydrophobicContact CE1-CH2 4.41Å; F143-W149 HydrophobicContact CE1-CZ3 4.07Å; F143-W149 HydrophobicContact CG-CD2 4.35Å; S144-W149 VanDerWaalsContact O-CD1 3.31Å; S144-W149 PolarHBondContact O-NE1 2.92Å; W149-L151 HydrophobicContact CB-CD2 4.05Å; W149-L151 HydrophobicContact CB-CG 4.19Å; W149-L151 HydrophobicContact CE3-CD2 4.15Å; W149-I186 VanDerWaalsContact O-CA 3.25Å; W149-I186 WeakPolarHBondContact O-CA 3.4Å; W149-S187 PolarHBondContact N-OG 3.33Å; W149-S187 PolarHBondContact O-N 3.16Å; W149-L190 VanDerWaalsContact O-CD2 3.27Å; W149-L190 WeakPolarHBondContact O-CD2 3.35Å; W149-T229 HydrophobicContact CZ3-CG2 4.36Å
150	F	98.7	Very high	95	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	108.4	168.4	-179.1	-154.6	0	0	0	107.5	P178 W184 I186 L190 A216 I219 P226 L228 T229	F150-P178 HydrophobicContact CE2-CG 4Å; F150-P178 HydrophobicContact CZ-CG 3.7Å; F150-W184 HydrophobicContact CD2-CE3 4.08Å; F150-W184 HydrophobicContact CD2-CZ3 4.33Å; F150-W184 HydrophobicContact CE2-CD2 4.38Å; F150-W184 AromaticContact CE2-CE3 3.56Å; F150-W184 HydrophobicContact CE2-CE3 3.56Å; F150-W184 AromaticContact CE2-CZ3 3.81Å; F150-W184 HydrophobicContact CE2-CZ3 3.81Å; F150-I186 HydrophobicContact CD2-CG2 3.8Å; F150-I186 HydrophobicContact CE2-CG2 4.49Å; F150-L190 HydrophobicContact CB-CD2 3.78Å; F150-A216 HydrophobicContact CE1-CB 3.94Å; F150-A216 HydrophobicContact CZ-CB 4.21Å; F150-I219 HydrophobicContact CB-CG2 4.34Å; F150-I219 HydrophobicContact CD1-CB 4.45Å; F150-I219 HydrophobicContact CD1-CD1 4.26Å; F150-I219 HydrophobicContact CD1-CG2 3.85Å; F150-I219 HydrophobicContact CD2-CD1 4.04Å; F150-I219 HydrophobicContact CE1-CD1 4.17Å; F150-I219 HydrophobicContact CE1-CG2 4.38Å; F150-I219 HydrophobicContact CE2-CD1 3.94Å; F150-I219 HydrophobicContact CG-CD1 4.2Å; F150-I219 HydrophobicContact CG-CG2 4.21Å; F150-I219 HydrophobicContact CZ-CD1 3.98Å; F150-P226 HydrophobicContact CB-CG 4.45Å; F150-L228 HydrophobicContact CD1-CB 4Å; F150-L228 HydrophobicContact CD1-CD1 3.84Å; F150-L228 HydrophobicContact CD2-CD1 3.84Å; F150-L228 HydrophobicContact CE1-CB 4.04Å; F150-L228 HydrophobicContact CE1-CD1 3.8Å; F150-L228 HydrophobicContact CE2-CD1 3.79Å; F150-L228 HydrophobicContact CG-CD1 3.87Å; F150-L228 HydrophobicContact CZ-CD1 3.8Å; F150-T229 WeakPolarHBondContact O-CB 3.31Å; F150-T229 PolarHBondContact O-N 3.23Å
151	L	98.8	Very high	94.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.9	-169.3	-54.7	-174.7	0	0	0	110.3	W121 L140 F143 W149 W184 A185 T229 V231 F234	W121-L151 HydrophobicContact CE3-CD1 4.38Å; W121-L151 HydrophobicContact CH2-CD1 3.8Å; W121-L151 HydrophobicContact CZ3-CD1 3.54Å; W121-L151 HydrophobicContact CZ3-CG 4.09Å; L140-L151 HydrophobicContact CD2-CD1 3.98Å; F143-L151 HydrophobicContact CD1-CD2 4.1Å; F143-L151 HydrophobicContact CD2-CD1 3.73Å; F143-L151 HydrophobicContact CD2-CD2 4.39Å; F143-L151 HydrophobicContact CE1-CD2 3.87Å; F143-L151 HydrophobicContact CE2-CD1 3.87Å; F143-L151 HydrophobicContact CE2-CD2 4.17Å; F143-L151 HydrophobicContact CG-CD1 4.19Å; F143-L151 HydrophobicContact CG-CD2 4.35Å; F143-L151 HydrophobicContact CZ-CD1 4.45Å; F143-L151 HydrophobicContact CZ-CD2 3.9Å; W149-L151 HydrophobicContact CB-CD2 4.05Å; W149-L151 HydrophobicContact CB-CG 4.19Å; W149-L151 HydrophobicContact CE3-CD2 4.15Å; L151-W184 CarbonylContact O-C 3.42Å; L151-W184 WeakPolarHBondContact O-CA 3.49Å; L151-W184 WeakPolarHBondContact O-CB 3.2Å; L151-A185 HydrophobicContact CB-CB 4.28Å; L151-A185 PolarHBondContact N-O 2.75Å; L151-A185 PolarHBondContact O-N 3.49Å; L151-T229 HydrophobicContact CD2-CG2 4.05Å; L151-V231 HydrophobicContact CB-CG2 3.93Å; L151-V231 HydrophobicContact CD2-CG2 4.29Å; L151-V231 HydrophobicContact CG-CG2 4.5Å; L151-F234 HydrophobicContact CB-CE2 4.29Å
152	G	98.3	Very high	94.7	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	169.1	178.8	0	0	0	0	0	112.5	T229 A230 V231	G152-T229 PolarHBondContact N-O 2.89Å; G152-A230 CarbonylContact O-C 3.52Å; G152-A230 WeakPolarHBondContact O-CA 3.45Å; G152-V231 PolarHBondContact O-N 3.41Å
153	R	96.8	Very high	94.6	Very high	63 Å²	63	41.9 Å²	41.9	24%	0.238	22%	0.224	C	C	.	.			trans	-76.2	125.8	160.8	177.7	179.6	-178	123.3	3.5	108.4	P178 D179 A182 F234 E237	R153-P178 CarbonylContact O-C 3.52Å; R153-P178 WeakPolarHBondContact O-CA 3.33Å; R153-D179 HydrophobicContact CB-CB 4.07Å; R153-D179 HydrophobicContact CG-CB 4.26Å; R153-D179 PolarHBondContact O-N 2.85Å; R153-A182 HydrophobicContact CB-CB 3.83Å; R153-F234 HydrophobicContact CB-CB 4.36Å; R153-F234 WeakPolarHBondContact CB-O 3.42Å; R153-E237 IonicContact CZ-OE1 2.64Å; R153-E237 IonicContact NH1-OE1 3.59Å; R153-E237 PolarHBondContact NH1-OE1 2.9Å; R153-E237 IonicContact NH1-OE2 2.63Å; R153-E237 PolarHBondContact NH1-OE2 3.38Å; R153-E237 IonicContact NH2-OE1 3.55Å
154	S	95.9	Very high	94.5	Very high	35 Å²	35	41 Å²	41	25%	0.245	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	134.8	-178.6	-56.7	0	0	0	0	112.2
155	L	95.6	Very high	94.4	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.037	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	154.5	160.1	-60.3	179.8	0	0	0	108.8	A176 Y177 D179 V448	L155-A176 WeakPolarHBondContact O-CA 3.36Å; L155-Y177 HydrophobicContact CB-CD2 3.81Å; L155-Y177 HydrophobicContact CB-CE2 3.44Å; L155-Y177 VanDerWaalsContact CB-CE2 3.44Å; L155-Y177 HydrophobicContact CD1-CD2 4.31Å; L155-Y177 HydrophobicContact CD1-CE2 3.94Å; L155-Y177 HydrophobicContact CG-CE2 4.32Å; L155-Y177 PolarHBondContact N-O 3.25Å; L155-Y177 PolarHBondContact O-N 2.77Å; L155-Y177 VanDerWaalsContact O-N 3.12Å; L155-D179 HydrophobicContact CD1-CB 3.84Å; L155-D179 HydrophobicContact CD2-CB 4Å; L155-D179 HydrophobicContact CG-CB 3.76Å; L155-V448 HydrophobicContact CB-CG2 4.47Å; L155-V448 HydrophobicContact CD2-CG1 4.26Å
156	H	95	Very high	94.5	Very high	59 Å²	59	48.3 Å²	48.3	27%	0.273	24%	0.244	S	C	.	.			trans	-138.7	152.1	176.3	-62.8	-89	0	0	0	108.7	Y173 F175 A176	H156-Y173 HydrophobicContact CB-CD1 4.01Å; H156-Y173 HydrophobicContact CB-CE1 4.31Å; H156-Y173 PolarHBondContact CE1-O 3.1Å; H156-Y173 PolarHBondContact ND1-O 3.35Å; H156-F175 PolarHBondContact ND1-O 2.72Å; H156-F175 VanDerWaalsContact ND1-O 3.09Å; H156-A176 VanDerWaalsContact CE1-CB 3.44Å; H156-A176 WeakPolarHBondContact CE1-CB 3.36Å
157	D	93.3	Very high	94.2	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.032	22%	0.22	C	C	.	.			trans	-76.7	138.3	166	-71.8	-41	0	0	0	109.8	T161 H164 P172 Y173 Y177	D157-T161 HydrophobicContact CB-CG2 4.43Å; D157-H164 VanDerWaalsContact CG-ND1 3.27Å; D157-H164 IonicContact OD1-CE1 2.79Å; D157-H164 PolarHBondContact OD1-CE1 2.9Å; D157-H164 IonicContact OD1-ND1 3.67Å; D157-H164 PolarHBondContact OD1-ND1 3.44Å; D157-H164 VanDerWaalsContact OD1-ND1 3.13Å; D157-H164 IonicContact OD2-CE1 2.85Å; D157-H164 PolarHBondContact OD2-CE1 3.25Å; D157-H164 IonicContact OD2-CG 3.81Å; D157-H164 IonicContact OD2-ND1 3.62Å; D157-H164 PolarHBondContact OD2-ND1 2.87Å; D157-P172 HydrophobicContact CB-CB 3.76Å; D157-Y173 WeakPolarHBondContact O-CD2 3.34Å; D157-Y177 PolarHBondContact OD1-OH 3.41Å
158	D	89.4	Confident	93.9	Very high	39 Å²	39	42.7 Å²	42.7	21%	0.209	21%	0.205	C	C	.	.	S	Bend	trans	-75.8	-32.3	170.6	-76.2	-25.9	0	0	0	111.9	Y173 K449	D158-Y173 PolarHBondContact OD1-OH 3.12Å; D158-K449 WeakPolarHBondContact OD2-CD 3.27Å; D158-K449 WeakPolarHBondContact OD2-CE 3.15Å; D158-K449 IonicContact OD2-NZ 3.21Å; D158-K449 PolarHBondContact OD2-NZ 3.16Å
159	E	90.9	Very high	93.6	Very high	132 Å²	132	42.6 Å²	42.6	62%	0.617	21%	0.212	S	C	*	.	S	Bend	trans	-147.6	157.9	-170.7	-67.6	-72.4	165.8	0	0	109.2	T161	E159-T161 WeakPolarHBondContact O-CG2 3.22Å; E159-T161 PolarHBondContact O-N 2.96Å; E159-T161 VanDerWaalsContact O-N 3.15Å
160	P	91.9	Very high	93.3	Very high	44 Å²	44	49.2 Å²	49.2	29%	0.286	25%	0.245	S	C	.	.			trans	-60.9	118.5	176.5	-21.6	33.7	0	0	0	111.8	Y166 S169 P172	P160-Y166 HydrophobicContact CB-CD1 3.83Å; P160-S169 WeakPolarHBondContact CG-O 3.48Å; P160-P172 HydrophobicContact CG-CG 3.83Å
161	T	92.2	Very high	93.1	Very high	4 Å²	4	53.2 Å²	53.2	3%	0.025	27%	0.266	C	S	.	.			trans	-104.2	148.7	-174.7	76.4	0	0	0	0	112.8	D157 E159 I163 H164 H165 Y166	D157-T161 HydrophobicContact CB-CG2 4.43Å; E159-T161 WeakPolarHBondContact O-CG2 3.22Å; E159-T161 PolarHBondContact O-N 2.96Å; E159-T161 VanDerWaalsContact O-N 3.15Å; T161-I163 VanDerWaalsContact C-N 3.31Å; T161-I163 WeakPolarHBondContact OG1-CG1 3.48Å; T161-H164 PolarHBondContact O-N 3.47Å; T161-H164 WeakPolarHBondContact OG1-CB 3.46Å; T161-H164 PolarHBondContact OG1-N 2.71Å; T161-H164 PolarHBondContact OG1-ND1 2.73Å; T161-H165 PolarHBondContact O-N 2.94Å; T161-Y166 PolarHBondContact O-N 3.45Å
162	I	91.8	Very high	92.7	Very high	48 Å²	48	54 Å²	54	25%	0.246	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-31.6	174.8	-172.2	160.4	0	0	0	112.4	H164 H165 A442 D446	I162-H164 PolarHBondContact O-N 2.58Å; I162-H165 PolarHBondContact O-N 3.35Å; I162-H165 VanDerWaalsContact O-N 3.09Å; I162-A442 HydrophobicContact CG2-CB 4.31Å; I162-D446 HydrophobicContact CG2-CB 4.27Å
163	I	92.7	Very high	92.4	Very high	13 Å²	13	60 Å²	60	7%	0.067	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-22.4	-179	62	166.8	0	0	0	112	T161 I209 A442 D446 Y447	T161-I163 VanDerWaalsContact C-N 3.31Å; T161-I163 WeakPolarHBondContact OG1-CG1 3.48Å; I163-I209 HydrophobicContact CB-CG2 4.09Å; I163-I209 HydrophobicContact CG2-CG2 4.46Å; I163-A442 HydrophobicContact CG2-CB 3.8Å; I163-D446 WeakPolarHBondContact CD1-O 3.42Å; I163-D446 VanDerWaalsContact CG1-O 3.3Å; I163-D446 WeakPolarHBondContact CG1-O 3.29Å; I163-Y447 HydrophobicContact CD1-CD1 3.75Å; I163-Y447 HydrophobicContact CD1-CE1 3.89Å; I163-Y447 HydrophobicContact CD1-CG 4.41Å
164	H	94.2	Very high	92.2	Very high	9 Å²	9	60.3 Å²	60.3	4%	0.042	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	16.2	172.7	-58.1	159.3	0	0	0	113	D157 T161 I162 Y166 A167 Y177 D210 H213	D157-H164 VanDerWaalsContact CG-ND1 3.27Å; D157-H164 IonicContact OD1-CE1 2.79Å; D157-H164 PolarHBondContact OD1-CE1 2.9Å; D157-H164 IonicContact OD1-ND1 3.67Å; D157-H164 PolarHBondContact OD1-ND1 3.44Å; D157-H164 VanDerWaalsContact OD1-ND1 3.13Å; D157-H164 IonicContact OD2-CE1 2.85Å; D157-H164 PolarHBondContact OD2-CE1 3.25Å; D157-H164 IonicContact OD2-CG 3.81Å; D157-H164 IonicContact OD2-ND1 3.62Å; D157-H164 PolarHBondContact OD2-ND1 2.87Å; T161-H164 PolarHBondContact O-N 3.47Å; T161-H164 WeakPolarHBondContact OG1-CB 3.46Å; T161-H164 PolarHBondContact OG1-N 2.71Å; T161-H164 PolarHBondContact OG1-ND1 2.73Å; I162-H164 PolarHBondContact O-N 2.58Å; H164-Y166 PolarHBondContact O-N 3.41Å; H164-Y166 VanDerWaalsContact O-N 3.12Å; H164-A167 VanDerWaalsContact O-CB 3.23Å; H164-A167 WeakPolarHBondContact O-CB 3.34Å; H164-A167 PolarHBondContact O-N 3.49Å; H164-Y177 AromaticContact CE1-CZ 3.82Å; H164-D210 IonicContact CD2-OD2 3.36Å; H164-D210 IonicContact NE2-OD2 3.72Å; H164-D210 PolarHBondContact NE2-OD2 3Å; H164-D210 VanDerWaalsContact NE2-OD2 3.07Å; H164-H213 AromaticContact CD2-CG 3.56Å; H164-H213 AromaticContact CD2-ND1 3.74Å; H164-H213 AromaticContact CE1-CD2 3.97Å; H164-H213 AromaticContact CE1-CG 4Å; H164-H213 AromaticContact CG-CD2 3.76Å; H164-H213 AromaticContact CG-CE1 3.86Å; H164-H213 AromaticContact CG-CG 3.63Å; H164-H213 AromaticContact CG-ND1 3.7Å; H164-H213 AromaticContact CG-NE2 3.95Å; H164-H213 AromaticContact ND1-CD2 3.65Å; H164-H213 AromaticContact ND1-CG 3.88Å; H164-H213 WeakPolarHBondContact NE2-CB 3.49Å; H164-H213 AromaticContact NE2-CG 3.84Å
165	H	91.7	Very high	92.2	Very high	114 Å²	114	59.2 Å²	59.2	53%	0.528	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	32.2	-179.1	-59.6	174.1	0	0	0	113.6	T161 I162 A167 I209	T161-H165 PolarHBondContact O-N 2.94Å; I162-H165 PolarHBondContact O-N 3.35Å; I162-H165 VanDerWaalsContact O-N 3.09Å; H165-A167 PolarHBondContact O-N 3.03Å; H165-I209 WeakPolarHBondContact NE2-CD1 3.48Å
166	Y	90.5	Very high	92.3	Very high	112 Å²	112	59.8 Å²	59.8	44%	0.439	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	29.8	-175.2	-49	-78.6	0	0	0	113.4	P160 T161 H164 S169	P160-Y166 HydrophobicContact CB-CD1 3.83Å; T161-Y166 PolarHBondContact O-N 3.45Å; H164-Y166 PolarHBondContact O-N 3.41Å; H164-Y166 VanDerWaalsContact O-N 3.12Å; Y166-S169 VanDerWaalsContact O-CB 3.32Å; Y166-S169 WeakPolarHBondContact O-CB 3.39Å; Y166-S169 PolarHBondContact O-N 3.18Å
167	A	86.8	Confident	92.4	Very high	27 Å²	27	57 Å²	57	22%	0.223	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	140.5	168.2	0	0	0	0	0	109.6	H164 H165 S169	H164-A167 VanDerWaalsContact O-CB 3.23Å; H164-A167 WeakPolarHBondContact O-CB 3.34Å; H164-A167 PolarHBondContact O-N 3.49Å; H165-A167 PolarHBondContact O-N 3.03Å; A167-S169 PolarHBondContact O-N 3.41Å
168	F	91.4	Very high	92.6	Very high	56 Å²	56	56.8 Å²	56.8	25%	0.246	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	32.7	-178.1	-47.5	-80.4	0	0	0	114.1	E170 D171 P172 F175 L217 W220	F168-E170 PolarHBondContact O-N 3.18Å; F168-D171 CarbonylContact O-C 3.52Å; F168-D171 PolarHBondContact O-N 3.09Å; F168-P172 WeakPolarHBondContact O-CA 3.5Å; F168-P172 WeakPolarHBondContact O-CD 3.39Å; F168-F175 HydrophobicContact CD1-CB 4.09Å; F168-F175 HydrophobicContact CD2-CB 3.46Å; F168-F175 VanDerWaalsContact CD2-CB 3.46Å; F168-F175 HydrophobicContact CD2-CD1 4.03Å; F168-F175 HydrophobicContact CD2-CD2 4.47Å; F168-F175 AromaticContact CD2-CG 3.75Å; F168-F175 HydrophobicContact CD2-CG 3.75Å; F168-F175 HydrophobicContact CE1-CB 4.1Å; F168-F175 HydrophobicContact CE1-CD2 4.06Å; F168-F175 HydrophobicContact CE1-CG 4.23Å; F168-F175 HydrophobicContact CE2-CB 3.45Å; F168-F175 VanDerWaalsContact CE2-CB 3.45Å; F168-F175 AromaticContact CE2-CD1 3.46Å; F168-F175 HydrophobicContact CE2-CD1 3.46Å; F168-F175 VanDerWaalsContact CE2-CD1 3.46Å; F168-F175 AromaticContact CE2-CD2 3.6Å; F168-F175 HydrophobicContact CE2-CD2 3.6Å; F168-F175 HydrophobicContact CE2-CE1 4.06Å; F168-F175 HydrophobicContact CE2-CE2 4.19Å; F168-F175 AromaticContact CE2-CG 3.2Å; F168-F175 HydrophobicContact CE2-CG 3.2Å; F168-F175 HydrophobicContact CE2-CZ 4.4Å; F168-F175 HydrophobicContact CG-CB 3.79Å; F168-F175 HydrophobicContact CG-CG 4.45Å; F168-F175 HydrophobicContact CZ-CB 3.79Å; F168-F175 HydrophobicContact CZ-CD1 4.12Å; F168-F175 AromaticContact CZ-CD2 3.35Å; F168-F175 HydrophobicContact CZ-CD2 3.35Å; F168-F175 AromaticContact CZ-CE2 3.91Å; F168-F175 HydrophobicContact CZ-CE2 3.91Å; F168-F175 AromaticContact CZ-CG 3.48Å; F168-F175 HydrophobicContact CZ-CG 3.48Å; F168-F175 VanDerWaalsContact CZ-CG 3.48Å; F168-F175 HydrophobicContact CZ-CZ 4.49Å; F168-L217 HydrophobicContact CE2-CD2 3.62Å; F168-L217 HydrophobicContact CZ-CD2 3.76Å; F168-W220 HydrophobicContact CE1-CH2 4.11Å; F168-W220 HydrophobicContact CE1-CZ3 4.16Å; F168-W220 HydrophobicContact CZ-CE3 4.28Å; F168-W220 HydrophobicContact CZ-CH2 4.31Å; F168-W220 AromaticContact CZ-CZ3 3.92Å; F168-W220 HydrophobicContact CZ-CZ3 3.92Å
169	S	91.6	Very high	93	Very high	67 Å²	67	54.9 Å²	54.9	47%	0.469	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.9	-175.8	56.3	0	0	0	0	115.8	P160 Y166 A167	P160-S169 WeakPolarHBondContact CG-O 3.48Å; Y166-S169 VanDerWaalsContact O-CB 3.32Å; Y166-S169 WeakPolarHBondContact O-CB 3.39Å; Y166-S169 PolarHBondContact O-N 3.18Å; A167-S169 PolarHBondContact O-N 3.41Å
170	E	92.4	Very high	93.2	Very high	197 Å²	197	49 Å²	49	92%	0.921	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-29.9	175.2	-63.1	-175	168.6	0	0	112.9	F168	F168-E170 PolarHBondContact O-N 3.18Å
171	D	93.5	Very high	93.2	Very high	85 Å²	85	47.1 Å²	47.1	46%	0.455	24%	0.239	S	C	.	.			trans	-154.1	82.1	178.3	-177.9	6.4	0	0	0	109.7	F168 Y173 S174	F168-D171 CarbonylContact O-C 3.52Å; F168-D171 PolarHBondContact O-N 3.09Å; D171-Y173 PolarHBondContact O-N 2.92Å; D171-Y173 PolarHBondContact OD1-N 3.49Å; D171-S174 VanDerWaalsContact O-CB 3.24Å; D171-S174 WeakPolarHBondContact O-CB 3.46Å; D171-S174 PolarHBondContact O-N 3.05Å; D171-S174 PolarHBondContact O-OG 2.62Å; D171-S174 PolarHBondContact OD1-N 2.86Å; D171-S174 WeakPolarHBondContact OD2-CB 3.49Å
172	P	90.7	Very high	93.4	Very high	16 Å²	16	46.9 Å²	46.9	10%	0.104	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-59.7	-28.2	-177.6	-25.8	35.1	0	0	0	113.2	D157 P160 F168 S174	D157-P172 HydrophobicContact CB-CB 3.76Å; P160-P172 HydrophobicContact CG-CG 3.83Å; F168-P172 WeakPolarHBondContact O-CA 3.5Å; F168-P172 WeakPolarHBondContact O-CD 3.39Å; P172-S174 PolarHBondContact O-N 3.04Å
173	Y	92.7	Very high	93.6	Very high	126 Å²	126	44.6 Å²	44.6	49%	0.494	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-70.2	-18.9	177	-87	-90.5	0	0	0	113.4	H156 D157 D158 D171 F175	H156-Y173 HydrophobicContact CB-CD1 4.01Å; H156-Y173 HydrophobicContact CB-CE1 4.31Å; H156-Y173 PolarHBondContact CE1-O 3.1Å; H156-Y173 PolarHBondContact ND1-O 3.35Å; D157-Y173 WeakPolarHBondContact O-CD2 3.34Å; D158-Y173 PolarHBondContact OD1-OH 3.12Å; D171-Y173 PolarHBondContact O-N 2.92Å; D171-Y173 PolarHBondContact OD1-N 3.49Å; Y173-F175 PolarHBondContact O-N 3.37Å
174	S	93	Very high	93.9	Very high	70 Å²	70	44.1 Å²	44.1	49%	0.49	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-64.4	-19.6	-178.8	67.6	0	0	0	0	114.1	D171 P172	D171-S174 VanDerWaalsContact O-CB 3.24Å; D171-S174 WeakPolarHBondContact O-CB 3.46Å; D171-S174 PolarHBondContact O-N 3.05Å; D171-S174 PolarHBondContact O-OG 2.62Å; D171-S174 PolarHBondContact OD1-N 2.86Å; D171-S174 WeakPolarHBondContact OD2-CB 3.49Å; P172-S174 PolarHBondContact O-N 3.04Å
175	F	95.9	Very high	94.1	Very high	12 Å²	12	43.7 Å²	43.7	5%	0.053	22%	0.222	C	C	.	.			trans	-116.3	129.3	-177	-168	-108.6	0	0	0	111.7	H156 F168 Y173 Y177 H213 A216 L217 W220	H156-F175 PolarHBondContact ND1-O 2.72Å; H156-F175 VanDerWaalsContact ND1-O 3.09Å; F168-F175 HydrophobicContact CD1-CB 4.09Å; F168-F175 HydrophobicContact CD2-CB 3.46Å; F168-F175 VanDerWaalsContact CD2-CB 3.46Å; F168-F175 HydrophobicContact CD2-CD1 4.03Å; F168-F175 HydrophobicContact CD2-CD2 4.47Å; F168-F175 AromaticContact CD2-CG 3.75Å; F168-F175 HydrophobicContact CD2-CG 3.75Å; F168-F175 HydrophobicContact CE1-CB 4.1Å; F168-F175 HydrophobicContact CE1-CD2 4.06Å; F168-F175 HydrophobicContact CE1-CG 4.23Å; F168-F175 HydrophobicContact CE2-CB 3.45Å; F168-F175 VanDerWaalsContact CE2-CB 3.45Å; F168-F175 AromaticContact CE2-CD1 3.46Å; F168-F175 HydrophobicContact CE2-CD1 3.46Å; F168-F175 VanDerWaalsContact CE2-CD1 3.46Å; F168-F175 AromaticContact CE2-CD2 3.6Å; F168-F175 HydrophobicContact CE2-CD2 3.6Å; F168-F175 HydrophobicContact CE2-CE1 4.06Å; F168-F175 HydrophobicContact CE2-CE2 4.19Å; F168-F175 AromaticContact CE2-CG 3.2Å; F168-F175 HydrophobicContact CE2-CG 3.2Å; F168-F175 HydrophobicContact CE2-CZ 4.4Å; F168-F175 HydrophobicContact CG-CB 3.79Å; F168-F175 HydrophobicContact CG-CG 4.45Å; F168-F175 HydrophobicContact CZ-CB 3.79Å; F168-F175 HydrophobicContact CZ-CD1 4.12Å; F168-F175 AromaticContact CZ-CD2 3.35Å; F168-F175 HydrophobicContact CZ-CD2 3.35Å; F168-F175 AromaticContact CZ-CE2 3.91Å; F168-F175 HydrophobicContact CZ-CE2 3.91Å; F168-F175 AromaticContact CZ-CG 3.48Å; F168-F175 HydrophobicContact CZ-CG 3.48Å; F168-F175 VanDerWaalsContact CZ-CG 3.48Å; F168-F175 HydrophobicContact CZ-CZ 4.49Å; Y173-F175 PolarHBondContact O-N 3.37Å; F175-Y177 HydrophobicContact CD1-CD1 4.32Å; F175-H213 AromaticContact CD1-CD2 3.84Å; F175-H213 AromaticContact CD1-NE2 3.7Å; F175-H213 AromaticContact CE1-CD2 3.88Å; F175-H213 AromaticContact CE1-NE2 3.88Å; F175-A216 HydrophobicContact CE1-CB 3.82Å; F175-A216 HydrophobicContact CZ-CB 3.74Å; F175-L217 HydrophobicContact CE1-CD2 4.04Å; F175-L217 HydrophobicContact CE1-CG 3.99Å; F175-L217 HydrophobicContact CE2-CD2 4.28Å; F175-L217 HydrophobicContact CZ-CB 4.49Å; F175-L217 HydrophobicContact CZ-CD2 3.83Å; F175-L217 HydrophobicContact CZ-CG 4.03Å; F175-W220 HydrophobicContact CE2-CB 4.03Å; F175-W220 HydrophobicContact CE2-CD2 4.05Å; F175-W220 HydrophobicContact CE2-CE3 4.26Å; F175-W220 AromaticContact CE2-CG 3.95Å; F175-W220 HydrophobicContact CE2-CG 3.95Å; F175-W220 HydrophobicContact CZ-CB 4.43Å
176	A	96.8	Very high	94.5	Very high	20 Å²	20	38.4 Å²	38.4	17%	0.165	20%	0.197	C	C	.	.			trans	-110.7	135.8	178.9	0	0	0	0	0	110.8	L155 H156 L228	L155-A176 WeakPolarHBondContact O-CA 3.36Å; H156-A176 VanDerWaalsContact CE1-CB 3.44Å; H156-A176 WeakPolarHBondContact CE1-CB 3.36Å; A176-L228 HydrophobicContact CB-CB 4.3Å; A176-L228 HydrophobicContact CB-CD2 4.29Å
177	Y	97.7	Very high	94.9	Very high	1 Å²	1	33 Å²	33	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	154.3	173.2	51.1	-89.2	0	0	0	110.6	L155 D157 H164 F175 Q212 H213 L228 V448	L155-Y177 HydrophobicContact CB-CD2 3.81Å; L155-Y177 HydrophobicContact CB-CE2 3.44Å; L155-Y177 VanDerWaalsContact CB-CE2 3.44Å; L155-Y177 HydrophobicContact CD1-CD2 4.31Å; L155-Y177 HydrophobicContact CD1-CE2 3.94Å; L155-Y177 HydrophobicContact CG-CE2 4.32Å; L155-Y177 PolarHBondContact N-O 3.25Å; L155-Y177 PolarHBondContact O-N 2.77Å; L155-Y177 VanDerWaalsContact O-N 3.12Å; D157-Y177 PolarHBondContact OD1-OH 3.41Å; H164-Y177 AromaticContact CE1-CZ 3.82Å; F175-Y177 HydrophobicContact CD1-CD1 4.32Å; Y177-Q212 HydrophobicContact CD2-CB 4.32Å; Y177-Q212 HydrophobicContact CD2-CG 3.83Å; Y177-Q212 HydrophobicContact CE2-CG 4.21Å; Y177-Q212 VanDerWaalsContact CE2-NE2 3.26Å; Y177-H213 HydrophobicContact CD1-CB 4.34Å; Y177-H213 AromaticContact CD1-CD2 3.63Å; Y177-H213 AromaticContact CE1-CD2 3.91Å; Y177-H213 HydrophobicContact CG-CB 4.25Å; Y177-L228 VanDerWaalsContact C-CD2 3.47Å; Y177-V448 HydrophobicContact CE2-CG2 4.19Å; Y177-V448 WeakPolarHBondContact OH-CG2 3.41Å
178	P	97.7	Very high	95.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	139.3	-170.6	30.1	-37.1	0	0	0	112.2	F150 R153 F180 W184 Q212 L228	F150-P178 HydrophobicContact CE2-CG 4Å; F150-P178 HydrophobicContact CZ-CG 3.7Å; R153-P178 CarbonylContact O-C 3.52Å; R153-P178 WeakPolarHBondContact O-CA 3.33Å; P178-F180 HydrophobicContact CB-CD1 4.5Å; P178-F180 HydrophobicContact CG-CD1 4.04Å; P178-F180 HydrophobicContact CG-CE1 3.77Å; P178-F180 PolarHBondContact O-N 3.14Å; P178-F180 VanDerWaalsContact O-N 3.15Å; P178-W184 HydrophobicContact CB-CB 3.92Å; P178-W184 HydrophobicContact CB-CG 4.26Å; P178-W184 HydrophobicContact CG-CG 4.39Å; P178-Q212 WeakPolarHBondContact O-CB 3.38Å; P178-L228 HydrophobicContact CB-CD1 4.04Å; P178-L228 HydrophobicContact CB-CD2 4.23Å
179	D	96.1	Very high	95.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.			trans	-68.1	104.7	162.9	-175.9	-13.7	0	0	0	109.2	R153 L155 M181 A182 G183 S236 R454	R153-D179 HydrophobicContact CB-CB 4.07Å; R153-D179 HydrophobicContact CG-CB 4.26Å; R153-D179 PolarHBondContact O-N 2.85Å; L155-D179 HydrophobicContact CD1-CB 3.84Å; L155-D179 HydrophobicContact CD2-CB 4Å; L155-D179 HydrophobicContact CG-CB 3.76Å; D179-M181 PolarHBondContact O-N 2.57Å; D179-M181 WeakPolarHBondContact OD1-CB 3.44Å; D179-M181 WeakPolarHBondContact OD1-CG 3.26Å; D179-M181 PolarHBondContact OD1-N 3.15Å; D179-A182 HydrophobicContact CB-CB 4.07Å; D179-A182 WeakPolarHBondContact O-CB 3.45Å; D179-A182 PolarHBondContact O-N 3.47Å; D179-A182 VanDerWaalsContact O-N 3.17Å; D179-G183 PolarHBondContact O-N 2.96Å; D179-S236 WeakPolarHBondContact OD2-CB 3.5Å; D179-S236 PolarHBondContact OD2-OG 3.29Å; D179-R454 IonicContact OD2-NH1 2.76Å; D179-R454 PolarHBondContact OD2-NH1 3.12Å
180	F	95.6	Very high	96.1	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.035	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-63.1	-25.4	180	-87.2	26.6	0	0	0	113.3	I104 Q126 P178 A182 G183 W184 L211 Q212 I215	I104-F180 HydrophobicContact CD1-CE2 4.06Å; I104-F180 HydrophobicContact CD1-CZ 4.24Å; Q126-F180 HydrophobicContact CG-CB 4.49Å; P178-F180 HydrophobicContact CB-CD1 4.5Å; P178-F180 HydrophobicContact CG-CD1 4.04Å; P178-F180 HydrophobicContact CG-CE1 3.77Å; P178-F180 PolarHBondContact O-N 3.14Å; P178-F180 VanDerWaalsContact O-N 3.15Å; F180-A182 VanDerWaalsContact C-N 3.28Å; F180-A182 PolarHBondContact O-N 3.46Å; F180-G183 PolarHBondContact O-N 2.91Å; F180-G183 VanDerWaalsContact O-N 3.09Å; F180-W184 AromaticContact CD1-CD1 3.55Å; F180-W184 HydrophobicContact CD1-CG 4.49Å; F180-W184 AromaticContact CD1-NE1 3.41Å; F180-W184 AromaticContact CE1-CD1 3.75Å; F180-W184 AromaticContact CE1-CE2 3.74Å; F180-W184 HydrophobicContact CE1-CG 4.49Å; F180-W184 HydrophobicContact CE1-CZ2 4.18Å; F180-W184 AromaticContact CE1-NE1 3.21Å; F180-W184 AromaticContact CG-NE1 3.94Å; F180-W184 HydrophobicContact CZ-CZ2 4.06Å; F180-W184 AromaticContact CZ-NE1 3.6Å; F180-L211 HydrophobicContact CE2-CB 4.36Å; F180-L211 HydrophobicContact CE2-CD2 3.76Å; F180-L211 HydrophobicContact CE2-CG 3.78Å; F180-L211 HydrophobicContact CZ-CD2 4.47Å; F180-L211 HydrophobicContact CZ-CG 4.07Å; F180-Q212 HydrophobicContact CD1-CB 3.7Å; F180-Q212 HydrophobicContact CE1-CB 3.65Å; F180-Q212 HydrophobicContact CG-CB 4.23Å; F180-Q212 HydrophobicContact CZ-CB 4.1Å; F180-I215 HydrophobicContact CZ-CD1 3.87Å
181	M	92.7	Very high	96.4	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.02	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-67.8	-35.2	178.4	-48.3	-178	113.8	0	0	111	T129 D179 G183 V251 Y254 L451 Q455	T129-M181 WeakPolarHBondContact CG2-O 3.48Å; T129-M181 PolarHBondContact OG1-O 2.89Å; D179-M181 PolarHBondContact O-N 2.57Å; D179-M181 WeakPolarHBondContact OD1-CB 3.44Å; D179-M181 WeakPolarHBondContact OD1-CG 3.26Å; D179-M181 PolarHBondContact OD1-N 3.15Å; M181-G183 PolarHBondContact O-N 3.23Å; M181-V251 HydrophobicContact CB-CG1 4.09Å; M181-V251 WeakPolarHBondContact O-CG1 3.46Å; M181-Y254 HydrophobicContact CE-CD1 3.55Å; M181-Y254 HydrophobicContact CE-CE1 2.93Å; M181-Y254 HydrophobicContact CE-CE2 4.15Å; M181-Y254 HydrophobicContact CE-CG 4.38Å; M181-Y254 WeakPolarHBondContact CE-OH 3.46Å; M181-Y254 HydrophobicContact SD-CE1 3.96Å; M181-Y254 PolarHBondContact SD-OH 2.87Å; M181-L451 HydrophobicContact CG-CD1 4.14Å; M181-L451 HydrophobicContact SD-CD1 3.53Å; M181-L451 VanDerWaalsContact SD-CD1 3.53Å; M181-Q455 HydrophobicContact CE-CG 3.67Å; M181-Q455 HydrophobicContact SD-CG 4.48Å
182	A	95.5	Very high	96.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-74.7	-8.1	174.8	0	0	0	0	0	113	R153 D179 F180 F234 C235 T249	R153-A182 HydrophobicContact CB-CB 3.83Å; D179-A182 HydrophobicContact CB-CB 4.07Å; D179-A182 WeakPolarHBondContact O-CB 3.45Å; D179-A182 PolarHBondContact O-N 3.47Å; D179-A182 VanDerWaalsContact O-N 3.17Å; F180-A182 VanDerWaalsContact C-N 3.28Å; F180-A182 PolarHBondContact O-N 3.46Å; A182-F234 HydrophobicContact CB-CB 4.23Å; A182-C235 WeakPolarHBondContact CA-O 3.49Å; A182-T249 WeakPolarHBondContact O-CB 3.47Å; A182-T249 WeakPolarHBondContact O-CG2 3.35Å; A182-T249 PolarHBondContact O-OG1 3.09Å
183	G	97.4	Very high	96.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.			trans	69.1	161.8	-169.6	0	0	0	0	0	112.4	F124 D179 F180 M181 F234	F124-G183 VanDerWaalsContact O-CA 3.29Å; F124-G183 WeakPolarHBondContact O-CA 3.35Å; D179-G183 PolarHBondContact O-N 2.96Å; F180-G183 PolarHBondContact O-N 2.91Å; F180-G183 VanDerWaalsContact O-N 3.09Å; M181-G183 PolarHBondContact O-N 3.23Å; G183-F234 WeakPolarHBondContact O-CD2 3.24Å
184	W	98.6	Very high	97.2	Very high	3 Å²	3	14.9 Å²	14.9	1%	0.011	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	158.2	-178.4	61.1	-82.4	0	0	0	110.7	I104 F124 F150 L151 P178 F180 I186 I215 I219	I104-W184 HydrophobicContact CD1-CZ2 3.64Å; I104-W184 HydrophobicContact CG2-CH2 4.37Å; I104-W184 HydrophobicContact CG2-CZ2 4.4Å; F124-W184 HydrophobicContact CB-CD2 4Å; F124-W184 HydrophobicContact CB-CG 4.21Å; F124-W184 HydrophobicContact CB-CZ2 4.05Å; F124-W184 HydrophobicContact CD1-CZ2 4.25Å; F124-W184 AromaticContact CD2-CD2 3.77Å; F124-W184 HydrophobicContact CD2-CD2 3.77Å; F124-W184 AromaticContact CD2-CE2 3.66Å; F124-W184 AromaticContact CD2-CE3 3.72Å; F124-W184 HydrophobicContact CD2-CE3 3.72Å; F124-W184 AromaticContact CD2-CH2 3.53Å; F124-W184 HydrophobicContact CD2-CH2 3.53Å; F124-W184 AromaticContact CD2-CZ2 3.56Å; F124-W184 HydrophobicContact CD2-CZ2 3.56Å; F124-W184 AromaticContact CD2-CZ3 3.63Å; F124-W184 HydrophobicContact CD2-CZ3 3.63Å; F124-W184 HydrophobicContact CE2-CE3 4.25Å; F124-W184 AromaticContact CE2-CH2 3.56Å; F124-W184 HydrophobicContact CE2-CH2 3.56Å; F124-W184 AromaticContact CE2-CZ2 4Å; F124-W184 HydrophobicContact CE2-CZ2 4Å; F124-W184 AromaticContact CE2-CZ3 3.71Å; F124-W184 HydrophobicContact CE2-CZ3 3.71Å; F124-W184 HydrophobicContact CG-CD2 4.19Å; F124-W184 AromaticContact CG-CE2 3.71Å; F124-W184 HydrophobicContact CG-CH2 4.13Å; F124-W184 AromaticContact CG-CZ2 3.69Å; F124-W184 HydrophobicContact CG-CZ2 3.69Å; F124-W184 HydrophobicContact CZ-CH2 4.18Å; F124-W184 PolarHBondContact N-O 3.05Å; F124-W184 PolarHBondContact O-N 3.42Å; F124-W184 VanDerWaalsContact O-N 3.12Å; F150-W184 HydrophobicContact CD2-CE3 4.08Å; F150-W184 HydrophobicContact CD2-CZ3 4.33Å; F150-W184 HydrophobicContact CE2-CD2 4.38Å; F150-W184 AromaticContact CE2-CE3 3.56Å; F150-W184 HydrophobicContact CE2-CE3 3.56Å; F150-W184 AromaticContact CE2-CZ3 3.81Å; F150-W184 HydrophobicContact CE2-CZ3 3.81Å; L151-W184 CarbonylContact O-C 3.42Å; L151-W184 WeakPolarHBondContact O-CA 3.49Å; L151-W184 WeakPolarHBondContact O-CB 3.2Å; P178-W184 HydrophobicContact CB-CB 3.92Å; P178-W184 HydrophobicContact CB-CG 4.26Å; P178-W184 HydrophobicContact CG-CG 4.39Å; F180-W184 AromaticContact CD1-CD1 3.55Å; F180-W184 HydrophobicContact CD1-CG 4.49Å; F180-W184 AromaticContact CD1-NE1 3.41Å; F180-W184 AromaticContact CE1-CD1 3.75Å; F180-W184 AromaticContact CE1-CE2 3.74Å; F180-W184 HydrophobicContact CE1-CG 4.49Å; F180-W184 HydrophobicContact CE1-CZ2 4.18Å; F180-W184 AromaticContact CE1-NE1 3.21Å; F180-W184 AromaticContact CG-NE1 3.94Å; F180-W184 HydrophobicContact CZ-CZ2 4.06Å; F180-W184 AromaticContact CZ-NE1 3.6Å; W184-I186 HydrophobicContact CE3-CG2 3.99Å; W184-I186 HydrophobicContact CZ3-CG2 3.6Å; W184-I215 HydrophobicContact CH2-CD1 4.05Å; W184-I215 HydrophobicContact CH2-CG2 3.73Å; W184-I215 HydrophobicContact CZ2-CD1 3.83Å; W184-I215 HydrophobicContact CZ2-CG2 4.25Å; W184-I215 HydrophobicContact CZ3-CG2 4.24Å; W184-I219 HydrophobicContact CZ3-CD1 4.45Å
