A0A087XJW1_POEFO Loading...

Cadherin-4

Cadherins are calcium-dependent cell adhesion proteins.

AlphaFold DB , UniProt , Accession A0A087XJW1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 781 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	37.5	Very low	36	Very low	242 Å²	242	178.3 Å²	178.3	100%	1.192	87%	0.865	S	S	*	*				0	167.3	0	-150.5	172.3	-166.8	0	0	107.9
2	L	31	Very low	36	Very low	178 Å²	178	171.5 Å²	171.5	93%	0.932	84%	0.842	S	S	*	*			trans	64.1	73.2	-174.2	-60.9	173.9	0	0	0	115.5
3	S	30.9	Very low	36.2	Very low	112 Å²	112	168.2 Å²	168.2	78%	0.783	83%	0.828	S	S	*	*			trans	-90.6	121.2	153.5	45.4	0	0	0	0	109.7
4	R	33.6	Very low	36	Very low	240 Å²	240	166.4 Å²	166.4	91%	0.906	81%	0.813	S	S	*	*			trans	179.4	157	156.7	-108.4	168.1	-171.2	-154.5	1	114.3
5	V	37.4	Very low	36	Very low	123 Å²	123	168.4 Å²	168.4	75%	0.745	82%	0.816	S	S	*	*			trans	63.6	81.3	168.1	-157.8	0	0	0	0	117.9
6	W	29.9	Very low	35.8	Very low	242 Å²	242	165.6 Å²	165.6	92%	0.917	82%	0.819	S	S	*	*			trans	-140.4	53.6	147.2	-85.3	92.9	0	0	0	111
7	E	39.3	Very low	35.6	Very low	195 Å²	195	169.5 Å²	169.5	91%	0.911	82%	0.823	S	S	*	*			trans	-101.1	101.2	155.2	-83.8	-166.5	131.6	0	0	108.2
8	S	37.4	Very low	35.5	Very low	90 Å²	90	171.7 Å²	171.7	63%	0.629	82%	0.821	S	S	*	*			trans	-131.9	110.9	174.3	60.2	0	0	0	0	110
9	Q	38.7	Very low	35.4	Very low	181 Å²	181	172.3 Å²	172.3	85%	0.846	82%	0.822	S	S	*	*			trans	-60	146.7	175.8	-66.5	-179.3	-8.6	0	0	111.1	R11	Q9-R11 PolarHBondContact O-N 2.83Å
10	P	38.2	Very low	35.6	Very low	110 Å²	110	171.4 Å²	171.4	71%	0.714	82%	0.817	S	S	*	*			trans	-60.4	129.2	179.6	24.4	-34.1	0	0	0	111.2	V12	P10-V12 PolarHBondContact O-N 2.88Å; P10-V12 VanDerWaalsContact O-N 3.12Å
11	R	41.7	Very low	35.4	Very low	248 Å²	248	175.5 Å²	175.5	94%	0.936	82%	0.824	S	S	*	*			trans	-65.7	110.8	-176.8	-73	-174.7	174.4	-172	0.2	111.3	Q9	Q9-R11 PolarHBondContact O-N 2.83Å
12	V	36.7	Very low	35.4	Very low	97 Å²	97	167.8 Å²	167.8	59%	0.588	81%	0.807	S	S	*	*			trans	-92.2	118.1	172.3	177.9	0	0	0	0	110.1	P10 K14	P10-V12 PolarHBondContact O-N 2.88Å; P10-V12 VanDerWaalsContact O-N 3.12Å; V12-K14 HydrophobicContact CG1-CG 4.33Å
13	I	38.5	Very low	35.7	Very low	129 Å²	129	165.3 Å²	165.3	66%	0.662	80%	0.804	S	S	*	*			trans	-92.3	133.5	175.6	-56	176.3	0	0	0	109.6	F15	I13-F15 HydrophobicContact CG2-CD2 4.01Å; I13-F15 HydrophobicContact CG2-CE2 3.59Å; I13-F15 HydrophobicContact CG2-CZ 4.48Å
14	K	32.9	Very low	35.9	Very low	143 Å²	143	165.8 Å²	165.8	62%	0.622	81%	0.808	S	S	*	*			trans	-149	142.5	172.8	-73.3	-175.4	178.2	178.4	0	110.2	V12	V12-K14 HydrophobicContact CG1-CG 4.33Å
15	F	36.1	Very low	36.5	Very low	196 Å²	196	158.4 Å²	158.4	86%	0.86	80%	0.798	S	S	*	*			trans	-137	175.2	175.3	-71.5	-65.9	0	0	0	112.9	I13	I13-F15 HydrophobicContact CG2-CD2 4.01Å; I13-F15 HydrophobicContact CG2-CE2 3.59Å; I13-F15 HydrophobicContact CG2-CZ 4.48Å
16	S	33.3	Very low	37.2	Very low	124 Å²	124	160.7 Å²	160.7	87%	0.867	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-101	164.6	-160.1	-165.5	0	0	0	0	115.6
17	R	31.4	Very low	37.5	Very low	232 Å²	232	154.3 Å²	154.3	88%	0.875	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-67.8	140.1	-169.2	-163.7	-179.8	-167.3	177	6.2	113.5
18	R	34.8	Very low	37.9	Very low	209 Å²	209	153.5 Å²	153.5	79%	0.789	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-91.1	126.4	177.3	-173.5	-176.5	-170.7	-179.8	4.7	111.5
19	H	32.6	Very low	38.2	Very low	183 Å²	183	160.8 Å²	160.8	85%	0.847	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-96.2	138.4	159.5	-100.7	-74.4	0	0	0	110.1
20	Q	40.1	Very low	38.6	Very low	154 Å²	154	163.8 Å²	163.8	72%	0.72	82%	0.817	S	S	*	*			trans	-105.8	141.1	168.3	-75.2	179.4	-32.7	0	0	110.3
21	R	32.3	Very low	38.9	Very low	257 Å²	257	166.7 Å²	166.7	97%	0.97	82%	0.821	S	S	*	*			trans	-165.9	149.1	158.9	-118.8	-178.8	-176.8	-167.9	0.8	111.3
22	G	36	Very low	39.2	Very low	80 Å²	80	162.3 Å²	162.3	83%	0.825	81%	0.809	S	S	*	*			trans	84.6	121.9	156.6	0	0	0	0	0	116.6
23	S	39	Very low	40	Very low	126 Å²	126	168.7 Å²	168.7	88%	0.881	82%	0.822	S	S	*	*			trans	-91.8	143.3	167.6	-177.9	0	0	0	0	110.8
24	S	34.2	Very low	41.3	Very low	123 Å²	123	169.1 Å²	169.1	86%	0.86	83%	0.826	S	S	*	*			trans	-154.4	163.7	151.8	-164.4	0	0	0	0	109.7
25	A	45.3	Very low	42.8	Very low	84 Å²	84	172.7 Å²	172.7	69%	0.694	84%	0.835	S	S	*	*			trans	-89.4	163.9	-160.3	0	0	0	0	0	115.7
26	N	51.9	Low	44.7	Very low	172 Å²	172	169 Å²	169	92%	0.92	83%	0.829	S	S	*	*			trans	40.8	84.4	165.2	-72.5	4.5	0	0	0	118
27	S	37.3	Very low	47	Very low	108 Å²	108	165.8 Å²	165.8	76%	0.755	80%	0.801	S	S	*	*			trans	-138.7	149.5	149.8	51.4	0	0	0	0	109.8	R29	S27-R29 PolarHBondContact O-N 3.21Å; S27-R29 VanDerWaalsContact O-N 3.13Å
28	L	46.6	Very low	49.7	Very low	177 Å²	177	159.6 Å²	159.6	93%	0.927	79%	0.791	S	S	*	*			trans	-58.8	115.4	174.2	-74	164.7	0	0	0	109.2	R30	L28-R30 PolarHBondContact O-N 2.96Å
29	R	45.4	Very low	52.3	Low	244 Å²	244	153 Å²	153	92%	0.921	78%	0.775	S	S	*	*			trans	-68	96.7	177.2	-79	-171.5	175.2	-176.3	1.3	109.7	S27 Q31	S27-R29 PolarHBondContact O-N 3.21Å; S27-R29 VanDerWaalsContact O-N 3.13Å; R29-Q31 VanDerWaalsContact C-N 3.31Å; R29-Q31 PolarHBondContact O-N 3.5Å
30	R	46	Very low	55.2	Low	244 Å²	244	145 Å²	145	92%	0.921	74%	0.739	S	S	*	*			trans	-62.4	93.8	165.4	-169	-177.8	-165.8	-151	4.9	108.5	L28 K32	L28-R30 PolarHBondContact O-N 2.96Å; R30-K32 PolarHBondContact O-N 3Å; R30-K32 VanDerWaalsContact O-N 3.12Å
31	Q	44.3	Very low	57.7	Low	170 Å²	170	142.3 Å²	142.3	79%	0.794	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-57.9	118.3	171.5	-172.9	169.8	-5.3	0	0	107.6	R29 R33	R29-Q31 VanDerWaalsContact C-N 3.31Å; R29-Q31 PolarHBondContact O-N 3.5Å; Q31-R33 PolarHBondContact O-N 3.09Å
32	K	47.7	Very low	60.5	Low	157 Å²	157	130.6 Å²	130.6	68%	0.683	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-68.1	122.6	176.1	-170.9	-178	179.5	-173	0	106.2	R30 D34	R30-K32 PolarHBondContact O-N 3Å; R30-K32 VanDerWaalsContact O-N 3.12Å; K32-D34 PolarHBondContact O-N 2.92Å
33	R	54.7	Low	63.2	Low	231 Å²	231	129.5 Å²	129.5	87%	0.872	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-57.2	133	172	-73.3	-176.9	174.7	177.7	-3.8	108.5	Q31	Q31-R33 PolarHBondContact O-N 3.09Å
34	D	64.4	Low	65.8	Low	138 Å²	138	123.7 Å²	123.7	74%	0.738	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-67.6	153.4	170.6	-60.6	-60.2	0	0	0	109.9	K32 V36	K32-D34 PolarHBondContact O-N 2.92Å; D34-V36 PolarHBondContact O-N 3.07Å
35	W	65.7	Low	68.5	Low	218 Å²	218	121.7 Å²	121.7	83%	0.826	60%	0.603	S	S	*	*			trans	-81.9	115	-177.8	-67.9	99.5	0	0	0	109.9
36	V	75.4	Confident	70.6	Confident	119 Å²	119	119.6 Å²	119.6	72%	0.721	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-73.4	137.5	170.6	-174	0	0	0	0	108.9	D34	D34-V36 PolarHBondContact O-N 3.07Å
37	I	82.3	Confident	72.3	Confident	55 Å²	55	123.2 Å²	123.2	28%	0.282	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-67.5	129.7	172.9	-68.8	176	0	0	0	108.3	I125 L127	I37-I125 HydrophobicContact CD1-CD1 3.7Å; I37-I125 HydrophobicContact CD1-CG1 3.91Å; I37-I125 HydrophobicContact CD1-CG2 3.8Å; I37-I125 HydrophobicContact CG1-CD1 3.8Å; I37-I125 HydrophobicContact CG1-CG1 4.3Å; I37-L127 HydrophobicContact CB-CD2 4.45Å; I37-L127 HydrophobicContact CD1-CD2 3.72Å; I37-L127 HydrophobicContact CG2-CD2 4.03Å
