A0A3Q0KNA4_SCHMA Loading...

WD repeat-containing protein 79

AlphaFold DB , UniProt , Accession A0A3Q0KNA4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 631 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	30.6	Very low	27.6	Very low	240 Å²	240	153.6 Å²	153.6	100%	1.182	80%	0.801	S	S	*	*				0	92.1	0	-73	-169.8	-180	0	0	107.1
2	N	30	Very low	27.2	Very low	163 Å²	163	155.8 Å²	155.8	87%	0.872	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-75.5	129.2	167.5	-75.6	-11.8	0	0	0	106.8
3	P	30.1	Very low	26.8	Very low	107 Å²	107	157.2 Å²	157.2	70%	0.695	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-66.7	157.4	178.5	29.3	-32.6	0	0	0	110	I5	P3-I5 PolarHBondContact O-N 2.8Å
4	P	29.2	Very low	26.8	Very low	122 Å²	122	154.5 Å²	154.5	79%	0.792	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-62.1	129.9	-175.1	26.1	-32.4	0	0	0	109.6	E6	P4-E6 PolarHBondContact O-N 3.17Å
5	I	30.1	Very low	26.6	Very low	150 Å²	150	152.7 Å²	152.7	77%	0.769	80%	0.8	S	S	*	*			trans	-65.4	103.1	173.8	-63.7	164.5	0	0	0	106.2	P3 N7	P3-I5 PolarHBondContact O-N 2.8Å; I5-N7 PolarHBondContact O-N 3.32Å
6	E	25.4	Very low	26.8	Very low	158 Å²	158	155.9 Å²	155.9	74%	0.738	81%	0.805	S	S	*	*			trans	-61.6	106.4	165	-80.8	-176.1	165.5	0	0	107.4	P4 K8	P4-E6 PolarHBondContact O-N 3.17Å; E6-K8 PolarHBondContact O-N 2.68Å
7	N	28.4	Very low	27	Very low	145 Å²	145	155.1 Å²	155.1	78%	0.775	80%	0.803	S	S	*	*			trans	-63.3	85.4	169.4	-75	-19.5	0	0	0	108.8	I5 L9	I5-N7 PolarHBondContact O-N 3.32Å; N7-L9 VanDerWaalsContact C-N 3.35Å; N7-L9 PolarHBondContact O-N 3.31Å
8	K	23.4	Very low	27.3	Very low	171 Å²	171	154.3 Å²	154.3	74%	0.743	80%	0.8	S	S	*	*			trans	-73	93.2	166.5	-90.3	-178	176.4	173.3	0	108.5	E6 I10	E6-K8 PolarHBondContact O-N 2.68Å; K8-I10 PolarHBondContact O-N 2.95Å; K8-I10 VanDerWaalsContact O-N 3.1Å
9	L	27.8	Very low	28	Very low	158 Å²	158	153.2 Å²	153.2	83%	0.827	80%	0.801	S	S	*	*			trans	-60	105.2	161.9	-110.3	142.6	0	0	0	108.3	N7	N7-L9 VanDerWaalsContact C-N 3.35Å; N7-L9 PolarHBondContact O-N 3.31Å
10	I	22.7	Very low	28.1	Very low	137 Å²	137	152.8 Å²	152.8	70%	0.703	80%	0.799	S	S	*	*			trans	-93.9	100.5	171.8	-59.2	174.2	0	0	0	106.9	K8 K12	K8-I10 PolarHBondContact O-N 2.95Å; K8-I10 VanDerWaalsContact O-N 3.1Å; I10-K12 HydrophobicContact CG2-CG 4.41Å; I10-K12 PolarHBondContact O-N 2.75Å
11	I	25.8	Very low	28.2	Very low	139 Å²	139	150.8 Å²	150.8	71%	0.713	80%	0.797	S	S	*	*			trans	-73.7	106.5	169.8	-56	170.8	0	0	0	106.7
12	K	22.4	Very low	27.9	Very low	179 Å²	179	147 Å²	147	78%	0.778	78%	0.776	S	S	*	*			trans	-87.9	104.4	167.3	-90	-176.6	173.9	177.4	0	108.4	I10 C14	I10-K12 HydrophobicContact CG2-CG 4.41Å; I10-K12 PolarHBondContact O-N 2.75Å; K12-C14 PolarHBondContact O-N 2.8Å; K12-C14 VanDerWaalsContact O-N 3.14Å
13	E	22.7	Very low	28	Very low	175 Å²	175	146.8 Å²	146.8	82%	0.818	77%	0.768	S	S	*	*			trans	-66.5	105	163.4	-81	-179.5	147.2	0	0	108.8	T15	E13-T15 PolarHBondContact O-N 2.7Å
14	C	26.1	Very low	27.7	Very low	119 Å²	119	147.4 Å²	147.4	80%	0.804	77%	0.77	S	S	*	*			trans	-86.1	99.1	166.5	-81.7	0	0	0	0	108.6	K12 K16	K12-C14 PolarHBondContact O-N 2.8Å; K12-C14 VanDerWaalsContact O-N 3.14Å; C14-K16 PolarHBondContact O-N 2.89Å
15	T	24.4	Very low	27.8	Very low	128 Å²	128	147.2 Å²	147.2	79%	0.785	76%	0.762	S	S	*	*			trans	-72.5	102.9	167.7	55	0	0	0	0	109	E13	E13-T15 PolarHBondContact O-N 2.7Å
16	K	30.2	Very low	27.6	Very low	203 Å²	203	145 Å²	145	88%	0.883	76%	0.755	S	S	*	*			trans	-122	136.4	157.9	-95.3	-172.8	176.1	-179.6	0	110.2	C14	C14-K16 PolarHBondContact O-N 2.89Å
17	N	29.8	Very low	27.8	Very low	143 Å²	143	142.8 Å²	142.8	77%	0.765	75%	0.748	S	S	*	*			trans	-65.2	152.1	-171.3	-66	-20.5	0	0	0	113.3
18	D	31.8	Very low	27.6	Very low	140 Å²	140	141.4 Å²	141.4	75%	0.749	74%	0.744	S	S	*	*	S	Bend	trans	70.9	106.8	152.9	-60.2	-28.3	0	0	0	119.7	D20	D18-D20 PolarHBondContact O-N 3.15Å
19	T	41.7	Very low	27.9	Very low	134 Å²	134	138.5 Å²	138.5	82%	0.822	74%	0.736	S	S	*	*	S	Bend	trans	79.3	-17.9	148.6	48.4	0	0	0	0	122.9
20	D	29.6	Very low	28.4	Very low	145 Å²	145	136.8 Å²	136.8	78%	0.775	74%	0.737	S	S	*	*			trans	-138.4	105	169.1	-73.3	-50.6	0	0	0	110	D18 E22	D18-D20 PolarHBondContact O-N 3.15Å; D20-E22 PolarHBondContact O-N 2.89Å; D20-E22 VanDerWaalsContact O-N 3.1Å
21	C	30	Very low	28.9	Very low	110 Å²	110	136.9 Å²	136.9	74%	0.743	74%	0.739	S	S	*	*			trans	-81.5	84.2	176.8	-66.8	0	0	0	0	109.5	F23	C21-F23 HydrophobicContact CB-CD2 4.32Å; C21-F23 HydrophobicContact CB-CE2 3.82Å; C21-F23 HydrophobicContact CB-CZ 4.35Å; C21-F23 PolarHBondContact O-N 2.95Å
22	E	25.4	Very low	29.2	Very low	161 Å²	161	133.3 Å²	133.3	75%	0.752	74%	0.737	S	S	*	*			trans	-77.2	109.2	159.3	-74.4	-178.1	173.8	0	0	108.7	D20 T24	D20-E22 PolarHBondContact O-N 2.89Å; D20-E22 VanDerWaalsContact O-N 3.1Å; E22-T24 PolarHBondContact O-N 2.74Å
23	F	30.6	Very low	29.4	Very low	159 Å²	159	131 Å²	131	70%	0.697	73%	0.732	S	S	*	*			trans	-85.6	98	172.2	-71.5	-83.5	0	0	0	109.2	C21 N25	C21-F23 HydrophobicContact CB-CD2 4.32Å; C21-F23 HydrophobicContact CB-CE2 3.82Å; C21-F23 HydrophobicContact CB-CZ 4.35Å; C21-F23 PolarHBondContact O-N 2.95Å; F23-N25 PolarHBondContact O-N 2.82Å
24	T	25.4	Very low	29.8	Very low	119 Å²	119	126.2 Å²	126.2	73%	0.73	72%	0.718	S	S	*	*			trans	-88.4	100.4	166	47	0	0	0	0	109.3	E22 T26	E22-T24 PolarHBondContact O-N 2.74Å; T24-T26 PolarHBondContact O-N 2.93Å
25	N	29.8	Very low	29.8	Very low	118 Å²	118	126.9 Å²	126.9	63%	0.631	71%	0.713	S	S	*	*			trans	-85.3	102.7	169.3	-80	-28.2	0	0	0	109	F23 I27	F23-N25 PolarHBondContact O-N 2.82Å; N25-I27 PolarHBondContact O-N 2.82Å
26	T	27.3	Very low	29.8	Very low	103 Å²	103	129.7 Å²	129.7	63%	0.632	72%	0.717	S	S	*	*			trans	-76.5	108.8	174	-33	0	0	0	0	109.9	T24 V28	T24-T26 PolarHBondContact O-N 2.93Å; T26-V28 HydrophobicContact CG2-CG2 4.45Å; T26-V28 PolarHBondContact O-N 3.04Å
27	I	28	Very low	29.6	Very low	113 Å²	113	126.5 Å²	126.5	58%	0.579	71%	0.706	S	S	*	*			trans	-83.5	102	171.2	-59.4	172.6	0	0	0	107.7	N25 L29	N25-I27 PolarHBondContact O-N 2.82Å; I27-L29 HydrophobicContact CG2-CD2 4.22Å; I27-L29 HydrophobicContact CG2-CG 4.24Å; I27-L29 PolarHBondContact O-N 3.31Å
28	V	25.7	Very low	29.2	Very low	115 Å²	115	124.5 Å²	124.5	70%	0.697	71%	0.709	S	S	*	*			trans	-83.9	96.3	171.2	-176.6	0	0	0	0	107.9	T26	T26-V28 HydrophobicContact CG2-CG2 4.45Å; T26-V28 PolarHBondContact O-N 3.04Å
29	L	28	Very low	28.9	Very low	111 Å²	111	125.8 Å²	125.8	58%	0.581	71%	0.708	S	S	*	*			trans	-66.7	144.4	166.2	-67.6	172.8	0	0	0	108.7	I27 N31 G32	I27-L29 HydrophobicContact CG2-CD2 4.22Å; I27-L29 HydrophobicContact CG2-CG 4.24Å; I27-L29 PolarHBondContact O-N 3.31Å; L29-N31 PolarHBondContact O-N 2.79Å; L29-G32 PolarHBondContact O-N 2.72Å
30	S	38.6	Very low	28	Very low	121 Å²	121	127.6 Å²	127.6	85%	0.846	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-4.2	-173.9	56.1	0	0	0	0	115.4
31	N	34.4	Very low	27.9	Very low	139 Å²	139	125.6 Å²	125.6	74%	0.743	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	13.3	175.8	-64.4	1.2	0	0	0	113.4	L29 L33	L29-N31 PolarHBondContact O-N 2.79Å; N31-L33 PolarHBondContact O-N 2.8Å; N31-L33 VanDerWaalsContact O-N 3.17Å
32	G	31.4	Very low	27.8	Very low	64 Å²	64	126.4 Å²	126.4	66%	0.66	71%	0.705	S	S	*	*	S	Bend	trans	71.7	8.7	169.3	0	0	0	0	0	115.4	L29	L29-G32 PolarHBondContact O-N 2.72Å
33	L	27.6	Very low	28.4	Very low	130 Å²	130	121.3 Å²	121.3	68%	0.681	68%	0.683	S	S	*	*			trans	-96.3	109.2	173.3	-69.9	166.1	0	0	0	108.9	N31	N31-L33 PolarHBondContact O-N 2.8Å; N31-L33 VanDerWaalsContact O-N 3.17Å
34	S	30	Very low	29.1	Very low	76 Å²	76	117.9 Å²	117.9	53%	0.531	68%	0.679	S	S	.	*			trans	-83.1	114.6	167.5	50.6	0	0	0	0	108.7
35	L	26.3	Very low	30.1	Very low	133 Å²	133	113.7 Å²	113.7	70%	0.696	65%	0.652	S	S	*	*			trans	-88.2	112.4	165.9	-102	122.7	0	0	0	108.4	E37	L35-E37 HydrophobicContact CD2-CG 4.16Å; L35-E37 PolarHBondContact O-N 3.5Å
36	E	25.1	Very low	31.1	Very low	186 Å²	186	108.7 Å²	108.7	87%	0.869	63%	0.625	S	S	*	*			trans	-85.7	82	166.9	-71.6	-173.7	164.1	0	0	108.6
37	E	25.2	Very low	32.2	Very low	136 Å²	136	107.7 Å²	107.7	64%	0.636	62%	0.622	S	S	*	*			trans	-97.7	98.3	163.3	-76.7	-173.5	176.9	0	0	108.7	L35 F39	L35-E37 HydrophobicContact CD2-CG 4.16Å; L35-E37 PolarHBondContact O-N 3.5Å; E37-F39 HydrophobicContact CB-CD2 4.36Å; E37-F39 HydrophobicContact CB-CE2 4.23Å; E37-F39 PolarHBondContact O-N 2.83Å
38	A	22.7	Very low	33	Very low	101 Å²	101	110.7 Å²	110.7	84%	0.835	63%	0.63	S	S	*	*			trans	-73.5	90	175	0	0	0	0	0	110	E40	A38-E40 PolarHBondContact O-N 3.36Å
39	F	24.4	Very low	33.6	Very low	167 Å²	167	106.8 Å²	106.8	73%	0.732	61%	0.605	S	S	*	*			trans	-83.7	103.7	160.2	-76.8	-84.1	0	0	0	108.8	E37 C41	E37-F39 HydrophobicContact CB-CD2 4.36Å; E37-F39 HydrophobicContact CB-CE2 4.23Å; E37-F39 PolarHBondContact O-N 2.83Å; F39-C41 VanDerWaalsContact C-N 3.28Å; F39-C41 PolarHBondContact O-N 3.17Å
40	E	22	Very low	33.9	Very low	173 Å²	173	110.4 Å²	110.4	81%	0.808	62%	0.616	S	S	*	*			trans	-62.4	87.5	165.7	-84.7	-174.2	154	0	0	109.9	A38	A38-E40 PolarHBondContact O-N 3.36Å
41	C	27.6	Very low	33.5	Very low	103 Å²	103	109.1 Å²	109.1	70%	0.696	61%	0.608	S	S	*	*			trans	-92.3	93.8	163.5	-84.8	0	0	0	0	108.9	F39 N43	F39-C41 VanDerWaalsContact C-N 3.28Å; F39-C41 PolarHBondContact O-N 3.17Å; C41-N43 PolarHBondContact O-N 3.15Å
42	T	29.5	Very low	33.2	Very low	126 Å²	126	105.9 Å²	105.9	77%	0.773	59%	0.594	S	S	*	*			trans	-71.3	29.9	178	50.8	0	0	0	0	114.3	S44	T42-S44 PolarHBondContact O-N 2.97Å
43	N	38.1	Very low	33	Very low	54 Å²	54	111.1 Å²	111.1	29%	0.289	60%	0.602	S	S	.	*			trans	-92.8	72.1	179.4	-80.5	-32	0	0	0	111.5	C41 L45	C41-N43 PolarHBondContact O-N 3.15Å; N43-L45 PolarHBondContact O-N 3.18Å
44	S	43.4	Very low	32.9	Very low	87 Å²	87	110.9 Å²	110.9	61%	0.608	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-66.8	10.3	164	80.1	0	0	0	0	113.6	T42 F46 S47	T42-S44 PolarHBondContact O-N 2.97Å; S44-F46 VanDerWaalsContact C-N 3.25Å; S44-F46 PolarHBondContact O-N 3.13Å; S44-S47 PolarHBondContact O-N 3.42Å; S44-S47 PolarHBondContact O-OG 2.77Å
45	L	48.2	Very low	32.7	Very low	32 Å²	32	114.5 Å²	114.5	17%	0.168	62%	0.619	C	S	.	*	G	3₁₀ helix	trans	-63.8	-29.5	-168.9	-148.3	137.4	0	0	0	112.8	N43 Q310 V325	N43-L45 PolarHBondContact O-N 3.18Å; L45-Q310 HydrophobicContact CD1-CG 4.2Å; L45-V325 HydrophobicContact CD2-CB 4.48Å; L45-V325 HydrophobicContact CD2-CG1 4.36Å
46	F	48.8	Very low	32.8	Very low	13 Å²	13	110.9 Å²	110.9	6%	0.057	62%	0.615	C	S	.	*	G	3₁₀ helix	trans	-105.2	-8.8	-174.8	-64.9	-92.2	0	0	0	114.6	S44 K48 L49 Y252 I261 C264	S44-F46 VanDerWaalsContact C-N 3.25Å; S44-F46 PolarHBondContact O-N 3.13Å; F46-K48 PolarHBondContact O-N 3.29Å; F46-L49 HydrophobicContact CB-CD1 4.34Å; F46-L49 HydrophobicContact CD1-CD1 3.39Å; F46-L49 HydrophobicContact CE1-CD1 4.01Å; F46-L49 HydrophobicContact CG-CD1 4.16Å; F46-L49 PolarHBondContact O-N 2.82Å; F46-Y252 HydrophobicContact CE2-CE1 4.08Å; F46-Y252 HydrophobicContact CE2-CE2 4.41Å; F46-Y252 AromaticContact CE2-CZ 3.87Å; F46-Y252 HydrophobicContact CZ-CD1 4.49Å; F46-Y252 HydrophobicContact CZ-CD2 4.32Å; F46-Y252 HydrophobicContact CZ-CE1 4.1Å; F46-Y252 AromaticContact CZ-CE2 3.92Å; F46-Y252 HydrophobicContact CZ-CE2 3.92Å; F46-Y252 AromaticContact CZ-CZ 3.83Å; F46-I261 HydrophobicContact CB-CB 4.46Å; F46-I261 HydrophobicContact CB-CG2 3.13Å; F46-I261 HydrophobicContact CD1-CG2 4.36Å; F46-I261 HydrophobicContact CD2-CG2 3.34Å; F46-I261 HydrophobicContact CE2-CG2 4.31Å; F46-I261 HydrophobicContact CG-CG2 3.39Å; F46-C264 VanDerWaalsContact CE1-SG 3.58Å
47	S	50.7	Low	32.9	Very low	81 Å²	81	108.7 Å²	108.7	57%	0.566	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-21.3	172.4	65	0	0	0	0	111.7	S44	S44-S47 PolarHBondContact O-N 3.42Å; S44-S47 PolarHBondContact O-OG 2.77Å
48	K	46	Very low	32.9	Very low	176 Å²	176	108.7 Å²	108.7	77%	0.765	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-14.4	174.6	-65	-178.8	-179.1	175.7	0	114.6	F46 K50	F46-K48 PolarHBondContact O-N 3.29Å; K48-K50 PolarHBondContact O-N 3.09Å
49	L	38.6	Very low	33.1	Very low	33 Å²	33	109.4 Å²	109.4	17%	0.173	61%	0.612	C	S	.	*			trans	-89.6	70.7	-179	-71.9	165.6	0	0	0	109.9	F46 A286 P328	F46-L49 HydrophobicContact CB-CD1 4.34Å; F46-L49 HydrophobicContact CD1-CD1 3.39Å; F46-L49 HydrophobicContact CE1-CD1 4.01Å; F46-L49 HydrophobicContact CG-CD1 4.16Å; F46-L49 PolarHBondContact O-N 2.82Å; L49-A286 HydrophobicContact CD2-CB 4.29Å; L49-P328 HydrophobicContact CD2-CG 3.5Å; L49-P328 VanDerWaalsContact CD2-CG 3.5Å
50	K	33.7	Very low	33.2	Very low	187 Å²	187	109.3 Å²	109.3	81%	0.813	61%	0.614	S	S	*	*			trans	-66.9	140.4	161	-82.2	-175	176.5	-179.4	0	108.8	K48	K48-K50 PolarHBondContact O-N 3.09Å
51	S	29.7	Very low	33.2	Very low	95 Å²	95	109 Å²	109	66%	0.664	62%	0.618	S	S	*	*			trans	-44.8	126	174.9	53	0	0	0	0	110.5	E53	S51-E53 PolarHBondContact O-N 3.5Å
52	P	29.3	Very low	33.2	Very low	71 Å²	71	110 Å²	110	46%	0.461	62%	0.621	S	S	.	*			trans	-64.2	135.9	176.1	25	-30.5	0	0	0	109.3	R285	P52-R285 WeakPolarHBondContact CD-O 3.2Å
53	E	26.1	Very low	32.9	Very low	174 Å²	174	107.4 Å²	107.4	81%	0.813	62%	0.619	S	S	*	*			trans	-57.2	141.2	161	-71.8	-175.6	165.4	0	0	108.3	S51 I55	S51-E53 PolarHBondContact O-N 3.5Å; E53-I55 PolarHBondContact O-N 2.93Å
54	P	26.5	Very low	32.2	Very low	125 Å²	125	108.4 Å²	108.4	81%	0.812	64%	0.642	S	S	*	*			trans	-58	112.3	-177	23.8	-32.4	0	0	0	109.1	G56	P54-G56 PolarHBondContact O-N 3.32Å
55	I	25.9	Very low	31.3	Very low	151 Å²	151	115.2 Å²	115.2	77%	0.774	66%	0.656	S	S	*	*			trans	-61.7	107	166.8	-63.7	166.2	0	0	0	105	E53	E53-I55 PolarHBondContact O-N 2.93Å
56	G	27.1	Very low	30	Very low	58 Å²	58	125 Å²	125	60%	0.598	69%	0.69	S	S	*	*			trans	-52.1	142.9	175.8	0	0	0	0	0	109.9	P54 V58	P54-G56 PolarHBondContact O-N 3.32Å; G56-V58 PolarHBondContact O-N 2.9Å
57	D	27.4	Very low	28.9	Very low	140 Å²	140	131.7 Å²	131.7	75%	0.749	73%	0.727	S	S	*	*			trans	-41.3	126.3	178.4	-74.3	-43.4	0	0	0	109.9	T59	D57-T59 PolarHBondContact O-N 3.03Å
58	V	25.6	Very low	27.7	Very low	136 Å²	136	132.9 Å²	132.9	82%	0.824	73%	0.733	S	S	*	*			trans	-65	84.7	169	178.9	0	0	0	0	106.2	G56 E60	G56-V58 PolarHBondContact O-N 2.9Å; V58-E60 PolarHBondContact O-N 2.57Å
59	T	26.6	Very low	26.8	Very low	115 Å²	115	130.6 Å²	130.6	71%	0.706	73%	0.734	S	S	*	*			trans	-71.1	113.9	166.2	51.3	0	0	0	0	106.1	D57 N61	D57-T59 PolarHBondContact O-N 3.03Å; T59-N61 PolarHBondContact O-N 3.46Å
60	E	26.4	Very low	26.2	Very low	165 Å²	165	136.9 Å²	136.9	77%	0.771	77%	0.767	S	S	*	*			trans	-46.6	128	170.5	-71.9	179	152.1	0	0	109.6	V58 T62	V58-E60 PolarHBondContact O-N 2.57Å; E60-T62 PolarHBondContact O-N 2.81Å
61	N	22.7	Very low	25.7	Very low	168 Å²	168	132.2 Å²	132.2	90%	0.898	76%	0.764	S	S	*	*			trans	-61.7	82.6	167.2	-82.7	-27.3	0	0	0	108.7	T59 G63	T59-N61 PolarHBondContact O-N 3.46Å; N61-G63 VanDerWaalsContact C-N 3.28Å; N61-G63 PolarHBondContact O-N 3.08Å
62	T	27.6	Very low	25.4	Very low	124 Å²	124	133 Å²	133	76%	0.761	77%	0.769	S	S	*	*			trans	-72.1	95.3	158.1	52.1	0	0	0	0	106.4	E60 G64	E60-T62 PolarHBondContact O-N 2.81Å; T62-G64 PolarHBondContact O-N 3.2Å
63	G	23.7	Very low	25	Very low	71 Å²	71	135.3 Å²	135.3	73%	0.732	78%	0.782	S	S	*	*			trans	-46.5	129	168.7	0	0	0	0	0	109.7	N61 Y65	N61-G63 VanDerWaalsContact C-N 3.28Å; N61-G63 PolarHBondContact O-N 3.08Å; G63-Y65 PolarHBondContact O-N 3.26Å
64	G	21.8	Very low	24.7	Very low	74 Å²	74	134 Å²	134	76%	0.763	78%	0.779	S	S	*	*			trans	-58.8	125.1	-177.5	0	0	0	0	0	111.9	T62	T62-G64 PolarHBondContact O-N 3.2Å
65	Y	24.7	Very low	24.3	Very low	230 Å²	230	132.4 Å²	132.4	90%	0.902	77%	0.771	S	S	*	*			trans	-115.1	109.4	141.3	-114	-95	0	0	0	106.6	G63 D67	G63-Y65 PolarHBondContact O-N 3.26Å; Y65-D67 PolarHBondContact O-N 2.89Å
66	R	21	Very low	24	Very low	238 Å²	238	132.4 Å²	132.4	90%	0.898	77%	0.772	S	S	*	*			trans	-76.3	113.6	169.5	-79.4	176.4	171	173.1	-3	107
67	D	25.6	Very low	23.7	Very low	153 Å²	153	136.7 Å²	136.7	82%	0.818	79%	0.787	S	S	*	*			trans	-103.5	118.1	152	-96.2	-27.9	0	0	0	108.4	Y65	Y65-D67 PolarHBondContact O-N 2.89Å
68	P	27	Very low	23.3	Very low	107 Å²	107	138.3 Å²	138.3	70%	0.695	79%	0.79	S	S	*	*			trans	-93.8	100.4	179.3	33.3	-25.2	0	0	0	109.1
69	T	25.1	Very low	23.2	Very low	128 Å²	128	138 Å²	138	79%	0.785	79%	0.791	S	S	*	*			trans	173.6	99.3	152	23.9	0	0	0	0	107.7
70	D	27.2	Very low	22.8	Very low	164 Å²	164	142 Å²	142	88%	0.877	80%	0.799	S	S	*	*				177.2	104.7	123.7	-88.3	-14.7	0	0	0	109.7
71	A	21.9	Very low	22.4	Very low	89 Å²	89	141.8 Å²	141.8	74%	0.736	80%	0.803	S	S	*	*			trans	-77.6	153.8	160.6	0	0	0	0	0	108.9
72	S	23.6	Very low	22.5	Very low	111 Å²	111	139 Å²	139	78%	0.776	80%	0.796	S	S	*	*			trans	100.7	114.5	153.4	82.8	0	0	0	0	118.5
73	V	21.4	Very low	22.3	Very low	120 Å²	120	137.4 Å²	137.4	73%	0.727	79%	0.79	S	S	*	*				93.7	103.9	122.4	172.3	0	0	0	0	120
74	I	19.9	Very low	22.1	Very low	146 Å²	146	144 Å²	144	75%	0.749	80%	0.799	S	S	*	*				69.8	125	123.9	-56.1	177.7	0	0	0	121.8
75	S	19.2	Very low	22.2	Very low	92 Å²	92	148.9 Å²	148.9	64%	0.643	81%	0.807	S	S	*	*			trans	77.9	123.6	141.9	70.8	0	0	0	0	123.5
76	N	18.3	Very low	22	Very low	152 Å²	152	142.5 Å²	142.5	81%	0.813	80%	0.796	S	S	*	*			trans	37.7	113.8	130.5	-62.2	-9.2	0	0	0	119.6
77	T	21.4	Very low	22	Very low	147 Å²	147	137 Å²	137	90%	0.902	79%	0.791	S	S	*	*			trans	-160.9	148.1	133.5	18.9	0	0	0	0	111.8
78	E	18.3	Very low	21.9	Very low	174 Å²	174	138.5 Å²	138.5	81%	0.813	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-58.4	150.8	-173.7	-58.3	167	146.6	0	0	115.5
79	P	23.6	Very low	21.5	Very low	131 Å²	131	143.1 Å²	143.1	85%	0.851	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-92	116.5	169.5	32.9	-25.8	0	0	0	111.2
80	K	19.2	Very low	21.4	Very low	198 Å²	198	142.9 Å²	142.9	86%	0.861	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-81.6	144.8	161.2	-85.1	-179.9	175	172.6	0	110.6
81	D	17.7	Very low	21	Very low	161 Å²	161	140.7 Å²	140.7	86%	0.861	80%	0.797	S	S	*	*			trans	-45.8	136	169.5	-64.1	-54	0	0	0	114.3
82	S	24.1	Very low	21.1	Very low	108 Å²	108	143.3 Å²	143.3	76%	0.755	80%	0.799	S	S	*	*				177	129.6	126.3	56.3	0	0	0	0	113.9
83	S	23.1	Very low	20.9	Very low	92 Å²	92	145.1 Å²	145.1	64%	0.643	80%	0.799	S	S	*	*			trans	64	112.4	138.9	61.2	0	0	0	0	122.6
84	F	20.6	Very low	21	Very low	210 Å²	210	146.5 Å²	146.5	92%	0.921	80%	0.802	S	S	*	*				42.6	104.8	127	-64.6	-82.6	0	0	0	118.8
85	L	23.4	Very low	20.9	Very low	176 Å²	176	146.4 Å²	146.4	92%	0.921	80%	0.803	S	S	*	*			trans	-127.5	117.4	154.5	-79	165.5	0	0	0	109.7
86	S	19.5	Very low	21.1	Very low	96 Å²	96	148.6 Å²	148.6	67%	0.671	81%	0.806	S	S	*	*			trans	-72.3	149.4	170.6	44	0	0	0	0	111.2	E88	S86-E88 PolarHBondContact O-N 3.3Å
87	P	22.9	Very low	21.1	Very low	123 Å²	123	150 Å²	150	80%	0.799	81%	0.808	S	S	*	*			trans	-86	107.7	179.3	16.9	-1.2	0	0	0	110.3
88	E	21.8	Very low	21.1	Very low	183 Å²	183	150.1 Å²	150.1	86%	0.855	80%	0.803	S	S	*	*			trans	-80	134	165.2	-76.2	-174.4	157.4	0	0	110.4	S86 C90	S86-E88 PolarHBondContact O-N 3.3Å; E88-C90 PolarHBondContact O-N 3.16Å
89	F	19.6	Very low	21.1	Very low	205 Å²	205	147.4 Å²	147.4	90%	0.899	80%	0.803	S	S	*	*			trans	-71.8	117.1	176.8	-80.6	-102.4	0	0	0	110.3
90	C	21.8	Very low	21.1	Very low	122 Å²	122	145.7 Å²	145.7	82%	0.824	80%	0.8	S	S	*	*			trans	-97.9	105.9	164.3	-81.3	0	0	0	0	110.1	E88	E88-C90 PolarHBondContact O-N 3.16Å
91	T	19.8	Very low	21	Very low	118 Å²	118	145.8 Å²	145.8	72%	0.724	80%	0.8	S	S	*	*			trans	-78.2	110.5	164.8	48.8	0	0	0	0	109.4
92	N	23.6	Very low	21.2	Very low	145 Å²	145	144.4 Å²	144.4	78%	0.775	80%	0.797	S	S	*	*			trans	-109.7	96.2	163	-78.9	-20.4	0	0	0	108.6
93	L	19.8	Very low	20.9	Very low	148 Å²	148	146 Å²	146	78%	0.775	80%	0.798	S	S	*	*			trans	-62.8	123.7	156.8	-106.8	89.3	0	0	0	107.8
94	L	22.8	Very low	20.8	Very low	149 Å²	149	149.4 Å²	149.4	78%	0.78	81%	0.808	S	S	*	*			trans	-126.8	112.2	153	-94.7	107.3	0	0	0	108.6	I96	L94-I96 PolarHBondContact O-N 2.95Å
95	D	18.9	Very low	20.7	Very low	145 Å²	145	143.4 Å²	143.4	78%	0.775	79%	0.793	S	S	*	*			trans	-62.4	117.9	165.7	-71.4	-43.8	0	0	0	109.4
96	I	22.3	Very low	20.5	Very low	137 Å²	137	143.9 Å²	143.9	70%	0.703	79%	0.787	S	S	*	*			trans	-123.1	95.7	161.1	-61.4	180	0	0	0	107.4	L94 N98	L94-I96 PolarHBondContact O-N 2.95Å; I96-N98 PolarHBondContact O-N 3.16Å
97	Q	18.4	Very low	20.6	Very low	183 Å²	183	147.6 Å²	147.6	86%	0.855	79%	0.794	S	S	*	*			trans	-59.7	119.8	154.4	-71.8	178.9	-16.5	0	0	108.1
98	N	22.4	Very low	20.3	Very low	148 Å²	148	148.4 Å²	148.4	79%	0.791	80%	0.797	S	S	*	*			trans	-143	98.6	150.2	-97.5	-29.4	0	0	0	109.4	I96 A100	I96-N98 PolarHBondContact O-N 3.16Å; N98-A100 PolarHBondContact O-N 3.08Å
99	S	18.6	Very low	20.3	Very low	118 Å²	118	143.6 Å²	143.6	83%	0.825	80%	0.797	S	S	*	*			trans	-62.5	115.8	159.6	51.9	0	0	0	0	109.8
100	A	22.4	Very low	20.2	Very low	95 Å²	95	138.4 Å²	138.4	79%	0.785	79%	0.792	S	S	*	*			trans	-128.2	92.3	157.6	0	0	0	0	0	108.1	N98 V102	N98-A100 PolarHBondContact O-N 3.08Å; A100-V102 PolarHBondContact O-N 3.05Å
101	K	18.2	Very low	20.1	Very low	199 Å²	199	141.5 Å²	141.5	87%	0.865	79%	0.794	S	S	*	*			trans	-67.1	117.3	159.3	-78.6	174	173	175	0	107.5
102	V	20.7	Very low	20.2	Very low	132 Å²	132	140.5 Å²	140.5	80%	0.8	79%	0.792	S	S	*	*			trans	-136.5	109.6	149.5	179.7	0	0	0	0	107.5	A100	A100-V102 PolarHBondContact O-N 3.05Å
103	N	18.1	Very low	20	Very low	143 Å²	143	143 Å²	143	77%	0.765	80%	0.799	S	S	*	*			trans	-63.3	137.8	162.4	-70.3	-26.2	0	0	0	108.6
104	N	22.1	Very low	20	Very low	162 Å²	162	145.2 Å²	145.2	87%	0.866	80%	0.802	S	S	*	*			trans	-153.7	125.9	132.2	-96.2	-19.1	0	0	0	110.2
105	S	18.6	Very low	19.8	Very low	84 Å²	84	146.4 Å²	146.4	59%	0.587	80%	0.804	S	S	*	*			trans	-97.5	163.1	-176.3	46.5	0	0	0	0	111.1
106	F	19.3	Very low	19.8	Very low	186 Å²	186	147.2 Å²	147.2	82%	0.816	81%	0.807	S	S	*	*			trans	74.6	136.2	168.2	-62.4	-83.4	0	0	0	114.5
107	Q	20.2	Very low	19.5	Very low	174 Å²	174	148.2 Å²	148.2	81%	0.813	81%	0.807	S	S	*	*			cis	-158.8	145.7	29.3	-136.9	161.2	14.3	0	0	109.4
108	T	17.9	Very low	19.6	Very low	141 Å²	141	149 Å²	149	87%	0.865	81%	0.808	S	S	*	*			trans	-66.4	127.3	167.8	45.7	0	0	0	0	110.9
109	G	20.5	Very low	19.4	Very low	82 Å²	82	150 Å²	150	85%	0.845	81%	0.808	S	S	*	*			trans	-131.1	99.6	164.6	0	0	0	0	0	108.3
110	A	18	Very low	19.4	Very low	95 Å²	95	148.6 Å²	148.6	79%	0.785	80%	0.803	S	S	*	*			trans	-100.7	122	164.7	0	0	0	0	0	106.1
111	E	20.6	Very low	19.3	Very low	188 Å²	188	153.4 Å²	153.4	88%	0.879	81%	0.811	S	S	*	*			trans	-160.4	107.3	160.3	-112.5	166.6	-151.4	0	0	111.1
112	S	20.4	Very low	19.4	Very low	96 Å²	96	150.1 Å²	150.1	67%	0.671	81%	0.808	S	S	*	*			trans	45.6	106.5	144.9	59.9	0	0	0	0	120.4
113	E	19	Very low	19.3	Very low	199 Å²	199	151.9 Å²	151.9	93%	0.93	81%	0.813	S	S	*	*			trans	-58.8	129.5	145.8	-63.8	172.9	156.1	0	0	109.7
114	K	19.9	Very low	19.5	Very low	194 Å²	194	154 Å²	154	84%	0.843	82%	0.818	S	S	*	*			trans	-119.1	115.1	167.1	-91.6	-174.7	175.9	178.5	0	109
115	E	18.6	Very low	19.3	Very low	173 Å²	173	150.8 Å²	150.8	81%	0.808	81%	0.809	S	S	*	*			trans	-57.5	134.6	164.7	-65.3	171.5	144.5	0	0	110.4
116	L	20	Very low	19.4	Very low	162 Å²	162	153.5 Å²	153.5	85%	0.848	82%	0.817	S	S	*	*			trans	-109.3	99.5	165.4	-92.9	161.5	0	0	0	107.7
117	F	16.2	Very low	19.5	Very low	159 Å²	159	149.7 Å²	149.7	70%	0.697	81%	0.813	S	S	*	*			trans	-73.2	134.8	158.5	-93.4	-99.7	0	0	0	109.2
118	F	19.5	Very low	19.4	Very low	199 Å²	199	149.6 Å²	149.6	87%	0.873	81%	0.813	S	S	*	*			trans	-126.7	113.1	150.8	-106.1	-84.3	0	0	0	108.3
119	E	17.6	Very low	19.5	Very low	170 Å²	170	149.2 Å²	149.2	79%	0.794	81%	0.805	S	S	*	*			trans	-78.1	169.8	170.2	-79.3	179.3	133	0	0	112.1
120	A	19.6	Very low	19.5	Very low	88 Å²	88	153.6 Å²	153.6	73%	0.727	80%	0.801	S	S	*	*			trans	98.4	101.4	150.8	0	0	0	0	0	116.9
121	M	20	Very low	19.5	Very low	195 Å²	195	157.3 Å²	157.3	96%	0.961	80%	0.802	S	S	*	*				-146.9	116.4	113	-77.7	-143.2	170.5	0	0	110
122	T	20.4	Very low	19.5	Very low	130 Å²	130	155.8 Å²	155.8	80%	0.798	80%	0.8	S	S	*	*			trans	-81.9	125.8	177	42.2	0	0	0	0	110.6
123	N	19.9	Very low	19.4	Very low	169 Å²	169	155.9 Å²	155.9	90%	0.904	80%	0.801	S	S	*	*			trans	-93.3	117.5	161.4	-80.3	-26.8	0	0	0	108.4
124	Q	20.8	Very low	19.5	Very low	187 Å²	187	156.3 Å²	156.3	87%	0.874	80%	0.8	S	S	*	*			trans	-113.6	134.7	165.4	-91.5	-176.9	-12.5	0	0	109.6
125	S	17.3	Very low	19.3	Very low	95 Å²	95	156.4 Å²	156.4	66%	0.664	80%	0.803	S	S	*	*			trans	-56.8	155.8	165.5	50.9	0	0	0	0	112.3
126	D	20.7	Very low	19.4	Very low	142 Å²	142	156.3 Å²	156.3	76%	0.759	81%	0.805	S	S	*	*				174.1	142	118.8	-83.4	-10.2	0	0	0	113.5
127	S	22.3	Very low	19.3	Very low	105 Å²	105	156.4 Å²	156.4	73%	0.734	81%	0.806	S	S	*	*			trans	63.4	114.3	148	58.9	0	0	0	0	119.9
128	E	17.2	Very low	19.4	Very low	172 Å²	172	157 Å²	157	80%	0.804	81%	0.812	S	S	*	*				60.7	103.8	81.6	-71.2	-167.7	170.8	0	0	115.8
129	N	20.3	Very low	19.4	Very low	133 Å²	133	153.5 Å²	153.5	71%	0.711	81%	0.81	S	S	*	*				164.4	134.8	117.7	-92.1	-62	0	0	0	115.2
130	K	21.5	Very low	19.5	Very low	175 Å²	175	151.8 Å²	151.8	76%	0.761	81%	0.812	S	S	*	*			trans	67.2	115	138.8	-69.6	179.1	178	-179.6	0	122.7
131	Q	17.1	Very low	19.6	Very low	173 Å²	173	154 Å²	154	81%	0.808	81%	0.811	S	S	*	*				21.3	117.2	123.2	-75	166.2	-33.6	0	0	118.1
132	D	21.4	Very low	19.7	Very low	156 Å²	156	150.3 Å²	150.3	83%	0.834	80%	0.799	S	S	*	*				-168.4	142.8	109.8	-96.7	-23.7	0	0	0	111.6
133	S	17.4	Very low	19.7	Very low	98 Å²	98	152.1 Å²	152.1	69%	0.685	80%	0.799	S	S	*	*			trans	-69.5	130.2	177	48.5	0	0	0	0	112.7
134	F	21.5	Very low	19.7	Very low	208 Å²	208	147 Å²	147	91%	0.912	78%	0.78	S	S	*	*			trans	-151.3	118.9	146.5	-90.4	-76.6	0	0	0	109.8	M136	F134-M136 PolarHBondContact O-N 3.33Å
135	E	16.7	Very low	19.7	Very low	195 Å²	195	146.6 Å²	146.6	91%	0.911	78%	0.778	S	S	*	*			trans	-65.1	122.1	167.3	-69.3	172.2	147.5	0	0	109.6
136	M	19	Very low	20.1	Very low	172 Å²	172	150.6 Å²	150.6	85%	0.847	79%	0.786	S	S	*	*			trans	-138.5	114.7	154.9	-88.3	-92.1	-90.9	0	0	106.9	F134 E138	F134-M136 PolarHBondContact O-N 3.33Å; M136-E138 PolarHBondContact O-N 2.77Å
137	N	18.3	Very low	20.3	Very low	163 Å²	163	148.7 Å²	148.7	87%	0.872	78%	0.784	S	S	*	*			trans	-61.9	114.6	168.4	-72.9	-39	0	0	0	109.2
138	E	19.3	Very low	20.5	Very low	173 Å²	173	151.4 Å²	151.4	81%	0.808	79%	0.785	S	S	*	*			trans	-154.7	113.4	157.3	-112.7	169.5	-162.3	0	0	109.4	M136	M136-E138 PolarHBondContact O-N 2.77Å
139	C	18.7	Very low	20.8	Very low	125 Å²	125	149.6 Å²	149.6	85%	0.845	78%	0.781	S	S	*	*			trans	45.1	77.8	155.7	-59.3	0	0	0	0	117.2	N141	C139-N141 PolarHBondContact O-N 2.99Å
140	T	20.5	Very low	21.2	Very low	134 Å²	134	148.9 Å²	148.9	82%	0.822	78%	0.776	S	S	*	*			trans	-62.1	108.5	152.4	39.7	0	0	0	0	108.4	V142	T140-V142 VanDerWaalsContact C-N 3.33Å; T140-V142 PolarHBondContact O-N 3.45Å
141	N	21.9	Very low	21.2	Very low	134 Å²	134	148.1 Å²	148.1	72%	0.717	78%	0.777	S	S	*	*			trans	-48.5	96.2	165.2	-153.4	8.7	0	0	0	108.6	C139 Q143	C139-N141 PolarHBondContact O-N 2.99Å; N141-Q143 PolarHBondContact O-N 3Å
142	V	20.7	Very low	21.7	Very low	117 Å²	117	145.6 Å²	145.6	71%	0.709	77%	0.773	S	S	*	*			trans	-71.7	83.6	160.6	177.7	0	0	0	0	104.7	T140 A144	T140-V142 VanDerWaalsContact C-N 3.33Å; T140-V142 PolarHBondContact O-N 3.45Å; V142-A144 HydrophobicContact CG1-CB 3.58Å; V142-A144 PolarHBondContact O-N 2.78Å
143	Q	21	Very low	22.1	Very low	169 Å²	169	144.9 Å²	144.9	79%	0.79	77%	0.768	S	S	*	*			trans	-75.3	75.8	147.2	-78.9	-175.1	-32.4	0	0	105.9	N141	N141-Q143 PolarHBondContact O-N 3Å
144	A	20.6	Very low	22.7	Very low	61 Å²	61	148.6 Å²	148.6	50%	0.504	78%	0.775	S	S	.	*			trans	-73.8	145.9	146	0	0	0	0	0	106.5	V142	V142-A144 HydrophobicContact CG1-CB 3.58Å; V142-A144 PolarHBondContact O-N 2.78Å
145	E	21.1	Very low	23.8	Very low	178 Å²	178	147.7 Å²	147.7	83%	0.832	77%	0.765	S	S	*	*			trans	79.9	117	173.4	-48.7	175.2	-179.4	0	0	111.5
146	E	25.3	Very low	25.4	Very low	179 Å²	179	142.8 Å²	142.8	84%	0.836	74%	0.742	S	S	*	*			cis	-138	138.6	37.2	-76	168	157.8	0	0	111.8	E148	E146-E148 VanDerWaalsContact C-N 3.33Å; E146-E148 PolarHBondContact O-N 3.38Å
147	S	24.9	Very low	27.2	Very low	102 Å²	102	143 Å²	143	71%	0.713	74%	0.739	S	S	*	*			trans	-66.1	98.4	162.2	-60.9	0	0	0	0	106.9	N149	S147-N149 PolarHBondContact O-N 2.77Å
148	E	26.9	Very low	29.5	Very low	162 Å²	162	136.3 Å²	136.3	76%	0.757	70%	0.703	S	S	*	*			trans	-69.2	68.8	147.6	-79.2	-166.4	173.5	0	0	107.5	E146 I150	E146-E148 VanDerWaalsContact C-N 3.33Å; E146-E148 PolarHBondContact O-N 3.38Å; E148-I150 HydrophobicContact CB-CD1 4.49Å; E148-I150 HydrophobicContact CB-CG1 4.25Å; E148-I150 PolarHBondContact O-N 3.03Å
149	N	22.8	Very low	32	Very low	134 Å²	134	130.1 Å²	130.1	72%	0.717	68%	0.676	S	S	*	*			trans	-68.1	66	147	-78	-35.1	0	0	0	106.2	S147 M151	S147-N149 PolarHBondContact O-N 2.77Å; N149-M151 PolarHBondContact O-N 3.3Å
150	I	27.9	Very low	34.9	Very low	118 Å²	118	124.8 Å²	124.8	61%	0.605	64%	0.638	S	S	*	*			trans	-59.2	98.8	149.6	-65.3	170.9	0	0	0	101.9	E148 V152	E148-I150 HydrophobicContact CB-CD1 4.49Å; E148-I150 HydrophobicContact CB-CG1 4.25Å; E148-I150 PolarHBondContact O-N 3.03Å; I150-V152 PolarHBondContact O-N 2.91Å
151	M	22.9	Very low	37.5	Very low	159 Å²	159	119.4 Å²	119.4	78%	0.783	60%	0.604	S	S	*	*			trans	-55.7	89.7	167.4	-72.2	-174	-168.1	0	0	105.3	N149 L153	N149-M151 PolarHBondContact O-N 3.3Å; M151-L153 PolarHBondContact O-N 2.92Å
152	V	27.8	Very low	39.9	Very low	120 Å²	120	121.4 Å²	121.4	73%	0.727	60%	0.603	S	S	*	*			trans	-63	84.4	149.1	-177.9	0	0	0	0	102.2	I150 E154	I150-V152 PolarHBondContact O-N 2.91Å; V152-E154 PolarHBondContact O-N 2.68Å
153	L	28.3	Very low	42.4	Very low	142 Å²	142	116.7 Å²	116.7	74%	0.743	58%	0.575	S	S	*	*			trans	-49.5	101.2	159.5	-80.9	156.3	0	0	0	103.1	M151 R155	M151-L153 PolarHBondContact O-N 2.92Å; L153-R155 VanDerWaalsContact C-N 3.28Å; L153-R155 PolarHBondContact O-N 2.86Å
154	E	31.8	Very low	45.3	Very low	175 Å²	175	112.7 Å²	112.7	82%	0.818	57%	0.566	S	S	*	*			trans	-50.4	108.5	165.2	-74.7	-169.8	149.9	0	0	103.4	V152 E156	V152-E154 PolarHBondContact O-N 2.68Å; E154-E156 VanDerWaalsContact C-N 3.27Å; E154-E156 PolarHBondContact O-N 2.97Å
155	R	43.7	Very low	48.5	Very low	190 Å²	190	111.2 Å²	111.2	72%	0.717	55%	0.551	S	S	*	*			trans	-53.2	102.9	178.2	-70.5	178.2	-179.7	-180	-1.1	105.1	L153 K157	L153-R155 VanDerWaalsContact C-N 3.28Å; L153-R155 PolarHBondContact O-N 2.86Å; R155-K157 PolarHBondContact O-N 3.03Å
156	E	49.6	Very low	51.7	Low	92 Å²	92	107.6 Å²	107.6	43%	0.43	53%	0.532	S	S	.	.			trans	-49.9	114	174.5	-75.1	-176.1	163.6	0	0	105.2	E154 V158 L627	E154-E156 VanDerWaalsContact C-N 3.27Å; E154-E156 PolarHBondContact O-N 2.97Å; E156-V158 VanDerWaalsContact C-N 3.3Å; E156-V158 PolarHBondContact O-N 2.96Å; E156-L627 HydrophobicContact CB-CD2 3.98Å; E156-L627 WeakPolarHBondContact OE2-CB 3.46Å
157	K	58.2	Low	54.8	Low	177 Å²	177	100.9 Å²	100.9	77%	0.77	50%	0.504	S	S	*	.			trans	-71.6	93.2	-168.1	-76.9	178	-178.4	166.3	0	107.8	R155 N159	R155-K157 PolarHBondContact O-N 3.03Å; K157-N159 PolarHBondContact O-N 2.92Å; K157-N159 VanDerWaalsContact O-N 3.13Å
158	V	65	Low	57.9	Low	21 Å²	21	96.1 Å²	96.1	13%	0.127	47%	0.47	C	S	.	.			trans	-58.3	118.4	173.3	-178.7	0	0	0	0	107.6	E156 W160 P505 F625 L627	E156-V158 VanDerWaalsContact C-N 3.3Å; E156-V158 PolarHBondContact O-N 2.96Å; V158-W160 HydrophobicContact CG1-CD2 4Å; V158-W160 HydrophobicContact CG1-CE3 4.5Å; V158-W160 HydrophobicContact CG1-CG 4.22Å; V158-W160 HydrophobicContact CG1-CZ2 4.46Å; V158-W160 PolarHBondContact O-N 2.99Å; V158-P505 HydrophobicContact CB-CB 4.29Å; V158-P505 HydrophobicContact CG1-CB 3.84Å; V158-P505 HydrophobicContact CG2-CB 3.61Å; V158-P505 HydrophobicContact CG2-CG 4.19Å; V158-F625 HydrophobicContact CG1-CB 3.97Å; V158-L627 HydrophobicContact CG2-CD2 3.33Å; V158-L627 HydrophobicContact CG2-CG 4.45Å
159	N	72.4	Confident	61	Low	43 Å²	43	88.4 Å²	88.4	23%	0.23	43%	0.434	C	S	.	.			trans	-94.1	86	175.2	-163.6	-9.7	0	0	0	109.5	K157 M161 Y162 S163 Y455 L628	K157-N159 PolarHBondContact O-N 2.92Å; K157-N159 VanDerWaalsContact O-N 3.13Å; N159-M161 PolarHBondContact O-N 3.39Å; N159-M161 VanDerWaalsContact O-N 3.09Å; N159-Y162 VanDerWaalsContact CG-CD2 3.46Å; N159-Y162 WeakPolarHBondContact ND2-CD2 3.4Å; N159-Y162 PolarHBondContact O-N 3.16Å; N159-Y162 WeakPolarHBondContact OD1-CD2 3.44Å; N159-S163 PolarHBondContact O-N 2.88Å; N159-S163 PolarHBondContact O-OG 3.33Å; N159-Y455 PolarHBondContact OD1-OH 2.94Å; N159-L628 HydrophobicContact CB-CD1 3.49Å; N159-L628 VanDerWaalsContact CB-CD1 3.49Å
160	W	79.2	Confident	64.4	Low	13 Å²	13	84.3 Å²	84.3	5%	0.049	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.5	-178.3	-59.3	91.5	0	0	0	114.1	V158 Y455 F457 V500 P505 I507 F625	V158-W160 HydrophobicContact CG1-CD2 4Å; V158-W160 HydrophobicContact CG1-CE3 4.5Å; V158-W160 HydrophobicContact CG1-CG 4.22Å; V158-W160 HydrophobicContact CG1-CZ2 4.46Å; V158-W160 PolarHBondContact O-N 2.99Å; W160-Y455 HydrophobicContact CB-CG 4.49Å; W160-Y455 AromaticContact CD1-CD2 3.33Å; W160-Y455 AromaticContact CD1-CE2 3.46Å; W160-Y455 VanDerWaalsContact CD1-CE2 3.46Å; W160-Y455 HydrophobicContact CG-CD2 4.17Å; W160-Y455 HydrophobicContact CG-CE2 4.38Å; W160-Y455 HydrophobicContact CG-CG 4.49Å; W160-F457 HydrophobicContact CB-CE1 4.34Å; W160-F457 HydrophobicContact CB-CZ 3.82Å; W160-F457 HydrophobicContact CD2-CE1 4.49Å; W160-F457 HydrophobicContact CD2-CE2 4.31Å; W160-F457 AromaticContact CD2-CZ 3.59Å; W160-F457 HydrophobicContact CD2-CZ 3.59Å; W160-F457 HydrophobicContact CE3-CE1 4.2Å; W160-F457 HydrophobicContact CE3-CE2 4.48Å; W160-F457 AromaticContact CE3-CZ 3.64Å; W160-F457 HydrophobicContact CE3-CZ 3.64Å; W160-F457 AromaticContact CG-CZ 3.7Å; W160-F457 HydrophobicContact CG-CZ 3.7Å; W160-F457 HydrophobicContact CZ3-CZ 4.33Å; W160-V500 HydrophobicContact CH2-CG1 4.46Å; W160-P505 HydrophobicContact CH2-CB 4.1Å; W160-P505 HydrophobicContact CZ2-CB 4.31Å; W160-I507 HydrophobicContact CE3-CD1 3.91Å; W160-I507 HydrophobicContact CE3-CG1 4.42Å; W160-I507 HydrophobicContact CH2-CD1 4.4Å; W160-I507 HydrophobicContact CH2-CG1 4.08Å; W160-I507 HydrophobicContact CZ3-CD1 3.59Å; W160-I507 HydrophobicContact CZ3-CG1 3.6Å; W160-F625 HydrophobicContact CD2-CG 4.44Å; W160-F625 HydrophobicContact CE3-CB 4.06Å; W160-F625 AromaticContact CE3-CD1 3.8Å; W160-F625 HydrophobicContact CE3-CD1 3.8Å; W160-F625 AromaticContact CE3-CD2 3.29Å; W160-F625 HydrophobicContact CE3-CD2 3.29Å; W160-F625 AromaticContact CE3-CE1 3.97Å; W160-F625 HydrophobicContact CE3-CE1 3.97Å; W160-F625 AromaticContact CE3-CE2 3.51Å; W160-F625 HydrophobicContact CE3-CE2 3.51Å; W160-F625 AromaticContact CE3-CG 3.43Å; W160-F625 HydrophobicContact CE3-CG 3.43Å; W160-F625 VanDerWaalsContact CE3-CG 3.43Å; W160-F625 AromaticContact CE3-CZ 3.82Å; W160-F625 HydrophobicContact CE3-CZ 3.82Å; W160-F625 HydrophobicContact CH2-CD2 4.35Å; W160-F625 HydrophobicContact CZ3-CB 4.25Å; W160-F625 HydrophobicContact CZ3-CD1 4.48Å; W160-F625 AromaticContact CZ3-CD2 3.13Å; W160-F625 HydrophobicContact CZ3-CD2 3.13Å; W160-F625 AromaticContact CZ3-CE2 3.44Å; W160-F625 HydrophobicContact CZ3-CE2 3.44Å; W160-F625 VanDerWaalsContact CZ3-CE2 3.44Å; W160-F625 AromaticContact CZ3-CG 3.72Å; W160-F625 HydrophobicContact CZ3-CG 3.72Å; W160-F625 HydrophobicContact CZ3-CZ 4.22Å
161	M	75.6	Confident	67.6	Low	21 Å²	21	78.7 Å²	78.7	10%	0.103	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-34.5	-176.9	-81.6	-166	150.8	0	0	114.5	N159 Y455 D469 Y484 S486	N159-M161 PolarHBondContact O-N 3.39Å; N159-M161 VanDerWaalsContact O-N 3.09Å; M161-Y455 HydrophobicContact CG-CE1 4Å; M161-Y455 HydrophobicContact SD-CE1 4.47Å; M161-D469 HydrophobicContact CE-CB 3.37Å; M161-D469 HydrophobicContact SD-CB 3.64Å; M161-Y484 WeakPolarHBondContact CE-O 3.29Å; M161-S486 WeakPolarHBondContact O-CB 3.43Å; M161-S486 PolarHBondContact O-OG 2.77Å
162	Y	71.5	Confident	70.8	Confident	177 Å²	177	72.9 Å²	72.9	69%	0.694	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-0.8	-168.8	-58.4	-90.4	0	0	0	113.4	N159	N159-Y162 VanDerWaalsContact CG-CD2 3.46Å; N159-Y162 WeakPolarHBondContact ND2-CD2 3.4Å; N159-Y162 PolarHBondContact O-N 3.16Å; N159-Y162 WeakPolarHBondContact OD1-CD2 3.44Å
163	S	74.8	Confident	73.7	Confident	18 Å²	18	69.8 Å²	69.8	13%	0.126	34%	0.336	C	S	.	.	S	Bend	trans	-95.8	135	176.6	43.2	0	0	0	0	110.1	N159 P165 F625	N159-S163 PolarHBondContact O-N 2.88Å; N159-S163 PolarHBondContact O-OG 3.33Å; S163-P165 WeakPolarHBondContact O-CD 3.25Å; S163-F625 WeakPolarHBondContact OG-CD1 3.4Å
164	S	80.5	Confident	76.4	Confident	85 Å²	85	65.4 Å²	65.4	59%	0.594	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-76.4	117.5	172.8	58.3	0	0	0	0	109
165	P	88.1	Confident	79.1	Confident	30 Å²	30	57.3 Å²	57.3	20%	0.195	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-68.8	141.1	-179.5	28.3	-33.9	0	0	0	110.9	S163 W488 W623 T624 F625	S163-P165 WeakPolarHBondContact O-CD 3.25Å; P165-W488 HydrophobicContact CG-CB 4.19Å; P165-W488 HydrophobicContact CG-CD2 3.94Å; P165-W488 HydrophobicContact CG-CG 3.7Å; P165-W623 HydrophobicContact CB-CB 4.36Å; P165-W623 HydrophobicContact CB-CE3 3.86Å; P165-W623 HydrophobicContact CG-CE3 4.23Å; P165-T624 WeakPolarHBondContact CA-O 3.09Å; P165-F625 HydrophobicContact CB-CD1 4.15Å; P165-F625 HydrophobicContact CB-CD2 4.36Å; P165-F625 HydrophobicContact CB-CE1 3.72Å; P165-F625 HydrophobicContact CB-CE2 3.93Å; P165-F625 HydrophobicContact CB-CG 4.49Å; P165-F625 HydrophobicContact CB-CZ 3.61Å; P165-F625 HydrophobicContact CG-CE1 4.16Å; P165-F625 HydrophobicContact CG-CZ 4.21Å
166	K	88.8	Confident	80.8	Confident	101 Å²	101	54 Å²	54	44%	0.439	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140.5	175.1	-68.7	-177.2	177.4	179.3	0	110	I168 L226 W623 T624	K166-I168 PolarHBondContact O-N 2.77Å; K166-L226 PolarHBondContact NZ-O 3.42Å; K166-W623 CarbonylContact O-C 3.57Å; K166-W623 VanDerWaalsContact O-CA 3.3Å; K166-W623 WeakPolarHBondContact O-CA 3.43Å; K166-T624 HydrophobicContact CB-CG2 4.17Å; K166-T624 PolarHBondContact N-O 3.33Å; K166-T624 PolarHBondContact O-N 3.07Å