185	A	98.7	Very high	97.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	149.6	-177.1	0	0	0	0	0	112.2	W121 I122 M123 L140 L151 F234	W121-A185 HydrophobicContact CE3-CB 4.45Å; I122-A185 CarbonylContact O-C 3.58Å; I122-A185 WeakPolarHBondContact O-CA 2.89Å; M123-A185 HydrophobicContact SD-CB 3.82Å; L140-A185 HydrophobicContact CD2-CB 4.39Å; L151-A185 HydrophobicContact CB-CB 4.28Å; L151-A185 PolarHBondContact N-O 2.75Å; L151-A185 PolarHBondContact O-N 3.49Å; A185-F234 HydrophobicContact CB-CE2 4.31Å; A185-F234 HydrophobicContact CB-CZ 4.38Å
186	I	98.8	Very high	97.5	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146	166.5	60.1	-177.7	0	0	0	110.2	L108 I122 F124 W149 F150 W184 L190 A191 I219	L108-I186 HydrophobicContact CD1-CD1 4.04Å; I122-I186 HydrophobicContact CB-CG1 4.09Å; I122-I186 PolarHBondContact N-O 3.28Å; I122-I186 PolarHBondContact O-N 3.22Å; F124-I186 HydrophobicContact CE2-CD1 3.88Å; F124-I186 HydrophobicContact CE2-CG1 3.97Å; F124-I186 HydrophobicContact CZ-CD1 4.38Å; W149-I186 VanDerWaalsContact O-CA 3.25Å; W149-I186 WeakPolarHBondContact O-CA 3.4Å; F150-I186 HydrophobicContact CD2-CG2 3.8Å; F150-I186 HydrophobicContact CE2-CG2 4.49Å; W184-I186 HydrophobicContact CE3-CG2 3.99Å; W184-I186 HydrophobicContact CZ3-CG2 3.6Å; I186-L190 HydrophobicContact CB-CD2 4.12Å; I186-L190 HydrophobicContact CG2-CD2 3.86Å; I186-A191 HydrophobicContact CD1-CB 3.65Å; I186-A191 HydrophobicContact CG1-CB 4.12Å; I186-I219 HydrophobicContact CG2-CD1 4.32Å
187	S	98.6	Very high	97.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	152.1	169.9	69.4	0	0	0	0	110.5	K147 E148 W149 L190 A191	K147-S187 WeakPolarHBondContact O-CB 3.22Å; K147-S187 PolarHBondContact O-OG 3.46Å; E148-S187 WeakPolarHBondContact CA-OG 3.35Å; W149-S187 PolarHBondContact N-OG 3.33Å; W149-S187 PolarHBondContact O-N 3.16Å; S187-L190 WeakPolarHBondContact O-CB 3.2Å; S187-L190 PolarHBondContact O-N 2.64Å; S187-A191 PolarHBondContact O-N 2.05Å
188	C	98.4	Very high	97.4	Very high	6 Å²	6	17.4 Å²	17.4	4%	0.041	8%	0.083	C	C	.	.	H	α-helix	trans	-61.6	-32.3	-179.8	-89.9	0	0	0	0	115.5	C116 S119 L120 L190 A191 K192	C116-C188 WeakPolarHBondContact CA-SG 3.27Å; C116-C188 HydrophobicContact CB-CB 3.48Å; C116-C188 VanDerWaalsContact CB-CB 3.48Å; C116-C188 WeakPolarHBondContact CB-SG 3.36Å; C116-C188 WeakPolarHBondContact SG-CA 3.29Å; C116-C188 WeakPolarHBondContact SG-CB 3.3Å; C116-C188 CovalentContact SG-SG 2.05Å; C116-C188 PolarHBondContact SG-SG 3.06Å; S119-C188 PolarHBondContact O-SG 3.41Å; L120-C188 WeakPolarHBondContact O-CB 3.49Å; L120-C188 PolarHBondContact O-N 3.14Å; C188-L190 VanDerWaalsContact C-N 3.35Å; C188-A191 PolarHBondContact O-N 3.27Å; C188-K192 WeakPolarHBondContact O-CB 3.37Å; C188-K192 WeakPolarHBondContact O-CG 3.48Å; C188-K192 PolarHBondContact O-N 2.97Å
189	P	98.5	Very high	97.2	Very high	43 Å²	43	23 Å²	23	28%	0.279	11%	0.113	S	C	.	.	H	α-helix	trans	-56.3	-46.3	167.3	-28	36.6	0	0	0	112.9	P145 E148 K192 R193	P145-P189 WeakPolarHBondContact O-CD 3.29Å; P145-P189 WeakPolarHBondContact O-CG 3.48Å; E148-P189 HydrophobicContact CG-CB 4.2Å; P189-K192 PolarHBondContact O-N 3.21Å; P189-R193 PolarHBondContact O-N 2.75Å; P189-R193 VanDerWaalsContact O-N 3.09Å
190	L	98.6	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.9	-44.9	177.7	-179.4	58.3	0	0	0	111.1	E148 W149 F150 I186 S187 C188 K192 R193 T194 I219 P226	E148-L190 HydrophobicContact CB-CB 3.99Å; E148-L190 HydrophobicContact CB-CD1 4.35Å; E148-L190 HydrophobicContact CG-CB 4.18Å; W149-L190 VanDerWaalsContact O-CD2 3.27Å; W149-L190 WeakPolarHBondContact O-CD2 3.35Å; F150-L190 HydrophobicContact CB-CD2 3.78Å; I186-L190 HydrophobicContact CB-CD2 4.12Å; I186-L190 HydrophobicContact CG2-CD2 3.86Å; S187-L190 WeakPolarHBondContact O-CB 3.2Å; S187-L190 PolarHBondContact O-N 2.64Å; C188-L190 VanDerWaalsContact C-N 3.35Å; L190-K192 VanDerWaalsContact C-N 3.29Å; L190-K192 PolarHBondContact O-N 2.81Å; L190-R193 PolarHBondContact O-N 2.9Å; L190-T194 WeakPolarHBondContact O-CB 3.43Å; L190-T194 PolarHBondContact O-N 2.03Å; L190-T194 PolarHBondContact O-OG1 2.97Å; L190-T194 VanDerWaalsContact O-OG1 3.1Å; L190-I219 HydrophobicContact CD1-CG2 4.22Å; L190-I219 HydrophobicContact CD2-CG2 4.04Å; L190-P226 HydrophobicContact CD1-CG 3.83Å; L190-P226 HydrophobicContact CD2-CG 3.82Å; L190-P226 HydrophobicContact CG-CG 4.46Å
191	A	98.5	Very high	97	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-56.5	-43	177.6	0	0	0	0	0	112.3	L108 A112 I122 I186 S187 C188 A195	L108-A191 HydrophobicContact CD1-CB 4.38Å; A112-A191 HydrophobicContact CB-CB 4.4Å; I122-A191 HydrophobicContact CD1-CB 3.74Å; I186-A191 HydrophobicContact CD1-CB 3.65Å; I186-A191 HydrophobicContact CG1-CB 4.12Å; S187-A191 PolarHBondContact O-N 2.05Å; C188-A191 PolarHBondContact O-N 3.27Å; A191-A195 WeakPolarHBondContact O-CB 3.25Å; A191-A195 PolarHBondContact O-N 3.17Å
192	K	98.4	Very high	97	Very high	91 Å²	91	34 Å²	34	40%	0.396	16%	0.162	S	C	.	.	H	α-helix	trans	-64.5	-48.5	176.8	-75.7	173.9	179.7	166.9	0	112.1	A112 C116 C188 P189 L190 T194 A195 E196	A112-K192 HydrophobicContact CB-CG 4.42Å; C116-K192 HydrophobicContact CB-CD 4.46Å; C116-K192 HydrophobicContact CB-CG 4.3Å; C116-K192 VanDerWaalsContact O-CE 3.26Å; C116-K192 WeakPolarHBondContact O-CE 3.49Å; C116-K192 PolarHBondContact O-NZ 2.81Å; C188-K192 WeakPolarHBondContact O-CB 3.37Å; C188-K192 WeakPolarHBondContact O-CG 3.48Å; C188-K192 PolarHBondContact O-N 2.97Å; P189-K192 PolarHBondContact O-N 3.21Å; L190-K192 VanDerWaalsContact C-N 3.29Å; L190-K192 PolarHBondContact O-N 2.81Å; K192-T194 PolarHBondContact O-N 3.4Å; K192-A195 WeakPolarHBondContact O-CB 3.48Å; K192-A195 PolarHBondContact O-N 2.61Å; K192-E196 WeakPolarHBondContact O-CG 3.42Å; K192-E196 PolarHBondContact O-N 2.96Å
193	R	97.6	Very high	96.8	Very high	49 Å²	49	35.7 Å²	35.7	19%	0.185	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-48.3	178.1	-170.9	-169.4	73.8	-168.9	-0.7	111.5	E148 P189 L190 E196 R197 I219	E148-R193 WeakPolarHBondContact OE1-CD 3.46Å; E148-R193 IonicContact OE1-CZ 3.83Å; E148-R193 IonicContact OE1-NE 3.28Å; E148-R193 IonicContact OE1-NH1 2.81Å; E148-R193 PolarHBondContact OE1-NH1 3.32Å; E148-R193 IonicContact OE2-CZ 3.69Å; E148-R193 VanDerWaalsContact OE2-CZ 3.22Å; E148-R193 IonicContact OE2-NH1 3.07Å; E148-R193 PolarHBondContact OE2-NH1 2.79Å; E148-R193 IonicContact OE2-NH2 3.76Å; P189-R193 PolarHBondContact O-N 2.75Å; P189-R193 VanDerWaalsContact O-N 3.09Å; L190-R193 PolarHBondContact O-N 2.9Å; R193-E196 PolarHBondContact O-N 3.04Å; R193-R197 PolarHBondContact O-N 3.22Å; R193-I219 PolarHBondContact NH2-O 3.13Å
194	T	98.1	Very high	96.3	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-65.8	-40	179.9	-56	0	0	0	0	111.1	L105 L108 L190 K192 R197 V198 Y218 I219	L105-T194 HydrophobicContact CD2-CG2 4.42Å; L108-T194 HydrophobicContact CD2-CG2 3.49Å; L108-T194 VanDerWaalsContact CD2-CG2 3.49Å; L190-T194 WeakPolarHBondContact O-CB 3.43Å; L190-T194 PolarHBondContact O-N 2.03Å; L190-T194 PolarHBondContact O-OG1 2.97Å; L190-T194 VanDerWaalsContact O-OG1 3.1Å; K192-T194 PolarHBondContact O-N 3.4Å; T194-R197 PolarHBondContact O-N 2.99Å; T194-V198 WeakPolarHBondContact O-CG2 3.01Å; T194-V198 PolarHBondContact O-N 2.8Å; T194-Y218 HydrophobicContact CG2-CD1 3.72Å; T194-Y218 HydrophobicContact CG2-CE1 3.74Å; T194-I219 HydrophobicContact CG2-CG1 4.3Å
195	A	97.6	Very high	95.9	Very high	5 Å²	5	45.8 Å²	45.8	4%	0.041	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-45.5	173.6	0	0	0	0	0	113.1	L108 P109 A112 A191 K192 R197 V198 N199	L108-A195 HydrophobicContact CG-CB 4.27Å; P109-A195 HydrophobicContact CG-CB 4.49Å; A112-A195 HydrophobicContact CB-CB 3.69Å; A191-A195 WeakPolarHBondContact O-CB 3.25Å; A191-A195 PolarHBondContact O-N 3.17Å; K192-A195 WeakPolarHBondContact O-CB 3.48Å; K192-A195 PolarHBondContact O-N 2.61Å; A195-R197 VanDerWaalsContact C-N 3.3Å; A195-R197 PolarHBondContact O-N 2.81Å; A195-V198 PolarHBondContact O-N 3.16Å; A195-N199 PolarHBondContact O-N 3.22Å; A195-N199 PolarHBondContact O-ND2 3.46Å
196	E	97	Very high	95.7	Very high	118 Å²	118	49.1 Å²	49.1	55%	0.551	24%	0.242	S	C	*	.	H	α-helix	trans	-58.1	-48.4	174.8	-73.1	173.4	-179.6	0	0	109.5	K192 R193 V198 N199 Y200	K192-E196 WeakPolarHBondContact O-CG 3.42Å; K192-E196 PolarHBondContact O-N 2.96Å; R193-E196 PolarHBondContact O-N 3.04Å; E196-V198 PolarHBondContact O-N 3.29Å; E196-N199 WeakPolarHBondContact O-CB 2.96Å; E196-N199 PolarHBondContact O-N 2.66Å; E196-Y200 VanDerWaalsContact C-CD1 3.41Å; E196-Y200 HydrophobicContact CB-CD1 4.48Å; E196-Y200 HydrophobicContact CB-CE1 3.91Å; E196-Y200 WeakPolarHBondContact O-CD1 3.35Å; E196-Y200 WeakPolarHBondContact O-CE1 3.35Å; E196-Y200 PolarHBondContact O-N 3.01Å
197	R	96.5	Very high	95.5	Very high	19 Å²	19	52.5 Å²	52.5	7%	0.072	26%	0.257	C	S	.	.	H	α-helix	trans	-58	-42.9	178	-162.3	-176.2	170.9	-148.1	-2.4	113.3	R193 T194 A195 N199 Y200 E201 Y218 E221	R193-R197 PolarHBondContact O-N 3.22Å; T194-R197 PolarHBondContact O-N 2.99Å; A195-R197 VanDerWaalsContact C-N 3.3Å; A195-R197 PolarHBondContact O-N 2.81Å; R197-N199 PolarHBondContact O-N 2.94Å; R197-Y200 HydrophobicContact CB-CE1 4.25Å; R197-Y200 HydrophobicContact CB-CE2 4.3Å; R197-Y200 HydrophobicContact CG-CE2 3.88Å; R197-Y200 VanDerWaalsContact N-CE1 3.3Å; R197-Y200 PolarHBondContact O-N 2.98Å; R197-E201 HydrophobicContact CG-CB 4.13Å; R197-E201 IonicContact CZ-OE2 3.99Å; R197-E201 IonicContact NE-OE2 3.38Å; R197-E201 PolarHBondContact NE-OE2 2.86Å; R197-E201 IonicContact NH2-OE1 3.68Å; R197-E201 IonicContact NH2-OE2 3.75Å; R197-E201 PolarHBondContact NH2-OE2 3.2Å; R197-E201 CarbonylContact O-C 3.6Å; R197-E201 WeakPolarHBondContact O-CA 3.44Å; R197-E201 PolarHBondContact O-N 3.23Å; R197-E201 VanDerWaalsContact O-O 3.13Å; R197-Y218 HydrophobicContact CB-CE1 4.4Å; R197-Y218 HydrophobicContact CG-CE1 4.48Å; R197-Y218 WeakPolarHBondContact CG-OH 3.48Å; R197-Y218 PolarHBondContact NH1-O 2.67Å; R197-Y218 PolarHBondContact O-OH 3.01Å; R197-E221 IonicContact NE-OE1 2.99Å
198	V	95.5	Very high	95.4	Very high	13 Å²	13	53.4 Å²	53.4	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-56.3	-36.8	176.6	169.8	0	0	0	0	111.6	L105 P109 T194 A195 E196 Y218	L105-V198 HydrophobicContact CB-CG2 4.06Å; L105-V198 HydrophobicContact CD2-CG2 4.22Å; P109-V198 HydrophobicContact CG-CB 4.09Å; P109-V198 HydrophobicContact CG-CG1 3.91Å; T194-V198 WeakPolarHBondContact O-CG2 3.01Å; T194-V198 PolarHBondContact O-N 2.8Å; A195-V198 PolarHBondContact O-N 3.16Å; E196-V198 PolarHBondContact O-N 3.29Å; V198-Y218 WeakPolarHBondContact CA-OH 3.42Å; V198-Y218 HydrophobicContact CG2-CE1 3.61Å; V198-Y218 PolarHBondContact N-OH 3.13Å
199	N	93.7	Very high	95.3	Very high	118 Å²	118	54.7 Å²	54.7	63%	0.631	27%	0.268	S	S	*	.	H	α-helix	trans	-73.3	-34.5	-178.2	-66.8	-36.7	0	0	0	113.7	P109 A195 E196 R197	P109-N199 WeakPolarHBondContact CG-OD1 3.16Å; A195-N199 PolarHBondContact O-N 3.22Å; A195-N199 PolarHBondContact O-ND2 3.46Å; E196-N199 WeakPolarHBondContact O-CB 2.96Å; E196-N199 PolarHBondContact O-N 2.66Å; R197-N199 PolarHBondContact O-N 2.94Å
200	Y	94.5	Very high	95.2	Very high	147 Å²	147	53.8 Å²	53.8	58%	0.576	26%	0.261	S	S	*	.	H	α-helix	trans	-106.4	-26.3	-175.6	64.1	-106.6	0	0	0	114.4	E196 R197	E196-Y200 VanDerWaalsContact C-CD1 3.41Å; E196-Y200 HydrophobicContact CB-CD1 4.48Å; E196-Y200 HydrophobicContact CB-CE1 3.91Å; E196-Y200 WeakPolarHBondContact O-CD1 3.35Å; E196-Y200 WeakPolarHBondContact O-CE1 3.35Å; E196-Y200 PolarHBondContact O-N 3.01Å; R197-Y200 HydrophobicContact CB-CE1 4.25Å; R197-Y200 HydrophobicContact CB-CE2 4.3Å; R197-Y200 HydrophobicContact CG-CE2 3.88Å; R197-Y200 VanDerWaalsContact N-CE1 3.3Å; R197-Y200 PolarHBondContact O-N 2.98Å
201	E	94.8	Very high	95	Very high	60 Å²	60	54.8 Å²	54.8	28%	0.28	27%	0.266	S	S	.	.	S	Bend	trans	-137.5	73.4	179.1	-167.5	-169.3	-166	0	0	109.5	R197 Y218	R197-E201 HydrophobicContact CG-CB 4.13Å; R197-E201 IonicContact CZ-OE2 3.99Å; R197-E201 IonicContact NE-OE2 3.38Å; R197-E201 PolarHBondContact NE-OE2 2.86Å; R197-E201 IonicContact NH2-OE1 3.68Å; R197-E201 IonicContact NH2-OE2 3.75Å; R197-E201 PolarHBondContact NH2-OE2 3.2Å; R197-E201 CarbonylContact O-C 3.6Å; R197-E201 WeakPolarHBondContact O-CA 3.44Å; R197-E201 PolarHBondContact O-N 3.23Å; R197-E201 VanDerWaalsContact O-O 3.13Å; E201-Y218 PolarHBondContact O-OH 3.13Å
202	P	91.2	Very high	94.9	Very high	36 Å²	36	55.6 Å²	55.6	23%	0.234	27%	0.27	C	S	.	.			trans	-60.6	161.9	175.9	26.9	-35.1	0	0	0	111.4	K204	P202-K204 PolarHBondContact O-N 3.4Å
203	P	91.3	Very high	94.9	Very high	35 Å²	35	51.5 Å²	51.5	23%	0.227	25%	0.252	C	S	.	.			trans	-45.4	137.7	175.8	-29.5	35.3	0	0	0	113.2	L105 Y218 S381	L105-P203 HydrophobicContact CD1-CG 3.58Å; P203-Y218 HydrophobicContact CG-CD2 4.01Å; P203-Y218 HydrophobicContact CG-CE2 3.95Å; P203-S381 WeakPolarHBondContact CD-OG 3.23Å
204	K	88.3	Confident	94.8	Very high	160 Å²	160	51.1 Å²	51.1	70%	0.696	25%	0.253	S	S	*	.	S	Bend	trans	-70.6	-32.3	-178.9	-64.1	177.2	-177.6	166.5	0	112.4	P202 E222	P202-K204 PolarHBondContact O-N 3.4Å; K204-E222 IonicContact NZ-OE1 2.92Å; K204-E222 PolarHBondContact NZ-OE1 2.86Å; K204-E222 VanDerWaalsContact NZ-OE1 3.15Å
205	S	90.3	Very high	94.8	Very high	55 Å²	55	51 Å²	51	39%	0.385	25%	0.252	S	S	.	.			trans	-78.1	132.4	175.7	179.6	0	0	0	0	109.8	F207	S205-F207 PolarHBondContact OG-N 2.9Å; S205-F207 PolarHBondContact OG-O 3.32Å
206	D	93.1	Very high	94.8	Very high	70 Å²	70	50.9 Å²	50.9	37%	0.374	25%	0.251	S	S	.	.	S	Bend	trans	-74.7	-19	168.2	-71.1	-42.1	0	0	0	111.6	Y378 G379	D206-Y378 HydrophobicContact CB-CD2 4.2Å; D206-Y378 HydrophobicContact CB-CE2 3.87Å; D206-Y378 CarbonylContact O-C 3.48Å; D206-Y378 VanDerWaalsContact O-CA 3.29Å; D206-Y378 WeakPolarHBondContact O-CA 3.46Å; D206-G379 PolarHBondContact O-N 2.79Å
207	F	95.8	Very high	94.8	Very high	74 Å²	74	48 Å²	48	33%	0.325	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	139.7	-180	-68	-86.8	0	0	0	111.9	S205 I209 G377 Y378 M420	S205-F207 PolarHBondContact OG-N 2.9Å; S205-F207 PolarHBondContact OG-O 3.32Å; F207-I209 HydrophobicContact CB-CD1 4.16Å; F207-I209 HydrophobicContact CB-CG1 4.21Å; F207-G377 WeakPolarHBondContact CA-O 3.26Å; F207-Y378 HydrophobicContact CD1-CD2 4.05Å; F207-Y378 HydrophobicContact CD2-CD2 4.47Å; F207-Y378 AromaticContact CE1-CD2 3.66Å; F207-Y378 HydrophobicContact CE1-CD2 3.66Å; F207-Y378 HydrophobicContact CE1-CE2 4.27Å; F207-Y378 HydrophobicContact CE2-CD2 4.1Å; F207-Y378 HydrophobicContact CE2-CE2 4.01Å; F207-Y378 HydrophobicContact CG-CD2 4.45Å; F207-Y378 AromaticContact CZ-CD2 3.68Å; F207-Y378 HydrophobicContact CZ-CD2 3.68Å; F207-Y378 AromaticContact CZ-CE2 3.81Å; F207-Y378 HydrophobicContact CZ-CE2 3.81Å; F207-M420 HydrophobicContact CE1-CE 3.94Å; F207-M420 HydrophobicContact CE1-SD 4.3Å; F207-M420 HydrophobicContact CZ-CE 4.21Å
208	T	96.8	Very high	94.9	Very high	18 Å²	18	48 Å²	48	11%	0.11	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	110.3	166.8	-59.5	0	0	0	0	107.8	W102 L211 E214 Y376 G377 L380	W102-T208 HydrophobicContact CH2-CG2 3.56Å; W102-T208 HydrophobicContact CZ2-CG2 4.13Å; W102-T208 HydrophobicContact CZ3-CG2 4.15Å; T208-L211 HydrophobicContact CG2-CD1 4.35Å; T208-E214 WeakPolarHBondContact CA-OE1 3.39Å; T208-E214 WeakPolarHBondContact CA-OE2 3.28Å; T208-E214 VanDerWaalsContact CG2-OE2 3.27Å; T208-E214 WeakPolarHBondContact CG2-OE2 3.45Å; T208-Y376 VanDerWaalsContact O-CA 3.31Å; T208-Y376 WeakPolarHBondContact O-CA 3.39Å; T208-Y376 WeakPolarHBondContact O-CB 3.37Å; T208-G377 PolarHBondContact N-O 2.98Å; T208-G377 PolarHBondContact O-N 3.01Å; T208-L380 HydrophobicContact CG2-CD1 4.41Å
209	I	95.8	Very high	95	Very high	33 Å²	33	47.7 Å²	47.7	17%	0.169	24%	0.237	C	C	.	.			trans	-115.6	-64.9	-171.2	-69.6	169.4	0	0	0	110.4	I163 H165 F207 E214 Y376	I163-I209 HydrophobicContact CB-CG2 4.09Å; I163-I209 HydrophobicContact CG2-CG2 4.46Å; H165-I209 WeakPolarHBondContact NE2-CD1 3.48Å; F207-I209 HydrophobicContact CB-CD1 4.16Å; F207-I209 HydrophobicContact CB-CG1 4.21Å; I209-E214 PolarHBondContact N-OE1 3.01Å; I209-Y376 HydrophobicContact CB-CE1 4.35Å; I209-Y376 HydrophobicContact CB-CE2 4.3Å; I209-Y376 HydrophobicContact CD1-CE2 4.45Å; I209-Y376 HydrophobicContact CG1-CD2 3.84Å; I209-Y376 HydrophobicContact CG1-CE2 3.76Å; I209-Y376 HydrophobicContact CG1-CG 4.31Å; I209-Y376 HydrophobicContact CG2-CE1 3.94Å; I209-Y376 HydrophobicContact CG2-CE2 4Å; I209-Y376 WeakPolarHBondContact CG2-OH 3.49Å
210	D	96.1	Very high	95.2	Very high	25 Å²	25	45.3 Å²	45.3	13%	0.134	22%	0.219	C	C	.	.			trans	-115.5	98.5	175.9	-177.4	60.1	0	0	0	110.3	H164 Q212 H213 E214	H164-D210 IonicContact CD2-OD2 3.36Å; H164-D210 IonicContact NE2-OD2 3.72Å; H164-D210 PolarHBondContact NE2-OD2 3Å; H164-D210 VanDerWaalsContact NE2-OD2 3.07Å; D210-Q212 VanDerWaalsContact C-N 3.3Å; D210-Q212 PolarHBondContact O-N 2.63Å; D210-Q212 WeakPolarHBondContact OD1-CG 3.2Å; D210-Q212 WeakPolarHBondContact OD2-CG 3.43Å; D210-H213 HydrophobicContact CB-CB 4.47Å; D210-H213 PolarHBondContact O-N 2.63Å; D210-H213 WeakPolarHBondContact OD2-CB 3.19Å; D210-H213 PolarHBondContact OD2-N 3.46Å; D210-E214 WeakPolarHBondContact O-CB 3.44Å; D210-E214 WeakPolarHBondContact O-CG 3.39Å; D210-E214 PolarHBondContact O-N 3.3Å
211	L	95.2	Very high	95.2	Very high	20 Å²	20	39.2 Å²	39.2	11%	0.105	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-34.8	-169	-179.4	58.9	0	0	0	113.2	W102 S103 I104 F180 T208 I215	W102-L211 HydrophobicContact CE3-CD2 3.98Å; W102-L211 HydrophobicContact CZ3-CB 4.43Å; W102-L211 HydrophobicContact CZ3-CD2 3.96Å; W102-L211 WeakPolarHBondContact O-CD2 3.16Å; S103-L211 VanDerWaalsContact O-CD1 3.24Å; S103-L211 WeakPolarHBondContact O-CD1 3.03Å; I104-L211 HydrophobicContact CD1-CD2 4.41Å; F180-L211 HydrophobicContact CE2-CB 4.36Å; F180-L211 HydrophobicContact CE2-CD2 3.76Å; F180-L211 HydrophobicContact CE2-CG 3.78Å; F180-L211 HydrophobicContact CZ-CD2 4.47Å; F180-L211 HydrophobicContact CZ-CG 4.07Å; T208-L211 HydrophobicContact CG2-CD1 4.35Å; L211-I215 HydrophobicContact CD1-CD1 3.88Å; L211-I215 HydrophobicContact CD1-CG1 3.88Å; L211-I215 HydrophobicContact CG-CD1 4.14Å; L211-I215 HydrophobicContact CG-CG1 4.43Å; L211-I215 WeakPolarHBondContact O-CB 2.99Å; L211-I215 WeakPolarHBondContact O-CG1 3.47Å; L211-I215 PolarHBondContact O-N 2.9Å
212	Q	96.2	Very high	95.1	Very high	18 Å²	18	42.6 Å²	42.6	8%	0.084	21%	0.212	C	C	.	.	H	α-helix	trans	-67.3	-45.9	-178.3	57.7	-173.5	32.1	0	0	111.5	Y177 P178 F180 D210 A216	Y177-Q212 HydrophobicContact CD2-CB 4.32Å; Y177-Q212 HydrophobicContact CD2-CG 3.83Å; Y177-Q212 HydrophobicContact CE2-CG 4.21Å; Y177-Q212 VanDerWaalsContact CE2-NE2 3.26Å; P178-Q212 WeakPolarHBondContact O-CB 3.38Å; F180-Q212 HydrophobicContact CD1-CB 3.7Å; F180-Q212 HydrophobicContact CE1-CB 3.65Å; F180-Q212 HydrophobicContact CG-CB 4.23Å; F180-Q212 HydrophobicContact CZ-CB 4.1Å; D210-Q212 VanDerWaalsContact C-N 3.3Å; D210-Q212 PolarHBondContact O-N 2.63Å; D210-Q212 WeakPolarHBondContact OD1-CG 3.2Å; D210-Q212 WeakPolarHBondContact OD2-CG 3.43Å; Q212-A216 PolarHBondContact O-N 2.95Å
213	H	97	Very high	95.2	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.019	22%	0.224	C	C	.	.	H	α-helix	trans	-68.6	-42.6	175.7	-179.1	-94.8	0	0	0	111.6	H164 F175 Y177 D210 I215 A216 L217	H164-H213 AromaticContact CD2-CG 3.56Å; H164-H213 AromaticContact CD2-ND1 3.74Å; H164-H213 AromaticContact CE1-CD2 3.97Å; H164-H213 AromaticContact CE1-CG 4Å; H164-H213 AromaticContact CG-CD2 3.76Å; H164-H213 AromaticContact CG-CE1 3.86Å; H164-H213 AromaticContact CG-CG 3.63Å; H164-H213 AromaticContact CG-ND1 3.7Å; H164-H213 AromaticContact CG-NE2 3.95Å; H164-H213 AromaticContact ND1-CD2 3.65Å; H164-H213 AromaticContact ND1-CG 3.88Å; H164-H213 WeakPolarHBondContact NE2-CB 3.49Å; H164-H213 AromaticContact NE2-CG 3.84Å; F175-H213 AromaticContact CD1-CD2 3.84Å; F175-H213 AromaticContact CD1-NE2 3.7Å; F175-H213 AromaticContact CE1-CD2 3.88Å; F175-H213 AromaticContact CE1-NE2 3.88Å; Y177-H213 HydrophobicContact CD1-CB 4.34Å; Y177-H213 AromaticContact CD1-CD2 3.63Å; Y177-H213 AromaticContact CE1-CD2 3.91Å; Y177-H213 HydrophobicContact CG-CB 4.25Å; D210-H213 HydrophobicContact CB-CB 4.47Å; D210-H213 PolarHBondContact O-N 2.63Å; D210-H213 WeakPolarHBondContact OD2-CB 3.19Å; D210-H213 PolarHBondContact OD2-N 3.46Å; H213-I215 PolarHBondContact O-N 2.94Å; H213-A216 PolarHBondContact O-N 3.4Å; H213-L217 WeakPolarHBondContact CE1-CD1 3.12Å; H213-L217 PolarHBondContact O-N 2.99Å
214	E	96.8	Very high	95.4	Very high	42 Å²	42	48.9 Å²	48.9	20%	0.196	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-41.6	-180	-74.1	170.8	-179.1	0	0	113.1	T208 I209 D210 L217 Y218	T208-E214 WeakPolarHBondContact CA-OE1 3.39Å; T208-E214 WeakPolarHBondContact CA-OE2 3.28Å; T208-E214 VanDerWaalsContact CG2-OE2 3.27Å; T208-E214 WeakPolarHBondContact CG2-OE2 3.45Å; I209-E214 PolarHBondContact N-OE1 3.01Å; D210-E214 WeakPolarHBondContact O-CB 3.44Å; D210-E214 WeakPolarHBondContact O-CG 3.39Å; D210-E214 PolarHBondContact O-N 3.3Å; E214-L217 PolarHBondContact O-N 3.18Å; E214-Y218 WeakPolarHBondContact O-CB 3.25Å; E214-Y218 PolarHBondContact O-N 3.46Å
215	I	97.3	Very high	95.9	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-44	174.5	-74	-174.4	0	0	0	110.8	I104 L105 F180 W184 L211 H213 L217 Y218 I219	I104-I215 HydrophobicContact CB-CD1 3.64Å; I104-I215 HydrophobicContact CD1-CD1 3.67Å; I104-I215 HydrophobicContact CG1-CD1 4.13Å; I104-I215 HydrophobicContact CG2-CD1 3.93Å; L105-I215 HydrophobicContact CD2-CG1 4.46Å; L105-I215 HydrophobicContact CG-CG1 4.42Å; F180-I215 HydrophobicContact CZ-CD1 3.87Å; W184-I215 HydrophobicContact CH2-CD1 4.05Å; W184-I215 HydrophobicContact CH2-CG2 3.73Å; W184-I215 HydrophobicContact CZ2-CD1 3.83Å; W184-I215 HydrophobicContact CZ2-CG2 4.25Å; W184-I215 HydrophobicContact CZ3-CG2 4.24Å; L211-I215 HydrophobicContact CD1-CD1 3.88Å; L211-I215 HydrophobicContact CD1-CG1 3.88Å; L211-I215 HydrophobicContact CG-CD1 4.14Å; L211-I215 HydrophobicContact CG-CG1 4.43Å; L211-I215 WeakPolarHBondContact O-CB 2.99Å; L211-I215 WeakPolarHBondContact O-CG1 3.47Å; L211-I215 PolarHBondContact O-N 2.9Å; H213-I215 PolarHBondContact O-N 2.94Å; I215-L217 VanDerWaalsContact C-N 3.33Å; I215-L217 PolarHBondContact O-N 3.15Å; I215-Y218 PolarHBondContact O-N 2.88Å; I215-I219 HydrophobicContact CG2-CD1 3.68Å; I215-I219 HydrophobicContact CG2-CG1 4.34Å; I215-I219 WeakPolarHBondContact O-CB 3.43Å; I215-I219 WeakPolarHBondContact O-CG1 3.33Å; I215-I219 PolarHBondContact O-N 3.02Å
216	A	98	Very high	96.2	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.017	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-45.7	178.8	0	0	0	0	0	110.9	F150 F175 Q212 H213 Y218 I219 W220	F150-A216 HydrophobicContact CE1-CB 3.94Å; F150-A216 HydrophobicContact CZ-CB 4.21Å; F175-A216 HydrophobicContact CE1-CB 3.82Å; F175-A216 HydrophobicContact CZ-CB 3.74Å; Q212-A216 PolarHBondContact O-N 2.95Å; H213-A216 PolarHBondContact O-N 3.4Å; A216-Y218 VanDerWaalsContact C-N 3.33Å; A216-Y218 PolarHBondContact O-N 3.22Å; A216-I219 PolarHBondContact O-N 3.18Å; A216-W220 VanDerWaalsContact O-CB 3.28Å; A216-W220 WeakPolarHBondContact O-CB 3.38Å; A216-W220 PolarHBondContact O-N 3.08Å
217	L	97.1	Very high	96.4	Very high	57 Å²	57	41.4 Å²	41.4	30%	0.298	21%	0.212	S	C	.	.	H	α-helix	trans	-59.7	-43.8	175.9	-85.6	-178.5	0	0	0	112	F168 F175 H213 E214 I215 W220 E221	F168-L217 HydrophobicContact CE2-CD2 3.62Å; F168-L217 HydrophobicContact CZ-CD2 3.76Å; F175-L217 HydrophobicContact CE1-CD2 4.04Å; F175-L217 HydrophobicContact CE1-CG 3.99Å; F175-L217 HydrophobicContact CE2-CD2 4.28Å; F175-L217 HydrophobicContact CZ-CB 4.49Å; F175-L217 HydrophobicContact CZ-CD2 3.83Å; F175-L217 HydrophobicContact CZ-CG 4.03Å; H213-L217 WeakPolarHBondContact CE1-CD1 3.12Å; H213-L217 PolarHBondContact O-N 2.99Å; E214-L217 PolarHBondContact O-N 3.18Å; I215-L217 VanDerWaalsContact C-N 3.33Å; I215-L217 PolarHBondContact O-N 3.15Å; L217-W220 HydrophobicContact CD2-CE3 4.25Å; L217-W220 PolarHBondContact O-N 2.99Å; L217-E221 PolarHBondContact O-N 3.43Å
218	Y	97.5	Very high	96.5	Very high	20 Å²	20	38.6 Å²	38.6	8%	0.078	20%	0.2	C	C	.	.	H	α-helix	trans	-67	-38.1	-179.3	-166.6	-95.8	0	0	0	112.1	L105 T194 R197 V198 E201 P203 E214 I215 A216	L105-Y218 HydrophobicContact CD1-CD1 4.07Å; L105-Y218 HydrophobicContact CD1-CD2 4.25Å; L105-Y218 HydrophobicContact CD1-CG 3.87Å; L105-Y218 HydrophobicContact CD2-CD1 3.72Å; L105-Y218 HydrophobicContact CD2-CE1 4.24Å; L105-Y218 HydrophobicContact CD2-CG 4.28Å; T194-Y218 HydrophobicContact CG2-CD1 3.72Å; T194-Y218 HydrophobicContact CG2-CE1 3.74Å; R197-Y218 HydrophobicContact CB-CE1 4.4Å; R197-Y218 HydrophobicContact CG-CE1 4.48Å; R197-Y218 WeakPolarHBondContact CG-OH 3.48Å; R197-Y218 PolarHBondContact NH1-O 2.67Å; R197-Y218 PolarHBondContact O-OH 3.01Å; V198-Y218 WeakPolarHBondContact CA-OH 3.42Å; V198-Y218 HydrophobicContact CG2-CE1 3.61Å; V198-Y218 PolarHBondContact N-OH 3.13Å; E201-Y218 PolarHBondContact O-OH 3.13Å; P203-Y218 HydrophobicContact CG-CD2 4.01Å; P203-Y218 HydrophobicContact CG-CE2 3.95Å; E214-Y218 WeakPolarHBondContact O-CB 3.25Å; E214-Y218 PolarHBondContact O-N 3.46Å; I215-Y218 PolarHBondContact O-N 2.88Å; A216-Y218 VanDerWaalsContact C-N 3.33Å; A216-Y218 PolarHBondContact O-N 3.22Å
219	I	98.1	Very high	96.6	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-68.8	-42.2	175	-73.7	172.9	0	0	0	111.6	F150 W184 I186 L190 R193 T194 I215 A216 E221 G225 P226	F150-I219 HydrophobicContact CB-CG2 4.34Å; F150-I219 HydrophobicContact CD1-CB 4.45Å; F150-I219 HydrophobicContact CD1-CD1 4.26Å; F150-I219 HydrophobicContact CD1-CG2 3.85Å; F150-I219 HydrophobicContact CD2-CD1 4.04Å; F150-I219 HydrophobicContact CE1-CD1 4.17Å; F150-I219 HydrophobicContact CE1-CG2 4.38Å; F150-I219 HydrophobicContact CE2-CD1 3.94Å; F150-I219 HydrophobicContact CG-CD1 4.2Å; F150-I219 HydrophobicContact CG-CG2 4.21Å; F150-I219 HydrophobicContact CZ-CD1 3.98Å; W184-I219 HydrophobicContact CZ3-CD1 4.45Å; I186-I219 HydrophobicContact CG2-CD1 4.32Å; L190-I219 HydrophobicContact CD1-CG2 4.22Å; L190-I219 HydrophobicContact CD2-CG2 4.04Å; R193-I219 PolarHBondContact NH2-O 3.13Å; T194-I219 HydrophobicContact CG2-CG1 4.3Å; I215-I219 HydrophobicContact CG2-CD1 3.68Å; I215-I219 HydrophobicContact CG2-CG1 4.34Å; I215-I219 WeakPolarHBondContact O-CB 3.43Å; I215-I219 WeakPolarHBondContact O-CG1 3.33Å; I215-I219 PolarHBondContact O-N 3.02Å; A216-I219 PolarHBondContact O-N 3.18Å; I219-E221 VanDerWaalsContact C-N 3.3Å; I219-E221 PolarHBondContact O-N 3.46Å; I219-G225 WeakPolarHBondContact O-CA 3.49Å; I219-P226 HydrophobicContact CG2-CG 4.15Å
220	W	97.2	Very high	96.7	Very high	69 Å²	69	41 Å²	41	26%	0.261	22%	0.223	S	C	.	.	H	α-helix	trans	-64.6	-32.1	-177.7	176.7	63.4	0	0	0	112.9	F168 F175 A216 L217 E222 G223 R224 G225	F168-W220 HydrophobicContact CE1-CH2 4.11Å; F168-W220 HydrophobicContact CE1-CZ3 4.16Å; F168-W220 HydrophobicContact CZ-CE3 4.28Å; F168-W220 HydrophobicContact CZ-CH2 4.31Å; F168-W220 AromaticContact CZ-CZ3 3.92Å; F168-W220 HydrophobicContact CZ-CZ3 3.92Å; F175-W220 HydrophobicContact CE2-CB 4.03Å; F175-W220 HydrophobicContact CE2-CD2 4.05Å; F175-W220 HydrophobicContact CE2-CE3 4.26Å; F175-W220 AromaticContact CE2-CG 3.95Å; F175-W220 HydrophobicContact CE2-CG 3.95Å; F175-W220 HydrophobicContact CZ-CB 4.43Å; A216-W220 VanDerWaalsContact O-CB 3.28Å; A216-W220 WeakPolarHBondContact O-CB 3.38Å; A216-W220 PolarHBondContact O-N 3.08Å; L217-W220 HydrophobicContact CD2-CE3 4.25Å; L217-W220 PolarHBondContact O-N 2.99Å; W220-E222 PolarHBondContact O-N 2.95Å; W220-G223 CarbonylContact O-C 3.53Å; W220-G223 WeakPolarHBondContact O-CA 3.46Å; W220-G223 PolarHBondContact O-N 2.87Å; W220-R224 PolarHBondContact O-N 3.04Å; W220-G225 PolarHBondContact O-N 3.47Å