38	P	87.1	Confident	74.6	Confident	103 Å²	103	119.4 Å²	119.4	67%	0.669	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-57.6	142.6	174	-23.6	34	0	0	0	111.2
39	P	90.4	Very high	76.6	Confident	70 Å²	70	116.6 Å²	116.6	46%	0.455	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-61.3	151.5	179.3	27.1	-35	0	0	0	111.8	Y128 Y130	P39-Y128 WeakPolarHBondContact CA-O 3.38Å; P39-Y130 HydrophobicContact CB-CD2 3.68Å; P39-Y130 HydrophobicContact CB-CE2 3.59Å; P39-Y130 HydrophobicContact CG-CD2 4.37Å; P39-Y130 HydrophobicContact CG-CE2 4.18Å
40	I	92.4	Very high	78.7	Confident	16 Å²	16	108.1 Å²	108.1	8%	0.082	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	109	-179.7	-53.3	173.1	0	0	0	107.2	V42 L54 V55 M93 Y128 I129 Y130	I40-V42 HydrophobicContact CG2-CG2 3.94Å; I40-L54 HydrophobicContact CG2-CB 4.16Å; I40-L54 HydrophobicContact CG2-CD1 4.22Å; I40-V55 HydrophobicContact CD1-CB 4.45Å; I40-V55 HydrophobicContact CD1-CG1 3.92Å; I40-V55 HydrophobicContact CD1-CG2 3.64Å; I40-V55 HydrophobicContact CG1-CG1 3.97Å; I40-V55 HydrophobicContact CG2-CG1 4.32Å; I40-M93 HydrophobicContact CD1-SD 4.14Å; I40-Y128 PolarHBondContact N-O 2.78Å; I40-I129 HydrophobicContact CB-CG1 4.43Å; I40-I129 HydrophobicContact CB-CG2 4.28Å; I40-I129 HydrophobicContact CD1-CG1 4.49Å; I40-I129 HydrophobicContact CG2-CG2 4.44Å; I40-I129 CarbonylContact O-C 3.59Å; I40-I129 VanDerWaalsContact O-CA 3.25Å; I40-I129 WeakPolarHBondContact O-CA 3.34Å; I40-I129 VanDerWaalsContact O-CG2 3.31Å; I40-I129 WeakPolarHBondContact O-CG2 3.42Å; I40-Y130 PolarHBondContact O-N 3.47Å
41	N	92.4	Very high	80.8	Confident	97 Å²	97	100.7 Å²	100.7	52%	0.519	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.2	179.2	-61.4	14.2	0	0	0	108.9	Y130 I132	N41-Y130 WeakPolarHBondContact CA-O 3.35Å; N41-I132 HydrophobicContact CB-CD1 3.8Å; N41-I132 HydrophobicContact CB-CG1 3.84Å
42	V	92.1	Very high	83	Confident	10 Å²	10	96.7 Å²	96.7	6%	0.061	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.4	-175.1	-172.3	0	0	0	0	109.2	I40 L54 L99 I129 Y130 V131 I132	I40-V42 HydrophobicContact CG2-CG2 3.94Å; V42-L54 HydrophobicContact CG1-CD2 4.19Å; V42-L54 HydrophobicContact CG2-CD1 4.06Å; V42-L54 HydrophobicContact CG2-CD2 3.76Å; V42-L99 HydrophobicContact CB-CD1 3.99Å; V42-L99 HydrophobicContact CG1-CD1 3.76Å; V42-I129 HydrophobicContact CG2-CG2 3.9Å; V42-Y130 PolarHBondContact N-O 3.11Å; V42-V131 CarbonylContact O-C 3.49Å; V42-V131 VanDerWaalsContact O-CA 3.29Å; V42-V131 WeakPolarHBondContact O-CA 3.45Å; V42-I132 PolarHBondContact O-N 3.31Å
43	P	91.9	Very high	85.1	Confident	57 Å²	57	92.9 Å²	92.9	37%	0.37	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	140.5	175.1	29.6	-34.3	0	0	0	110.8	I132 M134	P43-I132 HydrophobicContact CB-CB 4.43Å; P43-M134 HydrophobicContact CB-SD 4.46Å
44	E	94.1	Very high	86.8	Confident	5 Å²	5	83.7 Å²	83.7	2%	0.023	44%	0.442	C	S	.	.	S	Bend	trans	-69.2	176.6	171.6	69.5	-163.1	121.9	0	0	112.9	S46 L99 R101 V131 I132 D133 M134	E44-S46 PolarHBondContact O-N 2.99Å; E44-L99 WeakPolarHBondContact CA-O 3.28Å; E44-L99 VanDerWaalsContact CB-O 3.31Å; E44-L99 WeakPolarHBondContact CB-O 3.44Å; E44-R101 VanDerWaalsContact CD-CB 3.49Å; E44-R101 WeakPolarHBondContact OE1-CB 2.99Å; E44-R101 WeakPolarHBondContact OE2-CB 3.39Å; E44-R101 PolarHBondContact OE2-N 3.4Å; E44-V131 HydrophobicContact CB-CG1 3.66Å; E44-I132 PolarHBondContact N-O 2.79Å; E44-D133 WeakPolarHBondContact OE1-CA 2.95Å; E44-M134 HydrophobicContact CG-CB 3.72Å; E44-M134 HydrophobicContact CG-CG 3.74Å; E44-M134 PolarHBondContact OE1-N 3.47Å
45	N	91.5	Very high	88.1	Confident	80 Å²	80	79.3 Å²	79.3	43%	0.428	42%	0.42	S	S	.	.	S	Bend	trans	52.1	22.4	176	-83.5	-58.3	0	0	0	114.5	R47 L99 D136	N45-R47 PolarHBondContact O-N 2.88Å; N45-L99 PolarHBondContact N-O 2.81Å; N45-D136 PolarHBondContact ND2-OD1 2.78Å; N45-D136 VanDerWaalsContact ND2-OD1 3.11Å; N45-D136 PolarHBondContact ND2-OD2 3.23Å
46	S	89.9	Confident	89.4	Confident	40 Å²	40	75.4 Å²	75.4	28%	0.28	41%	0.405	S	S	.	.			trans	-63.5	128.3	-175	179	0	0	0	0	111.1	E44 G48 F50	E44-S46 PolarHBondContact O-N 2.99Å; S46-G48 PolarHBondContact O-N 3.4Å; S46-G48 VanDerWaalsContact O-N 3.14Å; S46-F50 VanDerWaalsContact O-CE2 3.29Å; S46-F50 WeakPolarHBondContact O-CE2 3.46Å; S46-F50 WeakPolarHBondContact O-CZ 3.48Å
47	R	86.9	Confident	90.1	Very high	249 Å²	249	70.9 Å²	70.9	94%	0.94	38%	0.377	S	S	*	.			trans	-81	10.7	-171	-59.8	-175.9	179.9	-175.6	-0.4	114.4	N45	N45-R47 PolarHBondContact O-N 2.88Å
48	G	84.6	Confident	90.4	Very high	28 Å²	28	72.8 Å²	72.8	29%	0.289	38%	0.38	S	S	.	.			trans	70.6	-160.7	179	0	0	0	0	0	114.2	S46	S46-G48 PolarHBondContact O-N 3.4Å; S46-G48 VanDerWaalsContact O-N 3.14Å
49	P	89.4	Confident	90.3	Very high	118 Å²	118	68.1 Å²	68.1	77%	0.766	35%	0.351	S	S	*	.	P	Polyproline II helix	cis	-70.3	148.2	5.1	29.8	-36.4	0	0	0	113.3
50	F	89.3	Confident	90	Very high	65 Å²	65	69.4 Å²	69.4	29%	0.285	35%	0.353	S	S	.	.	S	Bend	trans	-101.9	151.3	173.1	-62.4	-79.8	0	0	0	110.9	S46 H52 V95 T96 Q97 P98	S46-F50 VanDerWaalsContact O-CE2 3.29Å; S46-F50 WeakPolarHBondContact O-CE2 3.46Å; S46-F50 WeakPolarHBondContact O-CZ 3.48Å; F50-H52 HydrophobicContact CD1-CB 4.08Å; F50-H52 HydrophobicContact CE1-CB 4.36Å; F50-V95 HydrophobicContact CD1-CG1 4.28Å; F50-V95 HydrophobicContact CE1-CG1 4.05Å; F50-T96 VanDerWaalsContact CB-O 3.32Å; F50-T96 WeakPolarHBondContact CB-O 3.27Å; F50-Q97 WeakPolarHBondContact CE1-O 3.48Å; F50-Q97 VanDerWaalsContact CZ-C 3.46Å; F50-P98 HydrophobicContact CZ-CB 4.23Å; F50-P98 VanDerWaalsContact CZ-N 3.3Å
51	P	90.3	Very high	89.5	Confident	88 Å²	88	72.6 Å²	72.6	57%	0.571	37%	0.368	S	S	*	.	S	Bend	cis	-73	128.3	-1.1	30.1	-35	0	0	0	112.6	F94 V95	P51-F94 HydrophobicContact CB-CB 3.98Å; P51-F94 HydrophobicContact CB-CD1 4.21Å; P51-F94 HydrophobicContact CB-CG 4.33Å; P51-V95 CarbonylContact C-O 3.58Å; P51-V95 VanDerWaalsContact CA-O 3.27Å; P51-V95 WeakPolarHBondContact CA-O 3.35Å
52	H	90.4	Very high	88.9	Confident	87 Å²	87	70.1 Å²	70.1	40%	0.403	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126	-176.3	178.7	-85.3	0	0	0	110.5	F50 F94 V95	F50-H52 HydrophobicContact CD1-CB 4.08Å; F50-H52 HydrophobicContact CE1-CB 4.36Å; H52-F94 CarbonylContact O-C 3.6Å; H52-F94 WeakPolarHBondContact O-CA 3.44Å; H52-V95 HydrophobicContact CB-CG1 3.93Å; H52-V95 PolarHBondContact N-O 2.77Å; H52-V95 PolarHBondContact O-N 2.99Å
53	M	91.6	Very high	88.2	Confident	77 Å²	77	75.6 Å²	75.6	38%	0.379	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	127.7	-176.9	-172.3	177.3	167.1	0	0	111.5	V55 R56 N92 F94	M53-V55 WeakPolarHBondContact CE-O 2.94Å; M53-R56 HydrophobicContact CE-CB 3.89Å; M53-N92 HydrophobicContact CE-CB 3.83Å; M53-N92 VanDerWaalsContact CE-CG 3.43Å; M53-N92 VanDerWaalsContact CE-OD1 3.25Å; M53-N92 WeakPolarHBondContact CE-OD1 3.06Å; M53-N92 HydrophobicContact SD-CB 4.14Å; M53-F94 HydrophobicContact CB-CD1 3.77Å; M53-F94 HydrophobicContact CB-CE1 3.73Å; M53-F94 HydrophobicContact CG-CD1 4.33Å; M53-F94 HydrophobicContact CG-CE1 4.12Å