167	V	90.4	Very high	81.4	Confident	39 Å²	39	53.8 Å²	53.8	24%	0.236	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	123.5	172.5	-176.9	0	0	0	0	108.4	P231 K621 L622 W623	V167-P231 HydrophobicContact CB-CB 4.46Å; V167-P231 HydrophobicContact CG1-CB 3.95Å; V167-K621 HydrophobicContact CG2-CD 4.43Å; V167-L622 CarbonylContact C-O 3.36Å; V167-L622 WeakPolarHBondContact CA-O 3.38Å; V167-W623 HydrophobicContact CG2-CD2 4.06Å; V167-W623 HydrophobicContact CG2-CE3 3.66Å; V167-W623 HydrophobicContact CG2-CH2 3.52Å; V167-W623 HydrophobicContact CG2-CZ2 3.86Å; V167-W623 HydrophobicContact CG2-CZ3 3.41Å; V167-W623 VanDerWaalsContact CG2-CZ3 3.41Å
168	I	90.2	Very high	81.1	Confident	2 Å²	2	51 Å²	51	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-41.2	173.5	-49.2	167.5	0	0	0	111.3	K166 V218 Y228 P231 E232 I506 L622 T624	K166-I168 PolarHBondContact O-N 2.77Å; I168-V218 HydrophobicContact CB-CG2 4.47Å; I168-V218 HydrophobicContact CD1-CG1 3.73Å; I168-V218 HydrophobicContact CD1-CG2 4.1Å; I168-V218 HydrophobicContact CG2-CG2 3.59Å; I168-Y228 HydrophobicContact CG1-CD2 4.48Å; I168-Y228 HydrophobicContact CG1-CE2 3.99Å; I168-Y228 HydrophobicContact CG2-CD1 4.06Å; I168-Y228 HydrophobicContact CG2-CD2 4.42Å; I168-Y228 HydrophobicContact CG2-CE1 3.56Å; I168-Y228 HydrophobicContact CG2-CE2 3.93Å; I168-Y228 HydrophobicContact CG2-CG 4.48Å; I168-P231 CarbonylContact O-C 3.56Å; I168-P231 WeakPolarHBondContact O-CA 3.42Å; I168-P231 WeakPolarHBondContact O-CB 3.23Å; I168-E232 PolarHBondContact O-N 3.46Å; I168-I506 HydrophobicContact CD1-CG1 4.49Å; I168-L622 PolarHBondContact N-O 3.49Å; I168-T624 HydrophobicContact CD1-CG2 3.58Å; I168-T624 HydrophobicContact CG1-CG2 3.32Å
169	A	92.5	Very high	80.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	156.4	-173.6	0	0	0	0	0	111.1	P215 E232 M234 L622	A169-P215 HydrophobicContact CB-CG 3.97Å; A169-E232 CarbonylContact C-O 3.48Å; A169-E232 WeakPolarHBondContact CA-O 3.35Å; A169-E232 HydrophobicContact CB-CB 4.39Å; A169-E232 WeakPolarHBondContact CB-O 3.3Å; A169-M234 HydrophobicContact CB-CE 4.13Å; A169-M234 HydrophobicContact CB-CG 3.87Å; A169-M234 HydrophobicContact CB-SD 3.82Å; A169-L622 HydrophobicContact CB-CB 4.34Å; A169-L622 HydrophobicContact CB-CD1 4.06Å; A169-L622 HydrophobicContact CB-CG 4.2Å; A169-L622 PolarHBondContact O-N 3.35Å
170	Y	94.5	Very high	79.2	Confident	48 Å²	48	61 Å²	61	19%	0.188	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	160.7	178.6	68.3	-90.3	0	0	0	112.5	D172 P231 E232 E233 M234 R619 L620	Y170-D172 HydrophobicContact CD2-CB 4.26Å; Y170-D172 HydrophobicContact CE2-CB 4.48Å; Y170-P231 HydrophobicContact CD1-CB 3.97Å; Y170-P231 HydrophobicContact CD1-CG 3.98Å; Y170-P231 HydrophobicContact CE1-CB 4.24Å; Y170-P231 HydrophobicContact CE1-CG 3.9Å; Y170-P231 WeakPolarHBondContact CE1-O 3.25Å; Y170-E232 PolarHBondContact N-O 3.04Å; Y170-E233 HydrophobicContact CD2-CG 4.32Å; Y170-E233 HydrophobicContact CE1-CB 4.32Å; Y170-E233 HydrophobicContact CE2-CB 3.94Å; Y170-E233 HydrophobicContact CE2-CG 3.78Å; Y170-E233 CarbonylContact O-C 3.52Å; Y170-E233 WeakPolarHBondContact O-CA 3.4Å; Y170-M234 PolarHBondContact O-N 2.87Å; Y170-R619 VanDerWaalsContact CB-NE 3.33Å; Y170-R619 VanDerWaalsContact CD2-NE 3.29Å; Y170-L620 CarbonylContact C-O 3.56Å; Y170-L620 WeakPolarHBondContact CA-O 3.07Å; Y170-L620 WeakPolarHBondContact CB-O 3.4Å
171	A	93.8	Very high	77.6	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	122.3	167.3	0	0	0	0	0	109.8	F175 F212 M234 R619 L620	A171-F175 HydrophobicContact CB-CE2 4.13Å; A171-F175 WeakPolarHBondContact O-CE2 3.49Å; A171-F212 HydrophobicContact CB-CD1 4.19Å; A171-F212 HydrophobicContact CB-CE1 3.54Å; A171-F212 HydrophobicContact CB-CZ 3.84Å; A171-M234 HydrophobicContact CB-CB 4.41Å; A171-R619 WeakPolarHBondContact O-CA 2.96Å; A171-R619 WeakPolarHBondContact O-CG 3.47Å; A171-L620 HydrophobicContact CB-CB 4.18Å; A171-L620 HydrophobicContact CB-CD2 4.47Å; A171-L620 PolarHBondContact N-O 3.03Å; A171-L620 PolarHBondContact O-N 3.31Å
172	D	90.8	Very high	76.2	Confident	37 Å²	37	70.8 Å²	70.8	20%	0.198	39%	0.392	C	S	.	.			trans	-131.6	-46.5	-178.4	-172.5	2.7	0	0	0	111.2	Y170 E174 F175 Q176 R619	Y170-D172 HydrophobicContact CD2-CB 4.26Å; Y170-D172 HydrophobicContact CE2-CB 4.48Å; D172-E174 PolarHBondContact O-N 2.84Å; D172-E174 VanDerWaalsContact O-N 3.08Å; D172-F175 PolarHBondContact O-N 3Å; D172-Q176 PolarHBondContact O-N 3.38Å; D172-Q176 WeakPolarHBondContact OD1-CG 3.49Å; D172-Q176 PolarHBondContact OD1-NE2 2.96Å; D172-Q176 PolarHBondContact OD2-NE2 3.45Å; D172-R619 HydrophobicContact CB-CG 4.09Å
173	S	87.6	Confident	75.4	Confident	54 Å²	54	66.8 Å²	66.8	38%	0.378	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-34.4	-179.5	52.9	0	0	0	0	114.4	F175 Q176 E233	S173-F175 PolarHBondContact O-N 3.31Å; S173-Q176 PolarHBondContact O-N 2.95Å; S173-E233 WeakPolarHBondContact CB-OE1 3.41Å; S173-E233 PolarHBondContact OG-OE1 3.41Å
174	E	85.4	Confident	74.5	Confident	51 Å²	51	70.1 Å²	70.1	24%	0.238	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.4	177.2	-70	-74	-173.8	0	0	114.2	D172 R210 F212 S236	D172-E174 PolarHBondContact O-N 2.84Å; D172-E174 VanDerWaalsContact O-N 3.08Å; E174-R210 PolarHBondContact O-NH2 2.77Å; E174-R210 IonicContact OE2-NE 3.1Å; E174-F212 HydrophobicContact CB-CZ 4.46Å; E174-F212 HydrophobicContact CG-CE1 4.16Å; E174-F212 HydrophobicContact CG-CZ 4.27Å; E174-S236 PolarHBondContact OE1-N 2.76Å; E174-S236 PolarHBondContact OE1-OG 3.14Å; E174-S236 PolarHBondContact OE2-OG 3.26Å
175	F	87.9	Confident	74.2	Confident	4 Å²	4	67.5 Å²	67.5	2%	0.018	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-17.1	-176.2	-51.4	-66.4	0	0	0	112.7	A171 D172 S173 L177 L188 F212 N618 L620	A171-F175 HydrophobicContact CB-CE2 4.13Å; A171-F175 WeakPolarHBondContact O-CE2 3.49Å; D172-F175 PolarHBondContact O-N 3Å; S173-F175 PolarHBondContact O-N 3.31Å; F175-L177 PolarHBondContact O-N 2.78Å; F175-L177 VanDerWaalsContact O-N 3.13Å; F175-L188 HydrophobicContact CD1-CD1 4Å; F175-L188 HydrophobicContact CD1-CG 4.23Å; F175-L188 HydrophobicContact CD2-CD1 3.95Å; F175-L188 HydrophobicContact CE1-CD1 4.17Å; F175-L188 HydrophobicContact CE1-CD2 4.01Å; F175-L188 HydrophobicContact CE1-CG 3.99Å; F175-L188 HydrophobicContact CE2-CD1 4.13Å; F175-L188 HydrophobicContact CE2-CD2 4.04Å; F175-L188 HydrophobicContact CE2-CG 4.48Å; F175-L188 HydrophobicContact CG-CD1 3.89Å; F175-L188 HydrophobicContact CZ-CD1 4.24Å; F175-L188 HydrophobicContact CZ-CD2 3.68Å; F175-L188 HydrophobicContact CZ-CG 4.13Å; F175-F212 HydrophobicContact CE2-CZ 4.4Å; F175-F212 HydrophobicContact CZ-CE2 4.17Å; F175-F212 AromaticContact CZ-CZ 3.98Å; F175-F212 HydrophobicContact CZ-CZ 3.98Å; F175-N618 HydrophobicContact CB-CB 4.09Å; F175-N618 WeakPolarHBondContact CD2-O 3.47Å; F175-L620 HydrophobicContact CE2-CB 4.39Å
176	Q	80	Confident	74.1	Confident	122 Å²	122	66.4 Å²	66.4	57%	0.57	37%	0.37	S	S	*	.	S	Bend	trans	-77.3	87.8	171.9	-64.4	-176	14.4	0	0	110.5	D172 S173 S178	D172-Q176 PolarHBondContact O-N 3.38Å; D172-Q176 WeakPolarHBondContact OD1-CG 3.49Å; D172-Q176 PolarHBondContact OD1-NE2 2.96Å; D172-Q176 PolarHBondContact OD2-NE2 3.45Å; S173-Q176 PolarHBondContact O-N 2.95Å; Q176-S178 PolarHBondContact O-N 3.2Å
177	L	62	Low	74.2	Confident	86 Å²	86	62.3 Å²	62.3	45%	0.45	35%	0.352	S	S	.	.			trans	-65.9	120.3	175.1	-102.9	82.6	0	0	0	111.5	F175 G179 L183 N186	F175-L177 PolarHBondContact O-N 2.78Å; F175-L177 VanDerWaalsContact O-N 3.13Å; L177-G179 PolarHBondContact O-N 2.94Å; L177-L183 HydrophobicContact CD2-CB 4.15Å; L177-L183 HydrophobicContact CD2-CD1 3.29Å; L177-L183 HydrophobicContact CD2-CG 4.34Å; L177-N186 HydrophobicContact CD1-CB 4.4Å; L177-N186 WeakPolarHBondContact CD1-ND2 3.46Å
178	S	52.3	Low	74.4	Confident	118 Å²	118	60.5 Å²	60.5	83%	0.825	34%	0.341	S	S	*	.			trans	-71.8	111.2	177.2	52.5	0	0	0	0	112.3	Q176 K180	Q176-S178 PolarHBondContact O-N 3.2Å; S178-K180 PolarHBondContact O-N 3.45Å
179	G	50.4	Low	74.6	Confident	81 Å²	81	62.9 Å²	62.9	84%	0.835	35%	0.349	S	S	*	.	S	Bend	trans	72.1	-3.3	135.5	0	0	0	0	0	122.9	L177	L177-G179 PolarHBondContact O-N 2.94Å
180	K	48.3	Very low	74.7	Confident	194 Å²	194	62.9 Å²	62.9	84%	0.843	35%	0.349	S	S	*	.	S	Bend	trans	-132.7	-7.3	-177.1	-73.4	-170.2	-179.5	179.7	0	119.6	S178	S178-K180 PolarHBondContact O-N 3.45Å
181	L	44.9	Very low	74.8	Confident	130 Å²	130	60.6 Å²	60.6	68%	0.681	34%	0.341	S	S	*	.	S	Bend	trans	-132	152.7	163.2	-86.2	101.2	0	0	0	109.2	L183	L181-L183 HydrophobicContact CB-CD1 3.9Å; L181-L183 HydrophobicContact CB-CG 3.82Å; L181-L183 PolarHBondContact O-N 2.93Å
182	P	45.9	Very low	75	Confident	110 Å²	110	62.3 Å²	62.3	71%	0.714	35%	0.352	S	S	*	.			trans	-72.2	59	171.7	33.3	-34.2	0	0	0	109.6	L184	P182-L184 PolarHBondContact O-N 3.42Å
183	L	53.6	Low	75.3	Confident	92 Å²	92	61.1 Å²	61.1	48%	0.482	35%	0.345	S	S	.	.			trans	-84.7	51.8	174.7	-69.4	167.8	0	0	0	108.9	L177 L181 N185	L177-L183 HydrophobicContact CD2-CB 4.15Å; L177-L183 HydrophobicContact CD2-CD1 3.29Å; L177-L183 HydrophobicContact CD2-CG 4.34Å; L181-L183 HydrophobicContact CB-CD1 3.9Å; L181-L183 HydrophobicContact CB-CG 3.82Å; L181-L183 PolarHBondContact O-N 2.93Å; L183-N185 PolarHBondContact O-N 2.82Å
184	L	55.8	Low	75.8	Confident	89 Å²	89	58.6 Å²	58.6	47%	0.466	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-0.5	-179.9	-131.6	95	0	0	0	113.2	P182 K616	P182-L184 PolarHBondContact O-N 3.42Å; L184-K616 VanDerWaalsContact O-CE 3.25Å; L184-K616 WeakPolarHBondContact O-CE 3.22Å; L184-K616 PolarHBondContact O-NZ 2.73Å
185	N	75.3	Confident	76.2	Confident	30 Å²	30	58.7 Å²	58.7	16%	0.16	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.8	32.6	-162.8	-141.1	4.9	0	0	0	112.9	L183 Y187 H205 Q513 R514 R515	L183-N185 PolarHBondContact O-N 2.82Å; N185-Y187 HydrophobicContact CB-CD1 4.46Å; N185-Y187 WeakPolarHBondContact O-CD1 3.42Å; N185-Y187 PolarHBondContact O-N 3.42Å; N185-Y187 VanDerWaalsContact OD1-CD1 3.24Å; N185-Y187 WeakPolarHBondContact OD1-CD1 3.29Å; N185-H205 WeakPolarHBondContact O-CB 3.21Å; N185-H205 PolarHBondContact O-CD2 2.86Å; N185-Q513 PolarHBondContact OD1-O 2.79Å; N185-R514 WeakPolarHBondContact OD1-CA 3.48Å; N185-R515 PolarHBondContact ND2-O 3.46Å; N185-R515 VanDerWaalsContact ND2-O 3.16Å; N185-R515 PolarHBondContact OD1-N 3.39Å
186	N	86.6	Confident	76.5	Confident	6 Å²	6	60.5 Å²	60.5	3%	0.032	34%	0.343	C	S	.	.			trans	-78.9	56.3	173.7	-162.7	27.5	0	0	0	112.6	L177 H205 D206 N618	L177-N186 HydrophobicContact CD1-CB 4.4Å; L177-N186 WeakPolarHBondContact CD1-ND2 3.46Å; N186-H205 PolarHBondContact OD1-N 2.71Å; N186-D206 PolarHBondContact ND2-OD2 3.3Å; N186-D206 VanDerWaalsContact ND2-OD2 3.08Å; N186-D206 WeakPolarHBondContact OD1-CB 3.32Å; N186-D206 VanDerWaalsContact OD1-CG 3.3Å; N186-D206 PolarHBondContact OD1-N 2.91Å; N186-N618 PolarHBondContact O-ND2 3.3Å
187	Y	91.1	Very high	77.2	Confident	16 Å²	16	54.8 Å²	54.8	6%	0.063	32%	0.317	C	S	.	.			trans	-72.7	145.8	178.4	58.8	-84.5	0	0	0	111.3	N185 R189 S204 H205 R514 N618	N185-Y187 HydrophobicContact CB-CD1 4.46Å; N185-Y187 WeakPolarHBondContact O-CD1 3.42Å; N185-Y187 PolarHBondContact O-N 3.42Å; N185-Y187 VanDerWaalsContact OD1-CD1 3.24Å; N185-Y187 WeakPolarHBondContact OD1-CD1 3.29Å; Y187-R189 HydrophobicContact CD2-CG 4.21Å; Y187-R189 HydrophobicContact CE2-CG 3.98Å; Y187-R189 PolarHBondContact OH-NH2 3.41Å; Y187-S204 WeakPolarHBondContact O-CA 3.33Å; Y187-H205 HydrophobicContact CD1-CB 4.12Å; Y187-H205 HydrophobicContact CE1-CB 3.93Å; Y187-H205 AromaticContact CE1-CD2 3.62Å; Y187-H205 AromaticContact CE1-CG 3.75Å; Y187-H205 PolarHBondContact O-N 3.09Å; Y187-R514 HydrophobicContact CD1-CB 4.41Å; Y187-R514 HydrophobicContact CE1-CB 3.71Å; Y187-R514 HydrophobicContact CE1-CG 4.05Å; Y187-R514 HydrophobicContact CE2-CB 4.48Å; Y187-N618 WeakPolarHBondContact CA-OD1 3.5Å
188	L	94.3	Very high	78.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	165.4	170.7	-71.7	88.2	0	0	0	109.9	F175 T202 N203 N496 S511 N618	F175-L188 HydrophobicContact CD1-CD1 4Å; F175-L188 HydrophobicContact CD1-CG 4.23Å; F175-L188 HydrophobicContact CD2-CD1 3.95Å; F175-L188 HydrophobicContact CE1-CD1 4.17Å; F175-L188 HydrophobicContact CE1-CD2 4.01Å; F175-L188 HydrophobicContact CE1-CG 3.99Å; F175-L188 HydrophobicContact CE2-CD1 4.13Å; F175-L188 HydrophobicContact CE2-CD2 4.04Å; F175-L188 HydrophobicContact CE2-CG 4.48Å; F175-L188 HydrophobicContact CG-CD1 3.89Å; F175-L188 HydrophobicContact CZ-CD1 4.24Å; F175-L188 HydrophobicContact CZ-CD2 3.68Å; F175-L188 HydrophobicContact CZ-CG 4.13Å; L188-T202 HydrophobicContact CD2-CG2 4.23Å; L188-N203 CarbonylContact C-O 3.56Å; L188-N203 WeakPolarHBondContact CA-O 3.33Å; L188-N496 VanDerWaalsContact C-ND2 3.27Å; L188-N496 PolarHBondContact O-ND2 3.23Å; L188-S511 WeakPolarHBondContact CB-O 3.33Å; L188-S511 VanDerWaalsContact CD1-O 3.32Å; L188-S511 WeakPolarHBondContact CD1-O 3.47Å; L188-S511 PolarHBondContact N-O 2.56Å; L188-N618 HydrophobicContact CD1-CB 4.09Å
189	R	94	Very high	80.7	Confident	52 Å²	52	47.9 Å²	47.9	20%	0.196	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	11.6	-178.4	-67.1	-178.1	173.4	-169.2	-0.4	113.4	Y187 N203 H205 L245 N496	Y187-R189 HydrophobicContact CD2-CG 4.21Å; Y187-R189 HydrophobicContact CE2-CG 3.98Å; Y187-R189 PolarHBondContact OH-NH2 3.41Å; R189-N203 HydrophobicContact CB-CB 4.47Å; R189-N203 PolarHBondContact N-O 3.2Å; R189-H205 PolarHBondContact NH2-CE1 3.31Å; R189-H205 PolarHBondContact NH2-ND1 3.18Å; R189-L245 VanDerWaalsContact CZ-CD1 3.49Å; R189-N496 WeakPolarHBondContact CA-ND2 3.39Å
190	G	94.7	Very high	83	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.4	165.7	-175.3	0	0	0	0	0	112.3	N203 Y249 Q446 S510	G190-N203 PolarHBondContact O-N 3.25Å; G190-Y249 PolarHBondContact O-OH 2.88Å; G190-Q446 VanDerWaalsContact CA-OE1 3.23Å; G190-S510 VanDerWaalsContact C-OG 3.26Å
191	C	96.9	Very high	85.3	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	146.2	172.6	56	0	0	0	0	109	I200 L201 T202 Y249 Q446 G497 S510 L620	C191-I200 HydrophobicContact CB-CG2 4.22Å; C191-L201 CarbonylContact C-O 3.56Å; C191-L201 VanDerWaalsContact CA-O 3.24Å; C191-L201 WeakPolarHBondContact CA-O 3.38Å; C191-T202 HydrophobicContact CB-CG2 4.09Å; C191-Y249 PolarHBondContact N-OH 2.99Å; C191-Q446 PolarHBondContact O-OE1 3.44Å; C191-Q446 VanDerWaalsContact O-OE1 3.1Å; C191-G497 VanDerWaalsContact SG-C 3.58Å; C191-S510 PolarHBondContact N-OG 3.1Å; C191-S510 PolarHBondContact SG-OG 3.49Å; C191-L620 HydrophobicContact CB-CD1 3.95Å
192	S	97.3	Very high	87.8	Confident	35 Å²	35	28.6 Å²	28.6	25%	0.245	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	125.9	177.3	-175.5	0	0	0	0	109.8	L201 W251	S192-L201 PolarHBondContact N-O 3.18Å; S192-L201 PolarHBondContact O-N 3.3Å; S192-W251 PolarHBondContact O-NE1 2.52Å
193	W	97.8	Very high	90.2	Very high	12 Å²	12	23.5 Å²	23.5	5%	0.045	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	147.7	164.3	-76	106.4	0	0	0	110.8	G197 C199 I200 L214 W251 S499 V500 H501 I506 A508 L622	W193-G197 WeakPolarHBondContact CZ3-O 3.36Å; W193-C199 CarbonylContact C-O 3.6Å; W193-I200 HydrophobicContact CD2-CD1 4.37Å; W193-I200 HydrophobicContact CD2-CG1 3.74Å; W193-I200 HydrophobicContact CE3-CD1 4.25Å; W193-I200 HydrophobicContact CE3-CG1 3.43Å; W193-I200 VanDerWaalsContact CE3-CG1 3.43Å; W193-I200 HydrophobicContact CH2-CD1 3.34Å; W193-I200 HydrophobicContact CH2-CG1 3.45Å; W193-I200 VanDerWaalsContact CH2-CG1 3.45Å; W193-I200 HydrophobicContact CZ2-CD1 3.5Å; W193-I200 VanDerWaalsContact CZ2-CD1 3.5Å; W193-I200 HydrophobicContact CZ2-CG1 3.78Å; W193-I200 HydrophobicContact CZ3-CD1 3.76Å; W193-I200 HydrophobicContact CZ3-CG1 3.27Å; W193-L214 HydrophobicContact CH2-CB 4.37Å; W193-L214 HydrophobicContact CH2-CD1 3.76Å; W193-L214 HydrophobicContact CZ3-CB 4.18Å; W193-L214 HydrophobicContact CZ3-CD1 4.37Å; W193-W251 PolarHBondContact O-NE1 3.04Å; W193-S499 VanDerWaalsContact CD1-OG 3.32Å; W193-S499 PolarHBondContact N-OG 2.84Å; W193-S499 VanDerWaalsContact N-OG 3.12Å; W193-S499 PolarHBondContact NE1-O 2.86Å; W193-V500 VanDerWaalsContact CD1-C 3.5Å; W193-H501 HydrophobicContact CD2-CB 4.42Å; W193-H501 AromaticContact CD2-CD2 3.85Å; W193-H501 AromaticContact CE2-CD2 3.91Å; W193-H501 AromaticContact CE3-CD2 3.7Å; W193-H501 AromaticContact CH2-CD2 3.74Å; W193-H501 HydrophobicContact CZ2-CB 4.39Å; W193-H501 AromaticContact CZ2-CD2 3.88Å; W193-H501 AromaticContact CZ3-CD2 3.65Å; W193-I506 HydrophobicContact CZ2-CG2 3.84Å; W193-A508 HydrophobicContact CZ2-CB 4.11Å; W193-L622 HydrophobicContact CH2-CD1 4.23Å; W193-L622 HydrophobicContact CZ2-CD1 4.48Å; W193-L622 HydrophobicContact CZ2-CD2 4.17Å
194	S	96.9	Very high	92.1	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.014	11%	0.107	C	C	.	.			trans	-65.6	153.3	161	57.1	0	0	0	0	109.8	D196 G197 S198 C199 M255	S194-D196 VanDerWaalsContact CB-OD1 3.23Å; S194-D196 WeakPolarHBondContact CB-OD1 3.11Å; S194-D196 PolarHBondContact O-N 3.4Å; S194-D196 PolarHBondContact OG-OD1 3.17Å; S194-G197 PolarHBondContact O-N 3.5Å; S194-G197 PolarHBondContact OG-N 3.1Å; S194-S198 PolarHBondContact OG-N 3.42Å; S194-S198 VanDerWaalsContact OG-N 3.15Å; S194-C199 PolarHBondContact N-O 3.48Å; S194-C199 PolarHBondContact OG-N 3.49Å; S194-C199 PolarHBondContact OG-O 2.72Å; S194-M255 VanDerWaalsContact CB-SD 3.56Å
195	P	95.4	Very high	93.8	Very high	52 Å²	52	17.5 Å²	17.5	34%	0.338	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.5	-179.2	-24.7	34	0	0	0	114.6	W251 Y252 M255 P502	P195-W251 HydrophobicContact CG-CB 4.3Å; P195-Y252 WeakPolarHBondContact CG-O 3.48Å; P195-M255 HydrophobicContact CG-CB 4.2Å; P195-P502 WeakPolarHBondContact O-CG 3.4Å
196	D	94	Very high	94.5	Very high	43 Å²	43	18.1 Å²	18.1	23%	0.23	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-11.3	175.2	69	-13.8	0	0	0	113.8	S194 S198 S257	S194-D196 VanDerWaalsContact CB-OD1 3.23Å; S194-D196 WeakPolarHBondContact CB-OD1 3.11Å; S194-D196 PolarHBondContact O-N 3.4Å; S194-D196 PolarHBondContact OG-OD1 3.17Å; D196-S198 VanDerWaalsContact C-N 3.3Å; D196-S198 PolarHBondContact O-N 3.5Å; D196-S198 WeakPolarHBondContact OD1-CB 3.46Å; D196-S198 PolarHBondContact OD1-N 2.96Å; D196-S198 PolarHBondContact OD1-OG 3.34Å; D196-S198 WeakPolarHBondContact OD2-CB 3.37Å; D196-S198 PolarHBondContact OD2-OG 3.14Å; D196-S257 VanDerWaalsContact OD2-CB 3.3Å; D196-S257 WeakPolarHBondContact OD2-CB 3.3Å; D196-S257 PolarHBondContact OD2-N 3.03Å; D196-S257 PolarHBondContact OD2-OG 2.79Å
197	G	94	Very high	94.9	Very high	2 Å²	2	19.2 Å²	19.2	2%	0.021	11%	0.106	C	C	.	.	S	Bend	trans	80.1	2.5	-177.9	0	0	0	0	0	115.2	W193 S194 C199 H501	W193-G197 WeakPolarHBondContact CZ3-O 3.36Å; S194-G197 PolarHBondContact O-N 3.5Å; S194-G197 PolarHBondContact OG-N 3.1Å; G197-C199 PolarHBondContact O-N 2.94Å; G197-H501 WeakPolarHBondContact CA-NE2 3.48Å; G197-H501 PolarHBondContact O-NE2 2.94Å; G197-H501 VanDerWaalsContact O-NE2 3.07Å
198	S	93.4	Very high	95	Very high	46 Å²	46	19.5 Å²	19.5	32%	0.322	11%	0.108	S	C	.	.	S	Bend	trans	-70.3	-31.2	-176.9	-58.9	0	0	0	0	113.5	S194 D196 L214 S257	S194-S198 PolarHBondContact OG-N 3.42Å; S194-S198 VanDerWaalsContact OG-N 3.15Å; D196-S198 VanDerWaalsContact C-N 3.3Å; D196-S198 PolarHBondContact O-N 3.5Å; D196-S198 WeakPolarHBondContact OD1-CB 3.46Å; D196-S198 PolarHBondContact OD1-N 2.96Å; D196-S198 PolarHBondContact OD1-OG 3.34Å; D196-S198 WeakPolarHBondContact OD2-CB 3.37Å; D196-S198 PolarHBondContact OD2-OG 3.14Å; S198-L214 PolarHBondContact O-N 3.22Å; S198-S257 WeakPolarHBondContact CB-OG 3.49Å; S198-S257 PolarHBondContact OG-OG 2.77Å
199	C	95.2	Very high	95.1	Very high	12 Å²	12	19.5 Å²	19.5	8%	0.081	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	156.5	-168.7	-60.6	0	0	0	0	112.3	W193 S194 G197 L211 F212 N213 W251	W193-C199 CarbonylContact C-O 3.6Å; S194-C199 PolarHBondContact N-O 3.48Å; S194-C199 PolarHBondContact OG-N 3.49Å; S194-C199 PolarHBondContact OG-O 2.72Å; G197-C199 PolarHBondContact O-N 2.94Å; C199-L211 HydrophobicContact CB-CD1 4.4Å; C199-L211 HydrophobicContact CB-CD2 4.01Å; C199-L211 HydrophobicContact CB-CG 4.13Å; C199-F212 CarbonylContact C-O 3.58Å; C199-F212 VanDerWaalsContact CA-O 3.27Å; C199-F212 WeakPolarHBondContact CA-O 3.36Å; C199-N213 PolarHBondContact SG-OD1 3.28Å; C199-N213 VanDerWaalsContact SG-OD1 3.33Å; C199-W251 HydrophobicContact CB-CH2 4.36Å; C199-W251 HydrophobicContact CB-CZ2 4.45Å
200	I	96.9	Very high	95.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.5	175.7	-52.3	171	0	0	0	108.9	C191 W193 T202 L211 F212 A508 L620 L622	C191-I200 HydrophobicContact CB-CG2 4.22Å; W193-I200 HydrophobicContact CD2-CD1 4.37Å; W193-I200 HydrophobicContact CD2-CG1 3.74Å; W193-I200 HydrophobicContact CE3-CD1 4.25Å; W193-I200 HydrophobicContact CE3-CG1 3.43Å; W193-I200 VanDerWaalsContact CE3-CG1 3.43Å; W193-I200 HydrophobicContact CH2-CD1 3.34Å; W193-I200 HydrophobicContact CH2-CG1 3.45Å; W193-I200 VanDerWaalsContact CH2-CG1 3.45Å; W193-I200 HydrophobicContact CZ2-CD1 3.5Å; W193-I200 VanDerWaalsContact CZ2-CD1 3.5Å; W193-I200 HydrophobicContact CZ2-CG1 3.78Å; W193-I200 HydrophobicContact CZ3-CD1 3.76Å; W193-I200 HydrophobicContact CZ3-CG1 3.27Å; I200-T202 HydrophobicContact CG2-CG2 4.3Å; I200-L211 CarbonylContact O-C 3.59Å; I200-L211 WeakPolarHBondContact O-CA 3.47Å; I200-F212 PolarHBondContact N-O 3.18Å; I200-F212 PolarHBondContact O-N 2.82Å; I200-A508 HydrophobicContact CD1-CB 4.11Å; I200-A508 HydrophobicContact CG2-CB 4.41Å; I200-L620 HydrophobicContact CG2-CD1 4.35Å; I200-L620 HydrophobicContact CG2-CD2 4.35Å; I200-L622 HydrophobicContact CD1-CD1 3.82Å; I200-L622 HydrophobicContact CD1-CD2 3.15Å; I200-L622 HydrophobicContact CD1-CG 4.1Å
201	L	97.8	Very high	95.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.2	172.8	-171.8	62.8	0	0	0	110.1	C191 S192 L209 M240 Y249 W251 L265	C191-L201 CarbonylContact C-O 3.56Å; C191-L201 VanDerWaalsContact CA-O 3.24Å; C191-L201 WeakPolarHBondContact CA-O 3.38Å; S192-L201 PolarHBondContact N-O 3.18Å; S192-L201 PolarHBondContact O-N 3.3Å; L201-L209 HydrophobicContact CD1-CB 4.03Å; L201-M240 HydrophobicContact CD1-CE 3.78Å; L201-Y249 HydrophobicContact CD2-CD2 3.46Å; L201-Y249 VanDerWaalsContact CD2-CD2 3.46Å; L201-Y249 HydrophobicContact CD2-CE2 3.97Å; L201-Y249 HydrophobicContact CD2-CG 4.36Å; L201-Y249 HydrophobicContact CG-CD2 4.04Å; L201-Y249 HydrophobicContact CG-CE2 4.11Å; L201-W251 HydrophobicContact CB-CZ2 3.62Å; L201-W251 HydrophobicContact CD2-CZ2 4.42Å; L201-W251 HydrophobicContact CG-CZ2 4.5Å; L201-L265 HydrophobicContact CD1-CD2 4.21Å; L201-L265 HydrophobicContact CD2-CB 4.5Å; L201-L265 HydrophobicContact CD2-CD1 4.24Å; L201-L265 HydrophobicContact CD2-CD2 4.13Å
202	T	97.2	Very high	95.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	154.2	174.5	63.4	0	0	0	0	110.7	L188 C191 I200 L209 R210 F212 L620	L188-T202 HydrophobicContact CD2-CG2 4.23Å; C191-T202 HydrophobicContact CB-CG2 4.09Å; I200-T202 HydrophobicContact CG2-CG2 4.3Å; T202-L209 VanDerWaalsContact O-CA 3.29Å; T202-L209 WeakPolarHBondContact O-CA 3.24Å; T202-R210 PolarHBondContact N-O 2.79Å; T202-R210 PolarHBondContact O-N 2.84Å; T202-R210 PolarHBondContact OG1-O 2.91Å; T202-F212 HydrophobicContact CG2-CD2 4.21Å; T202-F212 HydrophobicContact CG2-CE2 4.05Å; T202-F212 WeakPolarHBondContact OG1-CE2 3.47Å; T202-L620 HydrophobicContact CG2-CD1 3.94Å; T202-L620 HydrophobicContact CG2-CD2 3.9Å; T202-L620 HydrophobicContact CG2-CG 4.41Å
203	N	95.4	Very high	95.3	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.021	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135	174	179.9	2.9	0	0	0	108.9	L188 R189 G190 L209 I246 Y249	L188-N203 CarbonylContact C-O 3.56Å; L188-N203 WeakPolarHBondContact CA-O 3.33Å; R189-N203 HydrophobicContact CB-CB 4.47Å; R189-N203 PolarHBondContact N-O 3.2Å; G190-N203 PolarHBondContact O-N 3.25Å; N203-L209 HydrophobicContact CB-CD2 3.73Å; N203-I246 WeakPolarHBondContact ND2-CG2 3.46Å; N203-Y249 HydrophobicContact CB-CD1 3.86Å; N203-Y249 HydrophobicContact CB-CE1 3.34Å
204	S	93.5	Very high	95	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	166.2	178.4	43.2	0	0	0	0	112.5	Y187 D206 N207 I208 R210	Y187-S204 WeakPolarHBondContact O-CA 3.33Å; S204-D206 WeakPolarHBondContact CB-OD1 3.48Å; S204-D206 PolarHBondContact O-N 3Å; S204-D206 VanDerWaalsContact OG-CG 3.29Å; S204-D206 PolarHBondContact OG-OD1 3.39Å; S204-D206 PolarHBondContact OG-OD2 2.69Å; S204-N207 PolarHBondContact O-N 3.47Å; S204-N207 VanDerWaalsContact O-N 3.1Å; S204-I208 PolarHBondContact N-O 3.09Å; S204-I208 PolarHBondContact OG-O 3.38Å; S204-R210 PolarHBondContact OG-NH1 2.97Å
205	H	91.8	Very high	94.6	Very high	54 Å²	54	20.2 Å²	20.2	25%	0.25	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.8	-176.3	-169.4	19.9	0	0	0	113.8	N185 N186 Y187 R189 N207	N185-H205 WeakPolarHBondContact O-CB 3.21Å; N185-H205 PolarHBondContact O-CD2 2.86Å; N186-H205 PolarHBondContact OD1-N 2.71Å; Y187-H205 HydrophobicContact CD1-CB 4.12Å; Y187-H205 HydrophobicContact CE1-CB 3.93Å; Y187-H205 AromaticContact CE1-CD2 3.62Å; Y187-H205 AromaticContact CE1-CG 3.75Å; Y187-H205 PolarHBondContact O-N 3.09Å; R189-H205 PolarHBondContact NH2-CE1 3.31Å; R189-H205 PolarHBondContact NH2-ND1 3.18Å; H205-N207 PolarHBondContact O-N 3.09Å; H205-N207 VanDerWaalsContact O-N 3.09Å; H205-N207 PolarHBondContact O-OD1 3.44Å
206	D	91.6	Very high	94	Very high	43 Å²	43	21.4 Å²	21.4	23%	0.23	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	2.4	172.4	60.8	7.7	0	0	0	114.9	N186 S204 I208 R210	N186-D206 PolarHBondContact ND2-OD2 3.3Å; N186-D206 VanDerWaalsContact ND2-OD2 3.08Å; N186-D206 WeakPolarHBondContact OD1-CB 3.32Å; N186-D206 VanDerWaalsContact OD1-CG 3.3Å; N186-D206 PolarHBondContact OD1-N 2.91Å; S204-D206 WeakPolarHBondContact CB-OD1 3.48Å; S204-D206 PolarHBondContact O-N 3Å; S204-D206 VanDerWaalsContact OG-CG 3.29Å; S204-D206 PolarHBondContact OG-OD1 3.39Å; S204-D206 PolarHBondContact OG-OD2 2.69Å; D206-I208 VanDerWaalsContact C-N 3.3Å; D206-I208 HydrophobicContact CB-CD1 4.35Å; D206-I208 HydrophobicContact CB-CG1 4.31Å; D206-I208 WeakPolarHBondContact OD1-CB 3.42Å; D206-I208 PolarHBondContact OD1-N 2.78Å; D206-R210 IonicContact OD1-NH1 3.03Å; D206-R210 PolarHBondContact OD1-NH1 3.09Å; D206-R210 IonicContact OD2-CZ 3.54Å; D206-R210 IonicContact OD2-NH1 3.73Å; D206-R210 PolarHBondContact OD2-NH1 3.2Å; D206-R210 IonicContact OD2-NH2 2.95Å; D206-R210 PolarHBondContact OD2-NH2 2.87Å
207	N	93	Very high	93.1	Very high	30 Å²	30	21 Å²	21	16%	0.16	12%	0.123	C	C	.	.	S	Bend	trans	64.7	33.2	-179.8	-49.2	-38.5	0	0	0	113.1	S204 H205 E242 E244 L245 I246	S204-N207 PolarHBondContact O-N 3.47Å; S204-N207 VanDerWaalsContact O-N 3.1Å; H205-N207 PolarHBondContact O-N 3.09Å; H205-N207 VanDerWaalsContact O-N 3.09Å; H205-N207 PolarHBondContact O-OD1 3.44Å; N207-E242 HydrophobicContact CB-CB 4.47Å; N207-E242 PolarHBondContact O-N 2.84Å; N207-E244 WeakPolarHBondContact CB-O 3.35Å; N207-E244 VanDerWaalsContact CG-C 3.42Å; N207-L245 VanDerWaalsContact OD1-CA 3.26Å; N207-L245 WeakPolarHBondContact OD1-CA 3.42Å; N207-L245 PolarHBondContact OD1-N 3.12Å; N207-I246 HydrophobicContact CB-CG1 4.49Å
208	I	94.8	Very high	92.2	Very high	21 Å²	21	21.3 Å²	21.3	11%	0.108	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.4	179.4	-57.3	-177.1	0	0	0	109	S204 D206 R210 V239 R241	S204-I208 PolarHBondContact N-O 3.09Å; S204-I208 PolarHBondContact OG-O 3.38Å; D206-I208 VanDerWaalsContact C-N 3.3Å; D206-I208 HydrophobicContact CB-CD1 4.35Å; D206-I208 HydrophobicContact CB-CG1 4.31Å; D206-I208 WeakPolarHBondContact OD1-CB 3.42Å; D206-I208 PolarHBondContact OD1-N 2.78Å; I208-R210 HydrophobicContact CG2-CG 3.93Å; I208-V239 HydrophobicContact CG2-CG1 3.39Å; I208-R241 HydrophobicContact CD1-CG 4.17Å; I208-R241 HydrophobicContact CG1-CG 4.08Å; I208-R241 HydrophobicContact CG2-CG 4.46Å
209	L	96.8	Very high	91.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	122.7	164.6	-63.6	173.7	0	0	0	108.7	L201 T202 N203 M240 I246 Y249 L265	L201-L209 HydrophobicContact CD1-CB 4.03Å; T202-L209 VanDerWaalsContact O-CA 3.29Å; T202-L209 WeakPolarHBondContact O-CA 3.24Å; N203-L209 HydrophobicContact CB-CD2 3.73Å; L209-M240 HydrophobicContact CB-CB 4.23Å; L209-M240 HydrophobicContact CB-CE 3.74Å; L209-M240 HydrophobicContact CD1-CE 4.49Å; L209-M240 PolarHBondContact N-O 2.53Å; L209-M240 PolarHBondContact O-N 3.23Å; L209-I246 HydrophobicContact CD1-CD1 4.31Å; L209-I246 HydrophobicContact CD2-CD1 3.89Å; L209-I246 HydrophobicContact CG-CD1 3.64Å; L209-Y249 HydrophobicContact CD2-CD1 4Å; L209-Y249 HydrophobicContact CD2-CD2 4.46Å; L209-Y249 HydrophobicContact CD2-CG 3.93Å; L209-L265 HydrophobicContact CD1-CD1 4.08Å
210	R	97	Very high	89.7	Confident	13 Å²	13	30.3 Å²	30.3	5%	0.049	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.4	176.3	-66.5	177	178.5	71.2	-8.5	109.8	E174 T202 S204 D206 I208 F212 L238	E174-R210 PolarHBondContact O-NH2 2.77Å; E174-R210 IonicContact OE2-NE 3.1Å; T202-R210 PolarHBondContact N-O 2.79Å; T202-R210 PolarHBondContact O-N 2.84Å; T202-R210 PolarHBondContact OG1-O 2.91Å; S204-R210 PolarHBondContact OG-NH1 2.97Å; D206-R210 IonicContact OD1-NH1 3.03Å; D206-R210 PolarHBondContact OD1-NH1 3.09Å; D206-R210 IonicContact OD2-CZ 3.54Å; D206-R210 IonicContact OD2-NH1 3.73Å; D206-R210 PolarHBondContact OD2-NH1 3.2Å; D206-R210 IonicContact OD2-NH2 2.95Å; D206-R210 PolarHBondContact OD2-NH2 2.87Å; I208-R210 HydrophobicContact CG2-CG 3.93Å; R210-F212 HydrophobicContact CB-CD2 4.46Å; R210-F212 HydrophobicContact CB-CE2 3.67Å; R210-F212 HydrophobicContact CB-CZ 4.07Å; R210-L238 WeakPolarHBondContact CA-O 3.37Å
211	L	97.2	Very high	87.8	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.3	174.9	-173.2	153.3	0	0	0	109.3	C199 I200 N213 S236 V237 L238 W251 A279	C199-L211 HydrophobicContact CB-CD1 4.4Å; C199-L211 HydrophobicContact CB-CD2 4.01Å; C199-L211 HydrophobicContact CB-CG 4.13Å; I200-L211 CarbonylContact O-C 3.59Å; I200-L211 WeakPolarHBondContact O-CA 3.47Å; L211-N213 WeakPolarHBondContact CD2-OD1 3.43Å; L211-S236 CarbonylContact O-C 3.6Å; L211-S236 WeakPolarHBondContact O-CA 3.33Å; L211-V237 HydrophobicContact CD2-CB 4.22Å; L211-V237 PolarHBondContact O-N 3.47Å; L211-L238 HydrophobicContact CB-CB 4.11Å; L211-L238 HydrophobicContact CD1-CD1 4.4Å; L211-L238 PolarHBondContact N-O 3.47Å; L211-W251 HydrophobicContact CD1-CH2 3.64Å; L211-W251 HydrophobicContact CD1-CZ2 4.39Å; L211-W251 HydrophobicContact CG-CH2 4.5Å; L211-A279 HydrophobicContact CD1-CB 4.22Å
212	F	96.3	Very high	85.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.8	175.9	-61	-90.9	0	0	0	108.9	A171 E174 F175 C199 I200 T202 R210 M234 K235 L620	A171-F212 HydrophobicContact CB-CD1 4.19Å; A171-F212 HydrophobicContact CB-CE1 3.54Å; A171-F212 HydrophobicContact CB-CZ 3.84Å; E174-F212 HydrophobicContact CB-CZ 4.46Å; E174-F212 HydrophobicContact CG-CE1 4.16Å; E174-F212 HydrophobicContact CG-CZ 4.27Å; F175-F212 HydrophobicContact CE2-CZ 4.4Å; F175-F212 HydrophobicContact CZ-CE2 4.17Å; F175-F212 AromaticContact CZ-CZ 3.98Å; F175-F212 HydrophobicContact CZ-CZ 3.98Å; C199-F212 CarbonylContact C-O 3.58Å; C199-F212 VanDerWaalsContact CA-O 3.27Å; C199-F212 WeakPolarHBondContact CA-O 3.36Å; I200-F212 PolarHBondContact N-O 3.18Å; I200-F212 PolarHBondContact O-N 2.82Å; T202-F212 HydrophobicContact CG2-CD2 4.21Å; T202-F212 HydrophobicContact CG2-CE2 4.05Å; T202-F212 WeakPolarHBondContact OG1-CE2 3.47Å; R210-F212 HydrophobicContact CB-CD2 4.46Å; R210-F212 HydrophobicContact CB-CE2 3.67Å; R210-F212 HydrophobicContact CB-CZ 4.07Å; F212-M234 HydrophobicContact CD1-CB 3.97Å; F212-K235 WeakPolarHBondContact CD1-O 3.41Å; F212-L620 HydrophobicContact CD2-CD2 3.79Å; F212-L620 HydrophobicContact CE2-CD2 4.09Å; F212-L620 HydrophobicContact CG-CD2 4.15Å
213	N	94.7	Very high	83.2	Confident	78 Å²	78	43.1 Å²	43.1	42%	0.417	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	147.5	171.5	-70.5	-1.2	0	0	0	109.7	C199 L211 P215 V237	C199-N213 PolarHBondContact SG-OD1 3.28Å; C199-N213 VanDerWaalsContact SG-OD1 3.33Å; L211-N213 WeakPolarHBondContact CD2-OD1 3.43Å; N213-P215 WeakPolarHBondContact O-CD 3.37Å; N213-V237 HydrophobicContact CB-CG2 4.27Å
214	L	92.9	Very high	81	Confident	15 Å²	15	47.5 Å²	47.5	8%	0.079	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-62	126.1	165	178.6	67.3	0	0	0	108.5	W193 S198 S216 V218 L219 L504 I506 L622	W193-L214 HydrophobicContact CH2-CB 4.37Å; W193-L214 HydrophobicContact CH2-CD1 3.76Å; W193-L214 HydrophobicContact CZ3-CB 4.18Å; W193-L214 HydrophobicContact CZ3-CD1 4.37Å; S198-L214 PolarHBondContact O-N 3.22Å; L214-S216 PolarHBondContact O-N 2.84Å; L214-V218 HydrophobicContact CD1-CB 4.23Å; L214-V218 HydrophobicContact CD1-CG1 4.36Å; L214-V218 HydrophobicContact CD1-CG2 4.23Å; L214-L219 HydrophobicContact CD2-CD2 3.97Å; L214-L219 HydrophobicContact CD2-CG 4.2Å; L214-L504 HydrophobicContact CD2-CD1 3.93Å; L214-I506 HydrophobicContact CD1-CD1 4.11Å; L214-L622 HydrophobicContact CD1-CD1 4.21Å
215	P	88.7	Confident	78.8	Confident	9 Å²	9	56.1 Å²	56.1	6%	0.058	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-61.8	134.5	179.4	-23	33.6	0	0	0	111.9	A169 N213 S217 V218 E232 M234	A169-P215 HydrophobicContact CB-CG 3.97Å; N213-P215 WeakPolarHBondContact O-CD 3.37Å; P215-S217 WeakPolarHBondContact CB-OG 3.47Å; P215-S217 PolarHBondContact O-N 3.28Å; P215-V218 HydrophobicContact CB-CG2 4.23Å; P215-V218 WeakPolarHBondContact O-CB 3.26Å; P215-V218 WeakPolarHBondContact O-CG2 3.34Å; P215-V218 PolarHBondContact O-N 3.31Å; P215-E232 WeakPolarHBondContact CB-OE2 3.14Å; P215-M234 HydrophobicContact CG-CG 3.92Å; P215-M234 HydrophobicContact CG-SD 3.93Å
216	S	81.7	Confident	76.7	Confident	76 Å²	76	55.8 Å²	55.8	53%	0.531	31%	0.309	S	S	.	.	H	α-helix	trans	-61	-26.6	-180	-52.1	0	0	0	0	112.7	L214 V218 L219 E220	L214-S216 PolarHBondContact O-N 2.84Å; S216-V218 PolarHBondContact O-N 3.32Å; S216-V218 VanDerWaalsContact O-N 3.11Å; S216-L219 PolarHBondContact O-N 3.38Å; S216-E220 PolarHBondContact O-N 2.9Å
217	S	74.5	Confident	74.6	Confident	34 Å²	34	59 Å²	59	24%	0.238	34%	0.335	C	S	.	.	H	α-helix	trans	-56.3	-24.5	172.9	60	0	0	0	0	113.3	P215 N221 E232	P215-S217 WeakPolarHBondContact CB-OG 3.47Å; P215-S217 PolarHBondContact O-N 3.28Å; S217-N221 WeakPolarHBondContact O-CB 3.45Å; S217-N221 VanDerWaalsContact O-CG 3.25Å; S217-N221 PolarHBondContact O-ND2 2.83Å; S217-E232 PolarHBondContact OG-OE2 2.97Å
218	V	75	Confident	72.8	Confident	10 Å²	10	60 Å²	60	6%	0.061	34%	0.337	C	S	.	.	H	α-helix	trans	-80.8	-34.5	176.1	-170.4	0	0	0	0	111.8	I168 L214 P215 S216 I506	I168-V218 HydrophobicContact CB-CG2 4.47Å; I168-V218 HydrophobicContact CD1-CG1 3.73Å; I168-V218 HydrophobicContact CD1-CG2 4.1Å; I168-V218 HydrophobicContact CG2-CG2 3.59Å; L214-V218 HydrophobicContact CD1-CB 4.23Å; L214-V218 HydrophobicContact CD1-CG1 4.36Å; L214-V218 HydrophobicContact CD1-CG2 4.23Å; P215-V218 HydrophobicContact CB-CG2 4.23Å; P215-V218 WeakPolarHBondContact O-CB 3.26Å; P215-V218 WeakPolarHBondContact O-CG2 3.34Å; P215-V218 PolarHBondContact O-N 3.31Å; S216-V218 PolarHBondContact O-N 3.32Å; S216-V218 VanDerWaalsContact O-N 3.11Å; V218-I506 HydrophobicContact CG1-CD1 3.51Å
219	L	71.5	Confident	71.3	Confident	93 Å²	93	64.6 Å²	64.6	49%	0.487	37%	0.371	S	S	.	.	H	α-helix	trans	-76.6	-35.3	-179.6	-63.7	168.5	0	0	0	111.8	L214 S216 L504	L214-L219 HydrophobicContact CD2-CD2 3.97Å; L214-L219 HydrophobicContact CD2-CG 4.2Å; S216-L219 PolarHBondContact O-N 3.38Å; L219-L504 HydrophobicContact CD2-CD1 3.97Å
220	E	65.3	Low	70.4	Confident	153 Å²	153	72.3 Å²	72.3	72%	0.715	41%	0.406	S	S	*	.	H	α-helix	trans	-75.2	-30.7	-179.8	-68.6	175.7	-174.5	0	0	112.5	S216 N222	S216-E220 PolarHBondContact O-N 2.9Å; E220-N222 VanDerWaalsContact C-N 3.34Å; E220-N222 PolarHBondContact O-N 3.28Å
221	N	57.6	Low	69.9	Low	72 Å²	72	74.1 Å²	74.1	39%	0.385	42%	0.42	S	S	.	.			trans	-92	49.5	-174.6	-69	-22.8	0	0	0	113.5	S217 S223 L226	S217-N221 WeakPolarHBondContact O-CB 3.45Å; S217-N221 VanDerWaalsContact O-CG 3.25Å; S217-N221 PolarHBondContact O-ND2 2.83Å; N221-S223 PolarHBondContact O-N 3.02Å; N221-L226 HydrophobicContact CB-CD2 4.09Å
222	N	51.2	Low	69.5	Low	114 Å²	114	78.3 Å²	78.3	61%	0.61	44%	0.44	S	S	*	.			trans	-72.9	-3.6	169.9	-80.2	-19.8	0	0	0	113.4	E220	E220-N222 VanDerWaalsContact C-N 3.34Å; E220-N222 PolarHBondContact O-N 3.28Å
223	S	45.8	Very low	69.3	Low	83 Å²	83	82.1 Å²	82.1	58%	0.58	46%	0.457	S	S	*	.	S	Bend	trans	-85.5	127.6	-180	41.1	0	0	0	0	112.3	N221 E225	N221-S223 PolarHBondContact O-N 3.02Å; S223-E225 PolarHBondContact O-N 2.89Å
224	S	50	Low	69.2	Low	96 Å²	96	78.8 Å²	78.8	67%	0.671	44%	0.44	S	S	*	.	S	Bend	trans	-49.6	9.4	-166.6	-44.1	0	0	0	0	120.6
225	E	47	Very low	69.2	Low	181 Å²	181	85.4 Å²	85.4	85%	0.846	47%	0.468	S	S	*	.			trans	-129.4	74.5	179.4	-66.8	-158.4	165.5	0	0	111.9	S223 S227	S223-E225 PolarHBondContact O-N 2.89Å; E225-S227 PolarHBondContact O-N 2.7Å
226	L	48.8	Very low	69.5	Low	47 Å²	47	86.1 Å²	86.1	25%	0.246	47%	0.473	C	S	.	.			trans	-72.9	86	179.4	-64.1	173.3	0	0	0	112	K166 N221 Y228 T624	K166-L226 PolarHBondContact NZ-O 3.42Å; N221-L226 HydrophobicContact CB-CD2 4.09Å; L226-Y228 VanDerWaalsContact C-N 3.3Å; L226-Y228 HydrophobicContact CB-CD2 4.08Å; L226-Y228 HydrophobicContact CB-CE2 4.18Å; L226-Y228 HydrophobicContact CD1-CE2 4.08Å; L226-Y228 HydrophobicContact CD2-CD2 4.21Å; L226-Y228 HydrophobicContact CD2-CE2 3.5Å; L226-Y228 HydrophobicContact CG-CE2 4.12Å; L226-Y228 PolarHBondContact O-N 3.12Å; L226-T624 HydrophobicContact CD1-CG2 4.42Å
227	S	47.1	Very low	70.1	Confident	110 Å²	110	86.4 Å²	86.4	77%	0.769	47%	0.471	S	S	*	.			trans	-87.1	68.1	156.3	73.1	0	0	0	0	109.9	E225 S229	E225-S227 PolarHBondContact O-N 2.7Å; S227-S229 PolarHBondContact O-N 3.07Å