221	E	95.1	Very high	96.8	Very high	18 Å²	18	40 Å²	40	8%	0.084	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	52.3	50.9	171.5	-169.4	-179.8	-171.1	0	0	112.9	R197 L217 I219 G223 R224	R197-E221 IonicContact NE-OE1 2.99Å; L217-E221 PolarHBondContact O-N 3.43Å; I219-E221 VanDerWaalsContact C-N 3.3Å; I219-E221 PolarHBondContact O-N 3.46Å; E221-G223 PolarHBondContact O-N 2.87Å; E221-G223 VanDerWaalsContact O-N 3.08Å; E221-R224 HydrophobicContact CB-CB 4.2Å; E221-R224 VanDerWaalsContact CD-CZ 3.42Å; E221-R224 HydrophobicContact CG-CB 4.02Å; E221-R224 VanDerWaalsContact CG-NH2 3.34Å; E221-R224 WeakPolarHBondContact O-CB 3.25Å; E221-R224 PolarHBondContact O-N 3.07Å; E221-R224 IonicContact OE1-CZ 2.68Å; E221-R224 IonicContact OE1-NE 2.88Å; E221-R224 IonicContact OE1-NH1 3.24Å; E221-R224 PolarHBondContact OE1-NH1 2.9Å; E221-R224 IonicContact OE1-NH2 2.73Å; E221-R224 PolarHBondContact OE1-NH2 3.45Å
222	E	92.8	Very high	96.7	Very high	131 Å²	131	45.8 Å²	45.8	61%	0.612	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	55.1	31.7	179.8	-57.7	172.6	-165.4	0	0	112.2	K204 W220	K204-E222 IonicContact NZ-OE1 2.92Å; K204-E222 PolarHBondContact NZ-OE1 2.86Å; K204-E222 VanDerWaalsContact NZ-OE1 3.15Å; W220-E222 PolarHBondContact O-N 2.95Å
223	G	94.5	Very high	96.7	Very high	47 Å²	47	46.9 Å²	46.9	49%	0.485	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	92.8	-1	179.5	0	0	0	0	0	115.5	W220 E221	W220-G223 CarbonylContact O-C 3.53Å; W220-G223 WeakPolarHBondContact O-CA 3.46Å; W220-G223 PolarHBondContact O-N 2.87Å; E221-G223 PolarHBondContact O-N 2.87Å; E221-G223 VanDerWaalsContact O-N 3.08Å
224	R	95.3	Very high	96.7	Very high	157 Å²	157	46.7 Å²	46.7	59%	0.592	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-24.1	175.8	-65.9	-173.2	-76.6	146.3	-2.8	113	W220 E221	W220-R224 PolarHBondContact O-N 3.04Å; E221-R224 HydrophobicContact CB-CB 4.2Å; E221-R224 VanDerWaalsContact CD-CZ 3.42Å; E221-R224 HydrophobicContact CG-CB 4.02Å; E221-R224 VanDerWaalsContact CG-NH2 3.34Å; E221-R224 WeakPolarHBondContact O-CB 3.25Å; E221-R224 PolarHBondContact O-N 3.07Å; E221-R224 IonicContact OE1-CZ 2.68Å; E221-R224 IonicContact OE1-NE 2.88Å; E221-R224 IonicContact OE1-NH1 3.24Å; E221-R224 PolarHBondContact OE1-NH1 2.9Å; E221-R224 IonicContact OE1-NH2 2.73Å; E221-R224 PolarHBondContact OE1-NH2 3.45Å
225	G	97	Very high	96.6	Very high	13 Å²	13	44.9 Å²	44.9	13%	0.134	25%	0.245	C	C	.	.	S	Bend	trans	-101.6	173.2	176.6	0	0	0	0	0	114.2	I219 W220	I219-G225 WeakPolarHBondContact O-CA 3.49Å; W220-G225 PolarHBondContact O-N 3.47Å
226	P	97.6	Very high	96.3	Very high	28 Å²	28	44.9 Å²	44.9	18%	0.182	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-70.6	146.5	178.6	31.2	-33	0	0	0	110.6	E148 F150 L190 I219	E148-P226 HydrophobicContact CB-CG 4.34Å; F150-P226 HydrophobicContact CB-CG 4.45Å; L190-P226 HydrophobicContact CD1-CG 3.83Å; L190-P226 HydrophobicContact CD2-CG 3.82Å; L190-P226 HydrophobicContact CG-CG 4.46Å; I219-P226 HydrophobicContact CG2-CG 4.15Å
227	T	97.5	Very high	95.9	Very high	87 Å²	87	47 Å²	47	53%	0.534	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-77.9	164.6	164.6	54.2	0	0	0	0	110.4	T229	T227-T229 PolarHBondContact O-N 3.46Å
228	L	98.5	Very high	95.4	Very high	15 Å²	15	48.7 Å²	48.7	8%	0.079	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-61.1	125.4	172.7	-174.7	71.2	0	0	0	110.3	F150 A176 Y177 P178	F150-L228 HydrophobicContact CD1-CB 4Å; F150-L228 HydrophobicContact CD1-CD1 3.84Å; F150-L228 HydrophobicContact CD2-CD1 3.84Å; F150-L228 HydrophobicContact CE1-CB 4.04Å; F150-L228 HydrophobicContact CE1-CD1 3.8Å; F150-L228 HydrophobicContact CE2-CD1 3.79Å; F150-L228 HydrophobicContact CG-CD1 3.87Å; F150-L228 HydrophobicContact CZ-CD1 3.8Å; A176-L228 HydrophobicContact CB-CB 4.3Å; A176-L228 HydrophobicContact CB-CD2 4.29Å; Y177-L228 VanDerWaalsContact C-CD2 3.47Å; P178-L228 HydrophobicContact CB-CD1 4.04Å; P178-L228 HydrophobicContact CB-CD2 4.23Å
229	T	98.4	Very high	94.7	Very high	42 Å²	42	53.5 Å²	53.5	26%	0.258	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.1	170.3	-56.3	0	0	0	0	108.7	F143 W149 F150 L151 G152 T227 V231	F143-T229 HydrophobicContact CE1-CG2 4Å; F143-T229 HydrophobicContact CZ-CG2 4.38Å; W149-T229 HydrophobicContact CZ3-CG2 4.36Å; F150-T229 WeakPolarHBondContact O-CB 3.31Å; F150-T229 PolarHBondContact O-N 3.23Å; L151-T229 HydrophobicContact CD2-CG2 4.05Å; G152-T229 PolarHBondContact N-O 2.89Å; T227-T229 PolarHBondContact O-N 3.46Å; T229-V231 PolarHBondContact O-N 3.33Å
230	A	97.8	Very high	94	Very high	59 Å²	59	56.6 Å²	56.6	49%	0.488	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	132.1	179.8	0	0	0	0	0	111.8	G152	G152-A230 CarbonylContact O-C 3.52Å; G152-A230 WeakPolarHBondContact O-CA 3.45Å
231	V	97.5	Very high	93.4	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.018	32%	0.32	C	S	.	.			trans	-126.9	107	175.8	178.3	0	0	0	0	109.2	V139 F143 L151 G152 T229 E233 F234	V139-V231 HydrophobicContact CG1-CG1 3.68Å; F143-V231 HydrophobicContact CE2-CG2 4.46Å; F143-V231 HydrophobicContact CZ-CG2 4.3Å; L151-V231 HydrophobicContact CB-CG2 3.93Å; L151-V231 HydrophobicContact CD2-CG2 4.29Å; L151-V231 HydrophobicContact CG-CG2 4.5Å; G152-V231 PolarHBondContact O-N 3.41Å; T229-V231 PolarHBondContact O-N 3.33Å; V231-E233 HydrophobicContact CG1-CB 4.39Å; V231-E233 WeakPolarHBondContact CG1-OE2 3.44Å; V231-E233 PolarHBondContact O-N 2.9Å; V231-F234 HydrophobicContact CB-CD2 4.28Å; V231-F234 HydrophobicContact CB-CG 4.19Å; V231-F234 HydrophobicContact CG1-CB 4.45Å; V231-F234 HydrophobicContact CG1-CD1 3.76Å; V231-F234 HydrophobicContact CG1-CD2 4.37Å; V231-F234 HydrophobicContact CG1-CE1 4.04Å; V231-F234 HydrophobicContact CG1-CG 3.93Å; V231-F234 HydrophobicContact CG1-CZ 4.45Å; V231-F234 PolarHBondContact O-N 3.33Å; V231-F234 VanDerWaalsContact O-N 3.1Å
232	N	94.1	Very high	92.7	Very high	142 Å²	142	60 Å²	60	76%	0.759	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.8	-175.9	-68.1	-10.2	0	0	0	113.3	F234 C235	N232-F234 PolarHBondContact O-N 3.44Å; N232-C235 PolarHBondContact O-SG 3.39Å
233	E	96.7	Very high	91.9	Very high	41 Å²	41	57.2 Å²	57.2	19%	0.192	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-8.8	177.5	-57.7	92.1	152.7	0	0	112.7	V139 R142 V231 C235 C247 A248 T249	V139-E233 HydrophobicContact CG2-CB 3.57Å; V139-E233 HydrophobicContact CG2-CG 3.76Å; R142-E233 IonicContact CZ-OE1 3.21Å; R142-E233 VanDerWaalsContact CZ-OE1 3.23Å; R142-E233 IonicContact CZ-OE2 3.22Å; R142-E233 IonicContact NH1-OE1 2.64Å; R142-E233 PolarHBondContact NH1-OE1 3.33Å; R142-E233 IonicContact NH1-OE2 2.89Å; R142-E233 PolarHBondContact NH1-OE2 2.79Å; R142-E233 VanDerWaalsContact NH2-CD 3.28Å; R142-E233 IonicContact NH2-OE1 3.2Å; R142-E233 PolarHBondContact NH2-OE1 3.45Å; R142-E233 IonicContact NH2-OE2 3.7Å; R142-E233 PolarHBondContact NH2-OE2 3.4Å; V231-E233 HydrophobicContact CG1-CB 4.39Å; V231-E233 WeakPolarHBondContact CG1-OE2 3.44Å; V231-E233 PolarHBondContact O-N 2.9Å; E233-C235 PolarHBondContact O-N 3.24Å; E233-C247 CarbonylContact O-C 3.58Å; E233-C247 WeakPolarHBondContact O-CA 3.44Å; E233-A248 HydrophobicContact CB-CB 4.17Å; E233-A248 PolarHBondContact O-N 3.33Å; E233-T249 PolarHBondContact O-N 3.02Å
234	F	97	Very high	91.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	-85.4	112.5	168.6	-69.9	4.3	0	0	0	107.9	M123 L136 V139 L151 R153 A182 G183 A185 V231 N232 A248 T249	M123-F234 HydrophobicContact CE-CE1 4.45Å; M123-F234 HydrophobicContact CE-CE2 4.09Å; M123-F234 HydrophobicContact CE-CZ 4.06Å; M123-F234 HydrophobicContact SD-CE2 4.22Å; M123-F234 HydrophobicContact SD-CZ 3.95Å; L136-F234 HydrophobicContact CD1-CE1 3.8Å; L136-F234 HydrophobicContact CD1-CZ 4.08Å; V139-F234 HydrophobicContact CG1-CE1 3.92Å; V139-F234 HydrophobicContact CG1-CZ 4.36Å; L151-F234 HydrophobicContact CB-CE2 4.29Å; R153-F234 HydrophobicContact CB-CB 4.36Å; R153-F234 WeakPolarHBondContact CB-O 3.42Å; A182-F234 HydrophobicContact CB-CB 4.23Å; G183-F234 WeakPolarHBondContact O-CD2 3.24Å; A185-F234 HydrophobicContact CB-CE2 4.31Å; A185-F234 HydrophobicContact CB-CZ 4.38Å; V231-F234 HydrophobicContact CB-CD2 4.28Å; V231-F234 HydrophobicContact CB-CG 4.19Å; V231-F234 HydrophobicContact CG1-CB 4.45Å; V231-F234 HydrophobicContact CG1-CD1 3.76Å; V231-F234 HydrophobicContact CG1-CD2 4.37Å; V231-F234 HydrophobicContact CG1-CE1 4.04Å; V231-F234 HydrophobicContact CG1-CG 3.93Å; V231-F234 HydrophobicContact CG1-CZ 4.45Å; V231-F234 PolarHBondContact O-N 3.33Å; V231-F234 VanDerWaalsContact O-N 3.1Å; N232-F234 PolarHBondContact O-N 3.44Å; F234-A248 HydrophobicContact CD1-CB 4.14Å; F234-A248 HydrophobicContact CE1-CB 4.2Å; F234-T249 VanDerWaalsContact CA-OG1 3.3Å; F234-T249 WeakPolarHBondContact CA-OG1 3.14Å; F234-T249 HydrophobicContact CD1-CG2 4.4Å
235	C	94.1	Very high	90.7	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.034	33%	0.329	C	S	.	.			trans	-124.4	139.3	-165.3	-66.1	0	0	0	0	111.1	A182 N232 E233 E237 C247 T249	A182-C235 WeakPolarHBondContact CA-O 3.49Å; N232-C235 PolarHBondContact O-SG 3.39Å; E233-C235 PolarHBondContact O-N 3.24Å; C235-E237 WeakPolarHBondContact CA-OE2 3.41Å; C235-E237 WeakPolarHBondContact CB-OE2 3.4Å; C235-C247 HydrophobicContact CB-CB 3.44Å; C235-C247 VanDerWaalsContact CB-CB 3.44Å; C235-C247 WeakPolarHBondContact CB-SG 3.32Å; C235-C247 WeakPolarHBondContact SG-CB 3.19Å; C235-C247 CovalentContact SG-SG 2.02Å; C235-C247 PolarHBondContact SG-SG 3.27Å; C235-T249 VanDerWaalsContact CB-O 3.27Å; C235-T249 WeakPolarHBondContact CB-O 3.32Å; C235-T249 PolarHBondContact N-OG1 3.41Å; C235-T249 PolarHBondContact O-OG1 3Å
236	S	90.6	Very high	90.2	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.014	34%	0.338	C	S	.	.			trans	-107.6	18.9	171.2	48.2	0	0	0	0	111.8	D179 V251 R454	D179-S236 WeakPolarHBondContact OD2-CB 3.5Å; D179-S236 PolarHBondContact OD2-OG 3.29Å; S236-V251 WeakPolarHBondContact O-CG2 3.33Å; S236-R454 PolarHBondContact OG-NE 3.26Å; S236-R454 PolarHBondContact OG-NH1 3Å
237	E	88.6	Confident	90.1	Very high	45 Å²	45	54.4 Å²	54.4	21%	0.21	33%	0.332	C	S	.	.	S	Bend	trans	-76.7	149.2	172.7	-69.9	74.2	-173.4	0	0	111.6	R153 C235 H239 V251	R153-E237 IonicContact CZ-OE1 2.64Å; R153-E237 IonicContact NH1-OE1 3.59Å; R153-E237 PolarHBondContact NH1-OE1 2.9Å; R153-E237 IonicContact NH1-OE2 2.63Å; R153-E237 PolarHBondContact NH1-OE2 3.38Å; R153-E237 IonicContact NH2-OE1 3.55Å; C235-E237 WeakPolarHBondContact CA-OE2 3.41Å; C235-E237 WeakPolarHBondContact CB-OE2 3.4Å; E237-H239 PolarHBondContact O-N 3Å; E237-V251 VanDerWaalsContact O-CG2 3.3Å; E237-V251 WeakPolarHBondContact O-CG2 3.44Å; E237-V251 PolarHBondContact O-N 3.25Å
238	L	86.8	Confident	90.1	Very high	94 Å²	94	50.2 Å²	50.2	49%	0.492	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-62.4	130.4	178.7	-71	174.3	0	0	0	111.3	G240 S241 V251 T253	L238-G240 PolarHBondContact O-N 3.19Å; L238-S241 WeakPolarHBondContact O-CB 3.17Å; L238-S241 PolarHBondContact O-N 3Å; L238-S241 VanDerWaalsContact O-N 3.12Å; L238-S241 PolarHBondContact O-OG 2.93Å; L238-S241 VanDerWaalsContact O-OG 3.1Å; L238-V251 WeakPolarHBondContact CA-O 3.3Å; L238-V251 HydrophobicContact CD2-CG2 4.38Å; L238-T253 HydrophobicContact CD2-CG2 4.11Å
239	H	84.4	Confident	90	Very high	121 Å²	121	49.7 Å²	49.7	56%	0.56	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	132.6	177	177.7	-90.2	0	0	0	111.9	I130 E237 A250 V251	I130-H239 HydrophobicContact CD1-CB 3.47Å; I130-H239 VanDerWaalsContact CD1-CB 3.47Å; E237-H239 PolarHBondContact O-N 3Å; H239-A250 HydrophobicContact CB-CB 4.09Å; H239-V251 PolarHBondContact N-O 2.98Å
240	G	82.3	Confident	89.8	Confident	70 Å²	70	47.9 Å²	47.9	72%	0.722	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-2.9	-177.5	0	0	0	0	0	114.8	L238	L238-G240 PolarHBondContact O-N 3.19Å
241	S	83.9	Confident	89.4	Confident	40 Å²	40	45.1 Å²	45.1	28%	0.28	27%	0.27	S	S	.	.	S	Bend	trans	-67.7	157	167.5	76.1	0	0	0	0	111	L238 S243 A244	L238-S241 WeakPolarHBondContact O-CB 3.17Å; L238-S241 PolarHBondContact O-N 3Å; L238-S241 VanDerWaalsContact O-N 3.12Å; L238-S241 PolarHBondContact O-OG 2.93Å; L238-S241 VanDerWaalsContact O-OG 3.1Å; S241-S243 PolarHBondContact O-N 3.4Å; S241-S243 PolarHBondContact OG-N 3.44Å; S241-S243 PolarHBondContact OG-OG 3.02Å; S241-A244 PolarHBondContact O-N 3.01Å; S241-A244 VanDerWaalsContact O-N 3.12Å; S241-A244 WeakPolarHBondContact OG-CB 3.03Å; S241-A244 PolarHBondContact OG-N 2.76Å; S241-A244 VanDerWaalsContact OG-N 3.12Å
242	S	80.7	Confident	88.5	Confident	119 Å²	119	49 Å²	49	83%	0.832	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-58.5	-35.5	172.5	51	0	0	0	0	112.2	A244 K245	S242-A244 VanDerWaalsContact C-N 3.29Å; S242-A244 PolarHBondContact O-N 3.27Å; S242-K245 WeakPolarHBondContact O-CB 3.3Å; S242-K245 PolarHBondContact O-N 2.72Å
243	S	77.1	Confident	87.4	Confident	71 Å²	71	45.7 Å²	45.7	50%	0.497	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-69.1	-23.3	177.8	61.3	0	0	0	0	113.6	S241 K245	S241-S243 PolarHBondContact O-N 3.4Å; S241-S243 PolarHBondContact OG-N 3.44Å; S241-S243 PolarHBondContact OG-OG 3.02Å; S243-K245 VanDerWaalsContact C-N 3.34Å
244	A	81.2	Confident	85.6	Confident	14 Å²	14	45.4 Å²	45.4	12%	0.116	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-82.8	-6.4	-179.6	0	0	0	0	0	114	S241 S242 C246 C247 A250	S241-A244 PolarHBondContact O-N 3.01Å; S241-A244 VanDerWaalsContact O-N 3.12Å; S241-A244 WeakPolarHBondContact OG-CB 3.03Å; S241-A244 PolarHBondContact OG-N 2.76Å; S241-A244 VanDerWaalsContact OG-N 3.12Å; S242-A244 VanDerWaalsContact C-N 3.29Å; S242-A244 PolarHBondContact O-N 3.27Å; A244-C246 VanDerWaalsContact C-N 3.28Å; A244-C246 PolarHBondContact O-N 2.91Å; A244-C247 WeakPolarHBondContact O-CB 3.49Å; A244-C247 PolarHBondContact O-N 3.1Å; A244-C247 VanDerWaalsContact O-N 3.09Å; A244-A250 HydrophobicContact CB-CB 4.49Å
245	K	82.4	Confident	84	Confident	117 Å²	117	47.4 Å²	47.4	51%	0.509	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-36.3	-173	-173.2	178.4	176.4	-175.3	0	113.4	D30 S242 S243	D30-K245 IonicContact OD1-NZ 2.57Å; D30-K245 PolarHBondContact OD1-NZ 2.64Å; S242-K245 WeakPolarHBondContact O-CB 3.3Å; S242-K245 PolarHBondContact O-N 2.72Å; S243-K245 VanDerWaalsContact C-N 3.34Å
246	C	87.9	Confident	82.4	Confident	47 Å²	47	48.3 Å²	48.3	32%	0.318	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	2.2	-177.7	-56.3	0	0	0	0	113.5	C32 A244	C32-C246 WeakPolarHBondContact CA-SG 3.39Å; C32-C246 HydrophobicContact CB-CB 3.81Å; C32-C246 WeakPolarHBondContact CB-SG 3.28Å; C32-C246 VanDerWaalsContact SG-CA 3.53Å; C32-C246 WeakPolarHBondContact SG-CB 3.05Å; C32-C246 CovalentContact SG-SG 2.03Å; C32-C246 PolarHBondContact SG-SG 3.46Å; A244-C246 VanDerWaalsContact C-N 3.28Å; A244-C246 PolarHBondContact O-N 2.91Å
247	C	95.1	Very high	81.2	Confident	8 Å²	8	53.3 Å²	53.3	5%	0.054	33%	0.331	C	S	.	.			trans	-85.5	142.1	-171.5	-57.9	0	0	0	0	112.3	N135 E233 C235 A244 T249	N135-C247 PolarHBondContact ND2-O 3.13Å; E233-C247 CarbonylContact O-C 3.58Å; E233-C247 WeakPolarHBondContact O-CA 3.44Å; C235-C247 HydrophobicContact CB-CB 3.44Å; C235-C247 VanDerWaalsContact CB-CB 3.44Å; C235-C247 WeakPolarHBondContact CB-SG 3.32Å; C235-C247 WeakPolarHBondContact SG-CB 3.19Å; C235-C247 CovalentContact SG-SG 2.02Å; C235-C247 PolarHBondContact SG-SG 3.27Å; A244-C247 WeakPolarHBondContact O-CB 3.49Å; A244-C247 PolarHBondContact O-N 3.1Å; A244-C247 VanDerWaalsContact O-N 3.09Å; C247-T249 WeakPolarHBondContact CB-O 3.35Å
248	A	96.8	Very high	80.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	34%	0.335	C	S	.	.	S	Bend	trans	-79.5	-27.1	166.8	0	0	0	0	0	111.6	V131 N132 N135 L136 V139 E233 F234	V131-A248 CarbonylContact C-O 3.51Å; V131-A248 WeakPolarHBondContact CA-O 3.43Å; N132-A248 PolarHBondContact N-O 3.26Å; N135-A248 HydrophobicContact CB-CB 4.08Å; L136-A248 HydrophobicContact CB-CB 4.16Å; L136-A248 HydrophobicContact CD1-CB 4.48Å; V139-A248 HydrophobicContact CG2-CB 4.18Å; E233-A248 HydrophobicContact CB-CB 4.17Å; E233-A248 PolarHBondContact O-N 3.33Å; F234-A248 HydrophobicContact CD1-CB 4.14Å; F234-A248 HydrophobicContact CE1-CB 4.2Å
249	T	97	Very high	80.9	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.018	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	160.5	173.4	57.7	0	0	0	0	110.8	M123 L125 T129 I130 V131 A182 E233 F234 C235 C247	M123-T249 HydrophobicContact CE-CG2 3.76Å; L125-T249 HydrophobicContact CD2-CG2 4.48Å; T129-T249 HydrophobicContact CG2-CG2 4.15Å; I130-T249 CarbonylContact O-C 3.49Å; I130-T249 WeakPolarHBondContact O-CA 3.08Å; V131-T249 HydrophobicContact CG2-CG2 4.34Å; A182-T249 WeakPolarHBondContact O-CB 3.47Å; A182-T249 WeakPolarHBondContact O-CG2 3.35Å; A182-T249 PolarHBondContact O-OG1 3.09Å; E233-T249 PolarHBondContact O-N 3.02Å; F234-T249 VanDerWaalsContact CA-OG1 3.3Å; F234-T249 WeakPolarHBondContact CA-OG1 3.14Å; F234-T249 HydrophobicContact CD1-CG2 4.4Å; C235-T249 VanDerWaalsContact CB-O 3.27Å; C235-T249 WeakPolarHBondContact CB-O 3.32Å; C235-T249 PolarHBondContact N-OG1 3.41Å; C235-T249 PolarHBondContact O-OG1 3Å; C247-T249 WeakPolarHBondContact CB-O 3.35Å
250	A	93.9	Very high	81.3	Confident	5 Å²	5	54.6 Å²	54.6	4%	0.041	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	171.5	171.7	0	0	0	0	0	108	T129 I130 H239 A244	T129-A250 CarbonylContact C-O 3.59Å; T129-A250 WeakPolarHBondContact CA-O 3Å; I130-A250 PolarHBondContact N-O 2.95Å; I130-A250 PolarHBondContact O-N 2.67Å; H239-A250 HydrophobicContact CB-CB 4.09Å; A244-A250 HydrophobicContact CB-CB 4.49Å
251	V	88.9	Confident	81.9	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	146.9	177.7	-65.7	0	0	0	0	111.6	M181 S236 E237 L238 H239 Y254	M181-V251 HydrophobicContact CB-CG1 4.09Å; M181-V251 WeakPolarHBondContact O-CG1 3.46Å; S236-V251 WeakPolarHBondContact O-CG2 3.33Å; E237-V251 VanDerWaalsContact O-CG2 3.3Å; E237-V251 WeakPolarHBondContact O-CG2 3.44Å; E237-V251 PolarHBondContact O-N 3.25Å; L238-V251 WeakPolarHBondContact CA-O 3.3Å; L238-V251 HydrophobicContact CD2-CG2 4.38Å; H239-V251 PolarHBondContact N-O 2.98Å; V251-Y254 HydrophobicContact CB-CE1 4.23Å; V251-Y254 HydrophobicContact CG1-CE1 4.3Å; V251-Y254 HydrophobicContact CG2-CE1 4.45Å; V251-Y254 HydrophobicContact CG2-CE2 4.27Å; V251-Y254 WeakPolarHBondContact CG2-OH 3.39Å
252	N	79.8	Confident	82.6	Confident	84 Å²	84	53.1 Å²	53.1	45%	0.449	33%	0.327	S	S	.	.			trans	-82.8	163.1	161	-155.6	3.6	0	0	0	110.1	E128 I130 Y254	E128-N252 PolarHBondContact O-N 3.43Å; I130-N252 HydrophobicContact CD1-CB 4.1Å; N252-Y254 PolarHBondContact O-N 2.82Å
253	T	69.4	Low	83.4	Confident	72 Å²	72	52.2 Å²	52.2	44%	0.442	31%	0.312	S	S	.	.			trans	-53.1	134.6	-179.9	56.7	0	0	0	0	112.5	L238	L238-T253 HydrophobicContact CD2-CG2 4.11Å
254	Y	60	Low	84.3	Confident	36 Å²	36	52 Å²	52	14%	0.141	30%	0.302	C	S	.	.	S	Bend	trans	-71.5	-31	-173.8	-61.4	-67.7	0	0	0	115.4	M181 V251 N252 R454	M181-Y254 HydrophobicContact CE-CD1 3.55Å; M181-Y254 HydrophobicContact CE-CE1 2.93Å; M181-Y254 HydrophobicContact CE-CE2 4.15Å; M181-Y254 HydrophobicContact CE-CG 4.38Å; M181-Y254 WeakPolarHBondContact CE-OH 3.46Å; M181-Y254 HydrophobicContact SD-CE1 3.96Å; M181-Y254 PolarHBondContact SD-OH 2.87Å; V251-Y254 HydrophobicContact CB-CE1 4.23Å; V251-Y254 HydrophobicContact CG1-CE1 4.3Å; V251-Y254 HydrophobicContact CG2-CE1 4.45Å; V251-Y254 HydrophobicContact CG2-CE2 4.27Å; V251-Y254 WeakPolarHBondContact CG2-OH 3.39Å; N252-Y254 PolarHBondContact O-N 2.82Å; Y254-R454 WeakPolarHBondContact CD2-O 3.48Å; Y254-R454 HydrophobicContact CE2-CB 4Å; Y254-R454 WeakPolarHBondContact CE2-O 3.29Å
255	L	63.9	Low	85.1	Confident	41 Å²	41	56.8 Å²	56.8	22%	0.215	32%	0.322	C	S	.	.	S	Bend	trans	-93.9	93.4	165.2	-89.6	144.8	0	0	0	107.2	A257 R359 S456	L255-A257 PolarHBondContact O-N 2.91Å; L255-R359 HydrophobicContact CD2-CB 3.56Å; L255-S456 VanDerWaalsContact CD1-CB 3.49Å
256	S	59.5	Low	85.8	Confident	25 Å²	25	53.9 Å²	53.9	18%	0.175	31%	0.312	C	S	.	.			trans	-57.1	138.5	170.1	33.4	0	0	0	0	109.9	Y63 R67 C258	Y63-S256 PolarHBondContact OH-OG 3.29Å; R67-S256 PolarHBondContact NH1-OG 3.23Å; S256-C258 PolarHBondContact O-N 2.89Å; S256-C258 PolarHBondContact OG-SG 2.84Å
257	A	66.6	Low	86.3	Confident	106 Å²	106	52 Å²	52	88%	0.876	30%	0.299	S	S	*	.			trans	-69.9	70.1	167.4	0	0	0	0	0	109.5	L255 G259	L255-A257 PolarHBondContact O-N 2.91Å; A257-G259 PolarHBondContact O-N 3.4Å
258	C	82.4	Confident	86.5	Confident	42 Å²	42	51.6 Å²	51.6	28%	0.284	30%	0.297	S	S	.	.			trans	-71.2	-6.6	178.3	-66.8	0	0	0	0	113.1	Y63 S256 C363	Y63-C258 VanDerWaalsContact CE2-SG 3.6Å; S256-C258 PolarHBondContact O-N 2.89Å; S256-C258 PolarHBondContact OG-SG 2.84Å; C258-C363 VanDerWaalsContact CB-CA 3.45Å; C258-C363 HydrophobicContact CB-CB 3.72Å; C258-C363 WeakPolarHBondContact CB-SG 3.47Å; C258-C363 WeakPolarHBondContact SG-CA 3.38Å; C258-C363 WeakPolarHBondContact SG-CB 3.43Å; C258-C363 CovalentContact SG-SG 2.03Å; C258-C363 PolarHBondContact SG-SG 3.22Å
259	G	86.3	Confident	86.6	Confident	53 Å²	53	51.7 Å²	51.7	55%	0.546	30%	0.297	S	S	.	.	S	Bend	trans	137.8	-154.2	175.9	0	0	0	0	0	111.3	A257	A257-G259 PolarHBondContact O-N 3.4Å
260	K	93.1	Very high	86.7	Confident	193 Å²	193	51.5 Å²	51.5	84%	0.839	30%	0.296	S	S	*	.	S	Bend	trans	-71.7	137.1	173.7	-66.5	-178.6	-179	178.1	0	108.8	S362	K260-S362 WeakPolarHBondContact O-CB 3.42Å
261	P	95.2	Very high	86.9	Confident	59 Å²	59	51.3 Å²	51.3	38%	0.383	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-54.1	142.8	174.1	-22.2	31.5	0	0	0	111.1	R358 R359	P261-R358 HydrophobicContact CB-CB 4.19Å; P261-R359 HydrophobicContact CB-CG 4.22Å; P261-R359 HydrophobicContact CG-CG 3.88Å
262	V	97	Very high	87.3	Confident	20 Å²	20	51.5 Å²	51.5	12%	0.121	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-50.5	146.6	171.5	171.8	0	0	0	0	109.8	D266 V267 R358 L361	V262-D266 HydrophobicContact CG1-CB 3.52Å; V262-V267 HydrophobicContact CG1-CG2 3.96Å; V262-R358 HydrophobicContact CB-CB 4.38Å; V262-R358 PolarHBondContact N-O 3.02Å; V262-R358 PolarHBondContact O-NE 3.49Å; V262-R358 PolarHBondContact O-NH2 3.24Å; V262-L361 HydrophobicContact CB-CB 4.42Å; V262-L361 HydrophobicContact CG2-CB 3.72Å
263	L	97.6	Very high	88.1	Confident	100 Å²	100	47.8 Å²	47.8	52%	0.524	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-66.2	160	-179.6	-60.7	177.4	0	0	0	111.7	E265 D266	L263-E265 WeakPolarHBondContact CB-OE2 3.43Å; L263-E265 PolarHBondContact O-N 3.46Å; L263-D266 HydrophobicContact CB-CB 4.26Å; L263-D266 WeakPolarHBondContact CB-OD2 3.49Å; L263-D266 PolarHBondContact O-N 3.18Å
264	K	96.8	Very high	89.4	Confident	65 Å²	65	44.7 Å²	44.7	28%	0.283	26%	0.256	S	S	.	.	S	Bend	trans	-66.3	-36.3	179	-73.6	-168.7	165.2	-166.9	0	110.2	D266 V267 D292 A294	K264-D266 PolarHBondContact O-N 2.97Å; K264-V267 PolarHBondContact O-N 3.3Å; K264-D292 WeakPolarHBondContact CD-O 3.47Å; K264-D292 WeakPolarHBondContact CE-O 3.37Å; K264-D292 IonicContact NZ-OD1 3.5Å; K264-D292 PolarHBondContact NZ-OD1 3.45Å; K264-A294 HydrophobicContact CB-CB 3.67Å
265	E	97.3	Very high	91.1	Very high	115 Å²	115	48.7 Å²	48.7	54%	0.537	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.1	-177.1	-57.5	69.8	-152	0	0	112.1	L263 V267 A294	L263-E265 WeakPolarHBondContact CB-OE2 3.43Å; L263-E265 PolarHBondContact O-N 3.46Å; E265-V267 VanDerWaalsContact C-N 3.29Å; E265-V267 PolarHBondContact O-N 3.13Å; E265-A294 HydrophobicContact CG-CB 4.13Å
266	D	98.1	Very high	92.6	Very high	56 Å²	56	55.9 Å²	55.9	30%	0.299	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	2.2	-179.9	-74.1	-23.9	0	0	0	113.5	V262 L263 K264 P341 W342	V262-D266 HydrophobicContact CG1-CB 3.52Å; L263-D266 HydrophobicContact CB-CB 4.26Å; L263-D266 WeakPolarHBondContact CB-OD2 3.49Å; L263-D266 PolarHBondContact O-N 3.18Å; K264-D266 PolarHBondContact O-N 2.97Å; D266-P341 HydrophobicContact CB-CG 3.91Å; D266-P341 VanDerWaalsContact O-CD 3.31Å; D266-P341 WeakPolarHBondContact O-CD 3.46Å; D266-W342 WeakPolarHBondContact O-CB 3.44Å; D266-W342 PolarHBondContact O-N 3.16Å
267	V	98.6	Very high	94.3	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.042	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	115.3	174.5	-174.6	0	0	0	0	109.2	V262 K264 E265 V269 W342 L344 R358 L361	V262-V267 HydrophobicContact CG1-CG2 3.96Å; K264-V267 PolarHBondContact O-N 3.3Å; E265-V267 VanDerWaalsContact C-N 3.29Å; E265-V267 PolarHBondContact O-N 3.13Å; V267-V269 HydrophobicContact CG1-CG2 4.38Å; V267-W342 HydrophobicContact CG2-CB 4.23Å; V267-L344 HydrophobicContact CG1-CB 4.29Å; V267-R358 HydrophobicContact CG2-CG 4.16Å; V267-L361 HydrophobicContact CG2-CD1 4.07Å
268	F	98.8	Very high	95.7	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	129	169.6	179.3	-110.7	0	0	0	110.3	A270 S295 E297 F332 V337 T338 A340 W342 L343 L344	F268-A270 HydrophobicContact CE1-CB 4.36Å; F268-S295 WeakPolarHBondContact CD2-OG 3.38Å; F268-E297 HydrophobicContact CE2-CB 4.48Å; F268-E297 HydrophobicContact CE2-CG 4.07Å; F268-E297 HydrophobicContact CZ-CB 4.02Å; F268-E297 HydrophobicContact CZ-CG 3.92Å; F268-F332 HydrophobicContact CB-CD2 4.13Å; F268-F332 HydrophobicContact CB-CE2 3.9Å; F268-F332 AromaticContact CD1-CD2 3.7Å; F268-F332 HydrophobicContact CD1-CD2 3.7Å; F268-F332 HydrophobicContact CD1-CE2 4.32Å; F268-F332 HydrophobicContact CG-CD2 4.19Å; F268-F332 HydrophobicContact CG-CE2 4.46Å; F268-V337 HydrophobicContact CD1-CG2 4.49Å; F268-V337 HydrophobicContact CE1-CG2 4.06Å; F268-V337 HydrophobicContact CE2-CB 4.17Å; F268-V337 HydrophobicContact CE2-CG2 4.22Å; F268-V337 HydrophobicContact CZ-CB 4.11Å; F268-V337 HydrophobicContact CZ-CG1 4.5Å; F268-V337 HydrophobicContact CZ-CG2 3.91Å; F268-T338 HydrophobicContact CB-CG2 3.52Å; F268-T338 HydrophobicContact CD1-CG2 4.28Å; F268-T338 HydrophobicContact CD2-CG2 3.78Å; F268-T338 HydrophobicContact CG-CG2 3.6Å; F268-A340 HydrophobicContact CB-CB 4.27Å; F268-W342 PolarHBondContact N-O 3.14Å; F268-L343 HydrophobicContact CD1-CD1 3.63Å; F268-L343 HydrophobicContact CE1-CD1 4.24Å; F268-L344 PolarHBondContact O-N 3.49Å
269	V	98.8	Very high	96.3	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.4	-179.3	-171.7	0	0	0	0	110.8	V267 V271 W289 A293 S295 L296 E297 L344 V346 L354	V267-V269 HydrophobicContact CG1-CG2 4.38Å; V269-V271 HydrophobicContact CG1-CG2 4.15Å; V269-W289 HydrophobicContact CG1-CH2 3.99Å; V269-W289 HydrophobicContact CG1-CZ3 3.85Å; V269-A293 HydrophobicContact CG2-CB 4.03Å; V269-S295 PolarHBondContact N-O 2.95Å; V269-L296 HydrophobicContact CB-CB 4.13Å; V269-L296 HydrophobicContact CB-CD1 3.89Å; V269-L296 HydrophobicContact CB-CG 4Å; V269-L296 HydrophobicContact CG1-CD1 3.8Å; V269-L296 HydrophobicContact CG1-CG 4.23Å; V269-L296 CarbonylContact O-C 3.51Å; V269-L296 VanDerWaalsContact O-CA 3.23Å; V269-L296 WeakPolarHBondContact O-CA 3.4Å; V269-E297 PolarHBondContact O-N 3.12Å; V269-L344 HydrophobicContact CG1-CD2 3.91Å; V269-L344 HydrophobicContact CG1-CG 4.34Å; V269-L344 HydrophobicContact CG2-CD2 4.09Å; V269-V346 HydrophobicContact CG1-CG2 4.23Å; V269-L354 HydrophobicContact CG2-CD1 4.46Å; V269-L354 HydrophobicContact CG2-CD2 4.33Å
270	A	98.7	Very high	96.7	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	112.4	174.1	0	0	0	0	0	109.6	F268 Y299 I328 L343 L344 I345 V346	F268-A270 HydrophobicContact CE1-CB 4.36Å; A270-Y299 HydrophobicContact CB-CD2 3.88Å; A270-Y299 HydrophobicContact CB-CE2 3.48Å; A270-Y299 VanDerWaalsContact CB-CE2 3.48Å; A270-I328 HydrophobicContact CB-CD1 4.48Å; A270-I328 HydrophobicContact CB-CG2 3.55Å; A270-L343 HydrophobicContact CB-CD1 4.06Å; A270-L344 PolarHBondContact N-O 3.41Å; A270-I345 HydrophobicContact CB-CG1 4.36Å; A270-I345 WeakPolarHBondContact O-CA 3.46Å; A270-V346 PolarHBondContact O-N 2.94Å
271	V	98.5	Very high	96.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.4	177.9	-171.7	0	0	0	0	109.3	V269 W289 L296 E297 Y298 Y299 V346 D348	V269-V271 HydrophobicContact CG1-CG2 4.15Å; V271-W289 HydrophobicContact CG2-CH2 3.72Å; V271-L296 HydrophobicContact CG2-CD1 3.8Å; V271-L296 HydrophobicContact CG2-CD2 4.08Å; V271-L296 HydrophobicContact CG2-CG 4.01Å; V271-E297 PolarHBondContact N-O 3.22Å; V271-Y298 HydrophobicContact CB-CD1 3.68Å; V271-Y298 HydrophobicContact CB-CE1 3.91Å; V271-Y298 HydrophobicContact CG1-CD1 3.82Å; V271-Y298 HydrophobicContact CG1-CE1 3.82Å; V271-Y298 HydrophobicContact CG2-CD1 4.23Å; V271-Y298 HydrophobicContact CG2-CE1 4.06Å; V271-Y299 PolarHBondContact O-N 3.02Å; V271-V346 HydrophobicContact CB-CG2 4.48Å; V271-V346 HydrophobicContact CG2-CG2 4.01Å; V271-D348 HydrophobicContact CG1-CB 4.28Å