54	L	91.1	Very high	87.4	Confident	37 Å²	37	79.3 Å²	79.3	19%	0.194	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-60.3	179	-58.3	-177.3	0	0	0	111.7	I40 V42 Y84 M93 V95	I40-L54 HydrophobicContact CG2-CB 4.16Å; I40-L54 HydrophobicContact CG2-CD1 4.22Å; V42-L54 HydrophobicContact CG1-CD2 4.19Å; V42-L54 HydrophobicContact CG2-CD1 4.06Å; V42-L54 HydrophobicContact CG2-CD2 3.76Å; L54-Y84 HydrophobicContact CD1-CD1 3.89Å; L54-Y84 HydrophobicContact CD1-CE1 3.84Å; L54-M93 PolarHBondContact N-O 2.96Å; L54-V95 HydrophobicContact CD1-CB 4.2Å; L54-V95 HydrophobicContact CD2-CB 4.37Å; L54-V95 HydrophobicContact CD2-CG1 3.91Å; L54-V95 HydrophobicContact CG-CB 4.38Å; L54-V95 HydrophobicContact CG-CG1 4.36Å
55	V	91.9	Very high	86.7	Confident	47 Å²	47	82 Å²	82	29%	0.285	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	172	-173.4	-63.4	0	0	0	0	110.8	I40 M53 I57 M93	I40-V55 HydrophobicContact CD1-CB 4.45Å; I40-V55 HydrophobicContact CD1-CG1 3.92Å; I40-V55 HydrophobicContact CD1-CG2 3.64Å; I40-V55 HydrophobicContact CG1-CG1 3.97Å; I40-V55 HydrophobicContact CG2-CG1 4.32Å; M53-V55 WeakPolarHBondContact CE-O 2.94Å; V55-I57 HydrophobicContact CG2-CG1 4.31Å; V55-M93 HydrophobicContact CG2-CB 3.88Å; V55-M93 HydrophobicContact CG2-CG 4.46Å; V55-M93 HydrophobicContact CG2-SD 3.94Å; V55-M93 PolarHBondContact O-N 3.19Å
56	R	92	Very high	86.3	Confident	135 Å²	135	80.1 Å²	80.1	51%	0.509	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.4	168.4	-174	178.4	-175	168.4	3.7	110.5	M53 S90 G91 N92	M53-R56 HydrophobicContact CE-CB 3.89Å; R56-S90 PolarHBondContact NE-O 3.15Å; R56-S90 PolarHBondContact NH2-O 2.02Å; R56-G91 WeakPolarHBondContact CA-O 3.48Å; R56-N92 WeakPolarHBondContact CD-OD1 3.42Å; R56-N92 VanDerWaalsContact CG-OD1 3.27Å; R56-N92 WeakPolarHBondContact CG-OD1 3.36Å
57	I	89.6	Confident	86.2	Confident	24 Å²	24	78.8 Å²	78.8	12%	0.123	40%	0.4	C	S	.	.			trans	-94.7	141.4	176.9	-58.6	174.6	0	0	0	108.4	V55 I86 G91 M93 A111 L127	V55-I57 HydrophobicContact CG2-CG1 4.31Å; I57-I86 HydrophobicContact CB-CD1 4.39Å; I57-I86 HydrophobicContact CD1-CD1 4.26Å; I57-G91 PolarHBondContact N-O 3.38Å; I57-G91 WeakPolarHBondContact O-CA 3.41Å; I57-M93 HydrophobicContact CD1-SD 4.45Å; I57-A111 HydrophobicContact CD1-CB 3.88Å; I57-A111 HydrophobicContact CG2-CB 4.43Å; I57-L127 HydrophobicContact CD1-CD1 3.59Å; I57-L127 HydrophobicContact CD1-CD2 3.88Å; I57-L127 HydrophobicContact CD1-CG 4.33Å
58	R	88.7	Confident	86.4	Confident	95 Å²	95	73.3 Å²	73.3	36%	0.358	38%	0.38	S	S	.	.			trans	-156.2	145.4	175.2	64.7	-172.3	-63.2	178.2	0.8	111.9	D62 Y69	R58-D62 IonicContact CZ-OD1 3.15Å; R58-D62 IonicContact CZ-OD2 3.17Å; R58-D62 IonicContact NE-OD1 2.81Å; R58-D62 IonicContact NE-OD2 3.58Å; R58-D62 PolarHBondContact NE-OD2 3.13Å; R58-D62 IonicContact NH2-OD1 2.68Å; R58-D62 PolarHBondContact NH2-OD1 2.95Å; R58-D62 IonicContact NH2-OD2 2.68Å; R58-D62 PolarHBondContact NH2-OD2 2.93Å; R58-Y69 WeakPolarHBondContact CA-OH 3.23Å
59	S	86.7	Confident	86.7	Confident	6 Å²	6	72.5 Å²	72.5	4%	0.042	37%	0.368	C	S	.	.			trans	-77.5	156.8	161.7	170.2	0	0	0	0	109.6	Q61 D62 Y69 E122	S59-Q61 VanDerWaalsContact C-N 3.32Å; S59-Q61 WeakPolarHBondContact OG-CB 3.34Å; S59-Q61 WeakPolarHBondContact OG-CG 3.41Å; S59-Q61 PolarHBondContact OG-N 3.35Å; S59-D62 WeakPolarHBondContact O-CB 3.44Å; S59-Y69 PolarHBondContact N-OH 2.96Å; S59-Y69 VanDerWaalsContact N-OH 3.1Å; S59-E122 VanDerWaalsContact CB-OE1 3.3Å; S59-E122 WeakPolarHBondContact CB-OE1 3.36Å; S59-E122 PolarHBondContact OG-OE1 2.75Å
60	D	83.8	Confident	86.9	Confident	96 Å²	96	69.3 Å²	69.3	51%	0.513	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-83.7	-8.7	168.3	83.5	-22.6	0	0	0	113.1	D62 K63	D60-D62 PolarHBondContact O-N 2.72Å; D60-K63 PolarHBondContact O-NZ 3.24Å
61	Q	80.9	Confident	87.1	Confident	84 Å²	84	67.1 Å²	67.1	39%	0.393	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-74	-6.6	170.7	-50.8	-57	-68.9	0	0	112.4	S59 K63 D64 V65 I67 V121	S59-Q61 VanDerWaalsContact C-N 3.32Å; S59-Q61 WeakPolarHBondContact OG-CB 3.34Å; S59-Q61 WeakPolarHBondContact OG-CG 3.41Å; S59-Q61 PolarHBondContact OG-N 3.35Å; Q61-K63 PolarHBondContact O-N 3.44Å; Q61-D64 PolarHBondContact O-N 3.42Å; Q61-V65 PolarHBondContact O-N 3.12Å; Q61-V65 VanDerWaalsContact O-N 3.11Å; Q61-I67 HydrophobicContact CB-CD1 4.06Å; Q61-V121 HydrophobicContact CB-CG1 3.82Å; Q61-V121 HydrophobicContact CG-CG1 3.9Å
62	D	79.4	Confident	87.2	Confident	45 Å²	45	64.8 Å²	64.8	24%	0.241	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-63.7	1	-177.8	78.1	-4.5	0	0	0	116.3	R58 S59 D60 I67	R58-D62 IonicContact CZ-OD1 3.15Å; R58-D62 IonicContact CZ-OD2 3.17Å; R58-D62 IonicContact NE-OD1 2.81Å; R58-D62 IonicContact NE-OD2 3.58Å; R58-D62 PolarHBondContact NE-OD2 3.13Å; R58-D62 IonicContact NH2-OD1 2.68Å; R58-D62 PolarHBondContact NH2-OD1 2.95Å; R58-D62 IonicContact NH2-OD2 2.68Å; R58-D62 PolarHBondContact NH2-OD2 2.93Å; S59-D62 WeakPolarHBondContact O-CB 3.44Å; D60-D62 PolarHBondContact O-N 2.72Å; D62-I67 HydrophobicContact CB-CD1 4.24Å
63	K	77.3	Confident	87.3	Confident	124 Å²	124	61 Å²	61	54%	0.539	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-95.2	-30	176	-47.8	-177.3	-149.5	73.8	0	112.6	D60 Q61	D60-K63 PolarHBondContact O-NZ 3.24Å; Q61-K63 PolarHBondContact O-N 3.44Å
64	D	76.4	Confident	87.3	Confident	136 Å²	136	58 Å²	58	73%	0.727	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	-21.8	-168.2	-57.4	-57.9	0	0	0	111.7	Q61	Q61-D64 PolarHBondContact O-N 3.42Å
65	V	79.4	Confident	87.2	Confident	60 Å²	60	56.3 Å²	56.3	36%	0.364	29%	0.287	S	S	.	.	S	Bend	trans	-128.7	138.4	177.4	-178.5	0	0	0	0	110.1	Q61 I67 D115	Q61-V65 PolarHBondContact O-N 3.12Å; Q61-V65 VanDerWaalsContact O-N 3.11Å; V65-I67 HydrophobicContact CB-CG1 4.49Å; V65-I67 HydrophobicContact CG1-CG1 4.39Å; V65-I67 PolarHBondContact O-N 2.8Å; V65-D115 HydrophobicContact CG1-CB 3.78Å
66	G	83	Confident	87.2	Confident	41 Å²	41	54.7 Å²	54.7	42%	0.423	28%	0.279	S	S	.	.			trans	-71.2	114.9	168.1	0	0	0	0	0	110.3	D115 M116	G66-D115 WeakPolarHBondContact O-CA 3.29Å; G66-M116 WeakPolarHBondContact O-CG 3.47Å; G66-M116 PolarHBondContact O-N 3.49Å; G66-M116 VanDerWaalsContact O-N 3.17Å
67	I	88.4	Confident	87.1	Confident	12 Å²	12	52.8 Å²	52.8	6%	0.062	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	141.1	-175.3	-66.3	173.7	0	0	0	110.3	Q61 D62 V65 Y69 A113 V114 V121	Q61-I67 HydrophobicContact CB-CD1 4.06Å; D62-I67 HydrophobicContact CB-CD1 4.24Å; V65-I67 HydrophobicContact CB-CG1 4.49Å; V65-I67 HydrophobicContact CG1-CG1 4.39Å; V65-I67 PolarHBondContact O-N 2.8Å; I67-Y69 HydrophobicContact CG2-CD1 4.17Å; I67-Y69 HydrophobicContact CG2-CD2 4.46Å; I67-Y69 HydrophobicContact CG2-CE1 3.68Å; I67-Y69 HydrophobicContact CG2-CE2 4Å; I67-A113 HydrophobicContact CG2-CB 3.87Å; I67-V114 CarbonylContact C-O 3.58Å; I67-V114 VanDerWaalsContact CA-O 3.3Å; I67-V114 WeakPolarHBondContact CA-O 3.22Å; I67-V121 HydrophobicContact CD1-CB 4.49Å; I67-V121 HydrophobicContact CD1-CG1 3.92Å; I67-V121 HydrophobicContact CG1-CG1 4.47Å; I67-V121 HydrophobicContact CG1-CG2 4.4Å
68	R	90.1	Very high	87.1	Confident	134 Å²	134	56.5 Å²	56.5	51%	0.506	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133.6	166.5	176.9	174.4	-71.1	-121	2.7	109.8	P88 V114	R68-P88 VanDerWaalsContact CA-O 3.29Å; R68-P88 WeakPolarHBondContact CA-O 3.4Å; R68-P88 HydrophobicContact CG-CB 3.91Å; R68-V114 HydrophobicContact CB-CG2 4.06Å; R68-V114 PolarHBondContact N-O 3.34Å; R68-V114 PolarHBondContact O-N 2.77Å