228	Y	55.9	Low	71.1	Confident	53 Å²	53	86 Å²	86	21%	0.208	47%	0.466	C	S	.	.			trans	-65.1	95.3	157.3	-68.1	-70.8	0	0	0	106	I168 L226 E230	I168-Y228 HydrophobicContact CG1-CD2 4.48Å; I168-Y228 HydrophobicContact CG1-CE2 3.99Å; I168-Y228 HydrophobicContact CG2-CD1 4.06Å; I168-Y228 HydrophobicContact CG2-CD2 4.42Å; I168-Y228 HydrophobicContact CG2-CE1 3.56Å; I168-Y228 HydrophobicContact CG2-CE2 3.93Å; I168-Y228 HydrophobicContact CG2-CG 4.48Å; L226-Y228 VanDerWaalsContact C-N 3.3Å; L226-Y228 HydrophobicContact CB-CD2 4.08Å; L226-Y228 HydrophobicContact CB-CE2 4.18Å; L226-Y228 HydrophobicContact CD1-CE2 4.08Å; L226-Y228 HydrophobicContact CD2-CD2 4.21Å; L226-Y228 HydrophobicContact CD2-CE2 3.5Å; L226-Y228 HydrophobicContact CG-CE2 4.12Å; L226-Y228 PolarHBondContact O-N 3.12Å; Y228-E230 PolarHBondContact O-N 2.91Å
229	S	61.5	Low	72	Confident	117 Å²	117	88.1 Å²	88.1	82%	0.818	48%	0.479	S	S	*	.	S	Bend	trans	-66	-31.8	176.4	54.5	0	0	0	0	110.6	S227	S227-S229 PolarHBondContact O-N 3.07Å
230	E	79.2	Confident	73.2	Confident	161 Å²	161	83.8 Å²	83.8	75%	0.752	46%	0.456	S	S	*	.	S	Bend	trans	-144.1	139.7	177.2	-63.6	-175.1	166	0	0	110.8	Y228	Y228-E230 PolarHBondContact O-N 2.91Å
231	P	85.8	Confident	74.6	Confident	52 Å²	52	84.8 Å²	84.8	34%	0.338	45%	0.453	S	S	.	.			trans	-73.5	143.6	175.9	30.3	-33.6	0	0	0	111.4	V167 I168 Y170	V167-P231 HydrophobicContact CB-CB 4.46Å; V167-P231 HydrophobicContact CG1-CB 3.95Å; I168-P231 CarbonylContact O-C 3.56Å; I168-P231 WeakPolarHBondContact O-CA 3.42Å; I168-P231 WeakPolarHBondContact O-CB 3.23Å; Y170-P231 HydrophobicContact CD1-CB 3.97Å; Y170-P231 HydrophobicContact CD1-CG 3.98Å; Y170-P231 HydrophobicContact CE1-CB 4.24Å; Y170-P231 HydrophobicContact CE1-CG 3.9Å; Y170-P231 WeakPolarHBondContact CE1-O 3.25Å
232	E	89.1	Confident	76.3	Confident	90 Å²	90	81.9 Å²	81.9	42%	0.421	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	134	-177.1	-169.8	179.1	155.2	0	0	112	I168 A169 Y170 P215 S217 M234	I168-E232 PolarHBondContact O-N 3.46Å; A169-E232 CarbonylContact C-O 3.48Å; A169-E232 WeakPolarHBondContact CA-O 3.35Å; A169-E232 HydrophobicContact CB-CB 4.39Å; A169-E232 WeakPolarHBondContact CB-O 3.3Å; Y170-E232 PolarHBondContact N-O 3.04Å; P215-E232 WeakPolarHBondContact CB-OE2 3.14Å; S217-E232 PolarHBondContact OG-OE2 2.97Å; E232-M234 PolarHBondContact O-N 2.98Å
233	E	91.7	Very high	78.2	Confident	80 Å²	80	84.6 Å²	84.6	37%	0.374	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	112.5	172.2	-173.4	167	-177.9	0	0	111.1	Y170 S173	Y170-E233 HydrophobicContact CD2-CG 4.32Å; Y170-E233 HydrophobicContact CE1-CB 4.32Å; Y170-E233 HydrophobicContact CE2-CB 3.94Å; Y170-E233 HydrophobicContact CE2-CG 3.78Å; Y170-E233 CarbonylContact O-C 3.52Å; Y170-E233 WeakPolarHBondContact O-CA 3.4Å; S173-E233 WeakPolarHBondContact CB-OE1 3.41Å; S173-E233 PolarHBondContact OG-OE1 3.41Å
234	M	93.9	Very high	80.4	Confident	9 Å²	9	82.6 Å²	82.6	4%	0.044	43%	0.426	C	S	.	.			trans	-81.7	142.5	177.5	-58.2	-178.3	-66.5	0	0	111.3	A169 Y170 A171 F212 P215 E232 L620 L622	A169-M234 HydrophobicContact CB-CE 4.13Å; A169-M234 HydrophobicContact CB-CG 3.87Å; A169-M234 HydrophobicContact CB-SD 3.82Å; Y170-M234 PolarHBondContact O-N 2.87Å; A171-M234 HydrophobicContact CB-CB 4.41Å; F212-M234 HydrophobicContact CD1-CB 3.97Å; P215-M234 HydrophobicContact CG-CG 3.92Å; P215-M234 HydrophobicContact CG-SD 3.93Å; E232-M234 PolarHBondContact O-N 2.98Å; M234-L620 HydrophobicContact CE-CD2 3.84Å; M234-L620 HydrophobicContact CE-CG 4.35Å; M234-L622 HydrophobicContact CE-CD1 3.84Å; M234-L622 HydrophobicContact CE-CD2 4.21Å; M234-L622 HydrophobicContact CE-CG 3.75Å; M234-L622 HydrophobicContact SD-CD1 3.68Å; M234-L622 HydrophobicContact SD-CG 4.27Å
235	K	93.1	Very high	82.5	Confident	154 Å²	154	80.1 Å²	80.1	67%	0.67	40%	0.404	S	S	*	.			trans	-110	153.4	170.4	-66.3	-176.4	-179.5	176.7	0	110.9	F212 V237	F212-K235 WeakPolarHBondContact CD1-O 3.41Å; K235-V237 PolarHBondContact O-N 3.27Å
236	S	94.3	Very high	84.9	Confident	24 Å²	24	71.6 Å²	71.6	17%	0.168	37%	0.365	C	S	.	.			trans	-70.3	130.2	177.1	60.7	0	0	0	0	110.2	E174 L211 V239	E174-S236 PolarHBondContact OE1-N 2.76Å; E174-S236 PolarHBondContact OE1-OG 3.14Å; E174-S236 PolarHBondContact OE2-OG 3.26Å; L211-S236 CarbonylContact O-C 3.6Å; L211-S236 WeakPolarHBondContact O-CA 3.33Å; S236-V239 WeakPolarHBondContact OG-CG2 3.31Å
237	V	94.3	Very high	87.2	Confident	81 Å²	81	73 Å²	73	49%	0.491	37%	0.367	S	S	.	.	S	Bend	trans	-84.2	-41.8	176.8	-179.4	0	0	0	0	109.6	L211 N213 K235	L211-V237 HydrophobicContact CD2-CB 4.22Å; L211-V237 PolarHBondContact O-N 3.47Å; N213-V237 HydrophobicContact CB-CG2 4.27Å; K235-V237 PolarHBondContact O-N 3.27Å
238	L	94.8	Very high	89.5	Confident	27 Å²	27	69.3 Å²	69.3	14%	0.141	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.8	175.8	-62.3	175.2	0	0	0	111.5	R210 L211 A279	R210-L238 WeakPolarHBondContact CA-O 3.37Å; L211-L238 HydrophobicContact CB-CB 4.11Å; L211-L238 HydrophobicContact CD1-CD1 4.4Å; L211-L238 PolarHBondContact N-O 3.47Å; L238-A279 VanDerWaalsContact CD1-C 3.42Å; L238-A279 WeakPolarHBondContact CD1-O 3.23Å
239	V	95.1	Very high	91.5	Very high	54 Å²	54	67.7 Å²	67.7	33%	0.327	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	103	-177.7	-178.4	0	0	0	0	108.3	I208 S236 R241	I208-V239 HydrophobicContact CG2-CG1 3.39Å; S236-V239 WeakPolarHBondContact OG-CG2 3.31Å; V239-R241 HydrophobicContact CG1-CG 4.11Å
240	M	95.8	Very high	93.2	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	113.9	177.7	-59.5	161.3	-78.7	0	0	108.9	L201 L209 L265 W277	L201-M240 HydrophobicContact CD1-CE 3.78Å; L209-M240 HydrophobicContact CB-CB 4.23Å; L209-M240 HydrophobicContact CB-CE 3.74Å; L209-M240 HydrophobicContact CD1-CE 4.49Å; L209-M240 PolarHBondContact N-O 2.53Å; L209-M240 PolarHBondContact O-N 3.23Å; M240-L265 HydrophobicContact CE-CD1 4.09Å; M240-L265 HydrophobicContact CE-CD2 3.68Å; M240-L265 HydrophobicContact CE-CG 4.48Å; M240-L265 HydrophobicContact SD-CD1 3.92Å; M240-L265 HydrophobicContact SD-CD2 3.98Å; M240-L265 HydrophobicContact SD-CG 4.33Å; M240-W277 HydrophobicContact CB-CD2 4.09Å; M240-W277 HydrophobicContact CB-CE3 3.89Å; M240-W277 HydrophobicContact CB-CH2 4.27Å; M240-W277 HydrophobicContact CB-CZ2 4.47Å; M240-W277 HydrophobicContact CB-CZ3 3.98Å; M240-W277 HydrophobicContact CG-CD2 4.06Å; M240-W277 HydrophobicContact CG-CE3 3.75Å; M240-W277 HydrophobicContact CG-CG 4.44Å; M240-W277 HydrophobicContact CG-CZ3 4.23Å; M240-W277 HydrophobicContact SD-CB 3.49Å; M240-W277 WeakPolarHBondContact SD-CB 3.37Å; M240-W277 HydrophobicContact SD-CD2 3.86Å; M240-W277 HydrophobicContact SD-CE3 4.09Å; M240-W277 HydrophobicContact SD-CG 3.62Å
241	R	94.5	Very high	94.1	Very high	174 Å²	174	56.3 Å²	56.3	66%	0.657	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	125	-174.9	-60	-169.7	174.7	111.8	-0.2	111.2	I208 V239	I208-R241 HydrophobicContact CD1-CG 4.17Å; I208-R241 HydrophobicContact CG1-CG 4.08Å; I208-R241 HydrophobicContact CG2-CG 4.46Å; V239-R241 HydrophobicContact CG1-CG 4.11Å
242	E	93.5	Very high	94.6	Very high	12 Å²	12	54 Å²	54	6%	0.056	25%	0.252	C	S	.	.			trans	-99.1	148.9	169.1	-73.8	-81	-146.9	0	0	110.7	N207 E244 I246 S267 S269 R275 W277	N207-E242 HydrophobicContact CB-CB 4.47Å; N207-E242 PolarHBondContact O-N 2.84Å; E242-E244 VanDerWaalsContact C-N 3.31Å; E242-E244 PolarHBondContact O-N 2.92Å; E242-I246 HydrophobicContact CB-CD1 4.06Å; E242-I246 HydrophobicContact CB-CG1 3.87Å; E242-I246 HydrophobicContact CG-CD1 3.9Å; E242-I246 HydrophobicContact CG-CG1 3.94Å; E242-S267 PolarHBondContact OE1-OG 2.77Å; E242-S269 PolarHBondContact OE1-OG 3.42Å; E242-S269 VanDerWaalsContact OE1-OG 3.1Å; E242-S269 PolarHBondContact OE2-OG 3.2Å; E242-S269 VanDerWaalsContact OE2-OG 3.13Å; E242-R275 IonicContact OE2-CZ 3.57Å; E242-R275 IonicContact OE2-NE 3.49Å; E242-R275 IonicContact OE2-NH1 3.14Å; E242-R275 PolarHBondContact OE2-NH1 2.86Å; E242-W277 HydrophobicContact CG-CZ2 4.22Å
243	K	90.4	Very high	94.9	Very high	170 Å²	170	51.7 Å²	51.7	74%	0.739	25%	0.246	S	C	*	.	S	Bend	trans	-73.8	-24.5	-178.5	-66.3	-177	179	179.5	0	112.6
244	E	93.4	Very high	95.1	Very high	42 Å²	42	51.9 Å²	51.9	20%	0.196	25%	0.249	C	C	.	.	S	Bend	trans	-142	178.1	-175.2	-125	-93.3	-149.5	0	0	110.2	N207 E242 I246 R270 R271	N207-E244 WeakPolarHBondContact CB-O 3.35Å; N207-E244 VanDerWaalsContact CG-C 3.42Å; E242-E244 VanDerWaalsContact C-N 3.31Å; E242-E244 PolarHBondContact O-N 2.92Å; E244-I246 PolarHBondContact O-N 2.65Å; E244-R270 HydrophobicContact CB-CB 4.23Å; E244-R270 VanDerWaalsContact CB-O 3.3Å; E244-R270 WeakPolarHBondContact CB-O 3.15Å; E244-R270 HydrophobicContact CG-CB 4.4Å; E244-R270 VanDerWaalsContact OE1-CD 3.23Å; E244-R270 WeakPolarHBondContact OE1-CD 3.33Å; E244-R270 IonicContact OE1-CZ 3.66Å; E244-R270 IonicContact OE1-NE 2.93Å; E244-R270 IonicContact OE1-NH1 3.72Å; E244-R270 PolarHBondContact OE1-NH1 3.33Å; E244-R270 VanDerWaalsContact OE1-NH1 3.14Å; E244-R270 WeakPolarHBondContact OE2-CB 3.48Å; E244-R270 WeakPolarHBondContact OE2-CD 3.38Å; E244-R271 IonicContact OE1-CZ 3.31Å; E244-R271 IonicContact OE1-NE 3.66Å; E244-R271 IonicContact OE1-NH2 2.83Å; E244-R271 PolarHBondContact OE1-NH2 3.29Å
245	L	93.9	Very high	95.1	Very high	43 Å²	43	51.8 Å²	51.8	23%	0.225	25%	0.248	C	C	.	.			trans	-47.1	118.7	-179.2	-164.9	80.4	0	0	0	112.5	R189 N207 Y247 S269 R270	R189-L245 VanDerWaalsContact CZ-CD1 3.49Å; N207-L245 VanDerWaalsContact OD1-CA 3.26Å; N207-L245 WeakPolarHBondContact OD1-CA 3.42Å; N207-L245 PolarHBondContact OD1-N 3.12Å; L245-Y247 HydrophobicContact CD2-CD1 4.07Å; L245-Y247 HydrophobicContact CD2-CE1 3.77Å; L245-Y247 PolarHBondContact O-N 2.73Å; L245-S269 CarbonylContact O-C 3.6Å; L245-S269 WeakPolarHBondContact O-CA 3.49Å; L245-R270 HydrophobicContact CB-CB 4.21Å; L245-R270 PolarHBondContact O-N 3.41Å
246	I	96.6	Very high	95.2	Very high	3 Å²	3	47 Å²	47	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	119.9	169.2	-54.3	-178.4	0	0	0	108.3	N203 N207 L209 E242 E244 Y249 S268	N203-I246 WeakPolarHBondContact ND2-CG2 3.46Å; N207-I246 HydrophobicContact CB-CG1 4.49Å; L209-I246 HydrophobicContact CD1-CD1 4.31Å; L209-I246 HydrophobicContact CD2-CD1 3.89Å; L209-I246 HydrophobicContact CG-CD1 3.64Å; E242-I246 HydrophobicContact CB-CD1 4.06Å; E242-I246 HydrophobicContact CB-CG1 3.87Å; E242-I246 HydrophobicContact CG-CD1 3.9Å; E242-I246 HydrophobicContact CG-CG1 3.94Å; E244-I246 PolarHBondContact O-N 2.65Å; I246-Y249 HydrophobicContact CG2-CD1 4.48Å; I246-S268 CarbonylContact C-O 3.6Å; I246-S268 WeakPolarHBondContact CA-O 3.28Å
247	Y	96.5	Very high	95.1	Very high	76 Å²	76	47.6 Å²	47.6	30%	0.298	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-42.6	177.1	-70.6	-49.6	0	0	0	112.3	L245 S268 R270 A300 K444	L245-Y247 HydrophobicContact CD2-CD1 4.07Å; L245-Y247 HydrophobicContact CD2-CE1 3.77Å; L245-Y247 PolarHBondContact O-N 2.73Å; Y247-S268 PolarHBondContact N-O 3.48Å; Y247-R270 HydrophobicContact CE1-CB 4.45Å; Y247-R270 HydrophobicContact CE2-CB 3.69Å; Y247-R270 HydrophobicContact CE2-CG 4.23Å; Y247-R270 VanDerWaalsContact OH-CD 3.24Å; Y247-R270 WeakPolarHBondContact OH-CD 3.47Å; Y247-R270 WeakPolarHBondContact OH-CG 3.13Å; Y247-A300 WeakPolarHBondContact CD2-O 3.31Å; Y247-K444 PolarHBondContact O-NZ 3.25Å
248	D	97.3	Very high	95	Very high	32 Å²	32	47.3 Å²	47.3	17%	0.171	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	158.2	-178	-151.8	9.5	0	0	0	111.6	S268 S302 L303	D248-S268 PolarHBondContact O-N 2.86Å; D248-S302 WeakPolarHBondContact OD2-CA 3.43Å; D248-L303 PolarHBondContact OD2-N 2.86Å
249	Y	97.4	Very high	94.9	Very high	19 Å²	19	48.8 Å²	48.8	8%	0.075	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	146.8	177	61.6	-86.5	0	0	0	109.6	G190 C191 L201 N203 L209 I246 A266	G190-Y249 PolarHBondContact O-OH 2.88Å; C191-Y249 PolarHBondContact N-OH 2.99Å; L201-Y249 HydrophobicContact CD2-CD2 3.46Å; L201-Y249 VanDerWaalsContact CD2-CD2 3.46Å; L201-Y249 HydrophobicContact CD2-CE2 3.97Å; L201-Y249 HydrophobicContact CD2-CG 4.36Å; L201-Y249 HydrophobicContact CG-CD2 4.04Å; L201-Y249 HydrophobicContact CG-CE2 4.11Å; N203-Y249 HydrophobicContact CB-CD1 3.86Å; N203-Y249 HydrophobicContact CB-CE1 3.34Å; L209-Y249 HydrophobicContact CD2-CD1 4Å; L209-Y249 HydrophobicContact CD2-CD2 4.46Å; L209-Y249 HydrophobicContact CD2-CG 3.93Å; I246-Y249 HydrophobicContact CG2-CD1 4.48Å; Y249-A266 CarbonylContact C-O 3.55Å; Y249-A266 WeakPolarHBondContact CA-O 3.29Å
250	C	97.1	Very high	94.8	Very high	22 Å²	22	49.1 Å²	49.1	15%	0.149	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	146	178.7	58.3	0	0	0	0	111.8	L265 A266	C250-L265 CarbonylContact O-C 3.53Å; C250-L265 WeakPolarHBondContact O-CA 3.38Å; C250-A266 PolarHBondContact N-O 2.78Å; C250-A266 PolarHBondContact O-N 3.33Å
251	W	97.8	Very high	94.6	Very high	18 Å²	18	51.7 Å²	51.7	7%	0.068	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	149.1	173.1	-74	108.3	0	0	0	111.3	S192 W193 P195 C199 L201 L211 M255 L265 A279 F305	S192-W251 PolarHBondContact O-NE1 2.52Å; W193-W251 PolarHBondContact O-NE1 3.04Å; P195-W251 HydrophobicContact CG-CB 4.3Å; C199-W251 HydrophobicContact CB-CH2 4.36Å; C199-W251 HydrophobicContact CB-CZ2 4.45Å; L201-W251 HydrophobicContact CB-CZ2 3.62Å; L201-W251 HydrophobicContact CD2-CZ2 4.42Å; L201-W251 HydrophobicContact CG-CZ2 4.5Å; L211-W251 HydrophobicContact CD1-CH2 3.64Å; L211-W251 HydrophobicContact CD1-CZ2 4.39Å; L211-W251 HydrophobicContact CG-CH2 4.5Å; W251-M255 HydrophobicContact CE3-CG 4.31Å; W251-M255 HydrophobicContact CE3-SD 4.43Å; W251-M255 HydrophobicContact CZ3-CE 4.33Å; W251-M255 HydrophobicContact CZ3-CG 4.4Å; W251-M255 HydrophobicContact CZ3-SD 4.3Å; W251-L265 HydrophobicContact CD2-CB 4.36Å; W251-L265 HydrophobicContact CE3-CB 3.88Å; W251-L265 HydrophobicContact CE3-CD2 4.3Å; W251-L265 HydrophobicContact CH2-CD2 4.11Å; W251-L265 HydrophobicContact CZ3-CB 4.27Å; W251-L265 HydrophobicContact CZ3-CD2 3.88Å; W251-A279 HydrophobicContact CH2-CB 4.2Å; W251-A279 HydrophobicContact CZ3-CB 3.67Å; W251-F305 VanDerWaalsContact O-CD2 3.24Å; W251-F305 WeakPolarHBondContact O-CD2 3.46Å
252	Y	97.3	Very high	94.6	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.008	24%	0.239	C	C	.	.			trans	-62.4	128.4	162.6	-175.8	-108.6	0	0	0	108.8	F46 P195 L254 M255 S262 C264 F305 G309	F46-Y252 HydrophobicContact CE2-CE1 4.08Å; F46-Y252 HydrophobicContact CE2-CE2 4.41Å; F46-Y252 AromaticContact CE2-CZ 3.87Å; F46-Y252 HydrophobicContact CZ-CD1 4.49Å; F46-Y252 HydrophobicContact CZ-CD2 4.32Å; F46-Y252 HydrophobicContact CZ-CE1 4.1Å; F46-Y252 AromaticContact CZ-CE2 3.92Å; F46-Y252 HydrophobicContact CZ-CE2 3.92Å; F46-Y252 AromaticContact CZ-CZ 3.83Å; P195-Y252 WeakPolarHBondContact CG-O 3.48Å; Y252-L254 HydrophobicContact CD1-CB 4.21Å; Y252-L254 HydrophobicContact CE1-CB 3.74Å; Y252-L254 HydrophobicContact CE1-CG 4.45Å; Y252-L254 PolarHBondContact O-N 2.89Å; Y252-M255 WeakPolarHBondContact O-CB 3.46Å; Y252-M255 PolarHBondContact O-N 2.99Å; Y252-S262 WeakPolarHBondContact CD1-O 3.43Å; Y252-C264 WeakPolarHBondContact CB-O 3.45Å; Y252-C264 PolarHBondContact N-O 3.1Å; Y252-F305 HydrophobicContact CD2-CD1 4.1Å; Y252-F305 HydrophobicContact CD2-CE1 4.04Å; Y252-F305 HydrophobicContact CD2-CG 4.46Å; Y252-F305 HydrophobicContact CD2-CZ 4.35Å; Y252-G309 WeakPolarHBondContact CE2-O 3.26Å
253	P	95.1	Very high	94.7	Very high	43 Å²	43	43.1 Å²	43.1	28%	0.279	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-22	-164.7	24.8	-34.2	0	0	0	113.9	F305 S306	P253-F305 HydrophobicContact CG-CB 3.91Å; P253-S306 WeakPolarHBondContact CG-O 3.48Å
254	L	94.7	Very high	94.9	Very high	84 Å²	84	35 Å²	35	44%	0.44	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	19.3	177.5	-53.8	174	0	0	0	111.8	Y252 C256 S262	Y252-L254 HydrophobicContact CD1-CB 4.21Å; Y252-L254 HydrophobicContact CE1-CB 3.74Å; Y252-L254 HydrophobicContact CE1-CG 4.45Å; Y252-L254 PolarHBondContact O-N 2.89Å; L254-C256 PolarHBondContact O-N 2.9Å; L254-S262 WeakPolarHBondContact O-CB 3.44Å
255	M	95	Very high	95.1	Very high	7 Å²	7	33 Å²	33	3%	0.034	19%	0.192	C	C	.	.			trans	-63.5	127.2	179.2	177.1	-89.6	174.9	0	0	110.5	S194 P195 W251 Y252 S257 S262 C263	S194-M255 VanDerWaalsContact CB-SD 3.56Å; P195-M255 HydrophobicContact CG-CB 4.2Å; W251-M255 HydrophobicContact CE3-CG 4.31Å; W251-M255 HydrophobicContact CE3-SD 4.43Å; W251-M255 HydrophobicContact CZ3-CE 4.33Å; W251-M255 HydrophobicContact CZ3-CG 4.4Å; W251-M255 HydrophobicContact CZ3-SD 4.3Å; Y252-M255 WeakPolarHBondContact O-CB 3.46Å; Y252-M255 PolarHBondContact O-N 2.99Å; M255-S257 WeakPolarHBondContact CE-OG 3.45Å; M255-S262 WeakPolarHBondContact CB-O 3.21Å; M255-C263 HydrophobicContact CE-CB 4.44Å; M255-C263 VanDerWaalsContact CE-SG 3.51Å; M255-C263 HydrophobicContact CG-CB 4.44Å
256	C	94.6	Very high	95.3	Very high	54 Å²	54	31 Å²	31	37%	0.365	18%	0.181	S	C	.	.			trans	-138.6	128.3	176	178.9	0	0	0	0	108.7	L254 A258 D259 S262 C263	L254-C256 PolarHBondContact O-N 2.9Å; C256-A258 PolarHBondContact O-N 3.25Å; C256-A258 VanDerWaalsContact O-N 3.15Å; C256-D259 CarbonylContact O-C 3.56Å; C256-D259 PolarHBondContact O-N 2.79Å; C256-S262 PolarHBondContact N-OG 2.94Å; C256-S262 PolarHBondContact O-OG 3.13Å; C256-S262 VanDerWaalsContact O-OG 3.1Å; C256-C263 PolarHBondContact O-SG 2.95Å
257	S	91.4	Very high	95.3	Very high	36 Å²	36	30.8 Å²	30.8	25%	0.252	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.5	-177.3	-58.6	0	0	0	0	113.6	D196 S198 M255 D259 F280	D196-S257 VanDerWaalsContact OD2-CB 3.3Å; D196-S257 WeakPolarHBondContact OD2-CB 3.3Å; D196-S257 PolarHBondContact OD2-N 3.03Å; D196-S257 PolarHBondContact OD2-OG 2.79Å; S198-S257 WeakPolarHBondContact CB-OG 3.49Å; S198-S257 PolarHBondContact OG-OG 2.77Å; M255-S257 WeakPolarHBondContact CE-OG 3.45Å; S257-D259 VanDerWaalsContact C-N 3.3Å; S257-F280 WeakPolarHBondContact O-CZ 3.17Å
258	A	92.2	Very high	95.4	Very high	75 Å²	75	27.2 Å²	27.2	62%	0.62	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-25.1	172.6	0	0	0	0	0	112.8	C256	C256-A258 PolarHBondContact O-N 3.25Å; C256-A258 VanDerWaalsContact O-N 3.15Å
259	D	93.4	Very high	95.3	Very high	57 Å²	57	25.7 Å²	25.7	31%	0.305	16%	0.158	S	C	.	.			trans	-108.7	101	175.3	177.5	27.9	0	0	0	111.1	C256 S257 I261 S262 C263	C256-D259 CarbonylContact O-C 3.56Å; C256-D259 PolarHBondContact O-N 2.79Å; S257-D259 VanDerWaalsContact C-N 3.3Å; D259-I261 PolarHBondContact O-N 3.39Å; D259-I261 VanDerWaalsContact OD1-CB 3.29Å; D259-I261 WeakPolarHBondContact OD1-CB 3.29Å; D259-I261 PolarHBondContact OD1-N 3.4Å; D259-I261 VanDerWaalsContact OD1-N 3.15Å; D259-S262 PolarHBondContact O-N 2.94Å; D259-S262 VanDerWaalsContact O-N 3.15Å; D259-S262 PolarHBondContact O-OG 3.1Å; D259-S262 VanDerWaalsContact OD2-CB 3.29Å; D259-S262 WeakPolarHBondContact OD2-CB 3.39Å; D259-S262 PolarHBondContact OD2-N 2.83Å; D259-C263 PolarHBondContact O-N 3.1Å; D259-C263 PolarHBondContact O-SG 3.48Å
260	P	92	Very high	95.2	Very high	61 Å²	61	29.9 Å²	29.9	40%	0.396	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.1	-179.2	27	-35	0	0	0	113.4	F280 R285	P260-F280 HydrophobicContact CB-CD2 4.13Å; P260-F280 HydrophobicContact CB-CE2 4.02Å; P260-R285 PolarHBondContact O-NH1 2.99Å; P260-R285 PolarHBondContact O-NH2 3.04Å
261	I	92	Very high	95	Very high	56 Å²	56	37.2 Å²	37.2	29%	0.287	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-46.9	178.8	-69.7	177.3	0	0	0	110.6	F46 D259 C263 R285	F46-I261 HydrophobicContact CB-CB 4.46Å; F46-I261 HydrophobicContact CB-CG2 3.13Å; F46-I261 HydrophobicContact CD1-CG2 4.36Å; F46-I261 HydrophobicContact CD2-CG2 3.34Å; F46-I261 HydrophobicContact CE2-CG2 4.31Å; F46-I261 HydrophobicContact CG-CG2 3.39Å; D259-I261 PolarHBondContact O-N 3.39Å; D259-I261 VanDerWaalsContact OD1-CB 3.29Å; D259-I261 WeakPolarHBondContact OD1-CB 3.29Å; D259-I261 PolarHBondContact OD1-N 3.4Å; D259-I261 VanDerWaalsContact OD1-N 3.15Å; I261-C263 PolarHBondContact O-N 3.33Å; I261-R285 PolarHBondContact O-NH1 3.06Å
262	S	94.4	Very high	94.8	Very high	5 Å²	5	37.5 Å²	37.5	4%	0.035	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-16.8	176.7	75.8	0	0	0	0	114.6	Y252 L254 M255 C256 D259 C264	Y252-S262 WeakPolarHBondContact CD1-O 3.43Å; L254-S262 WeakPolarHBondContact O-CB 3.44Å; M255-S262 WeakPolarHBondContact CB-O 3.21Å; C256-S262 PolarHBondContact N-OG 2.94Å; C256-S262 PolarHBondContact O-OG 3.13Å; C256-S262 VanDerWaalsContact O-OG 3.1Å; D259-S262 PolarHBondContact O-N 2.94Å; D259-S262 VanDerWaalsContact O-N 3.15Å; D259-S262 PolarHBondContact O-OG 3.1Å; D259-S262 VanDerWaalsContact OD2-CB 3.29Å; D259-S262 WeakPolarHBondContact OD2-CB 3.39Å; D259-S262 PolarHBondContact OD2-N 2.83Å; S262-C264 PolarHBondContact O-N 3.01Å
263	C	95.5	Very high	94.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.			trans	-73.6	71.1	-174.8	-72.8	0	0	0	0	113.4	M255 C256 D259 I261 A279 F280	M255-C263 HydrophobicContact CE-CB 4.44Å; M255-C263 VanDerWaalsContact CE-SG 3.51Å; M255-C263 HydrophobicContact CG-CB 4.44Å; C256-C263 PolarHBondContact O-SG 2.95Å; D259-C263 PolarHBondContact O-N 3.1Å; D259-C263 PolarHBondContact O-SG 3.48Å; I261-C263 PolarHBondContact O-N 3.33Å; C263-A279 HydrophobicContact CB-CB 4.2Å; C263-A279 PolarHBondContact O-N 2.87Å; C263-F280 HydrophobicContact CB-CD2 3.51Å; C263-F280 HydrophobicContact CB-CE2 3.55Å; C263-F280 WeakPolarHBondContact SG-CE2 3.31Å
264	C	96	Very high	94.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	154.2	179.7	-61.7	0	0	0	0	112.2	F46 Y252 S262 L276 W277 R285	F46-C264 VanDerWaalsContact CE1-SG 3.58Å; Y252-C264 WeakPolarHBondContact CB-O 3.45Å; Y252-C264 PolarHBondContact N-O 3.1Å; S262-C264 PolarHBondContact O-N 3.01Å; C264-L276 HydrophobicContact CB-CD1 3.93Å; C264-L276 HydrophobicContact CB-CD2 4.41Å; C264-L276 HydrophobicContact CB-CG 4.12Å; C264-W277 VanDerWaalsContact CA-O 3.25Å; C264-W277 WeakPolarHBondContact CA-O 3Å; C264-R285 VanDerWaalsContact SG-CD 3.6Å; C264-R285 PolarHBondContact SG-NH1 2.91Å
265	L	97	Very high	95	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	148.7	168.7	62.9	94.6	0	0	0	110	L201 L209 M240 C250 W251 L276 W277 A279	L201-L265 HydrophobicContact CD1-CD2 4.21Å; L201-L265 HydrophobicContact CD2-CB 4.5Å; L201-L265 HydrophobicContact CD2-CD1 4.24Å; L201-L265 HydrophobicContact CD2-CD2 4.13Å; L209-L265 HydrophobicContact CD1-CD1 4.08Å; M240-L265 HydrophobicContact CE-CD1 4.09Å; M240-L265 HydrophobicContact CE-CD2 3.68Å; M240-L265 HydrophobicContact CE-CG 4.48Å; M240-L265 HydrophobicContact SD-CD1 3.92Å; M240-L265 HydrophobicContact SD-CD2 3.98Å; M240-L265 HydrophobicContact SD-CG 4.33Å; C250-L265 CarbonylContact O-C 3.53Å; C250-L265 WeakPolarHBondContact O-CA 3.38Å; W251-L265 HydrophobicContact CD2-CB 4.36Å; W251-L265 HydrophobicContact CE3-CB 3.88Å; W251-L265 HydrophobicContact CE3-CD2 4.3Å; W251-L265 HydrophobicContact CH2-CD2 4.11Å; W251-L265 HydrophobicContact CZ3-CB 4.27Å; W251-L265 HydrophobicContact CZ3-CD2 3.88Å; L265-L276 CarbonylContact O-C 3.49Å; L265-L276 WeakPolarHBondContact O-CA 3.27Å; L265-W277 HydrophobicContact CD1-CB 3.86Å; L265-W277 HydrophobicContact CD1-CG 3.98Å; L265-W277 HydrophobicContact CG-CB 3.98Å; L265-W277 PolarHBondContact N-O 2.95Å; L265-W277 PolarHBondContact O-N 3.38Å; L265-A279 HydrophobicContact CD2-CB 4.23Å
266	A	97.9	Very high	95.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	143.6	176.9	0	0	0	0	0	111.4	Y249 C250 R275 L276 L303 F305 L312	Y249-A266 CarbonylContact C-O 3.55Å; Y249-A266 WeakPolarHBondContact CA-O 3.29Å; C250-A266 PolarHBondContact N-O 2.78Å; C250-A266 PolarHBondContact O-N 3.33Å; A266-R275 CarbonylContact C-O 3.47Å; A266-R275 VanDerWaalsContact CA-O 3.26Å; A266-R275 WeakPolarHBondContact CA-O 3.41Å; A266-L276 HydrophobicContact CB-CD1 4.33Å; A266-L303 HydrophobicContact CB-CD1 4.17Å; A266-F305 HydrophobicContact CB-CE2 3.71Å; A266-F305 HydrophobicContact CB-CZ 3.67Å; A266-L312 HydrophobicContact CB-CD1 4.28Å
267	S	97.7	Very high	95.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.7	170.7	72.1	0	0	0	0	111.3	E242 I274 R275 W277	E242-S267 PolarHBondContact OE1-OG 2.77Å; S267-I274 WeakPolarHBondContact O-CA 3.45Å; S267-I274 WeakPolarHBondContact O-CG2 3.38Å; S267-R275 PolarHBondContact N-O 3.16Å; S267-R275 PolarHBondContact O-N 3.48Å; S267-W277 PolarHBondContact OG-NE1 2.87Å
268	S	97	Very high	95.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126	164.6	-164.7	0	0	0	0	109.8	I246 Y247 D248 A300 L303	I246-S268 CarbonylContact C-O 3.6Å; I246-S268 WeakPolarHBondContact CA-O 3.28Å; Y247-S268 PolarHBondContact N-O 3.48Å; D248-S268 PolarHBondContact O-N 2.86Å; S268-A300 PolarHBondContact OG-N 3.42Å; S268-A300 PolarHBondContact OG-O 3.1Å; S268-L303 VanDerWaalsContact N-CD1 3.31Å
269	S	96.3	Very high	95.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	156.9	175.6	59.1	0	0	0	0	111.4	E242 L245 R271 N272 S299	E242-S269 PolarHBondContact OE1-OG 3.42Å; E242-S269 VanDerWaalsContact OE1-OG 3.1Å; E242-S269 PolarHBondContact OE2-OG 3.2Å; E242-S269 VanDerWaalsContact OE2-OG 3.13Å; L245-S269 CarbonylContact O-C 3.6Å; L245-S269 WeakPolarHBondContact O-CA 3.49Å; S269-R271 PolarHBondContact O-N 3.42Å; S269-N272 PolarHBondContact O-N 2.93Å; S269-N272 WeakPolarHBondContact OG-CB 3.37Å; S269-N272 PolarHBondContact OG-ND2 3.44Å; S269-S299 VanDerWaalsContact O-CB 3.31Å; S269-S299 WeakPolarHBondContact O-CB 3.46Å; S269-S299 PolarHBondContact O-OG 3.29Å
270	R	95.3	Very high	95.6	Very high	107 Å²	107	30.5 Å²	30.5	40%	0.404	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	132.1	-176.2	178.8	169.6	-178.5	-151	11	111.6	E244 L245 Y247 N272	E244-R270 HydrophobicContact CB-CB 4.23Å; E244-R270 VanDerWaalsContact CB-O 3.3Å; E244-R270 WeakPolarHBondContact CB-O 3.15Å; E244-R270 HydrophobicContact CG-CB 4.4Å; E244-R270 VanDerWaalsContact OE1-CD 3.23Å; E244-R270 WeakPolarHBondContact OE1-CD 3.33Å; E244-R270 IonicContact OE1-CZ 3.66Å; E244-R270 IonicContact OE1-NE 2.93Å; E244-R270 IonicContact OE1-NH1 3.72Å; E244-R270 PolarHBondContact OE1-NH1 3.33Å; E244-R270 VanDerWaalsContact OE1-NH1 3.14Å; E244-R270 WeakPolarHBondContact OE2-CB 3.48Å; E244-R270 WeakPolarHBondContact OE2-CD 3.38Å; L245-R270 HydrophobicContact CB-CB 4.21Å; L245-R270 PolarHBondContact O-N 3.41Å; Y247-R270 HydrophobicContact CE1-CB 4.45Å; Y247-R270 HydrophobicContact CE2-CB 3.69Å; Y247-R270 HydrophobicContact CE2-CG 4.23Å; Y247-R270 VanDerWaalsContact OH-CD 3.24Å; Y247-R270 WeakPolarHBondContact OH-CD 3.47Å; Y247-R270 WeakPolarHBondContact OH-CG 3.13Å; R270-N272 PolarHBondContact O-N 2.92Å; R270-N272 VanDerWaalsContact O-N 3.16Å
271	R	91.8	Very high	95.7	Very high	177 Å²	177	31.5 Å²	31.5	67%	0.668	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	16.6	-178.3	-68	177.2	-86.5	161.9	-6.1	114.2	E244 S269 S299	E244-R271 IonicContact OE1-CZ 3.31Å; E244-R271 IonicContact OE1-NE 3.66Å; E244-R271 IonicContact OE1-NH2 2.83Å; E244-R271 PolarHBondContact OE1-NH2 3.29Å; S269-R271 PolarHBondContact O-N 3.42Å; R271-S299 WeakPolarHBondContact CA-OG 3.45Å; R271-S299 PolarHBondContact N-OG 3.2Å
272	N	93.9	Very high	95.8	Very high	23 Å²	23	29.6 Å²	29.6	12%	0.123	14%	0.139	C	C	.	.	S	Bend	trans	-118.7	155.7	172.3	-66.8	-43.1	0	0	0	109.6	S269 R270 S299	S269-N272 PolarHBondContact O-N 2.93Å; S269-N272 WeakPolarHBondContact OG-CB 3.37Å; S269-N272 PolarHBondContact OG-ND2 3.44Å; R270-N272 PolarHBondContact O-N 2.92Å; R270-N272 VanDerWaalsContact O-N 3.16Å; N272-S299 PolarHBondContact N-OG 3.05Å; N272-S299 PolarHBondContact O-OG 2.8Å
273	P	95.9	Very high	95.8	Very high	31 Å²	31	33.5 Å²	33.5	20%	0.201	16%	0.162	C	C	.	.			trans	-67.3	167.3	168.8	32	-36.6	0	0	0	110.8	T287 Y288 I289	P273-T287 HydrophobicContact CB-CG2 3.48Å; P273-T287 VanDerWaalsContact CB-CG2 3.48Å; P273-T287 HydrophobicContact CG-CG2 3.37Å; P273-Y288 WeakPolarHBondContact CB-O 3.5Å; P273-I289 HydrophobicContact CB-CG1 4.08Å
274	I	97.8	Very high	95.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.7	174.5	-58.8	163	0	0	0	107.8	S267 T287 Y288 P290 A300 L303 L312 A314 F323	S267-I274 WeakPolarHBondContact O-CA 3.45Å; S267-I274 WeakPolarHBondContact O-CG2 3.38Å; I274-T287 CarbonylContact O-C 3.44Å; I274-T287 WeakPolarHBondContact O-CA 3.49Å; I274-Y288 HydrophobicContact CG2-CD2 4.26Å; I274-Y288 PolarHBondContact N-O 2.89Å; I274-Y288 PolarHBondContact O-N 3.16Å; I274-P290 HydrophobicContact CD1-CG 3.77Å; I274-P290 HydrophobicContact CG1-CG 4.06Å; I274-A300 HydrophobicContact CD1-CB 4.07Å; I274-A300 HydrophobicContact CG1-CB 4.29Å; I274-L303 HydrophobicContact CD1-CD2 3.77Å; I274-L303 HydrophobicContact CG1-CD2 4.07Å; I274-L303 HydrophobicContact CG2-CD1 3.93Å; I274-L303 HydrophobicContact CG2-CD2 4Å; I274-L312 HydrophobicContact CG2-CD2 3.85Å; I274-A314 HydrophobicContact CD1-CB 3.66Å; I274-F323 HydrophobicContact CD1-CE2 4.05Å
275	R	97.6	Very high	95.9	Very high	38 Å²	38	37.9 Å²	37.9	14%	0.143	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.5	-178.4	-68.5	175.6	177.9	-179.3	4.6	110.3	E242 A266 S267 W277 I284	E242-R275 IonicContact OE2-CZ 3.57Å; E242-R275 IonicContact OE2-NE 3.49Å; E242-R275 IonicContact OE2-NH1 3.14Å; E242-R275 PolarHBondContact OE2-NH1 2.86Å; A266-R275 CarbonylContact C-O 3.47Å; A266-R275 VanDerWaalsContact CA-O 3.26Å; A266-R275 WeakPolarHBondContact CA-O 3.41Å; S267-R275 PolarHBondContact N-O 3.16Å; S267-R275 PolarHBondContact O-N 3.48Å; R275-W277 HydrophobicContact CB-CZ2 4.21Å; R275-I284 HydrophobicContact CB-CG2 4.43Å; R275-I284 HydrophobicContact CG-CD1 4.35Å; R275-I284 HydrophobicContact CG-CG2 4.45Å
276	L	97.8	Very high	95.8	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118.5	167	-168.8	72.6	0	0	0	107.8	C264 L265 A266 I284 R285 A286 Y288 F305	C264-L276 HydrophobicContact CB-CD1 3.93Å; C264-L276 HydrophobicContact CB-CD2 4.41Å; C264-L276 HydrophobicContact CB-CG 4.12Å; L265-L276 CarbonylContact O-C 3.49Å; L265-L276 WeakPolarHBondContact O-CA 3.27Å; A266-L276 HydrophobicContact CB-CD1 4.33Å; L276-I284 CarbonylContact O-C 3.56Å; L276-I284 WeakPolarHBondContact O-CA 3.33Å; L276-R285 HydrophobicContact CD2-CB 4.47Å; L276-R285 PolarHBondContact O-N 3.23Å; L276-A286 HydrophobicContact CB-CB 3.89Å; L276-A286 HydrophobicContact CD2-CB 4.03Å; L276-A286 PolarHBondContact N-O 3.34Å; L276-A286 PolarHBondContact O-N 3.06Å; L276-Y288 HydrophobicContact CB-CE2 4.17Å; L276-F305 HydrophobicContact CD1-CE1 4.36Å; L276-F305 HydrophobicContact CD1-CZ 3.72Å
277	W	97.4	Very high	95.8	Very high	12 Å²	12	40 Å²	40	5%	0.045	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	146.5	-179	-55.1	84.7	0	0	0	110.6	M240 E242 C264 L265 S267 R275 V283 I284	M240-W277 HydrophobicContact CB-CD2 4.09Å; M240-W277 HydrophobicContact CB-CE3 3.89Å; M240-W277 HydrophobicContact CB-CH2 4.27Å; M240-W277 HydrophobicContact CB-CZ2 4.47Å; M240-W277 HydrophobicContact CB-CZ3 3.98Å; M240-W277 HydrophobicContact CG-CD2 4.06Å; M240-W277 HydrophobicContact CG-CE3 3.75Å; M240-W277 HydrophobicContact CG-CG 4.44Å; M240-W277 HydrophobicContact CG-CZ3 4.23Å; M240-W277 HydrophobicContact SD-CB 3.49Å; M240-W277 WeakPolarHBondContact SD-CB 3.37Å; M240-W277 HydrophobicContact SD-CD2 3.86Å; M240-W277 HydrophobicContact SD-CE3 4.09Å; M240-W277 HydrophobicContact SD-CG 3.62Å; E242-W277 HydrophobicContact CG-CZ2 4.22Å; C264-W277 VanDerWaalsContact CA-O 3.25Å; C264-W277 WeakPolarHBondContact CA-O 3Å; L265-W277 HydrophobicContact CD1-CB 3.86Å; L265-W277 HydrophobicContact CD1-CG 3.98Å; L265-W277 HydrophobicContact CG-CB 3.98Å; L265-W277 PolarHBondContact N-O 2.95Å; L265-W277 PolarHBondContact O-N 3.38Å; S267-W277 PolarHBondContact OG-NE1 2.87Å; R275-W277 HydrophobicContact CB-CZ2 4.21Å; W277-V283 WeakPolarHBondContact CA-O 3.29Å; W277-I284 HydrophobicContact CD2-CG1 4.17Å; W277-I284 HydrophobicContact CE3-CG1 3.69Å; W277-I284 HydrophobicContact CH2-CD1 4.02Å; W277-I284 HydrophobicContact CH2-CG1 3.8Å; W277-I284 HydrophobicContact CZ2-CG1 4.25Å; W277-I284 HydrophobicContact CZ3-CD1 4.13Å; W277-I284 HydrophobicContact CZ3-CG1 3.49Å; W277-I284 VanDerWaalsContact CZ3-CG1 3.49Å
278	D	96.2	Very high	95.8	Very high	19 Å²	19	40 Å²	40	10%	0.102	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	122.8	164.7	-166.8	-31	0	0	0	110.3	F280 T281 G282 V283 R285	D278-F280 PolarHBondContact O-N 2.97Å; D278-F280 WeakPolarHBondContact OD1-CB 3.49Å; D278-F280 PolarHBondContact OD1-N 2.99Å; D278-T281 WeakPolarHBondContact CB-OG1 3.18Å; D278-T281 PolarHBondContact OD1-N 3.11Å; D278-T281 PolarHBondContact OD2-OG1 2.92Å; D278-T281 VanDerWaalsContact OD2-OG1 3.1Å; D278-G282 VanDerWaalsContact O-CA 3.31Å; D278-G282 WeakPolarHBondContact O-CA 3.24Å; D278-G282 PolarHBondContact O-N 3.1Å; D278-V283 WeakPolarHBondContact CB-O 3.48Å; D278-V283 PolarHBondContact N-O 2.84Å; D278-R285 HydrophobicContact CB-CG 3.85Å; D278-R285 VanDerWaalsContact CB-NE 3.33Å; D278-R285 VanDerWaalsContact CG-CZ 3.45Å; D278-R285 IonicContact OD1-CZ 3.65Å; D278-R285 IonicContact OD1-NE 3.88Å; D278-R285 IonicContact OD1-NH2 3.33Å; D278-R285 PolarHBondContact OD1-NH2 2.86Å; D278-R285 IonicContact OD2-CZ 3.4Å; D278-R285 VanDerWaalsContact OD2-CZ 3.31Å; D278-R285 IonicContact OD2-NE 3.37Å; D278-R285 PolarHBondContact OD2-NE 2.67Å; D278-R285 IonicContact OD2-NH2 3.14Å; D278-R285 PolarHBondContact OD2-NH2 2.99Å
279	A	95.1	Very high	95.8	Very high	10 Å²	10	42.8 Å²	42.8	8%	0.083	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-1	178.5	0	0	0	0	0	114.1	L211 L238 W251 C263 L265	L211-A279 HydrophobicContact CD1-CB 4.22Å; L238-A279 VanDerWaalsContact CD1-C 3.42Å; L238-A279 WeakPolarHBondContact CD1-O 3.23Å; W251-A279 HydrophobicContact CH2-CB 4.2Å; W251-A279 HydrophobicContact CZ3-CB 3.67Å; C263-A279 HydrophobicContact CB-CB 4.2Å; C263-A279 PolarHBondContact O-N 2.87Å; L265-A279 HydrophobicContact CD2-CB 4.23Å
280	F	93.2	Very high	95.8	Very high	102 Å²	102	42.8 Å²	42.8	45%	0.447	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-39.4	171.6	-83.2	-69.6	0	0	0	113.6	S257 P260 C263 D278	S257-F280 WeakPolarHBondContact O-CZ 3.17Å; P260-F280 HydrophobicContact CB-CD2 4.13Å; P260-F280 HydrophobicContact CB-CE2 4.02Å; C263-F280 HydrophobicContact CB-CD2 3.51Å; C263-F280 HydrophobicContact CB-CE2 3.55Å; C263-F280 WeakPolarHBondContact SG-CE2 3.31Å; D278-F280 PolarHBondContact O-N 2.97Å; D278-F280 WeakPolarHBondContact OD1-CB 3.49Å; D278-F280 PolarHBondContact OD1-N 2.99Å
281	T	93.5	Very high	95.9	Very high	81 Å²	81	40.8 Å²	40.8	50%	0.497	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-18.8	-174.2	63.6	0	0	0	0	113.4	D278 V283	D278-T281 WeakPolarHBondContact CB-OG1 3.18Å; D278-T281 PolarHBondContact OD1-N 3.11Å; D278-T281 PolarHBondContact OD2-OG1 2.92Å; D278-T281 VanDerWaalsContact OD2-OG1 3.1Å; T281-V283 PolarHBondContact O-N 3.02Å; T281-V283 PolarHBondContact OG1-N 3.04Å
282	G	94.1	Very high	95.9	Very high	16 Å²	16	33.4 Å²	33.4	17%	0.165	18%	0.18	C	C	.	.			trans	70.4	10.8	-172.6	0	0	0	0	0	113.8	D278	D278-G282 VanDerWaalsContact O-CA 3.31Å; D278-G282 WeakPolarHBondContact O-CA 3.24Å; D278-G282 PolarHBondContact O-N 3.1Å
283	V	95.6	Very high	95.7	Very high	87 Å²	87	37.7 Å²	37.7	53%	0.527	20%	0.199	S	C	.	.			trans	-87.8	151.9	177.5	179.6	0	0	0	0	110.3	W277 D278 T281 R285	W277-V283 WeakPolarHBondContact CA-O 3.29Å; D278-V283 WeakPolarHBondContact CB-O 3.48Å; D278-V283 PolarHBondContact N-O 2.84Å; T281-V283 PolarHBondContact O-N 3.02Å; T281-V283 PolarHBondContact OG1-N 3.04Å; V283-R285 PolarHBondContact O-N 3.38Å
284	I	96.7	Very high	95.6	Very high	46 Å²	46	41.7 Å²	41.7	24%	0.236	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	116.2	175	-58.8	166.9	0	0	0	108.9	R275 L276 W277 A286	R275-I284 HydrophobicContact CB-CG2 4.43Å; R275-I284 HydrophobicContact CG-CD1 4.35Å; R275-I284 HydrophobicContact CG-CG2 4.45Å; L276-I284 CarbonylContact O-C 3.56Å; L276-I284 WeakPolarHBondContact O-CA 3.33Å; W277-I284 HydrophobicContact CD2-CG1 4.17Å; W277-I284 HydrophobicContact CE3-CG1 3.69Å; W277-I284 HydrophobicContact CH2-CD1 4.02Å; W277-I284 HydrophobicContact CH2-CG1 3.8Å; W277-I284 HydrophobicContact CZ2-CG1 4.25Å; W277-I284 HydrophobicContact CZ3-CD1 4.13Å; W277-I284 HydrophobicContact CZ3-CG1 3.49Å; W277-I284 VanDerWaalsContact CZ3-CG1 3.49Å; I284-A286 WeakPolarHBondContact CG2-O 3.2Å
285	R	95.3	Very high	95.2	Very high	47 Å²	47	44.4 Å²	44.4	18%	0.177	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-40.7	175	-69.2	-175.4	171.3	-171.9	3.9	112.4	P52 P260 I261 C264 L276 D278 V283	P52-R285 WeakPolarHBondContact CD-O 3.2Å; P260-R285 PolarHBondContact O-NH1 2.99Å; P260-R285 PolarHBondContact O-NH2 3.04Å; I261-R285 PolarHBondContact O-NH1 3.06Å; C264-R285 VanDerWaalsContact SG-CD 3.6Å; C264-R285 PolarHBondContact SG-NH1 2.91Å; L276-R285 HydrophobicContact CD2-CB 4.47Å; L276-R285 PolarHBondContact O-N 3.23Å; D278-R285 HydrophobicContact CB-CG 3.85Å; D278-R285 VanDerWaalsContact CB-NE 3.33Å; D278-R285 VanDerWaalsContact CG-CZ 3.45Å; D278-R285 IonicContact OD1-CZ 3.65Å; D278-R285 IonicContact OD1-NE 3.88Å; D278-R285 IonicContact OD1-NH2 3.33Å; D278-R285 PolarHBondContact OD1-NH2 2.86Å; D278-R285 IonicContact OD2-CZ 3.4Å; D278-R285 VanDerWaalsContact OD2-CZ 3.31Å; D278-R285 IonicContact OD2-NE 3.37Å; D278-R285 PolarHBondContact OD2-NE 2.67Å; D278-R285 IonicContact OD2-NH2 3.14Å; D278-R285 PolarHBondContact OD2-NH2 2.99Å; V283-R285 PolarHBondContact O-N 3.38Å
286	A	96.3	Very high	95	Very high	2 Å²	2	47.8 Å²	47.8	2%	0.017	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	157.2	-177.7	0	0	0	0	0	111.6	L49 L276 I284 Y288 P328	L49-A286 HydrophobicContact CD2-CB 4.29Å; L276-A286 HydrophobicContact CB-CB 3.89Å; L276-A286 HydrophobicContact CD2-CB 4.03Å; L276-A286 PolarHBondContact N-O 3.34Å; L276-A286 PolarHBondContact O-N 3.06Å; I284-A286 WeakPolarHBondContact CG2-O 3.2Å; A286-Y288 HydrophobicContact CB-CE2 4.33Å; A286-P328 HydrophobicContact CB-CB 3.97Å; A286-P328 HydrophobicContact CB-CG 3.66Å
287	T	97.7	Very high	94.9	Very high	43 Å²	43	51.8 Å²	51.8	26%	0.264	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.5	175.1	-62.8	0	0	0	0	109.2	P273 I274 I289 G329	P273-T287 HydrophobicContact CB-CG2 3.48Å; P273-T287 VanDerWaalsContact CB-CG2 3.48Å; P273-T287 HydrophobicContact CG-CG2 3.37Å; I274-T287 CarbonylContact O-C 3.44Å; I274-T287 WeakPolarHBondContact O-CA 3.49Å; T287-I289 HydrophobicContact CG2-CG1 4.2Å; T287-G329 PolarHBondContact O-N 3.03Å