272	K	97.9	Very high	97	Very high	5 Å²	5	54.7 Å²	54.7	2%	0.022	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.2	171.9	-67.8	-176.4	-71	151.3	0	109.2	H321 K324 I328 I345 V346 D347 D348 D418	K272-H321 HydrophobicContact CD-CB 4.47Å; K272-K324 HydrophobicContact CG-CD 4.37Å; K272-I328 HydrophobicContact CD-CD1 4.48Å; K272-I328 HydrophobicContact CG-CD1 3.84Å; K272-I345 HydrophobicContact CD-CG2 4.14Å; K272-I345 HydrophobicContact CG-CG2 4.22Å; K272-V346 PolarHBondContact N-O 3.25Å; K272-D347 WeakPolarHBondContact CE-OD1 3.36Å; K272-D347 IonicContact NZ-OD1 3.83Å; K272-D347 PolarHBondContact NZ-OD1 2.93Å; K272-D348 WeakPolarHBondContact O-CB 3.36Å; K272-D348 PolarHBondContact O-N 3.19Å; K272-D348 VanDerWaalsContact O-N 3.08Å; K272-D418 IonicContact NZ-OD1 3.95Å; K272-D418 IonicContact NZ-OD2 3.84Å; K272-D418 PolarHBondContact NZ-OD2 3.42Å
273	T	96.9	Very high	97	Very high	6 Å²	6	56.4 Å²	56.4	4%	0.037	26%	0.256	C	S	.	.			trans	-144.8	-176.5	174.3	-167.5	0	0	0	0	110.6	V282 Y299 K324 D348	T273-V282 HydrophobicContact CG2-CG2 4.34Å; T273-Y299 PolarHBondContact N-O 3.48Å; T273-Y299 VanDerWaalsContact O-O 3.05Å; T273-K324 PolarHBondContact O-NZ 2.78Å; T273-D348 WeakPolarHBondContact CA-OD2 3.39Å; T273-D348 VanDerWaalsContact CB-OD2 3.25Å; T273-D348 WeakPolarHBondContact CB-OD2 3.47Å; T273-D348 PolarHBondContact OG1-OD2 2.83Å
274	C	95.7	Very high	97	Very high	7 Å²	7	53 Å²	53	5%	0.047	24%	0.238	C	C	.	.			trans	-149	164.9	168.7	67.6	0	0	0	0	110.6	R276 F277 H278 S300 D301 N316	C274-R276 PolarHBondContact O-N 3.02Å; C274-F277 PolarHBondContact O-N 3.16Å; C274-F277 WeakPolarHBondContact SG-CD2 3.47Å; C274-H278 PolarHBondContact O-CD2 3.04Å; C274-S300 WeakPolarHBondContact CA-OG 3.49Å; C274-D301 WeakPolarHBondContact CA-OD1 3.44Å; C274-D301 VanDerWaalsContact CB-OD1 3.27Å; C274-D301 WeakPolarHBondContact CB-OD1 3.2Å; C274-N316 HydrophobicContact CB-CB 4.3Å; C274-N316 WeakPolarHBondContact CB-OD1 3.48Å
275	Q	95.3	Very high	97.1	Very high	121 Å²	121	49.9 Å²	49.9	57%	0.565	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-48	-37.7	-176.5	-172.1	176.6	21.9	0	0	113.1	F277 H278 S300 D301 V302	Q275-F277 PolarHBondContact O-N 2.94Å; Q275-H278 PolarHBondContact O-N 3.36Å; Q275-S300 PolarHBondContact N-OG 3.06Å; Q275-D301 PolarHBondContact N-OD1 3.04Å; Q275-V302 HydrophobicContact CB-CG1 4.25Å; Q275-V302 HydrophobicContact CB-CG2 3.7Å; Q275-V302 HydrophobicContact CG-CG1 4.49Å; Q275-V302 HydrophobicContact CG-CG2 3.81Å
276	R	94.9	Very high	97.1	Very high	192 Å²	192	48 Å²	48	73%	0.725	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-56.5	-36.2	178.7	-179.4	-179	175.7	178.3	-1.5	112.8	C274	C274-R276 PolarHBondContact O-N 3.02Å
277	F	95.8	Very high	97	Very high	42 Å²	42	51.4 Å²	51.4	18%	0.184	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-101.7	-0.3	-170.1	-63.1	-47.5	0	0	0	114.4	C274 Q275 R279 D280 R281 V282 D348	C274-F277 PolarHBondContact O-N 3.16Å; C274-F277 WeakPolarHBondContact SG-CD2 3.47Å; Q275-F277 PolarHBondContact O-N 2.94Å; F277-R279 PolarHBondContact O-N 3.36Å; F277-D280 PolarHBondContact O-N 3.38Å; F277-R281 HydrophobicContact CB-CB 4.09Å; F277-R281 HydrophobicContact CB-CG 4Å; F277-R281 HydrophobicContact CD1-CG 4.01Å; F277-R281 HydrophobicContact CG-CG 4.14Å; F277-R281 PolarHBondContact O-N 3.36Å; F277-V282 PolarHBondContact O-N 2.89Å; F277-D348 WeakPolarHBondContact CB-OD2 3.49Å; F277-D348 WeakPolarHBondContact CD2-OD2 3.44Å
278	H	96.9	Very high	96.9	Very high	9 Å²	9	51.1 Å²	51.1	4%	0.042	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-35.7	175.5	-76.3	-158.5	0	0	0	112.7	C274 Q275 P283 S300 D304 I307	C274-H278 PolarHBondContact O-CD2 3.04Å; Q275-H278 PolarHBondContact O-N 3.36Å; H278-P283 WeakPolarHBondContact O-CD 3.34Å; H278-S300 PolarHBondContact NE2-OG 2.69Å; H278-D304 IonicContact CE1-OD2 3.75Å; H278-D304 IonicContact ND1-OD2 2.97Å; H278-D304 PolarHBondContact ND1-OD2 3.48Å; H278-I307 HydrophobicContact CB-CD1 3.62Å; H278-I307 WeakPolarHBondContact O-CD1 3.3Å
279	R	95.4	Very high	96.8	Very high	223 Å²	223	51 Å²	51	84%	0.842	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-21.4	-176.7	-66.4	-173.7	178.8	-179.2	0.3	114.8	F277 P283	F277-R279 PolarHBondContact O-N 3.36Å; R279-P283 WeakPolarHBondContact O-CG 3.32Å
280	D	94.3	Very high	96.7	Very high	116 Å²	116	53.5 Å²	53.5	62%	0.62	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-40.8	-168.2	-60.6	-23.9	0	0	0	112.7	F277	F277-D280 PolarHBondContact O-N 3.38Å
281	R	96.9	Very high	96.5	Very high	62 Å²	62	59.5 Å²	59.5	23%	0.234	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-45.1	-173.6	-58.7	-175.5	174.8	-162.2	-12.4	112.8	F277 P283 I284 V285 D348 D349	F277-R281 HydrophobicContact CB-CB 4.09Å; F277-R281 HydrophobicContact CB-CG 4Å; F277-R281 HydrophobicContact CD1-CG 4.01Å; F277-R281 HydrophobicContact CG-CG 4.14Å; F277-R281 PolarHBondContact O-N 3.36Å; R281-P283 VanDerWaalsContact C-CD 3.48Å; R281-I284 VanDerWaalsContact O-CB 3.3Å; R281-I284 WeakPolarHBondContact O-CB 3.36Å; R281-I284 PolarHBondContact O-N 3.35Å; R281-V285 PolarHBondContact O-N 3.21Å; R281-D348 HydrophobicContact CB-CB 4.08Å; R281-D348 WeakPolarHBondContact CB-O 3.44Å; R281-D348 VanDerWaalsContact CD-CG 3.48Å; R281-D348 WeakPolarHBondContact CD-OD1 3.48Å; R281-D348 IonicContact CZ-OD1 3.16Å; R281-D348 IonicContact NE-OD1 2.8Å; R281-D348 IonicContact NH1-OD1 2.99Å; R281-D348 PolarHBondContact NH1-OD1 2.88Å; R281-D349 IonicContact CZ-OD2 2.97Å; R281-D349 IonicContact NH1-OD1 3.78Å; R281-D349 PolarHBondContact NH1-OD1 3.15Å; R281-D349 VanDerWaalsContact NH1-OD1 3.13Å; R281-D349 IonicContact NH1-OD2 3.13Å; R281-D349 PolarHBondContact NH1-OD2 2.58Å; R281-D349 IonicContact NH2-OD2 3.92Å; R281-D349 PolarHBondContact NH2-OD2 3Å
282	V	97.4	Very high	96.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.7	-37.7	179.3	-179.8	0	0	0	0	113.5	T273 F277 I284 V285 K286 Y298 I307	T273-V282 HydrophobicContact CG2-CG2 4.34Å; F277-V282 PolarHBondContact O-N 2.89Å; V282-I284 PolarHBondContact O-N 3.16Å; V282-V285 WeakPolarHBondContact O-CB 3.46Å; V282-V285 PolarHBondContact O-N 3.06Å; V282-V285 VanDerWaalsContact O-N 3.15Å; V282-K286 PolarHBondContact O-N 2.82Å; V282-Y298 HydrophobicContact CG1-CD1 4.19Å; V282-Y298 HydrophobicContact CG1-CE1 3.62Å; V282-Y298 HydrophobicContact CG1-CE2 4.46Å; V282-Y298 HydrophobicContact CG2-CD1 4.44Å; V282-Y298 HydrophobicContact CG2-CE1 4.36Å; V282-I307 HydrophobicContact CB-CD1 4.15Å; V282-I307 HydrophobicContact CG1-CD1 4.02Å; V282-I307 HydrophobicContact CG1-CG1 4.27Å; V282-I307 HydrophobicContact CG1-CG2 3.59Å
283	P	97.2	Very high	96.3	Very high	56 Å²	56	61.1 Å²	61.1	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-61.3	-30	174.8	-27.1	39	0	0	0	113.4	H278 R279 R281 K286 Q287	H278-P283 WeakPolarHBondContact O-CD 3.34Å; R279-P283 WeakPolarHBondContact O-CG 3.32Å; R281-P283 VanDerWaalsContact C-CD 3.48Å; P283-K286 WeakPolarHBondContact O-CB 3.07Å; P283-K286 PolarHBondContact O-N 3.44Å; P283-Q287 VanDerWaalsContact O-CB 3.32Å; P283-Q287 WeakPolarHBondContact O-CB 3.47Å; P283-Q287 PolarHBondContact O-N 3.4Å
284	I	97.8	Very high	96.3	Very high	28 Å²	28	63.4 Å²	63.4	14%	0.144	30%	0.296	C	S	.	.	H	α-helix	trans	-69.4	-42.8	175.3	-56.1	-57.5	0	0	0	110.6	R281 V282 K286 Q287 T288 L351 P468 V469	R281-I284 VanDerWaalsContact O-CB 3.3Å; R281-I284 WeakPolarHBondContact O-CB 3.36Å; R281-I284 PolarHBondContact O-N 3.35Å; V282-I284 PolarHBondContact O-N 3.16Å; I284-K286 VanDerWaalsContact C-N 3.3Å; I284-K286 PolarHBondContact O-N 2.9Å; I284-Q287 PolarHBondContact O-N 3.21Å; I284-T288 HydrophobicContact CG2-CG2 4.32Å; I284-T288 WeakPolarHBondContact O-CB 3.46Å; I284-T288 WeakPolarHBondContact O-CG2 3.47Å; I284-T288 PolarHBondContact O-N 2.82Å; I284-T288 PolarHBondContact O-OG1 3.03Å; I284-L351 HydrophobicContact CG2-CD2 4.18Å; I284-P468 HydrophobicContact CD1-CG 4.21Å; I284-P468 HydrophobicContact CG1-CG 4.22Å; I284-P468 HydrophobicContact CG2-CB 3.84Å; I284-P468 HydrophobicContact CG2-CG 3.88Å; I284-V469 HydrophobicContact CD1-CG2 4.07Å; I284-V469 HydrophobicContact CG2-CG2 4.4Å
285	V	97.8	Very high	96.3	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-56.7	-47	173.4	177.9	0	0	0	0	110.4	R281 V282 Q287 T288 W289 E290 Y298	R281-V285 PolarHBondContact O-N 3.21Å; V282-V285 WeakPolarHBondContact O-CB 3.46Å; V282-V285 PolarHBondContact O-N 3.06Å; V282-V285 VanDerWaalsContact O-N 3.15Å; V285-Q287 PolarHBondContact O-N 2.68Å; V285-T288 PolarHBondContact O-N 2.64Å; V285-T288 PolarHBondContact O-OG1 3Å; V285-W289 HydrophobicContact CB-CZ2 4.32Å; V285-W289 HydrophobicContact CG1-CD2 4.18Å; V285-W289 HydrophobicContact CG1-CE3 4.41Å; V285-W289 HydrophobicContact CG1-CH2 3.66Å; V285-W289 HydrophobicContact CG1-CZ2 3.4Å; V285-W289 HydrophobicContact CG1-CZ3 4.15Å; V285-W289 HydrophobicContact CG2-CZ2 4.08Å; V285-W289 PolarHBondContact O-N 3.29Å; V285-E290 HydrophobicContact CG1-CB 4.24Å; V285-E290 WeakPolarHBondContact O-CB 3.47Å; V285-E290 PolarHBondContact O-N 3.22Å; V285-E290 VanDerWaalsContact O-N 3.07Å; V285-Y298 HydrophobicContact CG1-CE1 4.24Å; V285-Y298 WeakPolarHBondContact CG1-OH 3.28Å
286	K	96.6	Very high	96.4	Very high	77 Å²	77	60.8 Å²	60.8	34%	0.335	29%	0.287	S	S	.	.	H	α-helix	trans	-58.3	-44.5	175	-81	179.4	-179.6	-54.3	0	113.6	V282 P283 I284 T288 E290	V282-K286 PolarHBondContact O-N 2.82Å; P283-K286 WeakPolarHBondContact O-CB 3.07Å; P283-K286 PolarHBondContact O-N 3.44Å; I284-K286 VanDerWaalsContact C-N 3.3Å; I284-K286 PolarHBondContact O-N 2.9Å; K286-T288 VanDerWaalsContact C-N 3.3Å; K286-T288 PolarHBondContact O-N 2.98Å; K286-E290 WeakPolarHBondContact CG-OE2 3.21Å; K286-E290 IonicContact NZ-OE1 3.82Å; K286-E290 PolarHBondContact NZ-OE1 2.93Å; K286-E290 IonicContact NZ-OE2 3.23Å; K286-E290 PolarHBondContact NZ-OE2 2.92Å
287	Q	96.5	Very high	96.5	Very high	126 Å²	126	53.4 Å²	53.4	59%	0.589	26%	0.261	S	S	*	.	H	α-helix	trans	-73	-23.3	-177.4	-173	173.4	16.9	0	0	113	P283 I284 V285 V469	P283-Q287 VanDerWaalsContact O-CB 3.32Å; P283-Q287 WeakPolarHBondContact O-CB 3.47Å; P283-Q287 PolarHBondContact O-N 3.4Å; I284-Q287 PolarHBondContact O-N 3.21Å; V285-Q287 PolarHBondContact O-N 2.68Å; Q287-V469 HydrophobicContact CG-CG2 4.3Å; Q287-V469 VanDerWaalsContact OE1-CG2 3.29Å
288	T	96.7	Very high	96.6	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-91	-173.2	56.2	0	0	0	0	111.7	I284 V285 K286 K291 V469 Y472	I284-T288 HydrophobicContact CG2-CG2 4.32Å; I284-T288 WeakPolarHBondContact O-CB 3.46Å; I284-T288 WeakPolarHBondContact O-CG2 3.47Å; I284-T288 PolarHBondContact O-N 2.82Å; I284-T288 PolarHBondContact O-OG1 3.03Å; V285-T288 PolarHBondContact O-N 2.64Å; V285-T288 PolarHBondContact O-OG1 3Å; K286-T288 VanDerWaalsContact C-N 3.3Å; K286-T288 PolarHBondContact O-N 2.98Å; T288-K291 WeakPolarHBondContact O-CE 3.27Å; T288-V469 HydrophobicContact CG2-CG2 4.21Å; T288-Y472 HydrophobicContact CG2-CD1 3.81Å; T288-Y472 HydrophobicContact CG2-CD2 4.45Å; T288-Y472 HydrophobicContact CG2-CG 3.76Å
289	W	97	Very high	96.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-12.2	-162.6	59	-100.9	0	0	0	114.9	V269 V271 V285 K291 D292 L296 V346 T350 I352 L354 Y472	V269-W289 HydrophobicContact CG1-CH2 3.99Å; V269-W289 HydrophobicContact CG1-CZ3 3.85Å; V271-W289 HydrophobicContact CG2-CH2 3.72Å; V285-W289 HydrophobicContact CB-CZ2 4.32Å; V285-W289 HydrophobicContact CG1-CD2 4.18Å; V285-W289 HydrophobicContact CG1-CE3 4.41Å; V285-W289 HydrophobicContact CG1-CH2 3.66Å; V285-W289 HydrophobicContact CG1-CZ2 3.4Å; V285-W289 HydrophobicContact CG1-CZ3 4.15Å; V285-W289 HydrophobicContact CG2-CZ2 4.08Å; V285-W289 PolarHBondContact O-N 3.29Å; W289-K291 PolarHBondContact O-N 3.31Å; W289-K291 VanDerWaalsContact O-N 3.17Å; W289-D292 PolarHBondContact O-N 3.36Å; W289-L296 HydrophobicContact CH2-CD1 4.12Å; W289-L296 HydrophobicContact CZ3-CD1 3.68Å; W289-V346 HydrophobicContact CH2-CG2 3.74Å; W289-V346 HydrophobicContact CZ2-CG2 3.97Å; W289-T350 PolarHBondContact NE1-O 3.15Å; W289-I352 WeakPolarHBondContact CB-O 3.39Å; W289-I352 HydrophobicContact CD2-CG2 3.56Å; W289-I352 HydrophobicContact CE3-CG2 3.92Å; W289-I352 HydrophobicContact CG-CG2 3.89Å; W289-I352 HydrophobicContact CH2-CG2 4.43Å; W289-I352 HydrophobicContact CZ2-CG2 4.1Å; W289-I352 HydrophobicContact CZ3-CG2 4.35Å; W289-L354 HydrophobicContact CE3-CD1 3.97Å; W289-L354 HydrophobicContact CE3-CG 4.29Å; W289-L354 HydrophobicContact CZ3-CD1 4.46Å; W289-Y472 HydrophobicContact CB-CE2 3.69Å; W289-Y472 HydrophobicContact CG-CE2 4.44Å
290	E	96.8	Very high	96.7	Very high	52 Å²	52	40.8 Å²	40.8	24%	0.243	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-52.9	-40.7	179.1	179.2	179.3	138.7	0	0	111.8	V285 K286 D292 A293 L296 Y298	V285-E290 HydrophobicContact CG1-CB 4.24Å; V285-E290 WeakPolarHBondContact O-CB 3.47Å; V285-E290 PolarHBondContact O-N 3.22Å; V285-E290 VanDerWaalsContact O-N 3.07Å; K286-E290 WeakPolarHBondContact CG-OE2 3.21Å; K286-E290 IonicContact NZ-OE1 3.82Å; K286-E290 PolarHBondContact NZ-OE1 2.93Å; K286-E290 IonicContact NZ-OE2 3.23Å; K286-E290 PolarHBondContact NZ-OE2 2.92Å; E290-D292 PolarHBondContact O-N 2.92Å; E290-A293 WeakPolarHBondContact O-CB 3.39Å; E290-A293 PolarHBondContact O-N 3.45Å; E290-L296 HydrophobicContact CG-CD1 4.4Å; E290-Y298 WeakPolarHBondContact OE2-CE2 3.41Å; E290-Y298 PolarHBondContact OE2-OH 2.8Å
291	K	94.6	Very high	96.7	Very high	127 Å²	127	37.2 Å²	37.2	55%	0.552	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-57	-20.1	-179.4	68.9	-177.9	-177.9	179.2	0	114.2	T288 W289	T288-K291 WeakPolarHBondContact O-CE 3.27Å; W289-K291 PolarHBondContact O-N 3.31Å; W289-K291 VanDerWaalsContact O-N 3.17Å
292	D	95.9	Very high	96.6	Very high	15 Å²	15	36.1 Å²	36.1	8%	0.08	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-92.9	-8.5	179.9	-77.8	-50.2	0	0	0	114.1	K264 W289 E290 L354	K264-D292 WeakPolarHBondContact CD-O 3.47Å; K264-D292 WeakPolarHBondContact CE-O 3.37Å; K264-D292 IonicContact NZ-OD1 3.5Å; K264-D292 PolarHBondContact NZ-OD1 3.45Å; W289-D292 PolarHBondContact O-N 3.36Å; E290-D292 PolarHBondContact O-N 2.92Å; D292-L354 HydrophobicContact CB-CB 4.03Å; D292-L354 HydrophobicContact CB-CD1 4.04Å
293	A	96.4	Very high	96.4	Very high	23 Å²	23	41.4 Å²	41.4	19%	0.19	23%	0.226	C	C	.	.			trans	-83.6	130.9	172.7	0	0	0	0	0	110.5	V269 E290 L296 L354	V269-A293 HydrophobicContact CG2-CB 4.03Å; E290-A293 WeakPolarHBondContact O-CB 3.39Å; E290-A293 PolarHBondContact O-N 3.45Å; A293-L296 HydrophobicContact CB-CB 4.09Å; A293-L296 HydrophobicContact CB-CD1 4.14Å; A293-L354 HydrophobicContact CB-CD1 3.71Å
294	A	96	Very high	96.2	Very high	54 Å²	54	40.7 Å²	40.7	45%	0.446	22%	0.219	S	C	.	.	S	Bend	trans	-81.8	-29.4	169	0	0	0	0	0	112.2	K264 E265	K264-A294 HydrophobicContact CB-CB 3.67Å; E265-A294 HydrophobicContact CG-CB 4.13Å
295	S	95.3	Very high	95.8	Very high	34 Å²	34	44.8 Å²	44.8	24%	0.238	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	121	-179.8	-168.7	0	0	0	0	110.1	F268 V269	F268-S295 WeakPolarHBondContact CD2-OG 3.38Å; V269-S295 PolarHBondContact N-O 2.95Å
296	L	97.4	Very high	95.4	Very high	39 Å²	39	51.8 Å²	51.8	20%	0.204	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	141.6	-176.2	-178.7	150.7	0	0	0	110.4	V269 V271 W289 E290 A293 Y298	V269-L296 HydrophobicContact CB-CB 4.13Å; V269-L296 HydrophobicContact CB-CD1 3.89Å; V269-L296 HydrophobicContact CB-CG 4Å; V269-L296 HydrophobicContact CG1-CD1 3.8Å; V269-L296 HydrophobicContact CG1-CG 4.23Å; V269-L296 CarbonylContact O-C 3.51Å; V269-L296 VanDerWaalsContact O-CA 3.23Å; V269-L296 WeakPolarHBondContact O-CA 3.4Å; V271-L296 HydrophobicContact CG2-CD1 3.8Å; V271-L296 HydrophobicContact CG2-CD2 4.08Å; V271-L296 HydrophobicContact CG2-CG 4.01Å; W289-L296 HydrophobicContact CH2-CD1 4.12Å; W289-L296 HydrophobicContact CZ3-CD1 3.68Å; E290-L296 HydrophobicContact CG-CD1 4.4Å; A293-L296 HydrophobicContact CB-CB 4.09Å; A293-L296 HydrophobicContact CB-CD1 4.14Å; L296-Y298 HydrophobicContact CD2-CD2 3.63Å; L296-Y298 HydrophobicContact CD2-CE1 4.39Å; L296-Y298 HydrophobicContact CD2-CE2 3.42Å; L296-Y298 VanDerWaalsContact CD2-CE2 3.42Å; L296-Y298 HydrophobicContact CD2-CG 4.2Å
297	E	98.1	Very high	95.1	Very high	37 Å²	37	48.9 Å²	48.9	17%	0.173	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	139.3	167.1	-70	-173.5	166.2	0	0	111.2	F268 V269 V271 Y299 V310 R331 V337	F268-E297 HydrophobicContact CE2-CB 4.48Å; F268-E297 HydrophobicContact CE2-CG 4.07Å; F268-E297 HydrophobicContact CZ-CB 4.02Å; F268-E297 HydrophobicContact CZ-CG 3.92Å; V269-E297 PolarHBondContact O-N 3.12Å; V271-E297 PolarHBondContact N-O 3.22Å; E297-Y299 HydrophobicContact CB-CD2 4.48Å; E297-Y299 HydrophobicContact CB-CE1 4.41Å; E297-Y299 HydrophobicContact CB-CE2 3.84Å; E297-Y299 PolarHBondContact OE2-OH 3.23Å; E297-V310 HydrophobicContact CB-CG2 4.22Å; E297-V310 HydrophobicContact CG-CG2 4.2Å; E297-R331 IonicContact OE1-CZ 3.67Å; E297-R331 IonicContact OE1-NE 3.75Å; E297-R331 IonicContact OE1-NH2 2.75Å; E297-R331 PolarHBondContact OE1-NH2 3.12Å; E297-R331 IonicContact OE2-CZ 3.4Å; E297-R331 IonicContact OE2-NE 2.74Å; E297-R331 PolarHBondContact OE2-NE 2.91Å; E297-R331 IonicContact OE2-NH2 3.21Å; E297-R331 PolarHBondContact OE2-NH2 3.47Å; E297-V337 WeakPolarHBondContact OE1-CG1 3.49Å
298	Y	98.3	Very high	94.8	Very high	4 Å²	4	47 Å²	47	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	116.1	171.2	-73.6	-78.1	0	0	0	109.7	V271 V282 V285 E290 L296 I307 T309 V310	V271-Y298 HydrophobicContact CB-CD1 3.68Å; V271-Y298 HydrophobicContact CB-CE1 3.91Å; V271-Y298 HydrophobicContact CG1-CD1 3.82Å; V271-Y298 HydrophobicContact CG1-CE1 3.82Å; V271-Y298 HydrophobicContact CG2-CD1 4.23Å; V271-Y298 HydrophobicContact CG2-CE1 4.06Å; V282-Y298 HydrophobicContact CG1-CD1 4.19Å; V282-Y298 HydrophobicContact CG1-CE1 3.62Å; V282-Y298 HydrophobicContact CG1-CE2 4.46Å; V282-Y298 HydrophobicContact CG2-CD1 4.44Å; V282-Y298 HydrophobicContact CG2-CE1 4.36Å; V285-Y298 HydrophobicContact CG1-CE1 4.24Å; V285-Y298 WeakPolarHBondContact CG1-OH 3.28Å; E290-Y298 WeakPolarHBondContact OE2-CE2 3.41Å; E290-Y298 PolarHBondContact OE2-OH 2.8Å; L296-Y298 HydrophobicContact CD2-CD2 3.63Å; L296-Y298 HydrophobicContact CD2-CE1 4.39Å; L296-Y298 HydrophobicContact CD2-CE2 3.42Å; L296-Y298 VanDerWaalsContact CD2-CE2 3.42Å; L296-Y298 HydrophobicContact CD2-CG 4.2Å; Y298-I307 HydrophobicContact CD2-CG2 4.07Å; Y298-I307 HydrophobicContact CE2-CG2 4.44Å; Y298-I307 HydrophobicContact CG-CG2 4.15Å; Y298-T309 CarbonylContact O-C 3.6Å; Y298-T309 VanDerWaalsContact O-CA 3.24Å; Y298-T309 WeakPolarHBondContact O-CA 3.35Å; Y298-V310 PolarHBondContact O-N 3.27Å
299	Y	97.6	Very high	94.7	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	109.9	-179.7	-65.8	-75.8	0	0	0	110.8	A270 V271 T273 E297 V310 L312 I328 R331	A270-Y299 HydrophobicContact CB-CD2 3.88Å; A270-Y299 HydrophobicContact CB-CE2 3.48Å; A270-Y299 VanDerWaalsContact CB-CE2 3.48Å; V271-Y299 PolarHBondContact O-N 3.02Å; T273-Y299 PolarHBondContact N-O 3.48Å; T273-Y299 VanDerWaalsContact O-O 3.05Å; E297-Y299 HydrophobicContact CB-CD2 4.48Å; E297-Y299 HydrophobicContact CB-CE1 4.41Å; E297-Y299 HydrophobicContact CB-CE2 3.84Å; E297-Y299 PolarHBondContact OE2-OH 3.23Å; Y299-V310 WeakPolarHBondContact CA-O 3.37Å; Y299-V310 HydrophobicContact CD1-CB 4.02Å; Y299-V310 HydrophobicContact CD1-CG1 4.19Å; Y299-V310 HydrophobicContact CE1-CB 4.11Å; Y299-V310 HydrophobicContact CE1-CG1 4.02Å; Y299-L312 HydrophobicContact CD1-CD1 3.52Å; Y299-L312 HydrophobicContact CD1-CD2 4.25Å; Y299-L312 HydrophobicContact CD1-CG 3.76Å; Y299-L312 HydrophobicContact CE1-CD1 3.65Å; Y299-L312 HydrophobicContact CE1-CD2 4.01Å; Y299-L312 HydrophobicContact CE1-CG 3.99Å; Y299-L312 HydrophobicContact CG-CD1 4.45Å; Y299-I328 HydrophobicContact CD1-CG1 3.97Å; Y299-I328 HydrophobicContact CD2-CD1 3.61Å; Y299-I328 HydrophobicContact CD2-CG1 3.65Å; Y299-I328 HydrophobicContact CE1-CG1 4.14Å; Y299-I328 HydrophobicContact CE2-CD1 4.2Å; Y299-I328 HydrophobicContact CE2-CG1 3.84Å; Y299-I328 HydrophobicContact CE2-CG2 4.11Å; Y299-I328 HydrophobicContact CG-CD1 3.77Å; Y299-I328 HydrophobicContact CG-CG1 3.68Å; Y299-R331 WeakPolarHBondContact OH-CD 3.47Å
300	S	96.8	Very high	94.7	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.021	28%	0.284	C	S	.	.			trans	-127.7	164.8	-174.4	-169.6	0	0	0	0	111.3	C274 Q275 H278 V302 V310 H311	C274-S300 WeakPolarHBondContact CA-OG 3.49Å; Q275-S300 PolarHBondContact N-OG 3.06Å; H278-S300 PolarHBondContact NE2-OG 2.69Å; S300-V302 WeakPolarHBondContact CB-O 3.31Å; S300-V310 PolarHBondContact N-O 3.36Å; S300-H311 WeakPolarHBondContact O-CA 3.38Å; S300-H311 PolarHBondContact O-CD2 3.17Å
301	D	94	Very high	94.6	Very high	41 Å²	41	50.1 Å²	50.1	22%	0.219	29%	0.29	C	S	.	.	S	Bend	trans	-76.5	-10	172.9	59.2	-40.8	0	0	0	113.2	C274 Q275 H311 N316	C274-D301 WeakPolarHBondContact CA-OD1 3.44Å; C274-D301 VanDerWaalsContact CB-OD1 3.27Å; C274-D301 WeakPolarHBondContact CB-OD1 3.2Å; Q275-D301 PolarHBondContact N-OD1 3.04Å; D301-H311 VanDerWaalsContact C-CD2 3.49Å; D301-H311 PolarHBondContact O-CD2 3.44Å; D301-H311 PolarHBondContact O-NE2 3Å; D301-N316 HydrophobicContact CB-CB 3.74Å; D301-N316 WeakPolarHBondContact OD2-CB 3.06Å
302	V	93.9	Very high	94.5	Very high	40 Å²	40	46.6 Å²	46.6	24%	0.242	28%	0.277	C	S	.	.	S	Bend	trans	-132.7	151.4	173.2	-57.6	0	0	0	0	111.1	Q275 S300 T309	Q275-V302 HydrophobicContact CB-CG1 4.25Å; Q275-V302 HydrophobicContact CB-CG2 3.7Å; Q275-V302 HydrophobicContact CG-CG1 4.49Å; Q275-V302 HydrophobicContact CG-CG2 3.81Å; S300-V302 WeakPolarHBondContact CB-O 3.31Å; V302-T309 PolarHBondContact O-OG1 3.44Å
303	T	94.1	Very high	94.4	Very high	110 Å²	110	48.6 Å²	48.6	68%	0.675	30%	0.301	S	S	*	.			trans	-82	125.8	166.9	-53.6	0	0	0	0	109.4	T309	T303-T309 WeakPolarHBondContact CA-OG1 3.46Å
304	D	91.9	Very high	94.1	Very high	41 Å²	41	48.5 Å²	48.5	22%	0.219	30%	0.298	C	S	.	.			trans	-124.3	134	175.7	-171.2	-25.9	0	0	0	107.3	H278 I306 I307 P308 T309	H278-D304 IonicContact CE1-OD2 3.75Å; H278-D304 IonicContact ND1-OD2 2.97Å; H278-D304 PolarHBondContact ND1-OD2 3.48Å; D304-I306 WeakPolarHBondContact OD1-CB 3.27Å; D304-I306 PolarHBondContact OD1-N 3.43Å; D304-I307 CarbonylContact C-O 3.48Å; D304-I307 WeakPolarHBondContact CB-O 3.32Å; D304-I307 CarbonylContact O-C 3.5Å; D304-I307 PolarHBondContact OD1-N 3.35Å; D304-P308 VanDerWaalsContact O-CA 3.29Å; D304-P308 WeakPolarHBondContact O-CA 3.43Å; D304-T309 HydrophobicContact CB-CG2 4.35Å; D304-T309 PolarHBondContact N-OG1 3.5Å; D304-T309 PolarHBondContact O-N 3.31Å; D304-T309 VanDerWaalsContact O-N 3.16Å
305	S	90.6	Very high	93.8	Very high	115 Å²	115	50 Å²	50	80%	0.804	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-20	-179.8	55.4	0	0	0	0	112.3
306	I	89.8	Confident	93.5	Very high	147 Å²	147	51.2 Å²	51.2	75%	0.754	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-42.8	178	-58.4	175.4	0	0	0	109.2	D304	D304-I306 WeakPolarHBondContact OD1-CB 3.27Å; D304-I306 PolarHBondContact OD1-N 3.43Å
307	I	89.6	Confident	93.3	Very high	16 Å²	16	50.4 Å²	50.4	8%	0.082	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	99.1	168.2	-59.8	164.2	0	0	0	103.9	H278 V282 Y298 D304 T309	H278-I307 HydrophobicContact CB-CD1 3.62Å; H278-I307 WeakPolarHBondContact O-CD1 3.3Å; V282-I307 HydrophobicContact CB-CD1 4.15Å; V282-I307 HydrophobicContact CG1-CD1 4.02Å; V282-I307 HydrophobicContact CG1-CG1 4.27Å; V282-I307 HydrophobicContact CG1-CG2 3.59Å; Y298-I307 HydrophobicContact CD2-CG2 4.07Å; Y298-I307 HydrophobicContact CE2-CG2 4.44Å; Y298-I307 HydrophobicContact CG-CG2 4.15Å; D304-I307 CarbonylContact C-O 3.48Å; D304-I307 WeakPolarHBondContact CB-O 3.32Å; D304-I307 CarbonylContact O-C 3.5Å; D304-I307 PolarHBondContact OD1-N 3.35Å; I307-T309 HydrophobicContact CB-CG2 4.28Å; I307-T309 HydrophobicContact CG2-CG2 3.78Å; I307-T309 WeakPolarHBondContact O-CG2 3.3Å; I307-T309 PolarHBondContact O-N 3.11Å
308	P	90	Very high	92.6	Very high	85 Å²	85	57.8 Å²	57.8	55%	0.552	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	81.8	-169.4	25.9	-35.3	0	0	0	111.5	D304	D304-P308 VanDerWaalsContact O-CA 3.29Å; D304-P308 WeakPolarHBondContact O-CA 3.43Å
309	T	95.5	Very high	92	Very high	7 Å²	7	67.8 Å²	67.8	4%	0.043	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	145.3	-174.7	61.3	0	0	0	0	110.5	Y298 V302 T303 D304 I307	Y298-T309 CarbonylContact O-C 3.6Å; Y298-T309 VanDerWaalsContact O-CA 3.24Å; Y298-T309 WeakPolarHBondContact O-CA 3.35Å; V302-T309 PolarHBondContact O-OG1 3.44Å; T303-T309 WeakPolarHBondContact CA-OG1 3.46Å; D304-T309 HydrophobicContact CB-CG2 4.35Å; D304-T309 PolarHBondContact N-OG1 3.5Å; D304-T309 PolarHBondContact O-N 3.31Å; D304-T309 VanDerWaalsContact O-N 3.16Å; I307-T309 HydrophobicContact CB-CG2 4.28Å; I307-T309 HydrophobicContact CG2-CG2 3.78Å; I307-T309 WeakPolarHBondContact O-CG2 3.3Å; I307-T309 PolarHBondContact O-N 3.11Å
310	V	95.6	Very high	91.7	Very high	32 Å²	32	67.9 Å²	67.9	19%	0.194	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.3	176.9	-179.5	0	0	0	0	108.3	E297 Y298 Y299 S300 L312	E297-V310 HydrophobicContact CB-CG2 4.22Å; E297-V310 HydrophobicContact CG-CG2 4.2Å; Y298-V310 PolarHBondContact O-N 3.27Å; Y299-V310 WeakPolarHBondContact CA-O 3.37Å; Y299-V310 HydrophobicContact CD1-CB 4.02Å; Y299-V310 HydrophobicContact CD1-CG1 4.19Å; Y299-V310 HydrophobicContact CE1-CB 4.11Å; Y299-V310 HydrophobicContact CE1-CG1 4.02Å; S300-V310 PolarHBondContact N-O 3.36Å; V310-L312 HydrophobicContact CG1-CD2 3.71Å; V310-L312 HydrophobicContact CG1-CG 4.36Å
311	H	94.8	Very high	91.7	Very high	81 Å²	81	69.9 Å²	69.9	38%	0.375	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-94.3	116.9	171.3	177.3	-118.7	0	0	0	109.7	S300 D301 G313	S300-H311 WeakPolarHBondContact O-CA 3.38Å; S300-H311 PolarHBondContact O-CD2 3.17Å; D301-H311 VanDerWaalsContact C-CD2 3.49Å; D301-H311 PolarHBondContact O-CD2 3.44Å; D301-H311 PolarHBondContact O-NE2 3Å; H311-G313 VanDerWaalsContact C-N 3.31Å; H311-G313 VanDerWaalsContact CE1-CA 3.46Å; H311-G313 WeakPolarHBondContact CE1-CA 3.45Å; H311-G313 PolarHBondContact O-N 3.41Å
312	L	93.7	Very high	91.8	Very high	52 Å²	52	68 Å²	68	27%	0.272	38%	0.376	S	S	.	.			trans	-90.3	14.2	-177.8	-62.3	-179.3	0	0	0	113.9	Y299 V310 V314 A327 I328	Y299-L312 HydrophobicContact CD1-CD1 3.52Å; Y299-L312 HydrophobicContact CD1-CD2 4.25Å; Y299-L312 HydrophobicContact CD1-CG 3.76Å; Y299-L312 HydrophobicContact CE1-CD1 3.65Å; Y299-L312 HydrophobicContact CE1-CD2 4.01Å; Y299-L312 HydrophobicContact CE1-CG 3.99Å; Y299-L312 HydrophobicContact CG-CD1 4.45Å; V310-L312 HydrophobicContact CG1-CD2 3.71Å; V310-L312 HydrophobicContact CG1-CG 4.36Å; L312-V314 PolarHBondContact O-N 2.79Å; L312-A327 HydrophobicContact CB-CB 4.05Å; L312-A327 HydrophobicContact CD1-CB 3.6Å; L312-A327 HydrophobicContact CG-CB 4.47Å; L312-I328 HydrophobicContact CD1-CG1 3.96Å
313	G	92.3	Very high	91.9	Very high	58 Å²	58	68.8 Å²	68.8	60%	0.598	38%	0.378	S	S	*	.	S	Bend	trans	74.3	14.9	-174.7	0	0	0	0	0	113.7	H311	H311-G313 VanDerWaalsContact C-N 3.31Å; H311-G313 VanDerWaalsContact CE1-CA 3.46Å; H311-G313 WeakPolarHBondContact CE1-CA 3.45Å; H311-G313 PolarHBondContact O-N 3.41Å
314	V	91.1	Very high	92.1	Very high	20 Å²	20	64 Å²	64	12%	0.121	35%	0.348	C	S	.	.			trans	-109.9	121.6	179.5	-177.2	0	0	0	0	108.8	L312 E323 K324 A327	L312-V314 PolarHBondContact O-N 2.79Å; V314-E323 HydrophobicContact CG1-CB 3.9Å; V314-E323 HydrophobicContact CG1-CG 4.21Å; V314-E323 HydrophobicContact CG2-CG 4.27Å; V314-K324 HydrophobicContact CG1-CB 4.23Å; V314-A327 HydrophobicContact CG2-CB 4.03Å
315	P	88.9	Confident	92.4	Very high	86 Å²	86	62 Å²	62	56%	0.558	34%	0.337	S	S	*	.			trans	-68.4	159.6	179.1	29.6	-35	0	0	0	111.7
316	N	90.5	Very high	92.7	Very high	60 Å²	60	56.6 Å²	56.6	32%	0.321	30%	0.299	S	S	.	.			trans	-69.5	149.8	171.2	-167.9	56.2	0	0	0	111.8	C274 D301	C274-N316 HydrophobicContact CB-CB 4.3Å; C274-N316 WeakPolarHBondContact CB-OD1 3.48Å; D301-N316 HydrophobicContact CB-CB 3.74Å; D301-N316 WeakPolarHBondContact OD2-CB 3.06Å
317	T	91.8	Very high	93.1	Very high	22 Å²	22	50.3 Å²	50.3	14%	0.135	27%	0.269	C	S	.	.			trans	-132.9	155.5	179.4	46.6	0	0	0	0	108.8	G320 H321 D415	T317-G320 WeakPolarHBondContact CB-O 3.23Å; T317-G320 PolarHBondContact OG1-O 3.07Å; T317-H321 PolarHBondContact O-CE1 3.43Å; T317-H321 PolarHBondContact OG1-ND1 2.65Å; T317-H321 VanDerWaalsContact OG1-ND1 3.1Å; T317-D415 HydrophobicContact CG2-CB 3.8Å
318	E	84.6	Confident	93.5	Very high	191 Å²	191	49.5 Å²	49.5	89%	0.893	27%	0.265	S	S	*	.	S	Bend	trans	-97.7	-26	-177.1	-65.7	-171.6	162.6	0	0	114.2