69	Y	91.6	Very high	87	Confident	12 Å²	12	57.2 Å²	57.2	5%	0.047	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	149	176.9	-59.3	-76.5	0	0	0	111.9	R58 S59 I67 P88 H112 A113	R58-Y69 WeakPolarHBondContact CA-OH 3.23Å; S59-Y69 PolarHBondContact N-OH 2.96Å; S59-Y69 VanDerWaalsContact N-OH 3.1Å; I67-Y69 HydrophobicContact CG2-CD1 4.17Å; I67-Y69 HydrophobicContact CG2-CD2 4.46Å; I67-Y69 HydrophobicContact CG2-CE1 3.68Å; I67-Y69 HydrophobicContact CG2-CE2 4Å; Y69-P88 PolarHBondContact N-O 3.38Å; Y69-P88 WeakPolarHBondContact O-CA 3.47Å; Y69-H112 WeakPolarHBondContact CA-O 3.26Å; Y69-A113 HydrophobicContact CD1-CB 4.04Å; Y69-A113 HydrophobicContact CE1-CB 3.91Å
70	S	92.4	Very high	87.1	Confident	51 Å²	51	58.9 Å²	58.9	36%	0.357	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	159.9	169.7	61.7	0	0	0	0	111.3	A111 H112	S70-A111 CarbonylContact O-C 3.53Å; S70-A111 WeakPolarHBondContact O-CA 3.4Å; S70-H112 PolarHBondContact N-O 2.88Å; S70-H112 VanDerWaalsContact N-O 3.16Å; S70-H112 PolarHBondContact O-N 2.88Å
71	I	94.3	Very high	87.3	Confident	18 Å²	18	58.4 Å²	58.4	9%	0.092	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.6	174.2	52.1	177.1	0	0	0	110.1	A76 I86 M93 L109 R110 A111 L127	I71-A76 HydrophobicContact CD1-CB 4.14Å; I71-A76 HydrophobicContact CG1-CB 4.01Å; I71-I86 HydrophobicContact CB-CG2 4.42Å; I71-I86 HydrophobicContact CD1-CB 4.2Å; I71-I86 HydrophobicContact CD1-CG2 4.41Å; I71-I86 HydrophobicContact CG1-CB 4.21Å; I71-I86 HydrophobicContact CG1-CG2 3.88Å; I71-I86 HydrophobicContact CG2-CB 4.29Å; I71-I86 HydrophobicContact CG2-CD1 4.14Å; I71-I86 HydrophobicContact CG2-CG2 4.15Å; I71-M93 HydrophobicContact CD1-CE 4.35Å; I71-L109 HydrophobicContact CD1-CD1 4.19Å; I71-R110 WeakPolarHBondContact CA-O 3.46Å; I71-A111 HydrophobicContact CG2-CB 4.14Å; I71-L127 HydrophobicContact CG2-CD1 4.29Å
72	T	93.1	Very high	87.6	Confident	40 Å²	40	56.2 Å²	56.2	25%	0.245	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	146.1	177.5	60.8	0	0	0	0	110.5	D77 L109 R110 H112	T72-D77 VanDerWaalsContact CA-OD1 3.25Å; T72-D77 WeakPolarHBondContact CA-OD1 3.33Å; T72-D77 WeakPolarHBondContact CG2-OD2 3.39Å; T72-L109 CarbonylContact O-C 3.57Å; T72-R110 PolarHBondContact N-O 2.99Å; T72-R110 PolarHBondContact O-N 2.98Å; T72-R110 PolarHBondContact OG1-O 3.23Å; T72-H112 PolarHBondContact OG1-NE2 3.36Å
73	G	92.4	Very high	88.2	Confident	8 Å²	8	54.3 Å²	54.3	8%	0.082	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	135.1	172.6	-178.2	0	0	0	0	0	111.8	G75 A76 D77 Q78 L109	G73-G75 PolarHBondContact O-N 3.22Å; G73-A76 PolarHBondContact O-N 3.48Å; G73-D77 PolarHBondContact N-OD1 3.43Å; G73-D77 PolarHBondContact O-N 2.92Å; G73-Q78 PolarHBondContact O-N 3.49Å; G73-L109 VanDerWaalsContact C-CD2 3.46Å
74	A	90	Very high	89	Confident	14 Å²	14	48.7 Å²	48.7	12%	0.116	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-63.5	128.9	175.3	0	0	0	0	0	110.2	Q78 P79 F107 L109	A74-Q78 HydrophobicContact CB-CB 4.45Å; A74-P79 WeakPolarHBondContact CB-O 3.34Å; A74-F107 WeakPolarHBondContact O-CD1 3.46Å; A74-L109 WeakPolarHBondContact O-CD2 3.32Å
75	G	89.2	Confident	89.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	104.1	-21.1	-165.9	0	0	0	0	0	113.4	G73 Q78 P80 I83 Y84	G73-G75 PolarHBondContact O-N 3.22Å; G75-Q78 PolarHBondContact N-O 3Å; G75-P80 CarbonylContact C-O 3.57Å; G75-P80 WeakPolarHBondContact CA-O 3.45Å; G75-P80 PolarHBondContact N-O 3.33Å; G75-I83 PolarHBondContact O-N 2.9Å; G75-Y84 PolarHBondContact O-N 2.8Å
76	A	91.5	Very high	90.6	Very high	14 Å²	14	44.4 Å²	44.4	12%	0.116	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-91.1	-178.9	0	0	0	0	0	111.6	I71 G73 S81 G82 L109	I71-A76 HydrophobicContact CD1-CB 4.14Å; I71-A76 HydrophobicContact CG1-CB 4.01Å; G73-A76 PolarHBondContact O-N 3.48Å; A76-S81 WeakPolarHBondContact O-CA 3.49Å; A76-G82 PolarHBondContact O-N 3.24Å; A76-L109 HydrophobicContact CB-CD1 4.34Å; A76-L109 HydrophobicContact CB-CD2 3.84Å
77	D	89.9	Confident	91.1	Very high	94 Å²	94	45 Å²	45	50%	0.503	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-12.3	179.7	66	-23.1	0	0	0	113.5	T72 G73	T72-D77 VanDerWaalsContact CA-OD1 3.25Å; T72-D77 WeakPolarHBondContact CA-OD1 3.33Å; T72-D77 WeakPolarHBondContact CG2-OD2 3.39Å; G73-D77 PolarHBondContact N-OD1 3.43Å; G73-D77 PolarHBondContact O-N 2.92Å
78	Q	90.2	Very high	91.2	Very high	103 Å²	103	46.8 Å²	46.8	48%	0.481	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-111.7	152.7	175.9	-61.8	170	14.7	0	0	110.7	G73 A74 G75 P80	G73-Q78 PolarHBondContact O-N 3.49Å; A74-Q78 HydrophobicContact CB-CB 4.45Å; G75-Q78 PolarHBondContact N-O 3Å; Q78-P80 CarbonylContact O-C 3.57Å; Q78-P80 VanDerWaalsContact O-C 3.28Å; Q78-P80 VanDerWaalsContact O-O 3.1Å
79	P	86.3	Confident	91.1	Very high	110 Å²	110	46.7 Å²	46.7	71%	0.714	28%	0.281	S	S	*	.	S	Bend	trans	-61.9	141.3	-176.6	23.5	-34	0	0	0	113.4	A74	A74-P79 WeakPolarHBondContact CB-O 3.34Å
80	P	88.4	Confident	90.9	Very high	40 Å²	40	47 Å²	47	26%	0.26	29%	0.285	S	S	.	.	S	Bend	cis	-68.8	127.1	-9.8	29.9	-34.2	0	0	0	110.7	G75 Q78 I83 F107	G75-P80 CarbonylContact C-O 3.57Å; G75-P80 WeakPolarHBondContact CA-O 3.45Å; G75-P80 PolarHBondContact N-O 3.33Å; Q78-P80 CarbonylContact O-C 3.57Å; Q78-P80 VanDerWaalsContact O-C 3.28Å; Q78-P80 VanDerWaalsContact O-O 3.1Å; P80-I83 HydrophobicContact CB-CD1 3.87Å; P80-I83 HydrophobicContact CB-CG1 4.48Å; P80-I83 HydrophobicContact CG-CD1 3.59Å; P80-F107 HydrophobicContact CG-CE1 4.18Å
81	S	88.1	Confident	90.8	Very high	87 Å²	87	44.6 Å²	44.6	61%	0.608	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-93.5	141.9	-167.8	55.4	0	0	0	0	112.8	A76	A76-S81 WeakPolarHBondContact O-CA 3.49Å
82	G	87.1	Confident	90.7	Very high	37 Å²	37	45.3 Å²	45.3	38%	0.381	27%	0.272	S	S	.	.	S	Bend	trans	84.4	5.7	172.8	0	0	0	0	0	116.4	A76 Y84 T96	A76-G82 PolarHBondContact O-N 3.24Å; G82-Y84 VanDerWaalsContact C-N 3.31Å; G82-T96 WeakPolarHBondContact O-CG2 3.34Å; G82-T96 PolarHBondContact O-OG1 2.84Å
83	I	93.3	Very high	90.7	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.031	26%	0.26	C	S	.	.	S	Bend	trans	-62.7	-39.8	172.7	-60.4	-171.7	0	0	0	110.8	G75 P80 V95 T96 Q97 L99 F107	G75-I83 PolarHBondContact O-N 2.9Å; P80-I83 HydrophobicContact CB-CD1 3.87Å; P80-I83 HydrophobicContact CB-CG1 4.48Å; P80-I83 HydrophobicContact CG-CD1 3.59Å; I83-V95 HydrophobicContact CG2-CG2 4.09Å; I83-V95 CarbonylContact O-C 3.53Å; I83-V95 WeakPolarHBondContact O-CA 3.45Å; I83-T96 WeakPolarHBondContact CA-OG1 3.38Å; I83-T96 PolarHBondContact O-N 3.45Å; I83-T96 PolarHBondContact O-OG1 3.21Å; I83-Q97 HydrophobicContact CG1-CG 4.37Å; I83-Q97 HydrophobicContact CG2-CG 4.26Å; I83-L99 HydrophobicContact CG2-CD2 3.37Å; I83-F107 HydrophobicContact CD1-CE1 4.04Å; I83-F107 HydrophobicContact CD1-CZ 4.08Å