288	Y	98.1	Very high	94.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126	175.2	-50.5	-85.3	0	0	0	109.2	P273 I274 L276 A286 P290 L312 F323 D324 V325 G329	P273-Y288 WeakPolarHBondContact CB-O 3.5Å; I274-Y288 HydrophobicContact CG2-CD2 4.26Å; I274-Y288 PolarHBondContact N-O 2.89Å; I274-Y288 PolarHBondContact O-N 3.16Å; L276-Y288 HydrophobicContact CB-CE2 4.17Å; A286-Y288 HydrophobicContact CB-CE2 4.33Å; Y288-P290 WeakPolarHBondContact O-CD 3.26Å; Y288-L312 HydrophobicContact CD2-CD2 3.66Å; Y288-L312 HydrophobicContact CE2-CD2 3.81Å; Y288-L312 HydrophobicContact CG-CD2 4.3Å; Y288-F323 HydrophobicContact CD1-CB 3.97Å; Y288-F323 HydrophobicContact CD1-CD1 4.09Å; Y288-F323 HydrophobicContact CD1-CG 4.23Å; Y288-F323 HydrophobicContact CE1-CB 4.48Å; Y288-F323 HydrophobicContact CG-CB 4.43Å; Y288-F323 HydrophobicContact CG-CD1 4.33Å; Y288-F323 HydrophobicContact CG-CG 4.39Å; Y288-D324 WeakPolarHBondContact CE1-O 3.44Å; Y288-V325 WeakPolarHBondContact OH-CA 3.34Å; Y288-V325 PolarHBondContact OH-O 2.85Å; Y288-G329 CarbonylContact C-O 3.48Å; Y288-G329 WeakPolarHBondContact CA-O 3.31Å
289	I	97.1	Very high	94.8	Very high	58 Å²	58	53 Å²	53	30%	0.297	30%	0.298	S	S	.	.			trans	-107.7	102.7	-170.3	-56.1	176.3	0	0	0	108.6	P273 T287 I291 V297 G329 S330	P273-I289 HydrophobicContact CB-CG1 4.08Å; T287-I289 HydrophobicContact CG2-CG1 4.2Å; I289-I291 HydrophobicContact CG2-CG1 4.11Å; I289-I291 PolarHBondContact O-N 2.84Å; I289-V297 HydrophobicContact CG2-CG1 3.97Å; I289-V297 HydrophobicContact CG2-CG2 3.76Å; I289-G329 PolarHBondContact N-O 2.94Å; I289-S330 WeakPolarHBondContact O-CA 3.46Å
290	P	96.4	Very high	94.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.294	C	S	.	.			trans	-80.4	116.4	-179.6	-3.4	23.1	0	0	0	109.7	I274 Y288 V297 V298 F316 F323	I274-P290 HydrophobicContact CD1-CG 3.77Å; I274-P290 HydrophobicContact CG1-CG 4.06Å; Y288-P290 WeakPolarHBondContact O-CD 3.26Å; P290-V297 WeakPolarHBondContact O-CA 3.24Å; P290-V298 HydrophobicContact CB-CG2 4.2Å; P290-V298 WeakPolarHBondContact CB-O 3.47Å; P290-V298 WeakPolarHBondContact CD-O 3.47Å; P290-V298 WeakPolarHBondContact CG-O 3.5Å; P290-V298 PolarHBondContact O-N 2.87Å; P290-F316 HydrophobicContact CB-CE1 3.79Å; P290-F316 HydrophobicContact CB-CE2 4.31Å; P290-F316 HydrophobicContact CB-CZ 3.34Å; P290-F316 HydrophobicContact CG-CE1 4.24Å; P290-F316 HydrophobicContact CG-CZ 3.83Å; P290-F323 HydrophobicContact CB-CE2 4.46Å; P290-F323 HydrophobicContact CB-CZ 3.88Å; P290-F323 HydrophobicContact CG-CZ 4.11Å
291	I	95.5	Very high	95.1	Very high	64 Å²	64	48.9 Å²	48.9	33%	0.328	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-105.6	129.6	-179.9	-56.3	-179.7	0	0	0	109.1	I289 E296 Q321	I289-I291 HydrophobicContact CG2-CG1 4.11Å; I289-I291 PolarHBondContact O-N 2.84Å; I291-E296 WeakPolarHBondContact CA-O 3.42Å; I291-Q321 PolarHBondContact O-NE2 3.26Å
292	N	92.7	Very high	95.3	Very high	22 Å²	22	45 Å²	45	12%	0.118	26%	0.258	C	S	.	.			trans	-81.3	177	176.8	76.3	11.4	0	0	0	111.6	L294 G295 E296 V298	N292-L294 PolarHBondContact O-N 3.47Å; N292-L294 VanDerWaalsContact O-N 3.14Å; N292-L294 VanDerWaalsContact OD1-CA 3.3Å; N292-L294 WeakPolarHBondContact OD1-CA 3.38Å; N292-L294 WeakPolarHBondContact OD1-CB 3.34Å; N292-L294 PolarHBondContact OD1-N 2.95Å; N292-G295 PolarHBondContact O-N 2.96Å; N292-G295 VanDerWaalsContact O-N 3.09Å; N292-G295 PolarHBondContact OD1-N 2.92Å; N292-G295 VanDerWaalsContact OD1-N 3.14Å; N292-E296 PolarHBondContact N-O 2.99Å; N292-E296 PolarHBondContact ND2-OE2 3.45Å; N292-E296 PolarHBondContact OD1-N 3.45Å; N292-V298 HydrophobicContact CB-CG1 3.88Å; N292-V298 HydrophobicContact CB-CG2 4.12Å
293	H	89.6	Confident	95.5	Very high	114 Å²	114	44.5 Å²	44.5	53%	0.528	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.2	176.8	64.8	-57.6	0	0	0	115.6	L338	H293-L338 HydrophobicContact CB-CD1 3.89Å; H293-L338 HydrophobicContact CB-CD2 4.02Å
294	L	93	Very high	95.6	Very high	114 Å²	114	41.2 Å²	41.2	60%	0.597	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	2.2	177	-56.5	174.5	0	0	0	112.1	N292 E296	N292-L294 PolarHBondContact O-N 3.47Å; N292-L294 VanDerWaalsContact O-N 3.14Å; N292-L294 VanDerWaalsContact OD1-CA 3.3Å; N292-L294 WeakPolarHBondContact OD1-CA 3.38Å; N292-L294 WeakPolarHBondContact OD1-CB 3.34Å; N292-L294 PolarHBondContact OD1-N 2.95Å; L294-E296 VanDerWaalsContact C-N 3.31Å; L294-E296 HydrophobicContact CB-CG 4.13Å
295	G	91	Very high	95.6	Very high	57 Å²	57	39.4 Å²	39.4	59%	0.588	22%	0.222	S	C	*	.	S	Bend	trans	81.6	7	-176.7	0	0	0	0	0	114.3	N292	N292-G295 PolarHBondContact O-N 2.96Å; N292-G295 VanDerWaalsContact O-N 3.09Å; N292-G295 PolarHBondContact OD1-N 2.92Å; N292-G295 VanDerWaalsContact OD1-N 3.14Å
296	E	93.6	Very high	95.7	Very high	109 Å²	109	37.3 Å²	37.3	51%	0.509	22%	0.215	S	C	.	.			trans	-90.7	144.3	-178	-51.2	168	141.6	0	0	111.2	I291 N292 L294 V298	I291-E296 WeakPolarHBondContact CA-O 3.42Å; N292-E296 PolarHBondContact N-O 2.99Å; N292-E296 PolarHBondContact ND2-OE2 3.45Å; N292-E296 PolarHBondContact OD1-N 3.45Å; L294-E296 VanDerWaalsContact C-N 3.31Å; L294-E296 HydrophobicContact CB-CG 4.13Å; E296-V298 PolarHBondContact O-N 3.11Å
297	V	94.2	Very high	95.6	Very high	84 Å²	84	37.9 Å²	37.9	51%	0.509	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-74.6	123.1	172.3	-177.3	0	0	0	0	109.4	I289 P290	I289-V297 HydrophobicContact CG2-CG1 3.97Å; I289-V297 HydrophobicContact CG2-CG2 3.76Å; P290-V297 WeakPolarHBondContact O-CA 3.24Å
298	V	95.5	Very high	95.3	Very high	32 Å²	32	37.8 Å²	37.8	19%	0.194	22%	0.217	C	C	.	.			trans	-118.9	148.1	-180	-68.9	0	0	0	0	110.8	P290 N292 E296 F316	P290-V298 HydrophobicContact CB-CG2 4.2Å; P290-V298 WeakPolarHBondContact CB-O 3.47Å; P290-V298 WeakPolarHBondContact CD-O 3.47Å; P290-V298 WeakPolarHBondContact CG-O 3.5Å; P290-V298 PolarHBondContact O-N 2.87Å; N292-V298 HydrophobicContact CB-CG1 3.88Å; N292-V298 HydrophobicContact CB-CG2 4.12Å; E296-V298 PolarHBondContact O-N 3.11Å; V298-F316 HydrophobicContact CB-CD1 4.41Å; V298-F316 HydrophobicContact CB-CE1 4.33Å; V298-F316 HydrophobicContact CG2-CD1 3.83Å; V298-F316 HydrophobicContact CG2-CE1 3.64Å
299	S	96.3	Very high	95.1	Very high	24 Å²	24	37.8 Å²	37.8	17%	0.168	22%	0.217	C	C	.	.			trans	-92.8	139.6	177.8	-58.4	0	0	0	0	111.6	S269 R271 N272	S269-S299 VanDerWaalsContact O-CB 3.31Å; S269-S299 WeakPolarHBondContact O-CB 3.46Å; S269-S299 PolarHBondContact O-OG 3.29Å; R271-S299 WeakPolarHBondContact CA-OG 3.45Å; R271-S299 PolarHBondContact N-OG 3.2Å; N272-S299 PolarHBondContact N-OG 3.05Å; N272-S299 PolarHBondContact O-OG 2.8Å
300	A	97.5	Very high	95	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.			trans	-74.1	139.8	176.6	0	0	0	0	0	110.6	Y247 S268 I274 L303 A314 G315 F316	Y247-A300 WeakPolarHBondContact CD2-O 3.31Å; S268-A300 PolarHBondContact OG-N 3.42Å; S268-A300 PolarHBondContact OG-O 3.1Å; I274-A300 HydrophobicContact CD1-CB 4.07Å; I274-A300 HydrophobicContact CG1-CB 4.29Å; A300-L303 HydrophobicContact CB-CD2 3.99Å; A300-A314 HydrophobicContact CB-CB 3.85Å; A300-G315 CarbonylContact C-O 3.58Å; A300-G315 WeakPolarHBondContact CA-O 3.15Å; A300-F316 HydrophobicContact CB-CE1 4Å; A300-F316 HydrophobicContact CB-CZ 3.84Å
301	S	97.3	Very high	95	Very high	27 Å²	27	43.3 Å²	43.3	19%	0.189	24%	0.237	C	C	.	.	S	Bend	trans	-86.4	-19.4	175.9	-63.6	0	0	0	0	112.9	G315 I347 I348	S301-G315 PolarHBondContact N-O 2.84Å; S301-I347 VanDerWaalsContact OG-CG2 3.3Å; S301-I347 WeakPolarHBondContact OG-CG2 3.36Å; S301-I348 VanDerWaalsContact CB-O 3.29Å; S301-I348 WeakPolarHBondContact CB-O 3.38Å
302	S	97.5	Very high	95.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	150.1	178.1	61.8	0	0	0	0	111.2	D248 G315 I348 I351	D248-S302 WeakPolarHBondContact OD2-CA 3.43Å; S302-G315 PolarHBondContact O-N 3.4Å; S302-G315 WeakPolarHBondContact OG-CA 3.19Å; S302-I348 PolarHBondContact OG-O 3.24Å; S302-I351 WeakPolarHBondContact OG-CD1 3.3Å; S302-I351 WeakPolarHBondContact OG-CG1 3.42Å
303	L	97.8	Very high	95.4	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.5	178.5	-67.8	178.7	0	0	0	111.2	D248 A266 S268 I274 A300 L312 Y313 A314	D248-L303 PolarHBondContact OD2-N 2.86Å; A266-L303 HydrophobicContact CB-CD1 4.17Å; S268-L303 VanDerWaalsContact N-CD1 3.31Å; I274-L303 HydrophobicContact CD1-CD2 3.77Å; I274-L303 HydrophobicContact CG1-CD2 4.07Å; I274-L303 HydrophobicContact CG2-CD1 3.93Å; I274-L303 HydrophobicContact CG2-CD2 4Å; A300-L303 HydrophobicContact CB-CD2 3.99Å; L303-L312 HydrophobicContact CD2-CD1 4.46Å; L303-Y313 WeakPolarHBondContact CA-O 3.45Å; L303-A314 HydrophobicContact CD2-CB 4.08Å
304	S	97.8	Very high	95.8	Very high	18 Å²	18	34 Å²	34	13%	0.126	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	140.6	165.7	-173.6	0	0	0	0	109.9	Y313 V353	S304-Y313 PolarHBondContact N-O 2.86Å; S304-Y313 WeakPolarHBondContact O-CA 3.38Å; S304-Y313 WeakPolarHBondContact O-CB 3.45Å; S304-Y313 WeakPolarHBondContact O-CD2 3.28Å; S304-Y313 PolarHBondContact O-N 3.18Å; S304-V353 VanDerWaalsContact OG-CG2 3.28Å; S304-V353 WeakPolarHBondContact OG-CG2 3.47Å
305	F	97.8	Very high	96	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.035	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	154.8	166.3	-69	-84.4	0	0	0	110.7	W251 Y252 P253 A266 L276 R311 L312 V325 V353	W251-F305 VanDerWaalsContact O-CD2 3.24Å; W251-F305 WeakPolarHBondContact O-CD2 3.46Å; Y252-F305 HydrophobicContact CD2-CD1 4.1Å; Y252-F305 HydrophobicContact CD2-CE1 4.04Å; Y252-F305 HydrophobicContact CD2-CG 4.46Å; Y252-F305 HydrophobicContact CD2-CZ 4.35Å; P253-F305 HydrophobicContact CG-CB 3.91Å; A266-F305 HydrophobicContact CB-CE2 3.71Å; A266-F305 HydrophobicContact CB-CZ 3.67Å; L276-F305 HydrophobicContact CD1-CE1 4.36Å; L276-F305 HydrophobicContact CD1-CZ 3.72Å; F305-R311 CarbonylContact C-O 3.39Å; F305-R311 WeakPolarHBondContact CA-O 3.46Å; F305-L312 HydrophobicContact CD1-CB 4.37Å; F305-L312 HydrophobicContact CD1-CD1 4.01Å; F305-L312 HydrophobicContact CD2-CD1 4.35Å; F305-L312 HydrophobicContact CE1-CB 4.36Å; F305-L312 HydrophobicContact CE1-CD1 3.91Å; F305-L312 HydrophobicContact CE2-CD1 4.26Å; F305-L312 HydrophobicContact CG-CD1 4.25Å; F305-L312 HydrophobicContact CZ-CD1 4.05Å; F305-V325 HydrophobicContact CD1-CG2 3.83Å; F305-V325 HydrophobicContact CE1-CG1 4.45Å; F305-V325 HydrophobicContact CE1-CG2 3.75Å; F305-V353 WeakPolarHBondContact O-CG2 3.39Å
306	S	96.2	Very high	96.3	Very high	2 Å²	2	26 Å²	26	1%	0.014	14%	0.136	C	C	.	.			trans	-64.7	157.1	161.7	56.7	0	0	0	0	110.6	P253 N308 G309 Q310 R311	P253-S306 WeakPolarHBondContact CG-O 3.48Å; S306-N308 WeakPolarHBondContact CB-OD1 3.39Å; S306-N308 PolarHBondContact O-N 2.81Å; S306-N308 VanDerWaalsContact O-N 3.17Å; S306-N308 PolarHBondContact OG-OD1 2.8Å; S306-G309 WeakPolarHBondContact O-CA 3.18Å; S306-G309 PolarHBondContact O-N 3.23Å; S306-Q310 PolarHBondContact OG-N 3.29Å; S306-R311 PolarHBondContact N-O 3.18Å; S306-R311 PolarHBondContact OG-N 2.9Å; S306-R311 PolarHBondContact OG-O 2.88Å
307	S	94.1	Very high	96.4	Very high	14 Å²	14	25.3 Å²	25.3	10%	0.098	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.6	-178	50	0	0	0	0	113.4	G309 L354	S307-G309 VanDerWaalsContact C-N 3.33Å; S307-L354 WeakPolarHBondContact CB-O 3.37Å
308	N	92.8	Very high	96.5	Very high	42 Å²	42	27.5 Å²	27.5	23%	0.225	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-0.6	175.1	68.7	-3.9	0	0	0	114.6	S306 Q310	S306-N308 WeakPolarHBondContact CB-OD1 3.39Å; S306-N308 PolarHBondContact O-N 2.81Å; S306-N308 VanDerWaalsContact O-N 3.17Å; S306-N308 PolarHBondContact OG-OD1 2.8Å; N308-Q310 VanDerWaalsContact ND2-CD 3.33Å; N308-Q310 PolarHBondContact ND2-OE1 2.81Å; N308-Q310 VanDerWaalsContact ND2-OE1 3.09Å; N308-Q310 PolarHBondContact O-N 3.12Å; N308-Q310 VanDerWaalsContact O-N 3.14Å; N308-Q310 PolarHBondContact OD1-N 3.39Å; N308-Q310 VanDerWaalsContact OD1-N 3.11Å
309	G	93.9	Very high	96.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	70.1	2.4	-179.4	0	0	0	0	0	116.1	Y252 S306 S307 V325	Y252-G309 WeakPolarHBondContact CE2-O 3.26Å; S306-G309 WeakPolarHBondContact O-CA 3.18Å; S306-G309 PolarHBondContact O-N 3.23Å; S307-G309 VanDerWaalsContact C-N 3.33Å; G309-V325 VanDerWaalsContact O-CG2 3.29Å; G309-V325 WeakPolarHBondContact O-CG2 3.25Å
310	Q	94.5	Very high	96.5	Very high	83 Å²	83	26.3 Å²	26.3	39%	0.388	12%	0.121	S	C	.	.	S	Bend	trans	-78.8	-23.6	-177	-66.5	179.5	-10.2	0	0	113.5	L45 S306 N308 V325	L45-Q310 HydrophobicContact CD1-CG 4.2Å; S306-Q310 PolarHBondContact OG-N 3.29Å; N308-Q310 VanDerWaalsContact ND2-CD 3.33Å; N308-Q310 PolarHBondContact ND2-OE1 2.81Å; N308-Q310 VanDerWaalsContact ND2-OE1 3.09Å; N308-Q310 PolarHBondContact O-N 3.12Å; N308-Q310 VanDerWaalsContact O-N 3.14Å; N308-Q310 PolarHBondContact OD1-N 3.39Å; N308-Q310 VanDerWaalsContact OD1-N 3.11Å; Q310-V325 PolarHBondContact O-N 3.43Å
311	R	96.1	Very high	96.5	Very high	91 Å²	91	26.6 Å²	26.6	34%	0.343	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	144.5	-176	-64	176.2	-179.8	145.6	14.7	110.7	F305 S306 Y313 V322 F323 E376	F305-R311 CarbonylContact C-O 3.39Å; F305-R311 WeakPolarHBondContact CA-O 3.46Å; S306-R311 PolarHBondContact N-O 3.18Å; S306-R311 PolarHBondContact OG-N 2.9Å; S306-R311 PolarHBondContact OG-O 2.88Å; R311-Y313 HydrophobicContact CB-CE1 4.49Å; R311-V322 HydrophobicContact CB-CG1 3.85Å; R311-V322 HydrophobicContact CG-CG1 4.12Å; R311-F323 CarbonylContact C-O 3.51Å; R311-F323 VanDerWaalsContact CA-O 3.27Å; R311-F323 WeakPolarHBondContact CA-O 3.16Å; R311-E376 IonicContact CZ-OE2 3.32Å; R311-E376 VanDerWaalsContact NH1-CD 3.28Å; R311-E376 IonicContact NH1-OE2 3.65Å; R311-E376 PolarHBondContact NH1-OE2 3.15Å
312	L	98	Very high	96.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.1	171.8	178.4	63.6	0	0	0	109.3	A266 I274 Y288 L303 F305 V322 F323 V325	A266-L312 HydrophobicContact CB-CD1 4.28Å; I274-L312 HydrophobicContact CG2-CD2 3.85Å; Y288-L312 HydrophobicContact CD2-CD2 3.66Å; Y288-L312 HydrophobicContact CE2-CD2 3.81Å; Y288-L312 HydrophobicContact CG-CD2 4.3Å; L303-L312 HydrophobicContact CD2-CD1 4.46Å; F305-L312 HydrophobicContact CD1-CB 4.37Å; F305-L312 HydrophobicContact CD1-CD1 4.01Å; F305-L312 HydrophobicContact CD2-CD1 4.35Å; F305-L312 HydrophobicContact CE1-CB 4.36Å; F305-L312 HydrophobicContact CE1-CD1 3.91Å; F305-L312 HydrophobicContact CE2-CD1 4.26Å; F305-L312 HydrophobicContact CG-CD1 4.25Å; F305-L312 HydrophobicContact CZ-CD1 4.05Å; L312-V322 WeakPolarHBondContact O-CA 3.41Å; L312-F323 HydrophobicContact CB-CB 4.29Å; L312-F323 PolarHBondContact N-O 2.95Å; L312-F323 PolarHBondContact O-N 2.77Å; L312-V325 HydrophobicContact CB-CG2 4.07Å
313	Y	98.2	Very high	96.6	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.012	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.7	175.4	-54.5	-62.2	0	0	0	110.3	L303 S304 R311 V322 V353 Y362 E376	L303-Y313 WeakPolarHBondContact CA-O 3.45Å; S304-Y313 PolarHBondContact N-O 2.86Å; S304-Y313 WeakPolarHBondContact O-CA 3.38Å; S304-Y313 WeakPolarHBondContact O-CB 3.45Å; S304-Y313 WeakPolarHBondContact O-CD2 3.28Å; S304-Y313 PolarHBondContact O-N 3.18Å; R311-Y313 HydrophobicContact CB-CE1 4.49Å; Y313-V322 HydrophobicContact CD1-CB 4.32Å; Y313-V322 HydrophobicContact CD1-CG1 3.84Å; Y313-V322 HydrophobicContact CD1-CG2 3.71Å; Y313-V322 HydrophobicContact CE1-CG1 3.79Å; Y313-V322 HydrophobicContact CE1-CG2 4.03Å; Y313-V353 HydrophobicContact CD2-CG2 3.93Å; Y313-V353 HydrophobicContact CE2-CG2 3.87Å; Y313-Y362 HydrophobicContact CE1-CD1 4.46Å; Y313-Y362 HydrophobicContact CE1-CE1 4.39Å; Y313-E376 WeakPolarHBondContact CE1-OE1 3.11Å; Y313-E376 VanDerWaalsContact OH-CD 3.29Å; Y313-E376 PolarHBondContact OH-OE1 2.95Å
314	A	98.2	Very high	96.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.3	176.9	0	0	0	0	0	110.2	I274 A300 L303 F316 I320 Q321 F323	I274-A314 HydrophobicContact CD1-CB 3.66Å; A300-A314 HydrophobicContact CB-CB 3.85Å; L303-A314 HydrophobicContact CD2-CB 4.08Å; A314-F316 HydrophobicContact CB-CE2 3.58Å; A314-F316 HydrophobicContact CB-CZ 3.87Å; A314-F316 VanDerWaalsContact O-CD2 3.31Å; A314-F316 WeakPolarHBondContact O-CD2 3.34Å; A314-F316 VanDerWaalsContact O-CE2 3.26Å; A314-F316 WeakPolarHBondContact O-CE2 3.31Å; A314-I320 CarbonylContact O-C 3.59Å; A314-I320 WeakPolarHBondContact O-CA 3.27Å; A314-I320 WeakPolarHBondContact O-CB 3.2Å; A314-Q321 PolarHBondContact N-O 2.89Å; A314-Q321 PolarHBondContact O-N 3.03Å; A314-F323 HydrophobicContact CB-CD2 4.3Å; A314-F323 HydrophobicContact CB-CE2 3.91Å
315	G	97.7	Very high	96.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	135.3	-178.8	0	0	0	0	0	113.1	A300 S301 S302	A300-G315 CarbonylContact C-O 3.58Å; A300-G315 WeakPolarHBondContact CA-O 3.15Å; S301-G315 PolarHBondContact N-O 2.84Å; S302-G315 PolarHBondContact O-N 3.4Å; S302-G315 WeakPolarHBondContact OG-CA 3.19Å
316	F	97.1	Very high	96.3	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.022	13%	0.133	C	C	.	.			trans	-130.8	-167.7	179.1	-60.1	-85.3	0	0	0	111.4	P290 V298 A300 A314 R318 Y319 Q321 I348	P290-F316 HydrophobicContact CB-CE1 3.79Å; P290-F316 HydrophobicContact CB-CE2 4.31Å; P290-F316 HydrophobicContact CB-CZ 3.34Å; P290-F316 HydrophobicContact CG-CE1 4.24Å; P290-F316 HydrophobicContact CG-CZ 3.83Å; V298-F316 HydrophobicContact CB-CD1 4.41Å; V298-F316 HydrophobicContact CB-CE1 4.33Å; V298-F316 HydrophobicContact CG2-CD1 3.83Å; V298-F316 HydrophobicContact CG2-CE1 3.64Å; A300-F316 HydrophobicContact CB-CE1 4Å; A300-F316 HydrophobicContact CB-CZ 3.84Å; A314-F316 HydrophobicContact CB-CE2 3.58Å; A314-F316 HydrophobicContact CB-CZ 3.87Å; A314-F316 VanDerWaalsContact O-CD2 3.31Å; A314-F316 WeakPolarHBondContact O-CD2 3.34Å; A314-F316 VanDerWaalsContact O-CE2 3.26Å; A314-F316 WeakPolarHBondContact O-CE2 3.31Å; F316-R318 PolarHBondContact O-N 2.83Å; F316-Y319 CarbonylContact C-O 3.58Å; F316-Y319 WeakPolarHBondContact CA-O 3.33Å; F316-Y319 HydrophobicContact CB-CD1 4.19Å; F316-Y319 HydrophobicContact CB-CD2 4.04Å; F316-Y319 HydrophobicContact CB-CE1 3.79Å; F316-Y319 HydrophobicContact CB-CE2 3.63Å; F316-Y319 HydrophobicContact CB-CG 4.3Å; F316-Y319 VanDerWaalsContact CB-CZ 3.48Å; F316-Y319 AromaticContact CD2-CD2 3.95Å; F316-Y319 HydrophobicContact CD2-CD2 3.95Å; F316-Y319 AromaticContact CD2-CE2 3.49Å; F316-Y319 HydrophobicContact CD2-CE2 3.49Å; F316-Y319 VanDerWaalsContact CD2-CE2 3.49Å; F316-Y319 HydrophobicContact CE2-CE2 4.35Å; F316-Y319 HydrophobicContact CG-CD2 4.3Å; F316-Y319 AromaticContact CG-CE2 3.62Å; F316-Y319 HydrophobicContact CG-CE2 3.62Å; F316-Y319 AromaticContact CG-CZ 3.76Å; F316-Y319 PolarHBondContact N-O 3.05Å; F316-Q321 HydrophobicContact CD2-CB 4.46Å; F316-Q321 HydrophobicContact CD2-CG 4.34Å; F316-Q321 HydrophobicContact CE2-CB 3.82Å; F316-Q321 HydrophobicContact CE2-CG 4Å; F316-I348 WeakPolarHBondContact O-CG1 3.38Å; F316-I348 PolarHBondContact O-N 3.37Å
317	H	96	Very high	96.3	Very high	93 Å²	93	34.6 Å²	34.6	43%	0.431	16%	0.155	S	C	.	.	B	Isolated β-bridge	trans	-73.8	104.9	173.1	-167	71.7	0	0	0	111.1	Y319 G346 I347	H317-Y319 VanDerWaalsContact C-N 3.3Å; H317-Y319 WeakPolarHBondContact O-CD1 3.41Å; H317-Y319 WeakPolarHBondContact O-CE1 3.23Å; H317-Y319 PolarHBondContact O-N 2.81Å; H317-G346 CarbonylContact C-O 3.48Å; H317-I347 HydrophobicContact CB-CG1 4.47Å; H317-I347 VanDerWaalsContact ND1-CG1 3.34Å; H317-I347 WeakPolarHBondContact ND1-CG1 3.41Å
318	R	95.5	Very high	96.3	Very high	130 Å²	130	36.9 Å²	36.9	49%	0.491	17%	0.17	S	C	.	.	S	Bend	trans	70.8	7.8	176.5	-45.9	177.7	-165.7	-173	2.5	116.7	F316 P342 Q344 G346	F316-R318 PolarHBondContact O-N 2.83Å; R318-P342 HydrophobicContact CB-CB 3.92Å; R318-Q344 WeakPolarHBondContact CA-O 3.46Å; R318-G346 PolarHBondContact N-O 3.14Å
319	Y	96	Very high	96.4	Very high	24 Å²	24	36 Å²	36	9%	0.094	17%	0.17	C	C	.	.			trans	-152.2	165.8	176.3	67.1	-86.7	0	0	0	110.6	F316 H317 Q321 R334 R335	F316-Y319 CarbonylContact C-O 3.58Å; F316-Y319 WeakPolarHBondContact CA-O 3.33Å; F316-Y319 HydrophobicContact CB-CD1 4.19Å; F316-Y319 HydrophobicContact CB-CD2 4.04Å; F316-Y319 HydrophobicContact CB-CE1 3.79Å; F316-Y319 HydrophobicContact CB-CE2 3.63Å; F316-Y319 HydrophobicContact CB-CG 4.3Å; F316-Y319 VanDerWaalsContact CB-CZ 3.48Å; F316-Y319 AromaticContact CD2-CD2 3.95Å; F316-Y319 HydrophobicContact CD2-CD2 3.95Å; F316-Y319 AromaticContact CD2-CE2 3.49Å; F316-Y319 HydrophobicContact CD2-CE2 3.49Å; F316-Y319 VanDerWaalsContact CD2-CE2 3.49Å; F316-Y319 HydrophobicContact CE2-CE2 4.35Å; F316-Y319 HydrophobicContact CG-CD2 4.3Å; F316-Y319 AromaticContact CG-CE2 3.62Å; F316-Y319 HydrophobicContact CG-CE2 3.62Å; F316-Y319 AromaticContact CG-CZ 3.76Å; F316-Y319 PolarHBondContact N-O 3.05Å; H317-Y319 VanDerWaalsContact C-N 3.3Å; H317-Y319 WeakPolarHBondContact O-CD1 3.41Å; H317-Y319 WeakPolarHBondContact O-CE1 3.23Å; H317-Y319 PolarHBondContact O-N 2.81Å; Y319-Q321 HydrophobicContact CD2-CG 4.21Å; Y319-Q321 HydrophobicContact CE2-CG 3.95Å; Y319-R334 VanDerWaalsContact CD1-NH2 3.33Å; Y319-R334 HydrophobicContact CD2-CG 3.83Å; Y319-R334 HydrophobicContact CE2-CG 4.46Å; Y319-R334 HydrophobicContact CG-CG 4.35Å; Y319-R335 WeakPolarHBondContact CA-O 3.24Å; Y319-R335 WeakPolarHBondContact CB-O 3.28Å
320	I	97.1	Very high	96.5	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.041	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	153.1	167.3	68.2	175.1	0	0	0	109.5	A314 V322 R335 I348 Y362 T364	A314-I320 CarbonylContact O-C 3.59Å; A314-I320 WeakPolarHBondContact O-CA 3.27Å; A314-I320 WeakPolarHBondContact O-CB 3.2Å; I320-V322 HydrophobicContact CD1-CG2 4.24Å; I320-V322 HydrophobicContact CG1-CG2 4.45Å; I320-R335 HydrophobicContact CD1-CB 4.31Å; I320-R335 HydrophobicContact CG1-CB 3.77Å; I320-R335 PolarHBondContact N-O 2.99Å; I320-R335 PolarHBondContact O-N 3.27Å; I320-I348 HydrophobicContact CG2-CG1 4.22Å; I320-I348 HydrophobicContact CG2-CG2 4.37Å; I320-Y362 HydrophobicContact CD1-CE2 3.58Å; I320-T364 HydrophobicContact CG2-CG2 4.33Å
321	Q	97.2	Very high	96.5	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.023	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	141.5	162.9	-71.4	175.2	-22.5	0	0	108.9	I291 A314 F316 Y319 F323 V333 R334	I291-Q321 PolarHBondContact O-NE2 3.26Å; A314-Q321 PolarHBondContact N-O 2.89Å; A314-Q321 PolarHBondContact O-N 3.03Å; F316-Q321 HydrophobicContact CD2-CB 4.46Å; F316-Q321 HydrophobicContact CD2-CG 4.34Å; F316-Q321 HydrophobicContact CE2-CB 3.82Å; F316-Q321 HydrophobicContact CE2-CG 4Å; Y319-Q321 HydrophobicContact CD2-CG 4.21Å; Y319-Q321 HydrophobicContact CE2-CG 3.95Å; Q321-F323 HydrophobicContact CB-CE2 3.82Å; Q321-F323 HydrophobicContact CB-CZ 4.25Å; Q321-V333 WeakPolarHBondContact CA-O 3.5Å; Q321-R334 HydrophobicContact CG-CB 4.37Å; Q321-R334 HydrophobicContact CG-CG 4.49Å
322	V	97.8	Very high	96.4	Very high	8 Å²	8	38.5 Å²	38.5	5%	0.048	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118	179.5	-171.1	0	0	0	0	107.5	R311 L312 Y313 I320 S332 V333 R335	R311-V322 HydrophobicContact CB-CG1 3.85Å; R311-V322 HydrophobicContact CG-CG1 4.12Å; L312-V322 WeakPolarHBondContact O-CA 3.41Å; Y313-V322 HydrophobicContact CD1-CB 4.32Å; Y313-V322 HydrophobicContact CD1-CG1 3.84Å; Y313-V322 HydrophobicContact CD1-CG2 3.71Å; Y313-V322 HydrophobicContact CE1-CG1 3.79Å; Y313-V322 HydrophobicContact CE1-CG2 4.03Å; I320-V322 HydrophobicContact CD1-CG2 4.24Å; I320-V322 HydrophobicContact CG1-CG2 4.45Å; V322-S332 WeakPolarHBondContact O-CA 3.44Å; V322-V333 PolarHBondContact N-O 3.02Å; V322-V333 PolarHBondContact O-N 3.34Å; V322-R335 HydrophobicContact CG2-CG 4.36Å
323	F	97.8	Very high	96.3	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	148.8	175.9	-62.2	-94.7	0	0	0	109.2	I274 Y288 P290 R311 L312 A314 Q321 E331 S332	I274-F323 HydrophobicContact CD1-CE2 4.05Å; Y288-F323 HydrophobicContact CD1-CB 3.97Å; Y288-F323 HydrophobicContact CD1-CD1 4.09Å; Y288-F323 HydrophobicContact CD1-CG 4.23Å; Y288-F323 HydrophobicContact CE1-CB 4.48Å; Y288-F323 HydrophobicContact CG-CB 4.43Å; Y288-F323 HydrophobicContact CG-CD1 4.33Å; Y288-F323 HydrophobicContact CG-CG 4.39Å; P290-F323 HydrophobicContact CB-CE2 4.46Å; P290-F323 HydrophobicContact CB-CZ 3.88Å; P290-F323 HydrophobicContact CG-CZ 4.11Å; R311-F323 CarbonylContact C-O 3.51Å; R311-F323 VanDerWaalsContact CA-O 3.27Å; R311-F323 WeakPolarHBondContact CA-O 3.16Å; L312-F323 HydrophobicContact CB-CB 4.29Å; L312-F323 PolarHBondContact N-O 2.95Å; L312-F323 PolarHBondContact O-N 2.77Å; A314-F323 HydrophobicContact CB-CD2 4.3Å; A314-F323 HydrophobicContact CB-CE2 3.91Å; Q321-F323 HydrophobicContact CB-CE2 3.82Å; Q321-F323 HydrophobicContact CB-CZ 4.25Å; F323-E331 WeakPolarHBondContact CD1-O 3.43Å; F323-S332 VanDerWaalsContact CE1-CB 3.45Å
324	D	96.9	Very high	96.2	Very high	45 Å²	45	45.3 Å²	45.3	24%	0.241	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124.1	167.3	-175.4	-19.8	0	0	0	107.8	Y288 S326 R327	Y288-D324 WeakPolarHBondContact CE1-O 3.44Å; D324-S326 PolarHBondContact O-N 2.78Å; D324-S326 WeakPolarHBondContact OD1-CB 3.2Å; D324-S326 PolarHBondContact OD1-N 2.82Å; D324-S326 PolarHBondContact OD1-OG 2.93Å; D324-S326 PolarHBondContact OD2-OG 3.45Å; D324-R327 HydrophobicContact CB-CB 4.35Å; D324-R327 PolarHBondContact O-N 2.85Å; D324-R327 VanDerWaalsContact O-N 3.1Å; D324-R327 IonicContact OD2-CZ 3.88Å; D324-R327 IonicContact OD2-NE 3.93Å; D324-R327 PolarHBondContact OD2-NE 3.16Å; D324-R327 IonicContact OD2-NH2 3.34Å; D324-R327 PolarHBondContact OD2-NH2 2.89Å
325	V	96.3	Very high	96	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-31.4	-176.1	175.8	0	0	0	0	110.9	L45 Y288 F305 G309 Q310 L312 R327	L45-V325 HydrophobicContact CD2-CB 4.48Å; L45-V325 HydrophobicContact CD2-CG1 4.36Å; Y288-V325 WeakPolarHBondContact OH-CA 3.34Å; Y288-V325 PolarHBondContact OH-O 2.85Å; F305-V325 HydrophobicContact CD1-CG2 3.83Å; F305-V325 HydrophobicContact CE1-CG1 4.45Å; F305-V325 HydrophobicContact CE1-CG2 3.75Å; G309-V325 VanDerWaalsContact O-CG2 3.29Å; G309-V325 WeakPolarHBondContact O-CG2 3.25Å; Q310-V325 PolarHBondContact O-N 3.43Å; L312-V325 HydrophobicContact CB-CG2 4.07Å; V325-R327 PolarHBondContact O-N 2.89Å
326	S	95.2	Very high	95.8	Very high	44 Å²	44	48 Å²	48	31%	0.308	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-14	178.9	68.9	0	0	0	0	114.4	D324 P328	D324-S326 PolarHBondContact O-N 2.78Å; D324-S326 WeakPolarHBondContact OD1-CB 3.2Å; D324-S326 PolarHBondContact OD1-N 2.82Å; D324-S326 PolarHBondContact OD1-OG 2.93Å; D324-S326 PolarHBondContact OD2-OG 3.45Å; S326-P328 WeakPolarHBondContact O-CD 3.48Å
327	R	95.2	Very high	95.6	Very high	130 Å²	130	55.5 Å²	55.5	49%	0.491	28%	0.278	S	S	.	.	S	Bend	trans	-124.5	86.5	-175.5	-70.3	-176.9	-75.1	171.1	-11.3	111.2	D324 V325 E331	D324-R327 HydrophobicContact CB-CB 4.35Å; D324-R327 PolarHBondContact O-N 2.85Å; D324-R327 VanDerWaalsContact O-N 3.1Å; D324-R327 IonicContact OD2-CZ 3.88Å; D324-R327 IonicContact OD2-NE 3.93Å; D324-R327 PolarHBondContact OD2-NE 3.16Å; D324-R327 IonicContact OD2-NH2 3.34Å; D324-R327 PolarHBondContact OD2-NH2 2.89Å; V325-R327 PolarHBondContact O-N 2.89Å; R327-E331 IonicContact CZ-OE2 2.79Å; R327-E331 IonicContact NH1-OE2 3.01Å; R327-E331 PolarHBondContact NH1-OE2 2.89Å; R327-E331 VanDerWaalsContact NH1-OE2 3.15Å
328	P	95.5	Very high	95.3	Very high	61 Å²	61	56.6 Å²	56.6	40%	0.396	29%	0.287	S	S	.	.			trans	-58.7	155.8	170.1	-20.8	33.1	0	0	0	111.7	L49 A286 S326	L49-P328 HydrophobicContact CD2-CG 3.5Å; L49-P328 VanDerWaalsContact CD2-CG 3.5Å; A286-P328 HydrophobicContact CB-CB 3.97Å; A286-P328 HydrophobicContact CB-CG 3.66Å; S326-P328 WeakPolarHBondContact O-CD 3.48Å
329	G	95.2	Very high	95	Very high	23 Å²	23	54.3 Å²	54.3	24%	0.237	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	116.6	-153	-179.9	0	0	0	0	0	113.2	T287 Y288 I289	T287-G329 PolarHBondContact O-N 3.03Å; Y288-G329 CarbonylContact C-O 3.48Å; Y288-G329 WeakPolarHBondContact CA-O 3.31Å; I289-G329 PolarHBondContact N-O 2.94Å
330	S	94.1	Very high	94.8	Very high	61 Å²	61	60.4 Å²	60.4	43%	0.427	33%	0.331	S	S	.	.	S	Bend	trans	-96.5	-6.5	-172.2	55.7	0	0	0	0	114.8	I289 S332	I289-S330 WeakPolarHBondContact O-CA 3.46Å; S330-S332 PolarHBondContact O-N 3.4Å
331	E	94.6	Very high	94.5	Very high	124 Å²	124	68.8 Å²	68.8	58%	0.579	37%	0.367	S	S	*	.			trans	-65.5	118.5	179.3	-67.8	-163.6	166.2	0	0	110.6	F323 R327	F323-E331 WeakPolarHBondContact CD1-O 3.43Å; R327-E331 IonicContact CZ-OE2 2.79Å; R327-E331 IonicContact NH1-OE2 3.01Å; R327-E331 PolarHBondContact NH1-OE2 2.89Å; R327-E331 VanDerWaalsContact NH1-OE2 3.15Å
332	S	95.4	Very high	94.2	Very high	42 Å²	42	71 Å²	71	29%	0.294	38%	0.382	S	S	.	.			trans	-152.2	155.3	179	64.4	0	0	0	0	112.4	V322 F323 S330	V322-S332 WeakPolarHBondContact O-CA 3.44Å; F323-S332 VanDerWaalsContact CE1-CB 3.45Å; S330-S332 PolarHBondContact O-N 3.4Å
333	V	96	Very high	93.9	Very high	85 Å²	85	73.2 Å²	73.2	52%	0.515	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113.4	174.2	-178.4	0	0	0	0	109.3	Q321 V322 R335	Q321-V333 WeakPolarHBondContact CA-O 3.5Å; V322-V333 PolarHBondContact N-O 3.02Å; V322-V333 PolarHBondContact O-N 3.34Å; V333-R335 HydrophobicContact CG1-CG 4.35Å
334	R	95.4	Very high	93.6	Very high	62 Å²	62	73.5 Å²	73.5	23%	0.234	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	132.7	175.5	-172.6	-177.6	172.6	153.3	-0.3	111.7	Y319 Q321 P336	Y319-R334 VanDerWaalsContact CD1-NH2 3.33Å; Y319-R334 HydrophobicContact CD2-CG 3.83Å; Y319-R334 HydrophobicContact CE2-CG 4.46Å; Y319-R334 HydrophobicContact CG-CG 4.35Å; Q321-R334 HydrophobicContact CG-CB 4.37Å; Q321-R334 HydrophobicContact CG-CG 4.49Å; R334-P336 CarbonylContact O-C 3.53Å
335	R	94.9	Very high	93.4	Very high	30 Å²	30	72.6 Å²	72.6	11%	0.113	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	121.2	178.4	-56.8	176.8	-176.7	179.4	-7.9	111.2	Y319 I320 V322 V333 Y362 E376 P377	Y319-R335 WeakPolarHBondContact CA-O 3.24Å; Y319-R335 WeakPolarHBondContact CB-O 3.28Å; I320-R335 HydrophobicContact CD1-CB 4.31Å; I320-R335 HydrophobicContact CG1-CB 3.77Å; I320-R335 PolarHBondContact N-O 2.99Å; I320-R335 PolarHBondContact O-N 3.27Å; V322-R335 HydrophobicContact CG2-CG 4.36Å; V333-R335 HydrophobicContact CG1-CG 4.35Å; R335-Y362 PolarHBondContact NH1-OH 3.21Å; R335-E376 IonicContact CZ-OE1 3.83Å; R335-E376 IonicContact CZ-OE2 2.76Å; R335-E376 IonicContact NH1-OE1 2.68Å; R335-E376 PolarHBondContact NH1-OE1 2.81Å; R335-E376 IonicContact NH1-OE2 3.87Å; R335-E376 PolarHBondContact NH1-OE2 3.29Å; R335-E376 IonicContact NH2-OE1 2.72Å; R335-E376 IonicContact NH2-OE2 3Å; R335-E376 PolarHBondContact NH2-OE2 2.65Å; R335-P377 WeakPolarHBondContact CD-O 3.49Å; R335-P377 VanDerWaalsContact CZ-C 3.46Å; R335-P377 PolarHBondContact NE-O 2.76Å; R335-P377 PolarHBondContact NH1-O 2.6Å; R335-P377 PolarHBondContact NH2-O 2.98Å
336	P	93.2	Very high	93.3	Very high	26 Å²	26	73.5 Å²	73.5	17%	0.169	41%	0.405	C	S	.	.	S	Bend	cis	-68.3	161.5	-6.9	31.3	-35	0	0	0	112	R334 K340 L343	R334-P336 CarbonylContact O-C 3.53Å; P336-K340 HydrophobicContact CB-CB 4.2Å; P336-L343 HydrophobicContact CB-CD1 4.48Å; P336-L343 HydrophobicContact CB-CG 4.49Å
337	K	92.1	Very high	93.4	Very high	162 Å²	162	74.4 Å²	74.4	70%	0.704	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-57.2	150.8	176	-65.5	-175.9	-179.5	-178	0	111	G339 K340	K337-G339 PolarHBondContact O-N 2.76Å; K337-K340 HydrophobicContact CB-CG 4.5Å; K337-K340 WeakPolarHBondContact O-CB 3.19Å; K337-K340 PolarHBondContact O-N 3.29Å; K337-K340 VanDerWaalsContact O-N 3.13Å
338	L	89.5	Confident	93.5	Very high	116 Å²	116	68.3 Å²	68.3	61%	0.607	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	137.8	177	-171.9	62.7	0	0	0	110.6	H293 K340	H293-L338 HydrophobicContact CB-CD1 3.89Å; H293-L338 HydrophobicContact CB-CD2 4.02Å; L338-K340 VanDerWaalsContact C-N 3.32Å; L338-K340 PolarHBondContact O-N 3.1Å
339	G	88.7	Confident	93.5	Very high	82 Å²	82	65.4 Å²	65.4	85%	0.845	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-12.3	-176.5	0	0	0	0	0	115.3	K337	K337-G339 PolarHBondContact O-N 2.76Å
340	K	91.8	Very high	93.6	Very high	153 Å²	153	64.8 Å²	64.8	67%	0.665	36%	0.356	S	S	*	.	S	Bend	trans	-85.8	148.4	171.4	-63.8	-66.2	-177.1	179.8	0	111	P336 K337 L338	P336-K340 HydrophobicContact CB-CB 4.2Å; K337-K340 HydrophobicContact CB-CG 4.5Å; K337-K340 WeakPolarHBondContact O-CB 3.19Å; K337-K340 PolarHBondContact O-N 3.29Å; K337-K340 VanDerWaalsContact O-N 3.13Å; L338-K340 VanDerWaalsContact C-N 3.32Å; L338-K340 PolarHBondContact O-N 3.1Å
341	K	91.9	Very high	93.8	Very high	183 Å²	183	62.6 Å²	62.6	80%	0.796	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-59.4	134	176.3	-172.3	177.4	-179.6	175.6	0	109.5	L343	K341-L343 PolarHBondContact O-N 3.32Å
342	P	91.7	Very high	93.9	Very high	53 Å²	53	57 Å²	57	34%	0.344	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-60.3	130.3	176.9	24.1	-33.7	0	0	0	110.8	R318 Q344	R318-P342 HydrophobicContact CB-CB 3.92Å; P342-Q344 PolarHBondContact O-N 3.04Å
343	L	90.6	Very high	94	Very high	54 Å²	54	56.4 Å²	56.4	28%	0.283	31%	0.309	S	S	.	.	S	Bend	trans	-74.2	-19.4	177.3	-61.9	172.8	0	0	0	112	P336 K341 F374 L380 R383	P336-L343 HydrophobicContact CB-CD1 4.48Å; P336-L343 HydrophobicContact CB-CG 4.49Å; K341-L343 PolarHBondContact O-N 3.32Å; L343-F374 HydrophobicContact CB-CE1 4.28Å; L343-F374 HydrophobicContact CB-CZ 4.3Å; L343-F374 HydrophobicContact CD1-CE1 3.7Å; L343-F374 HydrophobicContact CD1-CZ 4.39Å; L343-L380 HydrophobicContact CD1-CB 4.45Å; L343-L380 HydrophobicContact CD2-CD2 4.4Å; L343-R383 PolarHBondContact O-NE 2.92Å; L343-R383 PolarHBondContact O-NH2 3.15Å
344	Q	92.4	Very high	94	Very high	7 Å²	7	52.4 Å²	52.4	3%	0.033	29%	0.285	C	S	.	.	S	Bend	trans	-143.8	137.7	177.8	-161.7	175.2	8.7	0	0	109.3	R318 P342 I348 T364 T370 C372	R318-Q344 WeakPolarHBondContact CA-O 3.46Å; P342-Q344 PolarHBondContact O-N 3.04Å; Q344-I348 HydrophobicContact CB-CD1 4.28Å; Q344-I348 HydrophobicContact CG-CD1 4.16Å; Q344-T364 PolarHBondContact NE2-O 3.29Å; Q344-T364 PolarHBondContact OE1-OG1 3.4Å; Q344-T370 WeakPolarHBondContact CG-OG1 2.94Å; Q344-T370 PolarHBondContact NE2-O 3.34Å; Q344-T370 PolarHBondContact NE2-OG1 3.01Å; Q344-C372 HydrophobicContact CG-CB 4.5Å
345	G	91.8	Very high	93.7	Very high	26 Å²	26	55.8 Å²	55.8	27%	0.268	31%	0.308	S	S	.	.			trans	-86.3	173.3	174.9	0	0	0	0	0	112.2	S366 N368	G345-S366 WeakPolarHBondContact O-CB 3.44Å; G345-S366 PolarHBondContact O-OG 3.24Å; G345-N368 VanDerWaalsContact C-ND2 3.28Å; G345-N368 WeakPolarHBondContact CA-ND2 3.41Å; G345-N368 PolarHBondContact N-ND2 3.04Å; G345-N368 VanDerWaalsContact O-CG 3.31Å; G345-N368 PolarHBondContact O-ND2 3.43Å; G345-N368 VanDerWaalsContact O-ND2 3.12Å
346	G	94.1	Very high	93.4	Very high	19 Å²	19	55.1 Å²	55.1	20%	0.196	31%	0.306	C	S	.	.	S	Bend	trans	72.1	-171.8	175.1	0	0	0	0	0	114.7	H317 R318 S366	H317-G346 CarbonylContact C-O 3.48Å; R318-G346 PolarHBondContact N-O 3.14Å; G346-S366 WeakPolarHBondContact CA-OG 3.33Å
347	I	96.6	Very high	92.9	Very high	63 Å²	63	57.8 Å²	57.8	32%	0.323	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-86	127.1	175.8	-59.2	170.3	0	0	0	108.1	S301 H317 S349 S366 Y367	S301-I347 VanDerWaalsContact OG-CG2 3.3Å; S301-I347 WeakPolarHBondContact OG-CG2 3.36Å; H317-I347 HydrophobicContact CB-CG1 4.47Å; H317-I347 VanDerWaalsContact ND1-CG1 3.34Å; H317-I347 WeakPolarHBondContact ND1-CG1 3.41Å; I347-S349 PolarHBondContact O-N 3.1Å; I347-S349 VanDerWaalsContact O-N 3.15Å; I347-S366 VanDerWaalsContact O-CA 3.25Å; I347-S366 WeakPolarHBondContact O-CA 3.25Å; I347-S366 PolarHBondContact O-OG 2.7Å; I347-Y367 HydrophobicContact CB-CD2 3.93Å; I347-Y367 HydrophobicContact CD1-CD2 4.41Å; I347-Y367 HydrophobicContact CG2-CD2 4.26Å; I347-Y367 HydrophobicContact CG2-CE2 4.42Å; I347-Y367 PolarHBondContact O-N 3.43Å
348	I	97.7	Very high	92.7	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	108	171.1	-54.6	-49.7	0	0	0	107.9	S301 S302 F316 I320 Q344 I351 T364 G365	S301-I348 VanDerWaalsContact CB-O 3.29Å; S301-I348 WeakPolarHBondContact CB-O 3.38Å; S302-I348 PolarHBondContact OG-O 3.24Å; F316-I348 WeakPolarHBondContact O-CG1 3.38Å; F316-I348 PolarHBondContact O-N 3.37Å; I320-I348 HydrophobicContact CG2-CG1 4.22Å; I320-I348 HydrophobicContact CG2-CG2 4.37Å; Q344-I348 HydrophobicContact CB-CD1 4.28Å; Q344-I348 HydrophobicContact CG-CD1 4.16Å; I348-I351 HydrophobicContact CG2-CD1 4.41Å; I348-I351 HydrophobicContact CG2-CG1 3.98Å; I348-T364 HydrophobicContact CG2-CG2 4.41Å; I348-G365 CarbonylContact C-O 3.53Å; I348-G365 WeakPolarHBondContact CA-O 3.15Å
349	S	96.8	Very high	92.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-23.7	-168.7	49.9	0	0	0	0	113.6	I347 G365 Y367 V391 K444	I347-S349 PolarHBondContact O-N 3.1Å; I347-S349 VanDerWaalsContact O-N 3.15Å; S349-G365 PolarHBondContact N-O 3.43Å; S349-G365 PolarHBondContact OG-O 2.81Å; S349-Y367 VanDerWaalsContact CB-CZ 3.42Å; S349-V391 WeakPolarHBondContact CB-O 3.24Å; S349-V391 PolarHBondContact OG-O 3.2Å; S349-K444 PolarHBondContact O-NZ 3Å
350	C	97.3	Very high	92.6	Very high	10 Å²	10	51.7 Å²	51.7	7%	0.068	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	151.3	178.4	56.5	0	0	0	0	110.3	G365 T392 Q393 V394	C350-G365 PolarHBondContact O-N 2.91Å; C350-T392 WeakPolarHBondContact CB-O 3.17Å; C350-Q393 VanDerWaalsContact SG-C 3.58Å; C350-Q393 VanDerWaalsContact SG-CA 3.54Å; C350-V394 PolarHBondContact SG-N 3.27Å
351	I	98	Very high	92.8	Very high	16 Å²	16	45 Å²	45	8%	0.082	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.6	175.3	-59.7	171.1	0	0	0	107	S302 I348 V353 A363 T364	S302-I351 WeakPolarHBondContact OG-CD1 3.3Å; S302-I351 WeakPolarHBondContact OG-CG1 3.42Å; I348-I351 HydrophobicContact CG2-CD1 4.41Å; I348-I351 HydrophobicContact CG2-CG1 3.98Å; I351-V353 HydrophobicContact CG2-CG2 4.35Å; I351-A363 CarbonylContact C-O 3.55Å; I351-A363 WeakPolarHBondContact CA-O 3.42Å; I351-T364 HydrophobicContact CG1-CG2 4.29Å
352	G	96.8	Very high	93.1	Very high	6 Å²	6	36.4 Å²	36.4	6%	0.062	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133.5	174.3	0	0	0	0	0	109.6	Y362 A363 V394	G352-Y362 CarbonylContact O-C 3.49Å; G352-Y362 WeakPolarHBondContact O-CA 3.39Å; G352-A363 PolarHBondContact N-O 3.16Å; G352-A363 PolarHBondContact O-N 2.79Å; G352-V394 WeakPolarHBondContact CA-O 3.36Å