319	R	85.6	Confident	93.9	Very high	214 Å²	214	45.5 Å²	45.5	81%	0.808	24%	0.238	S	C	*	.	S	Bend	trans	-95.9	-35.2	-170.7	-68.1	-178.6	177.3	-176.7	-1.4	114.6
320	G	91.3	Very high	94.1	Very high	5 Å²	5	50.9 Å²	50.9	5%	0.052	26%	0.258	C	S	.	.			trans	-169.4	166.1	-175.6	0	0	0	0	0	110	T317 D415 A416	T317-G320 WeakPolarHBondContact CB-O 3.23Å; T317-G320 PolarHBondContact OG1-O 3.07Å; G320-D415 CarbonylContact C-O 3.02Å; G320-D415 WeakPolarHBondContact CA-O 3.32Å; G320-D415 PolarHBondContact N-O 2.72Å; G320-D415 VanDerWaalsContact N-O 3.07Å; G320-D415 WeakPolarHBondContact O-CA 3.4Å; G320-A416 CarbonylContact C-O 3.4Å; G320-A416 WeakPolarHBondContact CA-O 3.39Å
321	H	95.5	Very high	94.1	Very high	45 Å²	45	52.8 Å²	52.8	21%	0.208	26%	0.262	C	S	.	.			trans	-127.3	29.6	-166.8	-62.7	-55.7	0	0	0	113.4	K272 T317 E323 K324 T325 A416	K272-H321 HydrophobicContact CD-CB 4.47Å; T317-H321 PolarHBondContact O-CE1 3.43Å; T317-H321 PolarHBondContact OG1-ND1 2.65Å; T317-H321 VanDerWaalsContact OG1-ND1 3.1Å; H321-E323 PolarHBondContact O-N 2.86Å; H321-K324 HydrophobicContact CB-CB 4.43Å; H321-K324 WeakPolarHBondContact O-CB 3.4Å; H321-K324 PolarHBondContact O-N 2.97Å; H321-K324 VanDerWaalsContact O-N 3.13Å; H321-T325 PolarHBondContact O-N 2.93Å; H321-T325 PolarHBondContact O-OG1 3.23Å; H321-A416 PolarHBondContact N-O 3.27Å
322	C	96.9	Very high	94.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-51.5	-52.3	-172.7	-171.3	0	0	0	0	113.4	K324 T325 F326 C411 S414 A416 D418	C322-K324 VanDerWaalsContact C-N 3.29Å; C322-K324 PolarHBondContact O-N 2.99Å; C322-T325 PolarHBondContact O-N 2.87Å; C322-T325 VanDerWaalsContact O-N 3.17Å; C322-F326 WeakPolarHBondContact O-CD2 3.41Å; C322-F326 PolarHBondContact O-N 2.59Å; C322-C411 HydrophobicContact CB-CB 3.81Å; C322-C411 WeakPolarHBondContact CB-SG 3.35Å; C322-C411 PolarHBondContact O-SG 2.92Å; C322-C411 VanDerWaalsContact O-SG 3.37Å; C322-C411 WeakPolarHBondContact SG-CA 3.44Å; C322-C411 WeakPolarHBondContact SG-CB 3.11Å; C322-C411 CovalentContact SG-SG 2.03Å; C322-C411 PolarHBondContact SG-SG 2.78Å; C322-S414 PolarHBondContact N-O 2.85Å; C322-A416 HydrophobicContact CB-CB 4.01Å; C322-A416 VanDerWaalsContact CB-O 3.32Å; C322-A416 WeakPolarHBondContact CB-O 3.25Å; C322-A416 PolarHBondContact N-O 3.21Å; C322-D418 HydrophobicContact CB-CB 4.41Å
323	E	97	Very high	94.5	Very high	57 Å²	57	47.5 Å²	47.5	27%	0.266	24%	0.24	S	C	.	.	H	α-helix	trans	-66.4	-34.3	-175.3	-157.3	63.7	-153.2	0	0	111.8	V314 H321 A327 R330 C411 S414	V314-E323 HydrophobicContact CG1-CB 3.9Å; V314-E323 HydrophobicContact CG1-CG 4.21Å; V314-E323 HydrophobicContact CG2-CG 4.27Å; H321-E323 PolarHBondContact O-N 2.86Å; E323-A327 WeakPolarHBondContact O-CB 3.42Å; E323-A327 PolarHBondContact O-N 3.24Å; E323-R330 IonicContact OE1-NH1 3.66Å; E323-C411 PolarHBondContact N-SG 3.39Å; E323-C411 WeakPolarHBondContact OE2-CB 3.4Å; E323-S414 PolarHBondContact N-O 2.77Å
324	K	97.3	Very high	94.8	Very high	10 Å²	10	48.6 Å²	48.6	4%	0.043	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-45.8	175.3	-174.3	-176.4	-67.9	177.8	0	109.9	K272 T273 V314 H321 C322 A327 I328	K272-K324 HydrophobicContact CG-CD 4.37Å; T273-K324 PolarHBondContact O-NZ 2.78Å; V314-K324 HydrophobicContact CG1-CB 4.23Å; H321-K324 HydrophobicContact CB-CB 4.43Å; H321-K324 WeakPolarHBondContact O-CB 3.4Å; H321-K324 PolarHBondContact O-N 2.97Å; H321-K324 VanDerWaalsContact O-N 3.13Å; C322-K324 VanDerWaalsContact C-N 3.29Å; C322-K324 PolarHBondContact O-N 2.99Å; K324-A327 PolarHBondContact O-N 2.94Å; K324-I328 HydrophobicContact CG-CD1 4.37Å; K324-I328 WeakPolarHBondContact O-CG1 3.34Å; K324-I328 PolarHBondContact O-N 2.7Å
325	T	97.9	Very high	94.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-45.8	177.7	-62	0	0	0	0	111.5	H321 C322 A327 I328 L329 I345 D418 L422	H321-T325 PolarHBondContact O-N 2.93Å; H321-T325 PolarHBondContact O-OG1 3.23Å; C322-T325 PolarHBondContact O-N 2.87Å; C322-T325 VanDerWaalsContact O-N 3.17Å; T325-A327 VanDerWaalsContact C-N 3.33Å; T325-A327 PolarHBondContact O-N 2.97Å; T325-I328 WeakPolarHBondContact O-CB 3.24Å; T325-I328 PolarHBondContact O-N 2.92Å; T325-I328 VanDerWaalsContact O-N 3.16Å; T325-L329 WeakPolarHBondContact O-CG 3.25Å; T325-L329 PolarHBondContact O-N 3.17Å; T325-I345 HydrophobicContact CG2-CD1 4.07Å; T325-D418 HydrophobicContact CG2-CB 4.22Å; T325-D418 PolarHBondContact OG1-OD2 3.3Å; T325-L422 HydrophobicContact CG2-CD1 3.86Å
326	F	98.1	Very high	95	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-64.9	-34	175.4	-89.4	-95.5	0	0	0	113.1	C322 L329 R330 I404 L405 C409 C411 V421 L422	C322-F326 WeakPolarHBondContact O-CD2 3.41Å; C322-F326 PolarHBondContact O-N 2.59Å; F326-L329 HydrophobicContact CD1-CD1 4.48Å; F326-L329 PolarHBondContact O-N 3.38Å; F326-R330 WeakPolarHBondContact O-CG 3.43Å; F326-R330 PolarHBondContact O-N 3.05Å; F326-I404 HydrophobicContact CE1-CG2 4.1Å; F326-I404 HydrophobicContact CZ-CG2 4.37Å; F326-L405 HydrophobicContact CD1-CD2 4.29Å; F326-C409 HydrophobicContact CE1-CB 3.92Å; F326-C409 WeakPolarHBondContact CE1-O 3.45Å; F326-C409 HydrophobicContact CZ-CB 3.92Å; F326-C411 WeakPolarHBondContact CD2-SG 3.3Å; F326-V421 HydrophobicContact CE2-CG1 4.03Å; F326-V421 HydrophobicContact CZ-CG1 4.49Å; F326-L422 HydrophobicContact CE2-CD2 3.98Å; F326-L422 HydrophobicContact CZ-CD2 4Å
327	A	97.7	Very high	95.2	Very high	14 Å²	14	46.8 Å²	46.8	12%	0.116	24%	0.239	C	C	.	.	H	α-helix	trans	-64.3	-40.1	172.7	0	0	0	0	0	111.9	L312 V314 E323 K324 T325 R330 R331	L312-A327 HydrophobicContact CB-CB 4.05Å; L312-A327 HydrophobicContact CD1-CB 3.6Å; L312-A327 HydrophobicContact CG-CB 4.47Å; V314-A327 HydrophobicContact CG2-CB 4.03Å; E323-A327 WeakPolarHBondContact O-CB 3.42Å; E323-A327 PolarHBondContact O-N 3.24Å; K324-A327 PolarHBondContact O-N 2.94Å; T325-A327 VanDerWaalsContact C-N 3.33Å; T325-A327 PolarHBondContact O-N 2.97Å; A327-R330 PolarHBondContact O-N 3.25Å; A327-R331 WeakPolarHBondContact O-CB 3.49Å; A327-R331 PolarHBondContact O-N 3.48Å
328	I	98.3	Very high	95.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-46.7	172.6	-67.8	165.7	0	0	0	110.6	A270 K272 Y299 L312 K324 T325 R330 R331 F332 L343 I345	A270-I328 HydrophobicContact CB-CD1 4.48Å; A270-I328 HydrophobicContact CB-CG2 3.55Å; K272-I328 HydrophobicContact CD-CD1 4.48Å; K272-I328 HydrophobicContact CG-CD1 3.84Å; Y299-I328 HydrophobicContact CD1-CG1 3.97Å; Y299-I328 HydrophobicContact CD2-CD1 3.61Å; Y299-I328 HydrophobicContact CD2-CG1 3.65Å; Y299-I328 HydrophobicContact CE1-CG1 4.14Å; Y299-I328 HydrophobicContact CE2-CD1 4.2Å; Y299-I328 HydrophobicContact CE2-CG1 3.84Å; Y299-I328 HydrophobicContact CE2-CG2 4.11Å; Y299-I328 HydrophobicContact CG-CD1 3.77Å; Y299-I328 HydrophobicContact CG-CG1 3.68Å; L312-I328 HydrophobicContact CD1-CG1 3.96Å; K324-I328 HydrophobicContact CG-CD1 4.37Å; K324-I328 WeakPolarHBondContact O-CG1 3.34Å; K324-I328 PolarHBondContact O-N 2.7Å; T325-I328 WeakPolarHBondContact O-CB 3.24Å; T325-I328 PolarHBondContact O-N 2.92Å; T325-I328 VanDerWaalsContact O-N 3.16Å; I328-R330 PolarHBondContact O-N 3.02Å; I328-R331 PolarHBondContact O-N 3.31Å; I328-F332 WeakPolarHBondContact O-CB 3.35Å; I328-F332 PolarHBondContact O-N 3.25Å; I328-L343 HydrophobicContact CG2-CD1 4.49Å; I328-I345 HydrophobicContact CG2-CD1 4.29Å; I328-I345 HydrophobicContact CG2-CG1 4.49Å
329	L	98.4	Very high	96	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.5	-47.7	177.5	-66.6	-176.5	0	0	0	111.7	T325 F326 R331 F332 A333 L343 I345 V401 I404 L405 L422	T325-L329 WeakPolarHBondContact O-CG 3.25Å; T325-L329 PolarHBondContact O-N 3.17Å; F326-L329 HydrophobicContact CD1-CD1 4.48Å; F326-L329 PolarHBondContact O-N 3.38Å; L329-R331 PolarHBondContact O-N 2.86Å; L329-F332 PolarHBondContact O-N 3Å; L329-A333 VanDerWaalsContact O-CB 3.26Å; L329-A333 WeakPolarHBondContact O-CB 3.33Å; L329-A333 PolarHBondContact O-N 3.36Å; L329-L343 HydrophobicContact CD2-CD2 3.62Å; L329-I345 HydrophobicContact CD2-CD1 3.95Å; L329-V401 HydrophobicContact CB-CG1 3.89Å; L329-V401 HydrophobicContact CD2-CG1 3.89Å; L329-V401 HydrophobicContact CD2-CG2 3.96Å; L329-V401 HydrophobicContact CG-CG1 4.39Å; L329-I404 HydrophobicContact CD1-CG2 4.03Å; L329-L405 HydrophobicContact CB-CD1 4.48Å; L329-L405 HydrophobicContact CB-CD2 4.19Å; L329-L422 HydrophobicContact CD1-CD2 3.85Å
330	R	97.9	Very high	96.6	Very high	120 Å²	120	34.6 Å²	34.6	45%	0.453	19%	0.192	S	C	.	.	H	α-helix	trans	-60.9	-44.2	177.6	-69.5	174	-164.9	133.2	2.1	111.6	E323 F326 A327 I328 A333 S334 L405	E323-R330 IonicContact OE1-NH1 3.66Å; F326-R330 WeakPolarHBondContact O-CG 3.43Å; F326-R330 PolarHBondContact O-N 3.05Å; A327-R330 PolarHBondContact O-N 3.25Å; I328-R330 PolarHBondContact O-N 3.02Å; R330-A333 PolarHBondContact O-N 2.7Å; R330-S334 WeakPolarHBondContact O-CB 3.36Å; R330-S334 PolarHBondContact O-N 3.14Å; R330-L405 HydrophobicContact CG-CD1 4.29Å; R330-L405 HydrophobicContact CG-CD2 3.75Å
331	R	97.6	Very high	96.9	Very high	72 Å²	72	35.9 Å²	35.9	27%	0.272	20%	0.2	S	C	.	.	H	α-helix	trans	-62.3	-47.1	178.4	-179.7	167.7	175.8	76.2	2.1	112	E297 Y299 A327 I328 L329 S334 V337	E297-R331 IonicContact OE1-CZ 3.67Å; E297-R331 IonicContact OE1-NE 3.75Å; E297-R331 IonicContact OE1-NH2 2.75Å; E297-R331 PolarHBondContact OE1-NH2 3.12Å; E297-R331 IonicContact OE2-CZ 3.4Å; E297-R331 IonicContact OE2-NE 2.74Å; E297-R331 PolarHBondContact OE2-NE 2.91Å; E297-R331 IonicContact OE2-NH2 3.21Å; E297-R331 PolarHBondContact OE2-NH2 3.47Å; Y299-R331 WeakPolarHBondContact OH-CD 3.47Å; A327-R331 WeakPolarHBondContact O-CB 3.49Å; A327-R331 PolarHBondContact O-N 3.48Å; I328-R331 PolarHBondContact O-N 3.31Å; L329-R331 PolarHBondContact O-N 2.86Å; R331-S334 PolarHBondContact O-OG 3.36Å; R331-V337 HydrophobicContact CG-CG1 3.6Å; R331-V337 HydrophobicContact CG-CG2 4.34Å
332	F	98.4	Very high	97.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-48.9	175.1	175.9	-107.1	0	0	0	111.8	F268 I328 L329 S334 G335 T338 A340 L343 R398 V401	F268-F332 HydrophobicContact CB-CD2 4.13Å; F268-F332 HydrophobicContact CB-CE2 3.9Å; F268-F332 AromaticContact CD1-CD2 3.7Å; F268-F332 HydrophobicContact CD1-CD2 3.7Å; F268-F332 HydrophobicContact CD1-CE2 4.32Å; F268-F332 HydrophobicContact CG-CD2 4.19Å; F268-F332 HydrophobicContact CG-CE2 4.46Å; I328-F332 WeakPolarHBondContact O-CB 3.35Å; I328-F332 PolarHBondContact O-N 3.25Å; L329-F332 PolarHBondContact O-N 3Å; F332-S334 VanDerWaalsContact C-N 3.3Å; F332-S334 PolarHBondContact O-N 2.97Å; F332-G335 PolarHBondContact O-N 3.02Å; F332-G335 VanDerWaalsContact O-N 3.15Å; F332-T338 HydrophobicContact CD2-CG2 3.87Å; F332-T338 HydrophobicContact CE2-CG2 3.83Å; F332-A340 WeakPolarHBondContact CZ-O 3.27Å; F332-L343 HydrophobicContact CB-CD1 4.36Å; F332-L343 HydrophobicContact CB-CD2 4.22Å; F332-L343 HydrophobicContact CD1-CB 3.86Å; F332-L343 HydrophobicContact CD1-CD2 3.91Å; F332-L343 HydrophobicContact CD1-CG 4.36Å; F332-L343 HydrophobicContact CD2-CB 4.19Å; F332-L343 HydrophobicContact CD2-CD1 4.14Å; F332-L343 HydrophobicContact CE1-CB 3.62Å; F332-L343 HydrophobicContact CE1-CD2 4.46Å; F332-L343 HydrophobicContact CE2-CB 3.99Å; F332-L343 HydrophobicContact CG-CB 4.13Å; F332-L343 HydrophobicContact CG-CD1 4.13Å; F332-L343 HydrophobicContact CG-CD2 4.07Å; F332-L343 HydrophobicContact CG-CG 4.35Å; F332-L343 HydrophobicContact CZ-CB 3.7Å; F332-R398 HydrophobicContact CE1-CB 3.96Å; F332-R398 HydrophobicContact CE1-CG 4.19Å; F332-R398 HydrophobicContact CZ-CB 4.2Å; F332-R398 PolarHBondContact O-NH1 2.87Å; F332-V401 HydrophobicContact CD1-CB 4.24Å; F332-V401 HydrophobicContact CD1-CG1 4.19Å; F332-V401 HydrophobicContact CD1-CG2 3.99Å; F332-V401 HydrophobicContact CE1-CB 4.47Å; F332-V401 HydrophobicContact CE1-CG2 4.08Å
333	A	97.9	Very high	97.2	Very high	23 Å²	23	33.9 Å²	33.9	19%	0.19	19%	0.19	C	C	.	.	H	α-helix	trans	-63.2	-32.3	-177.9	0	0	0	0	0	113.6	L329 R330 G335 V401 L405	L329-A333 VanDerWaalsContact O-CB 3.26Å; L329-A333 WeakPolarHBondContact O-CB 3.33Å; L329-A333 PolarHBondContact O-N 3.36Å; R330-A333 PolarHBondContact O-N 2.7Å; A333-G335 PolarHBondContact O-N 3.36Å; A333-G335 VanDerWaalsContact O-N 3.15Å; A333-V401 HydrophobicContact CB-CG1 4.05Å; A333-L405 HydrophobicContact CB-CD1 3.46Å; A333-L405 VanDerWaalsContact CB-CD1 3.46Å
334	S	97.1	Very high	97.3	Very high	80 Å²	80	31.1 Å²	31.1	56%	0.559	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.3	176.9	75.9	0	0	0	0	114	R330 R331 F332 A336	R330-S334 WeakPolarHBondContact O-CB 3.36Å; R330-S334 PolarHBondContact O-N 3.14Å; R331-S334 PolarHBondContact O-OG 3.36Å; F332-S334 VanDerWaalsContact C-N 3.3Å; F332-S334 PolarHBondContact O-N 2.97Å; S334-A336 PolarHBondContact O-N 3.07Å; S334-A336 VanDerWaalsContact OG-CB 3.28Å; S334-A336 WeakPolarHBondContact OG-CB 2.84Å; S334-A336 PolarHBondContact OG-N 2.98Å
335	G	94.4	Very high	97.3	Very high	17 Å²	17	30.7 Å²	30.7	18%	0.175	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	1.1	-174.7	0	0	0	0	0	114.5	F332 A333 V337 Q339	F332-G335 PolarHBondContact O-N 3.02Å; F332-G335 VanDerWaalsContact O-N 3.15Å; A333-G335 PolarHBondContact O-N 3.36Å; A333-G335 VanDerWaalsContact O-N 3.15Å; G335-V337 VanDerWaalsContact C-N 3.29Å; G335-V337 PolarHBondContact O-N 3.25Å; G335-Q339 PolarHBondContact O-NE2 2.95Å; G335-Q339 VanDerWaalsContact O-NE2 3.12Å
336	A	90.5	Very high	97.4	Very high	81 Å²	81	30.7 Å²	30.7	67%	0.669	18%	0.175	S	C	*	.	S	Bend	trans	-66	-28.8	-178.1	0	0	0	0	0	113.5	S334	S334-A336 PolarHBondContact O-N 3.07Å; S334-A336 VanDerWaalsContact OG-CB 3.28Å; S334-A336 WeakPolarHBondContact OG-CB 2.84Å; S334-A336 PolarHBondContact OG-N 2.98Å
337	V	94	Very high	97.3	Very high	30 Å²	30	32 Å²	32	18%	0.182	18%	0.182	C	C	.	.	S	Bend	trans	-95	-34.6	-179.8	-68.2	0	0	0	0	113.4	F268 E297 R331 G335	F268-V337 HydrophobicContact CD1-CG2 4.49Å; F268-V337 HydrophobicContact CE1-CG2 4.06Å; F268-V337 HydrophobicContact CE2-CB 4.17Å; F268-V337 HydrophobicContact CE2-CG2 4.22Å; F268-V337 HydrophobicContact CZ-CB 4.11Å; F268-V337 HydrophobicContact CZ-CG1 4.5Å; F268-V337 HydrophobicContact CZ-CG2 3.91Å; E297-V337 WeakPolarHBondContact OE1-CG1 3.49Å; R331-V337 HydrophobicContact CG-CG1 3.6Å; R331-V337 HydrophobicContact CG-CG2 4.34Å; G335-V337 VanDerWaalsContact C-N 3.29Å; G335-V337 PolarHBondContact O-N 3.25Å
338	T	96.7	Very high	97.3	Very high	23 Å²	23	31.5 Å²	31.5	14%	0.141	18%	0.178	C	C	.	.			trans	-171.4	157.1	-174	-176.3	0	0	0	0	110.7	F268 F332 A340 R398	F268-T338 HydrophobicContact CB-CG2 3.52Å; F268-T338 HydrophobicContact CD1-CG2 4.28Å; F268-T338 HydrophobicContact CD2-CG2 3.78Å; F268-T338 HydrophobicContact CG-CG2 3.6Å; F332-T338 HydrophobicContact CD2-CG2 3.87Å; F332-T338 HydrophobicContact CE2-CG2 3.83Å; T338-A340 HydrophobicContact CG2-CB 4.02Å; T338-A340 WeakPolarHBondContact OG1-CB 3.33Å; T338-A340 PolarHBondContact OG1-N 2.87Å; T338-R398 PolarHBondContact O-NH2 2.94Å
339	Q	96.7	Very high	97.3	Very high	145 Å²	145	32.2 Å²	32.2	68%	0.678	18%	0.182	S	C	*	.			trans	-99.8	6	168.6	-61.6	-59.9	-42	0	0	112.7	G335	G335-Q339 PolarHBondContact O-NE2 2.95Å; G335-Q339 VanDerWaalsContact O-NE2 3.12Å
340	A	98.2	Very high	97.3	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.033	18%	0.182	C	C	.	.			trans	-50.5	138.6	-179.7	0	0	0	0	0	112.2	F268 F332 T338 W342 R398	F268-A340 HydrophobicContact CB-CB 4.27Å; F332-A340 WeakPolarHBondContact CZ-O 3.27Å; T338-A340 HydrophobicContact CG2-CB 4.02Å; T338-A340 WeakPolarHBondContact OG1-CB 3.33Å; T338-A340 PolarHBondContact OG1-N 2.87Å; A340-W342 VanDerWaalsContact C-N 3.3Å; A340-W342 PolarHBondContact O-N 3.27Å; A340-R398 VanDerWaalsContact O-CZ 3.28Å; A340-R398 PolarHBondContact O-NE 2.81Å; A340-R398 PolarHBondContact O-NH2 2.78Å
341	P	98.4	Very high	97.3	Very high	31 Å²	31	26.7 Å²	26.7	20%	0.201	16%	0.161	C	C	.	.	S	Bend	trans	-71.1	-22.9	177.2	25.2	-32.9	0	0	0	113.6	D266 P366 S397 R398	D266-P341 HydrophobicContact CB-CG 3.91Å; D266-P341 VanDerWaalsContact O-CD 3.31Å; D266-P341 WeakPolarHBondContact O-CD 3.46Å; P341-P366 HydrophobicContact CB-CB 3.69Å; P341-P366 HydrophobicContact CG-CB 4.48Å; P341-S397 CarbonylContact O-C 3.59Å; P341-S397 WeakPolarHBondContact O-CA 3.22Å; P341-R398 PolarHBondContact O-N 3.19Å
342	W	98.8	Very high	97.4	Very high	3 Å²	3	23.2 Å²	23.2	1%	0.011	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.2	-175.4	-59.1	103.7	0	0	0	112.4	D266 V267 F268 A340 L361 P366 V370 V395	D266-W342 WeakPolarHBondContact O-CB 3.44Å; D266-W342 PolarHBondContact O-N 3.16Å; V267-W342 HydrophobicContact CG2-CB 4.23Å; F268-W342 PolarHBondContact N-O 3.14Å; A340-W342 VanDerWaalsContact C-N 3.3Å; A340-W342 PolarHBondContact O-N 3.27Å; W342-L361 HydrophobicContact CB-CD1 4.08Å; W342-L361 HydrophobicContact CD2-CD1 4.03Å; W342-L361 HydrophobicContact CD2-CD2 4.26Å; W342-L361 HydrophobicContact CE3-CD1 4.47Å; W342-L361 HydrophobicContact CE3-CD2 4.06Å; W342-L361 HydrophobicContact CG-CD1 3.83Å; W342-L361 HydrophobicContact CZ3-CD2 4.21Å; W342-P366 HydrophobicContact CZ2-CB 3.78Å; W342-V370 HydrophobicContact CH2-CB 4.08Å; W342-V370 HydrophobicContact CH2-CG1 4.14Å; W342-V370 HydrophobicContact CH2-CG2 4.16Å; W342-V370 HydrophobicContact CZ3-CB 3.86Å; W342-V370 HydrophobicContact CZ3-CG1 3.86Å; W342-V370 HydrophobicContact CZ3-CG2 4.45Å; W342-V395 HydrophobicContact CE3-CG1 4.06Å
343	L	98.9	Very high	97.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.9	168.5	171.5	66.5	0	0	0	108.9	F268 A270 I328 L329 F332 I345 V395 F396 V401	F268-L343 HydrophobicContact CD1-CD1 3.63Å; F268-L343 HydrophobicContact CE1-CD1 4.24Å; A270-L343 HydrophobicContact CB-CD1 4.06Å; I328-L343 HydrophobicContact CG2-CD1 4.49Å; L329-L343 HydrophobicContact CD2-CD2 3.62Å; F332-L343 HydrophobicContact CB-CD1 4.36Å; F332-L343 HydrophobicContact CB-CD2 4.22Å; F332-L343 HydrophobicContact CD1-CB 3.86Å; F332-L343 HydrophobicContact CD1-CD2 3.91Å; F332-L343 HydrophobicContact CD1-CG 4.36Å; F332-L343 HydrophobicContact CD2-CB 4.19Å; F332-L343 HydrophobicContact CD2-CD1 4.14Å; F332-L343 HydrophobicContact CE1-CB 3.62Å; F332-L343 HydrophobicContact CE1-CD2 4.46Å; F332-L343 HydrophobicContact CE2-CB 3.99Å; F332-L343 HydrophobicContact CG-CB 4.13Å; F332-L343 HydrophobicContact CG-CD1 4.13Å; F332-L343 HydrophobicContact CG-CD2 4.07Å; F332-L343 HydrophobicContact CG-CG 4.35Å; F332-L343 HydrophobicContact CZ-CB 3.7Å; L343-I345 HydrophobicContact CD1-CG1 4.13Å; L343-I345 HydrophobicContact CD2-CD1 3.9Å; L343-I345 HydrophobicContact CD2-CG1 3.92Å; L343-I345 HydrophobicContact CG-CD1 4.39Å; L343-I345 HydrophobicContact CG-CG1 3.84Å; L343-V395 CarbonylContact O-C 3.45Å; L343-V395 WeakPolarHBondContact O-CA 3.34Å; L343-F396 PolarHBondContact N-O 3.36Å; L343-F396 PolarHBondContact O-N 2.97Å; L343-V401 HydrophobicContact CD2-CG2 3.93Å
344	L	98.9	Very high	97.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.3	165.4	170.2	68.8	0	0	0	108.4	V267 F268 V269 A270 V346 I352 L354 L357 V395	V267-L344 HydrophobicContact CG1-CB 4.29Å; F268-L344 PolarHBondContact O-N 3.49Å; V269-L344 HydrophobicContact CG1-CD2 3.91Å; V269-L344 HydrophobicContact CG1-CG 4.34Å; V269-L344 HydrophobicContact CG2-CD2 4.09Å; A270-L344 PolarHBondContact N-O 3.41Å; L344-V346 HydrophobicContact CD1-CG1 3.71Å; L344-V346 HydrophobicContact CD2-CG1 4.07Å; L344-V346 HydrophobicContact CG-CG1 3.83Å; L344-I352 HydrophobicContact CD1-CD1 3.86Å; L344-I352 HydrophobicContact CD2-CD1 3.85Å; L344-L354 HydrophobicContact CD2-CD2 3.6Å; L344-L357 HydrophobicContact CB-CD2 4.43Å; L344-L357 HydrophobicContact CD1-CD2 4.14Å; L344-L357 HydrophobicContact CD2-CD2 3.8Å; L344-L357 HydrophobicContact CG-CD2 4.34Å; L344-V395 HydrophobicContact CD1-CG2 3.68Å
345	I	98.9	Very high	97.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.7	170.1	-50.6	-178.1	0	0	0	108.1	A270 K272 T325 I328 L329 L343 G393 M394 F396	A270-I345 HydrophobicContact CB-CG1 4.36Å; A270-I345 WeakPolarHBondContact O-CA 3.46Å; K272-I345 HydrophobicContact CD-CG2 4.14Å; K272-I345 HydrophobicContact CG-CG2 4.22Å; T325-I345 HydrophobicContact CG2-CD1 4.07Å; I328-I345 HydrophobicContact CG2-CD1 4.29Å; I328-I345 HydrophobicContact CG2-CG1 4.49Å; L329-I345 HydrophobicContact CD2-CD1 3.95Å; L343-I345 HydrophobicContact CD1-CG1 4.13Å; L343-I345 HydrophobicContact CD2-CD1 3.9Å; L343-I345 HydrophobicContact CD2-CG1 3.92Å; L343-I345 HydrophobicContact CG-CD1 4.39Å; L343-I345 HydrophobicContact CG-CG1 3.84Å; I345-G393 WeakPolarHBondContact O-CA 3.35Å; I345-M394 HydrophobicContact CB-CE 4.16Å; I345-M394 HydrophobicContact CG2-CE 4Å; I345-M394 PolarHBondContact N-O 3.19Å; I345-M394 PolarHBondContact O-N 3.42Å; I345-F396 HydrophobicContact CD1-CD2 4.39Å; I345-F396 HydrophobicContact CD1-CE2 4.2Å
346	V	98.4	Very high	97.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	156.5	178.7	-69.4	0	0	0	0	111	V269 A270 V271 K272 W289 L344 T350 I352	V269-V346 HydrophobicContact CG1-CG2 4.23Å; A270-V346 PolarHBondContact O-N 2.94Å; V271-V346 HydrophobicContact CB-CG2 4.48Å; V271-V346 HydrophobicContact CG2-CG2 4.01Å; K272-V346 PolarHBondContact N-O 3.25Å; W289-V346 HydrophobicContact CH2-CG2 3.74Å; W289-V346 HydrophobicContact CZ2-CG2 3.97Å; L344-V346 HydrophobicContact CD1-CG1 3.71Å; L344-V346 HydrophobicContact CD2-CG1 4.07Å; L344-V346 HydrophobicContact CG-CG1 3.83Å; V346-T350 HydrophobicContact CB-CG2 4.2Å; V346-T350 HydrophobicContact CG1-CG2 3.95Å; V346-I352 HydrophobicContact CG1-CD1 4.39Å
347	D	97.9	Very high	97.7	Very high	28 Å²	28	15.7 Å²	15.7	15%	0.15	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	161.8	168.2	-66.6	-33.8	0	0	0	110	K272 D349 T350 G391	K272-D347 WeakPolarHBondContact CE-OD1 3.36Å; K272-D347 IonicContact NZ-OD1 3.83Å; K272-D347 PolarHBondContact NZ-OD1 2.93Å; D347-D349 PolarHBondContact O-N 3.01Å; D347-T350 PolarHBondContact N-OG1 2.96Å; D347-T350 WeakPolarHBondContact O-CB 3.37Å; D347-T350 PolarHBondContact O-N 3.08Å; D347-T350 VanDerWaalsContact O-N 3.13Å; D347-T350 PolarHBondContact O-OG1 2.94Å; D347-G391 WeakPolarHBondContact OD2-CA 2.84Å
348	D	97.1	Very high	97.8	Very high	5 Å²	5	16.4 Å²	16.4	3%	0.027	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-8.3	-179.4	59.4	14.1	0	0	0	114.3	V271 K272 T273 F277 R281 H463	V271-D348 HydrophobicContact CG1-CB 4.28Å; K272-D348 WeakPolarHBondContact O-CB 3.36Å; K272-D348 PolarHBondContact O-N 3.19Å; K272-D348 VanDerWaalsContact O-N 3.08Å; T273-D348 WeakPolarHBondContact CA-OD2 3.39Å; T273-D348 VanDerWaalsContact CB-OD2 3.25Å; T273-D348 WeakPolarHBondContact CB-OD2 3.47Å; T273-D348 PolarHBondContact OG1-OD2 2.83Å; F277-D348 WeakPolarHBondContact CB-OD2 3.49Å; F277-D348 WeakPolarHBondContact CD2-OD2 3.44Å; R281-D348 HydrophobicContact CB-CB 4.08Å; R281-D348 WeakPolarHBondContact CB-O 3.44Å; R281-D348 VanDerWaalsContact CD-CG 3.48Å; R281-D348 WeakPolarHBondContact CD-OD1 3.48Å; R281-D348 IonicContact CZ-OD1 3.16Å; R281-D348 IonicContact NE-OD1 2.8Å; R281-D348 IonicContact NH1-OD1 2.99Å; R281-D348 PolarHBondContact NH1-OD1 2.88Å; D348-H463 PolarHBondContact O-CE1 3.44Å
349	D	97.7	Very high	97.7	Very high	15 Å²	15	19.4 Å²	19.4	8%	0.08	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	21.6	169.5	58.2	-19	0	0	0	114.5	R281 D347 H461 K462 H463	R281-D349 IonicContact CZ-OD2 2.97Å; R281-D349 IonicContact NH1-OD1 3.78Å; R281-D349 PolarHBondContact NH1-OD1 3.15Å; R281-D349 VanDerWaalsContact NH1-OD1 3.13Å; R281-D349 IonicContact NH1-OD2 3.13Å; R281-D349 PolarHBondContact NH1-OD2 2.58Å; R281-D349 IonicContact NH2-OD2 3.92Å; R281-D349 PolarHBondContact NH2-OD2 3Å; D347-D349 PolarHBondContact O-N 3.01Å; D349-H461 IonicContact OD1-CD2 2.77Å; D349-H461 IonicContact OD1-NE2 2.81Å; D349-H461 PolarHBondContact OD1-NE2 3.49Å; D349-H461 IonicContact OD2-NE2 3.28Å; D349-K462 PolarHBondContact O-N 3.01Å; D349-K462 VanDerWaalsContact O-N 3.09Å; D349-H463 HydrophobicContact CB-CB 4.23Å; D349-H463 PolarHBondContact O-CD2 3.44Å
350	T	98.6	Very high	97.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.3	165.3	-53	0	0	0	0	110.6	W289 V346 D347 I352 G391	W289-T350 PolarHBondContact NE1-O 3.15Å; V346-T350 HydrophobicContact CB-CG2 4.2Å; V346-T350 HydrophobicContact CG1-CG2 3.95Å; D347-T350 PolarHBondContact N-OG1 2.96Å; D347-T350 WeakPolarHBondContact O-CB 3.37Å; D347-T350 PolarHBondContact O-N 3.08Å; D347-T350 VanDerWaalsContact O-N 3.13Å; D347-T350 PolarHBondContact O-OG1 2.94Å; T350-I352 HydrophobicContact CG2-CB 4.41Å; T350-G391 WeakPolarHBondContact CG2-O 3.34Å; T350-G391 PolarHBondContact OG1-O 2.87Å
351	L	98.6	Very high	97.6	Very high	3 Å²	3	13 Å²	13	2%	0.016	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.6	166.2	-61.5	175.7	0	0	0	108.5	I284 S459 F460 P468 V471 L476	I284-L351 HydrophobicContact CG2-CD2 4.18Å; L351-S459 CarbonylContact O-C 3.18Å; L351-S459 WeakPolarHBondContact O-CA 3.44Å; L351-S459 WeakPolarHBondContact O-CB 3.26Å; L351-F460 PolarHBondContact N-O 3.35Å; L351-F460 PolarHBondContact O-N 2.7Å; L351-P468 HydrophobicContact CD1-CB 3.99Å; L351-P468 VanDerWaalsContact CD1-O 3.3Å; L351-P468 WeakPolarHBondContact CD1-O 3.49Å; L351-P468 HydrophobicContact CD2-CB 4.19Å; L351-V471 HydrophobicContact CD1-CB 4.07Å; L351-V471 HydrophobicContact CD1-CG1 3.72Å; L351-L476 VanDerWaalsContact C-CD1 3.47Å; L351-L476 HydrophobicContact CB-CD1 3.57Å; L351-L476 VanDerWaalsContact O-CD1 3.32Å; L351-L476 WeakPolarHBondContact O-CD1 3.42Å
352	I	98.5	Very high	97.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	140.4	-175.7	-169.9	161.1	0	0	0	113.7	W289 L344 V346 T350 L354 L357 I458 Y472	W289-I352 WeakPolarHBondContact CB-O 3.39Å; W289-I352 HydrophobicContact CD2-CG2 3.56Å; W289-I352 HydrophobicContact CE3-CG2 3.92Å; W289-I352 HydrophobicContact CG-CG2 3.89Å; W289-I352 HydrophobicContact CH2-CG2 4.43Å; W289-I352 HydrophobicContact CZ2-CG2 4.1Å; W289-I352 HydrophobicContact CZ3-CG2 4.35Å; L344-I352 HydrophobicContact CD1-CD1 3.86Å; L344-I352 HydrophobicContact CD2-CD1 3.85Å; V346-I352 HydrophobicContact CG1-CD1 4.39Å; T350-I352 HydrophobicContact CG2-CB 4.41Å; I352-L354 HydrophobicContact CG2-CD2 4.2Å; I352-L357 HydrophobicContact CD1-CD2 4.24Å; I352-I458 CarbonylContact C-O 3.59Å; I352-I458 VanDerWaalsContact CA-O 3.3Å; I352-I458 WeakPolarHBondContact CA-O 3.24Å; I352-I458 HydrophobicContact CD1-CG2 4.03Å; I352-I458 HydrophobicContact CG1-CG2 3.89Å; I352-I458 WeakPolarHBondContact CG1-O 3.42Å; I352-Y472 WeakPolarHBondContact O-CE2 3.48Å
353	S	97.9	Very high	97.4	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.007	7%	0.066	C	C	.	.			trans	-92.1	94.7	171.6	-171.2	0	0	0	0	110.6	P355 R356 L357 I458 L476	S353-P355 VanDerWaalsContact C-CD 3.48Å; S353-R356 PolarHBondContact O-N 2.7Å; S353-R356 WeakPolarHBondContact OG-CG 3.34Å; S353-L357 PolarHBondContact O-N 3.11Å; S353-I458 PolarHBondContact N-O 2.76Å; S353-L476 WeakPolarHBondContact CB-O 3.47Å; S353-L476 PolarHBondContact OG-O 3.48Å
354	L	97.8	Very high	97.3	Very high	8 Å²	8	14 Å²	14	4%	0.042	7%	0.068	C	C	.	.	H	α-helix	trans	-59.3	-36.9	176.1	-62.2	-179.7	0	0	0	113.7	V269 W289 D292 A293 L344 I352 R356 L357 R358	V269-L354 HydrophobicContact CG2-CD1 4.46Å; V269-L354 HydrophobicContact CG2-CD2 4.33Å; W289-L354 HydrophobicContact CE3-CD1 3.97Å; W289-L354 HydrophobicContact CE3-CG 4.29Å; W289-L354 HydrophobicContact CZ3-CD1 4.46Å; D292-L354 HydrophobicContact CB-CB 4.03Å; D292-L354 HydrophobicContact CB-CD1 4.04Å; A293-L354 HydrophobicContact CB-CD1 3.71Å; L344-L354 HydrophobicContact CD2-CD2 3.6Å; I352-L354 HydrophobicContact CG2-CD2 4.2Å; L354-R356 PolarHBondContact O-N 3.38Å; L354-L357 HydrophobicContact CD2-CD2 4.13Å; L354-L357 PolarHBondContact O-N 3.29Å; L354-R358 WeakPolarHBondContact O-CB 3.32Å; L354-R358 WeakPolarHBondContact O-CD 3.35Å; L354-R358 WeakPolarHBondContact O-CG 3.38Å; L354-R358 PolarHBondContact O-N 2.99Å
355	P	95.6	Very high	97.1	Very high	18 Å²	18	17.2 Å²	17.2	12%	0.117	9%	0.085	C	C	.	.	H	α-helix	trans	-59.5	-42.6	173.3	-26.5	36.4	0	0	0	113.6	S353 R358 R359 E478	S353-P355 VanDerWaalsContact C-CD 3.48Å; P355-R358 PolarHBondContact O-N 3.22Å; P355-R359 PolarHBondContact O-N 3.09Å; P355-E478 HydrophobicContact CB-CG 4.12Å; P355-E478 HydrophobicContact CG-CG 4.35Å
356	R	95.6	Very high	97	Very high	15 Å²	15	19.6 Å²	19.6	6%	0.057	10%	0.1	C	C	.	.	H	α-helix	trans	-72.2	-39.4	178.1	-63.8	177.6	-168	175.1	4.9	111.9	S353 L354 R358 R359 L360 P457 I458 W475 S477 E478	S353-R356 PolarHBondContact O-N 2.7Å; S353-R356 WeakPolarHBondContact OG-CG 3.34Å; L354-R356 PolarHBondContact O-N 3.38Å; R356-R358 VanDerWaalsContact C-N 3.31Å; R356-R358 PolarHBondContact O-N 3.45Å; R356-R359 WeakPolarHBondContact O-CB 3.04Å; R356-R359 PolarHBondContact O-N 3Å; R356-R359 VanDerWaalsContact O-N 3.16Å; R356-L360 PolarHBondContact O-N 2.46Å; R356-P457 VanDerWaalsContact CD-O 3.3Å; R356-P457 WeakPolarHBondContact CD-O 3.39Å; R356-P457 PolarHBondContact NH1-O 2.94Å; R356-I458 HydrophobicContact CB-CG1 3.92Å; R356-W475 VanDerWaalsContact CZ-O 3.3Å; R356-W475 PolarHBondContact NH1-O 3.07Å; R356-W475 PolarHBondContact NH2-O 3.15Å; R356-S477 PolarHBondContact NH2-O 3.18Å; R356-E478 WeakPolarHBondContact CG-OE1 3.04Å; R356-E478 IonicContact CZ-OE1 2.66Å; R356-E478 IonicContact NE-OE1 3.19Å; R356-E478 PolarHBondContact NE-OE1 3.42Å; R356-E478 IonicContact NH2-OE1 3.67Å