84	Y	94.4	Very high	90.8	Very high	5 Å²	5	45.4 Å²	45.4	2%	0.02	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.2	177.1	-55.7	-80.1	0	0	0	110.9	L54 G75 G82 M93 F94 V95 L99 F107 L109 I129	L54-Y84 HydrophobicContact CD1-CD1 3.89Å; L54-Y84 HydrophobicContact CD1-CE1 3.84Å; G75-Y84 PolarHBondContact O-N 2.8Å; G82-Y84 VanDerWaalsContact C-N 3.31Å; Y84-M93 HydrophobicContact CD1-CE 4.04Å; Y84-M93 HydrophobicContact CG-CE 4.17Å; Y84-F94 WeakPolarHBondContact CA-O 3.45Å; Y84-V95 HydrophobicContact CD1-CB 4.16Å; Y84-V95 HydrophobicContact CD1-CG2 4.25Å; Y84-V95 HydrophobicContact CE1-CB 4.12Å; Y84-V95 HydrophobicContact CE1-CG2 3.96Å; Y84-L99 VanDerWaalsContact OH-CD1 3.31Å; Y84-L99 WeakPolarHBondContact OH-CD1 3.47Å; Y84-F107 HydrophobicContact CE2-CB 4.06Å; Y84-F107 AromaticContact CE2-CD1 3.75Å; Y84-F107 HydrophobicContact CE2-CD1 3.75Å; Y84-F107 AromaticContact CE2-CD2 3.79Å; Y84-F107 HydrophobicContact CE2-CD2 3.79Å; Y84-F107 HydrophobicContact CE2-CE1 4.06Å; Y84-F107 HydrophobicContact CE2-CE2 4.12Å; Y84-F107 AromaticContact CE2-CG 3.6Å; Y84-F107 HydrophobicContact CE2-CG 3.6Å; Y84-F107 HydrophobicContact CE2-CZ 4.24Å; Y84-F107 AromaticContact CZ-CD2 3.93Å; Y84-F107 WeakPolarHBondContact OH-CD2 3.46Å; Y84-F107 WeakPolarHBondContact OH-CE2 3.48Å; Y84-L109 HydrophobicContact CD2-CD1 3.89Å; Y84-L109 HydrophobicContact CG-CD1 3.95Å; Y84-I129 HydrophobicContact CD1-CD1 3.78Å; Y84-I129 HydrophobicContact CD2-CD1 4.08Å; Y84-I129 HydrophobicContact CE1-CD1 3.53Å; Y84-I129 HydrophobicContact CE1-CG2 4.23Å; Y84-I129 HydrophobicContact CE2-CD1 3.87Å; Y84-I129 HydrophobicContact CG-CD1 4.03Å
85	N	93.6	Very high	91	Very high	96 Å²	96	44.9 Å²	44.9	51%	0.513	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.4	176.3	-165.9	3.4	0	0	0	110.1	M93 F94 T96	N85-M93 CarbonylContact O-C 3.56Å; N85-M93 WeakPolarHBondContact O-CA 3.37Å; N85-F94 PolarHBondContact N-O 3.07Å; N85-F94 PolarHBondContact O-N 2.8Å; N85-T96 HydrophobicContact CB-CG2 4.31Å
86	I	94.4	Very high	91.2	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.051	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.3	173.7	-163.1	169.7	0	0	0	109.9	I57 I71 P88 N92 M93	I57-I86 HydrophobicContact CB-CD1 4.39Å; I57-I86 HydrophobicContact CD1-CD1 4.26Å; I71-I86 HydrophobicContact CB-CG2 4.42Å; I71-I86 HydrophobicContact CD1-CB 4.2Å; I71-I86 HydrophobicContact CD1-CG2 4.41Å; I71-I86 HydrophobicContact CG1-CB 4.21Å; I71-I86 HydrophobicContact CG1-CG2 3.88Å; I71-I86 HydrophobicContact CG2-CB 4.29Å; I71-I86 HydrophobicContact CG2-CD1 4.14Å; I71-I86 HydrophobicContact CG2-CG2 4.15Å; I86-P88 WeakPolarHBondContact O-CD 3.3Å; I86-N92 CarbonylContact C-O 3.58Å; I86-N92 WeakPolarHBondContact CA-O 3.23Å; I86-M93 HydrophobicContact CG1-CB 4.36Å
87	D	93.9	Very high	91.2	Very high	54 Å²	54	50.9 Å²	50.9	29%	0.289	29%	0.292	S	S	.	.			trans	-64.4	117.2	170.2	171.7	-9	0	0	0	108.7	I89 S90 G91 N92 F94	D87-I89 PolarHBondContact O-N 3.42Å; D87-I89 VanDerWaalsContact O-N 3.12Å; D87-I89 PolarHBondContact OD1-N 3.42Å; D87-S90 WeakPolarHBondContact CB-OG 3.49Å; D87-S90 PolarHBondContact OD1-N 2.77Å; D87-S90 VanDerWaalsContact OD1-N 3.14Å; D87-S90 WeakPolarHBondContact OD2-CB 3.43Å; D87-S90 PolarHBondContact OD2-N 2.96Å; D87-S90 PolarHBondContact OD2-OG 2.85Å; D87-G91 WeakPolarHBondContact O-CA 3.37Å; D87-G91 PolarHBondContact O-N 2.86Å; D87-N92 HydrophobicContact CB-CB 4.38Å; D87-N92 PolarHBondContact N-O 3.41Å; D87-F94 HydrophobicContact CB-CE2 4.35Å
88	P	90.9	Very high	91.3	Very high	49 Å²	49	49.5 Å²	49.5	32%	0.318	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.4	-174.8	25.4	-34	0	0	0	113.9	R68 Y69 I86	R68-P88 VanDerWaalsContact CA-O 3.29Å; R68-P88 WeakPolarHBondContact CA-O 3.4Å; R68-P88 HydrophobicContact CG-CB 3.91Å; Y69-P88 PolarHBondContact N-O 3.38Å; Y69-P88 WeakPolarHBondContact O-CA 3.47Å; I86-P88 WeakPolarHBondContact O-CD 3.3Å
89	I	88.1	Confident	91.4	Very high	132 Å²	132	45.1 Å²	45.1	68%	0.677	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-50.2	-178.2	-57.3	176	0	0	0	110.9	D87	D87-I89 PolarHBondContact O-N 3.42Å; D87-I89 VanDerWaalsContact O-N 3.12Å; D87-I89 PolarHBondContact OD1-N 3.42Å
90	S	88.3	Confident	91.8	Very high	19 Å²	19	43.3 Å²	43.3	13%	0.133	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-25.1	-177.5	74.9	0	0	0	0	113.7	R56 D87 N92	R56-S90 PolarHBondContact NE-O 3.15Å; R56-S90 PolarHBondContact NH2-O 2.02Å; D87-S90 WeakPolarHBondContact CB-OG 3.49Å; D87-S90 PolarHBondContact OD1-N 2.77Å; D87-S90 VanDerWaalsContact OD1-N 3.14Å; D87-S90 WeakPolarHBondContact OD2-CB 3.43Å; D87-S90 PolarHBondContact OD2-N 2.96Å; D87-S90 PolarHBondContact OD2-OG 2.85Å; S90-N92 VanDerWaalsContact C-N 3.25Å; S90-N92 WeakPolarHBondContact OG-CB 3.23Å; S90-N92 PolarHBondContact OG-N 3.28Å; S90-N92 PolarHBondContact OG-ND2 2.77Å
91	G	89.1	Confident	92.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.246	C	C	.	.			trans	75.4	10.9	-170.6	0	0	0	0	0	113.8	R56 I57 D87 M93	R56-G91 WeakPolarHBondContact CA-O 3.48Å; I57-G91 PolarHBondContact N-O 3.38Å; I57-G91 WeakPolarHBondContact O-CA 3.41Å; D87-G91 WeakPolarHBondContact O-CA 3.37Å; D87-G91 PolarHBondContact O-N 2.86Å; G91-M93 PolarHBondContact O-N 3.29Å
92	N	93.1	Very high	92.4	Very high	33 Å²	33	42.1 Å²	42.1	18%	0.176	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	125	172.4	-68.5	-10.7	0	0	0	109.7	M53 R56 I86 D87 S90 F94	M53-N92 HydrophobicContact CE-CB 3.83Å; M53-N92 VanDerWaalsContact CE-CG 3.43Å; M53-N92 VanDerWaalsContact CE-OD1 3.25Å; M53-N92 WeakPolarHBondContact CE-OD1 3.06Å; M53-N92 HydrophobicContact SD-CB 4.14Å; R56-N92 WeakPolarHBondContact CD-OD1 3.42Å; R56-N92 VanDerWaalsContact CG-OD1 3.27Å; R56-N92 WeakPolarHBondContact CG-OD1 3.36Å; I86-N92 CarbonylContact C-O 3.58Å; I86-N92 WeakPolarHBondContact CA-O 3.23Å; D87-N92 HydrophobicContact CB-CB 4.38Å; D87-N92 PolarHBondContact N-O 3.41Å; S90-N92 VanDerWaalsContact C-N 3.25Å; S90-N92 WeakPolarHBondContact OG-CB 3.23Å; S90-N92 PolarHBondContact OG-N 3.28Å; S90-N92 PolarHBondContact OG-ND2 2.77Å; N92-F94 HydrophobicContact CB-CD2 4.48Å; N92-F94 HydrophobicContact CB-CE2 3.56Å; N92-F94 HydrophobicContact CB-CZ 3.76Å; N92-F94 WeakPolarHBondContact O-CD2 3.2Å; N92-F94 VanDerWaalsContact O-CE2 3.3Å; N92-F94 WeakPolarHBondContact O-CE2 3.25Å
93	M	93.5	Very high	92.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.4	177.6	-176.6	178.9	177.5	0	0	110.1	I40 L54 V55 I57 I71 Y84 N85 I86 G91 L109 L127 I129	I40-M93 HydrophobicContact CD1-SD 4.14Å; L54-M93 PolarHBondContact N-O 2.96Å; V55-M93 HydrophobicContact CG2-CB 3.88Å; V55-M93 HydrophobicContact CG2-CG 4.46Å; V55-M93 HydrophobicContact CG2-SD 3.94Å; V55-M93 PolarHBondContact O-N 3.19Å; I57-M93 HydrophobicContact CD1-SD 4.45Å; I71-M93 HydrophobicContact CD1-CE 4.35Å; Y84-M93 HydrophobicContact CD1-CE 4.04Å; Y84-M93 HydrophobicContact CG-CE 4.17Å; N85-M93 CarbonylContact O-C 3.56Å; N85-M93 WeakPolarHBondContact O-CA 3.37Å; I86-M93 HydrophobicContact CG1-CB 4.36Å; G91-M93 PolarHBondContact O-N 3.29Å; M93-L109 HydrophobicContact CE-CD1 3.75Å; M93-L127 HydrophobicContact CE-CD1 4.38Å; M93-L127 HydrophobicContact SD-CD1 4.06Å; M93-I129 HydrophobicContact CE-CD1 3.65Å