353	V	97	Very high	93.3	Very high	30 Å²	30	33.9 Å²	33.9	18%	0.182	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.4	179.9	176.8	0	0	0	0	109	S304 F305 Y313 I351 N355	S304-V353 VanDerWaalsContact OG-CG2 3.28Å; S304-V353 WeakPolarHBondContact OG-CG2 3.47Å; F305-V353 WeakPolarHBondContact O-CG2 3.39Å; Y313-V353 HydrophobicContact CD2-CG2 3.93Å; Y313-V353 HydrophobicContact CE2-CG2 3.87Å; I351-V353 HydrophobicContact CG2-CG2 4.35Å; V353-N355 PolarHBondContact O-N 2.8Å
354	L	95.8	Very high	93.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.184	C	C	.	.			trans	-72.9	128.6	176.1	-178.5	64.9	0	0	0	109	S307 D356 R359 I361 L396 K398 W408	S307-L354 WeakPolarHBondContact CB-O 3.37Å; L354-D356 HydrophobicContact CD2-CB 3.94Å; L354-D356 HydrophobicContact CG-CB 3.93Å; L354-D356 PolarHBondContact O-N 2.89Å; L354-R359 HydrophobicContact CD2-CB 4.41Å; L354-I361 HydrophobicContact CB-CB 4.26Å; L354-I361 HydrophobicContact CD2-CB 4.28Å; L354-I361 HydrophobicContact CD2-CD1 4.34Å; L354-I361 PolarHBondContact N-O 3.41Å; L354-L396 HydrophobicContact CB-CB 4.01Å; L354-L396 HydrophobicContact CB-CD1 4.03Å; L354-L396 HydrophobicContact CD1-CB 4.05Å; L354-K398 HydrophobicContact CD1-CB 4.44Å; L354-W408 HydrophobicContact CD1-CB 3.71Å; L354-W408 HydrophobicContact CD1-CG 4.45Å; L354-W408 HydrophobicContact CD2-CB 4Å; L354-W408 HydrophobicContact CD2-CG 3.98Å
355	N	89.9	Confident	93.9	Very high	134 Å²	134	31 Å²	31	72%	0.717	18%	0.183	S	C	*	.	S	Bend	trans	-74.7	60	174	-165.3	17.2	0	0	0	111.7	V353	V353-N355 PolarHBondContact O-N 2.8Å
356	D	88.1	Confident	94.2	Very high	15 Å²	15	29.7 Å²	29.7	8%	0.08	17%	0.17	C	C	.	.			trans	-145.7	102.9	175	-174.8	-5.1	0	0	0	108.8	L354 S358 R359 N360	L354-D356 HydrophobicContact CD2-CB 3.94Å; L354-D356 HydrophobicContact CG-CB 3.93Å; L354-D356 PolarHBondContact O-N 2.89Å; D356-S358 VanDerWaalsContact CG-OG 3.25Å; D356-S358 PolarHBondContact O-N 2.94Å; D356-S358 WeakPolarHBondContact OD1-CB 3.42Å; D356-S358 PolarHBondContact OD1-N 3.2Å; D356-S358 VanDerWaalsContact OD1-N 3.09Å; D356-S358 PolarHBondContact OD1-OG 2.95Å; D356-S358 PolarHBondContact OD2-OG 3.19Å; D356-R359 PolarHBondContact O-N 2.88Å; D356-R359 WeakPolarHBondContact OD2-CD 3.44Å; D356-R359 IonicContact OD2-CZ 3.97Å; D356-R359 IonicContact OD2-NE 3.69Å; D356-R359 IonicContact OD2-NH1 3.5Å; D356-N360 PolarHBondContact O-N 3.07Å
357	P	83.4	Confident	94.2	Very high	83 Å²	83	32.7 Å²	32.7	54%	0.539	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.4	-178.2	27.5	-34.2	0	0	0	113	N360	P357-N360 PolarHBondContact O-ND2 3.17Å; P357-N360 PolarHBondContact O-OD1 2.78Å
358	S	85.9	Confident	94.2	Very high	91 Å²	91	32.9 Å²	32.9	64%	0.636	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-33.2	179.9	71.5	0	0	0	0	112.7	D356	D356-S358 VanDerWaalsContact CG-OG 3.25Å; D356-S358 PolarHBondContact O-N 2.94Å; D356-S358 WeakPolarHBondContact OD1-CB 3.42Å; D356-S358 PolarHBondContact OD1-N 3.2Å; D356-S358 VanDerWaalsContact OD1-N 3.09Å; D356-S358 PolarHBondContact OD1-OG 2.95Å; D356-S358 PolarHBondContact OD2-OG 3.19Å
359	R	85.4	Confident	94	Very high	93 Å²	93	33 Å²	33	35%	0.351	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-27.7	-172.7	-69.4	-178.6	176.5	158.5	-3.2	114.1	L354 D356 I361 P407	L354-R359 HydrophobicContact CD2-CB 4.41Å; D356-R359 PolarHBondContact O-N 2.88Å; D356-R359 WeakPolarHBondContact OD2-CD 3.44Å; D356-R359 IonicContact OD2-CZ 3.97Å; D356-R359 IonicContact OD2-NE 3.69Å; D356-R359 IonicContact OD2-NH1 3.5Å; R359-I361 VanDerWaalsContact C-N 3.31Å; R359-I361 HydrophobicContact CB-CD1 3.96Å; R359-I361 HydrophobicContact CB-CG1 4.04Å; R359-I361 PolarHBondContact O-N 3.3Å; R359-P407 VanDerWaalsContact NH1-C 3.34Å; R359-P407 VanDerWaalsContact NH1-CB 3.29Å; R359-P407 PolarHBondContact NH1-O 3.19Å; R359-P407 VanDerWaalsContact NH2-CB 3.3Å
360	N	91.7	Very high	93.9	Very high	48 Å²	48	33.3 Å²	33.3	26%	0.257	18%	0.182	S	C	.	.			trans	49.8	49.2	179.4	-65.2	-61.1	0	0	0	113.3	D356 P357 E376	D356-N360 PolarHBondContact O-N 3.07Å; P357-N360 PolarHBondContact O-ND2 3.17Å; P357-N360 PolarHBondContact O-OD1 2.78Å; N360-E376 HydrophobicContact CB-CB 3.89Å; N360-E376 HydrophobicContact CB-CG 3.81Å; N360-E376 PolarHBondContact O-N 2.96Å
361	I	95.9	Very high	93.9	Very high	13 Å²	13	32.9 Å²	32.9	7%	0.067	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	137.9	179.7	-63.6	172.2	0	0	0	109.6	L354 R359 I373 F374 I381 L396 W408	L354-I361 HydrophobicContact CB-CB 4.26Å; L354-I361 HydrophobicContact CD2-CB 4.28Å; L354-I361 HydrophobicContact CD2-CD1 4.34Å; L354-I361 PolarHBondContact N-O 3.41Å; R359-I361 VanDerWaalsContact C-N 3.31Å; R359-I361 HydrophobicContact CB-CD1 3.96Å; R359-I361 HydrophobicContact CB-CG1 4.04Å; R359-I361 PolarHBondContact O-N 3.3Å; I361-I373 HydrophobicContact CG2-CG2 3.66Å; I361-F374 WeakPolarHBondContact CA-O 3.37Å; I361-I381 HydrophobicContact CD1-CD1 4.4Å; I361-I381 HydrophobicContact CG1-CD1 4.36Å; I361-I381 HydrophobicContact CG2-CD1 4.43Å; I361-L396 HydrophobicContact CG2-CD1 4.01Å; I361-W408 HydrophobicContact CD1-CZ2 4.23Å
362	Y	97.2	Very high	93.9	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	152.3	171.8	64.6	-84.1	0	0	0	110.7	Y313 I320 R335 G352 T364 F374 E376 G378	Y313-Y362 HydrophobicContact CE1-CD1 4.46Å; Y313-Y362 HydrophobicContact CE1-CE1 4.39Å; I320-Y362 HydrophobicContact CD1-CE2 3.58Å; R335-Y362 PolarHBondContact NH1-OH 3.21Å; G352-Y362 CarbonylContact O-C 3.49Å; G352-Y362 WeakPolarHBondContact O-CA 3.39Å; Y362-T364 HydrophobicContact CD2-CG2 4.12Å; Y362-T364 HydrophobicContact CE2-CG2 4.21Å; Y362-F374 HydrophobicContact CD1-CB 4.15Å; Y362-F374 HydrophobicContact CD2-CB 4.09Å; Y362-F374 AromaticContact CD2-CD2 4Å; Y362-F374 HydrophobicContact CD2-CD2 4Å; Y362-F374 HydrophobicContact CD2-CG 4.49Å; Y362-F374 HydrophobicContact CE1-CB 3.65Å; Y362-F374 HydrophobicContact CE2-CB 3.58Å; Y362-F374 AromaticContact CE2-CD2 3.44Å; Y362-F374 HydrophobicContact CE2-CD2 3.44Å; Y362-F374 VanDerWaalsContact CE2-CD2 3.44Å; Y362-F374 HydrophobicContact CE2-CE2 4.38Å; Y362-F374 AromaticContact CE2-CG 3.79Å; Y362-F374 HydrophobicContact CE2-CG 3.79Å; Y362-F374 HydrophobicContact CG-CB 4.35Å; Y362-F374 AromaticContact CZ-CG 3.89Å; Y362-F374 PolarHBondContact N-O 3.19Å; Y362-F374 PolarHBondContact O-N 2.55Å; Y362-E376 HydrophobicContact CE1-CG 4.37Å; Y362-E376 VanDerWaalsContact CE1-OE1 3.22Å; Y362-E376 WeakPolarHBondContact CE1-OE1 3.49Å; Y362-G378 WeakPolarHBondContact OH-CA 3.39Å
363	A	97.7	Very high	93.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	150.3	177.9	0	0	0	0	0	110.2	I351 G352 V371 C372 I373 V394 L396	I351-A363 CarbonylContact C-O 3.55Å; I351-A363 WeakPolarHBondContact CA-O 3.42Å; G352-A363 PolarHBondContact N-O 3.16Å; G352-A363 PolarHBondContact O-N 2.79Å; A363-V371 HydrophobicContact CB-CG1 4.39Å; A363-C372 CarbonylContact C-O 3.36Å; A363-C372 VanDerWaalsContact CA-O 3.28Å; A363-C372 WeakPolarHBondContact CA-O 3.43Å; A363-I373 HydrophobicContact CB-CG1 4.18Å; A363-V394 HydrophobicContact CB-CG1 3.58Å; A363-L396 HydrophobicContact CB-CD1 3.88Å; A363-L396 HydrophobicContact CB-CD2 4.11Å; A363-L396 HydrophobicContact CB-CG 4.07Å
364	T	98	Very high	93.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	121.5	-174.7	52.7	0	0	0	0	108.6	I320 Q344 I348 I351 Y362 V371 C372 F374	I320-T364 HydrophobicContact CG2-CG2 4.33Å; Q344-T364 PolarHBondContact NE2-O 3.29Å; Q344-T364 PolarHBondContact OE1-OG1 3.4Å; I348-T364 HydrophobicContact CG2-CG2 4.41Å; I351-T364 HydrophobicContact CG1-CG2 4.29Å; Y362-T364 HydrophobicContact CD2-CG2 4.12Å; Y362-T364 HydrophobicContact CE2-CG2 4.21Å; T364-V371 CarbonylContact O-C 3.55Å; T364-V371 VanDerWaalsContact O-CA 3.25Å; T364-V371 WeakPolarHBondContact O-CA 2.95Å; T364-C372 PolarHBondContact N-O 3.2Å; T364-C372 PolarHBondContact O-N 3.14Å; T364-C372 PolarHBondContact OG1-O 2.88Å; T364-F374 HydrophobicContact CG2-CD2 4.04Å; T364-F374 HydrophobicContact CG2-CE2 3.86Å; T364-F374 WeakPolarHBondContact OG1-CE2 3.29Å
365	G	97.5	Very high	93.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	143.6	173.1	0	0	0	0	0	110.3	I348 S349 C350	I348-G365 CarbonylContact C-O 3.53Å; I348-G365 WeakPolarHBondContact CA-O 3.15Å; S349-G365 PolarHBondContact N-O 3.43Å; S349-G365 PolarHBondContact OG-O 2.81Å; C350-G365 PolarHBondContact O-N 2.91Å
366	S	96.9	Very high	93.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.8	177.1	171.1	0	0	0	0	112.2	G345 G346 I347 N368 G369 T370 V391	G345-S366 WeakPolarHBondContact O-CB 3.44Å; G345-S366 PolarHBondContact O-OG 3.24Å; G346-S366 WeakPolarHBondContact CA-OG 3.33Å; I347-S366 VanDerWaalsContact O-CA 3.25Å; I347-S366 WeakPolarHBondContact O-CA 3.25Å; I347-S366 PolarHBondContact O-OG 2.7Å; S366-N368 WeakPolarHBondContact CB-OD1 3.15Å; S366-N368 PolarHBondContact O-N 3.24Å; S366-N368 VanDerWaalsContact O-N 3.1Å; S366-N368 PolarHBondContact OG-N 3.49Å; S366-N368 PolarHBondContact OG-OD1 3.15Å; S366-G369 PolarHBondContact O-N 3.28Å; S366-T370 PolarHBondContact N-O 3.12Å; S366-V391 PolarHBondContact O-N 2.78Å
367	Y	95.6	Very high	94.1	Very high	81 Å²	81	30.8 Å²	30.8	32%	0.318	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-6.5	173	-69.9	-39.2	0	0	0	114.4	I347 S349 G369 G390 V391	I347-Y367 HydrophobicContact CB-CD2 3.93Å; I347-Y367 HydrophobicContact CD1-CD2 4.41Å; I347-Y367 HydrophobicContact CG2-CD2 4.26Å; I347-Y367 HydrophobicContact CG2-CE2 4.42Å; I347-Y367 PolarHBondContact O-N 3.43Å; S349-Y367 VanDerWaalsContact CB-CZ 3.42Å; Y367-G369 VanDerWaalsContact C-N 3.28Å; Y367-G390 VanDerWaalsContact O-CA 3.32Å; Y367-G390 WeakPolarHBondContact O-CA 3.49Å; Y367-V391 WeakPolarHBondContact CD1-O 3.44Å
368	N	94.6	Very high	94.4	Very high	67 Å²	67	27.8 Å²	27.8	36%	0.358	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	2.1	169.6	76.6	-16.1	0	0	0	113.9	G345 S366 T370	G345-N368 VanDerWaalsContact C-ND2 3.28Å; G345-N368 WeakPolarHBondContact CA-ND2 3.41Å; G345-N368 PolarHBondContact N-ND2 3.04Å; G345-N368 VanDerWaalsContact O-CG 3.31Å; G345-N368 PolarHBondContact O-ND2 3.43Å; G345-N368 VanDerWaalsContact O-ND2 3.12Å; S366-N368 WeakPolarHBondContact CB-OD1 3.15Å; S366-N368 PolarHBondContact O-N 3.24Å; S366-N368 VanDerWaalsContact O-N 3.1Å; S366-N368 PolarHBondContact OG-N 3.49Å; S366-N368 PolarHBondContact OG-OD1 3.15Å; N368-T370 VanDerWaalsContact CG-OG1 3.28Å; N368-T370 PolarHBondContact ND2-OG1 3.08Å; N368-T370 VanDerWaalsContact ND2-OG1 3.13Å; N368-T370 WeakPolarHBondContact OD1-CB 3.45Å; N368-T370 PolarHBondContact OD1-N 3.44Å; N368-T370 PolarHBondContact OD1-OG1 2.93Å
369	G	94.3	Very high	94.8	Very high	5 Å²	5	28.3 Å²	28.3	5%	0.052	15%	0.151	C	C	.	.	S	Bend	trans	88.9	-1.1	178.3	0	0	0	0	0	116	S366 Y367 S386 H387	S366-G369 PolarHBondContact O-N 3.28Å; Y367-G369 VanDerWaalsContact C-N 3.28Å; G369-S386 PolarHBondContact O-N 3.49Å; G369-S386 PolarHBondContact O-OG 2.93Å; G369-H387 WeakPolarHBondContact CA-O 3.44Å
370	T	95.8	Very high	95.3	Very high	7 Å²	7	27.2 Å²	27.2	4%	0.043	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	144	178.6	62.8	0	0	0	0	111	Q344 S366 N368 L384 F385	Q344-T370 WeakPolarHBondContact CG-OG1 2.94Å; Q344-T370 PolarHBondContact NE2-O 3.34Å; Q344-T370 PolarHBondContact NE2-OG1 3.01Å; S366-T370 PolarHBondContact N-O 3.12Å; N368-T370 VanDerWaalsContact CG-OG1 3.28Å; N368-T370 PolarHBondContact ND2-OG1 3.08Å; N368-T370 VanDerWaalsContact ND2-OG1 3.13Å; N368-T370 WeakPolarHBondContact OD1-CB 3.45Å; N368-T370 PolarHBondContact OD1-N 3.44Å; N368-T370 PolarHBondContact OD1-OG1 2.93Å; T370-L384 WeakPolarHBondContact CA-O 3.38Å; T370-F385 HydrophobicContact CG2-CD1 3.88Å; T370-F385 HydrophobicContact CG2-CE1 3.65Å; T370-F385 HydrophobicContact CG2-CZ 4.49Å
371	V	96.9	Very high	95.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.8	167	178.9	0	0	0	0	108.4	A363 T364 R383 L384 V391 V394 V412	A363-V371 HydrophobicContact CB-CG1 4.39Å; T364-V371 CarbonylContact O-C 3.55Å; T364-V371 VanDerWaalsContact O-CA 3.25Å; T364-V371 WeakPolarHBondContact O-CA 2.95Å; V371-R383 CarbonylContact O-C 3.54Å; V371-R383 WeakPolarHBondContact O-CA 3.45Å; V371-L384 HydrophobicContact CB-CB 4.23Å; V371-L384 PolarHBondContact N-O 3.28Å; V371-L384 PolarHBondContact O-N 3.06Å; V371-V391 HydrophobicContact CG2-CG1 4.18Å; V371-V391 HydrophobicContact CG2-CG2 3.72Å; V371-V394 HydrophobicContact CG1-CG1 4.17Å; V371-V394 HydrophobicContact CG1-CG2 3.99Å; V371-V394 HydrophobicContact CG2-CG2 3.95Å; V371-V412 HydrophobicContact CG1-CG2 4.43Å; V371-V412 HydrophobicContact CG2-CB 4.48Å; V371-V412 HydrophobicContact CG2-CG1 3.7Å; V371-V412 HydrophobicContact CG2-CG2 3.91Å
372	C	96.8	Very high	95.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.4	176.4	-72.8	0	0	0	0	109.8	Q344 A363 T364 F374 L380	Q344-C372 HydrophobicContact CG-CB 4.5Å; A363-C372 CarbonylContact C-O 3.36Å; A363-C372 VanDerWaalsContact CA-O 3.28Å; A363-C372 WeakPolarHBondContact CA-O 3.43Å; T364-C372 PolarHBondContact N-O 3.2Å; T364-C372 PolarHBondContact O-N 3.14Å; T364-C372 PolarHBondContact OG1-O 2.88Å; C372-F374 HydrophobicContact CB-CD2 4.38Å; C372-F374 HydrophobicContact CB-CE1 4.41Å; C372-F374 HydrophobicContact CB-CE2 3.56Å; C372-F374 HydrophobicContact CB-CZ 3.55Å; C372-L380 HydrophobicContact CB-CD1 3.8Å
373	I	96.9	Very high	95.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131.5	176.7	-49.9	-179.6	0	0	0	108.3	I361 A363 I381 T382 L384 W408 V410 L428	I361-I373 HydrophobicContact CG2-CG2 3.66Å; A363-I373 HydrophobicContact CB-CG1 4.18Å; I373-I381 HydrophobicContact CB-CB 4.47Å; I373-I381 HydrophobicContact CG2-CB 4.48Å; I373-I381 HydrophobicContact CG2-CD1 4.09Å; I373-I381 PolarHBondContact O-N 3.24Å; I373-T382 HydrophobicContact CB-CG2 4.28Å; I373-T382 HydrophobicContact CD1-CG2 3.84Å; I373-T382 HydrophobicContact CG1-CG2 4.12Å; I373-T382 PolarHBondContact N-O 3.1Å; I373-L384 HydrophobicContact CD1-CD1 4.13Å; I373-W408 HydrophobicContact CD1-CH2 3.76Å; I373-W408 HydrophobicContact CD1-CZ3 3.73Å; I373-W408 HydrophobicContact CG2-CH2 4.07Å; I373-V410 HydrophobicContact CD1-CG2 3.68Å; I373-L428 HydrophobicContact CD1-CD1 4.36Å; I373-L428 HydrophobicContact CD1-CD2 4.09Å
374	F	96.6	Very high	95.1	Very high	14 Å²	14	35.3 Å²	35.3	6%	0.061	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.5	-176	-61.1	-76.3	0	0	0	111	L343 I361 Y362 T364 C372 N379 L380	L343-F374 HydrophobicContact CB-CE1 4.28Å; L343-F374 HydrophobicContact CB-CZ 4.3Å; L343-F374 HydrophobicContact CD1-CE1 3.7Å; L343-F374 HydrophobicContact CD1-CZ 4.39Å; I361-F374 WeakPolarHBondContact CA-O 3.37Å; Y362-F374 HydrophobicContact CD1-CB 4.15Å; Y362-F374 HydrophobicContact CD2-CB 4.09Å; Y362-F374 AromaticContact CD2-CD2 4Å; Y362-F374 HydrophobicContact CD2-CD2 4Å; Y362-F374 HydrophobicContact CD2-CG 4.49Å; Y362-F374 HydrophobicContact CE1-CB 3.65Å; Y362-F374 HydrophobicContact CE2-CB 3.58Å; Y362-F374 AromaticContact CE2-CD2 3.44Å; Y362-F374 HydrophobicContact CE2-CD2 3.44Å; Y362-F374 VanDerWaalsContact CE2-CD2 3.44Å; Y362-F374 HydrophobicContact CE2-CE2 4.38Å; Y362-F374 AromaticContact CE2-CG 3.79Å; Y362-F374 HydrophobicContact CE2-CG 3.79Å; Y362-F374 HydrophobicContact CG-CB 4.35Å; Y362-F374 AromaticContact CZ-CG 3.89Å; Y362-F374 PolarHBondContact N-O 3.19Å; Y362-F374 PolarHBondContact O-N 2.55Å; T364-F374 HydrophobicContact CG2-CD2 4.04Å; T364-F374 HydrophobicContact CG2-CE2 3.86Å; T364-F374 WeakPolarHBondContact OG1-CE2 3.29Å; C372-F374 HydrophobicContact CB-CD2 4.38Å; C372-F374 HydrophobicContact CB-CE1 4.41Å; C372-F374 HydrophobicContact CB-CE2 3.56Å; C372-F374 HydrophobicContact CB-CZ 3.55Å; F374-N379 CarbonylContact C-O 3.12Å; F374-N379 VanDerWaalsContact CA-O 3.22Å; F374-N379 WeakPolarHBondContact CA-O 3.12Å; F374-L380 HydrophobicContact CD1-CB 4.09Å; F374-L380 HydrophobicContact CD1-CD1 3.99Å; F374-L380 HydrophobicContact CE1-CB 3.91Å; F374-L380 HydrophobicContact CE1-CD1 3.48Å; F374-L380 VanDerWaalsContact CE1-CD1 3.48Å; F374-L380 HydrophobicContact CE1-CG 4.3Å; F374-L380 HydrophobicContact CZ-CD1 3.95Å
375	S	94.7	Very high	94.8	Very high	38 Å²	38	42.4 Å²	42.4	27%	0.266	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	142.5	159.4	-178.6	0	0	0	0	108.9	G378 N379	S375-G378 CarbonylContact O-C 3.53Å; S375-G378 WeakPolarHBondContact O-CA 3.35Å; S375-G378 PolarHBondContact O-N 2.7Å; S375-N379 PolarHBondContact N-O 3.2Å; S375-N379 PolarHBondContact O-N 3.32Å
376	E	92.9	Very high	94.4	Very high	21 Å²	21	43.1 Å²	43.1	10%	0.098	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	139.3	166.6	-79	-64.1	137.7	0	0	110.9	R311 Y313 R335 N360 Y362	R311-E376 IonicContact CZ-OE2 3.32Å; R311-E376 VanDerWaalsContact NH1-CD 3.28Å; R311-E376 IonicContact NH1-OE2 3.65Å; R311-E376 PolarHBondContact NH1-OE2 3.15Å; Y313-E376 WeakPolarHBondContact CE1-OE1 3.11Å; Y313-E376 VanDerWaalsContact OH-CD 3.29Å; Y313-E376 PolarHBondContact OH-OE1 2.95Å; R335-E376 IonicContact CZ-OE1 3.83Å; R335-E376 IonicContact CZ-OE2 2.76Å; R335-E376 IonicContact NH1-OE1 2.68Å; R335-E376 PolarHBondContact NH1-OE1 2.81Å; R335-E376 IonicContact NH1-OE2 3.87Å; R335-E376 PolarHBondContact NH1-OE2 3.29Å; R335-E376 IonicContact NH2-OE1 2.72Å; R335-E376 IonicContact NH2-OE2 3Å; R335-E376 PolarHBondContact NH2-OE2 2.65Å; N360-E376 HydrophobicContact CB-CB 3.89Å; N360-E376 HydrophobicContact CB-CG 3.81Å; N360-E376 PolarHBondContact O-N 2.96Å; Y362-E376 HydrophobicContact CE1-CG 4.37Å; Y362-E376 VanDerWaalsContact CE1-OE1 3.22Å; Y362-E376 WeakPolarHBondContact CE1-OE1 3.49Å
377	P	90.5	Very high	94	Very high	85 Å²	85	43.3 Å²	43.3	55%	0.552	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	cis	-93.7	29.3	7.4	37.7	-37.1	0	0	0	115.2	R335	R335-P377 WeakPolarHBondContact CD-O 3.49Å; R335-P377 VanDerWaalsContact CZ-C 3.46Å; R335-P377 PolarHBondContact NE-O 2.76Å; R335-P377 PolarHBondContact NH1-O 2.6Å; R335-P377 PolarHBondContact NH2-O 2.98Å
378	G	90.3	Very high	93.7	Very high	20 Å²	20	47.2 Å²	47.2	21%	0.206	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	125.2	22.1	-177.7	0	0	0	0	0	114.9	Y362 S375	Y362-G378 WeakPolarHBondContact OH-CA 3.39Å; S375-G378 CarbonylContact O-C 3.53Å; S375-G378 WeakPolarHBondContact O-CA 3.35Å; S375-G378 PolarHBondContact O-N 2.7Å
379	N	94.3	Very high	93.5	Very high	102 Å²	102	50.2 Å²	50.2	55%	0.545	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	121.4	177.7	-66	-38.2	0	0	0	109.6	F374 S375 I381	F374-N379 CarbonylContact C-O 3.12Å; F374-N379 VanDerWaalsContact CA-O 3.22Å; F374-N379 WeakPolarHBondContact CA-O 3.12Å; S375-N379 PolarHBondContact N-O 3.2Å; S375-N379 PolarHBondContact O-N 3.32Å; N379-I381 PolarHBondContact O-N 2.82Å
380	L	95.4	Very high	93.5	Very high	69 Å²	69	50 Å²	50	36%	0.361	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	121.3	177.1	-178.2	70.4	0	0	0	109.7	L343 C372 F374 T382	L343-L380 HydrophobicContact CD1-CB 4.45Å; L343-L380 HydrophobicContact CD2-CD2 4.4Å; C372-L380 HydrophobicContact CB-CD1 3.8Å; F374-L380 HydrophobicContact CD1-CB 4.09Å; F374-L380 HydrophobicContact CD1-CD1 3.99Å; F374-L380 HydrophobicContact CE1-CB 3.91Å; F374-L380 HydrophobicContact CE1-CD1 3.48Å; F374-L380 VanDerWaalsContact CE1-CD1 3.48Å; F374-L380 HydrophobicContact CE1-CG 4.3Å; F374-L380 HydrophobicContact CZ-CD1 3.95Å; L380-T382 WeakPolarHBondContact CD1-O 3.21Å
381	I	94.3	Very high	93.5	Very high	81 Å²	81	49.6 Å²	49.6	42%	0.415	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-54.8	171.4	-65	166.3	0	0	0	109.1	I361 I373 N379	I361-I381 HydrophobicContact CD1-CD1 4.4Å; I361-I381 HydrophobicContact CG1-CD1 4.36Å; I361-I381 HydrophobicContact CG2-CD1 4.43Å; I373-I381 HydrophobicContact CB-CB 4.47Å; I373-I381 HydrophobicContact CG2-CB 4.48Å; I373-I381 HydrophobicContact CG2-CD1 4.09Å; I373-I381 PolarHBondContact O-N 3.24Å; N379-I381 PolarHBondContact O-N 2.82Å
382	T	95.4	Very high	93.4	Very high	37 Å²	37	49.9 Å²	49.9	23%	0.227	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	164.2	179.7	-166.5	0	0	0	0	112.1	I373 L380 L384 L428	I373-T382 HydrophobicContact CB-CG2 4.28Å; I373-T382 HydrophobicContact CD1-CG2 3.84Å; I373-T382 HydrophobicContact CG1-CG2 4.12Å; I373-T382 PolarHBondContact N-O 3.1Å; L380-T382 WeakPolarHBondContact CD1-O 3.21Å; T382-L384 HydrophobicContact CG2-CD2 3.9Å; T382-L384 HydrophobicContact CG2-CG 4.3Å; T382-L428 HydrophobicContact CG2-CB 4.18Å; T382-L428 HydrophobicContact CG2-CD1 3.55Å; T382-L428 HydrophobicContact CG2-CG 4.31Å
383	R	95.2	Very high	93.5	Very high	110 Å²	110	51.6 Å²	51.6	42%	0.415	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.3	169.3	-178.3	-172.1	-62.2	165.1	4.5	109.2	L343 V371 F385	L343-R383 PolarHBondContact O-NE 2.92Å; L343-R383 PolarHBondContact O-NH2 3.15Å; V371-R383 CarbonylContact O-C 3.54Å; V371-R383 WeakPolarHBondContact O-CA 3.45Å; R383-F385 HydrophobicContact CG-CE2 4.41Å; R383-F385 HydrophobicContact CG-CZ 4.44Å
384	L	94.6	Very high	93.5	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	152.4	174.1	-46.7	177.3	0	0	0	110.5	T370 V371 I373 T382 V410 W423 L428	T370-L384 WeakPolarHBondContact CA-O 3.38Å; V371-L384 HydrophobicContact CB-CB 4.23Å; V371-L384 PolarHBondContact N-O 3.28Å; V371-L384 PolarHBondContact O-N 3.06Å; I373-L384 HydrophobicContact CD1-CD1 4.13Å; T382-L384 HydrophobicContact CG2-CD2 3.9Å; T382-L384 HydrophobicContact CG2-CG 4.3Å; L384-V410 HydrophobicContact CD1-CG1 4.37Å; L384-W423 HydrophobicContact CD1-CD2 3.91Å; L384-W423 HydrophobicContact CD1-CE3 4.14Å; L384-W423 HydrophobicContact CD1-CG 4.18Å; L384-L428 HydrophobicContact CD1-CD2 4.44Å; L384-L428 HydrophobicContact CD2-CB 3.93Å; L384-L428 HydrophobicContact CD2-CD2 4.27Å; L384-L428 WeakPolarHBondContact CD2-O 3.23Å
385	F	92.4	Very high	93.5	Very high	148 Å²	148	53.1 Å²	53.1	65%	0.649	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.1	170.4	-63.3	-90.6	0	0	0	107.8	T370 R383	T370-F385 HydrophobicContact CG2-CD1 3.88Å; T370-F385 HydrophobicContact CG2-CE1 3.65Å; T370-F385 HydrophobicContact CG2-CZ 4.49Å; R383-F385 HydrophobicContact CG-CE2 4.41Å; R383-F385 HydrophobicContact CG-CZ 4.44Å
386	S	88	Confident	93.5	Very high	15 Å²	15	51.8 Å²	51.8	11%	0.105	26%	0.256	C	S	.	.			trans	-122.1	-69.5	-170.9	54.5	0	0	0	0	111.2	G369 V391 F421	G369-S386 PolarHBondContact O-N 3.49Å; G369-S386 PolarHBondContact O-OG 2.93Å; S386-V391 WeakPolarHBondContact OG-CG2 3.21Å; S386-F421 WeakPolarHBondContact O-CE2 3.3Å; S386-F421 WeakPolarHBondContact O-CZ 3.43Å
387	H	89.5	Confident	93.5	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.019	26%	0.257	C	S	.	.			trans	-116.5	132.2	-170.5	-59	-72.2	0	0	0	111.6	G369 Y389 G390 V412 G413 G414 D417 R419 F421	G369-H387 WeakPolarHBondContact CA-O 3.44Å; H387-Y389 VanDerWaalsContact C-N 3.34Å; H387-Y389 PolarHBondContact O-N 2.82Å; H387-G390 PolarHBondContact O-N 3.48Å; H387-V412 PolarHBondContact NE2-O 2.8Å; H387-G413 VanDerWaalsContact NE2-C 3.28Å; H387-G414 VanDerWaalsContact CD2-CA 3.48Å; H387-G414 WeakPolarHBondContact CD2-CA 3.4Å; H387-G414 PolarHBondContact CD2-N 3.09Å; H387-G414 PolarHBondContact CE1-N 2.82Å; H387-G414 PolarHBondContact NE2-N 3.14Å; H387-G414 VanDerWaalsContact NE2-N 3.13Å; H387-D417 IonicContact CE1-OD2 2.97Å; H387-D417 IonicContact CG-OD2 3.15Å; H387-D417 VanDerWaalsContact ND1-CG 3.25Å; H387-D417 IonicContact ND1-OD2 3.99Å; H387-D417 PolarHBondContact ND1-OD2 3.11Å; H387-R419 PolarHBondContact CE1-O 2.92Å; H387-F421 AromaticContact CE1-CD2 3.32Å; H387-F421 WeakPolarHBondContact CE1-CD2 3.36Å; H387-F421 AromaticContact CE1-CE2 3.43Å; H387-F421 VanDerWaalsContact CE1-CE2 3.43Å; H387-F421 WeakPolarHBondContact CE1-CE2 3.48Å; H387-F421 AromaticContact ND1-CD2 3.97Å; H387-F421 AromaticContact ND1-CE2 3.63Å; H387-F421 AromaticContact NE2-CD2 3.59Å
388	Q	88.4	Confident	93.5	Very high	163 Å²	163	52 Å²	52	76%	0.762	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-37	179.3	-66.2	178.8	-1.4	0	0	112.7
389	Y	89.5	Confident	93.3	Very high	130 Å²	130	53.4 Å²	53.4	51%	0.51	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-7.2	-177.2	-64.1	-69.6	0	0	0	113.4	H387 R415 M416	H387-Y389 VanDerWaalsContact C-N 3.34Å; H387-Y389 PolarHBondContact O-N 2.82Å; Y389-R415 WeakPolarHBondContact CB-O 3.39Å; Y389-R415 PolarHBondContact O-NE 3.45Å; Y389-R415 PolarHBondContact O-NH2 3.07Å; Y389-M416 HydrophobicContact CD2-CB 4.12Å; Y389-M416 HydrophobicContact CG-CB 4.3Å
390	G	94.2	Very high	92.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.228	C	C	.	.			trans	112.3	156.3	178.4	0	0	0	0	0	114.4	Y367 H387 G414 R415	Y367-G390 VanDerWaalsContact O-CA 3.32Å; Y367-G390 WeakPolarHBondContact O-CA 3.49Å; H387-G390 PolarHBondContact O-N 3.48Å; G390-G414 VanDerWaalsContact O-CA 3.26Å; G390-G414 WeakPolarHBondContact O-CA 3.47Å; G390-R415 PolarHBondContact O-N 3.41Å; G390-R415 VanDerWaalsContact O-N 3.08Å
391	V	96.9	Very high	92	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	137.8	-172.4	-175.3	0	0	0	0	110	S349 S366 Y367 V371 S386 V394 V412	S349-V391 WeakPolarHBondContact CB-O 3.24Å; S349-V391 PolarHBondContact OG-O 3.2Å; S366-V391 PolarHBondContact O-N 2.78Å; Y367-V391 WeakPolarHBondContact CD1-O 3.44Å; V371-V391 HydrophobicContact CG2-CG1 4.18Å; V371-V391 HydrophobicContact CG2-CG2 3.72Å; S386-V391 WeakPolarHBondContact OG-CG2 3.21Å; V391-V394 HydrophobicContact CG1-CG2 3.61Å; V391-V412 HydrophobicContact CB-CG1 4.42Å; V391-V412 HydrophobicContact CG1-CG1 3.48Å; V391-V412 VanDerWaalsContact CG1-CG1 3.48Å; V391-V412 HydrophobicContact CG2-CG1 4.12Å
392	T	95.7	Very high	91	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.037	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-29.4	177.6	50	0	0	0	0	113.5	C350 G413 R415 K444	C350-T392 WeakPolarHBondContact CB-O 3.17Å; T392-G413 PolarHBondContact N-O 2.86Å; T392-G413 PolarHBondContact OG1-O 2.81Å; T392-G413 VanDerWaalsContact OG1-O 3.14Å; T392-R415 HydrophobicContact CG2-CB 3.55Å; T392-R415 HydrophobicContact CG2-CG 4.36Å; T392-K444 HydrophobicContact CG2-CG 4.35Å
393	Q	97	Very high	89.8	Confident	36 Å²	36	48 Å²	48	17%	0.168	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	139.4	179.4	-171.2	-178	7.1	0	0	109.4	C350 G413 Q446 F447	C350-Q393 VanDerWaalsContact SG-C 3.58Å; C350-Q393 VanDerWaalsContact SG-CA 3.54Å; Q393-G413 PolarHBondContact N-O 3.14Å; Q393-G413 PolarHBondContact O-N 3.22Å; Q393-Q446 VanDerWaalsContact OE1-CA 3.22Å; Q393-F447 HydrophobicContact CB-CE1 3.92Å; Q393-F447 HydrophobicContact CB-CZ 4.39Å; Q393-F447 HydrophobicContact CG-CE1 4.11Å; Q393-F447 HydrophobicContact CG-CZ 4.23Å; Q393-F447 PolarHBondContact NE2-O 3.42Å
394	V	97.3	Very high	88.3	Confident	6 Å²	6	48.9 Å²	48.9	4%	0.036	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.1	170.2	176.1	0	0	0	0	106.9	C350 G352 A363 V371 V391 V410 L411 V412	C350-V394 PolarHBondContact SG-N 3.27Å; G352-V394 WeakPolarHBondContact CA-O 3.36Å; A363-V394 HydrophobicContact CB-CG1 3.58Å; V371-V394 HydrophobicContact CG1-CG1 4.17Å; V371-V394 HydrophobicContact CG1-CG2 3.99Å; V371-V394 HydrophobicContact CG2-CG2 3.95Å; V391-V394 HydrophobicContact CG1-CG2 3.61Å; V394-V410 HydrophobicContact CG1-CG1 4.21Å; V394-L411 WeakPolarHBondContact CA-O 3.29Å; V394-V412 HydrophobicContact CG2-CG1 4.23Å; V394-V412 HydrophobicContact CG2-CG2 4.27Å
395	M	96.8	Very high	87.3	Confident	40 Å²	40	50 Å²	50	20%	0.197	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	137.5	176.7	177.6	175.1	-94.6	0	0	109.2	L411 F447 D448 V449	M395-L411 HydrophobicContact CB-CB 4.43Å; M395-L411 PolarHBondContact N-O 3.34Å; M395-L411 PolarHBondContact O-N 2.82Å; M395-F447 HydrophobicContact CB-CE2 3.99Å; M395-F447 HydrophobicContact CB-CZ 4.49Å; M395-F447 HydrophobicContact SD-CE2 4.44Å; M395-D448 VanDerWaalsContact CE-OD1 3.24Å; M395-D448 WeakPolarHBondContact CE-OD1 3.33Å; M395-V449 HydrophobicContact SD-CB 4.08Å; M395-V449 HydrophobicContact SD-CG2 3.71Å
396	L	95.7	Very high	86.9	Confident	10 Å²	10	43.1 Å²	43.1	5%	0.052	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.8	173.3	-67	176.9	0	0	0	108.1	L354 I361 A363 W408 Y409 V410	L354-L396 HydrophobicContact CB-CB 4.01Å; L354-L396 HydrophobicContact CB-CD1 4.03Å; L354-L396 HydrophobicContact CD1-CB 4.05Å; I361-L396 HydrophobicContact CG2-CD1 4.01Å; A363-L396 HydrophobicContact CB-CD1 3.88Å; A363-L396 HydrophobicContact CB-CD2 4.11Å; A363-L396 HydrophobicContact CB-CG 4.07Å; L396-W408 HydrophobicContact CD2-CE3 4.15Å; L396-W408 HydrophobicContact CD2-CZ3 4.38Å; L396-Y409 WeakPolarHBondContact CA-O 3.26Å; L396-V410 HydrophobicContact CD2-CB 4.12Å; L396-V410 HydrophobicContact CD2-CG1 3.96Å; L396-V410 HydrophobicContact CD2-CG2 3.68Å
397	T	93.1	Very high	86.8	Confident	19 Å²	19	44.1 Å²	44.1	12%	0.117	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	146.2	176	-175.9	0	0	0	0	110.8	T399 F400 W408 Y409 L411	T397-T399 VanDerWaalsContact CG2-O 3.26Å; T397-T399 WeakPolarHBondContact CG2-O 3.36Å; T397-T399 PolarHBondContact OG1-N 3.06Å; T397-T399 PolarHBondContact OG1-O 3.15Å; T397-F400 HydrophobicContact CG2-CB 4.37Å; T397-F400 HydrophobicContact CG2-CD2 4.35Å; T397-W408 CarbonylContact O-C 3.55Å; T397-W408 WeakPolarHBondContact O-CA 3.41Å; T397-W408 WeakPolarHBondContact O-CB 3.19Å; T397-Y409 PolarHBondContact N-O 3.17Å; T397-Y409 VanDerWaalsContact N-O 3.07Å; T397-Y409 PolarHBondContact O-N 2.73Å; T397-L411 HydrophobicContact CG2-CD1 3.7Å
398	K	89.9	Confident	86.9	Confident	92 Å²	92	44.8 Å²	44.8	40%	0.4	24%	0.238	S	C	.	.	S	Bend	trans	-82	-39.7	174.1	-177.5	178	176.9	177.6	0	111.1	L354	L354-K398 HydrophobicContact CD1-CB 4.44Å
399	T	85.6	Confident	87.2	Confident	48 Å²	48	37.6 Å²	37.6	29%	0.294	20%	0.204	S	C	.	.			trans	-103.5	131.4	-179.2	49.7	0	0	0	0	109.5	T397	T397-T399 VanDerWaalsContact CG2-O 3.26Å; T397-T399 WeakPolarHBondContact CG2-O 3.36Å; T397-T399 PolarHBondContact OG1-N 3.06Å; T397-T399 PolarHBondContact OG1-O 3.15Å
400	F	83.9	Confident	87.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-146.7	137.5	175.5	-172.6	-101.2	0	0	0	108.5	T397 G402 K403 Y409 L411 V422 G453 L470 I474	T397-F400 HydrophobicContact CG2-CB 4.37Å; T397-F400 HydrophobicContact CG2-CD2 4.35Å; F400-G402 PolarHBondContact O-N 3.14Å; F400-K403 PolarHBondContact O-N 3.41Å; F400-Y409 HydrophobicContact CB-CD1 3.83Å; F400-Y409 HydrophobicContact CB-CD2 3.15Å; F400-Y409 HydrophobicContact CB-CE1 3.93Å; F400-Y409 HydrophobicContact CB-CE2 3.27Å; F400-Y409 HydrophobicContact CB-CG 3.43Å; F400-Y409 VanDerWaalsContact CB-CG 3.43Å; F400-Y409 AromaticContact CD1-CD1 3.77Å; F400-Y409 HydrophobicContact CD1-CD1 3.77Å; F400-Y409 AromaticContact CD1-CE1 3.77Å; F400-Y409 HydrophobicContact CD1-CE1 3.77Å; F400-Y409 HydrophobicContact CD1-CG 4.2Å; F400-Y409 HydrophobicContact CD2-CG 4.44Å; F400-Y409 AromaticContact CG-CD1 3.88Å; F400-Y409 HydrophobicContact CG-CD1 3.88Å; F400-Y409 HydrophobicContact CG-CD2 4.06Å; F400-Y409 HydrophobicContact CG-CE1 4.15Å; F400-Y409 HydrophobicContact CG-CE2 4.32Å; F400-Y409 AromaticContact CG-CG 3.81Å; F400-Y409 HydrophobicContact CG-CG 3.81Å; F400-L411 HydrophobicContact CE2-CD2 4.17Å; F400-V422 HydrophobicContact CE1-CG1 3.93Å; F400-V422 HydrophobicContact CE2-CG1 3.79Å; F400-V422 HydrophobicContact CE2-CG2 4.47Å; F400-V422 HydrophobicContact CZ-CB 4.36Å; F400-V422 HydrophobicContact CZ-CG1 3.46Å; F400-V422 VanDerWaalsContact CZ-CG1 3.46Å; F400-V422 HydrophobicContact CZ-CG2 4.25Å; F400-G453 CarbonylContact C-O 3.58Å; F400-G453 VanDerWaalsContact CA-O 3.32Å; F400-G453 WeakPolarHBondContact CA-O 3.25Å; F400-L470 HydrophobicContact CD2-CD1 3.59Å; F400-L470 HydrophobicContact CD2-CG 4.4Å; F400-L470 HydrophobicContact CE1-CB 4.25Å; F400-L470 HydrophobicContact CE2-CB 4.07Å; F400-L470 HydrophobicContact CE2-CD1 3.43Å; F400-L470 VanDerWaalsContact CE2-CD1 3.43Å; F400-L470 HydrophobicContact CE2-CD2 3.5Å; F400-L470 HydrophobicContact CE2-CG 3.83Å; F400-L470 HydrophobicContact CG-CD1 4.39Å; F400-L470 HydrophobicContact CZ-CB 3.9Å; F400-L470 HydrophobicContact CZ-CD1 4.13Å; F400-L470 HydrophobicContact CZ-CD2 3.59Å; F400-L470 HydrophobicContact CZ-CG 4.06Å; F400-I474 HydrophobicContact CD1-CD1 3.85Å; F400-I474 HydrophobicContact CE1-CD1 3.53Å; F400-I474 HydrophobicContact CE1-CG1 3.98Å
401	A	79.4	Confident	87.6	Confident	6 Å²	6	31.4 Å²	31.4	5%	0.05	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	26.8	-173.3	0	0	0	0	0	114.4	K403 G453 L470 P471 I474	A401-K403 PolarHBondContact O-N 2.8Å; A401-G453 PolarHBondContact N-O 2.61Å; A401-L470 HydrophobicContact CB-CB 4.19Å; A401-P471 HydrophobicContact CB-CB 3.86Å; A401-P471 HydrophobicContact CB-CG 3.69Å; A401-P471 WeakPolarHBondContact O-CG 3.47Å; A401-I474 HydrophobicContact CB-CD1 3.62Å
402	G	71.9	Confident	87.6	Confident	55 Å²	55	31.4 Å²	31.4	57%	0.567	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	6.7	-176	0	0	0	0	0	114.9	F400	F400-G402 PolarHBondContact O-N 3.14Å
403	K	70	Confident	87.6	Confident	115 Å²	115	31.1 Å²	31.1	50%	0.5	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-104.7	133.6	179.6	-70.4	175.4	-176.5	170.3	0	108.7	F400 A401 G405	F400-K403 PolarHBondContact O-N 3.41Å; A401-K403 PolarHBondContact O-N 2.8Å; K403-G405 PolarHBondContact O-N 2.9Å
404	N	64.7	Low	87.5	Confident	128 Å²	128	29.4 Å²	29.4	68%	0.684	17%	0.17	S	C	*	.			trans	-85.4	48.9	169.9	-157	22.8	0	0	0	110.6
405	G	74.3	Confident	87.3	Confident	30 Å²	30	32.3 Å²	32.3	31%	0.309	18%	0.181	S	C	.	.			trans	-73.4	-80.2	-177.5	0	0	0	0	0	110.8	K403 R426	K403-G405 PolarHBondContact O-N 2.9Å; G405-R426 PolarHBondContact O-NH1 2.59Å; G405-R426 PolarHBondContact O-NH2 3.06Å
406	A	82.2	Confident	87	Confident	2 Å²	2	33.6 Å²	33.6	2%	0.017	19%	0.187	C	C	.	.	S	Bend	trans	-67.2	156.6	171.9	0	0	0	0	0	112.2	W408 Y409 D424	A406-W408 VanDerWaalsContact C-N 3.28Å; A406-W408 WeakPolarHBondContact CB-O 3.29Å; A406-W408 PolarHBondContact O-N 2.91Å; A406-Y409 HydrophobicContact CB-CD1 4.18Å; A406-Y409 HydrophobicContact CB-CD2 4.18Å; A406-Y409 HydrophobicContact CB-CE1 3.57Å; A406-Y409 HydrophobicContact CB-CE2 3.57Å; A406-Y409 HydrophobicContact CB-CG 4.47Å; A406-Y409 WeakPolarHBondContact CB-OH 3.3Å; A406-Y409 PolarHBondContact N-OH 2.8Å; A406-Y409 VanDerWaalsContact N-OH 3.11Å; A406-D424 VanDerWaalsContact CB-CG 3.44Å; A406-D424 WeakPolarHBondContact CB-OD1 3.34Å
407	P	86.4	Confident	86.8	Confident	37 Å²	37	33.8 Å²	33.8	24%	0.24	19%	0.188	C	C	.	.	S	Bend	trans	-65.3	-32.1	171.2	26.6	-32.7	0	0	0	112.7	R359 A425	R359-P407 VanDerWaalsContact NH1-C 3.34Å; R359-P407 VanDerWaalsContact NH1-CB 3.29Å; R359-P407 PolarHBondContact NH1-O 3.19Å; R359-P407 VanDerWaalsContact NH2-CB 3.3Å; P407-A425 HydrophobicContact CG-CB 3.69Å
408	W	92.3	Very high	86.8	Confident	17 Å²	17	34.5 Å²	34.5	6%	0.064	19%	0.194	C	C	.	.			trans	-166.2	168.8	176.7	46.6	-89.4	0	0	0	109.7	L354 I361 I373 L396 T397 A406 V410 A425 L428	L354-W408 HydrophobicContact CD1-CB 3.71Å; L354-W408 HydrophobicContact CD1-CG 4.45Å; L354-W408 HydrophobicContact CD2-CB 4Å; L354-W408 HydrophobicContact CD2-CG 3.98Å; I361-W408 HydrophobicContact CD1-CZ2 4.23Å; I373-W408 HydrophobicContact CD1-CH2 3.76Å; I373-W408 HydrophobicContact CD1-CZ3 3.73Å; I373-W408 HydrophobicContact CG2-CH2 4.07Å; L396-W408 HydrophobicContact CD2-CE3 4.15Å; L396-W408 HydrophobicContact CD2-CZ3 4.38Å; T397-W408 CarbonylContact O-C 3.55Å; T397-W408 WeakPolarHBondContact O-CA 3.41Å; T397-W408 WeakPolarHBondContact O-CB 3.19Å; A406-W408 VanDerWaalsContact C-N 3.28Å; A406-W408 WeakPolarHBondContact CB-O 3.29Å; A406-W408 PolarHBondContact O-N 2.91Å; W408-V410 HydrophobicContact CE3-CG2 3.88Å; W408-V410 HydrophobicContact CZ3-CG2 3.41Å; W408-V410 VanDerWaalsContact CZ3-CG2 3.41Å; W408-A425 HydrophobicContact CD2-CB 3.35Å; W408-A425 HydrophobicContact CE3-CB 3.59Å; W408-A425 HydrophobicContact CG-CB 3.86Å; W408-A425 HydrophobicContact CH2-CB 3.8Å; W408-A425 HydrophobicContact CZ2-CB 3.6Å; W408-A425 HydrophobicContact CZ3-CB 3.78Å; W408-A425 WeakPolarHBondContact O-CB 3.36Å; W408-A425 PolarHBondContact O-N 2.81Å; W408-A425 VanDerWaalsContact O-N 3.09Å; W408-L428 HydrophobicContact CH2-CD1 3.89Å; W408-L428 HydrophobicContact CH2-CD2 4.34Å; W408-L428 HydrophobicContact CZ3-CD2 4.26Å
409	Y	93.9	Very high	86.9	Confident	12 Å²	12	34.1 Å²	34.1	5%	0.047	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.8	-177.6	-58.4	-98.1	0	0	0	110.1	L396 T397 F400 A406 W423 I432	L396-Y409 WeakPolarHBondContact CA-O 3.26Å; T397-Y409 PolarHBondContact N-O 3.17Å; T397-Y409 VanDerWaalsContact N-O 3.07Å; T397-Y409 PolarHBondContact O-N 2.73Å; F400-Y409 HydrophobicContact CB-CD1 3.83Å; F400-Y409 HydrophobicContact CB-CD2 3.15Å; F400-Y409 HydrophobicContact CB-CE1 3.93Å; F400-Y409 HydrophobicContact CB-CE2 3.27Å; F400-Y409 HydrophobicContact CB-CG 3.43Å; F400-Y409 VanDerWaalsContact CB-CG 3.43Å; F400-Y409 AromaticContact CD1-CD1 3.77Å; F400-Y409 HydrophobicContact CD1-CD1 3.77Å; F400-Y409 AromaticContact CD1-CE1 3.77Å; F400-Y409 HydrophobicContact CD1-CE1 3.77Å; F400-Y409 HydrophobicContact CD1-CG 4.2Å; F400-Y409 HydrophobicContact CD2-CG 4.44Å; F400-Y409 AromaticContact CG-CD1 3.88Å; F400-Y409 HydrophobicContact CG-CD1 3.88Å; F400-Y409 HydrophobicContact CG-CD2 4.06Å; F400-Y409 HydrophobicContact CG-CE1 4.15Å; F400-Y409 HydrophobicContact CG-CE2 4.32Å; F400-Y409 AromaticContact CG-CG 3.81Å; F400-Y409 HydrophobicContact CG-CG 3.81Å; A406-Y409 HydrophobicContact CB-CD1 4.18Å; A406-Y409 HydrophobicContact CB-CD2 4.18Å; A406-Y409 HydrophobicContact CB-CE1 3.57Å; A406-Y409 HydrophobicContact CB-CE2 3.57Å; A406-Y409 HydrophobicContact CB-CG 4.47Å; A406-Y409 WeakPolarHBondContact CB-OH 3.3Å; A406-Y409 PolarHBondContact N-OH 2.8Å; A406-Y409 VanDerWaalsContact N-OH 3.11Å; Y409-W423 VanDerWaalsContact CA-O 3.29Å; Y409-W423 WeakPolarHBondContact CA-O 3.5Å; Y409-I432 HydrophobicContact CD1-CD1 3.91Å; Y409-I432 HydrophobicContact CE1-CD1 3.96Å