357	L	97.6	Very high	97	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-54.3	-49.5	171.4	174.8	61.3	0	0	0	110.7	L344 I352 S353 L354 R359 L360 L361 V395 F439 I458	L344-L357 HydrophobicContact CB-CD2 4.43Å; L344-L357 HydrophobicContact CD1-CD2 4.14Å; L344-L357 HydrophobicContact CD2-CD2 3.8Å; L344-L357 HydrophobicContact CG-CD2 4.34Å; I352-L357 HydrophobicContact CD1-CD2 4.24Å; S353-L357 PolarHBondContact O-N 3.11Å; L354-L357 HydrophobicContact CD2-CD2 4.13Å; L354-L357 PolarHBondContact O-N 3.29Å; L357-R359 VanDerWaalsContact C-N 3.27Å; L357-R359 PolarHBondContact O-N 3.09Å; L357-L360 WeakPolarHBondContact O-CB 3.31Å; L357-L360 PolarHBondContact O-N 2.92Å; L357-L361 HydrophobicContact CD1-CD1 3.98Å; L357-L361 HydrophobicContact CD1-CD2 4.12Å; L357-L361 HydrophobicContact CD1-CG 3.84Å; L357-L361 HydrophobicContact CD2-CD1 4.47Å; L357-L361 HydrophobicContact CG-CD1 3.92Å; L357-L361 HydrophobicContact CG-CG 4.16Å; L357-L361 WeakPolarHBondContact O-CG 3.42Å; L357-L361 PolarHBondContact O-N 3.25Å; L357-V395 HydrophobicContact CD1-CG2 3.83Å; L357-V395 HydrophobicContact CD2-CG2 4.43Å; L357-F439 HydrophobicContact CD1-CE1 4.5Å; L357-F439 HydrophobicContact CD1-CZ 3.82Å; L357-I458 HydrophobicContact CB-CG2 4.1Å
358	R	96.9	Very high	97	Very high	46 Å²	46	25.9 Å²	25.9	17%	0.174	14%	0.136	C	C	.	.	H	α-helix	trans	-61.6	-32.2	179.4	-70.7	165.2	63.5	-150.2	-5.2	113.5	P261 V262 V267 L354 P355 R356 S362	P261-R358 HydrophobicContact CB-CB 4.19Å; V262-R358 HydrophobicContact CB-CB 4.38Å; V262-R358 PolarHBondContact N-O 3.02Å; V262-R358 PolarHBondContact O-NE 3.49Å; V262-R358 PolarHBondContact O-NH2 3.24Å; V267-R358 HydrophobicContact CG2-CG 4.16Å; L354-R358 WeakPolarHBondContact O-CB 3.32Å; L354-R358 WeakPolarHBondContact O-CD 3.35Å; L354-R358 WeakPolarHBondContact O-CG 3.38Å; L354-R358 PolarHBondContact O-N 2.99Å; P355-R358 PolarHBondContact O-N 3.22Å; R356-R358 VanDerWaalsContact C-N 3.31Å; R356-R358 PolarHBondContact O-N 3.45Å; R358-S362 PolarHBondContact O-N 3.46Å
359	R	95.4	Very high	97	Very high	86 Å²	86	26.9 Å²	26.9	33%	0.325	14%	0.144	S	C	.	.	H	α-helix	trans	-66.8	-47.8	171.1	-68.9	170.4	-164.9	150.3	5.4	110.8	L255 P261 P355 R356 L357 L361 S362 E478	L255-R359 HydrophobicContact CD2-CB 3.56Å; P261-R359 HydrophobicContact CB-CG 4.22Å; P261-R359 HydrophobicContact CG-CG 3.88Å; P355-R359 PolarHBondContact O-N 3.09Å; R356-R359 WeakPolarHBondContact O-CB 3.04Å; R356-R359 PolarHBondContact O-N 3Å; R356-R359 VanDerWaalsContact O-N 3.16Å; L357-R359 VanDerWaalsContact C-N 3.27Å; L357-R359 PolarHBondContact O-N 3.09Å; R359-L361 VanDerWaalsContact C-N 3.35Å; R359-L361 PolarHBondContact O-N 3.15Å; R359-S362 WeakPolarHBondContact O-CB 3.46Å; R359-S362 PolarHBondContact O-N 2.87Å; R359-S362 PolarHBondContact O-OG 3.36Å; R359-E478 IonicContact CZ-OE2 3.13Å; R359-E478 VanDerWaalsContact CZ-OE2 3.24Å; R359-E478 IonicContact NH1-OE1 3.23Å; R359-E478 PolarHBondContact NH1-OE1 2.99Å; R359-E478 IonicContact NH1-OE2 3.13Å; R359-E478 PolarHBondContact NH1-OE2 3.27Å; R359-E478 IonicContact NH2-OE1 3.45Å; R359-E478 IonicContact NH2-OE2 2.67Å; R359-E478 PolarHBondContact NH2-OE2 3.33Å
360	L	95.8	Very high	97.1	Very high	13 Å²	13	26.2 Å²	26.2	7%	0.068	14%	0.141	C	C	.	.	H	α-helix	trans	-60.2	-44.5	176.6	176.4	66	0	0	0	111.6	R356 L357 S362 C363 Y364 F439 I458	R356-L360 PolarHBondContact O-N 2.46Å; L357-L360 WeakPolarHBondContact O-CB 3.31Å; L357-L360 PolarHBondContact O-N 2.92Å; L360-S362 PolarHBondContact O-N 3.13Å; L360-C363 WeakPolarHBondContact O-CB 3.16Å; L360-C363 PolarHBondContact O-N 3.31Å; L360-C363 PolarHBondContact O-SG 3.24Å; L360-C363 VanDerWaalsContact O-SG 3.4Å; L360-Y364 HydrophobicContact CD1-CE2 4Å; L360-Y364 HydrophobicContact CG-CE2 3.99Å; L360-F439 HydrophobicContact CD2-CE2 3.58Å; L360-F439 HydrophobicContact CD2-CZ 4.26Å; L360-I458 HydrophobicContact CB-CD1 3.8Å; L360-I458 HydrophobicContact CD2-CD1 3.4Å; L360-I458 VanDerWaalsContact CD2-CD1 3.4Å; L360-I458 HydrophobicContact CG-CD1 4.21Å
361	L	97.3	Very high	97	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-63.9	-22.3	-180	-63.9	-178.4	0	0	0	113.4	V262 V267 W342 L357 R359 C363 Y364 V372 V395	V262-L361 HydrophobicContact CB-CB 4.42Å; V262-L361 HydrophobicContact CG2-CB 3.72Å; V267-L361 HydrophobicContact CG2-CD1 4.07Å; W342-L361 HydrophobicContact CB-CD1 4.08Å; W342-L361 HydrophobicContact CD2-CD1 4.03Å; W342-L361 HydrophobicContact CD2-CD2 4.26Å; W342-L361 HydrophobicContact CE3-CD1 4.47Å; W342-L361 HydrophobicContact CE3-CD2 4.06Å; W342-L361 HydrophobicContact CG-CD1 3.83Å; W342-L361 HydrophobicContact CZ3-CD2 4.21Å; L357-L361 HydrophobicContact CD1-CD1 3.98Å; L357-L361 HydrophobicContact CD1-CD2 4.12Å; L357-L361 HydrophobicContact CD1-CG 3.84Å; L357-L361 HydrophobicContact CD2-CD1 4.47Å; L357-L361 HydrophobicContact CG-CD1 3.92Å; L357-L361 HydrophobicContact CG-CG 4.16Å; L357-L361 WeakPolarHBondContact O-CG 3.42Å; L357-L361 PolarHBondContact O-N 3.25Å; R359-L361 VanDerWaalsContact C-N 3.35Å; R359-L361 PolarHBondContact O-N 3.15Å; L361-C363 PolarHBondContact O-N 2.71Å; L361-Y364 HydrophobicContact CD2-CD2 4.46Å; L361-Y364 PolarHBondContact O-N 3.34Å; L361-Y364 VanDerWaalsContact O-N 3.16Å; L361-V372 HydrophobicContact CD2-CG1 4.33Å; L361-V395 HydrophobicContact CD1-CG1 4.23Å; L361-V395 HydrophobicContact CD2-CG1 3.75Å
362	S	96.4	Very high	97	Very high	28 Å²	28	26.1 Å²	26.1	20%	0.196	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13	172.9	75.5	0	0	0	0	113.6	K260 R358 R359 L360	K260-S362 WeakPolarHBondContact O-CB 3.42Å; R358-S362 PolarHBondContact O-N 3.46Å; R359-S362 WeakPolarHBondContact O-CB 3.46Å; R359-S362 PolarHBondContact O-N 2.87Å; R359-S362 PolarHBondContact O-OG 3.36Å; L360-S362 PolarHBondContact O-N 3.13Å
363	C	95	Very high	97	Very high	17 Å²	17	26.1 Å²	26.1	12%	0.115	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-20.9	174.5	-58.9	0	0	0	0	113.9	Y63 C258 L360 L361	Y63-C363 WeakPolarHBondContact CB-O 3.39Å; Y63-C363 HydrophobicContact CD1-CB 4Å; Y63-C363 HydrophobicContact CD2-CB 3.74Å; Y63-C363 WeakPolarHBondContact CD2-O 3.31Å; Y63-C363 HydrophobicContact CE1-CB 3.85Å; Y63-C363 HydrophobicContact CE2-CB 3.55Å; Y63-C363 HydrophobicContact CG-CB 3.96Å; C258-C363 VanDerWaalsContact CB-CA 3.45Å; C258-C363 HydrophobicContact CB-CB 3.72Å; C258-C363 WeakPolarHBondContact CB-SG 3.47Å; C258-C363 WeakPolarHBondContact SG-CA 3.38Å; C258-C363 WeakPolarHBondContact SG-CB 3.43Å; C258-C363 CovalentContact SG-SG 2.03Å; C258-C363 PolarHBondContact SG-SG 3.22Å; L360-C363 WeakPolarHBondContact O-CB 3.16Å; L360-C363 PolarHBondContact O-N 3.31Å; L360-C363 PolarHBondContact O-SG 3.24Å; L360-C363 VanDerWaalsContact O-SG 3.4Å; L361-C363 PolarHBondContact O-N 2.71Å
364	Y	96.9	Very high	97.1	Very high	11 Å²	11	26.7 Å²	26.7	4%	0.043	14%	0.143	C	C	.	.	S	Bend	trans	-105.6	143.4	-172.7	-61.4	-79.8	0	0	0	111.2	Y63 H64 L360 L361 P366 V370 V372 T434	Y63-Y364 HydrophobicContact CD1-CD1 4.29Å; Y63-Y364 AromaticContact CD1-CE1 3.76Å; Y63-Y364 HydrophobicContact CD1-CE1 3.76Å; Y63-Y364 AromaticContact CD1-CZ 3.99Å; Y63-Y364 HydrophobicContact CG-CE1 4.5Å; H64-Y364 AromaticContact CD2-CE1 3.88Å; H64-Y364 AromaticContact NE2-CE1 3.9Å; H64-Y364 AromaticContact NE2-CZ 3.83Å; H64-Y364 PolarHBondContact NE2-OH 2.78Å; L360-Y364 HydrophobicContact CD1-CE2 4Å; L360-Y364 HydrophobicContact CG-CE2 3.99Å; L361-Y364 HydrophobicContact CD2-CD2 4.46Å; L361-Y364 PolarHBondContact O-N 3.34Å; L361-Y364 VanDerWaalsContact O-N 3.16Å; Y364-P366 WeakPolarHBondContact O-CD 3.1Å; Y364-V370 HydrophobicContact CD1-CG1 4.03Å; Y364-V370 HydrophobicContact CD1-CG2 4.43Å; Y364-V370 HydrophobicContact CG-CG1 4.11Å; Y364-V372 HydrophobicContact CE2-CG1 4.49Å; Y364-V372 HydrophobicContact CE2-CG2 4.39Å; Y364-T434 HydrophobicContact CE1-CG2 4.22Å
365	D	96.2	Very high	97.1	Very high	67 Å²	67	27.3 Å²	27.3	36%	0.358	14%	0.144	S	C	.	.			trans	-75.7	116.6	170.4	-173.4	-22.4	0	0	0	109.3	T367 E368	D365-T367 PolarHBondContact O-N 2.91Å; D365-T367 VanDerWaalsContact O-N 3.15Å; D365-T367 WeakPolarHBondContact OD1-CA 3.47Å; D365-T367 VanDerWaalsContact OD1-CB 3.31Å; D365-T367 WeakPolarHBondContact OD1-CB 3.21Å; D365-T367 WeakPolarHBondContact OD1-CG2 3.35Å; D365-T367 PolarHBondContact OD1-N 3.23Å; D365-T367 PolarHBondContact OD1-OG1 3Å; D365-T367 PolarHBondContact OD2-OG1 3.13Å; D365-E368 HydrophobicContact CB-CB 4.48Å; D365-E368 HydrophobicContact CB-CG 3.99Å; D365-E368 PolarHBondContact O-N 3.44Å; D365-E368 VanDerWaalsContact O-N 3.08Å
366	P	96.8	Very high	97.2	Very high	50 Å²	50	27.3 Å²	27.3	33%	0.325	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-12.8	179.7	28.3	-35.4	0	0	0	113.8	P341 W342 Y364	P341-P366 HydrophobicContact CB-CB 3.69Å; P341-P366 HydrophobicContact CG-CB 4.48Å; W342-P366 HydrophobicContact CZ2-CB 3.78Å; Y364-P366 WeakPolarHBondContact O-CD 3.1Å
367	T	97.3	Very high	97.3	Very high	99 Å²	99	26.6 Å²	26.6	61%	0.607	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-10.7	175.2	74	0	0	0	0	112.9	D365	D365-T367 PolarHBondContact O-N 2.91Å; D365-T367 VanDerWaalsContact O-N 3.15Å; D365-T367 WeakPolarHBondContact OD1-CA 3.47Å; D365-T367 VanDerWaalsContact OD1-CB 3.31Å; D365-T367 WeakPolarHBondContact OD1-CB 3.21Å; D365-T367 WeakPolarHBondContact OD1-CG2 3.35Å; D365-T367 PolarHBondContact OD1-N 3.23Å; D365-T367 PolarHBondContact OD1-OG1 3Å; D365-T367 PolarHBondContact OD2-OG1 3.13Å
368	E	97.8	Very high	97.3	Very high	61 Å²	61	30.5 Å²	30.5	29%	0.285	16%	0.155	S	C	.	.	S	Bend	trans	-84.9	154.8	169.6	-68.6	-178.2	-176	0	0	111.3	S62 D365 V370 S397	S62-E368 WeakPolarHBondContact CB-OE1 3.3Å; S62-E368 PolarHBondContact OG-OE1 2.91Å; S62-E368 PolarHBondContact OG-OE2 3.48Å; D365-E368 HydrophobicContact CB-CB 4.48Å; D365-E368 HydrophobicContact CB-CG 3.99Å; D365-E368 PolarHBondContact O-N 3.44Å; D365-E368 VanDerWaalsContact O-N 3.08Å; E368-V370 HydrophobicContact CB-CG2 4.02Å; E368-V370 PolarHBondContact O-N 2.89Å; E368-S397 WeakPolarHBondContact O-CB 3.46Å; E368-S397 PolarHBondContact O-OG 3.25Å
369	A	98	Very high	97.3	Very high	25 Å²	25	28.9 Å²	28.9	21%	0.207	15%	0.153	C	C	.	.			trans	-76.2	86.9	171.2	0	0	0	0	0	110.3	V399 A400 L431	A369-V399 HydrophobicContact CB-CG1 4.27Å; A369-A400 HydrophobicContact CB-CB 4.19Å; A369-L431 HydrophobicContact CB-CD2 3.79Å
370	V	98.4	Very high	97.2	Very high	1 Å²	1	25 Å²	25	1%	0.006	14%	0.139	C	C	.	.			trans	-97.8	129.2	-177.6	178	0	0	0	0	109.8	W342 Y364 E368 V372 F396 S397 A400	W342-V370 HydrophobicContact CH2-CB 4.08Å; W342-V370 HydrophobicContact CH2-CG1 4.14Å; W342-V370 HydrophobicContact CH2-CG2 4.16Å; W342-V370 HydrophobicContact CZ3-CB 3.86Å; W342-V370 HydrophobicContact CZ3-CG1 3.86Å; W342-V370 HydrophobicContact CZ3-CG2 4.45Å; Y364-V370 HydrophobicContact CD1-CG1 4.03Å; Y364-V370 HydrophobicContact CD1-CG2 4.43Å; Y364-V370 HydrophobicContact CG-CG1 4.11Å; E368-V370 HydrophobicContact CB-CG2 4.02Å; E368-V370 PolarHBondContact O-N 2.89Å; V370-V372 HydrophobicContact CG1-CB 4.44Å; V370-V372 HydrophobicContact CG1-CG1 4.27Å; V370-F396 WeakPolarHBondContact O-CA 3.48Å; V370-S397 PolarHBondContact N-OG 2.87Å; V370-S397 VanDerWaalsContact N-OG 3.12Å; V370-S397 PolarHBondContact O-N 2.91Å; V370-A400 WeakPolarHBondContact O-CB 3.44Å
371	S	98.3	Very high	96.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.9	162.4	72.2	0	0	0	0	108.6	V395 P432 T434	S371-V395 WeakPolarHBondContact CA-O 3.3Å; S371-P432 PolarHBondContact OG-O 2.67Å; S371-T434 WeakPolarHBondContact O-CA 3.49Å; S371-T434 WeakPolarHBondContact O-CB 3.4Å; S371-T434 PolarHBondContact O-N 2.94Å; S371-T434 PolarHBondContact O-OG1 2.92Å
372	V	98.6	Very high	96.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	141.8	-174.7	64.6	0	0	0	0	112.7	L361 Y364 V370 V395 T434	L361-V372 HydrophobicContact CD2-CG1 4.33Å; Y364-V372 HydrophobicContact CE2-CG1 4.49Å; Y364-V372 HydrophobicContact CE2-CG2 4.39Å; V370-V372 HydrophobicContact CG1-CB 4.44Å; V370-V372 HydrophobicContact CG1-CG1 4.27Å; V372-V395 HydrophobicContact CG1-CB 3.75Å; V372-V395 HydrophobicContact CG1-CG1 4.23Å; V372-V395 HydrophobicContact CG1-CG2 4.49Å; V372-V395 PolarHBondContact N-O 3.21Å; V372-V395 PolarHBondContact O-N 2.73Å; V372-T434 WeakPolarHBondContact CA-O 3.44Å; V372-T434 HydrophobicContact CG2-CG2 4.16Å
373	G	98.4	Very high	96.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-154.1	173.8	0	0	0	0	0	110.4	I388 T434 H435 S436	G373-I388 VanDerWaalsContact CA-CG2 3.49Å; G373-T434 PolarHBondContact N-O 3.2Å; G373-H435 CarbonylContact O-C 3.55Å; G373-H435 WeakPolarHBondContact O-CA 3.49Å; G373-S436 PolarHBondContact O-N 2.91Å
374	E	98.4	Very high	96.2	Very high	13 Å²	13	40.4 Å²	40.4	6%	0.061	21%	0.211	C	C	.	.			trans	-78.3	128.1	172.2	-166.5	-174.5	-144.8	0	0	108.8	Y376 I388 T389 F439 Q441 Y447	E374-Y376 HydrophobicContact CG-CE1 4.05Å; E374-I388 CarbonylContact O-C 3.59Å; E374-I388 VanDerWaalsContact O-CA 3.28Å; E374-I388 WeakPolarHBondContact O-CA 2.9Å; E374-T389 PolarHBondContact O-N 3.01Å; E374-T389 PolarHBondContact OE2-OG1 3.33Å; E374-F439 HydrophobicContact CB-CB 3.9Å; E374-F439 WeakPolarHBondContact CB-O 3.24Å; E374-F439 WeakPolarHBondContact CG-O 3.49Å; E374-Q441 WeakPolarHBondContact OE2-CA 3.5Å; E374-Q441 WeakPolarHBondContact OE2-CB 3.44Å; E374-Q441 PolarHBondContact OE2-N 2.97Å; E374-Y447 PolarHBondContact OE1-OH 2.8Å
375	R	98.1	Very high	96.2	Very high	21 Å²	21	41.4 Å²	41.4	8%	0.079	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.6	-170.5	178	176.8	68	-152.7	-6.7	109.6	W102 Y387 I388 V433 H435	W102-R375 VanDerWaalsContact CD2-NE 3.31Å; W102-R375 VanDerWaalsContact CD2-NH2 3.3Å; W102-R375 VanDerWaalsContact CE2-NE 3.29Å; W102-R375 VanDerWaalsContact CE3-NH2 3.32Å; W102-R375 VanDerWaalsContact CG-CZ 3.45Å; W102-R375 VanDerWaalsContact CG-NH2 3.34Å; W102-R375 HydrophobicContact CZ2-CG 4.07Å; R375-Y387 CarbonylContact C-O 3.59Å; R375-Y387 WeakPolarHBondContact CA-O 3.18Å; R375-I388 HydrophobicContact CB-CD1 4.18Å; R375-V433 HydrophobicContact CB-CG1 4.42Å; R375-V433 WeakPolarHBondContact CD-O 3.44Å; R375-V433 HydrophobicContact CG-CG1 3.77Å; R375-V433 PolarHBondContact NH1-O 3.18Å; R375-H435 HydrophobicContact CB-CB 3.67Å; R375-H435 PolarHBondContact N-ND1 3.26Å
376	Y	98.2	Very high	96.2	Very high	19 Å²	19	38.2 Å²	38.2	8%	0.075	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	162.3	168	-72.7	3.2	0	0	0	110.8	T208 I209 E374 S386 Y387 T389 Q441	T208-Y376 VanDerWaalsContact O-CA 3.31Å; T208-Y376 WeakPolarHBondContact O-CA 3.39Å; T208-Y376 WeakPolarHBondContact O-CB 3.37Å; I209-Y376 HydrophobicContact CB-CE1 4.35Å; I209-Y376 HydrophobicContact CB-CE2 4.3Å; I209-Y376 HydrophobicContact CD1-CE2 4.45Å; I209-Y376 HydrophobicContact CG1-CD2 3.84Å; I209-Y376 HydrophobicContact CG1-CE2 3.76Å; I209-Y376 HydrophobicContact CG1-CG 4.31Å; I209-Y376 HydrophobicContact CG2-CE1 3.94Å; I209-Y376 HydrophobicContact CG2-CE2 4Å; I209-Y376 WeakPolarHBondContact CG2-OH 3.49Å; E374-Y376 HydrophobicContact CG-CE1 4.05Å; Y376-S386 CarbonylContact O-C 3.38Å; Y376-S386 WeakPolarHBondContact O-CA 3.22Å; Y376-Y387 VanDerWaalsContact CB-CZ 3.48Å; Y376-Y387 HydrophobicContact CD2-CE2 4.31Å; Y376-Y387 PolarHBondContact N-O 3.03Å; Y376-Y387 PolarHBondContact O-N 3.05Å; Y376-T389 HydrophobicContact CD1-CG2 3.73Å; Y376-T389 HydrophobicContact CD2-CG2 3.47Å; Y376-T389 VanDerWaalsContact CD2-CG2 3.47Å; Y376-T389 HydrophobicContact CE1-CG2 3.85Å; Y376-T389 HydrophobicContact CE2-CG2 3.63Å; Y376-T389 HydrophobicContact CG-CG2 3.52Å; Y376-Q441 HydrophobicContact CE2-CG 4.29Å
377	G	97.9	Very high	96.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	148.6	174.5	0	0	0	0	0	111.9	F207 T208	F207-G377 WeakPolarHBondContact CA-O 3.26Å; T208-G377 PolarHBondContact N-O 2.98Å; T208-G377 PolarHBondContact O-N 3.01Å
378	Y	97.6	Very high	96.4	Very high	81 Å²	81	32 Å²	32	32%	0.318	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	119.4	169.3	-178	-96.7	0	0	0	110.2	D206 F207 G384 Y385 M420	D206-Y378 HydrophobicContact CB-CD2 4.2Å; D206-Y378 HydrophobicContact CB-CE2 3.87Å; D206-Y378 CarbonylContact O-C 3.48Å; D206-Y378 VanDerWaalsContact O-CA 3.29Å; D206-Y378 WeakPolarHBondContact O-CA 3.46Å; F207-Y378 HydrophobicContact CD1-CD2 4.05Å; F207-Y378 HydrophobicContact CD2-CD2 4.47Å; F207-Y378 AromaticContact CE1-CD2 3.66Å; F207-Y378 HydrophobicContact CE1-CD2 3.66Å; F207-Y378 HydrophobicContact CE1-CE2 4.27Å; F207-Y378 HydrophobicContact CE2-CD2 4.1Å; F207-Y378 HydrophobicContact CE2-CE2 4.01Å; F207-Y378 HydrophobicContact CG-CD2 4.45Å; F207-Y378 AromaticContact CZ-CD2 3.68Å; F207-Y378 HydrophobicContact CZ-CD2 3.68Å; F207-Y378 AromaticContact CZ-CE2 3.81Å; F207-Y378 HydrophobicContact CZ-CE2 3.81Å; Y378-G384 CarbonylContact O-C 3.48Å; Y378-G384 WeakPolarHBondContact O-CA 3.28Å; Y378-Y385 AromaticContact CD1-CE1 3.75Å; Y378-Y385 HydrophobicContact CD1-CE1 3.75Å; Y378-Y385 AromaticContact CD1-CZ 3.96Å; Y378-Y385 PolarHBondContact N-O 2.83Å; Y378-Y385 PolarHBondContact O-N 3.46Å; Y378-M420 HydrophobicContact CD1-CE 4.32Å; Y378-M420 HydrophobicContact CD2-CE 3.62Å; Y378-M420 HydrophobicContact CE2-CE 4.09Å; Y378-M420 HydrophobicContact CG-CE 3.72Å
379	G	96	Very high	96.4	Very high	12 Å²	12	29.1 Å²	29.1	12%	0.124	14%	0.144	C	C	.	.	S	Bend	trans	68	29.9	176.9	0	0	0	0	0	114.4	D206 S381 R382 G384	D206-G379 PolarHBondContact O-N 2.79Å; G379-S381 PolarHBondContact O-N 2.88Å; G379-R382 CarbonylContact O-C 3.56Å; G379-R382 PolarHBondContact O-N 2.92Å; G379-G384 VanDerWaalsContact O-CA 3.28Å; G379-G384 WeakPolarHBondContact O-CA 3.45Å; G379-G384 PolarHBondContact O-N 2.62Å
380	L	94.8	Very high	96.3	Very high	6 Å²	6	28 Å²	28	3%	0.031	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.8	-170.3	-62.7	-172.3	0	0	0	115.2	Y98 W102 P106 T208 R382	Y98-L380 WeakPolarHBondContact CE1-O 3.48Å; Y98-L380 VanDerWaalsContact OH-CA 3.3Å; Y98-L380 WeakPolarHBondContact OH-CA 3.49Å; Y98-L380 PolarHBondContact OH-O 3.21Å; W102-L380 HydrophobicContact CZ2-CD1 3.74Å; P106-L380 HydrophobicContact CG-CB 4.37Å; P106-L380 VanDerWaalsContact CG-O 3.31Å; P106-L380 WeakPolarHBondContact CG-O 3.43Å; T208-L380 HydrophobicContact CG2-CD1 4.41Å; L380-R382 VanDerWaalsContact C-N 3.34Å
381	S	89.2	Confident	96.3	Very high	51 Å²	51	28 Å²	28	36%	0.357	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-1.8	172.4	-54	0	0	0	0	113.7	P203 G379	P203-S381 WeakPolarHBondContact CD-OG 3.23Å; G379-S381 PolarHBondContact O-N 2.88Å
382	R	89.4	Confident	96.2	Very high	179 Å²	179	28 Å²	28	68%	0.675	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-136.6	43.2	-175.4	-60.3	-179	-177.5	167.1	3.4	111.4	G379 L380 G384	G379-R382 CarbonylContact O-C 3.56Å; G379-R382 PolarHBondContact O-N 2.92Å; L380-R382 VanDerWaalsContact C-N 3.34Å; R382-G384 PolarHBondContact O-N 3.22Å
383	D	88.4	Confident	96.2	Very high	138 Å²	138	28 Å²	28	74%	0.738	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	34.1	-178.7	-59.7	-44.1	0	0	0	114	Y98	Y98-D383 HydrophobicContact CE2-CB 4.39Å; Y98-D383 WeakPolarHBondContact OH-CA 3.18Å
384	G	95	Very high	96.2	Very high	14 Å²	14	28 Å²	28	14%	0.144	14%	0.136	C	C	.	.			trans	-71.5	-165	174.4	0	0	0	0	0	113.9	Y98 Y378 G379 R382	Y98-G384 PolarHBondContact OH-N 2.64Å; Y98-G384 PolarHBondContact OH-O 3.09Å; Y378-G384 CarbonylContact O-C 3.48Å; Y378-G384 WeakPolarHBondContact O-CA 3.28Å; G379-G384 VanDerWaalsContact O-CA 3.28Å; G379-G384 WeakPolarHBondContact O-CA 3.45Å; G379-G384 PolarHBondContact O-N 2.62Å; R382-G384 PolarHBondContact O-N 3.22Å
385	Y	97	Very high	96.3	Very high	31 Å²	31	27.5 Å²	27.5	12%	0.122	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	158.9	-170.5	57.4	-87.6	0	0	0	113	Y378 Y387 M420 M424 T427	Y378-Y385 AromaticContact CD1-CE1 3.75Å; Y378-Y385 HydrophobicContact CD1-CE1 3.75Å; Y378-Y385 AromaticContact CD1-CZ 3.96Å; Y378-Y385 PolarHBondContact N-O 2.83Å; Y378-Y385 PolarHBondContact O-N 3.46Å; Y385-Y387 HydrophobicContact CE2-CD1 4.48Å; Y385-M420 HydrophobicContact CE2-CB 4.34Å; Y385-M420 VanDerWaalsContact CE2-O 3.26Å; Y385-M420 WeakPolarHBondContact CE2-O 3.42Å; Y385-M424 HydrophobicContact CD1-CB 4.44Å; Y385-M424 HydrophobicContact CD2-CB 4.25Å; Y385-M424 HydrophobicContact CE1-CB 4.3Å; Y385-M424 HydrophobicContact CE1-CE 3.74Å; Y385-M424 HydrophobicContact CE2-CB 4.09Å; Y385-M424 HydrophobicContact CG-CB 4.42Å; Y385-T427 WeakPolarHBondContact CB-OG1 3.31Å
386	S	97.6	Very high	96.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	153.1	173.3	-56	0	0	0	0	110.4	D99 W102 Y376 G423	D99-S386 WeakPolarHBondContact OD2-CB 3.35Å; D99-S386 PolarHBondContact OD2-OG 2.83Å; W102-S386 PolarHBondContact NE1-OG 3.4Å; Y376-S386 CarbonylContact O-C 3.38Å; Y376-S386 WeakPolarHBondContact O-CA 3.22Å; S386-G423 CarbonylContact O-C 3.57Å; S386-G423 WeakPolarHBondContact O-CA 3.46Å
387	Y	98.3	Very high	96.3	Very high	13 Å²	13	25.7 Å²	25.7	5%	0.051	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	154	172.4	62	-82.1	0	0	0	111.3	R375 Y376 Y385 T389 D419 M420	R375-Y387 CarbonylContact C-O 3.59Å; R375-Y387 WeakPolarHBondContact CA-O 3.18Å; Y376-Y387 VanDerWaalsContact CB-CZ 3.48Å; Y376-Y387 HydrophobicContact CD2-CE2 4.31Å; Y376-Y387 PolarHBondContact N-O 3.03Å; Y376-Y387 PolarHBondContact O-N 3.05Å; Y385-Y387 HydrophobicContact CE2-CD1 4.48Å; Y387-T389 HydrophobicContact CE2-CG2 4.42Å; Y387-D419 WeakPolarHBondContact CB-O 3.49Å; Y387-D419 HydrophobicContact CD2-CB 3.98Å; Y387-M420 HydrophobicContact CD1-CG 4.43Å; Y387-M420 HydrophobicContact CD2-CG 4.33Å; Y387-M420 HydrophobicContact CE1-CG 4.25Å; Y387-M420 HydrophobicContact CE2-CG 4.11Å; Y387-M420 HydrophobicContact CG-CG 4.47Å
388	I	98.5	Very high	96.4	Very high	6 Å²	6	27 Å²	27	3%	0.031	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128	169.8	-57.4	-54.3	0	0	0	108.2	G373 E374 R375 M394 D419 V433 T434	G373-I388 VanDerWaalsContact CA-CG2 3.49Å; E374-I388 CarbonylContact O-C 3.59Å; E374-I388 VanDerWaalsContact O-CA 3.28Å; E374-I388 WeakPolarHBondContact O-CA 2.9Å; R375-I388 HydrophobicContact CB-CD1 4.18Å; I388-M394 HydrophobicContact CB-CG 4.22Å; I388-M394 HydrophobicContact CG2-CB 4.26Å; I388-M394 HydrophobicContact CG2-CG 3.87Å; I388-D419 VanDerWaalsContact O-CB 3.23Å; I388-D419 WeakPolarHBondContact O-CB 3.41Å; I388-V433 HydrophobicContact CD1-CG1 3.35Å; I388-V433 HydrophobicContact CG1-CG1 3.81Å; I388-T434 VanDerWaalsContact CD1-O 3.32Å; I388-T434 WeakPolarHBondContact CD1-O 3.16Å
389	T	98.3	Very high	96.4	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	13%	0.128	C	C	.	.			trans	-62.3	136.4	-179.2	63.6	0	0	0	0	111.3	E374 Y376 Y387 M394 Q441	E374-T389 PolarHBondContact O-N 3.01Å; E374-T389 PolarHBondContact OE2-OG1 3.33Å; Y376-T389 HydrophobicContact CD1-CG2 3.73Å; Y376-T389 HydrophobicContact CD2-CG2 3.47Å; Y376-T389 VanDerWaalsContact CD2-CG2 3.47Å; Y376-T389 HydrophobicContact CE1-CG2 3.85Å; Y376-T389 HydrophobicContact CE2-CG2 3.63Å; Y376-T389 HydrophobicContact CG-CG2 3.52Å; Y387-T389 HydrophobicContact CE2-CG2 4.42Å; T389-M394 WeakPolarHBondContact O-CG 3.16Å; T389-Q441 VanDerWaalsContact CB-OE1 3.28Å; T389-Q441 HydrophobicContact CG2-CB 4.12Å; T389-Q441 HydrophobicContact CG2-CG 4.18Å; T389-Q441 PolarHBondContact OG1-OE1 3.26Å
390	G	97.1	Very high	96.5	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.021	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-45.9	-177.7	0	0	0	0	0	113.5	G393 D419	G390-G393 PolarHBondContact O-N 2.79Å; G390-G393 VanDerWaalsContact O-N 3.13Å; G390-D419 PolarHBondContact N-OD2 2.91Å
391	G	96.9	Very high	96.7	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.01	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-33.2	-174.5	0	0	0	0	0	113.7	D347 T350 G393 Q441 H461	D347-G391 WeakPolarHBondContact OD2-CA 2.84Å; T350-G391 WeakPolarHBondContact CG2-O 3.34Å; T350-G391 PolarHBondContact OG1-O 2.87Å; G391-G393 PolarHBondContact O-N 2.88Å; G391-Q441 VanDerWaalsContact C-OE1 3.29Å; G391-H461 WeakPolarHBondContact CA-CD2 3.04Å; G391-H461 WeakPolarHBondContact O-CB 3.23Å; G391-H461 PolarHBondContact O-CD2 3.24Å; G391-H461 VanDerWaalsContact O-CD2 3.31Å
392	G	97.4	Very high	97.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.3	170.8	0	0	0	0	0	112.7	F439 H440 S459	G392-F439 WeakPolarHBondContact O-CD1 3.34Å; G392-H440 WeakPolarHBondContact CA-O 3.3Å; G392-S459 VanDerWaalsContact O-CB 3.24Å; G392-S459 WeakPolarHBondContact O-CB 3.34Å; G392-S459 PolarHBondContact O-OG 3.47Å
393	G	98.4	Very high	97.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.			trans	96.3	125.5	-177.4	0	0	0	0	0	111.4	I345 G390 G391 F439	I345-G393 WeakPolarHBondContact O-CA 3.35Å; G390-G393 PolarHBondContact O-N 2.79Å; G390-G393 VanDerWaalsContact O-N 3.13Å; G391-G393 PolarHBondContact O-N 2.88Å; G393-F439 WeakPolarHBondContact O-CD1 3.4Å
394	M	98.8	Very high	98.1	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.2	-178.4	-58.3	175.6	-81.1	0	0	110.3	I345 I388 T389 F396 D419 L422	I345-M394 HydrophobicContact CB-CE 4.16Å; I345-M394 HydrophobicContact CG2-CE 4Å; I345-M394 PolarHBondContact N-O 3.19Å; I345-M394 PolarHBondContact O-N 3.42Å; I388-M394 HydrophobicContact CB-CG 4.22Å; I388-M394 HydrophobicContact CG2-CB 4.26Å; I388-M394 HydrophobicContact CG2-CG 3.87Å; T389-M394 WeakPolarHBondContact O-CG 3.16Å; M394-F396 HydrophobicContact CB-CD2 4.41Å; M394-F396 HydrophobicContact CB-CE2 3.52Å; M394-F396 HydrophobicContact CB-CZ 3.91Å; M394-F396 HydrophobicContact CG-CE2 4.48Å; M394-F396 HydrophobicContact SD-CE2 4.3Å; M394-F396 HydrophobicContact SD-CZ 4.24Å; M394-D419 HydrophobicContact SD-CB 4.32Å; M394-L422 HydrophobicContact SD-CD1 4.11Å
395	V	98.9	Very high	98.2	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.7	175.9	-173.6	0	0	0	0	110.6	W342 L343 L344 L357 L361 S371 V372 F439	W342-V395 HydrophobicContact CE3-CG1 4.06Å; L343-V395 CarbonylContact O-C 3.45Å; L343-V395 WeakPolarHBondContact O-CA 3.34Å; L344-V395 HydrophobicContact CD1-CG2 3.68Å; L357-V395 HydrophobicContact CD1-CG2 3.83Å; L357-V395 HydrophobicContact CD2-CG2 4.43Å; L361-V395 HydrophobicContact CD1-CG1 4.23Å; L361-V395 HydrophobicContact CD2-CG1 3.75Å; S371-V395 WeakPolarHBondContact CA-O 3.3Å; V372-V395 HydrophobicContact CG1-CB 3.75Å; V372-V395 HydrophobicContact CG1-CG1 4.23Å; V372-V395 HydrophobicContact CG1-CG2 4.49Å; V372-V395 PolarHBondContact N-O 3.21Å; V372-V395 PolarHBondContact O-N 2.73Å; V395-F439 HydrophobicContact CG2-CE1 4.13Å; V395-F439 HydrophobicContact CG2-CZ 4.11Å
396	F	98.9	Very high	98.2	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.009	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.7	177.5	-57.1	-79.8	0	0	0	110.7	L343 I345 V370 M394 A400 V401 I404 L422 L426	L343-F396 PolarHBondContact N-O 3.36Å; L343-F396 PolarHBondContact O-N 2.97Å; I345-F396 HydrophobicContact CD1-CD2 4.39Å; I345-F396 HydrophobicContact CD1-CE2 4.2Å; V370-F396 WeakPolarHBondContact O-CA 3.48Å; M394-F396 HydrophobicContact CB-CD2 4.41Å; M394-F396 HydrophobicContact CB-CE2 3.52Å; M394-F396 HydrophobicContact CB-CZ 3.91Å; M394-F396 HydrophobicContact CG-CE2 4.48Å; M394-F396 HydrophobicContact SD-CE2 4.3Å; M394-F396 HydrophobicContact SD-CZ 4.24Å; F396-A400 HydrophobicContact CB-CB 4.42Å; F396-V401 HydrophobicContact CB-CG2 3.68Å; F396-V401 HydrophobicContact CG-CG2 4.41Å; F396-I404 HydrophobicContact CD1-CD1 4.32Å; F396-I404 HydrophobicContact CE1-CD1 4.38Å; F396-L422 HydrophobicContact CE2-CD1 4.39Å; F396-L422 HydrophobicContact CZ-CD1 3.97Å; F396-L426 HydrophobicContact CE1-CD1 4.46Å
397	S	98.8	Very high	98.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	155.2	161.5	71.6	0	0	0	0	110	P341 E368 V370 V399 A400 V401	P341-S397 CarbonylContact O-C 3.59Å; P341-S397 WeakPolarHBondContact O-CA 3.22Å; E368-S397 WeakPolarHBondContact O-CB 3.46Å; E368-S397 PolarHBondContact O-OG 3.25Å; V370-S397 PolarHBondContact N-OG 2.87Å; V370-S397 VanDerWaalsContact N-OG 3.12Å; V370-S397 PolarHBondContact O-N 2.91Å; S397-V399 PolarHBondContact O-N 3.11Å; S397-A400 WeakPolarHBondContact O-CB 3.31Å; S397-A400 PolarHBondContact O-N 3.03Å; S397-A400 PolarHBondContact OG-N 3.25Å; S397-A400 VanDerWaalsContact OG-N 3.11Å; S397-V401 PolarHBondContact O-N 3.46Å