94	F	93.2	Very high	92.5	Very high	50 Å²	50	50.5 Å²	50.5	22%	0.219	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	151.8	-176	-54.7	-100.9	0	0	0	111.3	P51 H52 M53 Y84 N85 D87 N92	P51-F94 HydrophobicContact CB-CB 3.98Å; P51-F94 HydrophobicContact CB-CD1 4.21Å; P51-F94 HydrophobicContact CB-CG 4.33Å; H52-F94 CarbonylContact O-C 3.6Å; H52-F94 WeakPolarHBondContact O-CA 3.44Å; M53-F94 HydrophobicContact CB-CD1 3.77Å; M53-F94 HydrophobicContact CB-CE1 3.73Å; M53-F94 HydrophobicContact CG-CD1 4.33Å; M53-F94 HydrophobicContact CG-CE1 4.12Å; Y84-F94 WeakPolarHBondContact CA-O 3.45Å; N85-F94 PolarHBondContact N-O 3.07Å; N85-F94 PolarHBondContact O-N 2.8Å; D87-F94 HydrophobicContact CB-CE2 4.35Å; N92-F94 HydrophobicContact CB-CD2 4.48Å; N92-F94 HydrophobicContact CB-CE2 3.56Å; N92-F94 HydrophobicContact CB-CZ 3.76Å; N92-F94 WeakPolarHBondContact O-CD2 3.2Å; N92-F94 VanDerWaalsContact O-CE2 3.3Å; N92-F94 WeakPolarHBondContact O-CE2 3.25Å
95	V	94.4	Very high	92.4	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.024	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	140.3	160.6	65.5	0	0	0	0	109.3	F50 P51 H52 L54 I83 Y84 Q97 L99	F50-V95 HydrophobicContact CD1-CG1 4.28Å; F50-V95 HydrophobicContact CE1-CG1 4.05Å; P51-V95 CarbonylContact C-O 3.58Å; P51-V95 VanDerWaalsContact CA-O 3.27Å; P51-V95 WeakPolarHBondContact CA-O 3.35Å; H52-V95 HydrophobicContact CB-CG1 3.93Å; H52-V95 PolarHBondContact N-O 2.77Å; H52-V95 PolarHBondContact O-N 2.99Å; L54-V95 HydrophobicContact CD1-CB 4.2Å; L54-V95 HydrophobicContact CD2-CB 4.37Å; L54-V95 HydrophobicContact CD2-CG1 3.91Å; L54-V95 HydrophobicContact CG-CB 4.38Å; L54-V95 HydrophobicContact CG-CG1 4.36Å; I83-V95 HydrophobicContact CG2-CG2 4.09Å; I83-V95 CarbonylContact O-C 3.53Å; I83-V95 WeakPolarHBondContact O-CA 3.45Å; Y84-V95 HydrophobicContact CD1-CB 4.16Å; Y84-V95 HydrophobicContact CD1-CG2 4.25Å; Y84-V95 HydrophobicContact CE1-CB 4.12Å; Y84-V95 HydrophobicContact CE1-CG2 3.96Å; V95-Q97 WeakPolarHBondContact CG2-O 3.45Å; V95-L99 HydrophobicContact CG2-CD1 4.38Å; V95-L99 HydrophobicContact CG2-CD2 3.87Å; V95-L99 HydrophobicContact CG2-CG 4.18Å
96	T	92.8	Very high	92.4	Very high	51 Å²	51	50.7 Å²	50.7	31%	0.313	27%	0.27	S	S	.	.			trans	-101.9	-16.9	-168.5	58.5	0	0	0	0	114.7	F50 G82 I83 N85	F50-T96 VanDerWaalsContact CB-O 3.32Å; F50-T96 WeakPolarHBondContact CB-O 3.27Å; G82-T96 WeakPolarHBondContact O-CG2 3.34Å; G82-T96 PolarHBondContact O-OG1 2.84Å; I83-T96 WeakPolarHBondContact CA-OG1 3.38Å; I83-T96 PolarHBondContact O-N 3.45Å; I83-T96 PolarHBondContact O-OG1 3.21Å; N85-T96 HydrophobicContact CB-CG2 4.31Å
97	Q	91.5	Very high	92.4	Very high	88 Å²	88	50.5 Å²	50.5	41%	0.411	27%	0.269	S	S	.	.	S	Bend	trans	-146.8	164.9	-174.3	55.5	174.8	73	0	0	109.7	F50 I83 V95	F50-Q97 WeakPolarHBondContact CE1-O 3.48Å; F50-Q97 VanDerWaalsContact CZ-C 3.46Å; I83-Q97 HydrophobicContact CG1-CG 4.37Å; I83-Q97 HydrophobicContact CG2-CG 4.26Å; V95-Q97 WeakPolarHBondContact CG2-O 3.45Å
98	P	92.5	Very high	92.4	Very high	66 Å²	66	51.9 Å²	51.9	43%	0.429	27%	0.273	S	S	.	.			trans	-56.9	154.5	164.6	26.5	-35.5	0	0	0	110.9	F50	F50-P98 HydrophobicContact CZ-CB 4.23Å; F50-P98 VanDerWaalsContact CZ-N 3.3Å
99	L	93.2	Very high	92.5	Very high	11 Å²	11	49.6 Å²	49.6	6%	0.058	26%	0.258	C	S	.	.			trans	-105.4	163.5	170.9	-52.4	174.5	0	0	0	108.6	V42 E44 N45 I83 Y84 V95 V131	V42-L99 HydrophobicContact CB-CD1 3.99Å; V42-L99 HydrophobicContact CG1-CD1 3.76Å; E44-L99 WeakPolarHBondContact CA-O 3.28Å; E44-L99 VanDerWaalsContact CB-O 3.31Å; E44-L99 WeakPolarHBondContact CB-O 3.44Å; N45-L99 PolarHBondContact N-O 2.81Å; I83-L99 HydrophobicContact CG2-CD2 3.37Å; Y84-L99 VanDerWaalsContact OH-CD1 3.31Å; Y84-L99 WeakPolarHBondContact OH-CD1 3.47Å; V95-L99 HydrophobicContact CG2-CD1 4.38Å; V95-L99 HydrophobicContact CG2-CD2 3.87Å; V95-L99 HydrophobicContact CG2-CG 4.18Å; L99-V131 HydrophobicContact CB-CG1 4.15Å; L99-V131 HydrophobicContact CB-CG2 4.35Å; L99-V131 HydrophobicContact CD1-CG2 4.12Å
100	D	94.1	Very high	92.7	Very high	71 Å²	71	48.3 Å²	48.3	38%	0.38	25%	0.245	S	C	.	.			trans	-140.8	125	-178.3	172	-36.3	0	0	0	105	E102 E103 R104	D100-E102 PolarHBondContact OD1-N 2.87Å; D100-E102 VanDerWaalsContact OD1-N 3.1Å; D100-E103 HydrophobicContact CB-CB 4.2Å; D100-E103 WeakPolarHBondContact OD1-CB 3.33Å; D100-E103 PolarHBondContact OD1-N 2.9Å; D100-R104 PolarHBondContact O-N 2.88Å; D100-R104 VanDerWaalsContact O-N 3.1Å
101	R	94.8	Very high	92.9	Very high	38 Å²	38	47.6 Å²	47.6	14%	0.143	24%	0.241	C	C	.	.	H	α-helix	trans	-88.1	-27.5	-172.5	-171.9	-131.1	62.5	140.2	5.3	111.4	E44 R104 A105 V131 D133 S168 D170	E44-R101 VanDerWaalsContact CD-CB 3.49Å; E44-R101 WeakPolarHBondContact OE1-CB 2.99Å; E44-R101 WeakPolarHBondContact OE2-CB 3.39Å; E44-R101 PolarHBondContact OE2-N 3.4Å; R101-R104 CarbonylContact O-C 3.6Å; R101-R104 PolarHBondContact O-N 3.12Å; R101-A105 HydrophobicContact CG-CB 3.79Å; R101-A105 PolarHBondContact O-N 3.39Å; R101-V131 HydrophobicContact CB-CB 4.13Å; R101-V131 HydrophobicContact CB-CG1 3.76Å; R101-V131 HydrophobicContact CG-CB 4.09Å; R101-V131 HydrophobicContact CG-CG1 4.2Å; R101-D133 WeakPolarHBondContact CD-OD1 3.46Å; R101-D133 IonicContact CZ-OD1 3.23Å; R101-D133 IonicContact NE-OD1 3.17Å; R101-D133 PolarHBondContact NE-OD1 2.92Å; R101-D133 IonicContact NH1-OD1 2.83Å; R101-D133 PolarHBondContact NH1-OD1 2.98Å; R101-S168 PolarHBondContact NH2-O 2.73Å; R101-D170 VanDerWaalsContact NH1-CB 3.31Å
102	E	94.2	Very high	93	Very high	65 Å²	65	49.5 Å²	49.5	30%	0.304	25%	0.249	S	C	.	.	H	α-helix	trans	-69.1	-40.1	174.4	-70.5	63.3	-100.7	0	0	110.6	D100 N137	D100-E102 PolarHBondContact OD1-N 2.87Å; D100-E102 VanDerWaalsContact OD1-N 3.1Å; E102-N137 VanDerWaalsContact CD-ND2 3.26Å; E102-N137 PolarHBondContact OE2-ND2 2.82Å
103	E	91.8	Very high	92.9	Very high	137 Å²	137	48.3 Å²	48.3	64%	0.64	24%	0.244	S	C	*	.	H	α-helix	trans	-65.1	-49.9	166.5	-167.4	-166.6	-178.2	0	0	109.7	D100	D100-E103 HydrophobicContact CB-CB 4.2Å; D100-E103 WeakPolarHBondContact OD1-CB 3.33Å; D100-E103 PolarHBondContact OD1-N 2.9Å
104	R	91.4	Very high	92.7	Very high	81 Å²	81	49.9 Å²	49.9	31%	0.306	25%	0.253	S	S	.	.	H	α-helix	trans	-159.3	87.2	-174.3	-165.4	154.8	-179.7	158.1	7.5	117.6	D100 R101 S106 F107 V131	D100-R104 PolarHBondContact O-N 2.88Å; D100-R104 VanDerWaalsContact O-N 3.1Å; R101-R104 CarbonylContact O-C 3.6Å; R101-R104 PolarHBondContact O-N 3.12Å; R104-S106 WeakPolarHBondContact CG-O 3.36Å; R104-S106 PolarHBondContact NE-O 3.46Å; R104-S106 PolarHBondContact O-N 3.42Å; R104-F107 HydrophobicContact CB-CE2 4.25Å; R104-F107 HydrophobicContact CB-CZ 3.94Å; R104-F107 VanDerWaalsContact CD-CE1 3.48Å; R104-F107 HydrophobicContact CG-CD1 4.48Å; R104-F107 HydrophobicContact CG-CD2 4.45Å; R104-F107 HydrophobicContact CG-CE1 4.04Å; R104-F107 HydrophobicContact CG-CE2 3.97Å; R104-F107 HydrophobicContact CG-CZ 3.76Å; R104-V131 WeakPolarHBondContact O-CG2 3.39Å
105	A	92.2	Very high	92.4	Very high	47 Å²	47	48.5 Å²	48.5	39%	0.388	25%	0.248	S	C	.	.	S	Bend	trans	-53.3	-21.7	173.4	0	0	0	0	0	117.3	R101 V131	R101-A105 HydrophobicContact CG-CB 3.79Å; R101-A105 PolarHBondContact O-N 3.39Å; A105-V131 PolarHBondContact O-N 2.76Å
106	S	93.9	Very high	91.8	Very high	58 Å²	58	54.2 Å²	54.2	41%	0.406	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	154.5	176.7	68.7	0	0	0	0	116.8	R104 I129	R104-S106 WeakPolarHBondContact CG-O 3.36Å; R104-S106 PolarHBondContact NE-O 3.46Å; R104-S106 PolarHBondContact O-N 3.42Å; S106-I129 VanDerWaalsContact CA-O 3.31Å; S106-I129 WeakPolarHBondContact CA-O 3.49Å; S106-I129 WeakPolarHBondContact CB-O 3.04Å