410	V	95.5	Very high	87.3	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.6	178.8	-165.1	0	0	0	0	109	I373 L384 V394 L396 W408 V412 V422 W423 L428	I373-V410 HydrophobicContact CD1-CG2 3.68Å; L384-V410 HydrophobicContact CD1-CG1 4.37Å; V394-V410 HydrophobicContact CG1-CG1 4.21Å; L396-V410 HydrophobicContact CD2-CB 4.12Å; L396-V410 HydrophobicContact CD2-CG1 3.96Å; L396-V410 HydrophobicContact CD2-CG2 3.68Å; W408-V410 HydrophobicContact CE3-CG2 3.88Å; W408-V410 HydrophobicContact CZ3-CG2 3.41Å; W408-V410 VanDerWaalsContact CZ3-CG2 3.41Å; V410-V412 HydrophobicContact CG1-CG2 3.86Å; V410-V422 CarbonylContact O-C 3.56Å; V410-V422 VanDerWaalsContact O-CA 3.29Å; V410-V422 WeakPolarHBondContact O-CA 3.38Å; V410-W423 HydrophobicContact CB-CB 4.27Å; V410-W423 HydrophobicContact CB-CE3 4.29Å; V410-W423 HydrophobicContact CG2-CB 4.47Å; V410-W423 PolarHBondContact N-O 3.4Å; V410-W423 PolarHBondContact O-N 3.25Å; V410-L428 HydrophobicContact CG2-CD2 4.23Å
411	L	96.5	Very high	87.9	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.8	173.5	-61	95	0	0	0	109.1	V394 M395 T397 F400 F421 V422 F447 V449 L456	V394-L411 WeakPolarHBondContact CA-O 3.29Å; M395-L411 HydrophobicContact CB-CB 4.43Å; M395-L411 PolarHBondContact N-O 3.34Å; M395-L411 PolarHBondContact O-N 2.82Å; T397-L411 HydrophobicContact CG2-CD1 3.7Å; F400-L411 HydrophobicContact CE2-CD2 4.17Å; L411-F421 WeakPolarHBondContact CA-O 3.3Å; L411-V422 HydrophobicContact CD2-CG2 4.12Å; L411-V422 HydrophobicContact CG-CG1 4.47Å; L411-V422 HydrophobicContact CG-CG2 4.22Å; L411-F447 HydrophobicContact CB-CE2 3.59Å; L411-F447 HydrophobicContact CB-CZ 4.01Å; L411-F447 HydrophobicContact CD2-CE2 4.44Å; L411-V449 HydrophobicContact CD1-CG2 4.43Å; L411-V449 HydrophobicContact CD2-CG2 3.99Å; L411-L456 HydrophobicContact CD2-CD1 3.15Å
412	V	97.5	Very high	88.6	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	129.5	-175	-173.2	0	0	0	0	109.8	V371 H387 V391 V394 V410 I420 F421 W423	V371-V412 HydrophobicContact CG1-CG2 4.43Å; V371-V412 HydrophobicContact CG2-CB 4.48Å; V371-V412 HydrophobicContact CG2-CG1 3.7Å; V371-V412 HydrophobicContact CG2-CG2 3.91Å; H387-V412 PolarHBondContact NE2-O 2.8Å; V391-V412 HydrophobicContact CB-CG1 4.42Å; V391-V412 HydrophobicContact CG1-CG1 3.48Å; V391-V412 VanDerWaalsContact CG1-CG1 3.48Å; V391-V412 HydrophobicContact CG2-CG1 4.12Å; V394-V412 HydrophobicContact CG2-CG1 4.23Å; V394-V412 HydrophobicContact CG2-CG2 4.27Å; V410-V412 HydrophobicContact CG1-CG2 3.86Å; V412-I420 CarbonylContact O-C 3.53Å; V412-I420 VanDerWaalsContact O-CA 3.32Å; V412-I420 WeakPolarHBondContact O-CA 3.34Å; V412-F421 PolarHBondContact N-O 2.79Å; V412-F421 PolarHBondContact O-N 3.34Å; V412-W423 HydrophobicContact CB-CH2 4.29Å; V412-W423 HydrophobicContact CB-CZ3 3.7Å; V412-W423 HydrophobicContact CG2-CE3 4.09Å; V412-W423 HydrophobicContact CG2-CH2 4.18Å; V412-W423 HydrophobicContact CG2-CZ3 3.37Å
413	G	96.2	Very high	89.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147.2	170.7	0	0	0	0	0	111.6	H387 T392 Q393	H387-G413 VanDerWaalsContact NE2-C 3.28Å; T392-G413 PolarHBondContact N-O 2.86Å; T392-G413 PolarHBondContact OG1-O 2.81Å; T392-G413 VanDerWaalsContact OG1-O 3.14Å; Q393-G413 PolarHBondContact N-O 3.14Å; Q393-G413 PolarHBondContact O-N 3.22Å
414	G	94.3	Very high	90.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	166.5	-179.5	0	0	0	0	0	113.8	H387 G390	H387-G414 VanDerWaalsContact CD2-CA 3.48Å; H387-G414 WeakPolarHBondContact CD2-CA 3.4Å; H387-G414 PolarHBondContact CD2-N 3.09Å; H387-G414 PolarHBondContact CE1-N 2.82Å; H387-G414 PolarHBondContact NE2-N 3.14Å; H387-G414 VanDerWaalsContact NE2-N 3.13Å; G390-G414 VanDerWaalsContact O-CA 3.26Å; G390-G414 WeakPolarHBondContact O-CA 3.47Å
415	R	92.7	Very high	91.9	Very high	67 Å²	67	20.9 Å²	20.9	25%	0.253	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	147.2	168.2	61.4	-173.4	-169.9	109.6	13.2	110.2	Y389 G390 T392 D417 H442	Y389-R415 WeakPolarHBondContact CB-O 3.39Å; Y389-R415 PolarHBondContact O-NE 3.45Å; Y389-R415 PolarHBondContact O-NH2 3.07Å; G390-R415 PolarHBondContact O-N 3.41Å; G390-R415 VanDerWaalsContact O-N 3.08Å; T392-R415 HydrophobicContact CG2-CB 3.55Å; T392-R415 HydrophobicContact CG2-CG 4.36Å; R415-D417 PolarHBondContact O-N 3.11Å; R415-H442 PolarHBondContact NH1-ND1 3.36Å; R415-H442 VanDerWaalsContact NH1-ND1 3.12Å
416	M	91.3	Very high	92.7	Very high	68 Å²	68	28.1 Å²	28.1	34%	0.335	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	24.6	-175	-54.2	-74.4	-72.3	0	0	113	Y389 E440 N441 H442	Y389-M416 HydrophobicContact CD2-CB 4.12Å; Y389-M416 HydrophobicContact CG-CB 4.3Å; M416-E440 WeakPolarHBondContact CE-O 3.43Å; M416-N441 PolarHBondContact N-O 3.36Å; M416-N441 VanDerWaalsContact N-O 3.11Å; M416-N441 WeakPolarHBondContact SD-CA 3.44Å; M416-N441 VanDerWaalsContact SD-O 3.35Å; M416-H442 WeakPolarHBondContact CG-CE1 3.47Å; M416-H442 WeakPolarHBondContact CG-ND1 3.38Å
417	D	92.1	Very high	93.1	Very high	13 Å²	13	32 Å²	32	7%	0.07	15%	0.148	C	C	.	.			trans	-131.6	126.1	-178.9	-161.2	-22.3	0	0	0	107.8	H387 R415 R419	H387-D417 IonicContact CE1-OD2 2.97Å; H387-D417 IonicContact CG-OD2 3.15Å; H387-D417 VanDerWaalsContact ND1-CG 3.25Å; H387-D417 IonicContact ND1-OD2 3.99Å; H387-D417 PolarHBondContact ND1-OD2 3.11Å; R415-D417 PolarHBondContact O-N 3.11Å; D417-R419 PolarHBondContact O-N 3.5Å; D417-R419 WeakPolarHBondContact OD1-CB 3.41Å; D417-R419 IonicContact OD1-CZ 3.65Å; D417-R419 PolarHBondContact OD1-N 3.23Å; D417-R419 VanDerWaalsContact OD1-N 3.16Å; D417-R419 IonicContact OD1-NE 3.82Å; D417-R419 PolarHBondContact OD1-NE 3.33Å; D417-R419 IonicContact OD1-NH2 2.79Å; D417-R419 PolarHBondContact OD1-NH2 3.32Å; D417-R419 IonicContact OD2-CZ 2.77Å; D417-R419 IonicContact OD2-NE 3.69Å; D417-R419 IonicContact OD2-NH2 3.65Å; D417-R419 PolarHBondContact OD2-NH2 3.09Å
418	S	91.7	Very high	93.3	Very high	34 Å²	34	31.6 Å²	31.6	24%	0.238	14%	0.144	C	C	.	.			trans	-86.3	8.9	-176.9	-67.8	0	0	0	0	112.5	H436 R437 I439	S418-H436 CarbonylContact O-C 3.51Å; S418-H436 VanDerWaalsContact O-CA 3.27Å; S418-H436 WeakPolarHBondContact O-CA 3.31Å; S418-R437 CarbonylContact C-O 3.59Å; S418-R437 WeakPolarHBondContact CA-O 3.48Å; S418-R437 WeakPolarHBondContact CB-O 3.26Å; S418-R437 PolarHBondContact O-N 3.13Å; S418-R437 PolarHBondContact OG-O 3.35Å; S418-I439 PolarHBondContact OG-N 2.95Å; S418-I439 PolarHBondContact OG-O 2.74Å
419	R	92.7	Very high	93.2	Very high	85 Å²	85	36.4 Å²	36.4	32%	0.321	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	144.9	-178.3	-66	171.1	-63.8	177.1	8	111.4	H387 D417 F421 I434 L435	H387-R419 PolarHBondContact CE1-O 2.92Å; D417-R419 PolarHBondContact O-N 3.5Å; D417-R419 WeakPolarHBondContact OD1-CB 3.41Å; D417-R419 IonicContact OD1-CZ 3.65Å; D417-R419 PolarHBondContact OD1-N 3.23Å; D417-R419 VanDerWaalsContact OD1-N 3.16Å; D417-R419 IonicContact OD1-NE 3.82Å; D417-R419 PolarHBondContact OD1-NE 3.33Å; D417-R419 IonicContact OD1-NH2 2.79Å; D417-R419 PolarHBondContact OD1-NH2 3.32Å; D417-R419 IonicContact OD2-CZ 2.77Å; D417-R419 IonicContact OD2-NE 3.69Å; D417-R419 IonicContact OD2-NH2 3.65Å; D417-R419 PolarHBondContact OD2-NH2 3.09Å; R419-F421 HydrophobicContact CB-CE2 4.21Å; R419-I434 HydrophobicContact CB-CG2 3.69Å; R419-I434 HydrophobicContact CG-CG2 3.68Å; R419-L435 CarbonylContact C-O 3.54Å; R419-L435 WeakPolarHBondContact CA-O 3.42Å
420	I	94.7	Very high	92.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.7	161.9	-62.4	173.3	0	0	0	106.2	V412 I434 L435 R437 F447 L456 T458	V412-I420 CarbonylContact O-C 3.53Å; V412-I420 VanDerWaalsContact O-CA 3.32Å; V412-I420 WeakPolarHBondContact O-CA 3.34Å; I420-I434 WeakPolarHBondContact O-CA 3.24Å; I420-L435 HydrophobicContact CB-CB 4.24Å; I420-L435 PolarHBondContact N-O 3.16Å; I420-L435 PolarHBondContact O-N 3.49Å; I420-R437 HydrophobicContact CG1-CG 4.5Å; I420-F447 HydrophobicContact CD1-CB 4.15Å; I420-F447 HydrophobicContact CD1-CD1 3.94Å; I420-F447 HydrophobicContact CD1-CG 4.04Å; I420-F447 HydrophobicContact CG1-CD1 4.41Å; I420-F447 HydrophobicContact CG2-CZ 4.47Å; I420-L456 HydrophobicContact CD1-CD2 4.22Å; I420-T458 HydrophobicContact CD1-CG2 4.11Å
421	F	95.1	Very high	92.7	Very high	19 Å²	19	42.8 Å²	42.8	8%	0.083	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	140.7	177.5	-68.9	-88.5	0	0	0	110.6	S386 H387 L411 V412 R419 W423 P431 I434	S386-F421 WeakPolarHBondContact O-CE2 3.3Å; S386-F421 WeakPolarHBondContact O-CZ 3.43Å; H387-F421 AromaticContact CE1-CD2 3.32Å; H387-F421 WeakPolarHBondContact CE1-CD2 3.36Å; H387-F421 AromaticContact CE1-CE2 3.43Å; H387-F421 VanDerWaalsContact CE1-CE2 3.43Å; H387-F421 WeakPolarHBondContact CE1-CE2 3.48Å; H387-F421 AromaticContact ND1-CD2 3.97Å; H387-F421 AromaticContact ND1-CE2 3.63Å; H387-F421 AromaticContact NE2-CD2 3.59Å; L411-F421 WeakPolarHBondContact CA-O 3.3Å; V412-F421 PolarHBondContact N-O 2.79Å; V412-F421 PolarHBondContact O-N 3.34Å; R419-F421 HydrophobicContact CB-CE2 4.21Å; F421-W423 HydrophobicContact CB-CE3 3.97Å; F421-W423 HydrophobicContact CB-CH2 3.01Å; F421-W423 HydrophobicContact CB-CZ2 3.79Å; F421-W423 HydrophobicContact CB-CZ3 3.11Å; F421-W423 HydrophobicContact CD1-CH2 4.22Å; F421-W423 HydrophobicContact CD1-CZ2 4.31Å; F421-W423 HydrophobicContact CD2-CH2 4.18Å; F421-W423 AromaticContact CG-CH2 3.6Å; F421-W423 HydrophobicContact CG-CH2 3.6Å; F421-W423 HydrophobicContact CG-CZ2 4.15Å; F421-W423 HydrophobicContact CG-CZ3 4.19Å; F421-W423 WeakPolarHBondContact O-CZ3 3.21Å; F421-P431 HydrophobicContact CD1-CB 3.99Å; F421-P431 HydrophobicContact CD1-CG 3.9Å; F421-P431 HydrophobicContact CE1-CG 4.38Å; F421-I434 HydrophobicContact CD1-CD1 3.96Å; F421-I434 HydrophobicContact CD1-CG1 3.81Å; F421-I434 HydrophobicContact CE1-CD1 3.62Å; F421-I434 HydrophobicContact CE1-CG1 4Å
422	V	94.2	Very high	92.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.9	176.6	-177.4	0	0	0	0	109.9	F400 V410 L411 P431 I432 T433 L435	F400-V422 HydrophobicContact CE1-CG1 3.93Å; F400-V422 HydrophobicContact CE2-CG1 3.79Å; F400-V422 HydrophobicContact CE2-CG2 4.47Å; F400-V422 HydrophobicContact CZ-CB 4.36Å; F400-V422 HydrophobicContact CZ-CG1 3.46Å; F400-V422 VanDerWaalsContact CZ-CG1 3.46Å; F400-V422 HydrophobicContact CZ-CG2 4.25Å; V410-V422 CarbonylContact O-C 3.56Å; V410-V422 VanDerWaalsContact O-CA 3.29Å; V410-V422 WeakPolarHBondContact O-CA 3.38Å; L411-V422 HydrophobicContact CD2-CG2 4.12Å; L411-V422 HydrophobicContact CG-CG1 4.47Å; L411-V422 HydrophobicContact CG-CG2 4.22Å; V422-P431 CarbonylContact O-C 3.45Å; V422-P431 WeakPolarHBondContact O-CA 3.27Å; V422-P431 WeakPolarHBondContact O-CB 3.16Å; V422-I432 HydrophobicContact CG1-CD1 4.49Å; V422-I432 PolarHBondContact O-N 3.13Å; V422-T433 HydrophobicContact CB-CG2 3.92Å; V422-T433 HydrophobicContact CG2-CG2 4Å; V422-T433 PolarHBondContact N-O 2.93Å; V422-T433 VanDerWaalsContact N-O 3.1Å; V422-L435 HydrophobicContact CG2-CD1 4.41Å
423	W	93.5	Very high	92	Very high	6 Å²	6	45.5 Å²	45.5	2%	0.023	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	149.8	174.4	-67.3	-96.9	0	0	0	112.7	L384 Y409 V410 V412 F421 L428 P431	L384-W423 HydrophobicContact CD1-CD2 3.91Å; L384-W423 HydrophobicContact CD1-CE3 4.14Å; L384-W423 HydrophobicContact CD1-CG 4.18Å; Y409-W423 VanDerWaalsContact CA-O 3.29Å; Y409-W423 WeakPolarHBondContact CA-O 3.5Å; V410-W423 HydrophobicContact CB-CB 4.27Å; V410-W423 HydrophobicContact CB-CE3 4.29Å; V410-W423 HydrophobicContact CG2-CB 4.47Å; V410-W423 PolarHBondContact N-O 3.4Å; V410-W423 PolarHBondContact O-N 3.25Å; V412-W423 HydrophobicContact CB-CH2 4.29Å; V412-W423 HydrophobicContact CB-CZ3 3.7Å; V412-W423 HydrophobicContact CG2-CE3 4.09Å; V412-W423 HydrophobicContact CG2-CH2 4.18Å; V412-W423 HydrophobicContact CG2-CZ3 3.37Å; F421-W423 HydrophobicContact CB-CE3 3.97Å; F421-W423 HydrophobicContact CB-CH2 3.01Å; F421-W423 HydrophobicContact CB-CZ2 3.79Å; F421-W423 HydrophobicContact CB-CZ3 3.11Å; F421-W423 HydrophobicContact CD1-CH2 4.22Å; F421-W423 HydrophobicContact CD1-CZ2 4.31Å; F421-W423 HydrophobicContact CD2-CH2 4.18Å; F421-W423 AromaticContact CG-CH2 3.6Å; F421-W423 HydrophobicContact CG-CH2 3.6Å; F421-W423 HydrophobicContact CG-CZ2 4.15Å; F421-W423 HydrophobicContact CG-CZ3 4.19Å; F421-W423 WeakPolarHBondContact O-CZ3 3.21Å; W423-L428 HydrophobicContact CB-CD2 3.99Å; W423-P431 HydrophobicContact CD2-CB 4.43Å; W423-P431 HydrophobicContact CZ2-CB 4.43Å
424	D	92.1	Very high	91.8	Very high	31 Å²	31	48.2 Å²	48.2	17%	0.166	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	134.5	166.5	-166.5	-44.4	0	0	0	108.6	A406 R426 N427 L428 I432	A406-D424 VanDerWaalsContact CB-CG 3.44Å; A406-D424 WeakPolarHBondContact CB-OD1 3.34Å; D424-R426 PolarHBondContact O-N 3.28Å; D424-R426 VanDerWaalsContact OD1-CB 3.27Å; D424-R426 WeakPolarHBondContact OD1-CB 3.28Å; D424-R426 WeakPolarHBondContact OD1-CG 3.48Å; D424-R426 PolarHBondContact OD1-N 2.85Å; D424-N427 CarbonylContact O-C 3.57Å; D424-N427 PolarHBondContact O-N 2.84Å; D424-N427 VanDerWaalsContact O-N 3.11Å; D424-N427 VanDerWaalsContact O-O 3.09Å; D424-L428 WeakPolarHBondContact O-CD2 3.27Å; D424-L428 WeakPolarHBondContact O-CG 3.36Å; D424-I432 HydrophobicContact CB-CD1 3.55Å; D424-I432 HydrophobicContact CB-CG1 3.84Å
425	A	91.2	Very high	91.7	Very high	17 Å²	17	48.2 Å²	48.2	14%	0.14	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.3	171.5	0	0	0	0	0	114.8	P407 W408	P407-A425 HydrophobicContact CG-CB 3.69Å; W408-A425 HydrophobicContact CD2-CB 3.35Å; W408-A425 HydrophobicContact CE3-CB 3.59Å; W408-A425 HydrophobicContact CG-CB 3.86Å; W408-A425 HydrophobicContact CH2-CB 3.8Å; W408-A425 HydrophobicContact CZ2-CB 3.6Å; W408-A425 HydrophobicContact CZ3-CB 3.78Å; W408-A425 WeakPolarHBondContact O-CB 3.36Å; W408-A425 PolarHBondContact O-N 2.81Å; W408-A425 VanDerWaalsContact O-N 3.09Å
426	R	90.5	Very high	91.6	Very high	182 Å²	182	47.6 Å²	47.6	69%	0.687	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-30.3	178	-63.4	175.3	169.7	178.1	-2.1	112.2	G405 D424	G405-R426 PolarHBondContact O-NH1 2.59Å; G405-R426 PolarHBondContact O-NH2 3.06Å; D424-R426 PolarHBondContact O-N 3.28Å; D424-R426 VanDerWaalsContact OD1-CB 3.27Å; D424-R426 WeakPolarHBondContact OD1-CB 3.28Å; D424-R426 WeakPolarHBondContact OD1-CG 3.48Å; D424-R426 PolarHBondContact OD1-N 2.85Å
427	N	90.3	Very high	91.6	Very high	84 Å²	84	44.3 Å²	44.3	45%	0.449	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-136.2	89.9	178.8	-175	9.7	0	0	0	110.8	D424 V429	D424-N427 CarbonylContact O-C 3.57Å; D424-N427 PolarHBondContact O-N 2.84Å; D424-N427 VanDerWaalsContact O-N 3.11Å; D424-N427 VanDerWaalsContact O-O 3.09Å; N427-V429 VanDerWaalsContact C-N 3.3Å; N427-V429 PolarHBondContact O-N 2.88Å; N427-V429 WeakPolarHBondContact OD1-CB 3.32Å; N427-V429 PolarHBondContact OD1-N 3.29Å
428	L	91.5	Very high	91.6	Very high	29 Å²	29	43.7 Å²	43.7	15%	0.152	22%	0.221	C	C	.	.			trans	-90	9.2	-179.1	-69.1	167	0	0	0	112.8	I373 T382 L384 W408 V410 W423 D424	I373-L428 HydrophobicContact CD1-CD1 4.36Å; I373-L428 HydrophobicContact CD1-CD2 4.09Å; T382-L428 HydrophobicContact CG2-CB 4.18Å; T382-L428 HydrophobicContact CG2-CD1 3.55Å; T382-L428 HydrophobicContact CG2-CG 4.31Å; L384-L428 HydrophobicContact CD1-CD2 4.44Å; L384-L428 HydrophobicContact CD2-CB 3.93Å; L384-L428 HydrophobicContact CD2-CD2 4.27Å; L384-L428 WeakPolarHBondContact CD2-O 3.23Å; W408-L428 HydrophobicContact CH2-CD1 3.89Å; W408-L428 HydrophobicContact CH2-CD2 4.34Å; W408-L428 HydrophobicContact CZ3-CD2 4.26Å; V410-L428 HydrophobicContact CG2-CD2 4.23Å; W423-L428 HydrophobicContact CB-CD2 3.99Å; D424-L428 WeakPolarHBondContact O-CD2 3.27Å; D424-L428 WeakPolarHBondContact O-CG 3.36Å
429	V	89.5	Confident	91.6	Very high	117 Å²	117	42.2 Å²	42.2	71%	0.709	21%	0.211	S	C	*	.	S	Bend	trans	-80	-51.4	180	-178.8	0	0	0	0	110.7	N427	N427-V429 VanDerWaalsContact C-N 3.3Å; N427-V429 PolarHBondContact O-N 2.88Å; N427-V429 WeakPolarHBondContact OD1-CB 3.32Å; N427-V429 PolarHBondContact OD1-N 3.29Å
430	N	88.7	Confident	91.5	Very high	105 Å²	105	40.2 Å²	40.2	56%	0.561	21%	0.205	S	C	*	.	S	Bend	trans	-119.4	144.9	-179.6	-67.8	-34.2	0	0	0	110.2
431	P	91.3	Very high	91.3	Very high	41 Å²	41	41.2 Å²	41.2	27%	0.266	21%	0.21	S	C	.	.			trans	-64.1	143.1	170.9	29.7	-34.9	0	0	0	110.2	F421 V422 W423 I434	F421-P431 HydrophobicContact CD1-CB 3.99Å; F421-P431 HydrophobicContact CD1-CG 3.9Å; F421-P431 HydrophobicContact CE1-CG 4.38Å; V422-P431 CarbonylContact O-C 3.45Å; V422-P431 WeakPolarHBondContact O-CA 3.27Å; V422-P431 WeakPolarHBondContact O-CB 3.16Å; W423-P431 HydrophobicContact CD2-CB 4.43Å; W423-P431 HydrophobicContact CZ2-CB 4.43Å; P431-I434 HydrophobicContact CG-CD1 4.5Å; P431-I434 HydrophobicContact CG-CG1 4.4Å
432	I	89.6	Confident	91.1	Very high	42 Å²	42	45.9 Å²	45.9	22%	0.215	23%	0.232	C	C	.	.	S	Bend	trans	-66.1	-47.2	173.7	-51.5	173.4	0	0	0	109.6	Y409 V422 D424 I474 F477	Y409-I432 HydrophobicContact CD1-CD1 3.91Å; Y409-I432 HydrophobicContact CE1-CD1 3.96Å; V422-I432 HydrophobicContact CG1-CD1 4.49Å; V422-I432 PolarHBondContact O-N 3.13Å; D424-I432 HydrophobicContact CB-CD1 3.55Å; D424-I432 HydrophobicContact CB-CG1 3.84Å; I432-I474 HydrophobicContact CG2-CG1 4.21Å; I432-I474 HydrophobicContact CG2-CG2 4.1Å; I432-F477 WeakPolarHBondContact O-CE2 3.47Å
433	T	89.4	Confident	91	Very high	15 Å²	15	47.4 Å²	47.4	9%	0.092	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	159.6	-175.4	-168.8	0	0	0	0	110.1	V422 L435 C473	V422-T433 HydrophobicContact CB-CG2 3.92Å; V422-T433 HydrophobicContact CG2-CG2 4Å; V422-T433 PolarHBondContact N-O 2.93Å; V422-T433 VanDerWaalsContact N-O 3.1Å; T433-L435 HydrophobicContact CG2-CD2 4.38Å; T433-C473 PolarHBondContact OG1-O 2.9Å
434	I	91.2	Very high	91	Very high	57 Å²	57	49.9 Å²	49.9	29%	0.292	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	118.8	178.3	-58.2	176.2	0	0	0	107.3	R419 I420 F421 P431	R419-I434 HydrophobicContact CB-CG2 3.69Å; R419-I434 HydrophobicContact CG-CG2 3.68Å; I420-I434 WeakPolarHBondContact O-CA 3.24Å; F421-I434 HydrophobicContact CD1-CD1 3.96Å; F421-I434 HydrophobicContact CD1-CG1 3.81Å; F421-I434 HydrophobicContact CE1-CD1 3.62Å; F421-I434 HydrophobicContact CE1-CG1 4Å; P431-I434 HydrophobicContact CG-CD1 4.5Å; P431-I434 HydrophobicContact CG-CG1 4.4Å
435	L	92.1	Very high	91.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	147.1	177	-49	174.1	0	0	0	109.5	R419 I420 V422 T433 L456 Y468 L470 C473 T483	R419-L435 CarbonylContact C-O 3.54Å; R419-L435 WeakPolarHBondContact CA-O 3.42Å; I420-L435 HydrophobicContact CB-CB 4.24Å; I420-L435 PolarHBondContact N-O 3.16Å; I420-L435 PolarHBondContact O-N 3.49Å; V422-L435 HydrophobicContact CG2-CD1 4.41Å; T433-L435 HydrophobicContact CG2-CD2 4.38Å; L435-L456 HydrophobicContact CD1-CD1 3.99Å; L435-L456 HydrophobicContact CD1-CD2 4.03Å; L435-L456 HydrophobicContact CD1-CG 4.43Å; L435-Y468 HydrophobicContact CB-CD1 4.47Å; L435-Y468 HydrophobicContact CB-CD2 4.38Å; L435-Y468 HydrophobicContact CB-CE1 4.27Å; L435-Y468 HydrophobicContact CB-CE2 4.15Å; L435-Y468 HydrophobicContact CD1-CD2 4.02Å; L435-Y468 HydrophobicContact CD1-CG 4.07Å; L435-Y468 HydrophobicContact CD2-CD1 3.96Å; L435-Y468 HydrophobicContact CD2-CE1 4.44Å; L435-Y468 HydrophobicContact CD2-CG 4.12Å; L435-Y468 HydrophobicContact CG-CG 4.47Å; L435-L470 HydrophobicContact CD1-CD2 4.07Å; L435-C473 HydrophobicContact CD2-CB 3.99Å; L435-T483 HydrophobicContact CD2-CG2 4.01Å
436	H	90.9	Very high	91.4	Very high	54 Å²	54	49.7 Å²	49.7	25%	0.25	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.6	-169	-77.7	-93.7	0	0	0	114.1	S418 Y468 T578	S418-H436 CarbonylContact O-C 3.51Å; S418-H436 VanDerWaalsContact O-CA 3.27Å; S418-H436 WeakPolarHBondContact O-CA 3.31Å; H436-Y468 VanDerWaalsContact C-OH 3.27Å; H436-Y468 PolarHBondContact O-OH 2.76Å; H436-T578 HydrophobicContact CB-CG2 4.44Å
437	R	92	Very high	91.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.			trans	-126.1	144.5	176.3	63.1	-177.4	178.7	166	8.8	111	S418 I420 I439 F445 T458	S418-R437 CarbonylContact C-O 3.59Å; S418-R437 WeakPolarHBondContact CA-O 3.48Å; S418-R437 WeakPolarHBondContact CB-O 3.26Å; S418-R437 PolarHBondContact O-N 3.13Å; S418-R437 PolarHBondContact OG-O 3.35Å; I420-R437 HydrophobicContact CG1-CG 4.5Å; R437-I439 HydrophobicContact CG-CD1 3.79Å; R437-I439 HydrophobicContact CG-CG1 4.2Å; R437-I439 VanDerWaalsContact CZ-CD1 3.46Å; R437-I439 PolarHBondContact O-N 2.88Å; R437-F445 PolarHBondContact NH1-O 2.92Å; R437-F445 PolarHBondContact NH2-O 2.84Å; R437-T458 HydrophobicContact CB-CG2 3.9Å; R437-T458 WeakPolarHBondContact CD-OG1 3.5Å; R437-T458 PolarHBondContact NH1-OG1 3.04Å
438	R	91	Very high	92	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.			trans	-80.5	110.3	-176.5	-171.9	159.6	175.3	-160.3	-2.6	113.1	E440 Q461 T462 L576 M577 A606 L611	R438-E440 IonicContact CZ-OE1 2.88Å; R438-E440 IonicContact NE-OE1 2.74Å; R438-E440 PolarHBondContact NE-OE1 3.13Å; R438-E440 VanDerWaalsContact NE-OE1 3.1Å; R438-E440 IonicContact NH2-OE1 3.73Å; R438-E440 PolarHBondContact NH2-OE1 3.42Å; R438-Q461 WeakPolarHBondContact O-CB 3.28Å; R438-Q461 PolarHBondContact O-N 3.37Å; R438-T462 HydrophobicContact CB-CG2 4.34Å; R438-T462 HydrophobicContact CG-CG2 4.06Å; R438-L576 WeakPolarHBondContact CD-O 3.32Å; R438-M577 HydrophobicContact CB-SD 3.85Å; R438-M577 PolarHBondContact N-SD 3Å; R438-M577 VanDerWaalsContact N-SD 3.41Å; R438-A606 VanDerWaalsContact CZ-O 3.3Å; R438-A606 PolarHBondContact NH1-O 2.68Å; R438-A606 VanDerWaalsContact NH1-O 3.09Å; R438-A606 PolarHBondContact NH2-O 2.76Å; R438-L611 HydrophobicContact CG-CD1 4.41Å
439	I	92.1	Very high	92.2	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.015	20%	0.196	C	C	.	.			trans	-138.5	124.3	178.2	-62.7	171.3	0	0	0	110.4	S418 R437 F445	S418-I439 PolarHBondContact OG-N 2.95Å; S418-I439 PolarHBondContact OG-O 2.74Å; R437-I439 HydrophobicContact CG-CD1 3.79Å; R437-I439 HydrophobicContact CG-CG1 4.2Å; R437-I439 VanDerWaalsContact CZ-CD1 3.46Å; R437-I439 PolarHBondContact O-N 2.88Å; I439-F445 HydrophobicContact CB-CD2 4.44Å; I439-F445 HydrophobicContact CB-CE2 4.41Å; I439-F445 HydrophobicContact CD1-CB 3.65Å; I439-F445 HydrophobicContact CD1-CD1 4.36Å; I439-F445 HydrophobicContact CD1-CD2 3.54Å; I439-F445 HydrophobicContact CD1-CE2 4.28Å; I439-F445 HydrophobicContact CD1-CG 3.59Å; I439-F445 HydrophobicContact CG1-CD1 4.38Å; I439-F445 HydrophobicContact CG1-CD2 3.76Å; I439-F445 HydrophobicContact CG1-CE2 4Å; I439-F445 HydrophobicContact CG1-CG 3.97Å; I439-F445 HydrophobicContact CG1-CZ 4.44Å; I439-F445 HydrophobicContact CG2-CD2 3.81Å; I439-F445 HydrophobicContact CG2-CE2 3.68Å
440	E	90.7	Very high	92.3	Very high	43 Å²	43	33.3 Å²	33.3	20%	0.201	17%	0.167	C	C	.	.			trans	-128.1	6.6	-177.9	-57.1	176.3	-167.5	0	0	112.6	M416 R438 G609 L611	M416-E440 WeakPolarHBondContact CE-O 3.43Å; R438-E440 IonicContact CZ-OE1 2.88Å; R438-E440 IonicContact NE-OE1 2.74Å; R438-E440 PolarHBondContact NE-OE1 3.13Å; R438-E440 VanDerWaalsContact NE-OE1 3.1Å; R438-E440 IonicContact NH2-OE1 3.73Å; R438-E440 PolarHBondContact NH2-OE1 3.42Å; E440-G609 PolarHBondContact OE2-N 3.38Å; E440-L611 HydrophobicContact CB-CD1 4.23Å; E440-L611 VanDerWaalsContact CD-CD1 3.46Å; E440-L611 HydrophobicContact CG-CD1 3.91Å
441	N	90.6	Very high	92.4	Very high	21 Å²	21	31.2 Å²	31.2	11%	0.112	16%	0.159	C	C	.	.	S	Bend	trans	-123.5	175.3	178.7	80.6	24.2	0	0	0	112.6	M416 Q443 F445 Q461	M416-N441 PolarHBondContact N-O 3.36Å; M416-N441 VanDerWaalsContact N-O 3.11Å; M416-N441 WeakPolarHBondContact SD-CA 3.44Å; M416-N441 VanDerWaalsContact SD-O 3.35Å; N441-Q443 PolarHBondContact ND2-OE1 3.3Å; N441-Q443 VanDerWaalsContact OD1-CB 3.23Å; N441-Q443 WeakPolarHBondContact OD1-CB 3.32Å; N441-Q443 WeakPolarHBondContact OD1-CG 2.91Å; N441-Q443 PolarHBondContact OD1-N 2.86Å; N441-F445 WeakPolarHBondContact OD1-CE2 3.35Å; N441-Q461 VanDerWaalsContact N-OE1 3.11Å; N441-Q461 VanDerWaalsContact ND2-CD 3.35Å; N441-Q461 PolarHBondContact ND2-NE2 3.15Å; N441-Q461 VanDerWaalsContact ND2-NE2 3.12Å
442	H	91	Very high	92.1	Very high	117 Å²	117	31.8 Å²	31.8	54%	0.542	16%	0.162	S	C	.	.	S	Bend	trans	-90.2	10.4	-177.8	-63.8	-66.9	0	0	0	114.6	R415 M416	R415-H442 PolarHBondContact NH1-ND1 3.36Å; R415-H442 VanDerWaalsContact NH1-ND1 3.12Å; M416-H442 WeakPolarHBondContact CG-CE1 3.47Å; M416-H442 WeakPolarHBondContact CG-ND1 3.38Å
443	Q	91.4	Very high	92.1	Very high	31 Å²	31	29.8 Å²	29.8	15%	0.145	15%	0.152	C	C	.	.	S	Bend	trans	-74.7	160	-179.8	-60.3	-174.1	-61.8	0	0	111.5	N441 F445	N441-Q443 PolarHBondContact ND2-OE1 3.3Å; N441-Q443 VanDerWaalsContact OD1-CB 3.23Å; N441-Q443 WeakPolarHBondContact OD1-CB 3.32Å; N441-Q443 WeakPolarHBondContact OD1-CG 2.91Å; N441-Q443 PolarHBondContact OD1-N 2.86Å; Q443-F445 HydrophobicContact CB-CE2 4.08Å
444	K	93.5	Very high	92	Very high	59 Å²	59	33.2 Å²	33.2	26%	0.257	16%	0.163	S	C	.	.			trans	-80.6	124.8	171.4	-65.9	-176.8	175.1	-176.5	0	108.1	Y247 S349 T392	Y247-K444 PolarHBondContact O-NZ 3.25Å; S349-K444 PolarHBondContact O-NZ 3Å; T392-K444 HydrophobicContact CG2-CG 4.35Å
445	F	95.7	Very high	92.1	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.009	15%	0.15	C	C	.	.			trans	-111.9	113.6	172.3	-74.3	-92.1	0	0	0	109	R437 I439 N441 Q443 S460 Q461 S494 T495 N496	R437-F445 PolarHBondContact NH1-O 2.92Å; R437-F445 PolarHBondContact NH2-O 2.84Å; I439-F445 HydrophobicContact CB-CD2 4.44Å; I439-F445 HydrophobicContact CB-CE2 4.41Å; I439-F445 HydrophobicContact CD1-CB 3.65Å; I439-F445 HydrophobicContact CD1-CD1 4.36Å; I439-F445 HydrophobicContact CD1-CD2 3.54Å; I439-F445 HydrophobicContact CD1-CE2 4.28Å; I439-F445 HydrophobicContact CD1-CG 3.59Å; I439-F445 HydrophobicContact CG1-CD1 4.38Å; I439-F445 HydrophobicContact CG1-CD2 3.76Å; I439-F445 HydrophobicContact CG1-CE2 4Å; I439-F445 HydrophobicContact CG1-CG 3.97Å; I439-F445 HydrophobicContact CG1-CZ 4.44Å; I439-F445 HydrophobicContact CG2-CD2 3.81Å; I439-F445 HydrophobicContact CG2-CE2 3.68Å; N441-F445 WeakPolarHBondContact OD1-CE2 3.35Å; Q443-F445 HydrophobicContact CB-CE2 4.08Å; F445-S460 VanDerWaalsContact CE1-C 3.5Å; F445-Q461 HydrophobicContact CE1-CB 4.12Å; F445-Q461 HydrophobicContact CZ-CB 3.65Å; F445-Q461 HydrophobicContact CZ-CG 4.08Å; F445-S494 WeakPolarHBondContact CE1-OG 3.45Å; F445-S494 WeakPolarHBondContact CZ-OG 3.27Å; F445-T495 WeakPolarHBondContact CD1-O 3.49Å; F445-T495 WeakPolarHBondContact CE1-O 3.32Å; F445-N496 WeakPolarHBondContact CA-O 3.4Å; F445-N496 HydrophobicContact CD1-CB 4.49Å
446	Q	96.8	Very high	92.2	Very high	42 Å²	42	30.8 Å²	30.8	20%	0.196	15%	0.15	C	C	.	.			trans	-73.2	141.9	178.3	-64.3	173.3	-35.4	0	0	110.4	G190 C191 Q393 G459 N496	G190-Q446 VanDerWaalsContact CA-OE1 3.23Å; C191-Q446 PolarHBondContact O-OE1 3.44Å; C191-Q446 VanDerWaalsContact O-OE1 3.1Å; Q393-Q446 VanDerWaalsContact OE1-CA 3.22Å; Q446-G459 PolarHBondContact O-N 3.15Å; Q446-N496 PolarHBondContact N-O 3.32Å
447	F	97.2	Very high	92.4	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	154.1	161.5	60.7	-93.8	0	0	0	108.2	Q393 M395 L411 I420 L456 F457	Q393-F447 HydrophobicContact CB-CE1 3.92Å; Q393-F447 HydrophobicContact CB-CZ 4.39Å; Q393-F447 HydrophobicContact CG-CE1 4.11Å; Q393-F447 HydrophobicContact CG-CZ 4.23Å; Q393-F447 PolarHBondContact NE2-O 3.42Å; M395-F447 HydrophobicContact CB-CE2 3.99Å; M395-F447 HydrophobicContact CB-CZ 4.49Å; M395-F447 HydrophobicContact SD-CE2 4.44Å; L411-F447 HydrophobicContact CB-CE2 3.59Å; L411-F447 HydrophobicContact CB-CZ 4.01Å; L411-F447 HydrophobicContact CD2-CE2 4.44Å; I420-F447 HydrophobicContact CD1-CB 4.15Å; I420-F447 HydrophobicContact CD1-CD1 3.94Å; I420-F447 HydrophobicContact CD1-CG 4.04Å; I420-F447 HydrophobicContact CG1-CD1 4.41Å; I420-F447 HydrophobicContact CG2-CZ 4.47Å; F447-L456 HydrophobicContact CB-CD2 4.43Å; F447-L456 HydrophobicContact CD2-CD1 4.14Å; F447-F457 CarbonylContact C-O 3.49Å; F447-F457 WeakPolarHBondContact CA-O 3.45Å; F447-F457 VanDerWaalsContact CB-O 3.27Å; F447-F457 WeakPolarHBondContact CB-O 3.33Å
448	D	96.6	Very high	92.6	Very high	30 Å²	30	28.2 Å²	28.2	16%	0.16	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.9	-178	-162.1	9.7	0	0	0	110.3	M395 F457 S499 V500	M395-D448 VanDerWaalsContact CE-OD1 3.24Å; M395-D448 WeakPolarHBondContact CE-OD1 3.33Å; D448-F457 PolarHBondContact N-O 3.26Å; D448-F457 PolarHBondContact O-N 3.1Å; D448-S499 WeakPolarHBondContact OD2-CA 3.1Å; D448-V500 HydrophobicContact CB-CG2 4.15Å; D448-V500 PolarHBondContact OD2-N 2.91Å
449	V	94.5	Very high	92.8	Very high	14 Å²	14	28.2 Å²	28.2	9%	0.085	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.8	-177.1	176.2	0	0	0	0	108	M395 L411 L456 L470	M395-V449 HydrophobicContact SD-CB 4.08Å; M395-V449 HydrophobicContact SD-CG2 3.71Å; L411-V449 HydrophobicContact CD1-CG2 4.43Å; L411-V449 HydrophobicContact CD2-CG2 3.99Å; V449-L456 HydrophobicContact CG2-CD1 4.08Å; V449-L456 HydrophobicContact CG2-CG 4.42Å; V449-L470 HydrophobicContact CG1-CD1 4.49Å
450	E	92.6	Very high	92.9	Very high	22 Å²	22	28.1 Å²	28.1	10%	0.103	14%	0.138	C	C	.	.			trans	-61.6	144.8	177.2	179	-77.8	146.6	0	0	110.4	T452 G453 R454 Y455 F457 V500	E450-T452 VanDerWaalsContact C-N 3.3Å; E450-T452 PolarHBondContact O-N 3.32Å; E450-T452 VanDerWaalsContact O-N 3.15Å; E450-T452 WeakPolarHBondContact OE1-CB 3.29Å; E450-T452 WeakPolarHBondContact OE1-CG2 3.42Å; E450-T452 PolarHBondContact OE1-N 3.48Å; E450-T452 PolarHBondContact OE1-OG1 2.98Å; E450-T452 WeakPolarHBondContact OE2-CA 3.12Å; E450-T452 VanDerWaalsContact OE2-CB 3.28Å; E450-T452 WeakPolarHBondContact OE2-CB 3.4Å; E450-T452 PolarHBondContact OE2-N 3.38Å; E450-T452 PolarHBondContact OE2-OG1 3.47Å; E450-G453 VanDerWaalsContact O-CA 3.27Å; E450-G453 WeakPolarHBondContact O-CA 3.42Å; E450-G453 PolarHBondContact O-N 3.39Å; E450-G453 PolarHBondContact OE2-N 3.2Å; E450-R454 PolarHBondContact OE2-N 3.06Å; E450-Y455 PolarHBondContact N-O 2.98Å; E450-F457 HydrophobicContact CB-CE2 4.3Å; E450-V500 HydrophobicContact CB-CG1 4.43Å
451	P	89.1	Confident	93	Very high	61 Å²	61	26.2 Å²	26.2	40%	0.396	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-31.8	-172.9	-30.2	36.7	0	0	0	116.3	G453 P502	P451-G453 PolarHBondContact O-N 3.03Å; P451-P502 VanDerWaalsContact CG-O 3.31Å; P451-P502 WeakPolarHBondContact CG-O 3.41Å
452	T	86.2	Confident	93.1	Very high	53 Å²	53	25.2 Å²	25.2	33%	0.325	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-12.2	172	77.3	0	0	0	0	113.2	E450 R454	E450-T452 VanDerWaalsContact C-N 3.3Å; E450-T452 PolarHBondContact O-N 3.32Å; E450-T452 VanDerWaalsContact O-N 3.15Å; E450-T452 WeakPolarHBondContact OE1-CB 3.29Å; E450-T452 WeakPolarHBondContact OE1-CG2 3.42Å; E450-T452 PolarHBondContact OE1-N 3.48Å; E450-T452 PolarHBondContact OE1-OG1 2.98Å; E450-T452 WeakPolarHBondContact OE2-CA 3.12Å; E450-T452 VanDerWaalsContact OE2-CB 3.28Å; E450-T452 WeakPolarHBondContact OE2-CB 3.4Å; E450-T452 PolarHBondContact OE2-N 3.38Å; E450-T452 PolarHBondContact OE2-OG1 3.47Å; T452-R454 VanDerWaalsContact C-N 3.32Å
453	G	88.5	Confident	93.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	77.9	15.9	179.6	0	0	0	0	0	113.1	F400 A401 E450 P451 L470	F400-G453 CarbonylContact C-O 3.58Å; F400-G453 VanDerWaalsContact CA-O 3.32Å; F400-G453 WeakPolarHBondContact CA-O 3.25Å; A401-G453 PolarHBondContact N-O 2.61Å; E450-G453 VanDerWaalsContact O-CA 3.27Å; E450-G453 WeakPolarHBondContact O-CA 3.42Å; E450-G453 PolarHBondContact O-N 3.39Å; E450-G453 PolarHBondContact OE2-N 3.2Å; P451-G453 PolarHBondContact O-N 3.03Å; G453-L470 WeakPolarHBondContact O-CD1 3.44Å
454	R	89.2	Confident	93.3	Very high	88 Å²	88	18.1 Å²	18.1	33%	0.332	9%	0.091	S	C	.	.	S	Bend	trans	-85.8	-40.8	-177.1	-179.2	171.7	176.7	179.4	-1	112.8	E450 T452 D469 L470 P471	E450-R454 PolarHBondContact OE2-N 3.06Å; T452-R454 VanDerWaalsContact C-N 3.32Å; R454-D469 VanDerWaalsContact CG-OD1 3.31Å; R454-D469 WeakPolarHBondContact CG-OD1 3.47Å; R454-D469 IonicContact CZ-OD1 3.4Å; R454-D469 IonicContact NE-OD1 3.73Å; R454-D469 PolarHBondContact NE-OD1 3.18Å; R454-D469 IonicContact NE-OD2 3.88Å; R454-D469 IonicContact NH2-OD1 3.81Å; R454-D469 IonicContact NH2-OD2 3.06Å; R454-D469 PolarHBondContact NH2-OD2 2.91Å; R454-L470 VanDerWaalsContact O-CB 3.26Å; R454-L470 WeakPolarHBondContact O-CB 3.4Å; R454-L470 VanDerWaalsContact O-CG 3.29Å; R454-L470 WeakPolarHBondContact O-CG 3.12Å; R454-L470 PolarHBondContact O-N 2.87Å; R454-P471 HydrophobicContact CG-CG 4.34Å
455	Y	92.3	Very high	93.4	Very high	6 Å²	6	15.3 Å²	15.3	2%	0.024	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	144.9	-175.1	-59.1	-78.8	0	0	0	111.9	N159 W160 M161 E450 Y468 D469	N159-Y455 PolarHBondContact OD1-OH 2.94Å; W160-Y455 HydrophobicContact CB-CG 4.49Å; W160-Y455 AromaticContact CD1-CD2 3.33Å; W160-Y455 AromaticContact CD1-CE2 3.46Å; W160-Y455 VanDerWaalsContact CD1-CE2 3.46Å; W160-Y455 HydrophobicContact CG-CD2 4.17Å; W160-Y455 HydrophobicContact CG-CE2 4.38Å; W160-Y455 HydrophobicContact CG-CG 4.49Å; M161-Y455 HydrophobicContact CG-CE1 4Å; M161-Y455 HydrophobicContact SD-CE1 4.47Å; E450-Y455 PolarHBondContact N-O 2.98Å; Y455-Y468 VanDerWaalsContact CA-O 3.27Å; Y455-Y468 WeakPolarHBondContact CA-O 3.31Å; Y455-D469 HydrophobicContact CD1-CB 4.13Å; Y455-D469 HydrophobicContact CE1-CB 3.88Å
456	L	94.4	Very high	93.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.5	169.4	178.3	147.9	0	0	0	109.9	L411 I420 L435 F447 V449 T458 A467 Y468 L470	L411-L456 HydrophobicContact CD2-CD1 3.15Å; I420-L456 HydrophobicContact CD1-CD2 4.22Å; L435-L456 HydrophobicContact CD1-CD1 3.99Å; L435-L456 HydrophobicContact CD1-CD2 4.03Å; L435-L456 HydrophobicContact CD1-CG 4.43Å; F447-L456 HydrophobicContact CB-CD2 4.43Å; F447-L456 HydrophobicContact CD2-CD1 4.14Å; V449-L456 HydrophobicContact CG2-CD1 4.08Å; V449-L456 HydrophobicContact CG2-CG 4.42Å; L456-T458 HydrophobicContact CD2-CG2 4.37Å; L456-A467 CarbonylContact O-C 3.59Å; L456-A467 WeakPolarHBondContact O-CA 3.26Å; L456-Y468 HydrophobicContact CD2-CD2 3.65Å; L456-Y468 HydrophobicContact CD2-CE2 4.18Å; L456-Y468 PolarHBondContact N-O 2.96Å; L456-Y468 PolarHBondContact O-N 3.12Å; L456-L470 HydrophobicContact CB-CD1 4.25Å; L456-L470 HydrophobicContact CB-CD2 3.75Å; L456-L470 HydrophobicContact CB-CG 4.22Å
457	F	95.8	Very high	93.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.9	176.2	-61.9	-88.4	0	0	0	110.5	W160 F447 D448 E450 C466 A467 W488 V498 V500 I507	W160-F457 HydrophobicContact CB-CE1 4.34Å; W160-F457 HydrophobicContact CB-CZ 3.82Å; W160-F457 HydrophobicContact CD2-CE1 4.49Å; W160-F457 HydrophobicContact CD2-CE2 4.31Å; W160-F457 AromaticContact CD2-CZ 3.59Å; W160-F457 HydrophobicContact CD2-CZ 3.59Å; W160-F457 HydrophobicContact CE3-CE1 4.2Å; W160-F457 HydrophobicContact CE3-CE2 4.48Å; W160-F457 AromaticContact CE3-CZ 3.64Å; W160-F457 HydrophobicContact CE3-CZ 3.64Å; W160-F457 AromaticContact CG-CZ 3.7Å; W160-F457 HydrophobicContact CG-CZ 3.7Å; W160-F457 HydrophobicContact CZ3-CZ 4.33Å; F447-F457 CarbonylContact C-O 3.49Å; F447-F457 WeakPolarHBondContact CA-O 3.45Å; F447-F457 VanDerWaalsContact CB-O 3.27Å; F447-F457 WeakPolarHBondContact CB-O 3.33Å; D448-F457 PolarHBondContact N-O 3.26Å; D448-F457 PolarHBondContact O-N 3.1Å; E450-F457 HydrophobicContact CB-CE2 4.3Å; F457-C466 CarbonylContact C-O 3.48Å; F457-C466 VanDerWaalsContact CA-O 3.28Å; F457-C466 WeakPolarHBondContact CA-O 3.16Å; F457-A467 HydrophobicContact CD1-CB 3.61Å; F457-A467 HydrophobicContact CE1-CB 3.38Å; F457-A467 HydrophobicContact CZ-CB 4.27Å; F457-W488 AromaticContact CD1-CH2 3.91Å; F457-W488 HydrophobicContact CD1-CH2 3.91Å; F457-W488 HydrophobicContact CD1-CZ3 4.19Å; F457-W488 HydrophobicContact CE1-CH2 4.2Å; F457-W488 HydrophobicContact CE1-CZ3 4.34Å; F457-V498 HydrophobicContact CB-CG1 3.7Å; F457-V500 HydrophobicContact CB-CG2 4.32Å; F457-V500 HydrophobicContact CD2-CG2 3.38Å; F457-V500 HydrophobicContact CE2-CG2 3.98Å; F457-V500 HydrophobicContact CG-CG2 4.12Å; F457-I507 HydrophobicContact CD1-CD1 3.41Å; F457-I507 VanDerWaalsContact CD1-CD1 3.41Å; F457-I507 HydrophobicContact CD2-CD1 4.09Å; F457-I507 HydrophobicContact CE1-CD1 3.3Å; F457-I507 HydrophobicContact CE2-CD1 4Å; F457-I507 HydrophobicContact CG-CD1 3.8Å; F457-I507 HydrophobicContact CZ-CD1 3.62Å
458	T	95.9	Very high	92.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	141	176.8	-168.4	0	0	0	0	112.7	I420 R437 L456 V465 C466 Y468	I420-T458 HydrophobicContact CD1-CG2 4.11Å; R437-T458 HydrophobicContact CB-CG2 3.9Å; R437-T458 WeakPolarHBondContact CD-OG1 3.5Å; R437-T458 PolarHBondContact NH1-OG1 3.04Å; L456-T458 HydrophobicContact CD2-CG2 4.37Å; T458-V465 CarbonylContact O-C 3.53Å; T458-V465 WeakPolarHBondContact O-CA 3.39Å; T458-C466 HydrophobicContact CG2-CB 3.93Å; T458-C466 PolarHBondContact N-O 3.04Å; T458-C466 PolarHBondContact O-N 2.79Å; T458-Y468 HydrophobicContact CG2-CE2 3.79Å
459	G	94.7	Very high	92.5	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	151.4	171.3	0	0	0	0	0	111.9	Q446 T495 V498	Q446-G459 PolarHBondContact O-N 3.15Å; G459-T495 CarbonylContact C-O 3.52Å; G459-T495 WeakPolarHBondContact CA-O 3.5Å; G459-V498 VanDerWaalsContact N-CG2 3.32Å
460	S	93.7	Very high	92.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.058	C	C	.	.			trans	-122.4	161.2	175.3	66.5	0	0	0	0	111.5	F445 T462 G463 V464 T495	F445-S460 VanDerWaalsContact CE1-C 3.5Å; S460-T462 PolarHBondContact O-N 3.38Å; S460-T462 PolarHBondContact OG-OG1 3.04Å; S460-G463 PolarHBondContact O-N 2.77Å; S460-V464 WeakPolarHBondContact CB-O 3.35Å; S460-V464 PolarHBondContact N-O 2.62Å; S460-V464 WeakPolarHBondContact OG-CA 3.38Å; S460-V464 WeakPolarHBondContact OG-CB 3.5Å; S460-V464 PolarHBondContact OG-N 3.45Å; S460-V464 PolarHBondContact OG-O 3.17Å; S460-T495 PolarHBondContact O-N 2.85Å
461	Q	93.9	Very high	91.9	Very high	3 Å²	3	11.3 Å²	11.3	1%	0.014	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-23	176.3	-169.3	177.7	-4.1	0	0	112.5	R438 N441 F445 G463 S494 Q513 L611 L614	R438-Q461 WeakPolarHBondContact O-CB 3.28Å; R438-Q461 PolarHBondContact O-N 3.37Å; N441-Q461 VanDerWaalsContact N-OE1 3.11Å; N441-Q461 VanDerWaalsContact ND2-CD 3.35Å; N441-Q461 PolarHBondContact ND2-NE2 3.15Å; N441-Q461 VanDerWaalsContact ND2-NE2 3.12Å; F445-Q461 HydrophobicContact CE1-CB 4.12Å; F445-Q461 HydrophobicContact CZ-CB 3.65Å; F445-Q461 HydrophobicContact CZ-CG 4.08Å; Q461-G463 PolarHBondContact O-N 2.86Å; Q461-S494 VanDerWaalsContact O-CA 3.26Å; Q461-S494 WeakPolarHBondContact O-CA 3.33Å; Q461-S494 WeakPolarHBondContact O-CB 3.34Å; Q461-Q513 VanDerWaalsContact NE2-OE1 3.11Å; Q461-L611 HydrophobicContact CB-CD1 4Å; Q461-L611 HydrophobicContact CG-CB 4.1Å; Q461-L611 HydrophobicContact CG-CD1 3.92Å; Q461-L614 VanDerWaalsContact O-CD1 3.28Å; Q461-L614 WeakPolarHBondContact O-CD1 3.42Å