398	R	98.6	Very high	97.9	Very high	28 Å²	28	22.7 Å²	22.7	11%	0.106	15%	0.154	C	C	.	.	H	α-helix	trans	-56.1	-37	173.9	-177.7	173.3	-67.6	-84.1	-1.3	112.3	F332 T338 A340 P341 V401 Q402	F332-R398 HydrophobicContact CE1-CB 3.96Å; F332-R398 HydrophobicContact CE1-CG 4.19Å; F332-R398 HydrophobicContact CZ-CB 4.2Å; F332-R398 PolarHBondContact O-NH1 2.87Å; T338-R398 PolarHBondContact O-NH2 2.94Å; A340-R398 VanDerWaalsContact O-CZ 3.28Å; A340-R398 PolarHBondContact O-NE 2.81Å; A340-R398 PolarHBondContact O-NH2 2.78Å; P341-R398 PolarHBondContact O-N 3.19Å; R398-V401 PolarHBondContact O-N 3.05Å; R398-Q402 WeakPolarHBondContact O-CB 3.39Å; R398-Q402 VanDerWaalsContact O-CG 3.3Å; R398-Q402 WeakPolarHBondContact O-CG 3.38Å; R398-Q402 PolarHBondContact O-N 3.17Å
399	V	98.4	Very high	97.8	Very high	42 Å²	42	23.5 Å²	23.5	26%	0.255	16%	0.16	S	C	.	.	H	α-helix	trans	-63.3	-42.7	175.2	178.1	0	0	0	0	111.2	A369 S397 V401 Q402 N403	A369-V399 HydrophobicContact CB-CG1 4.27Å; S397-V399 PolarHBondContact O-N 3.11Å; V399-V401 PolarHBondContact O-N 2.85Å; V399-Q402 PolarHBondContact O-N 3.31Å; V399-N403 WeakPolarHBondContact O-CB 3.32Å; V399-N403 VanDerWaalsContact O-CG 3.29Å; V399-N403 PolarHBondContact O-N 2.8Å
400	A	98.6	Very high	97.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-45.5	175	0	0	0	0	0	111.8	A369 V370 F396 S397 Q402 N403 I404	A369-A400 HydrophobicContact CB-CB 4.19Å; V370-A400 WeakPolarHBondContact O-CB 3.44Å; F396-A400 HydrophobicContact CB-CB 4.42Å; S397-A400 WeakPolarHBondContact O-CB 3.31Å; S397-A400 PolarHBondContact O-N 3.03Å; S397-A400 PolarHBondContact OG-N 3.25Å; S397-A400 VanDerWaalsContact OG-N 3.11Å; A400-Q402 PolarHBondContact O-N 2.98Å; A400-N403 PolarHBondContact O-N 3.12Å; A400-I404 WeakPolarHBondContact O-CD1 3.45Å; A400-I404 VanDerWaalsContact O-CG1 3.28Å; A400-I404 WeakPolarHBondContact O-CG1 3.38Å; A400-I404 PolarHBondContact O-N 3.13Å
401	V	98.7	Very high	97.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.3	-44.1	177.7	-179.9	0	0	0	0	111.5	L329 F332 A333 L343 F396 S397 R398 V399 N403 I404 L405	L329-V401 HydrophobicContact CB-CG1 3.89Å; L329-V401 HydrophobicContact CD2-CG1 3.89Å; L329-V401 HydrophobicContact CD2-CG2 3.96Å; L329-V401 HydrophobicContact CG-CG1 4.39Å; F332-V401 HydrophobicContact CD1-CB 4.24Å; F332-V401 HydrophobicContact CD1-CG1 4.19Å; F332-V401 HydrophobicContact CD1-CG2 3.99Å; F332-V401 HydrophobicContact CE1-CB 4.47Å; F332-V401 HydrophobicContact CE1-CG2 4.08Å; A333-V401 HydrophobicContact CB-CG1 4.05Å; L343-V401 HydrophobicContact CD2-CG2 3.93Å; F396-V401 HydrophobicContact CB-CG2 3.68Å; F396-V401 HydrophobicContact CG-CG2 4.41Å; S397-V401 PolarHBondContact O-N 3.46Å; R398-V401 PolarHBondContact O-N 3.05Å; V399-V401 PolarHBondContact O-N 2.85Å; V401-N403 VanDerWaalsContact C-N 3.35Å; V401-N403 PolarHBondContact O-N 3.37Å; V401-I404 PolarHBondContact O-N 3.36Å; V401-L405 HydrophobicContact CG1-CD1 4.07Å; V401-L405 HydrophobicContact CG1-CG 4.5Å; V401-L405 WeakPolarHBondContact O-CG 3.33Å; V401-L405 PolarHBondContact O-N 3.26Å; V401-L405 VanDerWaalsContact O-N 3.08Å
402	Q	98.4	Very high	97.1	Very high	90 Å²	90	38.1 Å²	38.1	42%	0.421	23%	0.23	S	C	.	.	H	α-helix	trans	-61.9	-42.5	177.1	-74.1	171.1	-19.5	0	0	111.7	R398 V399 A400 L405 A406	R398-Q402 WeakPolarHBondContact O-CB 3.39Å; R398-Q402 VanDerWaalsContact O-CG 3.3Å; R398-Q402 WeakPolarHBondContact O-CG 3.38Å; R398-Q402 PolarHBondContact O-N 3.17Å; V399-Q402 PolarHBondContact O-N 3.31Å; A400-Q402 PolarHBondContact O-N 2.98Å; Q402-L405 PolarHBondContact O-N 3.28Å; Q402-A406 VanDerWaalsContact O-CB 3.23Å; Q402-A406 WeakPolarHBondContact O-CB 3.34Å; Q402-A406 PolarHBondContact O-N 2.58Å
403	N	98.4	Very high	96.9	Very high	66 Å²	66	40.6 Å²	40.6	35%	0.353	25%	0.247	S	C	.	.	H	α-helix	trans	-65	-41.6	176.9	-71	-6.2	0	0	0	112.3	V399 A400 V401 L405 A406 G407 L431	V399-N403 WeakPolarHBondContact O-CB 3.32Å; V399-N403 VanDerWaalsContact O-CG 3.29Å; V399-N403 PolarHBondContact O-N 2.8Å; A400-N403 PolarHBondContact O-N 3.12Å; V401-N403 VanDerWaalsContact C-N 3.35Å; V401-N403 PolarHBondContact O-N 3.37Å; N403-L405 VanDerWaalsContact C-N 3.35Å; N403-L405 PolarHBondContact O-N 3.4Å; N403-A406 PolarHBondContact O-N 2.99Å; N403-G407 WeakPolarHBondContact O-CA 3.32Å; N403-G407 PolarHBondContact O-N 2.97Å; N403-L431 HydrophobicContact CB-CD1 3.86Å
404	I	98.3	Very high	96.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.8	-47.9	175.6	-71.4	161.4	0	0	0	110.6	F326 L329 F396 A400 V401 C409 L422 L426	F326-I404 HydrophobicContact CE1-CG2 4.1Å; F326-I404 HydrophobicContact CZ-CG2 4.37Å; L329-I404 HydrophobicContact CD1-CG2 4.03Å; F396-I404 HydrophobicContact CD1-CD1 4.32Å; F396-I404 HydrophobicContact CE1-CD1 4.38Å; A400-I404 WeakPolarHBondContact O-CD1 3.45Å; A400-I404 VanDerWaalsContact O-CG1 3.28Å; A400-I404 WeakPolarHBondContact O-CG1 3.38Å; A400-I404 PolarHBondContact O-N 3.13Å; V401-I404 PolarHBondContact O-N 3.36Å; I404-C409 HydrophobicContact CG2-CB 4.22Å; I404-C409 WeakPolarHBondContact O-CB 3.33Å; I404-L422 HydrophobicContact CD1-CD2 4.42Å; I404-L422 HydrophobicContact CG2-CD2 4.15Å; I404-L426 HydrophobicContact CD1-CD2 4.02Å; I404-L426 HydrophobicContact CG1-CD2 4.06Å
405	L	98.1	Very high	96.5	Very high	48 Å²	48	45.6 Å²	45.6	25%	0.251	28%	0.278	S	S	.	.	H	α-helix	trans	-71.3	-41.1	-177.9	-66.2	174.3	0	0	0	112.5	F326 L329 R330 A333 V401 Q402 N403 G407	F326-L405 HydrophobicContact CD1-CD2 4.29Å; L329-L405 HydrophobicContact CB-CD1 4.48Å; L329-L405 HydrophobicContact CB-CD2 4.19Å; R330-L405 HydrophobicContact CG-CD1 4.29Å; R330-L405 HydrophobicContact CG-CD2 3.75Å; A333-L405 HydrophobicContact CB-CD1 3.46Å; A333-L405 VanDerWaalsContact CB-CD1 3.46Å; V401-L405 HydrophobicContact CG1-CD1 4.07Å; V401-L405 HydrophobicContact CG1-CG 4.5Å; V401-L405 WeakPolarHBondContact O-CG 3.33Å; V401-L405 PolarHBondContact O-N 3.26Å; V401-L405 VanDerWaalsContact O-N 3.08Å; Q402-L405 PolarHBondContact O-N 3.28Å; N403-L405 VanDerWaalsContact C-N 3.35Å; N403-L405 PolarHBondContact O-N 3.4Å; L405-G407 VanDerWaalsContact C-N 3.29Å; L405-G407 PolarHBondContact O-N 3.08Å
406	A	97.8	Very high	96.4	Very high	89 Å²	89	46.1 Å²	46.1	74%	0.736	28%	0.282	S	S	*	.	H	α-helix	trans	-70.1	-27.7	177.5	0	0	0	0	0	112.5	Q402 N403 G408	Q402-A406 VanDerWaalsContact O-CB 3.23Å; Q402-A406 WeakPolarHBondContact O-CB 3.34Å; Q402-A406 PolarHBondContact O-N 2.58Å; N403-A406 PolarHBondContact O-N 2.99Å; A406-G408 PolarHBondContact O-N 2.81Å
407	G	96.6	Very high	96.3	Very high	39 Å²	39	48.8 Å²	48.8	40%	0.402	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	0.7	179	0	0	0	0	0	115.3	N403 L405 C409	N403-G407 WeakPolarHBondContact O-CA 3.32Å; N403-G407 PolarHBondContact O-N 2.97Å; L405-G407 VanDerWaalsContact C-N 3.29Å; L405-G407 PolarHBondContact O-N 3.08Å; G407-C409 VanDerWaalsContact C-N 3.28Å; G407-C409 PolarHBondContact O-N 3.05Å
408	G	93.2	Very high	96.2	Very high	59 Å²	59	49.2 Å²	49.2	61%	0.608	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	15.4	178.4	0	0	0	0	0	114.3	A406 S410	A406-G408 PolarHBondContact O-N 2.81Å; G408-S410 PolarHBondContact O-N 2.96Å
409	C	95.6	Very high	96.1	Very high	24 Å²	24	49 Å²	49	16%	0.162	30%	0.303	C	S	.	.			trans	-64.8	136.3	177.6	-62.9	0	0	0	0	111.2	F326 I404 G407 C425	F326-C409 HydrophobicContact CE1-CB 3.92Å; F326-C409 WeakPolarHBondContact CE1-O 3.45Å; F326-C409 HydrophobicContact CZ-CB 3.92Å; I404-C409 HydrophobicContact CG2-CB 4.22Å; I404-C409 WeakPolarHBondContact O-CB 3.33Å; G407-C409 VanDerWaalsContact C-N 3.28Å; G407-C409 PolarHBondContact O-N 3.05Å; C409-C425 HydrophobicContact CB-CB 3.72Å; C409-C425 WeakPolarHBondContact CB-SG 3.41Å; C409-C425 WeakPolarHBondContact SG-CB 3.44Å; C409-C425 CovalentContact SG-SG 2.01Å; C409-C425 PolarHBondContact SG-SG 3.15Å
410	S	91.7	Very high	96.1	Very high	82 Å²	82	48.6 Å²	48.6	57%	0.573	30%	0.299	S	S	*	.			trans	-151.2	159.8	-177.3	55.2	0	0	0	0	111.3	G408	G408-S410 PolarHBondContact O-N 2.96Å
411	C	95.1	Very high	96.1	Very high	21 Å²	21	49.7 Å²	49.7	14%	0.142	31%	0.305	C	S	.	.			trans	-77.1	135.6	177.3	-60.9	0	0	0	0	110.8	C322 E323 F326 S413	C322-C411 HydrophobicContact CB-CB 3.81Å; C322-C411 WeakPolarHBondContact CB-SG 3.35Å; C322-C411 PolarHBondContact O-SG 2.92Å; C322-C411 VanDerWaalsContact O-SG 3.37Å; C322-C411 WeakPolarHBondContact SG-CA 3.44Å; C322-C411 WeakPolarHBondContact SG-CB 3.11Å; C322-C411 CovalentContact SG-SG 2.03Å; C322-C411 PolarHBondContact SG-SG 2.78Å; E323-C411 PolarHBondContact N-SG 3.39Å; E323-C411 WeakPolarHBondContact OE2-CB 3.4Å; F326-C411 WeakPolarHBondContact CD2-SG 3.3Å; C411-S413 VanDerWaalsContact C-N 3.35Å; C411-S413 WeakPolarHBondContact CB-O 3.12Å
412	R	90.4	Very high	96	Very high	208 Å²	208	49.9 Å²	49.9	79%	0.785	31%	0.306	S	S	*	.	S	Bend	trans	-69	-37.8	170.9	-65.7	-176.6	-177.4	-177.7	1.1	111.6	M424	R412-M424 PolarHBondContact NH2-SD 3.12Å
413	S	94.1	Very high	96	Very high	51 Å²	51	45.6 Å²	45.6	36%	0.357	29%	0.286	S	S	.	.	S	Bend	trans	-145.7	157.6	171.5	64.1	0	0	0	0	108.5	C411 D415 A416	C411-S413 VanDerWaalsContact C-N 3.35Å; C411-S413 WeakPolarHBondContact CB-O 3.12Å; S413-D415 VanDerWaalsContact CB-OD1 3.25Å; S413-D415 WeakPolarHBondContact CB-OD1 3.41Å; S413-D415 PolarHBondContact O-N 2.87Å; S413-D415 PolarHBondContact OG-OD1 2.75Å; S413-A416 WeakPolarHBondContact O-CB 3.4Å; S413-A416 PolarHBondContact O-N 2.9Å; S413-A416 PolarHBondContact OG-N 2.74Å
414	S	92.6	Very high	96	Very high	54 Å²	54	45.3 Å²	45.3	38%	0.378	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-29.3	-178.2	53.2	0	0	0	0	113.3	C322 E323	C322-S414 PolarHBondContact N-O 2.85Å; E323-S414 PolarHBondContact N-O 2.77Å
415	D	94.7	Very high	95.9	Very high	52 Å²	52	45.7 Å²	45.7	28%	0.278	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	8.2	-178.1	72.1	-29.6	0	0	0	114.2	T317 G320 S413	T317-D415 HydrophobicContact CG2-CB 3.8Å; G320-D415 CarbonylContact C-O 3.02Å; G320-D415 WeakPolarHBondContact CA-O 3.32Å; G320-D415 PolarHBondContact N-O 2.72Å; G320-D415 VanDerWaalsContact N-O 3.07Å; G320-D415 WeakPolarHBondContact O-CA 3.4Å; S413-D415 VanDerWaalsContact CB-OD1 3.25Å; S413-D415 WeakPolarHBondContact CB-OD1 3.41Å; S413-D415 PolarHBondContact O-N 2.87Å; S413-D415 PolarHBondContact OG-OD1 2.75Å
416	A	96.7	Very high	95.9	Very high	12 Å²	12	43.6 Å²	43.6	10%	0.099	28%	0.275	C	S	.	.	S	Bend	trans	-62.4	149.1	174.6	0	0	0	0	0	111.1	G320 H321 C322 S413 D418 V421	G320-A416 CarbonylContact C-O 3.4Å; G320-A416 WeakPolarHBondContact CA-O 3.39Å; H321-A416 PolarHBondContact N-O 3.27Å; C322-A416 HydrophobicContact CB-CB 4.01Å; C322-A416 VanDerWaalsContact CB-O 3.32Å; C322-A416 WeakPolarHBondContact CB-O 3.25Å; C322-A416 PolarHBondContact N-O 3.21Å; S413-A416 WeakPolarHBondContact O-CB 3.4Å; S413-A416 PolarHBondContact O-N 2.9Å; S413-A416 PolarHBondContact OG-N 2.74Å; A416-D418 PolarHBondContact O-N 2.96Å; A416-D418 VanDerWaalsContact O-N 3.15Å; A416-V421 HydrophobicContact CB-CG2 3.91Å
417	P	96.8	Very high	95.8	Very high	58 Å²	58	42 Å²	42	38%	0.377	26%	0.257	S	S	.	.			trans	-59.5	117.1	172.1	-20.4	32.1	0	0	0	109.9	M420 V421	P417-M420 HydrophobicContact CB-CB 4.22Å; P417-M420 HydrophobicContact CB-CG 4.16Å; P417-M420 HydrophobicContact CB-SD 4.23Å; P417-M420 HydrophobicContact CG-SD 4.4Å; P417-V421 VanDerWaalsContact O-CG2 3.29Å; P417-V421 WeakPolarHBondContact O-CG2 2.94Å; P417-V421 PolarHBondContact O-N 3.46Å; P417-V421 VanDerWaalsContact O-N 3.12Å
418	D	97.1	Very high	95.8	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.053	27%	0.27	C	S	.	.	H	α-helix	trans	-69.2	-41.4	-170.4	53.7	-37.9	0	0	0	112.2	K272 C322 T325 A416 V421 L422	K272-D418 IonicContact NZ-OD1 3.95Å; K272-D418 IonicContact NZ-OD2 3.84Å; K272-D418 PolarHBondContact NZ-OD2 3.42Å; C322-D418 HydrophobicContact CB-CB 4.41Å; T325-D418 HydrophobicContact CG2-CB 4.22Å; T325-D418 PolarHBondContact OG1-OD2 3.3Å; A416-D418 PolarHBondContact O-N 2.96Å; A416-D418 VanDerWaalsContact O-N 3.15Å; D418-V421 PolarHBondContact O-N 3.47Å; D418-L422 WeakPolarHBondContact O-CB 3.37Å; D418-L422 VanDerWaalsContact O-CG 3.29Å; D418-L422 WeakPolarHBondContact O-CG 3.29Å; D418-L422 PolarHBondContact O-N 2.85Å
419	D	97.8	Very high	95.9	Very high	24 Å²	24	45.5 Å²	45.5	13%	0.128	26%	0.256	C	S	.	.	H	α-helix	trans	-60.2	-48.2	176.4	54.9	-1.1	0	0	0	112.7	Y387 I388 G390 M394 L422 G423	Y387-D419 WeakPolarHBondContact CB-O 3.49Å; Y387-D419 HydrophobicContact CD2-CB 3.98Å; I388-D419 VanDerWaalsContact O-CB 3.23Å; I388-D419 WeakPolarHBondContact O-CB 3.41Å; G390-D419 PolarHBondContact N-OD2 2.91Å; M394-D419 HydrophobicContact SD-CB 4.32Å; D419-L422 PolarHBondContact O-N 3.29Å; D419-G423 PolarHBondContact O-N 2.92Å
420	M	97.7	Very high	95.9	Very high	33 Å²	33	47.1 Å²	47.1	16%	0.163	28%	0.276	C	S	.	.	H	α-helix	trans	-65.4	-40.5	177.8	-61.9	-174.4	74.5	0	0	112.1	F207 Y378 Y385 Y387 P417 L422 G423 M424	F207-M420 HydrophobicContact CE1-CE 3.94Å; F207-M420 HydrophobicContact CE1-SD 4.3Å; F207-M420 HydrophobicContact CZ-CE 4.21Å; Y378-M420 HydrophobicContact CD1-CE 4.32Å; Y378-M420 HydrophobicContact CD2-CE 3.62Å; Y378-M420 HydrophobicContact CE2-CE 4.09Å; Y378-M420 HydrophobicContact CG-CE 3.72Å; Y385-M420 HydrophobicContact CE2-CB 4.34Å; Y385-M420 VanDerWaalsContact CE2-O 3.26Å; Y385-M420 WeakPolarHBondContact CE2-O 3.42Å; Y387-M420 HydrophobicContact CD1-CG 4.43Å; Y387-M420 HydrophobicContact CD2-CG 4.33Å; Y387-M420 HydrophobicContact CE1-CG 4.25Å; Y387-M420 HydrophobicContact CE2-CG 4.11Å; Y387-M420 HydrophobicContact CG-CG 4.47Å; P417-M420 HydrophobicContact CB-CB 4.22Å; P417-M420 HydrophobicContact CB-CG 4.16Å; P417-M420 HydrophobicContact CB-SD 4.23Å; P417-M420 HydrophobicContact CG-SD 4.4Å; M420-L422 VanDerWaalsContact C-N 3.34Å; M420-G423 PolarHBondContact O-N 2.87Å; M420-M424 PolarHBondContact O-N 2.91Å
421	V	97.9	Very high	96.1	Very high	24 Å²	24	44.5 Å²	44.5	15%	0.145	26%	0.256	C	S	.	.	H	α-helix	trans	-63.1	-42.2	175.3	172.7	0	0	0	0	110.7	F326 A416 P417 D418 M424 C425	F326-V421 HydrophobicContact CE2-CG1 4.03Å; F326-V421 HydrophobicContact CZ-CG1 4.49Å; A416-V421 HydrophobicContact CB-CG2 3.91Å; P417-V421 VanDerWaalsContact O-CG2 3.29Å; P417-V421 WeakPolarHBondContact O-CG2 2.94Å; P417-V421 PolarHBondContact O-N 3.46Å; P417-V421 VanDerWaalsContact O-N 3.12Å; D418-V421 PolarHBondContact O-N 3.47Å; V421-M424 PolarHBondContact O-N 2.95Å; V421-C425 WeakPolarHBondContact O-CB 2.94Å; V421-C425 PolarHBondContact O-N 2.96Å
422	L	98.1	Very high	96	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-42.5	174.5	-72.5	174.5	0	0	0	111.8	T325 F326 L329 M394 F396 I404 D418 D419 M420 M424 C425 L426	T325-L422 HydrophobicContact CG2-CD1 3.86Å; F326-L422 HydrophobicContact CE2-CD2 3.98Å; F326-L422 HydrophobicContact CZ-CD2 4Å; L329-L422 HydrophobicContact CD1-CD2 3.85Å; M394-L422 HydrophobicContact SD-CD1 4.11Å; F396-L422 HydrophobicContact CE2-CD1 4.39Å; F396-L422 HydrophobicContact CZ-CD1 3.97Å; I404-L422 HydrophobicContact CD1-CD2 4.42Å; I404-L422 HydrophobicContact CG2-CD2 4.15Å; D418-L422 WeakPolarHBondContact O-CB 3.37Å; D418-L422 VanDerWaalsContact O-CG 3.29Å; D418-L422 WeakPolarHBondContact O-CG 3.29Å; D418-L422 PolarHBondContact O-N 2.85Å; D419-L422 PolarHBondContact O-N 3.29Å; M420-L422 VanDerWaalsContact C-N 3.34Å; L422-M424 PolarHBondContact O-N 3.21Å; L422-C425 WeakPolarHBondContact O-CB 3.43Å; L422-C425 PolarHBondContact O-N 3.24Å; L422-L426 WeakPolarHBondContact O-CB 3.41Å; L422-L426 VanDerWaalsContact O-CG 3.24Å; L422-L426 WeakPolarHBondContact O-CG 3.26Å; L422-L426 PolarHBondContact O-N 3.15Å
423	G	97.8	Very high	96.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-42.3	176.2	0	0	0	0	0	113.9	S386 D419 M420 C425 L426 T427	S386-G423 CarbonylContact O-C 3.57Å; S386-G423 WeakPolarHBondContact O-CA 3.46Å; D419-G423 PolarHBondContact O-N 2.92Å; M420-G423 PolarHBondContact O-N 2.87Å; G423-C425 VanDerWaalsContact C-N 3.32Å; G423-C425 PolarHBondContact O-N 3.41Å; G423-L426 PolarHBondContact O-N 3.32Å; G423-T427 WeakPolarHBondContact O-CB 3.42Å; G423-T427 PolarHBondContact O-N 2.82Å; G423-T427 PolarHBondContact O-OG1 3.48Å
424	M	97.2	Very high	96.5	Very high	59 Å²	59	32.9 Å²	32.9	29%	0.291	21%	0.206	S	C	.	.	H	α-helix	trans	-61.7	-42.2	174	-174.6	-176.4	-60.4	0	0	111.4	Y385 R412 M420 V421 L422 T428	Y385-M424 HydrophobicContact CD1-CB 4.44Å; Y385-M424 HydrophobicContact CD2-CB 4.25Å; Y385-M424 HydrophobicContact CE1-CB 4.3Å; Y385-M424 HydrophobicContact CE1-CE 3.74Å; Y385-M424 HydrophobicContact CE2-CB 4.09Å; Y385-M424 HydrophobicContact CG-CB 4.42Å; R412-M424 PolarHBondContact NH2-SD 3.12Å; M420-M424 PolarHBondContact O-N 2.91Å; V421-M424 PolarHBondContact O-N 2.95Å; L422-M424 PolarHBondContact O-N 3.21Å; M424-T428 WeakPolarHBondContact O-CB 3.29Å; M424-T428 PolarHBondContact O-N 3.33Å; M424-T428 PolarHBondContact O-OG1 3.37Å
425	C	97.6	Very high	96.8	Very high	9 Å²	9	32.8 Å²	32.8	6%	0.061	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	-51.4	175.3	167.4	0	0	0	0	111.7	C409 V421 L422 G423 T427 T428 L429	C409-C425 HydrophobicContact CB-CB 3.72Å; C409-C425 WeakPolarHBondContact CB-SG 3.41Å; C409-C425 WeakPolarHBondContact SG-CB 3.44Å; C409-C425 CovalentContact SG-SG 2.01Å; C409-C425 PolarHBondContact SG-SG 3.15Å; V421-C425 WeakPolarHBondContact O-CB 2.94Å; V421-C425 PolarHBondContact O-N 2.96Å; L422-C425 WeakPolarHBondContact O-CB 3.43Å; L422-C425 PolarHBondContact O-N 3.24Å; G423-C425 VanDerWaalsContact C-N 3.32Å; G423-C425 PolarHBondContact O-N 3.41Å; C425-T427 VanDerWaalsContact C-N 3.28Å; C425-T427 PolarHBondContact O-N 2.94Å; C425-T428 WeakPolarHBondContact O-CB 3.1Å; C425-T428 PolarHBondContact O-N 3.36Å; C425-T428 VanDerWaalsContact O-N 3.1Å; C425-L429 WeakPolarHBondContact O-CG 3.19Å; C425-L429 PolarHBondContact O-N 3.46Å
426	L	97.4	Very high	96.8	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-56.1	-44.9	178.7	-70.4	169.8	0	0	0	111	F396 I404 L422 G423 T428 L429 G430 L431 V433	F396-L426 HydrophobicContact CE1-CD1 4.46Å; I404-L426 HydrophobicContact CD1-CD2 4.02Å; I404-L426 HydrophobicContact CG1-CD2 4.06Å; L422-L426 WeakPolarHBondContact O-CB 3.41Å; L422-L426 VanDerWaalsContact O-CG 3.24Å; L422-L426 WeakPolarHBondContact O-CG 3.26Å; L422-L426 PolarHBondContact O-N 3.15Å; G423-L426 PolarHBondContact O-N 3.32Å; L426-T428 PolarHBondContact O-N 2.78Å; L426-L429 CarbonylContact O-C 3.34Å; L426-L429 PolarHBondContact O-N 3.49Å; L426-G430 PolarHBondContact O-N 3.42Å; L426-L431 HydrophobicContact CB-CB 4.35Å; L426-L431 HydrophobicContact CD2-CB 3.74Å; L426-L431 HydrophobicContact CD2-CD1 3.87Å; L426-L431 HydrophobicContact CD2-CG 4.45Å; L426-L431 PolarHBondContact O-N 3.33Å; L426-V433 HydrophobicContact CB-CG2 4.12Å; L426-V433 HydrophobicContact CD1-CG2 3.87Å
427	T	95.8	Very high	96.7	Very high	56 Å²	56	32.1 Å²	32.1	34%	0.344	20%	0.197	S	C	.	.	H	α-helix	trans	-61.8	-45	176.4	-60.2	0	0	0	0	111.8	Y385 G423 C425 L429 G430	Y385-T427 WeakPolarHBondContact CB-OG1 3.31Å; G423-T427 WeakPolarHBondContact O-CB 3.42Å; G423-T427 PolarHBondContact O-N 2.82Å; G423-T427 PolarHBondContact O-OG1 3.48Å; C425-T427 VanDerWaalsContact C-N 3.28Å; C425-T427 PolarHBondContact O-N 2.94Å; T427-L429 VanDerWaalsContact C-N 3.28Å; T427-L429 PolarHBondContact O-N 3.08Å; T427-G430 PolarHBondContact O-N 3.36Å; T427-G430 VanDerWaalsContact O-N 3.09Å
428	T	96	Very high	96.6	Very high	113 Å²	113	29.6 Å²	29.6	69%	0.693	18%	0.18	S	C	*	.	H	α-helix	trans	-61.6	-36.7	177.6	-58.9	0	0	0	0	112.1	M424 C425 L426 G430	M424-T428 WeakPolarHBondContact O-CB 3.29Å; M424-T428 PolarHBondContact O-N 3.33Å; M424-T428 PolarHBondContact O-OG1 3.37Å; C425-T428 WeakPolarHBondContact O-CB 3.1Å; C425-T428 PolarHBondContact O-N 3.36Å; C425-T428 VanDerWaalsContact O-N 3.1Å; L426-T428 PolarHBondContact O-N 2.78Å; T428-G430 VanDerWaalsContact C-N 3.3Å
429	L	96.6	Very high	96.7	Very high	59 Å²	59	29.2 Å²	29.2	31%	0.309	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-3.2	178.3	-62.9	177	0	0	0	113.5	C425 L426 T427 L431	C425-L429 WeakPolarHBondContact O-CG 3.19Å; C425-L429 PolarHBondContact O-N 3.46Å; L426-L429 CarbonylContact O-C 3.34Å; L426-L429 PolarHBondContact O-N 3.49Å; T427-L429 VanDerWaalsContact C-N 3.28Å; T427-L429 PolarHBondContact O-N 3.08Å; L429-L431 HydrophobicContact CB-CD1 4.03Å; L429-L431 HydrophobicContact CB-CG 3.85Å; L429-L431 HydrophobicContact CD1-CD1 4.06Å; L429-L431 PolarHBondContact O-N 3.49Å
430	G	95.5	Very high	96.7	Very high	57 Å²	57	28.2 Å²	28.2	59%	0.588	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.9	21.5	-175	0	0	0	0	0	113.9	L426 T427 T428	L426-G430 PolarHBondContact O-N 3.42Å; T427-G430 PolarHBondContact O-N 3.36Å; T427-G430 VanDerWaalsContact O-N 3.09Å; T428-G430 VanDerWaalsContact C-N 3.3Å
431	L	95.8	Very high	96.7	Very high	27 Å²	27	28.5 Å²	28.5	14%	0.141	17%	0.174	C	C	.	.			trans	-86.1	130.1	179.1	-62.1	179.9	0	0	0	110.5	A369 N403 L426 L429	A369-L431 HydrophobicContact CB-CD2 3.79Å; N403-L431 HydrophobicContact CB-CD1 3.86Å; L426-L431 HydrophobicContact CB-CB 4.35Å; L426-L431 HydrophobicContact CD2-CB 3.74Å; L426-L431 HydrophobicContact CD2-CD1 3.87Å; L426-L431 HydrophobicContact CD2-CG 4.45Å; L426-L431 PolarHBondContact O-N 3.33Å; L429-L431 HydrophobicContact CB-CD1 4.03Å; L429-L431 HydrophobicContact CB-CG 3.85Å; L429-L431 HydrophobicContact CD1-CD1 4.06Å; L429-L431 PolarHBondContact O-N 3.49Å
432	P	93.6	Very high	96.6	Very high	30 Å²	30	27.4 Å²	27.4	20%	0.195	17%	0.167	C	C	.	.			trans	-66	140.7	-178.7	-22	33.4	0	0	0	113.7	R60 S371	R60-P432 HydrophobicContact CB-CB 4.09Å; R60-P432 HydrophobicContact CB-CG 3.84Å; S371-P432 PolarHBondContact OG-O 2.67Å
433	V	97.4	Very high	96.5	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.024	17%	0.173	C	C	.	.			trans	-99.3	108.7	168	-178.2	0	0	0	0	108.5	R375 I388 L426	R375-V433 HydrophobicContact CB-CG1 4.42Å; R375-V433 WeakPolarHBondContact CD-O 3.44Å; R375-V433 HydrophobicContact CG-CG1 3.77Å; R375-V433 PolarHBondContact NH1-O 3.18Å; I388-V433 HydrophobicContact CD1-CG1 3.35Å; I388-V433 HydrophobicContact CG1-CG1 3.81Å; L426-V433 HydrophobicContact CB-CG2 4.12Å; L426-V433 HydrophobicContact CD1-CG2 3.87Å
434	T	97.4	Very high	96.4	Very high	2 Å²	2	29 Å²	29	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	121.1	-173.3	-52.1	0	0	0	0	111	N61 H64 Y364 S371 V372 G373 I388	N61-T434 WeakPolarHBondContact ND2-CG2 3.28Å; N61-T434 PolarHBondContact ND2-OG1 2.94Å; H64-T434 WeakPolarHBondContact NE2-CG2 3.44Å; Y364-T434 HydrophobicContact CE1-CG2 4.22Å; S371-T434 WeakPolarHBondContact O-CA 3.49Å; S371-T434 WeakPolarHBondContact O-CB 3.4Å; S371-T434 PolarHBondContact O-N 2.94Å; S371-T434 PolarHBondContact O-OG1 2.92Å; V372-T434 WeakPolarHBondContact CA-O 3.44Å; V372-T434 HydrophobicContact CG2-CG2 4.16Å; G373-T434 PolarHBondContact N-O 3.2Å; I388-T434 VanDerWaalsContact CD1-O 3.32Å; I388-T434 WeakPolarHBondContact CD1-O 3.16Å
435	H	97.6	Very high	96.2	Very high	52 Å²	52	30.9 Å²	30.9	24%	0.241	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	135.8	170.9	-177.1	47.4	0	0	0	110.9	Q59 G373 R375	Q59-H435 PolarHBondContact NE2-O 3.27Å; G373-H435 CarbonylContact O-C 3.55Å; G373-H435 WeakPolarHBondContact O-CA 3.49Å; R375-H435 HydrophobicContact CB-CB 3.67Å; R375-H435 PolarHBondContact N-ND1 3.26Å
436	S	95.9	Very high	96	Very high	5 Å²	5	30.6 Å²	30.6	4%	0.035	18%	0.182	C	C	.	.			trans	-120.4	128.2	160.5	175	0	0	0	0	109.2	G373 L438 F439	G373-S436 PolarHBondContact O-N 2.91Å; S436-L438 PolarHBondContact O-N 3.37Å; S436-L438 PolarHBondContact OG-N 3.05Å; S436-F439 PolarHBondContact O-N 3.5Å
437	P	93.5	Very high	95.9	Very high	46 Å²	46	31.5 Å²	31.5	30%	0.299	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	7.4	178.5	33.2	-37.8	0	0	0	112.8	Q455	P437-Q455 PolarHBondContact O-OE1 2.9Å
438	L	95.4	Very high	95.8	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.026	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-8	-179.9	-53.1	-177.9	0	0	0	112.3	S436 H440 Q455 I458 S459	S436-L438 PolarHBondContact O-N 3.37Å; S436-L438 PolarHBondContact OG-N 3.05Å; L438-H440 PolarHBondContact O-CE1 2.95Å; L438-H440 PolarHBondContact O-ND1 3.1Å; L438-Q455 HydrophobicContact CD2-CB 4.17Å; L438-I458 HydrophobicContact CB-CB 4.13Å; L438-I458 HydrophobicContact CB-CD1 3.83Å; L438-I458 HydrophobicContact CB-CG1 3.84Å; L438-I458 HydrophobicContact CD1-CD1 3.86Å; L438-I458 HydrophobicContact CD1-CG1 4.2Å; L438-I458 HydrophobicContact CG-CD1 4.5Å; L438-I458 WeakPolarHBondContact O-CA 3.41Å; L438-I458 WeakPolarHBondContact O-CB 3.49Å; L438-I458 PolarHBondContact O-N 3.17Å; L438-S459 PolarHBondContact O-N 2.92Å
439	F	98	Very high	95.5	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	16%	0.163	C	C	.	.			trans	-102.7	143	177.6	-68.9	-109.4	0	0	0	109.7	L357 L360 E374 G392 G393 V395 S436 I458 S459	L357-F439 HydrophobicContact CD1-CE1 4.5Å; L357-F439 HydrophobicContact CD1-CZ 3.82Å; L360-F439 HydrophobicContact CD2-CE2 3.58Å; L360-F439 HydrophobicContact CD2-CZ 4.26Å; E374-F439 HydrophobicContact CB-CB 3.9Å; E374-F439 WeakPolarHBondContact CB-O 3.24Å; E374-F439 WeakPolarHBondContact CG-O 3.49Å; G392-F439 WeakPolarHBondContact O-CD1 3.34Å; G393-F439 WeakPolarHBondContact O-CD1 3.4Å; V395-F439 HydrophobicContact CG2-CE1 4.13Å; V395-F439 HydrophobicContact CG2-CZ 4.11Å; S436-F439 PolarHBondContact O-N 3.5Å; F439-I458 HydrophobicContact CD1-CG2 4.34Å; F439-I458 HydrophobicContact CD2-CB 4.47Å; F439-I458 HydrophobicContact CD2-CD1 4.41Å; F439-I458 HydrophobicContact CE1-CG2 3.94Å; F439-I458 HydrophobicContact CE2-CB 4.39Å; F439-I458 HydrophobicContact CE2-CD1 3.8Å; F439-I458 HydrophobicContact CE2-CG2 4.21Å; F439-I458 HydrophobicContact CZ-CD1 4.25Å; F439-I458 HydrophobicContact CZ-CG2 3.88Å; F439-S459 WeakPolarHBondContact CA-OG 3.49Å; F439-S459 WeakPolarHBondContact CD1-OG 2.97Å
440	H	98	Very high	95	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.019	17%	0.168	C	C	.	.			trans	-141.4	120.3	-173	-53.5	90.1	0	0	0	111.7	G392 L438 A442 Y447 S459 F460 H461	G392-H440 WeakPolarHBondContact CA-O 3.3Å; L438-H440 PolarHBondContact O-CE1 2.95Å; L438-H440 PolarHBondContact O-ND1 3.1Å; H440-A442 VanDerWaalsContact C-N 3.26Å; H440-A442 PolarHBondContact O-N 2.86Å; H440-Y447 WeakPolarHBondContact CA-OH 3.37Å; H440-Y447 HydrophobicContact CB-CE2 3.62Å; H440-Y447 WeakPolarHBondContact CB-OH 3.37Å; H440-Y447 AromaticContact CD2-CD1 4Å; H440-Y447 AromaticContact CD2-CE1 3.7Å; H440-Y447 AromaticContact CD2-CE2 3.76Å; H440-Y447 AromaticContact CD2-CZ 3.59Å; H440-Y447 AromaticContact CG-CE2 4Å; H440-Y447 AromaticContact CG-CZ 3.98Å; H440-S459 WeakPolarHBondContact CB-O 3.48Å; H440-S459 PolarHBondContact N-O 3.42Å; H440-S459 PolarHBondContact N-OG 3.09Å; H440-S459 PolarHBondContact ND1-O 3.01Å; H440-F460 HydrophobicContact CB-CD1 3.59Å; H440-F460 HydrophobicContact CB-CE1 3.96Å; H440-F460 HydrophobicContact CB-CG 4.43Å; H440-F460 AromaticContact CG-CD1 3.82Å; H440-F460 AromaticContact CG-CE1 3.64Å; H440-F460 AromaticContact ND1-CD1 3.97Å; H440-F460 AromaticContact ND1-CE1 3.65Å; H440-F460 CarbonylContact O-C 3.56Å; H440-F460 WeakPolarHBondContact O-CA 3.2Å; H440-H461 PolarHBondContact O-N 3.42Å
441	Q	97.4	Very high	94.6	Very high	38 Å²	38	28.8 Å²	28.8	18%	0.178	14%	0.143	C	C	.	.	S	Bend	trans	-77.3	-11.8	177.7	176.8	60.2	21.6	0	0	112.7	E374 Y376 T389 G391 Y447 H461	E374-Q441 WeakPolarHBondContact OE2-CA 3.5Å; E374-Q441 WeakPolarHBondContact OE2-CB 3.44Å; E374-Q441 PolarHBondContact OE2-N 2.97Å; Y376-Q441 HydrophobicContact CE2-CG 4.29Å; T389-Q441 VanDerWaalsContact CB-OE1 3.28Å; T389-Q441 HydrophobicContact CG2-CB 4.12Å; T389-Q441 HydrophobicContact CG2-CG 4.18Å; T389-Q441 PolarHBondContact OG1-OE1 3.26Å; G391-Q441 VanDerWaalsContact C-OE1 3.29Å; Q441-Y447 PolarHBondContact N-OH 3.07Å; Q441-H461 WeakPolarHBondContact O-CB 3.28Å; Q441-H461 PolarHBondContact O-ND1 3.45Å
442	A	96.9	Very high	94.3	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.008	14%	0.137	C	C	.	.	S	Bend	trans	-117.9	-178	178.5	0	0	0	0	0	111.9	I162 I163 H440 D446 Y447 H461	I162-A442 HydrophobicContact CG2-CB 4.31Å; I163-A442 HydrophobicContact CG2-CB 3.8Å; H440-A442 VanDerWaalsContact C-N 3.26Å; H440-A442 PolarHBondContact O-N 2.86Å; A442-D446 HydrophobicContact CB-CB 3.66Å; A442-D446 WeakPolarHBondContact CB-OD2 3.2Å; A442-Y447 HydrophobicContact CB-CE2 3.77Å; A442-Y447 PolarHBondContact N-OH 2.98Å; A442-H461 CarbonylContact C-O 3.58Å; A442-H461 PolarHBondContact O-N 2.9Å; A442-H461 VanDerWaalsContact O-N 3.11Å
443	R	95.9	Very high	93.9	Very high	35 Å²	35	28.8 Å²	28.8	13%	0.132	15%	0.149	C	C	.	.			trans	-79.6	161.2	179.5	-55.1	165.6	-67.4	159.4	9.4	109.1	D445 D446 Y447 H461 K462 W464 I466	R443-D445 PolarHBondContact O-N 2.87Å; R443-D446 VanDerWaalsContact CB-OD2 3.3Å; R443-D446 WeakPolarHBondContact CB-OD2 3.44Å; R443-D446 IonicContact CZ-OD1 3.38Å; R443-D446 IonicContact CZ-OD2 2.87Å; R443-D446 PolarHBondContact N-OD2 2.68Å; R443-D446 IonicContact NE-OD1 2.64Å; R443-D446 IonicContact NE-OD2 2.87Å; R443-D446 PolarHBondContact NE-OD2 2.63Å; R443-D446 IonicContact NH2-OD1 3.84Å; R443-D446 PolarHBondContact NH2-OD1 2.78Å; R443-D446 IonicContact NH2-OD2 3.15Å; R443-D446 WeakPolarHBondContact O-CB 3.5Å; R443-D446 PolarHBondContact O-N 3.16Å; R443-Y447 WeakPolarHBondContact O-CD2 3.42Å; R443-Y447 WeakPolarHBondContact O-CE2 3.36Å; R443-H461 PolarHBondContact N-O 3.48Å; R443-K462 HydrophobicContact CG-CB 4.22Å; R443-W464 WeakPolarHBondContact CD-O 3.45Å; R443-I466 HydrophobicContact CB-CG2 4.32Å; R443-I466 HydrophobicContact CG-CG2 4.21Å