107	F	93.4	Very high	91.3	Very high	7 Å²	7	58.1 Å²	58.1	3%	0.031	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.9	175.9	-58.2	-99.7	0	0	0	110.4	A74 P80 I83 Y84 R104 I129 V131	A74-F107 WeakPolarHBondContact O-CD1 3.46Å; P80-F107 HydrophobicContact CG-CE1 4.18Å; I83-F107 HydrophobicContact CD1-CE1 4.04Å; I83-F107 HydrophobicContact CD1-CZ 4.08Å; Y84-F107 HydrophobicContact CE2-CB 4.06Å; Y84-F107 AromaticContact CE2-CD1 3.75Å; Y84-F107 HydrophobicContact CE2-CD1 3.75Å; Y84-F107 AromaticContact CE2-CD2 3.79Å; Y84-F107 HydrophobicContact CE2-CD2 3.79Å; Y84-F107 HydrophobicContact CE2-CE1 4.06Å; Y84-F107 HydrophobicContact CE2-CE2 4.12Å; Y84-F107 AromaticContact CE2-CG 3.6Å; Y84-F107 HydrophobicContact CE2-CG 3.6Å; Y84-F107 HydrophobicContact CE2-CZ 4.24Å; Y84-F107 AromaticContact CZ-CD2 3.93Å; Y84-F107 WeakPolarHBondContact OH-CD2 3.46Å; Y84-F107 WeakPolarHBondContact OH-CE2 3.48Å; R104-F107 HydrophobicContact CB-CE2 4.25Å; R104-F107 HydrophobicContact CB-CZ 3.94Å; R104-F107 VanDerWaalsContact CD-CE1 3.48Å; R104-F107 HydrophobicContact CG-CD1 4.48Å; R104-F107 HydrophobicContact CG-CD2 4.45Å; R104-F107 HydrophobicContact CG-CE1 4.04Å; R104-F107 HydrophobicContact CG-CE2 3.97Å; R104-F107 HydrophobicContact CG-CZ 3.76Å; F107-I129 HydrophobicContact CB-CB 4.23Å; F107-I129 HydrophobicContact CB-CD1 4.37Å; F107-I129 PolarHBondContact N-O 3.41Å; F107-I129 PolarHBondContact O-N 3.01Å; F107-V131 HydrophobicContact CD2-CG2 4.39Å; F107-V131 HydrophobicContact CE2-CG2 4Å
108	H	93.3	Very high	90.6	Very high	83 Å²	83	56.5 Å²	56.5	38%	0.384	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	107.6	170.8	179	-172.9	0	0	0	107.8	D126 Y128	H108-D126 IonicContact CD2-OD1 3.04Å; H108-D126 IonicContact CE1-OD1 2.76Å; H108-D126 VanDerWaalsContact NE2-CG 3.31Å; H108-D126 IonicContact NE2-OD1 3.16Å; H108-D126 PolarHBondContact NE2-OD1 3.42Å; H108-Y128 HydrophobicContact CB-CD1 4.3Å; H108-Y128 HydrophobicContact CB-CE1 4.13Å; H108-Y128 AromaticContact CD2-CE1 3.9Å; H108-Y128 AromaticContact CG-CE1 3.67Å; H108-Y128 AromaticContact ND1-CE1 3.81Å
109	L	93.3	Very high	90.3	Very high	1 Å²	1	58 Å²	58	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	165.7	174.2	-63.8	-175.2	0	0	0	110.7	I71 T72 G73 A74 A76 Y84 M93 L127 I129	I71-L109 HydrophobicContact CD1-CD1 4.19Å; T72-L109 CarbonylContact O-C 3.57Å; G73-L109 VanDerWaalsContact C-CD2 3.46Å; A74-L109 WeakPolarHBondContact O-CD2 3.32Å; A76-L109 HydrophobicContact CB-CD1 4.34Å; A76-L109 HydrophobicContact CB-CD2 3.84Å; Y84-L109 HydrophobicContact CD2-CD1 3.89Å; Y84-L109 HydrophobicContact CG-CD1 3.95Å; M93-L109 HydrophobicContact CE-CD1 3.75Å; L109-L127 HydrophobicContact CB-CB 4.28Å; L109-L127 HydrophobicContact CB-CD1 4.43Å; L109-L127 PolarHBondContact N-O 3.26Å; L109-L127 PolarHBondContact O-N 2.86Å; L109-I129 HydrophobicContact CD1-CD1 3.92Å; L109-I129 HydrophobicContact CG-CD1 4.39Å
110	R	92.9	Very high	89.8	Confident	104 Å²	104	65 Å²	65	39%	0.392	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	120.2	177.4	179.7	168.8	-73.4	171.2	-4.8	109.8	I71 T72 H112 P124 I125 D126	I71-R110 WeakPolarHBondContact CA-O 3.46Å; T72-R110 PolarHBondContact N-O 2.99Å; T72-R110 PolarHBondContact O-N 2.98Å; T72-R110 PolarHBondContact OG1-O 3.23Å; R110-H112 PolarHBondContact O-CD2 2.84Å; R110-H112 PolarHBondContact O-NE2 3.3Å; R110-P124 HydrophobicContact CG-CB 3.67Å; R110-I125 CarbonylContact C-O 3.59Å; R110-I125 WeakPolarHBondContact CA-O 3.45Å; R110-D126 IonicContact CZ-OD1 2.93Å; R110-D126 IonicContact NE-OD1 2.85Å; R110-D126 PolarHBondContact NE-OD1 2.8Å; R110-D126 IonicContact NE-OD2 3.76Å; R110-D126 IonicContact NH2-OD1 3.09Å; R110-D126 PolarHBondContact NH2-OD1 2.84Å; R110-D126 IonicContact NH2-OD2 3.45Å; R110-D126 PolarHBondContact NH2-OD2 2.93Å; R110-D126 VanDerWaalsContact NH2-OD2 3.13Å
111	A	91.9	Very high	89.4	Confident	5 Å²	5	63.7 Å²	63.7	4%	0.041	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	143.3	176.2	0	0	0	0	0	111.3	I57 S70 I71 P124 I125 L127	I57-A111 HydrophobicContact CD1-CB 3.88Å; I57-A111 HydrophobicContact CG2-CB 4.43Å; S70-A111 CarbonylContact O-C 3.53Å; S70-A111 WeakPolarHBondContact O-CA 3.4Å; I71-A111 HydrophobicContact CG2-CB 4.14Å; A111-P124 CarbonylContact O-C 3.53Å; A111-P124 VanDerWaalsContact O-CA 3.28Å; A111-P124 WeakPolarHBondContact O-CA 3.47Å; A111-I125 HydrophobicContact CB-CG2 4.07Å; A111-I125 PolarHBondContact N-O 2.92Å; A111-I125 PolarHBondContact O-N 2.87Å; A111-L127 HydrophobicContact CB-CD1 4.04Å; A111-L127 HydrophobicContact CB-CG 4.42Å
112	H	91.8	Very high	89	Confident	40 Å²	40	65.5 Å²	65.5	19%	0.185	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.6	177.1	-50.1	-106.3	0	0	0	109.7	Y69 S70 T72 R110 P124	Y69-H112 WeakPolarHBondContact CA-O 3.26Å; S70-H112 PolarHBondContact N-O 2.88Å; S70-H112 VanDerWaalsContact N-O 3.16Å; S70-H112 PolarHBondContact O-N 2.88Å; T72-H112 PolarHBondContact OG1-NE2 3.36Å; R110-H112 PolarHBondContact O-CD2 2.84Å; R110-H112 PolarHBondContact O-NE2 3.3Å; H112-P124 WeakPolarHBondContact ND1-CG 3.49Å
113	A	91	Very high	88.6	Confident	8 Å²	8	69.3 Å²	69.3	7%	0.066	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	118	172.3	0	0	0	0	0	109.1	I67 Y69 V121 E122	I67-A113 HydrophobicContact CG2-CB 3.87Å; Y69-A113 HydrophobicContact CD1-CB 4.04Å; Y69-A113 HydrophobicContact CE1-CB 3.91Å; A113-V121 PolarHBondContact O-N 2.8Å; A113-E122 HydrophobicContact CB-CB 4.13Å; A113-E122 HydrophobicContact CB-CG 4.01Å; A113-E122 PolarHBondContact O-N 2.71Å
114	V	89.9	Confident	88.5	Confident	32 Å²	32	65 Å²	65	19%	0.194	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	154	-179.7	-59.9	0	0	0	0	111	I67 R68 N119 K120	I67-V114 CarbonylContact C-O 3.58Å; I67-V114 VanDerWaalsContact CA-O 3.3Å; I67-V114 WeakPolarHBondContact CA-O 3.22Å; R68-V114 HydrophobicContact CB-CG2 4.06Å; R68-V114 PolarHBondContact N-O 3.34Å; R68-V114 PolarHBondContact O-N 2.77Å; V114-N119 CarbonylContact C-O 3.5Å; V114-N119 WeakPolarHBondContact CA-O 3.25Å; V114-N119 WeakPolarHBondContact CB-O 3.39Å; V114-K120 HydrophobicContact CG1-CG 4.39Å
115	D	86.8	Confident	88.4	Confident	21 Å²	21	64.2 Å²	64.2	11%	0.112	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	172.2	172.1	77.6	-5.4	0	0	0	111.1	V65 G66 N117 G118 N119 V121	V65-D115 HydrophobicContact CG1-CB 3.78Å; G66-D115 WeakPolarHBondContact O-CA 3.29Å; D115-N117 PolarHBondContact O-N 2.86Å; D115-N117 VanDerWaalsContact OD1-C 3.24Å; D115-N117 VanDerWaalsContact OD1-CA 3.26Å; D115-N117 WeakPolarHBondContact OD1-CA 3.3Å; D115-N117 WeakPolarHBondContact OD1-CB 3.39Å; D115-N117 PolarHBondContact OD1-N 3.37Å; D115-N117 PolarHBondContact OD2-ND2 3.47Å; D115-G118 PolarHBondContact O-N 2.81Å; D115-G118 PolarHBondContact OD1-N 2.8Å; D115-N119 PolarHBondContact N-O 3.13Å; D115-N119 WeakPolarHBondContact OD1-CB 3.24Å; D115-N119 PolarHBondContact OD1-N 3.29Å; D115-N119 PolarHBondContact OD1-ND2 2.86Å; D115-N119 PolarHBondContact OD2-ND2 2.88Å; D115-V121 HydrophobicContact CB-CG2 3.81Å
116	M	80.9	Confident	88.3	Confident	124 Å²	124	64.2 Å²	64.2	61%	0.611	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-9.1	174.6	-66.3	-63.6	171.6	0	0	114.3	G66	G66-M116 WeakPolarHBondContact O-CG 3.47Å; G66-M116 PolarHBondContact O-N 3.49Å; G66-M116 VanDerWaalsContact O-N 3.17Å