462	T	92.6	Very high	91.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-9.8	172.3	55.1	0	0	0	0	112.3	R438 S460 R489 L569 A574 L611	R438-T462 HydrophobicContact CB-CG2 4.34Å; R438-T462 HydrophobicContact CG-CG2 4.06Å; S460-T462 PolarHBondContact O-N 3.38Å; S460-T462 PolarHBondContact OG-OG1 3.04Å; T462-R489 PolarHBondContact O-NH1 3.18Å; T462-R489 PolarHBondContact O-NH2 2.96Å; T462-L569 HydrophobicContact CG2-CD1 3.8Å; T462-A574 PolarHBondContact OG1-O 2.81Å; T462-L611 HydrophobicContact CG2-CD1 4.37Å; T462-L611 HydrophobicContact CG2-CD2 4Å
463	G	93.1	Very high	91.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.039	C	C	.	.	S	Bend	trans	86.9	5.7	-178.8	0	0	0	0	0	114.1	S460 Q461 R489 A490 H491 D493 T495	S460-G463 PolarHBondContact O-N 2.77Å; Q461-G463 PolarHBondContact O-N 2.86Å; G463-R489 PolarHBondContact O-NH1 3.14Å; G463-R489 VanDerWaalsContact O-NH1 3.09Å; G463-A490 PolarHBondContact O-N 2.94Å; G463-H491 WeakPolarHBondContact CA-O 3.34Å; G463-H491 PolarHBondContact O-N 3.15Å; G463-D493 WeakPolarHBondContact CA-O 3.28Å; G463-T495 VanDerWaalsContact C-OG1 3.32Å; G463-T495 VanDerWaalsContact CA-OG1 3.29Å; G463-T495 WeakPolarHBondContact CA-OG1 3.47Å; G463-T495 PolarHBondContact O-OG1 3.05Å
464	V	94.1	Very high	91.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	143.2	169.8	170.9	0	0	0	0	109.6	S460 N487 W488 A574 V575 M577	S460-V464 WeakPolarHBondContact CB-O 3.35Å; S460-V464 PolarHBondContact N-O 2.62Å; S460-V464 WeakPolarHBondContact OG-CA 3.38Å; S460-V464 WeakPolarHBondContact OG-CB 3.5Å; S460-V464 PolarHBondContact OG-N 3.45Å; S460-V464 PolarHBondContact OG-O 3.17Å; V464-N487 HydrophobicContact CG1-CB 3.81Å; V464-W488 VanDerWaalsContact CA-O 3.31Å; V464-W488 WeakPolarHBondContact CA-O 3.37Å; V464-A574 HydrophobicContact CG2-CB 3.77Å; V464-A574 WeakPolarHBondContact CG2-O 3.31Å; V464-V575 HydrophobicContact CG1-CG2 4.47Å; V464-V575 HydrophobicContact CG2-CG2 4.19Å; V464-M577 HydrophobicContact CB-CE 4.25Å; V464-M577 HydrophobicContact CG1-CE 3.8Å
465	V	95	Very high	90.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.7	164.6	-179.7	0	0	0	0	108.1	T458 N487 W488 A490 T495 V498 T509	T458-V465 CarbonylContact O-C 3.53Å; T458-V465 WeakPolarHBondContact O-CA 3.39Å; V465-N487 WeakPolarHBondContact O-CA 3.46Å; V465-W488 HydrophobicContact CB-CD2 4.11Å; V465-W488 HydrophobicContact CB-CE3 4.13Å; V465-W488 HydrophobicContact CB-CH2 3.62Å; V465-W488 HydrophobicContact CB-CZ2 3.56Å; V465-W488 HydrophobicContact CB-CZ3 3.89Å; V465-W488 HydrophobicContact CG1-CE3 4.39Å; V465-W488 HydrophobicContact CG1-CH2 3.19Å; V465-W488 HydrophobicContact CG1-CZ2 3.57Å; V465-W488 HydrophobicContact CG1-CZ3 3.65Å; V465-W488 HydrophobicContact CG2-CZ2 4.14Å; V465-W488 PolarHBondContact N-O 3.07Å; V465-W488 PolarHBondContact O-N 3.46Å; V465-W488 VanDerWaalsContact O-N 3.16Å; V465-A490 HydrophobicContact CG2-CB 3.67Å; V465-T495 HydrophobicContact CG2-CG2 3.79Å; V465-V498 HydrophobicContact CG1-CG1 4.48Å; V465-V498 HydrophobicContact CG1-CG2 4.37Å; V465-V498 HydrophobicContact CG2-CG2 4.22Å; V465-T509 HydrophobicContact CG2-CG2 3.96Å
466	C	93	Very high	89.2	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.8	178.5	-40.9	0	0	0	0	109.6	F457 T458 Y468 N487 M577	F457-C466 CarbonylContact C-O 3.48Å; F457-C466 VanDerWaalsContact CA-O 3.28Å; F457-C466 WeakPolarHBondContact CA-O 3.16Å; T458-C466 HydrophobicContact CG2-CB 3.93Å; T458-C466 PolarHBondContact N-O 3.04Å; T458-C466 PolarHBondContact O-N 2.79Å; C466-Y468 HydrophobicContact CB-CD2 4.47Å; C466-Y468 HydrophobicContact CB-CE2 3.68Å; C466-N487 VanDerWaalsContact CA-OD1 3.25Å; C466-N487 WeakPolarHBondContact CA-OD1 3.14Å; C466-N487 WeakPolarHBondContact CB-OD1 3.33Å; C466-N487 PolarHBondContact SG-OD1 2.71Å; C466-N487 VanDerWaalsContact SG-OD1 3.37Å; C466-M577 WeakPolarHBondContact SG-CE 3.18Å
467	A	93.2	Very high	87.1	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.6	171.9	0	0	0	0	0	110	L456 F457 S485 S486 W488	L456-A467 CarbonylContact O-C 3.59Å; L456-A467 WeakPolarHBondContact O-CA 3.26Å; F457-A467 HydrophobicContact CD1-CB 3.61Å; F457-A467 HydrophobicContact CE1-CB 3.38Å; F457-A467 HydrophobicContact CZ-CB 4.27Å; A467-S485 CarbonylContact O-C 3.55Å; A467-S485 WeakPolarHBondContact O-CA 3.34Å; A467-S486 PolarHBondContact N-O 3.42Å; A467-S486 PolarHBondContact O-N 3Å; A467-W488 HydrophobicContact CB-CZ3 4.23Å
468	Y	91.9	Very high	84.8	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.9	178	-60.9	-82.8	0	0	0	111.1	L435 H436 Y455 L456 T458 C466 L470 T483	L435-Y468 HydrophobicContact CB-CD1 4.47Å; L435-Y468 HydrophobicContact CB-CD2 4.38Å; L435-Y468 HydrophobicContact CB-CE1 4.27Å; L435-Y468 HydrophobicContact CB-CE2 4.15Å; L435-Y468 HydrophobicContact CD1-CD2 4.02Å; L435-Y468 HydrophobicContact CD1-CG 4.07Å; L435-Y468 HydrophobicContact CD2-CD1 3.96Å; L435-Y468 HydrophobicContact CD2-CE1 4.44Å; L435-Y468 HydrophobicContact CD2-CG 4.12Å; L435-Y468 HydrophobicContact CG-CG 4.47Å; H436-Y468 VanDerWaalsContact C-OH 3.27Å; H436-Y468 PolarHBondContact O-OH 2.76Å; Y455-Y468 VanDerWaalsContact CA-O 3.27Å; Y455-Y468 WeakPolarHBondContact CA-O 3.31Å; L456-Y468 HydrophobicContact CD2-CD2 3.65Å; L456-Y468 HydrophobicContact CD2-CE2 4.18Å; L456-Y468 PolarHBondContact N-O 2.96Å; L456-Y468 PolarHBondContact O-N 3.12Å; T458-Y468 HydrophobicContact CG2-CE2 3.79Å; C466-Y468 HydrophobicContact CB-CD2 4.47Å; C466-Y468 HydrophobicContact CB-CE2 3.68Å; Y468-L470 PolarHBondContact O-N 2.85Å; Y468-T483 HydrophobicContact CD1-CG2 3.46Å; Y468-T483 VanDerWaalsContact CD1-CG2 3.46Å; Y468-T483 HydrophobicContact CE1-CG2 3.6Å
469	D	89.3	Confident	82.3	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	103	167.5	-166.9	18.5	0	0	0	107.5	M161 R454 Y455 P471 Q472 C473	M161-D469 HydrophobicContact CE-CB 3.37Å; M161-D469 HydrophobicContact SD-CB 3.64Å; R454-D469 VanDerWaalsContact CG-OD1 3.31Å; R454-D469 WeakPolarHBondContact CG-OD1 3.47Å; R454-D469 IonicContact CZ-OD1 3.4Å; R454-D469 IonicContact NE-OD1 3.73Å; R454-D469 PolarHBondContact NE-OD1 3.18Å; R454-D469 IonicContact NE-OD2 3.88Å; R454-D469 IonicContact NH2-OD1 3.81Å; R454-D469 IonicContact NH2-OD2 3.06Å; R454-D469 PolarHBondContact NH2-OD2 2.91Å; Y455-D469 HydrophobicContact CD1-CB 4.13Å; Y455-D469 HydrophobicContact CE1-CB 3.88Å; D469-P471 WeakPolarHBondContact OD1-CD 3.49Å; D469-Q472 HydrophobicContact CB-CB 4.34Å; D469-Q472 HydrophobicContact CB-CG 4.23Å; D469-Q472 PolarHBondContact O-N 2.85Å; D469-Q472 VanDerWaalsContact OD2-CD 3.31Å; D469-Q472 WeakPolarHBondContact OD2-CG 3.48Å; D469-Q472 PolarHBondContact OD2-NE2 2.95Å; D469-C473 PolarHBondContact O-N 2.98Å; D469-C473 PolarHBondContact O-SG 2.89Å
470	L	89.2	Confident	79.8	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59	-40.6	-171.6	-61.3	170.2	0	0	0	113.9	F400 A401 L435 V449 G453 R454 L456 Y468 Q472 C473 I474	F400-L470 HydrophobicContact CD2-CD1 3.59Å; F400-L470 HydrophobicContact CD2-CG 4.4Å; F400-L470 HydrophobicContact CE1-CB 4.25Å; F400-L470 HydrophobicContact CE2-CB 4.07Å; F400-L470 HydrophobicContact CE2-CD1 3.43Å; F400-L470 VanDerWaalsContact CE2-CD1 3.43Å; F400-L470 HydrophobicContact CE2-CD2 3.5Å; F400-L470 HydrophobicContact CE2-CG 3.83Å; F400-L470 HydrophobicContact CG-CD1 4.39Å; F400-L470 HydrophobicContact CZ-CB 3.9Å; F400-L470 HydrophobicContact CZ-CD1 4.13Å; F400-L470 HydrophobicContact CZ-CD2 3.59Å; F400-L470 HydrophobicContact CZ-CG 4.06Å; A401-L470 HydrophobicContact CB-CB 4.19Å; L435-L470 HydrophobicContact CD1-CD2 4.07Å; V449-L470 HydrophobicContact CG1-CD1 4.49Å; G453-L470 WeakPolarHBondContact O-CD1 3.44Å; R454-L470 VanDerWaalsContact O-CB 3.26Å; R454-L470 WeakPolarHBondContact O-CB 3.4Å; R454-L470 VanDerWaalsContact O-CG 3.29Å; R454-L470 WeakPolarHBondContact O-CG 3.12Å; R454-L470 PolarHBondContact O-N 2.87Å; L456-L470 HydrophobicContact CB-CD1 4.25Å; L456-L470 HydrophobicContact CB-CD2 3.75Å; L456-L470 HydrophobicContact CB-CG 4.22Å; Y468-L470 PolarHBondContact O-N 2.85Å; L470-Q472 PolarHBondContact O-N 3.35Å; L470-C473 PolarHBondContact O-N 3.38Å; L470-I474 VanDerWaalsContact O-CG1 3.3Å; L470-I474 WeakPolarHBondContact O-CG1 3.29Å; L470-I474 PolarHBondContact O-N 2.88Å
471	P	85.7	Confident	77.7	Confident	21 Å²	21	44.3 Å²	44.3	14%	0.136	23%	0.234	C	C	.	.	H	α-helix	trans	-58.8	-45.9	174.5	-11.1	22.1	0	0	0	112.6	A401 R454 D469 C473 I474 D475	A401-P471 HydrophobicContact CB-CB 3.86Å; A401-P471 HydrophobicContact CB-CG 3.69Å; A401-P471 WeakPolarHBondContact O-CG 3.47Å; R454-P471 HydrophobicContact CG-CG 4.34Å; D469-P471 WeakPolarHBondContact OD1-CD 3.49Å; P471-C473 VanDerWaalsContact C-N 3.3Å; P471-C473 PolarHBondContact O-N 2.84Å; P471-I474 PolarHBondContact O-N 3.1Å; P471-I474 VanDerWaalsContact O-N 3.15Å; P471-D475 PolarHBondContact O-N 2.9Å
472	Q	83.5	Confident	75.6	Confident	50 Å²	50	51.2 Å²	51.2	23%	0.234	27%	0.266	C	S	.	.	H	α-helix	trans	-65.3	-36.4	180	-64.3	-176.3	27.4	0	0	111.7	D469 L470 I474 D475 Q476	D469-Q472 HydrophobicContact CB-CB 4.34Å; D469-Q472 HydrophobicContact CB-CG 4.23Å; D469-Q472 PolarHBondContact O-N 2.85Å; D469-Q472 VanDerWaalsContact OD2-CD 3.31Å; D469-Q472 WeakPolarHBondContact OD2-CG 3.48Å; D469-Q472 PolarHBondContact OD2-NE2 2.95Å; L470-Q472 PolarHBondContact O-N 3.35Å; Q472-I474 PolarHBondContact O-N 3.25Å; Q472-D475 PolarHBondContact O-N 3.42Å; Q472-Q476 PolarHBondContact O-N 3.21Å; Q472-Q476 VanDerWaalsContact O-N 3.13Å
473	C	83.7	Confident	74.1	Confident	7 Å²	7	53 Å²	53	5%	0.047	28%	0.277	C	S	.	.	H	α-helix	trans	-68.4	-20	177	-62.6	0	0	0	0	113.6	T433 L435 D469 L470 P471 T483	T433-C473 PolarHBondContact OG1-O 2.9Å; L435-C473 HydrophobicContact CD2-CB 3.99Å; D469-C473 PolarHBondContact O-N 2.98Å; D469-C473 PolarHBondContact O-SG 2.89Å; L470-C473 PolarHBondContact O-N 3.38Å; P471-C473 VanDerWaalsContact C-N 3.3Å; P471-C473 PolarHBondContact O-N 2.84Å; C473-T483 HydrophobicContact CB-CG2 4.5Å; C473-T483 VanDerWaalsContact SG-CG2 3.52Å
474	I	80.1	Confident	72.7	Confident	54 Å²	54	58 Å²	58	28%	0.277	30%	0.297	S	S	.	.	H	α-helix	trans	-86.4	-47.4	173.9	-61.2	163.9	0	0	0	110.3	F400 A401 I432 L470 P471 Q472 Q476	F400-I474 HydrophobicContact CD1-CD1 3.85Å; F400-I474 HydrophobicContact CE1-CD1 3.53Å; F400-I474 HydrophobicContact CE1-CG1 3.98Å; A401-I474 HydrophobicContact CB-CD1 3.62Å; I432-I474 HydrophobicContact CG2-CG1 4.21Å; I432-I474 HydrophobicContact CG2-CG2 4.1Å; L470-I474 VanDerWaalsContact O-CG1 3.3Å; L470-I474 WeakPolarHBondContact O-CG1 3.29Å; L470-I474 PolarHBondContact O-N 2.88Å; P471-I474 PolarHBondContact O-N 3.1Å; P471-I474 VanDerWaalsContact O-N 3.15Å; Q472-I474 PolarHBondContact O-N 3.25Å; I474-Q476 VanDerWaalsContact C-N 3.28Å; I474-Q476 PolarHBondContact O-N 3.31Å
475	D	75.8	Confident	72	Confident	112 Å²	112	59.9 Å²	59.9	60%	0.599	31%	0.31	S	S	*	.	H	α-helix	trans	-69.5	-27.2	-172.7	-67.2	-25	0	0	0	112.1	P471 Q472	P471-D475 PolarHBondContact O-N 2.9Å; Q472-D475 PolarHBondContact O-N 3.42Å
476	Q	63.9	Low	71.6	Confident	88 Å²	88	61.5 Å²	61.5	41%	0.411	32%	0.321	S	S	.	.			trans	-112.1	88.5	179.6	-58.6	-162.6	33.6	0	0	112	Q472 I474 S478 Y484	Q472-Q476 PolarHBondContact O-N 3.21Å; Q472-Q476 VanDerWaalsContact O-N 3.13Å; I474-Q476 VanDerWaalsContact C-N 3.28Å; I474-Q476 PolarHBondContact O-N 3.31Å; Q476-S478 PolarHBondContact O-N 2.65Å; Q476-Y484 HydrophobicContact CB-CE2 4.33Å; Q476-Y484 HydrophobicContact CG-CE2 4.3Å; Q476-Y484 PolarHBondContact NE2-OH 2.93Å; Q476-Y484 PolarHBondContact OE1-OH 3.35Å
477	F	51.8	Low	71.4	Confident	173 Å²	173	63.4 Å²	63.4	76%	0.759	33%	0.331	S	S	*	.			trans	-71.7	66.2	158.4	-129	-84.9	0	0	0	108.2	I432 E479	I432-F477 WeakPolarHBondContact O-CE2 3.47Å; F477-E479 PolarHBondContact O-N 3.04Å
478	S	47.2	Very low	71.3	Confident	42 Å²	42	64.7 Å²	64.7	29%	0.294	34%	0.336	S	S	.	.			trans	-70.2	118	179.9	78.8	0	0	0	0	108.8	Q476 N480 G481	Q476-S478 PolarHBondContact O-N 2.65Å; S478-N480 PolarHBondContact O-N 3.42Å; S478-G481 PolarHBondContact O-N 3.02Å; S478-G481 VanDerWaalsContact O-N 3.07Å
479	E	42.9	Very low	71.4	Confident	197 Å²	197	67.1 Å²	67.1	92%	0.921	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-19.2	171.9	-70.4	-178	150.8	0	0	112.1	F477 G481	F477-E479 PolarHBondContact O-N 3.04Å; E479-G481 VanDerWaalsContact C-N 3.33Å; E479-G481 PolarHBondContact O-N 3.18Å
480	N	43.2	Very low	71.5	Confident	129 Å²	129	67.1 Å²	67.1	69%	0.69	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-0.6	-179.1	-61.8	-7.7	0	0	0	114	S478 H482	S478-N480 PolarHBondContact O-N 3.42Å; N480-H482 PolarHBondContact O-N 2.83Å
481	G	48.8	Very low	71.8	Confident	50 Å²	50	67.2 Å²	67.2	52%	0.515	35%	0.346	S	S	.	.			trans	66.1	7.7	173.3	0	0	0	0	0	115.4	S478 E479 T483	S478-G481 PolarHBondContact O-N 3.02Å; S478-G481 VanDerWaalsContact O-N 3.07Å; E479-G481 VanDerWaalsContact C-N 3.33Å; E479-G481 PolarHBondContact O-N 3.18Å; G481-T483 PolarHBondContact O-N 3.3Å
482	H	49.6	Very low	72.1	Confident	147 Å²	147	68.9 Å²	68.9	68%	0.681	36%	0.358	S	S	*	.			trans	-81.9	95.4	175.1	-67.4	-52.5	0	0	0	109.3	N480	N480-H482 PolarHBondContact O-N 2.83Å
483	T	60.1	Low	72.5	Confident	38 Å²	38	66.5 Å²	66.5	23%	0.233	35%	0.347	C	S	.	.			trans	-73.3	129.2	168.8	-38.1	0	0	0	0	109.3	L435 Y468 C473 G481 S485	L435-T483 HydrophobicContact CD2-CG2 4.01Å; Y468-T483 HydrophobicContact CD1-CG2 3.46Å; Y468-T483 VanDerWaalsContact CD1-CG2 3.46Å; Y468-T483 HydrophobicContact CE1-CG2 3.6Å; C473-T483 HydrophobicContact CB-CG2 4.5Å; C473-T483 VanDerWaalsContact SG-CG2 3.52Å; G481-T483 PolarHBondContact O-N 3.3Å; T483-S485 VanDerWaalsContact C-N 3.33Å; T483-S485 PolarHBondContact O-N 2.86Å; T483-S485 PolarHBondContact O-OG 3.17Å
484	Y	64.4	Low	73	Confident	106 Å²	106	66.2 Å²	66.2	42%	0.416	35%	0.345	S	S	.	.			trans	-63.5	95.8	171.5	-66.6	-89.1	0	0	0	109.1	M161 Q476	M161-Y484 WeakPolarHBondContact CE-O 3.29Å; Q476-Y484 HydrophobicContact CB-CE2 4.33Å; Q476-Y484 HydrophobicContact CG-CE2 4.3Å; Q476-Y484 PolarHBondContact NE2-OH 2.93Å; Q476-Y484 PolarHBondContact OE1-OH 3.35Å
485	S	78.9	Confident	73.7	Confident	38 Å²	38	63.6 Å²	63.6	27%	0.266	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.6	178.9	53.3	0	0	0	0	109	A467 T483 N487	A467-S485 CarbonylContact O-C 3.55Å; A467-S485 WeakPolarHBondContact O-CA 3.34Å; T483-S485 VanDerWaalsContact C-N 3.33Å; T483-S485 PolarHBondContact O-N 2.86Å; T483-S485 PolarHBondContact O-OG 3.17Å; S485-N487 PolarHBondContact OG-ND2 2.9Å; S485-N487 VanDerWaalsContact OG-ND2 3.1Å
486	S	86.5	Confident	74.6	Confident	34 Å²	34	58.4 Å²	58.4	24%	0.238	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.1	162.6	-174.3	0	0	0	0	107.3	M161 A467	M161-S486 WeakPolarHBondContact O-CB 3.43Å; M161-S486 PolarHBondContact O-OG 2.77Å; A467-S486 PolarHBondContact N-O 3.42Å; A467-S486 PolarHBondContact O-N 3Å
487	N	90	Very high	76.2	Confident	41 Å²	41	54.2 Å²	54.2	22%	0.219	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.6	-173.6	-61.3	-53.5	0	0	0	108.7	V464 V465 C466 S485 V575	V464-N487 HydrophobicContact CG1-CB 3.81Å; V465-N487 WeakPolarHBondContact O-CA 3.46Å; C466-N487 VanDerWaalsContact CA-OD1 3.25Å; C466-N487 WeakPolarHBondContact CA-OD1 3.14Å; C466-N487 WeakPolarHBondContact CB-OD1 3.33Å; C466-N487 PolarHBondContact SG-OD1 2.71Å; C466-N487 VanDerWaalsContact SG-OD1 3.37Å; S485-N487 PolarHBondContact OG-ND2 2.9Å; S485-N487 VanDerWaalsContact OG-ND2 3.1Å; N487-V575 HydrophobicContact CB-CG1 3.95Å; N487-V575 HydrophobicContact CB-CG2 4.07Å
488	W	91.6	Very high	78.3	Confident	26 Å²	26	46.1 Å²	46.1	10%	0.098	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.3	171.3	77	101.4	0	0	0	111.4	P165 F457 V464 V465 A467 A490 I507 W623 F625	P165-W488 HydrophobicContact CG-CB 4.19Å; P165-W488 HydrophobicContact CG-CD2 3.94Å; P165-W488 HydrophobicContact CG-CG 3.7Å; F457-W488 AromaticContact CD1-CH2 3.91Å; F457-W488 HydrophobicContact CD1-CH2 3.91Å; F457-W488 HydrophobicContact CD1-CZ3 4.19Å; F457-W488 HydrophobicContact CE1-CH2 4.2Å; F457-W488 HydrophobicContact CE1-CZ3 4.34Å; V464-W488 VanDerWaalsContact CA-O 3.31Å; V464-W488 WeakPolarHBondContact CA-O 3.37Å; V465-W488 HydrophobicContact CB-CD2 4.11Å; V465-W488 HydrophobicContact CB-CE3 4.13Å; V465-W488 HydrophobicContact CB-CH2 3.62Å; V465-W488 HydrophobicContact CB-CZ2 3.56Å; V465-W488 HydrophobicContact CB-CZ3 3.89Å; V465-W488 HydrophobicContact CG1-CE3 4.39Å; V465-W488 HydrophobicContact CG1-CH2 3.19Å; V465-W488 HydrophobicContact CG1-CZ2 3.57Å; V465-W488 HydrophobicContact CG1-CZ3 3.65Å; V465-W488 HydrophobicContact CG2-CZ2 4.14Å; V465-W488 PolarHBondContact N-O 3.07Å; V465-W488 PolarHBondContact O-N 3.46Å; V465-W488 VanDerWaalsContact O-N 3.16Å; A467-W488 HydrophobicContact CB-CZ3 4.23Å; W488-A490 PolarHBondContact O-N 2.98Å; W488-I507 HydrophobicContact CH2-CD1 4.04Å; W488-W623 AromaticContact NE1-CD2 3.75Å; W488-W623 AromaticContact NE1-CE2 3.82Å; W488-W623 AromaticContact NE1-CE3 3.89Å; W488-F625 AromaticContact CH2-CZ 3.86Å; W488-F625 HydrophobicContact CH2-CZ 3.86Å; W488-F625 HydrophobicContact CZ2-CZ 4.1Å; W488-F625 HydrophobicContact CZ3-CZ 4.22Å
489	R	92.2	Very high	80.7	Confident	54 Å²	54	44.5 Å²	44.5	20%	0.204	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	98.4	178.7	-165.4	84.6	-174.4	77.9	5	109.6	T462 G463 H491 S492 D571	T462-R489 PolarHBondContact O-NH1 3.18Å; T462-R489 PolarHBondContact O-NH2 2.96Å; G463-R489 PolarHBondContact O-NH1 3.14Å; G463-R489 VanDerWaalsContact O-NH1 3.09Å; R489-H491 PolarHBondContact NH1-O 3.41Å; R489-H491 PolarHBondContact NH2-O 3.04Å; R489-H491 VanDerWaalsContact NH2-O 3.12Å; R489-S492 VanDerWaalsContact NH2-C 3.27Å; R489-S492 VanDerWaalsContact NH2-CA 3.26Å; R489-S492 PolarHBondContact NH2-O 2.89Å; R489-D571 WeakPolarHBondContact CD-OD1 3.4Å; R489-D571 VanDerWaalsContact CG-OD1 3.31Å; R489-D571 WeakPolarHBondContact CG-OD1 3.44Å
490	A	93.3	Very high	83.2	Confident	3 Å²	3	35.5 Å²	35.5	3%	0.025	20%	0.196	C	C	.	.			trans	-82	-41.9	-177.5	0	0	0	0	0	113.1	G463 V465 W488 K621 W623	G463-A490 PolarHBondContact O-N 2.94Å; V465-A490 HydrophobicContact CG2-CB 3.67Å; W488-A490 PolarHBondContact O-N 2.98Å; A490-K621 PolarHBondContact O-NZ 2.93Å; A490-W623 VanDerWaalsContact CA-CZ2 3.49Å; A490-W623 HydrophobicContact CB-CZ2 3.8Å; A490-W623 WeakPolarHBondContact O-CZ2 3.18Å
491	H	94.2	Very high	85.7	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.009	17%	0.165	C	C	.	.			trans	-145	139.1	-174.1	-64	-88.1	0	0	0	111.4	G463 R489 D493 T495 T509 S511 E617 R619	G463-H491 WeakPolarHBondContact CA-O 3.34Å; G463-H491 PolarHBondContact O-N 3.15Å; R489-H491 PolarHBondContact NH1-O 3.41Å; R489-H491 PolarHBondContact NH2-O 3.04Å; R489-H491 VanDerWaalsContact NH2-O 3.12Å; H491-D493 CarbonylContact C-O 3.46Å; H491-D493 WeakPolarHBondContact CB-O 3.34Å; H491-D493 PolarHBondContact O-N 2.95Å; H491-D493 VanDerWaalsContact O-N 3.16Å; H491-T495 PolarHBondContact CD2-OG1 3.22Å; H491-T509 WeakPolarHBondContact NE2-CB 3.37Å; H491-T509 PolarHBondContact NE2-OG1 3.2Å; H491-S511 WeakPolarHBondContact ND1-CB 3.27Å; H491-S511 PolarHBondContact ND1-OG 2.5Å; H491-E617 IonicContact ND1-OE1 3.67Å; H491-R619 PolarHBondContact CE1-O 3.37Å; H491-R619 VanDerWaalsContact CE1-O 3.28Å
492	S	91.4	Very high	87.8	Confident	56 Å²	56	29.5 Å²	29.5	39%	0.392	16%	0.155	S	C	.	.	S	Bend	trans	-58.1	-30.5	177.5	-41.1	0	0	0	0	112.6	R489 E617	R489-S492 VanDerWaalsContact NH2-C 3.27Å; R489-S492 VanDerWaalsContact NH2-CA 3.26Å; R489-S492 PolarHBondContact NH2-O 2.89Å; S492-E617 WeakPolarHBondContact CA-OE2 3.29Å; S492-E617 VanDerWaalsContact CB-OE2 3.25Å; S492-E617 WeakPolarHBondContact CB-OE2 3.26Å; S492-E617 PolarHBondContact N-OE2 2.73Å; S492-E617 PolarHBondContact OG-OE2 2.96Å
493	D	92.5	Very high	89.7	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-95.9	172.7	171.5	-156.4	1.9	0	0	0	112.6	G463 H491 T495 G512 Q513 R515 P615 E617	G463-D493 WeakPolarHBondContact CA-O 3.28Å; H491-D493 CarbonylContact C-O 3.46Å; H491-D493 WeakPolarHBondContact CB-O 3.34Å; H491-D493 PolarHBondContact O-N 2.95Å; H491-D493 VanDerWaalsContact O-N 3.16Å; D493-T495 PolarHBondContact O-N 2.89Å; D493-G512 WeakPolarHBondContact OD2-CA 3.2Å; D493-Q513 VanDerWaalsContact OD1-CD 3.31Å; D493-Q513 VanDerWaalsContact OD1-CG 3.3Å; D493-Q513 WeakPolarHBondContact OD1-CG 3.41Å; D493-Q513 PolarHBondContact OD1-NE2 2.97Å; D493-Q513 PolarHBondContact OD2-N 3.21Å; D493-R515 IonicContact OD1-NH2 3Å; D493-R515 PolarHBondContact OD1-NH2 3.15Å; D493-R515 VanDerWaalsContact OD1-NH2 3.14Å; D493-R515 IonicContact OD2-CZ 3.32Å; D493-R515 IonicContact OD2-NE 2.78Å; D493-R515 IonicContact OD2-NH2 3.72Å; D493-R515 PolarHBondContact OD2-NH2 3.47Å; D493-P615 WeakPolarHBondContact CB-O 3.22Å; D493-E617 HydrophobicContact CB-CB 3.9Å
494	S	94	Very high	91.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.153	C	C	.	.			trans	-48.9	123.5	174.4	173.3	0	0	0	0	113.3	F445 Q461 N496 S511 G512	F445-S494 WeakPolarHBondContact CE1-OG 3.45Å; F445-S494 WeakPolarHBondContact CZ-OG 3.27Å; Q461-S494 VanDerWaalsContact O-CA 3.26Å; Q461-S494 WeakPolarHBondContact O-CA 3.33Å; Q461-S494 WeakPolarHBondContact O-CB 3.34Å; S494-N496 PolarHBondContact O-N 2.88Å; S494-S511 CarbonylContact O-C 3.44Å; S494-S511 VanDerWaalsContact O-CA 3.29Å; S494-S511 WeakPolarHBondContact O-CA 3.28Å; S494-G512 PolarHBondContact O-N 2.96Å
495	T	95.8	Very high	92.3	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	104.2	175.6	-59.1	0	0	0	0	109	F445 G459 S460 G463 V465 H491 D493 V498 S510	F445-T495 WeakPolarHBondContact CD1-O 3.49Å; F445-T495 WeakPolarHBondContact CE1-O 3.32Å; G459-T495 CarbonylContact C-O 3.52Å; G459-T495 WeakPolarHBondContact CA-O 3.5Å; S460-T495 PolarHBondContact O-N 2.85Å; G463-T495 VanDerWaalsContact C-OG1 3.32Å; G463-T495 VanDerWaalsContact CA-OG1 3.29Å; G463-T495 WeakPolarHBondContact CA-OG1 3.47Å; G463-T495 PolarHBondContact O-OG1 3.05Å; V465-T495 HydrophobicContact CG2-CG2 3.79Å; H491-T495 PolarHBondContact CD2-OG1 3.22Å; D493-T495 PolarHBondContact O-N 2.89Å; T495-V498 HydrophobicContact CG2-CG2 4.04Å; T495-S510 CarbonylContact C-O 3.49Å; T495-S510 WeakPolarHBondContact CA-O 3.25Å
496	N	95.2	Very high	92.9	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.011	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-30	-173	60.9	-0.9	0	0	0	114.1	L188 R189 F445 Q446 S494 S510 G512	L188-N496 VanDerWaalsContact C-ND2 3.27Å; L188-N496 PolarHBondContact O-ND2 3.23Å; R189-N496 WeakPolarHBondContact CA-ND2 3.39Å; F445-N496 WeakPolarHBondContact CA-O 3.4Å; F445-N496 HydrophobicContact CD1-CB 4.49Å; Q446-N496 PolarHBondContact N-O 3.32Å; S494-N496 PolarHBondContact O-N 2.88Å; N496-S510 PolarHBondContact N-O 3.17Å; N496-S510 PolarHBondContact OD1-O 3.14Å; N496-S510 PolarHBondContact OD1-OG 3.5Å; N496-G512 PolarHBondContact ND2-O 3.32Å
497	G	95.7	Very high	93.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136	173.5	0	0	0	0	0	111.9	C191 T509 S510	C191-G497 VanDerWaalsContact SG-C 3.58Å; G497-T509 CarbonylContact O-C 3.48Å; G497-T509 VanDerWaalsContact O-CA 3.28Å; G497-T509 WeakPolarHBondContact O-CA 3.43Å; G497-S510 WeakPolarHBondContact CA-OG 3.21Å; G497-S510 PolarHBondContact N-O 2.87Å; G497-S510 PolarHBondContact N-OG 2.74Å; G497-S510 PolarHBondContact O-N 2.62Å
498	V	97.2	Very high	93.7	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.018	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	125.7	171.9	177.5	0	0	0	0	106.5	F457 G459 V465 T495 I507 A508 T509	F457-V498 HydrophobicContact CB-CG1 3.7Å; G459-V498 VanDerWaalsContact N-CG2 3.32Å; V465-V498 HydrophobicContact CG1-CG1 4.48Å; V465-V498 HydrophobicContact CG1-CG2 4.37Å; V465-V498 HydrophobicContact CG2-CG2 4.22Å; T495-V498 HydrophobicContact CG2-CG2 4.04Å; V498-I507 HydrophobicContact CG1-CG2 4.05Å; V498-A508 WeakPolarHBondContact CA-O 3.13Å; V498-T509 HydrophobicContact CG2-CG2 4.5Å
499	S	97.4	Very high	94	Very high	9 Å²	9	16.6 Å²	16.6	6%	0.063	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	128.6	175.8	-174.8	0	0	0	0	109.2	W193 D448 A508	W193-S499 VanDerWaalsContact CD1-OG 3.32Å; W193-S499 PolarHBondContact N-OG 2.84Å; W193-S499 VanDerWaalsContact N-OG 3.12Å; W193-S499 PolarHBondContact NE1-O 2.86Å; D448-S499 WeakPolarHBondContact OD2-CA 3.1Å; S499-A508 PolarHBondContact N-O 2.85Å; S499-A508 PolarHBondContact O-N 2.81Å
500	V	95.9	Very high	94.2	Very high	8 Å²	8	14 Å²	14	5%	0.048	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	137.2	179.7	-176.2	0	0	0	0	108.3	W160 W193 D448 E450 F457 I507	W160-V500 HydrophobicContact CH2-CG1 4.46Å; W193-V500 VanDerWaalsContact CD1-C 3.5Å; D448-V500 HydrophobicContact CB-CG2 4.15Å; D448-V500 PolarHBondContact OD2-N 2.91Å; E450-V500 HydrophobicContact CB-CG1 4.43Å; F457-V500 HydrophobicContact CB-CG2 4.32Å; F457-V500 HydrophobicContact CD2-CG2 3.38Å; F457-V500 HydrophobicContact CE2-CG2 3.98Å; F457-V500 HydrophobicContact CG-CG2 4.12Å; V500-I507 HydrophobicContact CG2-CG1 4.46Å
501	H	95.2	Very high	94.3	Very high	6 Å²	6	13.9 Å²	13.9	3%	0.028	9%	0.09	C	C	.	.			trans	-68.5	140.5	176.5	-174.6	-77.8	0	0	0	110.3	W193 G197 S503 L504 I506	W193-H501 HydrophobicContact CD2-CB 4.42Å; W193-H501 AromaticContact CD2-CD2 3.85Å; W193-H501 AromaticContact CE2-CD2 3.91Å; W193-H501 AromaticContact CE3-CD2 3.7Å; W193-H501 AromaticContact CH2-CD2 3.74Å; W193-H501 HydrophobicContact CZ2-CB 4.39Å; W193-H501 AromaticContact CZ2-CD2 3.88Å; W193-H501 AromaticContact CZ3-CD2 3.65Å; G197-H501 WeakPolarHBondContact CA-NE2 3.48Å; G197-H501 PolarHBondContact O-NE2 2.94Å; G197-H501 VanDerWaalsContact O-NE2 3.07Å; H501-S503 VanDerWaalsContact C-N 3.32Å; H501-S503 PolarHBondContact CE1-OG 2.83Å; H501-S503 PolarHBondContact ND1-N 3.13Å; H501-S503 VanDerWaalsContact ND1-N 3.19Å; H501-S503 PolarHBondContact O-N 2.91Å; H501-L504 WeakPolarHBondContact ND1-CB 3.4Å; H501-L504 PolarHBondContact ND1-N 3.38Å; H501-I506 HydrophobicContact CB-CB 3.87Å; H501-I506 WeakPolarHBondContact CB-O 3.35Å; H501-I506 PolarHBondContact N-O 2.8Å
502	P	92.8	Very high	94.2	Very high	47 Å²	47	13.8 Å²	13.8	31%	0.305	9%	0.09	S	C	.	.	S	Bend	trans	-68.4	-21.1	-171.9	23.6	-34.6	0	0	0	115.7	P195 P451	P195-P502 WeakPolarHBondContact O-CG 3.4Å; P451-P502 VanDerWaalsContact CG-O 3.31Å; P451-P502 WeakPolarHBondContact CG-O 3.41Å
503	S	88.6	Confident	94.2	Very high	96 Å²	96	11.2 Å²	11.2	67%	0.671	7%	0.072	S	C	*	.	S	Bend	trans	-132.4	-49.8	-178.5	57.4	0	0	0	0	114.6	H501	H501-S503 VanDerWaalsContact C-N 3.32Å; H501-S503 PolarHBondContact CE1-OG 2.83Å; H501-S503 PolarHBondContact ND1-N 3.13Å; H501-S503 VanDerWaalsContact ND1-N 3.19Å; H501-S503 PolarHBondContact O-N 2.91Å
504	L	89.9	Confident	94	Very high	40 Å²	40	17.2 Å²	17.2	21%	0.209	9%	0.094	C	C	.	.	S	Bend	trans	-75.1	155.4	178.8	-56.5	174.6	0	0	0	113.6	L214 L219 H501 I506	L214-L504 HydrophobicContact CD2-CD1 3.93Å; L219-L504 HydrophobicContact CD2-CD1 3.97Å; H501-L504 WeakPolarHBondContact ND1-CB 3.4Å; H501-L504 PolarHBondContact ND1-N 3.38Å; L504-I506 HydrophobicContact CB-CD1 3.76Å; L504-I506 HydrophobicContact CB-CG1 3.97Å; L504-I506 HydrophobicContact CD1-CD1 3.76Å; L504-I506 HydrophobicContact CG-CD1 4.42Å; L504-I506 PolarHBondContact O-N 3.02Å
505	P	89.7	Confident	93.5	Very high	19 Å²	19	19.1 Å²	19.1	12%	0.123	10%	0.102	C	C	.	.	S	Bend	trans	-74.9	53.3	175.8	32.4	-36.8	0	0	0	113.3	V158 W160 T624 F625 L627	V158-P505 HydrophobicContact CB-CB 4.29Å; V158-P505 HydrophobicContact CG1-CB 3.84Å; V158-P505 HydrophobicContact CG2-CB 3.61Å; V158-P505 HydrophobicContact CG2-CG 4.19Å; W160-P505 HydrophobicContact CH2-CB 4.1Å; W160-P505 HydrophobicContact CZ2-CB 4.31Å; P505-T624 WeakPolarHBondContact O-CA 3.36Å; P505-F625 HydrophobicContact CB-CB 4.47Å; P505-F625 PolarHBondContact O-N 2.74Å; P505-F625 VanDerWaalsContact O-N 3.1Å; P505-L627 HydrophobicContact CG-CD2 4.25Å; P505-L627 HydrophobicContact CG-CG 4.31Å
506	I	92.7	Very high	92.6	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.015	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140.5	-174.4	-57.4	169	0	0	0	110.5	I168 W193 L214 V218 H501 L504 L622 W623	I168-I506 HydrophobicContact CD1-CG1 4.49Å; W193-I506 HydrophobicContact CZ2-CG2 3.84Å; L214-I506 HydrophobicContact CD1-CD1 4.11Å; V218-I506 HydrophobicContact CG1-CD1 3.51Å; H501-I506 HydrophobicContact CB-CB 3.87Å; H501-I506 WeakPolarHBondContact CB-O 3.35Å; H501-I506 PolarHBondContact N-O 2.8Å; L504-I506 HydrophobicContact CB-CD1 3.76Å; L504-I506 HydrophobicContact CB-CG1 3.97Å; L504-I506 HydrophobicContact CD1-CD1 3.76Å; L504-I506 HydrophobicContact CG-CD1 4.42Å; L504-I506 PolarHBondContact O-N 3.02Å; I506-L622 HydrophobicContact CG2-CB 4.32Å; I506-W623 CarbonylContact C-O 3.4Å; I506-W623 WeakPolarHBondContact CA-O 3.27Å
507	I	95.5	Very high	91.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.2	172.9	-59.4	177.2	0	0	0	109.3	W160 F457 W488 V498 V500 T509 L622 W623 F625	W160-I507 HydrophobicContact CE3-CD1 3.91Å; W160-I507 HydrophobicContact CE3-CG1 4.42Å; W160-I507 HydrophobicContact CH2-CD1 4.4Å; W160-I507 HydrophobicContact CH2-CG1 4.08Å; W160-I507 HydrophobicContact CZ3-CD1 3.59Å; W160-I507 HydrophobicContact CZ3-CG1 3.6Å; F457-I507 HydrophobicContact CD1-CD1 3.41Å; F457-I507 VanDerWaalsContact CD1-CD1 3.41Å; F457-I507 HydrophobicContact CD2-CD1 4.09Å; F457-I507 HydrophobicContact CE1-CD1 3.3Å; F457-I507 HydrophobicContact CE2-CD1 4Å; F457-I507 HydrophobicContact CG-CD1 3.8Å; F457-I507 HydrophobicContact CZ-CD1 3.62Å; W488-I507 HydrophobicContact CH2-CD1 4.04Å; V498-I507 HydrophobicContact CG1-CG2 4.05Å; V500-I507 HydrophobicContact CG2-CG1 4.46Å; I507-T509 HydrophobicContact CG2-CG2 3.97Å; I507-L622 WeakPolarHBondContact O-CA 3.08Å; I507-W623 PolarHBondContact N-O 2.87Å; I507-W623 PolarHBondContact O-N 2.86Å; I507-F625 HydrophobicContact CD1-CE2 3.6Å; I507-F625 HydrophobicContact CD1-CZ 3.91Å; I507-F625 HydrophobicContact CG1-CE2 4.02Å
508	A	97.4	Very high	90	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134	169.2	0	0	0	0	0	109.6	W193 I200 V498 S499 L622	W193-A508 HydrophobicContact CZ2-CB 4.11Å; I200-A508 HydrophobicContact CD1-CB 4.11Å; I200-A508 HydrophobicContact CG2-CB 4.41Å; V498-A508 WeakPolarHBondContact CA-O 3.13Å; S499-A508 PolarHBondContact N-O 2.85Å; S499-A508 PolarHBondContact O-N 2.81Å; A508-L622 HydrophobicContact CB-CD2 3.78Å
509	T	97.8	Very high	88.5	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.4	178.3	59.9	0	0	0	0	110.1	V465 H491 G497 V498 I507 L620 K621 W623	V465-T509 HydrophobicContact CG2-CG2 3.96Å; H491-T509 WeakPolarHBondContact NE2-CB 3.37Å; H491-T509 PolarHBondContact NE2-OG1 3.2Å; G497-T509 CarbonylContact O-C 3.48Å; G497-T509 VanDerWaalsContact O-CA 3.28Å; G497-T509 WeakPolarHBondContact O-CA 3.43Å; V498-T509 HydrophobicContact CG2-CG2 4.5Å; I507-T509 HydrophobicContact CG2-CG2 3.97Å; T509-L620 WeakPolarHBondContact O-CA 3.36Å; T509-K621 PolarHBondContact N-O 2.84Å; T509-K621 PolarHBondContact O-N 3.09Å; T509-K621 PolarHBondContact OG1-O 3.11Å; T509-W623 PolarHBondContact OG1-NE1 2.85Å
510	S	96.7	Very high	87	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.7	175.1	48.1	0	0	0	0	111.9	G190 C191 T495 N496 G497 R619	G190-S510 VanDerWaalsContact C-OG 3.26Å; C191-S510 PolarHBondContact N-OG 3.1Å; C191-S510 PolarHBondContact SG-OG 3.49Å; T495-S510 CarbonylContact C-O 3.49Å; T495-S510 WeakPolarHBondContact CA-O 3.25Å; N496-S510 PolarHBondContact N-O 3.17Å; N496-S510 PolarHBondContact OD1-O 3.14Å; N496-S510 PolarHBondContact OD1-OG 3.5Å; G497-S510 WeakPolarHBondContact CA-OG 3.21Å; G497-S510 PolarHBondContact N-O 2.87Å; G497-S510 PolarHBondContact N-OG 2.74Å; G497-S510 PolarHBondContact O-N 2.62Å; S510-R619 WeakPolarHBondContact CA-O 3.49Å
511	S	95.3	Very high	85.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	154.4	-178.9	51.5	0	0	0	0	114.5	L188 H491 S494 E617 R619	L188-S511 WeakPolarHBondContact CB-O 3.33Å; L188-S511 VanDerWaalsContact CD1-O 3.32Å; L188-S511 WeakPolarHBondContact CD1-O 3.47Å; L188-S511 PolarHBondContact N-O 2.56Å; H491-S511 WeakPolarHBondContact ND1-CB 3.27Å; H491-S511 PolarHBondContact ND1-OG 2.5Å; S494-S511 CarbonylContact O-C 3.44Å; S494-S511 VanDerWaalsContact O-CA 3.29Å; S494-S511 WeakPolarHBondContact O-CA 3.28Å; S511-E617 PolarHBondContact OG-O 2.74Å; S511-R619 PolarHBondContact N-O 3.49Å; S511-R619 PolarHBondContact OG-N 2.61Å; S511-R619 PolarHBondContact OG-O 2.96Å; S511-R619 VanDerWaalsContact OG-O 3.07Å
512	G	91.8	Very high	83.7	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.339	C	S	.	.			trans	137.4	143.6	165.8	0	0	0	0	0	112.8	D493 S494 N496 E617	D493-G512 WeakPolarHBondContact OD2-CA 3.2Å; S494-G512 PolarHBondContact O-N 2.96Å; N496-G512 PolarHBondContact ND2-O 3.32Å; G512-E617 WeakPolarHBondContact CA-O 3.46Å
513	Q	91	Very high	81.7	Confident	2 Å²	2	71.6 Å²	71.6	1%	0.009	36%	0.361	C	S	.	.			trans	-130.2	155.8	174	66.6	-173.9	-34.2	0	0	114.2	N185 Q461 D493 R515 L611	N185-Q513 PolarHBondContact OD1-O 2.79Å; Q461-Q513 VanDerWaalsContact NE2-OE1 3.11Å; D493-Q513 VanDerWaalsContact OD1-CD 3.31Å; D493-Q513 VanDerWaalsContact OD1-CG 3.3Å; D493-Q513 WeakPolarHBondContact OD1-CG 3.41Å; D493-Q513 PolarHBondContact OD1-NE2 2.97Å; D493-Q513 PolarHBondContact OD2-N 3.21Å; Q513-R515 PolarHBondContact O-N 3.13Å; Q513-L611 PolarHBondContact NE2-O 3.05Å
514	R	88.3	Confident	79.5	Confident	126 Å²	126	73.3 Å²	73.3	48%	0.475	37%	0.367	S	S	.	.			trans	-66	118	175.5	-174.1	180	177.5	83.2	-1.4	110.1	N185 Y187	N185-R514 WeakPolarHBondContact OD1-CA 3.48Å; Y187-R514 HydrophobicContact CD1-CB 4.41Å; Y187-R514 HydrophobicContact CE1-CB 3.71Å; Y187-R514 HydrophobicContact CE1-CG 4.05Å; Y187-R514 HydrophobicContact CE2-CB 4.48Å
515	R	84.1	Confident	77.2	Confident	41 Å²	41	76.5 Å²	76.5	16%	0.155	39%	0.392	C	S	.	.			trans	-90.2	131.1	172.1	-51.5	-58.5	175.6	94.1	-9.4	110.9	N185 D493 Q513 E566 L614 P615 K616	N185-R515 PolarHBondContact ND2-O 3.46Å; N185-R515 VanDerWaalsContact ND2-O 3.16Å; N185-R515 PolarHBondContact OD1-N 3.39Å; D493-R515 IonicContact OD1-NH2 3Å; D493-R515 PolarHBondContact OD1-NH2 3.15Å; D493-R515 VanDerWaalsContact OD1-NH2 3.14Å; D493-R515 IonicContact OD2-CZ 3.32Å; D493-R515 IonicContact OD2-NE 2.78Å; D493-R515 IonicContact OD2-NH2 3.72Å; D493-R515 PolarHBondContact OD2-NH2 3.47Å; Q513-R515 PolarHBondContact O-N 3.13Å; R515-E566 IonicContact NH1-OE1 2.92Å; R515-E566 PolarHBondContact NH1-OE1 2.81Å; R515-L614 VanDerWaalsContact CZ-O 3.22Å; R515-L614 PolarHBondContact NH1-O 3.11Å; R515-L614 PolarHBondContact NH2-O 3.45Å; R515-P615 PolarHBondContact NH2-O 3.26Å; R515-K616 VanDerWaalsContact NH2-CA 3.31Å
516	I	76.5	Confident	74.7	Confident	141 Å²	141	84.9 Å²	84.9	72%	0.723	43%	0.426	S	S	*	.			trans	-107.8	112.8	172.3	-58.3	174.4	0	0	0	106.5	Q518	I516-Q518 PolarHBondContact O-N 3.47Å
517	K	71.2	Confident	71.9	Confident	147 Å²	147	94 Å²	94	64%	0.639	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-66.7	123.5	169.8	-67.5	-173.6	178.7	-174.7	0	107.5
518	Q	64.2	Low	68.9	Low	155 Å²	155	102.4 Å²	102.4	72%	0.724	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-61.2	137	169.6	-69.7	-175.7	-6.2	0	0	108.1	I516 N520	I516-Q518 PolarHBondContact O-N 3.47Å; Q518-N520 PolarHBondContact O-N 3.4Å; Q518-N520 VanDerWaalsContact O-N 3.15Å
519	P	65.7	Low	65.7	Low	106 Å²	106	114.1 Å²	114.1	69%	0.688	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-61.3	122.7	173.4	25.2	-31	0	0	0	107.7	L521	P519-L521 PolarHBondContact O-N 2.94Å
520	N	66.2	Low	62.5	Low	152 Å²	152	120.3 Å²	120.3	81%	0.813	59%	0.588	S	S	*	*			trans	-65.3	92.8	165.9	-72.7	-22	0	0	0	106.7	Q518 K522	Q518-N520 PolarHBondContact O-N 3.4Å; Q518-N520 VanDerWaalsContact O-N 3.15Å; N520-K522 PolarHBondContact O-N 3.44Å
521	L	64.5	Low	59.1	Low	146 Å²	146	126.2 Å²	126.2	76%	0.764	62%	0.624	S	S	*	*			trans	-63.8	88.1	158.3	-86.9	116.2	0	0	0	105.2	P519 N523	P519-L521 PolarHBondContact O-N 2.94Å; L521-N523 PolarHBondContact O-N 3.02Å
522	K	57.7	Low	56	Low	186 Å²	186	134.9 Å²	134.9	81%	0.809	66%	0.664	S	S	*	*			trans	-49.9	114.7	161.2	-71.1	-176.3	177.1	-177.8	0	104.3	N520 V524	N520-K522 PolarHBondContact O-N 3.44Å; K522-V524 PolarHBondContact O-N 2.91Å
523	N	51.5	Low	52.9	Low	144 Å²	144	141.8 Å²	141.8	77%	0.77	71%	0.707	S	S	*	*			trans	-38	108.2	175.1	-78.9	-30.8	0	0	0	106.7	L521 C525	L521-N523 PolarHBondContact O-N 3.02Å; N523-C525 PolarHBondContact O-N 2.99Å
524	V	43	Very low	49.6	Very low	131 Å²	131	147.7 Å²	147.7	79%	0.794	74%	0.743	S	S	*	*			trans	-56.3	107.8	173.4	170.6	0	0	0	0	102.4	K522 K526	K522-V524 PolarHBondContact O-N 2.91Å; V524-K526 PolarHBondContact O-N 3.32Å
525	C	40.6	Very low	46.7	Very low	108 Å²	108	150 Å²	150	73%	0.73	76%	0.764	S	S	*	*			trans	-46.2	110.5	-174.6	-137.3	0	0	0	0	104.9	N523 K527	N523-C525 PolarHBondContact O-N 2.99Å; C525-K527 PolarHBondContact O-N 3.34Å
526	K	36.9	Very low	43.7	Very low	194 Å²	194	156.4 Å²	156.4	84%	0.843	80%	0.795	S	S	*	*			trans	-56.4	99.1	165.6	-73.9	178.8	-179.8	173.5	0	101.9	V524 Q528	V524-K526 PolarHBondContact O-N 3.32Å; K526-Q528 PolarHBondContact O-N 2.74Å
527	K	33.7	Very low	41.3	Very low	196 Å²	196	156 Å²	156	85%	0.852	80%	0.8	S	S	*	*			trans	-57.5	95.4	172.7	-81.4	-177.4	174.7	-180	0	103.5	C525 R529	C525-K527 PolarHBondContact O-N 3.34Å; K527-R529 VanDerWaalsContact C-N 3.33Å; K527-R529 PolarHBondContact O-N 3.18Å
528	Q	32.7	Very low	39	Very low	175 Å²	175	157.7 Å²	157.7	82%	0.818	81%	0.81	S	S	*	*			trans	-51.8	111.3	162.1	-73.5	174.7	-9	0	0	102.9	K526 T530	K526-Q528 PolarHBondContact O-N 2.74Å; Q528-T530 PolarHBondContact O-N 2.88Å
529	R	30.2	Very low	36.8	Very low	246 Å²	246	158 Å²	158	93%	0.928	81%	0.811	S	S	*	*			trans	-57.8	98.9	169	-89	178.4	168.2	177.7	-4.5	104.9	K527 T531	K527-R529 VanDerWaalsContact C-N 3.33Å; K527-R529 PolarHBondContact O-N 3.18Å; R529-T531 PolarHBondContact O-N 3.35Å; R529-T531 VanDerWaalsContact O-N 3.17Å