444	P	95.1	Very high	93.1	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.019	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-52.6	-39.5	175.1	-24	31.2	0	0	0	113.7	D446 Y447 L452 F460 V471	P444-D446 PolarHBondContact O-N 2.83Å; P444-Y447 PolarHBondContact O-N 3.45Å; P444-L452 HydrophobicContact CB-CD1 4Å; P444-L452 WeakPolarHBondContact O-CD1 3.24Å; P444-F460 HydrophobicContact CB-CD1 4.28Å; P444-F460 HydrophobicContact CB-CE1 3.96Å; P444-F460 HydrophobicContact CB-CZ 4.09Å; P444-F460 HydrophobicContact CG-CB 4.45Å; P444-F460 HydrophobicContact CG-CD1 3.74Å; P444-F460 HydrophobicContact CG-CD2 3.85Å; P444-F460 HydrophobicContact CG-CE1 3.85Å; P444-F460 HydrophobicContact CG-CE2 3.96Å; P444-F460 HydrophobicContact CG-CG 3.74Å; P444-F460 HydrophobicContact CG-CZ 3.94Å; P444-V471 HydrophobicContact CG-CG1 3.68Å
445	D	93.1	Very high	92.5	Very high	98 Å²	98	32.1 Å²	32.1	52%	0.524	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-67.9	-15.1	-178.2	-51.1	-23.7	0	0	0	113.4	R443	R443-D445 PolarHBondContact O-N 2.87Å
446	D	94.7	Very high	92.1	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-82.9	-0.8	175.5	-58.1	-57.6	0	0	0	111.5	I162 I163 A442 R443 P444	I162-D446 HydrophobicContact CG2-CB 4.27Å; I163-D446 WeakPolarHBondContact CD1-O 3.42Å; I163-D446 VanDerWaalsContact CG1-O 3.3Å; I163-D446 WeakPolarHBondContact CG1-O 3.29Å; A442-D446 HydrophobicContact CB-CB 3.66Å; A442-D446 WeakPolarHBondContact CB-OD2 3.2Å; R443-D446 VanDerWaalsContact CB-OD2 3.3Å; R443-D446 WeakPolarHBondContact CB-OD2 3.44Å; R443-D446 IonicContact CZ-OD1 3.38Å; R443-D446 IonicContact CZ-OD2 2.87Å; R443-D446 PolarHBondContact N-OD2 2.68Å; R443-D446 IonicContact NE-OD1 2.64Å; R443-D446 IonicContact NE-OD2 2.87Å; R443-D446 PolarHBondContact NE-OD2 2.63Å; R443-D446 IonicContact NH2-OD1 3.84Å; R443-D446 PolarHBondContact NH2-OD1 2.78Å; R443-D446 IonicContact NH2-OD2 3.15Å; R443-D446 WeakPolarHBondContact O-CB 3.5Å; R443-D446 PolarHBondContact O-N 3.16Å; P444-D446 PolarHBondContact O-N 2.83Å
447	Y	94.5	Very high	92.1	Very high	22 Å²	22	31.8 Å²	31.8	9%	0.086	17%	0.165	C	C	.	.	S	Bend	trans	-124.8	154.5	178.9	-56.4	-91.9	0	0	0	111.9	I163 E374 H440 Q441 A442 R443 P444 K449 L452 F460	I163-Y447 HydrophobicContact CD1-CD1 3.75Å; I163-Y447 HydrophobicContact CD1-CE1 3.89Å; I163-Y447 HydrophobicContact CD1-CG 4.41Å; E374-Y447 PolarHBondContact OE1-OH 2.8Å; H440-Y447 WeakPolarHBondContact CA-OH 3.37Å; H440-Y447 HydrophobicContact CB-CE2 3.62Å; H440-Y447 WeakPolarHBondContact CB-OH 3.37Å; H440-Y447 AromaticContact CD2-CD1 4Å; H440-Y447 AromaticContact CD2-CE1 3.7Å; H440-Y447 AromaticContact CD2-CE2 3.76Å; H440-Y447 AromaticContact CD2-CZ 3.59Å; H440-Y447 AromaticContact CG-CE2 4Å; H440-Y447 AromaticContact CG-CZ 3.98Å; Q441-Y447 PolarHBondContact N-OH 3.07Å; A442-Y447 HydrophobicContact CB-CE2 3.77Å; A442-Y447 PolarHBondContact N-OH 2.98Å; R443-Y447 WeakPolarHBondContact O-CD2 3.42Å; R443-Y447 WeakPolarHBondContact O-CE2 3.36Å; P444-Y447 PolarHBondContact O-N 3.45Å; Y447-K449 PolarHBondContact O-N 2.83Å; Y447-L452 HydrophobicContact CG-CD2 4.48Å; Y447-F460 HydrophobicContact CD2-CE1 4.35Å
448	V	92.8	Very high	92.2	Very high	6 Å²	6	29.6 Å²	29.6	4%	0.036	15%	0.151	C	C	.	.			trans	-60.7	127.8	178.5	-175.4	0	0	0	0	111.5	L155 Y177 E450 L451 L452	L155-V448 HydrophobicContact CB-CG2 4.47Å; L155-V448 HydrophobicContact CD2-CG1 4.26Å; Y177-V448 HydrophobicContact CE2-CG2 4.19Å; Y177-V448 WeakPolarHBondContact OH-CG2 3.41Å; V448-E450 VanDerWaalsContact C-N 3.33Å; V448-E450 HydrophobicContact CG1-CB 4.27Å; V448-E450 WeakPolarHBondContact CG1-OE2 3.45Å; V448-E450 PolarHBondContact O-N 3.1Å; V448-L451 HydrophobicContact CB-CB 4.09Å; V448-L451 WeakPolarHBondContact O-CB 3.45Å; V448-L451 PolarHBondContact O-N 3.19Å; V448-L451 VanDerWaalsContact O-N 3.11Å; V448-L452 PolarHBondContact O-N 3.13Å; V448-L452 VanDerWaalsContact O-N 3.1Å
449	K	90.4	Very high	92.4	Very high	121 Å²	121	29.3 Å²	29.3	53%	0.526	15%	0.149	S	C	.	.	H	α-helix	trans	-61.2	-40.2	-176.4	-68.5	-179.8	-172.9	125.7	0	112.5	D158 Y447 L451 L452 A453	D158-K449 WeakPolarHBondContact OD2-CD 3.27Å; D158-K449 WeakPolarHBondContact OD2-CE 3.15Å; D158-K449 IonicContact OD2-NZ 3.21Å; D158-K449 PolarHBondContact OD2-NZ 3.16Å; Y447-K449 PolarHBondContact O-N 2.83Å; K449-L451 VanDerWaalsContact C-N 3.27Å; K449-L451 PolarHBondContact O-N 2.68Å; K449-L452 PolarHBondContact O-N 2.93Å; K449-A453 WeakPolarHBondContact O-CB 3.48Å; K449-A453 PolarHBondContact O-N 3.3Å
450	E	86.4	Confident	92.4	Very high	88 Å²	88	29.4 Å²	29.4	41%	0.411	15%	0.15	S	C	.	.	H	α-helix	trans	-61.9	-36.6	177.7	-68.1	77	-172.3	0	0	111.8	V448 R454	V448-E450 VanDerWaalsContact C-N 3.33Å; V448-E450 HydrophobicContact CG1-CB 4.27Å; V448-E450 WeakPolarHBondContact CG1-OE2 3.45Å; V448-E450 PolarHBondContact O-N 3.1Å; E450-R454 WeakPolarHBondContact O-CG 3.19Å; E450-R454 PolarHBondContact O-N 2.74Å
451	L	86.8	Confident	92.4	Very high	14 Å²	14	30 Å²	30	7%	0.073	15%	0.152	C	C	.	.	H	α-helix	trans	-67	-52.2	177	-174.4	72.9	0	0	0	109.9	M181 V448 K449 A453 R454 Q455	M181-L451 HydrophobicContact CG-CD1 4.14Å; M181-L451 HydrophobicContact SD-CD1 3.53Å; M181-L451 VanDerWaalsContact SD-CD1 3.53Å; V448-L451 HydrophobicContact CB-CB 4.09Å; V448-L451 WeakPolarHBondContact O-CB 3.45Å; V448-L451 PolarHBondContact O-N 3.19Å; V448-L451 VanDerWaalsContact O-N 3.11Å; K449-L451 VanDerWaalsContact C-N 3.27Å; K449-L451 PolarHBondContact O-N 2.68Å; L451-A453 VanDerWaalsContact C-N 3.28Å; L451-A453 PolarHBondContact O-N 3.26Å; L451-R454 PolarHBondContact O-N 2.94Å; L451-R454 VanDerWaalsContact O-N 3.17Å; L451-Q455 WeakPolarHBondContact O-CG 3.32Å; L451-Q455 PolarHBondContact O-N 3.16Å
452	L	89.6	Confident	92.2	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-62.3	-34.8	179.3	-66.1	-173.4	0	0	0	112.8	P444 Y447 V448 K449 R454 Q455 P457 F460 W475	P444-L452 HydrophobicContact CB-CD1 4Å; P444-L452 WeakPolarHBondContact O-CD1 3.24Å; Y447-L452 HydrophobicContact CG-CD2 4.48Å; V448-L452 PolarHBondContact O-N 3.13Å; V448-L452 VanDerWaalsContact O-N 3.1Å; K449-L452 PolarHBondContact O-N 2.93Å; L452-R454 PolarHBondContact O-N 3.15Å; L452-Q455 PolarHBondContact O-N 3.28Å; L452-P457 HydrophobicContact CD2-CG 4.37Å; L452-F460 HydrophobicContact CD1-CE1 4.15Å; L452-F460 HydrophobicContact CD1-CZ 4.08Å; L452-F460 HydrophobicContact CD2-CE1 4.07Å; L452-F460 HydrophobicContact CD2-CZ 4.01Å; L452-W475 HydrophobicContact CB-CH2 3.9Å; L452-W475 HydrophobicContact CB-CZ3 3.72Å; L452-W475 HydrophobicContact CD1-CH2 4.3Å
453	A	84.6	Confident	92.1	Very high	54 Å²	54	31.3 Å²	31.3	45%	0.446	16%	0.158	S	C	.	.	H	α-helix	trans	-67.2	-25.9	179.4	0	0	0	0	0	113.3	K449 L451	K449-A453 WeakPolarHBondContact O-CB 3.48Å; K449-A453 PolarHBondContact O-N 3.3Å; L451-A453 VanDerWaalsContact C-N 3.28Å; L451-A453 PolarHBondContact O-N 3.26Å
454	R	81	Confident	91.8	Very high	59 Å²	59	35.2 Å²	35.2	22%	0.223	17%	0.173	C	C	.	.	H	α-helix	trans	-87.5	-28	177	-69.2	174.5	-171.2	125.9	11	111.8	D179 S236 Y254 E450 L451 L452	D179-R454 IonicContact OD2-NH1 2.76Å; D179-R454 PolarHBondContact OD2-NH1 3.12Å; S236-R454 PolarHBondContact OG-NE 3.26Å; S236-R454 PolarHBondContact OG-NH1 3Å; Y254-R454 WeakPolarHBondContact CD2-O 3.48Å; Y254-R454 HydrophobicContact CE2-CB 4Å; Y254-R454 WeakPolarHBondContact CE2-O 3.29Å; E450-R454 WeakPolarHBondContact O-CG 3.19Å; E450-R454 PolarHBondContact O-N 2.74Å; L451-R454 PolarHBondContact O-N 2.94Å; L451-R454 VanDerWaalsContact O-N 3.17Å; L452-R454 PolarHBondContact O-N 3.15Å
455	Q	85.5	Confident	91.6	Very high	17 Å²	17	41.2 Å²	41.2	8%	0.079	21%	0.205	C	C	.	.	S	Bend	trans	-84.4	171.3	179.6	-66.7	174.2	-2.9	0	0	112.3	M181 P437 L438 L451 L452	M181-Q455 HydrophobicContact CE-CG 3.67Å; M181-Q455 HydrophobicContact SD-CG 4.48Å; P437-Q455 PolarHBondContact O-OE1 2.9Å; L438-Q455 HydrophobicContact CD2-CB 4.17Å; L451-Q455 WeakPolarHBondContact O-CG 3.32Å; L451-Q455 PolarHBondContact O-N 3.16Å; L452-Q455 PolarHBondContact O-N 3.28Å
456	S	88.9	Confident	91.7	Very high	46 Å²	46	38 Å²	38	32%	0.322	19%	0.187	S	C	.	.			trans	-121.1	82.2	167.3	-70.6	0	0	0	0	108.4	L255 I458	L255-S456 VanDerWaalsContact CD1-CB 3.49Å; S456-I458 PolarHBondContact O-N 3.4Å
457	P	94.6	Very high	91.8	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.019	22%	0.217	C	C	.	.			trans	-52.8	138.9	-173.3	-28.4	36	0	0	0	112.2	R356 L452 F460 L476	R356-P457 VanDerWaalsContact CD-O 3.3Å; R356-P457 WeakPolarHBondContact CD-O 3.39Å; R356-P457 PolarHBondContact NH1-O 2.94Å; L452-P457 HydrophobicContact CD2-CG 4.37Å; P457-F460 HydrophobicContact CB-CD2 4.48Å; P457-F460 HydrophobicContact CB-CE2 3.54Å; P457-F460 HydrophobicContact CB-CZ 3.66Å; P457-F460 HydrophobicContact CG-CE2 3.96Å; P457-F460 HydrophobicContact CG-CZ 3.74Å; P457-L476 HydrophobicContact CB-CD2 3.98Å; P457-L476 VanDerWaalsContact O-CD2 3.29Å; P457-L476 WeakPolarHBondContact O-CD2 3.38Å
458	I	96.9	Very high	91.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.219	C	C	.	.			trans	-90.8	-43.8	171.9	-74.1	172.2	0	0	0	109.4	I352 S353 R356 L357 L360 L438 F439 S456 L476	I352-I458 CarbonylContact C-O 3.59Å; I352-I458 VanDerWaalsContact CA-O 3.3Å; I352-I458 WeakPolarHBondContact CA-O 3.24Å; I352-I458 HydrophobicContact CD1-CG2 4.03Å; I352-I458 HydrophobicContact CG1-CG2 3.89Å; I352-I458 WeakPolarHBondContact CG1-O 3.42Å; S353-I458 PolarHBondContact N-O 2.76Å; R356-I458 HydrophobicContact CB-CG1 3.92Å; L357-I458 HydrophobicContact CB-CG2 4.1Å; L360-I458 HydrophobicContact CB-CD1 3.8Å; L360-I458 HydrophobicContact CD2-CD1 3.4Å; L360-I458 VanDerWaalsContact CD2-CD1 3.4Å; L360-I458 HydrophobicContact CG-CD1 4.21Å; L438-I458 HydrophobicContact CB-CB 4.13Å; L438-I458 HydrophobicContact CB-CD1 3.83Å; L438-I458 HydrophobicContact CB-CG1 3.84Å; L438-I458 HydrophobicContact CD1-CD1 3.86Å; L438-I458 HydrophobicContact CD1-CG1 4.2Å; L438-I458 HydrophobicContact CG-CD1 4.5Å; L438-I458 WeakPolarHBondContact O-CA 3.41Å; L438-I458 WeakPolarHBondContact O-CB 3.49Å; L438-I458 PolarHBondContact O-N 3.17Å; F439-I458 HydrophobicContact CD1-CG2 4.34Å; F439-I458 HydrophobicContact CD2-CB 4.47Å; F439-I458 HydrophobicContact CD2-CD1 4.41Å; F439-I458 HydrophobicContact CE1-CG2 3.94Å; F439-I458 HydrophobicContact CE2-CB 4.39Å; F439-I458 HydrophobicContact CE2-CD1 3.8Å; F439-I458 HydrophobicContact CE2-CG2 4.21Å; F439-I458 HydrophobicContact CZ-CD1 4.25Å; F439-I458 HydrophobicContact CZ-CG2 3.88Å; S456-I458 PolarHBondContact O-N 3.4Å; I458-L476 WeakPolarHBondContact O-CD2 3.33Å
459	S	98.3	Very high	92.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	159.6	-177.4	60.3	0	0	0	0	113.6	L351 G392 L438 F439 H440	L351-S459 CarbonylContact O-C 3.18Å; L351-S459 WeakPolarHBondContact O-CA 3.44Å; L351-S459 WeakPolarHBondContact O-CB 3.26Å; G392-S459 VanDerWaalsContact O-CB 3.24Å; G392-S459 WeakPolarHBondContact O-CB 3.34Å; G392-S459 PolarHBondContact O-OG 3.47Å; L438-S459 PolarHBondContact O-N 2.92Å; F439-S459 WeakPolarHBondContact CA-OG 3.49Å; F439-S459 WeakPolarHBondContact CD1-OG 2.97Å; H440-S459 WeakPolarHBondContact CB-O 3.48Å; H440-S459 PolarHBondContact N-O 3.42Å; H440-S459 PolarHBondContact N-OG 3.09Å; H440-S459 PolarHBondContact ND1-O 3.01Å
460	F	98.4	Very high	92.3	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	162.3	163	-68.3	-75.1	0	0	0	108.7	L351 H440 P444 Y447 L452 P457 W475 L476	L351-F460 PolarHBondContact N-O 3.35Å; L351-F460 PolarHBondContact O-N 2.7Å; H440-F460 HydrophobicContact CB-CD1 3.59Å; H440-F460 HydrophobicContact CB-CE1 3.96Å; H440-F460 HydrophobicContact CB-CG 4.43Å; H440-F460 AromaticContact CG-CD1 3.82Å; H440-F460 AromaticContact CG-CE1 3.64Å; H440-F460 AromaticContact ND1-CD1 3.97Å; H440-F460 AromaticContact ND1-CE1 3.65Å; H440-F460 CarbonylContact O-C 3.56Å; H440-F460 WeakPolarHBondContact O-CA 3.2Å; P444-F460 HydrophobicContact CB-CD1 4.28Å; P444-F460 HydrophobicContact CB-CE1 3.96Å; P444-F460 HydrophobicContact CB-CZ 4.09Å; P444-F460 HydrophobicContact CG-CB 4.45Å; P444-F460 HydrophobicContact CG-CD1 3.74Å; P444-F460 HydrophobicContact CG-CD2 3.85Å; P444-F460 HydrophobicContact CG-CE1 3.85Å; P444-F460 HydrophobicContact CG-CE2 3.96Å; P444-F460 HydrophobicContact CG-CG 3.74Å; P444-F460 HydrophobicContact CG-CZ 3.94Å; Y447-F460 HydrophobicContact CD2-CE1 4.35Å; L452-F460 HydrophobicContact CD1-CE1 4.15Å; L452-F460 HydrophobicContact CD1-CZ 4.08Å; L452-F460 HydrophobicContact CD2-CE1 4.07Å; L452-F460 HydrophobicContact CD2-CZ 4.01Å; P457-F460 HydrophobicContact CB-CD2 4.48Å; P457-F460 HydrophobicContact CB-CE2 3.54Å; P457-F460 HydrophobicContact CB-CZ 3.66Å; P457-F460 HydrophobicContact CG-CE2 3.96Å; P457-F460 HydrophobicContact CG-CZ 3.74Å; F460-W475 HydrophobicContact CD2-CB 4.39Å; F460-W475 HydrophobicContact CE2-CB 3.74Å; F460-W475 HydrophobicContact CE2-CG 4.08Å; F460-L476 HydrophobicContact CD2-CD1 4.16Å; F460-L476 HydrophobicContact CD2-CD2 4.05Å; F460-L476 HydrophobicContact CD2-CG 4.17Å; F460-L476 HydrophobicContact CE2-CD2 4.12Å; F460-L476 HydrophobicContact CE2-CG 4.49Å
461	H	97.8	Very high	92.8	Very high	16 Å²	16	38.2 Å²	38.2	7%	0.074	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	161.9	-176.4	178.2	-115.5	0	0	0	112.2	D349 G391 H440 Q441 A442 R443	D349-H461 IonicContact OD1-CD2 2.77Å; D349-H461 IonicContact OD1-NE2 2.81Å; D349-H461 PolarHBondContact OD1-NE2 3.49Å; D349-H461 IonicContact OD2-NE2 3.28Å; G391-H461 WeakPolarHBondContact CA-CD2 3.04Å; G391-H461 WeakPolarHBondContact O-CB 3.23Å; G391-H461 PolarHBondContact O-CD2 3.24Å; G391-H461 VanDerWaalsContact O-CD2 3.31Å; H440-H461 PolarHBondContact O-N 3.42Å; Q441-H461 WeakPolarHBondContact O-CB 3.28Å; Q441-H461 PolarHBondContact O-ND1 3.45Å; A442-H461 CarbonylContact C-O 3.58Å; A442-H461 PolarHBondContact O-N 2.9Å; A442-H461 VanDerWaalsContact O-N 3.11Å; R443-H461 PolarHBondContact N-O 3.48Å
462	K	94.4	Very high	93.2	Very high	41 Å²	41	38 Å²	38	18%	0.178	20%	0.196	C	C	.	.			trans	71.6	112.4	-177.4	-42	176.3	-177.5	170.1	0	113.2	D349 R443 W464 I466	D349-K462 PolarHBondContact O-N 3.01Å; D349-K462 VanDerWaalsContact O-N 3.09Å; R443-K462 HydrophobicContact CG-CB 4.22Å; K462-W464 VanDerWaalsContact C-N 3.27Å; K462-W464 HydrophobicContact CB-CG 4.37Å; K462-W464 PolarHBondContact O-N 3Å; K462-I466 VanDerWaalsContact O-CD1 3.3Å; K462-I466 WeakPolarHBondContact O-CD1 3.46Å
463	H	93.7	Very high	93.5	Very high	26 Å²	26	40.1 Å²	40.1	12%	0.12	21%	0.206	C	C	.	.			trans	-76.7	-8.8	175	-70.2	175.2	0	0	0	114.6	D348 D349 I466 P468	D348-H463 PolarHBondContact O-CE1 3.44Å; D349-H463 HydrophobicContact CB-CB 4.23Å; D349-H463 PolarHBondContact O-CD2 3.44Å; H463-I466 WeakPolarHBondContact O-CG1 3.28Å; H463-P468 HydrophobicContact CB-CG 4.45Å
464	W	90.4	Very high	93.8	Very high	118 Å²	118	40.9 Å²	40.9	45%	0.447	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	145.1	-177.1	75.2	-32.6	0	0	0	112.7	R443 K462 I466	R443-W464 WeakPolarHBondContact CD-O 3.45Å; K462-W464 VanDerWaalsContact C-N 3.27Å; K462-W464 HydrophobicContact CB-CG 4.37Å; K462-W464 PolarHBondContact O-N 3Å; W464-I466 PolarHBondContact O-N 2.89Å
465	N	91.6	Very high	94.4	Very high	129 Å²	129	40.3 Å²	40.3	69%	0.69	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	23.4	177.1	-63.7	-15.8	0	0	0	114.9
466	I	93.9	Very high	94.8	Very high	31 Å²	31	39.5 Å²	39.5	16%	0.159	19%	0.191	C	C	.	.	S	Bend	trans	-137.1	164.8	174.8	61.9	165.2	0	0	0	110.2	R443 K462 H463 W464 P468 V471	R443-I466 HydrophobicContact CB-CG2 4.32Å; R443-I466 HydrophobicContact CG-CG2 4.21Å; K462-I466 VanDerWaalsContact O-CD1 3.3Å; K462-I466 WeakPolarHBondContact O-CD1 3.46Å; H463-I466 WeakPolarHBondContact O-CG1 3.28Å; W464-I466 PolarHBondContact O-N 2.89Å; I466-P468 HydrophobicContact CD1-CB 4.45Å; I466-P468 VanDerWaalsContact O-CD 3.27Å; I466-P468 WeakPolarHBondContact O-CD 3.41Å; I466-V471 HydrophobicContact CB-CG2 4.14Å; I466-V471 HydrophobicContact CD1-CB 4.44Å; I466-V471 HydrophobicContact CD1-CG2 4.09Å
467	K	96.6	Very high	94.9	Very high	147 Å²	147	37.5 Å²	37.5	64%	0.639	18%	0.177	S	C	*	.			trans	-97.2	94.2	165.9	-67.4	176.1	-175.1	168.8	0	108.2	V469 A470 V471	K467-V469 VanDerWaalsContact C-N 3.33Å; K467-V469 PolarHBondContact O-N 3.36Å; K467-A470 HydrophobicContact CB-CB 3.94Å; K467-A470 WeakPolarHBondContact O-CB 3.34Å; K467-A470 PolarHBondContact O-N 2.97Å; K467-V471 PolarHBondContact O-N 2.98Å
468	P	96.7	Very high	94.4	Very high	20 Å²	20	38.3 Å²	38.3	13%	0.13	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-36	-164.8	23.3	-35	0	0	0	113.7	I284 L351 H463 I466 V471 Y472	I284-P468 HydrophobicContact CD1-CG 4.21Å; I284-P468 HydrophobicContact CG1-CG 4.22Å; I284-P468 HydrophobicContact CG2-CB 3.84Å; I284-P468 HydrophobicContact CG2-CG 3.88Å; L351-P468 HydrophobicContact CD1-CB 3.99Å; L351-P468 VanDerWaalsContact CD1-O 3.3Å; L351-P468 WeakPolarHBondContact CD1-O 3.49Å; L351-P468 HydrophobicContact CD2-CB 4.19Å; H463-P468 HydrophobicContact CB-CG 4.45Å; I466-P468 HydrophobicContact CD1-CB 4.45Å; I466-P468 VanDerWaalsContact O-CD 3.27Å; I466-P468 WeakPolarHBondContact O-CD 3.41Å; P468-V471 PolarHBondContact O-N 3.47Å; P468-Y472 WeakPolarHBondContact O-CB 3.46Å; P468-Y472 PolarHBondContact O-N 3.39Å
469	V	96.6	Very high	93.2	Very high	28 Å²	28	42.7 Å²	42.7	17%	0.17	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-41.6	175.6	179.9	0	0	0	0	111.6	I284 Q287 T288 K467 Y472 Q473	I284-V469 HydrophobicContact CD1-CG2 4.07Å; I284-V469 HydrophobicContact CG2-CG2 4.4Å; Q287-V469 HydrophobicContact CG-CG2 4.3Å; Q287-V469 VanDerWaalsContact OE1-CG2 3.29Å; T288-V469 HydrophobicContact CG2-CG2 4.21Å; K467-V469 VanDerWaalsContact C-N 3.33Å; K467-V469 PolarHBondContact O-N 3.36Å; V469-Y472 PolarHBondContact O-N 2.01Å; V469-Q473 WeakPolarHBondContact O-CB 3.33Å; V469-Q473 VanDerWaalsContact O-CG 3.26Å; V469-Q473 WeakPolarHBondContact O-CG 3.35Å; V469-Q473 PolarHBondContact O-N 2.78Å
470	A	95.9	Very high	91.8	Very high	28 Å²	28	49.3 Å²	49.3	23%	0.231	24%	0.244	C	C	.	.	H	α-helix	trans	-68.5	-41.1	177.8	0	0	0	0	0	111.2	K467 Q473 R474	K467-A470 HydrophobicContact CB-CB 3.94Å; K467-A470 WeakPolarHBondContact O-CB 3.34Å; K467-A470 PolarHBondContact O-N 2.97Å; A470-Q473 PolarHBondContact O-N 3.2Å; A470-R474 WeakPolarHBondContact O-CB 3.49Å; A470-R474 PolarHBondContact O-N 3.29Å
471	V	95.8	Very high	90	Very high	20 Å²	20	52.7 Å²	52.7	12%	0.121	26%	0.261	C	S	.	.	H	α-helix	trans	-58.5	-48.1	173	166	0	0	0	0	110.9	L351 P444 I466 K467 P468 Q473 R474 W475	L351-V471 HydrophobicContact CD1-CB 4.07Å; L351-V471 HydrophobicContact CD1-CG1 3.72Å; P444-V471 HydrophobicContact CG-CG1 3.68Å; I466-V471 HydrophobicContact CB-CG2 4.14Å; I466-V471 HydrophobicContact CD1-CB 4.44Å; I466-V471 HydrophobicContact CD1-CG2 4.09Å; K467-V471 PolarHBondContact O-N 2.98Å; P468-V471 PolarHBondContact O-N 3.47Å; V471-Q473 PolarHBondContact O-N 2.88Å; V471-R474 PolarHBondContact O-N 3.5Å; V471-W475 WeakPolarHBondContact O-CB 3.32Å; V471-W475 PolarHBondContact O-N 2.53Å
472	Y	96.4	Very high	88.3	Confident	9 Å²	9	55.8 Å²	55.8	4%	0.035	27%	0.271	C	S	.	.	I	π-helix	trans	-58.6	-47.6	176.3	177.7	-96.5	0	0	0	111.7	T288 W289 I352 P468 V469 R474 L476 S477	T288-Y472 HydrophobicContact CG2-CD1 3.81Å; T288-Y472 HydrophobicContact CG2-CD2 4.45Å; T288-Y472 HydrophobicContact CG2-CG 3.76Å; W289-Y472 HydrophobicContact CB-CE2 3.69Å; W289-Y472 HydrophobicContact CG-CE2 4.44Å; I352-Y472 WeakPolarHBondContact O-CE2 3.48Å; P468-Y472 WeakPolarHBondContact O-CB 3.46Å; P468-Y472 PolarHBondContact O-N 3.39Å; V469-Y472 PolarHBondContact O-N 2.01Å; Y472-R474 PolarHBondContact O-N 3.2Å; Y472-L476 HydrophobicContact CD2-CB 3.65Å; Y472-L476 HydrophobicContact CD2-CD1 3.95Å; Y472-L476 HydrophobicContact CD2-CG 4.44Å; Y472-L476 HydrophobicContact CE2-CB 3.85Å; Y472-L476 HydrophobicContact CG-CB 4.37Å; Y472-L476 CarbonylContact O-C 3.55Å; Y472-L476 WeakPolarHBondContact O-CA 3.23Å; Y472-L476 PolarHBondContact O-N 2.85Å; Y472-S477 PolarHBondContact O-N 3.49Å
473	Q	94.6	Very high	86.5	Confident	49 Å²	49	55.4 Å²	55.4	23%	0.229	27%	0.273	C	S	.	.	I	π-helix	trans	-61.3	-45	178.5	-73.7	171.2	-9.1	0	0	112.1	V469 A470 V471 S477 L486	V469-Q473 WeakPolarHBondContact O-CB 3.33Å; V469-Q473 VanDerWaalsContact O-CG 3.26Å; V469-Q473 WeakPolarHBondContact O-CG 3.35Å; V469-Q473 PolarHBondContact O-N 2.78Å; A470-Q473 PolarHBondContact O-N 3.2Å; V471-Q473 PolarHBondContact O-N 2.88Å; Q473-S477 PolarHBondContact O-OG 3.25Å; Q473-L486 HydrophobicContact CB-CD1 4.07Å
474	R	91.8	Very high	84.5	Confident	70 Å²	70	62.7 Å²	62.7	26%	0.264	31%	0.307	S	S	.	.	I	π-helix	trans	-65.9	-49.3	-179.7	-178.5	174.3	-176.7	174.5	3.9	112.1	A470 V471 Y472 R482 L486 R490 L493	A470-R474 WeakPolarHBondContact O-CB 3.49Å; A470-R474 PolarHBondContact O-N 3.29Å; V471-R474 PolarHBondContact O-N 3.5Å; Y472-R474 PolarHBondContact O-N 3.2Å; R474-R482 PolarHBondContact O-NH2 3.37Å; R474-L486 HydrophobicContact CB-CD2 4.49Å; R474-R490 PolarHBondContact NH2-O 3.5Å; R474-L493 PolarHBondContact NH1-O 2.64Å
475	W	93.1	Very high	82.9	Confident	47 Å²	47	65.5 Å²	65.5	18%	0.178	32%	0.318	C	S	.	.	I	π-helix	trans	-101	-37.6	-165.2	-66.8	106	0	0	0	114.1	R356 L452 F460 V471	R356-W475 VanDerWaalsContact CZ-O 3.3Å; R356-W475 PolarHBondContact NH1-O 3.07Å; R356-W475 PolarHBondContact NH2-O 3.15Å; L452-W475 HydrophobicContact CB-CH2 3.9Å; L452-W475 HydrophobicContact CB-CZ3 3.72Å; L452-W475 HydrophobicContact CD1-CH2 4.3Å; F460-W475 HydrophobicContact CD2-CB 4.39Å; F460-W475 HydrophobicContact CE2-CB 3.74Å; F460-W475 HydrophobicContact CE2-CG 4.08Å; V471-W475 WeakPolarHBondContact O-CB 3.32Å; V471-W475 PolarHBondContact O-N 2.53Å
476	L	94.9	Very high	81	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.293	C	S	.	.	I	π-helix	trans	-112	-22.1	-164	-61.9	178.6	0	0	0	114	L351 S353 P457 I458 F460 Y472	L351-L476 VanDerWaalsContact C-CD1 3.47Å; L351-L476 HydrophobicContact CB-CD1 3.57Å; L351-L476 VanDerWaalsContact O-CD1 3.32Å; L351-L476 WeakPolarHBondContact O-CD1 3.42Å; S353-L476 WeakPolarHBondContact CB-O 3.47Å; S353-L476 PolarHBondContact OG-O 3.48Å; P457-L476 HydrophobicContact CB-CD2 3.98Å; P457-L476 VanDerWaalsContact O-CD2 3.29Å; P457-L476 WeakPolarHBondContact O-CD2 3.38Å; I458-L476 WeakPolarHBondContact O-CD2 3.33Å; F460-L476 HydrophobicContact CD2-CD1 4.16Å; F460-L476 HydrophobicContact CD2-CD2 4.05Å; F460-L476 HydrophobicContact CD2-CG 4.17Å; F460-L476 HydrophobicContact CE2-CD2 4.12Å; F460-L476 HydrophobicContact CE2-CG 4.49Å; Y472-L476 HydrophobicContact CD2-CB 3.65Å; Y472-L476 HydrophobicContact CD2-CD1 3.95Å; Y472-L476 HydrophobicContact CD2-CG 4.44Å; Y472-L476 HydrophobicContact CE2-CB 3.85Å; Y472-L476 HydrophobicContact CG-CB 4.37Å; Y472-L476 CarbonylContact O-C 3.55Å; Y472-L476 WeakPolarHBondContact O-CA 3.23Å; Y472-L476 PolarHBondContact O-N 2.85Å
477	S	90.7	Very high	78.8	Confident	4 Å²	4	63.9 Å²	63.9	3%	0.028	31%	0.313	C	S	.	.	S	Bend	trans	-68.9	145.6	174	79.6	0	0	0	0	111.5	R356 Y472 Q473 R482	R356-S477 PolarHBondContact NH2-O 3.18Å; Y472-S477 PolarHBondContact O-N 3.49Å; Q473-S477 PolarHBondContact O-OG 3.25Å; S477-R482 VanDerWaalsContact OG-CG 3.24Å; S477-R482 WeakPolarHBondContact OG-CG 3.46Å
478	E	82.9	Confident	76	Confident	19 Å²	19	63 Å²	63	9%	0.089	32%	0.315	C	S	.	.			trans	-70.4	148.1	173	-66.4	-61.8	118.7	0	0	110.3	P355 R356 R359 D480 Q481 R482	P355-E478 HydrophobicContact CB-CG 4.12Å; P355-E478 HydrophobicContact CG-CG 4.35Å; R356-E478 WeakPolarHBondContact CG-OE1 3.04Å; R356-E478 IonicContact CZ-OE1 2.66Å; R356-E478 IonicContact NE-OE1 3.19Å; R356-E478 PolarHBondContact NE-OE1 3.42Å; R356-E478 IonicContact NH2-OE1 3.67Å; R359-E478 IonicContact CZ-OE2 3.13Å; R359-E478 VanDerWaalsContact CZ-OE2 3.24Å; R359-E478 IonicContact NH1-OE1 3.23Å; R359-E478 PolarHBondContact NH1-OE1 2.99Å; R359-E478 IonicContact NH1-OE2 3.13Å; R359-E478 PolarHBondContact NH1-OE2 3.27Å; R359-E478 IonicContact NH2-OE1 3.45Å; R359-E478 IonicContact NH2-OE2 2.67Å; R359-E478 PolarHBondContact NH2-OE2 3.33Å; E478-D480 WeakPolarHBondContact CB-OD1 3Å; E478-D480 PolarHBondContact O-N 3.36Å; E478-D480 VanDerWaalsContact O-N 3.14Å; E478-Q481 HydrophobicContact CB-CG 4.32Å; E478-Q481 WeakPolarHBondContact O-CA 3.49Å; E478-Q481 WeakPolarHBondContact O-CB 3.38Å; E478-Q481 PolarHBondContact O-N 3.47Å; E478-R482 PolarHBondContact O-N 3.32Å
479	P	73.6	Confident	73.2	Confident	93 Å²	93	67 Å²	67	60%	0.604	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-55.7	-33.4	-174	-26.9	35	0	0	0	114.5	Q481 R482	P479-Q481 PolarHBondContact O-N 2.93Å; P479-R482 PolarHBondContact O-N 3.46Å
480	D	68.1	Low	70.7	Confident	138 Å²	138	75.4 Å²	75.4	74%	0.738	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-72.2	-15.3	176.6	62.2	-32.3	0	0	0	113.7	E478	E478-D480 WeakPolarHBondContact CB-OD1 3Å; E478-D480 PolarHBondContact O-N 3.36Å; E478-D480 VanDerWaalsContact O-N 3.14Å
481	Q	60.6	Low	67.9	Low	74 Å²	74	82.7 Å²	82.7	35%	0.346	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-101.2	-1.4	178.4	-58.1	-173.6	0.2	0	0	113.2	E478 P479	E478-Q481 HydrophobicContact CB-CG 4.32Å; E478-Q481 WeakPolarHBondContact O-CA 3.49Å; E478-Q481 WeakPolarHBondContact O-CB 3.38Å; E478-Q481 PolarHBondContact O-N 3.47Å; P479-Q481 PolarHBondContact O-N 2.93Å
482	R	62.2	Low	64.9	Low	80 Å²	80	89.2 Å²	89.2	30%	0.302	43%	0.426	S	S	.	.	S	Bend	trans	-75.2	133.2	-179.9	-71.1	180	-172	-174.1	-0.2	110.7	R474 S477 E478 P479 H484	R474-R482 PolarHBondContact O-NH2 3.37Å; S477-R482 VanDerWaalsContact OG-CG 3.24Å; S477-R482 WeakPolarHBondContact OG-CG 3.46Å; E478-R482 PolarHBondContact O-N 3.32Å; P479-R482 PolarHBondContact O-N 3.46Å; R482-H484 PolarHBondContact O-N 2.03Å
483	P	56.3	Low	62.1	Low	34 Å²	34	96.2 Å²	96.2	22%	0.221	46%	0.463	C	S	.	.			trans	-56.7	139	169.3	-20.8	31.3	0	0	0	110.9	W485 L486	P483-W485 HydrophobicContact CB-CD2 4.28Å; P483-W485 HydrophobicContact CB-CG 4.25Å; P483-W485 HydrophobicContact CB-CZ2 4.2Å; P483-W485 HydrophobicContact CG-CZ2 4.22Å; P483-W485 PolarHBondContact O-N 3.5Å; P483-L486 HydrophobicContact CB-CD1 4.5Å; P483-L486 HydrophobicContact CG-CD1 4.12Å; P483-L486 WeakPolarHBondContact O-CB 3.25Å; P483-L486 PolarHBondContact O-N 3.42Å
484	H	52.8	Low	60.4	Low	179 Å²	179	98.6 Å²	98.6	83%	0.829	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-17.3	-178.1	-74.9	-66.3	0	0	0	115.2	R482 T487	R482-H484 PolarHBondContact O-N 2.03Å; H484-T487 PolarHBondContact O-OG1 3.2Å
485	W	54.9	Low	58.8	Low	176 Å²	176	100.1 Å²	100.1	67%	0.667	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-7.9	177.4	56.9	-96.6	0	0	0	113.8	P483	P483-W485 HydrophobicContact CB-CD2 4.28Å; P483-W485 HydrophobicContact CB-CG 4.25Å; P483-W485 HydrophobicContact CB-CZ2 4.2Å; P483-W485 HydrophobicContact CG-CZ2 4.22Å; P483-W485 PolarHBondContact O-N 3.5Å
486	L	52.3	Low	56.9	Low	34 Å²	34	103 Å²	103	18%	0.178	50%	0.503	C	S	.	.	S	Bend	trans	-96.9	-3.4	177.8	-107.3	139.7	0	0	0	113	Q473 R474 P483	Q473-L486 HydrophobicContact CB-CD1 4.07Å; R474-L486 HydrophobicContact CB-CD2 4.49Å; P483-L486 HydrophobicContact CB-CD1 4.5Å; P483-L486 HydrophobicContact CG-CD1 4.12Å; P483-L486 WeakPolarHBondContact O-CB 3.25Å; P483-L486 PolarHBondContact O-N 3.42Å
487	T	47.7	Very low	54.7	Low	92 Å²	92	109.1 Å²	109.1	56%	0.564	53%	0.533	S	S	*	.	S	Bend	trans	-82.8	-17.7	179.8	45.6	0	0	0	0	113.5	H484	H484-T487 PolarHBondContact O-OG1 3.2Å
488	D	38	Very low	52.4	Low	130 Å²	130	115.6 Å²	115.6	70%	0.695	56%	0.564	S	S	*	*	S	Bend	trans	-101.8	128.4	171.6	-83.8	-36.8	0	0	0	109.1
489	T	38.8	Very low	50.4	Low	104 Å²	104	122.1 Å²	122.1	64%	0.638	60%	0.596	S	S	*	*			trans	79.8	97.4	178.8	70.3	0	0	0	0	116.2	E491	T489-E491 PolarHBondContact O-N 3.45Å
490	R	43.1	Very low	48.7	Very low	204 Å²	204	124.1 Å²	124.1	77%	0.77	60%	0.596	S	S	*	*	S	Bend	trans	-73.7	-3.9	163.8	-104.5	178.3	162.6	-178.6	-7.6	112.9	R474	R474-R490 PolarHBondContact NH2-O 3.5Å
491	E	36.4	Very low	47.2	Very low	180 Å²	180	123.1 Å²	123.1	84%	0.841	59%	0.585	S	S	*	*	S	Bend	trans	-107.4	-14.1	-160.9	-76.6	-179.5	161.6	0	0	116.3	T489	T489-E491 PolarHBondContact O-N 3.45Å
492	E	34.1	Very low	46.1	Very low	158 Å²	158	127.2 Å²	127.2	74%	0.738	61%	0.605	S	S	*	*			trans	-130.3	99.1	-177.1	-68.6	-175.1	168.2	0	0	111.4
493	L	36.5	Very low	44.6	Very low	155 Å²	155	131.5 Å²	131.5	81%	0.812	63%	0.632	S	S	*	*			trans	179.7	0	150.8	-97.8	168.1	0	0	0	111.1	R474	R474-L493 PolarHBondContact NH1-O 2.64Å

Retrieved 493 of 493 residues in 856.3 ms (Link to these results)

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