530	T	29.8	Very low	34.8	Very low	131 Å²	131	159.1 Å²	159.1	80%	0.804	82%	0.818	S	S	*	*			trans	-57.1	118.5	162	36.4	0	0	0	0	106.2	Q528	Q528-T530 PolarHBondContact O-N 2.88Å
531	T	26.7	Very low	32.7	Very low	123 Å²	123	158.1 Å²	158.1	76%	0.755	81%	0.812	S	S	*	*			trans	-32.5	129.7	167.7	45.9	0	0	0	0	112.9	R529	R529-T531 PolarHBondContact O-N 3.35Å; R529-T531 VanDerWaalsContact O-N 3.17Å
532	E	28.7	Very low	31	Very low	182 Å²	182	156.6 Å²	156.6	85%	0.85	81%	0.814	S	S	*	*			trans	164	85.8	138.8	-91.6	170.5	-157.6	0	0	109.8
533	T	26.9	Very low	29.3	Very low	146 Å²	146	154.3 Å²	154.3	90%	0.896	81%	0.811	S	S	*	*			trans	-166.7	106.7	133.2	2.3	0	0	0	0	109.1	L535	T533-L535 PolarHBondContact O-N 3.21Å
534	T	23.5	Very low	28.3	Very low	126 Å²	126	157.4 Å²	157.4	77%	0.773	82%	0.817	S	S	*	*			trans	-58.6	112.1	171.4	-36.9	0	0	0	0	109.9
535	L	27.2	Very low	27.3	Very low	173 Å²	173	158.5 Å²	158.5	91%	0.906	82%	0.819	S	S	*	*			trans	-139.4	108.4	153.8	-78.3	178.2	0	0	0	108.3	T533	T533-L535 PolarHBondContact O-N 3.21Å
536	E	20.6	Very low	26.8	Very low	176 Å²	176	161.5 Å²	161.5	82%	0.822	83%	0.825	S	S	*	*			trans	-59.5	126.2	172.8	-56.5	169.9	150.8	0	0	110.4
537	V	26.1	Very low	26.2	Very low	134 Å²	134	157 Å²	157	81%	0.812	82%	0.819	S	S	*	*			trans	-156.9	104.4	137.6	179.9	0	0	0	0	108.8
538	Q	22	Very low	25.8	Very low	182 Å²	182	152.1 Å²	152.1	85%	0.85	81%	0.809	S	S	*	*			trans	35.7	121.4	141.5	-62.7	176.6	-8.3	0	0	121.3
539	Q	19.1	Very low	25.6	Very low	160 Å²	160	152 Å²	152	75%	0.748	81%	0.814	S	S	*	*			trans	-50.5	154.6	157.6	-70.9	168.5	-31.4	0	0	113.1	L541	Q539-L541 HydrophobicContact CB-CD1 4.36Å
540	P	23.6	Very low	25.3	Very low	130 Å²	130	149.4 Å²	149.4	84%	0.844	81%	0.813	S	S	*	*				-124.2	130.4	116.7	28.3	-17.5	0	0	0	112.2
541	L	21.9	Very low	25.4	Very low	132 Å²	132	148.7 Å²	148.7	69%	0.691	81%	0.813	S	S	*	*			trans	-70	138.1	164.1	-67.7	96.8	0	0	0	110.1	Q539	Q539-L541 HydrophobicContact CB-CD1 4.36Å
542	S	27.9	Very low	25.4	Very low	114 Å²	114	147 Å²	147	80%	0.797	81%	0.811	S	S	*	*			trans	-164	110.4	139.5	61.2	0	0	0	0	111.8
543	D	23	Very low	25.4	Very low	138 Å²	138	146.2 Å²	146.2	74%	0.738	81%	0.812	S	S	*	*			trans	-25	141.9	158.7	-56	-51.9	0	0	0	117.8
544	K	30.3	Very low	25.2	Very low	208 Å²	208	147.2 Å²	147.2	90%	0.904	81%	0.812	S	S	*	*				-165.2	108.5	122.8	-105.2	172.6	-172.1	-177	0	111.8
545	N	22.2	Very low	25.5	Very low	155 Å²	155	145.4 Å²	145.4	83%	0.829	80%	0.804	S	S	*	*			trans	-65.8	133.3	167.8	-73.4	-43.1	0	0	0	111.5
546	I	29.1	Very low	25.4	Very low	170 Å²	170	142.7 Å²	142.7	87%	0.872	80%	0.8	S	S	*	*			trans	-130.1	100.7	150.4	-64.1	179.9	0	0	0	106.7
547	S	24.6	Very low	25.8	Very low	101 Å²	101	141.1 Å²	141.1	71%	0.706	80%	0.797	S	S	*	*			trans	-63.2	158.6	154.7	61.6	0	0	0	0	108.4
548	S	25.3	Very low	25.9	Very low	92 Å²	92	139.6 Å²	139.6	64%	0.643	79%	0.792	S	S	*	*			cis	-172.3	135.9	15.1	35.1	0	0	0	0	104.4
549	N	28	Very low	26.1	Very low	172 Å²	172	139.4 Å²	139.4	92%	0.92	79%	0.792	S	S	*	*			trans	-151	94.2	144	-96.4	-18.8	0	0	0	106.8
550	Q	25.4	Very low	26.4	Very low	193 Å²	193	136 Å²	136	90%	0.902	79%	0.786	S	S	*	*			trans	-76	118.8	166.6	-74.3	172.7	-25.3	0	0	107.9
551	S	30.7	Very low	26.7	Very low	115 Å²	115	136 Å²	136	80%	0.804	79%	0.789	S	S	*	*			trans	-128.3	100.3	146	57.3	0	0	0	0	106.1	L553	S551-L553 PolarHBondContact O-N 3.15Å
552	A	27.1	Very low	27.3	Very low	88 Å²	88	133.2 Å²	133.2	73%	0.727	78%	0.78	S	S	*	*			trans	-67.6	115.2	175.1	0	0	0	0	0	109.5
553	L	29.1	Very low	28	Very low	166 Å²	166	132.4 Å²	132.4	87%	0.869	77%	0.774	S	S	*	*			trans	-131.4	82.7	153.2	-83.6	163.6	0	0	0	105.2	S551 S555	S551-L553 PolarHBondContact O-N 3.15Å; L553-S555 PolarHBondContact O-N 3.31Å; L553-S555 VanDerWaalsContact O-N 3.15Å
554	D	22	Very low	29.4	Very low	167 Å²	167	130.1 Å²	130.1	89%	0.893	77%	0.768	S	S	*	*			trans	-67	99.4	162.8	-79.2	-35.1	0	0	0	107.6
555	S	29.4	Very low	31.3	Very low	88 Å²	88	125.4 Å²	125.4	62%	0.615	75%	0.753	S	S	*	*			trans	-121	105	152	57.6	0	0	0	0	106.9	L553 D557	L553-S555 PolarHBondContact O-N 3.31Å; L553-S555 VanDerWaalsContact O-N 3.15Å; S555-D557 VanDerWaalsContact C-N 3.32Å; S555-D557 PolarHBondContact O-N 3.41Å
556	S	26.7	Very low	34	Very low	115 Å²	115	123.1 Å²	123.1	80%	0.804	74%	0.737	S	S	*	*			trans	-56.1	95.8	167.1	51.4	0	0	0	0	109.1	S558	S556-S558 PolarHBondContact O-N 3.06Å
557	D	28.4	Very low	36.6	Very low	143 Å²	143	120.1 Å²	120.1	77%	0.765	72%	0.718	S	S	*	*			trans	-69.1	87	163.2	-76.4	-22.3	0	0	0	107.1	S555 E559	S555-D557 VanDerWaalsContact C-N 3.32Å; S555-D557 PolarHBondContact O-N 3.41Å; D557-E559 VanDerWaalsContact C-N 3.27Å; D557-E559 PolarHBondContact O-N 3.13Å
558	S	28.5	Very low	39.4	Very low	102 Å²	102	123.2 Å²	123.2	71%	0.713	72%	0.721	S	S	*	*			trans	-61.3	98.3	158.1	49.4	0	0	0	0	106.9	S556 S560	S556-S558 PolarHBondContact O-N 3.06Å; S558-S560 PolarHBondContact O-N 3.46Å
559	E	25.5	Very low	42.3	Very low	179 Å²	179	119.5 Å²	119.5	84%	0.836	69%	0.694	S	S	*	*			trans	-60.4	77.3	169	-67.8	-171.4	161.5	0	0	109.4	D557 S561	D557-E559 VanDerWaalsContact C-N 3.27Å; D557-E559 PolarHBondContact O-N 3.13Å; E559-S561 PolarHBondContact O-N 3.48Å
560	S	26.1	Very low	45	Very low	89 Å²	89	113.8 Å²	113.8	62%	0.622	67%	0.667	S	S	*	*			trans	-72.5	113.3	161.1	55.2	0	0	0	0	106.9	S558 S562	S558-S560 PolarHBondContact O-N 3.46Å; S560-S562 VanDerWaalsContact C-N 3.28Å; S560-S562 PolarHBondContact O-N 3.2Å
561	S	29.5	Very low	47.8	Very low	130 Å²	130	109.6 Å²	109.6	91%	0.909	65%	0.651	S	S	*	*			trans	-56.8	88.5	166.8	55.2	0	0	0	0	110.4	E559	E559-S561 PolarHBondContact O-N 3.48Å
562	S	34	Very low	50.3	Low	72 Å²	72	108.7 Å²	108.7	50%	0.503	65%	0.645	S	S	.	*			trans	-122	139.4	168.2	51.9	0	0	0	0	109.6	S560	S560-S562 VanDerWaalsContact C-N 3.28Å; S560-S562 PolarHBondContact O-N 3.2Å
563	S	42.6	Very low	53.1	Low	98 Å²	98	108.3 Å²	108.3	69%	0.685	63%	0.628	S	S	*	*			trans	-31.6	142.1	171.3	44.9	0	0	0	0	114	D565	S563-D565 PolarHBondContact O-N 3.06Å
564	C	52.1	Low	55.6	Low	90 Å²	90	100.4 Å²	100.4	61%	0.608	59%	0.587	S	S	*	*			trans	-35	100.6	169.6	-51.6	0	0	0	0	112	E566	C564-E566 PolarHBondContact O-N 3.06Å
565	D	70.5	Confident	58.6	Low	108 Å²	108	95.1 Å²	95.1	58%	0.578	56%	0.56	S	S	*	*			trans	-64.6	119.9	-177.1	-66.4	-42.9	0	0	0	108.8	S563	S563-D565 PolarHBondContact O-N 3.06Å
566	E	79.3	Confident	61.1	Low	107 Å²	107	93.8 Å²	93.8	50%	0.5	55%	0.546	S	S	.	.			trans	-60.8	140.2	171.3	-61.8	-166.5	140.3	0	0	108.6	R515 C564 L613 P615 K616	R515-E566 IonicContact NH1-OE1 2.92Å; R515-E566 PolarHBondContact NH1-OE1 2.81Å; C564-E566 PolarHBondContact O-N 3.06Å; E566-L613 CarbonylContact C-O 3.56Å; E566-L613 VanDerWaalsContact CA-O 3.29Å; E566-L613 WeakPolarHBondContact CA-O 3.4Å; E566-P615 WeakPolarHBondContact OE2-CA 3.39Å; E566-K616 WeakPolarHBondContact OE1-CB 3.12Å; E566-K616 PolarHBondContact OE1-N 3.11Å; E566-K616 VanDerWaalsContact OE1-N 3.09Å; E566-K616 PolarHBondContact OE2-N 3.2Å
567	K	83.3	Confident	63.6	Low	107 Å²	107	89.3 Å²	89.3	47%	0.465	51%	0.513	S	S	.	.			trans	-115.3	118.5	-179.3	-67.6	-164.5	174.6	-162.6	0	109.6	L607 L613	K567-L607 HydrophobicContact CB-CD1 3.99Å; K567-L607 HydrophobicContact CB-CD2 4.12Å; K567-L607 HydrophobicContact CD-CD2 3.74Å; K567-L613 HydrophobicContact CB-CB 4.4Å; K567-L613 HydrophobicContact CD-CD1 4.3Å; K567-L613 PolarHBondContact N-O 2.76Å
568	E	83.6	Confident	65.6	Low	166 Å²	166	85.4 Å²	85.4	78%	0.776	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-76.8	139.8	172.9	-69.8	-179.1	178.8	0	0	110.4	P615	E568-P615 HydrophobicContact CG-CG 3.56Å
569	L	86.1	Confident	67.1	Low	15 Å²	15	82.4 Å²	82.4	8%	0.079	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-93.9	137	165.9	-75.9	173	0	0	0	108.2	T462 E573 A574 A606 L607 L611 L614	T462-L569 HydrophobicContact CG2-CD1 3.8Å; L569-E573 HydrophobicContact CD2-CB 4.15Å; L569-A574 HydrophobicContact CB-CB 4.26Å; L569-A574 HydrophobicContact CD1-CB 4.5Å; L569-A606 HydrophobicContact CD2-CB 3.87Å; L569-L607 HydrophobicContact CD1-CD1 4.39Å; L569-L607 HydrophobicContact CD2-CB 4.16Å; L569-L607 HydrophobicContact CD2-CD1 3.56Å; L569-L607 HydrophobicContact CD2-CG 3.76Å; L569-L607 HydrophobicContact CG-CD1 3.69Å; L569-L607 HydrophobicContact CG-CG 4.43Å; L569-L611 HydrophobicContact CD1-CD2 3.89Å; L569-L614 HydrophobicContact CB-CD2 4.31Å; L569-L614 HydrophobicContact CD1-CD2 3.75Å; L569-L614 HydrophobicContact CG-CD2 3.8Å
570	S	86.1	Confident	68.7	Low	51 Å²	51	76.6 Å²	76.6	36%	0.357	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-65.7	155.7	165.3	63.9	0	0	0	0	110.7	S572 E573 A574	S570-S572 VanDerWaalsContact C-N 3.26Å; S570-S572 PolarHBondContact O-N 2.78Å; S570-S572 PolarHBondContact OG-OG 3.19Å; S570-E573 PolarHBondContact N-OE2 3.1Å; S570-E573 VanDerWaalsContact N-OE2 3.09Å; S570-E573 PolarHBondContact O-N 2.66Å; S570-E573 WeakPolarHBondContact OG-CB 3.13Å; S570-E573 WeakPolarHBondContact OG-CG 3.48Å; S570-E573 PolarHBondContact OG-N 2.87Å; S570-E573 PolarHBondContact OG-OE2 2.76Å; S570-A574 WeakPolarHBondContact O-CB 3.27Å; S570-A574 PolarHBondContact O-N 2.82Å
571	D	83.1	Confident	70.1	Confident	105 Å²	105	76 Å²	76	56%	0.561	44%	0.443	S	S	*	.	H	α-helix	trans	-61	-35.8	-179.1	-71.4	-25.9	0	0	0	112.5	R489 A574 V575	R489-D571 WeakPolarHBondContact CD-OD1 3.4Å; R489-D571 VanDerWaalsContact CG-OD1 3.31Å; R489-D571 WeakPolarHBondContact CG-OD1 3.44Å; D571-A574 PolarHBondContact O-N 3.19Å; D571-V575 VanDerWaalsContact O-CG2 3.26Å; D571-V575 WeakPolarHBondContact O-CG2 3.39Å; D571-V575 PolarHBondContact O-N 2.75Å
572	S	83.7	Confident	70.8	Confident	96 Å²	96	74 Å²	74	67%	0.671	42%	0.422	S	S	*	.	H	α-helix	trans	-66.2	-40.1	176.4	50.5	0	0	0	0	112.4	S570	S570-S572 VanDerWaalsContact C-N 3.26Å; S570-S572 PolarHBondContact O-N 2.78Å; S570-S572 PolarHBondContact OG-OG 3.19Å
573	E	85.8	Confident	71.5	Confident	81 Å²	81	74.9 Å²	74.9	38%	0.379	42%	0.424	S	S	.	.	H	α-helix	trans	-71.2	-35.4	175.7	-71.4	170	140	0	0	112.5	L569 S570 V575 L576 A606	L569-E573 HydrophobicContact CD2-CB 4.15Å; S570-E573 PolarHBondContact N-OE2 3.1Å; S570-E573 VanDerWaalsContact N-OE2 3.09Å; S570-E573 PolarHBondContact O-N 2.66Å; S570-E573 WeakPolarHBondContact OG-CB 3.13Å; S570-E573 WeakPolarHBondContact OG-CG 3.48Å; S570-E573 PolarHBondContact OG-N 2.87Å; S570-E573 PolarHBondContact OG-OE2 2.76Å; E573-V575 VanDerWaalsContact C-N 3.31Å; E573-V575 PolarHBondContact O-N 3.38Å; E573-L576 PolarHBondContact O-N 3.38Å; E573-A606 HydrophobicContact CB-CB 3.89Å; E573-A606 HydrophobicContact CG-CB 3.84Å
574	A	82	Confident	71.3	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-68.7	-31.4	-178.7	0	0	0	0	0	112.5	T462 V464 L569 S570 D571 L576	T462-A574 PolarHBondContact OG1-O 2.81Å; V464-A574 HydrophobicContact CG2-CB 3.77Å; V464-A574 WeakPolarHBondContact CG2-O 3.31Å; L569-A574 HydrophobicContact CB-CB 4.26Å; L569-A574 HydrophobicContact CD1-CB 4.5Å; S570-A574 WeakPolarHBondContact O-CB 3.27Å; S570-A574 PolarHBondContact O-N 2.82Å; D571-A574 PolarHBondContact O-N 3.19Å; A574-L576 VanDerWaalsContact C-N 3.33Å
575	V	85.3	Confident	70.8	Confident	55 Å²	55	72 Å²	72	33%	0.333	41%	0.412	S	S	.	.	H	α-helix	trans	-76.9	-17.2	178	172.8	0	0	0	0	112.5	V464 N487 D571 E573 M577	V464-V575 HydrophobicContact CG1-CG2 4.47Å; V464-V575 HydrophobicContact CG2-CG2 4.19Å; N487-V575 HydrophobicContact CB-CG1 3.95Å; N487-V575 HydrophobicContact CB-CG2 4.07Å; D571-V575 VanDerWaalsContact O-CG2 3.26Å; D571-V575 WeakPolarHBondContact O-CG2 3.39Å; D571-V575 PolarHBondContact O-N 2.75Å; E573-V575 VanDerWaalsContact C-N 3.31Å; E573-V575 PolarHBondContact O-N 3.38Å; V575-M577 WeakPolarHBondContact O-CE 3.3Å; V575-M577 WeakPolarHBondContact O-CG 3.36Å; V575-M577 PolarHBondContact O-N 2.86Å; V575-M577 VanDerWaalsContact O-N 3.14Å
576	L	81.1	Confident	69.2	Low	61 Å²	61	71.9 Å²	71.9	32%	0.319	42%	0.419	S	S	.	.			trans	-71.8	110.5	179.9	-167	66.2	0	0	0	111.3	R438 E573 A574 L605	R438-L576 WeakPolarHBondContact CD-O 3.32Å; E573-L576 PolarHBondContact O-N 3.38Å; A574-L576 VanDerWaalsContact C-N 3.33Å; L576-L605 HydrophobicContact CB-CD2 4.15Å; L576-L605 HydrophobicContact CD2-CD2 3.4Å; L576-L605 VanDerWaalsContact CD2-CD2 3.4Å; L576-L605 HydrophobicContact CG-CD2 3.47Å; L576-L605 VanDerWaalsContact CG-CD2 3.47Å
577	M	78.5	Confident	67.2	Low	21 Å²	21	72.4 Å²	72.4	10%	0.103	43%	0.434	C	S	.	.			trans	-93.2	-29.5	-174.5	-59.4	-60.7	162.8	0	0	113.9	R438 V464 C466 V575	R438-M577 HydrophobicContact CB-SD 3.85Å; R438-M577 PolarHBondContact N-SD 3Å; R438-M577 VanDerWaalsContact N-SD 3.41Å; V464-M577 HydrophobicContact CB-CE 4.25Å; V464-M577 HydrophobicContact CG1-CE 3.8Å; C466-M577 WeakPolarHBondContact SG-CE 3.18Å; V575-M577 WeakPolarHBondContact O-CE 3.3Å; V575-M577 WeakPolarHBondContact O-CG 3.36Å; V575-M577 PolarHBondContact O-N 2.86Å; V575-M577 VanDerWaalsContact O-N 3.14Å
578	T	70.9	Confident	64.7	Low	60 Å²	60	72.8 Å²	72.8	37%	0.368	45%	0.446	S	S	.	.	S	Bend	trans	-130.2	149.2	-178.4	49.6	0	0	0	0	110.7	H436 S580 L605	H436-T578 HydrophobicContact CB-CG2 4.44Å; T578-S580 PolarHBondContact O-N 3.07Å; T578-L605 WeakPolarHBondContact O-CD2 3.29Å
579	P	61.1	Low	62.3	Low	40 Å²	40	73.3 Å²	73.3	26%	0.26	45%	0.452	S	S	.	.			trans	-56.9	135.7	174.8	-19.5	30.9	0	0	0	110.5	V581 E602 L605	P579-V581 PolarHBondContact O-N 2.79Å; P579-E602 HydrophobicContact CB-CB 4.47Å; P579-L605 HydrophobicContact CG-CG 4.4Å
580	S	58.6	Low	59.8	Low	56 Å²	56	77.4 Å²	77.4	39%	0.392	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	122.6	172.9	-47.1	0	0	0	0	108.7	T578 F603	T578-S580 PolarHBondContact O-N 3.07Å; S580-F603 PolarHBondContact O-N 3.43Å
581	V	55	Low	57.4	Low	77 Å²	77	81 Å²	81	47%	0.467	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	111.7	171	167.6	0	0	0	0	107.5	P579 V583 V600 E602	P579-V581 PolarHBondContact O-N 2.79Å; V581-V583 HydrophobicContact CG1-CG2 3.89Å; V581-V600 HydrophobicContact CB-CG1 4.33Å; V581-V600 HydrophobicContact CG1-CB 4.36Å; V581-V600 HydrophobicContact CG1-CG1 3.52Å; V581-V600 HydrophobicContact CG1-CG2 4.2Å; V581-V600 HydrophobicContact CG2-CG1 4.03Å; V581-E602 HydrophobicContact CG2-CG 3.9Å
582	L	44.5	Very low	55.1	Low	89 Å²	89	79.3 Å²	79.3	47%	0.466	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	114.1	165.5	-169	77	0	0	0	107.8	T584 E601 F603	L582-T584 HydrophobicContact CD2-CG2 3.44Å; L582-T584 VanDerWaalsContact CD2-CG2 3.44Å; L582-T584 HydrophobicContact CG-CG2 3.88Å; L582-T584 PolarHBondContact O-N 3.47Å; L582-E601 PolarHBondContact N-O 2.68Å; L582-F603 HydrophobicContact CB-CE2 4.06Å
583	V	49.3	Very low	53	Low	90 Å²	90	83.7 Å²	83.7	55%	0.545	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	94.3	168.4	-176	0	0	0	0	107.3	V581 G585 P598	V581-V583 HydrophobicContact CG1-CG2 3.89Å; V583-G585 PolarHBondContact O-N 3Å; V583-P598 HydrophobicContact CG1-CB 3.92Å
584	T	38.1	Very low	50.6	Low	71 Å²	71	86.8 Å²	86.8	44%	0.436	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	103	170.2	52.7	0	0	0	0	109	L582 T599	L582-T584 HydrophobicContact CD2-CG2 3.44Å; L582-T584 VanDerWaalsContact CD2-CG2 3.44Å; L582-T584 HydrophobicContact CG-CG2 3.88Å; L582-T584 PolarHBondContact O-N 3.47Å; T584-T599 PolarHBondContact OG1-OG1 3.05Å
585	G	40.1	Very low	48.4	Very low	57 Å²	57	96 Å²	96	59%	0.588	59%	0.587	S	S	*	*			trans	179.1	73.8	177.2	0	0	0	0	0	111.4	V583 S587	V583-G585 PolarHBondContact O-N 3Å; G585-S587 PolarHBondContact O-N 3.45Å
586	S	37.8	Very low	46.2	Very low	105 Å²	105	99.4 Å²	99.4	73%	0.734	61%	0.607	S	S	*	*			trans	-68.9	108.5	168.2	54	0	0	0	0	108.8	T588	S586-T588 PolarHBondContact O-N 3.37Å
587	S	36.4	Very low	44.1	Very low	117 Å²	117	103 Å²	103	82%	0.818	63%	0.627	S	S	*	*			trans	-68.9	76.2	165.7	48.4	0	0	0	0	109.7	G585 I589	G585-S587 PolarHBondContact O-N 3.45Å; S587-I589 PolarHBondContact O-N 3.24Å
588	T	32.4	Very low	42.5	Very low	116 Å²	116	105.8 Å²	105.8	71%	0.712	65%	0.646	S	S	*	*			trans	-78.3	114	155.6	47.9	0	0	0	0	106.7	S586 S590	S586-T588 PolarHBondContact O-N 3.37Å; T588-S590 PolarHBondContact O-N 2.79Å
589	I	33.4	Very low	41.1	Very low	177 Å²	177	106.9 Å²	106.9	91%	0.908	65%	0.653	S	S	*	*			trans	-60.2	100.2	-179.7	-58.3	165.2	0	0	0	107.7	S587	S587-I589 PolarHBondContact O-N 3.24Å
590	S	33.5	Very low	40.7	Very low	100 Å²	100	108.8 Å²	108.8	70%	0.699	66%	0.664	S	S	*	*			trans	-142.9	118.8	159.8	75.5	0	0	0	0	109.6	T588 G592	T588-S590 PolarHBondContact O-N 2.79Å; S590-G592 PolarHBondContact O-N 2.75Å
591	S	34.8	Very low	40.3	Very low	127 Å²	127	111.7 Å²	111.7	89%	0.888	67%	0.672	S	S	*	*			trans	-39.3	120.5	174.6	51.2	0	0	0	0	113.8
592	G	35.4	Very low	40.4	Very low	69 Å²	69	113.9 Å²	113.9	71%	0.711	68%	0.676	S	S	*	*			trans	166.4	112	169.6	0	0	0	0	0	110.5	S590 N594	S590-G592 PolarHBondContact O-N 2.75Å; G592-N594 PolarHBondContact O-N 2.96Å
593	E	39.1	Very low	41.5	Very low	189 Å²	189	114.8 Å²	114.8	88%	0.883	68%	0.677	S	S	*	*	S	Bend	trans	-47.5	103.7	178.9	-63.4	168.5	162.2	0	0	111.9
594	N	34.8	Very low	42.7	Very low	145 Å²	145	115.3 Å²	115.3	78%	0.775	68%	0.682	S	S	*	*			trans	175.9	85.9	152.4	-87.6	-26	0	0	0	107.3	G592 T596	G592-N594 PolarHBondContact O-N 2.96Å; N594-T596 VanDerWaalsContact C-N 3.26Å; N594-T596 PolarHBondContact O-N 2.83Å
595	E	35.8	Very low	44.7	Very low	195 Å²	195	112.7 Å²	112.7	91%	0.911	67%	0.665	S	S	*	*			trans	-66.4	88.7	167.7	-74.3	-173.6	159.5	0	0	108.7	N597	E595-N597 PolarHBondContact O-N 2.77Å
596	T	39	Very low	46.7	Very low	125 Å²	125	111.1 Å²	111.1	77%	0.767	65%	0.647	S	S	*	*			trans	-67.8	108.9	162.1	44	0	0	0	0	107.4	N594	N594-T596 VanDerWaalsContact C-N 3.26Å; N594-T596 PolarHBondContact O-N 2.83Å
597	N	37.9	Very low	48.7	Very low	136 Å²	136	107.9 Å²	107.9	73%	0.727	62%	0.621	S	S	*	*			trans	-46.9	135.2	169.3	-78.4	-37.5	0	0	0	109.4	E595 T599	E595-N597 PolarHBondContact O-N 2.77Å; N597-T599 PolarHBondContact O-N 2.99Å; N597-T599 VanDerWaalsContact O-N 3.11Å
598	P	44	Very low	51	Low	80 Å²	80	107.9 Å²	107.9	52%	0.519	61%	0.606	S	S	.	*			trans	-55.8	122.1	178.3	21.5	-31.3	0	0	0	109.7	V583 V600	V583-P598 HydrophobicContact CG1-CB 3.92Å; P598-V600 PolarHBondContact O-N 3.35Å
599	T	41.4	Very low	53.4	Low	83 Å²	83	105.5 Å²	105.5	51%	0.509	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.7	109.5	172.6	46.4	0	0	0	0	108.1	T584 N597 E601	T584-T599 PolarHBondContact OG1-OG1 3.05Å; N597-T599 PolarHBondContact O-N 2.99Å; N597-T599 VanDerWaalsContact O-N 3.11Å; T599-E601 PolarHBondContact O-N 3.31Å
600	V	53.1	Low	55.9	Low	81 Å²	81	102.9 Å²	102.9	49%	0.491	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.1	99.6	168.2	167.9	0	0	0	0	107.3	V581 P598 E602	V581-V600 HydrophobicContact CB-CG1 4.33Å; V581-V600 HydrophobicContact CG1-CB 4.36Å; V581-V600 HydrophobicContact CG1-CG1 3.52Å; V581-V600 HydrophobicContact CG1-CG2 4.2Å; V581-V600 HydrophobicContact CG2-CG1 4.03Å; P598-V600 PolarHBondContact O-N 3.35Å; V600-E602 HydrophobicContact CG1-CG 4.22Å
601	E	49.9	Very low	58.4	Low	117 Å²	117	98.2 Å²	98.2	55%	0.547	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.8	108.1	166.4	-71.3	-167.4	167.3	0	0	108.4	L582 T599	L582-E601 PolarHBondContact N-O 2.68Å; T599-E601 PolarHBondContact O-N 3.31Å
602	E	57.9	Low	60.8	Low	122 Å²	122	95.5 Å²	95.5	57%	0.57	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	112.7	168.9	-79.6	-175.7	-168.7	0	0	109.2	P579 V581 V600 P604	P579-E602 HydrophobicContact CB-CB 4.47Å; V581-E602 HydrophobicContact CG2-CG 3.9Å; V600-E602 HydrophobicContact CG1-CG 4.22Å; E602-P604 WeakPolarHBondContact O-CD 3.29Å
603	F	67.4	Low	63.2	Low	108 Å²	108	94.7 Å²	94.7	47%	0.474	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	122.4	169.5	-71.5	-81	0	0	0	109.2	S580 L582 L605	S580-F603 PolarHBondContact O-N 3.43Å; L582-F603 HydrophobicContact CB-CE2 4.06Å; F603-L605 PolarHBondContact O-N 2.72Å
604	P	74.4	Confident	65.5	Low	101 Å²	101	85.7 Å²	85.7	66%	0.656	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-65.4	136.1	178.6	26.7	-32.9	0	0	0	110.1	E602	E602-P604 WeakPolarHBondContact O-CD 3.29Å
605	L	80.8	Confident	68	Low	16 Å²	16	79.6 Å²	79.6	8%	0.084	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-55.8	140.2	174.8	-64.1	172.2	0	0	0	111.3	L576 T578 P579 F603 L607 K608	L576-L605 HydrophobicContact CB-CD2 4.15Å; L576-L605 HydrophobicContact CD2-CD2 3.4Å; L576-L605 VanDerWaalsContact CD2-CD2 3.4Å; L576-L605 HydrophobicContact CG-CD2 3.47Å; L576-L605 VanDerWaalsContact CG-CD2 3.47Å; T578-L605 WeakPolarHBondContact O-CD2 3.29Å; P579-L605 HydrophobicContact CG-CG 4.4Å; F603-L605 PolarHBondContact O-N 2.72Å; L605-L607 PolarHBondContact O-N 3.09Å; L605-K608 HydrophobicContact CB-CB 4.29Å; L605-K608 VanDerWaalsContact O-CB 3.24Å; L605-K608 WeakPolarHBondContact O-CB 3.26Å; L605-K608 PolarHBondContact O-N 3.35Å
606	A	80.7	Confident	70.4	Confident	25 Å²	25	74.6 Å²	74.6	21%	0.207	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	132.9	176.7	0	0	0	0	0	111.2	R438 L569 E573 K608	R438-A606 VanDerWaalsContact CZ-O 3.3Å; R438-A606 PolarHBondContact NH1-O 2.68Å; R438-A606 VanDerWaalsContact NH1-O 3.09Å; R438-A606 PolarHBondContact NH2-O 2.76Å; L569-A606 HydrophobicContact CD2-CB 3.87Å; E573-A606 HydrophobicContact CB-CB 3.89Å; E573-A606 HydrophobicContact CG-CB 3.84Å; A606-K608 PolarHBondContact O-N 3Å
607	L	81.4	Confident	72.8	Confident	36 Å²	36	69.8 Å²	69.8	19%	0.188	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	23.8	-174.5	-60.4	-179.3	0	0	0	116	K567 L569 L605 G609 K610 L611 L614	K567-L607 HydrophobicContact CB-CD1 3.99Å; K567-L607 HydrophobicContact CB-CD2 4.12Å; K567-L607 HydrophobicContact CD-CD2 3.74Å; L569-L607 HydrophobicContact CD1-CD1 4.39Å; L569-L607 HydrophobicContact CD2-CB 4.16Å; L569-L607 HydrophobicContact CD2-CD1 3.56Å; L569-L607 HydrophobicContact CD2-CG 3.76Å; L569-L607 HydrophobicContact CG-CD1 3.69Å; L569-L607 HydrophobicContact CG-CG 4.43Å; L605-L607 PolarHBondContact O-N 3.09Å; L607-G609 PolarHBondContact O-N 3.34Å; L607-K610 HydrophobicContact CB-CB 4.5Å; L607-K610 HydrophobicContact CD2-CB 4.5Å; L607-K610 CarbonylContact O-C 3.54Å; L607-K610 WeakPolarHBondContact O-CA 3.34Å; L607-K610 PolarHBondContact O-N 3.35Å; L607-L611 HydrophobicContact CB-CD2 4.08Å; L607-L611 PolarHBondContact O-N 3.47Å; L607-L614 HydrophobicContact CD1-CD2 4.37Å
608	K	83.7	Confident	75.3	Confident	117 Å²	117	64 Å²	64	51%	0.509	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	128.6	173.4	-172.5	176.2	-179.2	179.3	0	111.5	L605 A606 K610	L605-K608 HydrophobicContact CB-CB 4.29Å; L605-K608 VanDerWaalsContact O-CB 3.24Å; L605-K608 WeakPolarHBondContact O-CB 3.26Å; L605-K608 PolarHBondContact O-N 3.35Å; A606-K608 PolarHBondContact O-N 3Å; K608-K610 PolarHBondContact O-N 2.98Å
609	G	83.9	Confident	77.7	Confident	66 Å²	66	62.7 Å²	62.7	68%	0.68	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	-1.5	-174.4	0	0	0	0	0	114.8	E440 L607	E440-G609 PolarHBondContact OE2-N 3.38Å; L607-G609 PolarHBondContact O-N 3.34Å
610	K	85.1	Confident	80.3	Confident	122 Å²	122	58.7 Å²	58.7	53%	0.53	31%	0.311	S	S	.	.			trans	-127.2	14.1	-174.3	-62.4	-177.1	-176.8	176.9	0	113	L607 K608 T612 L613	L607-K610 HydrophobicContact CB-CB 4.5Å; L607-K610 HydrophobicContact CD2-CB 4.5Å; L607-K610 CarbonylContact O-C 3.54Å; L607-K610 WeakPolarHBondContact O-CA 3.34Å; L607-K610 PolarHBondContact O-N 3.35Å; K608-K610 PolarHBondContact O-N 2.98Å; K610-T612 PolarHBondContact O-N 2.85Å; K610-L613 HydrophobicContact CB-CD1 4.08Å; K610-L613 WeakPolarHBondContact O-CB 3.2Å; K610-L613 WeakPolarHBondContact O-CG 3.17Å; K610-L613 PolarHBondContact O-N 2.99Å
611	L	87	Confident	82.3	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-60.3	-13.9	177.1	-68.6	178.9	0	0	0	114	R438 E440 Q461 T462 Q513 L569 L607 L613 L614	R438-L611 HydrophobicContact CG-CD1 4.41Å; E440-L611 HydrophobicContact CB-CD1 4.23Å; E440-L611 VanDerWaalsContact CD-CD1 3.46Å; E440-L611 HydrophobicContact CG-CD1 3.91Å; Q461-L611 HydrophobicContact CB-CD1 4Å; Q461-L611 HydrophobicContact CG-CB 4.1Å; Q461-L611 HydrophobicContact CG-CD1 3.92Å; T462-L611 HydrophobicContact CG2-CD1 4.37Å; T462-L611 HydrophobicContact CG2-CD2 4Å; Q513-L611 PolarHBondContact NE2-O 3.05Å; L569-L611 HydrophobicContact CD1-CD2 3.89Å; L607-L611 HydrophobicContact CB-CD2 4.08Å; L607-L611 PolarHBondContact O-N 3.47Å; L611-L613 PolarHBondContact O-N 2.91Å; L611-L614 HydrophobicContact CD2-CD1 4.35Å; L611-L614 WeakPolarHBondContact O-CD1 3.37Å; L611-L614 VanDerWaalsContact O-CG 3.29Å; L611-L614 WeakPolarHBondContact O-CG 3.5Å; L611-L614 PolarHBondContact O-N 3.2Å
612	T	84.1	Confident	84.5	Confident	70 Å²	70	50.4 Å²	50.4	43%	0.429	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-69.5	-11.4	171.5	53	0	0	0	0	113.8	K610	K610-T612 PolarHBondContact O-N 2.85Å
613	L	85.5	Confident	86.2	Confident	53 Å²	53	45.6 Å²	45.6	28%	0.277	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-86.1	-2.3	175.1	-60.3	179	0	0	0	113.5	E566 K567 K610 L611	E566-L613 CarbonylContact C-O 3.56Å; E566-L613 VanDerWaalsContact CA-O 3.29Å; E566-L613 WeakPolarHBondContact CA-O 3.4Å; K567-L613 HydrophobicContact CB-CB 4.4Å; K567-L613 HydrophobicContact CD-CD1 4.3Å; K567-L613 PolarHBondContact N-O 2.76Å; K610-L613 HydrophobicContact CB-CD1 4.08Å; K610-L613 WeakPolarHBondContact O-CB 3.2Å; K610-L613 WeakPolarHBondContact O-CG 3.17Å; K610-L613 PolarHBondContact O-N 2.99Å; L611-L613 PolarHBondContact O-N 2.91Å
614	L	87.9	Confident	87.2	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-56.8	153.7	177.1	-74.8	172.6	0	0	0	111.9	Q461 R515 L569 L607 L611 K616	Q461-L614 VanDerWaalsContact O-CD1 3.28Å; Q461-L614 WeakPolarHBondContact O-CD1 3.42Å; R515-L614 VanDerWaalsContact CZ-O 3.22Å; R515-L614 PolarHBondContact NH1-O 3.11Å; R515-L614 PolarHBondContact NH2-O 3.45Å; L569-L614 HydrophobicContact CB-CD2 4.31Å; L569-L614 HydrophobicContact CD1-CD2 3.75Å; L569-L614 HydrophobicContact CG-CD2 3.8Å; L607-L614 HydrophobicContact CD1-CD2 4.37Å; L611-L614 HydrophobicContact CD2-CD1 4.35Å; L611-L614 WeakPolarHBondContact O-CD1 3.37Å; L611-L614 VanDerWaalsContact O-CG 3.29Å; L611-L614 WeakPolarHBondContact O-CG 3.5Å; L611-L614 PolarHBondContact O-N 3.2Å; L614-K616 PolarHBondContact O-N 3.09Å
615	P	86.7	Confident	87.8	Confident	17 Å²	17	36.3 Å²	36.3	11%	0.11	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-52.3	143	175.7	-23.5	32.2	0	0	0	111.4	D493 R515 E566 E568 E617	D493-P615 WeakPolarHBondContact CB-O 3.22Å; R515-P615 PolarHBondContact NH2-O 3.26Å; E566-P615 WeakPolarHBondContact OE2-CA 3.39Å; E568-P615 HydrophobicContact CG-CG 3.56Å; P615-E617 PolarHBondContact O-N 3.5Å
616	K	86	Confident	87.5	Confident	89 Å²	89	38.1 Å²	38.1	39%	0.387	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-76.4	118.9	178	-174.1	-177.6	166.3	-172.3	0	111.4	L184 R515 E566 L614	L184-K616 VanDerWaalsContact O-CE 3.25Å; L184-K616 WeakPolarHBondContact O-CE 3.22Å; L184-K616 PolarHBondContact O-NZ 2.73Å; R515-K616 VanDerWaalsContact NH2-CA 3.31Å; E566-K616 WeakPolarHBondContact OE1-CB 3.12Å; E566-K616 PolarHBondContact OE1-N 3.11Å; E566-K616 VanDerWaalsContact OE1-N 3.09Å; E566-K616 PolarHBondContact OE2-N 3.2Å; L614-K616 PolarHBondContact O-N 3.09Å
617	E	89.3	Confident	86.9	Confident	24 Å²	24	40.1 Å²	40.1	11%	0.112	21%	0.213	C	C	.	.			trans	-139.4	124.6	172.4	-170	173.7	173.5	0	0	109.4	H491 S492 D493 S511 G512 P615 R619 K621	H491-E617 IonicContact ND1-OE1 3.67Å; S492-E617 WeakPolarHBondContact CA-OE2 3.29Å; S492-E617 VanDerWaalsContact CB-OE2 3.25Å; S492-E617 WeakPolarHBondContact CB-OE2 3.26Å; S492-E617 PolarHBondContact N-OE2 2.73Å; S492-E617 PolarHBondContact OG-OE2 2.96Å; D493-E617 HydrophobicContact CB-CB 3.9Å; S511-E617 PolarHBondContact OG-O 2.74Å; G512-E617 WeakPolarHBondContact CA-O 3.46Å; P615-E617 PolarHBondContact O-N 3.5Å; E617-R619 HydrophobicContact CG-CB 4.01Å; E617-K621 VanDerWaalsContact OE1-CE 3.23Å; E617-K621 WeakPolarHBondContact OE1-CE 3.49Å; E617-K621 IonicContact OE1-NZ 2.76Å; E617-K621 PolarHBondContact OE1-NZ 3Å
618	N	91.6	Very high	85.8	Confident	15 Å²	15	43 Å²	43	8%	0.08	23%	0.228	C	C	.	.			trans	-123.2	80.4	177	-66.4	-26.1	0	0	0	108.2	F175 N186 Y187 L188	F175-N618 HydrophobicContact CB-CB 4.09Å; F175-N618 WeakPolarHBondContact CD2-O 3.47Å; N186-N618 PolarHBondContact O-ND2 3.3Å; Y187-N618 WeakPolarHBondContact CA-OD1 3.5Å; L188-N618 HydrophobicContact CD1-CB 4.09Å
619	R	93.6	Very high	83.9	Confident	52 Å²	52	40.8 Å²	40.8	20%	0.196	23%	0.225	C	C	.	.			trans	-135	143.2	-169.7	-167	166.2	175.8	-171.2	5.9	111.7	Y170 A171 D172 H491 S510 S511 E617 K621	Y170-R619 VanDerWaalsContact CB-NE 3.33Å; Y170-R619 VanDerWaalsContact CD2-NE 3.29Å; A171-R619 WeakPolarHBondContact O-CA 2.96Å; A171-R619 WeakPolarHBondContact O-CG 3.47Å; D172-R619 HydrophobicContact CB-CG 4.09Å; H491-R619 PolarHBondContact CE1-O 3.37Å; H491-R619 VanDerWaalsContact CE1-O 3.28Å; S510-R619 WeakPolarHBondContact CA-O 3.49Å; S511-R619 PolarHBondContact N-O 3.49Å; S511-R619 PolarHBondContact OG-N 2.61Å; S511-R619 PolarHBondContact OG-O 2.96Å; S511-R619 VanDerWaalsContact OG-O 3.07Å; E617-R619 HydrophobicContact CG-CB 4.01Å; R619-K621 HydrophobicContact CG-CG 4.13Å
620	L	96.4	Very high	81.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.9	162	178.5	70.2	0	0	0	107.9	Y170 A171 F175 C191 I200 T202 F212 M234 T509	Y170-L620 CarbonylContact C-O 3.56Å; Y170-L620 WeakPolarHBondContact CA-O 3.07Å; Y170-L620 WeakPolarHBondContact CB-O 3.4Å; A171-L620 HydrophobicContact CB-CB 4.18Å; A171-L620 HydrophobicContact CB-CD2 4.47Å; A171-L620 PolarHBondContact N-O 3.03Å; A171-L620 PolarHBondContact O-N 3.31Å; F175-L620 HydrophobicContact CE2-CB 4.39Å; C191-L620 HydrophobicContact CB-CD1 3.95Å; I200-L620 HydrophobicContact CG2-CD1 4.35Å; I200-L620 HydrophobicContact CG2-CD2 4.35Å; T202-L620 HydrophobicContact CG2-CD1 3.94Å; T202-L620 HydrophobicContact CG2-CD2 3.9Å; T202-L620 HydrophobicContact CG2-CG 4.41Å; F212-L620 HydrophobicContact CD2-CD2 3.79Å; F212-L620 HydrophobicContact CE2-CD2 4.09Å; F212-L620 HydrophobicContact CG-CD2 4.15Å; M234-L620 HydrophobicContact CE-CD2 3.84Å; M234-L620 HydrophobicContact CE-CG 4.35Å; T509-L620 WeakPolarHBondContact O-CA 3.36Å
621	K	95.9	Very high	79.5	Confident	22 Å²	22	47 Å²	47	10%	0.096	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	137.3	174	-71.3	177.6	-169.2	164.2	0	110.8	V167 A490 T509 E617 R619 W623	V167-K621 HydrophobicContact CG2-CD 4.43Å; A490-K621 PolarHBondContact O-NZ 2.93Å; T509-K621 PolarHBondContact N-O 2.84Å; T509-K621 PolarHBondContact O-N 3.09Å; T509-K621 PolarHBondContact OG1-O 3.11Å; E617-K621 VanDerWaalsContact OE1-CE 3.23Å; E617-K621 WeakPolarHBondContact OE1-CE 3.49Å; E617-K621 IonicContact OE1-NZ 2.76Å; E617-K621 PolarHBondContact OE1-NZ 3Å; R619-K621 HydrophobicContact CG-CG 4.13Å; K621-W623 HydrophobicContact CB-CZ2 4.36Å; K621-W623 HydrophobicContact CD-CZ2 3.72Å
622	L	95.3	Very high	79.1	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.4	171	-49.9	-168.1	0	0	0	109.5	V167 I168 A169 W193 I200 L214 M234 I506 I507 A508	V167-L622 CarbonylContact C-O 3.36Å; V167-L622 WeakPolarHBondContact CA-O 3.38Å; I168-L622 PolarHBondContact N-O 3.49Å; A169-L622 HydrophobicContact CB-CB 4.34Å; A169-L622 HydrophobicContact CB-CD1 4.06Å; A169-L622 HydrophobicContact CB-CG 4.2Å; A169-L622 PolarHBondContact O-N 3.35Å; W193-L622 HydrophobicContact CH2-CD1 4.23Å; W193-L622 HydrophobicContact CZ2-CD1 4.48Å; W193-L622 HydrophobicContact CZ2-CD2 4.17Å; I200-L622 HydrophobicContact CD1-CD1 3.82Å; I200-L622 HydrophobicContact CD1-CD2 3.15Å; I200-L622 HydrophobicContact CD1-CG 4.1Å; L214-L622 HydrophobicContact CD1-CD1 4.21Å; M234-L622 HydrophobicContact CE-CD1 3.84Å; M234-L622 HydrophobicContact CE-CD2 4.21Å; M234-L622 HydrophobicContact CE-CG 3.75Å; M234-L622 HydrophobicContact SD-CD1 3.68Å; M234-L622 HydrophobicContact SD-CG 4.27Å; I506-L622 HydrophobicContact CG2-CB 4.32Å; I507-L622 WeakPolarHBondContact O-CA 3.08Å; A508-L622 HydrophobicContact CB-CD2 3.78Å
623	W	92.8	Very high	78.8	Confident	21 Å²	21	48.2 Å²	48.2	8%	0.08	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.3	-178.1	-59.1	86.3	0	0	0	109.2	P165 K166 V167 W488 A490 I506 I507 T509 K621 F625	P165-W623 HydrophobicContact CB-CB 4.36Å; P165-W623 HydrophobicContact CB-CE3 3.86Å; P165-W623 HydrophobicContact CG-CE3 4.23Å; K166-W623 CarbonylContact O-C 3.57Å; K166-W623 VanDerWaalsContact O-CA 3.3Å; K166-W623 WeakPolarHBondContact O-CA 3.43Å; V167-W623 HydrophobicContact CG2-CD2 4.06Å; V167-W623 HydrophobicContact CG2-CE3 3.66Å; V167-W623 HydrophobicContact CG2-CH2 3.52Å; V167-W623 HydrophobicContact CG2-CZ2 3.86Å; V167-W623 HydrophobicContact CG2-CZ3 3.41Å; V167-W623 VanDerWaalsContact CG2-CZ3 3.41Å; W488-W623 AromaticContact NE1-CD2 3.75Å; W488-W623 AromaticContact NE1-CE2 3.82Å; W488-W623 AromaticContact NE1-CE3 3.89Å; A490-W623 VanDerWaalsContact CA-CZ2 3.49Å; A490-W623 HydrophobicContact CB-CZ2 3.8Å; A490-W623 WeakPolarHBondContact O-CZ2 3.18Å; I506-W623 CarbonylContact C-O 3.4Å; I506-W623 WeakPolarHBondContact CA-O 3.27Å; I507-W623 PolarHBondContact N-O 2.87Å; I507-W623 PolarHBondContact O-N 2.86Å; T509-W623 PolarHBondContact OG1-NE1 2.85Å; K621-W623 HydrophobicContact CB-CZ2 4.36Å; K621-W623 HydrophobicContact CD-CZ2 3.72Å; W623-F625 HydrophobicContact CB-CE2 4.28Å
624	T	89.8	Confident	78.5	Confident	12 Å²	12	47.9 Å²	47.9	7%	0.074	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	149.5	167.7	-172.8	0	0	0	0	111.2	P165 K166 I168 L226 P505	P165-T624 WeakPolarHBondContact CA-O 3.09Å; K166-T624 HydrophobicContact CB-CG2 4.17Å; K166-T624 PolarHBondContact N-O 3.33Å; K166-T624 PolarHBondContact O-N 3.07Å; I168-T624 HydrophobicContact CD1-CG2 3.58Å; I168-T624 HydrophobicContact CG1-CG2 3.32Å; L226-T624 HydrophobicContact CD1-CG2 4.42Å; P505-T624 WeakPolarHBondContact O-CA 3.36Å
625	F	85.8	Confident	77.9	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.009	28%	0.279	C	S	.	.			trans	-112.9	125.6	173.9	-67	-107.9	0	0	0	107.5	V158 W160 S163 P165 W488 P505 I507 W623 L627	V158-F625 HydrophobicContact CG1-CB 3.97Å; W160-F625 HydrophobicContact CD2-CG 4.44Å; W160-F625 HydrophobicContact CE3-CB 4.06Å; W160-F625 AromaticContact CE3-CD1 3.8Å; W160-F625 HydrophobicContact CE3-CD1 3.8Å; W160-F625 AromaticContact CE3-CD2 3.29Å; W160-F625 HydrophobicContact CE3-CD2 3.29Å; W160-F625 AromaticContact CE3-CE1 3.97Å; W160-F625 HydrophobicContact CE3-CE1 3.97Å; W160-F625 AromaticContact CE3-CE2 3.51Å; W160-F625 HydrophobicContact CE3-CE2 3.51Å; W160-F625 AromaticContact CE3-CG 3.43Å; W160-F625 HydrophobicContact CE3-CG 3.43Å; W160-F625 VanDerWaalsContact CE3-CG 3.43Å; W160-F625 AromaticContact CE3-CZ 3.82Å; W160-F625 HydrophobicContact CE3-CZ 3.82Å; W160-F625 HydrophobicContact CH2-CD2 4.35Å; W160-F625 HydrophobicContact CZ3-CB 4.25Å; W160-F625 HydrophobicContact CZ3-CD1 4.48Å; W160-F625 AromaticContact CZ3-CD2 3.13Å; W160-F625 HydrophobicContact CZ3-CD2 3.13Å; W160-F625 AromaticContact CZ3-CE2 3.44Å; W160-F625 HydrophobicContact CZ3-CE2 3.44Å; W160-F625 VanDerWaalsContact CZ3-CE2 3.44Å; W160-F625 AromaticContact CZ3-CG 3.72Å; W160-F625 HydrophobicContact CZ3-CG 3.72Å; W160-F625 HydrophobicContact CZ3-CZ 4.22Å; S163-F625 WeakPolarHBondContact OG-CD1 3.4Å; P165-F625 HydrophobicContact CB-CD1 4.15Å; P165-F625 HydrophobicContact CB-CD2 4.36Å; P165-F625 HydrophobicContact CB-CE1 3.72Å; P165-F625 HydrophobicContact CB-CE2 3.93Å; P165-F625 HydrophobicContact CB-CG 4.49Å; P165-F625 HydrophobicContact CB-CZ 3.61Å; P165-F625 HydrophobicContact CG-CE1 4.16Å; P165-F625 HydrophobicContact CG-CZ 4.21Å; W488-F625 AromaticContact CH2-CZ 3.86Å; W488-F625 HydrophobicContact CH2-CZ 3.86Å; W488-F625 HydrophobicContact CZ2-CZ 4.1Å; W488-F625 HydrophobicContact CZ3-CZ 4.22Å; P505-F625 HydrophobicContact CB-CB 4.47Å; P505-F625 PolarHBondContact O-N 2.74Å; P505-F625 VanDerWaalsContact O-N 3.1Å; I507-F625 HydrophobicContact CD1-CE2 3.6Å; I507-F625 HydrophobicContact CD1-CZ 3.91Å; I507-F625 HydrophobicContact CG1-CE2 4.02Å; W623-F625 HydrophobicContact CB-CE2 4.28Å; F625-L627 PolarHBondContact O-N 2.97Å
626	P	76.1	Confident	77.4	Confident	55 Å²	55	52.8 Å²	52.8	36%	0.357	29%	0.289	S	S	.	.			trans	-55.4	132.5	177.5	22.2	-34.1	0	0	0	110.6	L628	P626-L628 PolarHBondContact O-N 2.87Å
627	L	67.8	Low	76.8	Confident	66 Å²	66	50.4 Å²	50.4	35%	0.346	28%	0.283	S	S	.	.			trans	-65.4	132	169.4	-70.2	159.3	0	0	0	108.1	E156 V158 P505 F625 V629	E156-L627 HydrophobicContact CB-CD2 3.98Å; E156-L627 WeakPolarHBondContact OE2-CB 3.46Å; V158-L627 HydrophobicContact CG2-CD2 3.33Å; V158-L627 HydrophobicContact CG2-CG 4.45Å; P505-L627 HydrophobicContact CG-CD2 4.25Å; P505-L627 HydrophobicContact CG-CG 4.31Å; F625-L627 PolarHBondContact O-N 2.97Å; L627-V629 PolarHBondContact O-N 3.01Å; L627-V629 VanDerWaalsContact O-N 3.11Å
628	L	57.1	Low	75.9	Confident	97 Å²	97	52.3 Å²	52.3	51%	0.508	30%	0.295	S	S	.	.			trans	-71.8	103.6	165.4	-83.6	152.1	0	0	0	106.2	N159 P626 T630	N159-L628 HydrophobicContact CB-CD1 3.49Å; N159-L628 VanDerWaalsContact CB-CD1 3.49Å; P626-L628 PolarHBondContact O-N 2.87Å; L628-T630 VanDerWaalsContact C-N 3.26Å; L628-T630 PolarHBondContact O-N 3.49Å
629	V	44.8	Very low	74.7	Confident	71 Å²	71	55.2 Å²	55.2	43%	0.43	31%	0.312	S	S	.	.			trans	-66.1	96.9	161.3	-175.7	0	0	0	0	105.5	L627 T631	L627-V629 PolarHBondContact O-N 3.01Å; L627-V629 VanDerWaalsContact O-N 3.11Å; V629-T631 VanDerWaalsContact C-N 3.26Å; V629-T631 HydrophobicContact CG1-CG2 4.13Å; V629-T631 PolarHBondContact O-N 3.31Å
630	T	42.5	Very low	73.1	Confident	124 Å²	124	55.4 Å²	55.4	76%	0.761	32%	0.321	S	S	*	.			trans	-68.1	97.1	158.6	41	0	0	0	0	105.9	L628	L628-T630 VanDerWaalsContact C-N 3.26Å; L628-T630 PolarHBondContact O-N 3.49Å
631	T	33.5	Very low	71	Confident	194 Å²	194	60.5 Å²	60.5	100%	1.19	35%	0.35	S	S	*	.			trans	-60.8	0	169.9	52.6	0	0	0	0	111.3	V629	V629-T631 VanDerWaalsContact C-N 3.26Å; V629-T631 HydrophobicContact CG1-CG2 4.13Å; V629-T631 PolarHBondContact O-N 3.31Å

Retrieved 631 of 631 residues in 1302.3 ms (Link to these results)

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