117	N	82.1	Confident	88.2	Confident	134 Å²	134	61.6 Å²	61.6	72%	0.717	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-2.8	176.5	-46.9	-63.2	0	0	0	112.6	D115	D115-N117 PolarHBondContact O-N 2.86Å; D115-N117 VanDerWaalsContact OD1-C 3.24Å; D115-N117 VanDerWaalsContact OD1-CA 3.26Å; D115-N117 WeakPolarHBondContact OD1-CA 3.3Å; D115-N117 WeakPolarHBondContact OD1-CB 3.39Å; D115-N117 PolarHBondContact OD1-N 3.37Å; D115-N117 PolarHBondContact OD2-ND2 3.47Å
118	G	78.2	Confident	88.2	Confident	53 Å²	53	65.8 Å²	65.8	55%	0.546	34%	0.34	S	S	.	.	S	Bend	trans	89.7	3.4	-178.7	0	0	0	0	0	115.8	D115	D115-G118 PolarHBondContact O-N 2.81Å; D115-G118 PolarHBondContact OD1-N 2.8Å
119	N	85.1	Confident	88.2	Confident	97 Å²	97	61.9 Å²	61.9	52%	0.519	32%	0.322	S	S	.	.			trans	-73.9	140.1	175.6	-56.7	-65.3	0	0	0	110.6	V114 D115 V121	V114-N119 CarbonylContact C-O 3.5Å; V114-N119 WeakPolarHBondContact CA-O 3.25Å; V114-N119 WeakPolarHBondContact CB-O 3.39Å; D115-N119 PolarHBondContact N-O 3.13Å; D115-N119 WeakPolarHBondContact OD1-CB 3.24Å; D115-N119 PolarHBondContact OD1-N 3.29Å; D115-N119 PolarHBondContact OD1-ND2 2.86Å; D115-N119 PolarHBondContact OD2-ND2 2.88Å; N119-V121 PolarHBondContact O-N 2.7Å
120	K	83.8	Confident	88.2	Confident	158 Å²	158	67 Å²	67	69%	0.687	34%	0.342	S	S	*	.	B	Isolated β-bridge	trans	-69.1	119.9	173.8	-62.9	-179.4	-178.2	-180	0	110.1	V114	V114-K120 HydrophobicContact CG1-CG 4.39Å
121	V	85.1	Confident	88.3	Confident	44 Å²	44	62.6 Å²	62.6	27%	0.267	33%	0.326	S	S	.	.	S	Bend	trans	-90	-38.6	177.8	176	0	0	0	0	110.5	Q61 I67 A113 D115 N119	Q61-V121 HydrophobicContact CB-CG1 3.82Å; Q61-V121 HydrophobicContact CG-CG1 3.9Å; I67-V121 HydrophobicContact CD1-CB 4.49Å; I67-V121 HydrophobicContact CD1-CG1 3.92Å; I67-V121 HydrophobicContact CG1-CG1 4.47Å; I67-V121 HydrophobicContact CG1-CG2 4.4Å; A113-V121 PolarHBondContact O-N 2.8Å; D115-V121 HydrophobicContact CB-CG2 3.81Å; N119-V121 PolarHBondContact O-N 2.7Å
122	E	86.1	Confident	88.4	Confident	76 Å²	76	66 Å²	66	36%	0.355	34%	0.343	S	S	.	.	S	Bend	trans	-115.9	159.7	173.1	-60.6	-69.3	-179	0	0	110.7	S59 A113	S59-E122 VanDerWaalsContact CB-OE1 3.3Å; S59-E122 WeakPolarHBondContact CB-OE1 3.36Å; S59-E122 PolarHBondContact OG-OE1 2.75Å; A113-E122 HydrophobicContact CB-CB 4.13Å; A113-E122 HydrophobicContact CB-CG 4.01Å; A113-E122 PolarHBondContact O-N 2.71Å
123	N	86.6	Confident	88.5	Confident	146 Å²	146	64.9 Å²	64.9	78%	0.781	34%	0.338	S	S	*	.			trans	-67.5	142.4	161.2	-73.4	-45.4	0	0	0	109.5	I125	N123-I125 PolarHBondContact O-N 3.28Å
124	P	89.2	Confident	88.6	Confident	46 Å²	46	68.9 Å²	68.9	30%	0.299	36%	0.357	S	S	.	.			trans	-58.7	137.6	174.9	-23.5	34.5	0	0	0	111.4	R110 A111 H112	R110-P124 HydrophobicContact CG-CB 3.67Å; A111-P124 CarbonylContact O-C 3.53Å; A111-P124 VanDerWaalsContact O-CA 3.28Å; A111-P124 WeakPolarHBondContact O-CA 3.47Å; H112-P124 WeakPolarHBondContact ND1-CG 3.49Å
125	I	88.9	Confident	88.8	Confident	64 Å²	64	69 Å²	69	33%	0.328	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.9	-175.9	-166.8	157	0	0	0	111.2	I37 R110 A111 N123	I37-I125 HydrophobicContact CD1-CD1 3.7Å; I37-I125 HydrophobicContact CD1-CG1 3.91Å; I37-I125 HydrophobicContact CD1-CG2 3.8Å; I37-I125 HydrophobicContact CG1-CD1 3.8Å; I37-I125 HydrophobicContact CG1-CG1 4.3Å; R110-I125 CarbonylContact C-O 3.59Å; R110-I125 WeakPolarHBondContact CA-O 3.45Å; A111-I125 HydrophobicContact CB-CG2 4.07Å; A111-I125 PolarHBondContact N-O 2.92Å; A111-I125 PolarHBondContact O-N 2.87Å; N123-I125 PolarHBondContact O-N 3.28Å
126	D	90.7	Very high	89.1	Confident	48 Å²	48	71.8 Å²	71.8	26%	0.257	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	139.9	-179	-67.8	-54.9	0	0	0	111.6	H108 R110 Y128	H108-D126 IonicContact CD2-OD1 3.04Å; H108-D126 IonicContact CE1-OD1 2.76Å; H108-D126 VanDerWaalsContact NE2-CG 3.31Å; H108-D126 IonicContact NE2-OD1 3.16Å; H108-D126 PolarHBondContact NE2-OD1 3.42Å; R110-D126 IonicContact CZ-OD1 2.93Å; R110-D126 IonicContact NE-OD1 2.85Å; R110-D126 PolarHBondContact NE-OD1 2.8Å; R110-D126 IonicContact NE-OD2 3.76Å; R110-D126 IonicContact NH2-OD1 3.09Å; R110-D126 PolarHBondContact NH2-OD1 2.84Å; R110-D126 IonicContact NH2-OD2 3.45Å; R110-D126 PolarHBondContact NH2-OD2 2.93Å; R110-D126 VanDerWaalsContact NH2-OD2 3.13Å; D126-Y128 HydrophobicContact CB-CE2 4.35Å
127	L	91.1	Very high	89.8	Confident	2 Å²	2	68 Å²	68	1%	0.01	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.7	178.3	-58.6	175.5	0	0	0	108.3	I37 I57 I71 M93 L109 A111	I37-L127 HydrophobicContact CB-CD2 4.45Å; I37-L127 HydrophobicContact CD1-CD2 3.72Å; I37-L127 HydrophobicContact CG2-CD2 4.03Å; I57-L127 HydrophobicContact CD1-CD1 3.59Å; I57-L127 HydrophobicContact CD1-CD2 3.88Å; I57-L127 HydrophobicContact CD1-CG 4.33Å; I71-L127 HydrophobicContact CG2-CD1 4.29Å; M93-L127 HydrophobicContact CE-CD1 4.38Å; M93-L127 HydrophobicContact SD-CD1 4.06Å; L109-L127 HydrophobicContact CB-CB 4.28Å; L109-L127 HydrophobicContact CB-CD1 4.43Å; L109-L127 PolarHBondContact N-O 3.26Å; L109-L127 PolarHBondContact O-N 2.86Å; A111-L127 HydrophobicContact CB-CD1 4.04Å; A111-L127 HydrophobicContact CB-CG 4.42Å
128	Y	92.7	Very high	90.4	Very high	96 Å²	96	67.8 Å²	67.8	38%	0.376	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.7	170.9	-64.7	-74.5	0	0	0	109	P39 I40 H108 D126	P39-Y128 WeakPolarHBondContact CA-O 3.38Å; I40-Y128 PolarHBondContact N-O 2.78Å; H108-Y128 HydrophobicContact CB-CD1 4.3Å; H108-Y128 HydrophobicContact CB-CE1 4.13Å; H108-Y128 AromaticContact CD2-CE1 3.9Å; H108-Y128 AromaticContact CG-CE1 3.67Å; H108-Y128 AromaticContact ND1-CE1 3.81Å; D126-Y128 HydrophobicContact CB-CE2 4.35Å
129	I	93.7	Very high	91.3	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.1	174	-42.7	177.3	0	0	0	107	I40 V42 Y84 M93 S106 F107 L109	I40-I129 HydrophobicContact CB-CG1 4.43Å; I40-I129 HydrophobicContact CB-CG2 4.28Å; I40-I129 HydrophobicContact CD1-CG1 4.49Å; I40-I129 HydrophobicContact CG2-CG2 4.44Å; I40-I129 CarbonylContact O-C 3.59Å; I40-I129 VanDerWaalsContact O-CA 3.25Å; I40-I129 WeakPolarHBondContact O-CA 3.34Å; I40-I129 VanDerWaalsContact O-CG2 3.31Å; I40-I129 WeakPolarHBondContact O-CG2 3.42Å; V42-I129 HydrophobicContact CG2-CG2 3.9Å; Y84-I129 HydrophobicContact CD1-CD1 3.78Å; Y84-I129 HydrophobicContact CD2-CD1 4.08Å; Y84-I129 HydrophobicContact CE1-CD1 3.53Å; Y84-I129 HydrophobicContact CE1-CG2 4.23Å; Y84-I129 HydrophobicContact CE2-CD1 3.87Å; Y84-I129 HydrophobicContact CG-CD1 4.03Å; M93-I129 HydrophobicContact CE-CD1 3.65Å; S106-I129 VanDerWaalsContact CA-O 3.31Å; S106-I129 WeakPolarHBondContact CA-O 3.49Å; S106-I129 WeakPolarHBondContact CB-O 3.04Å; F107-I129 HydrophobicContact CB-CB 4.23Å; F107-I129 HydrophobicContact CB-CD1 4.37Å; F107-I129 PolarHBondContact N-O 3.41Å; F107-I129 PolarHBondContact O-N 3.01Å; L109-I129 HydrophobicContact CD1-CD1 3.92Å; L109-I129 HydrophobicContact CG-CD1 4.39Å
130	Y	94	Very high	91.8	Very high	108 Å²	108	63.9 Å²	63.9	42%	0.424	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.6	173	-63.5	-66.3	0	0	0	108.7	P39 I40 N41 V42	P39-Y130 HydrophobicContact CB-CD2 3.68Å; P39-Y130 HydrophobicContact CB-CE2 3.59Å; P39-Y130 HydrophobicContact CG-CD2 4.37Å; P39-Y130 HydrophobicContact CG-CE2 4.18Å; I40-Y130 PolarHBondContact O-N 3.47Å; N41-Y130 WeakPolarHBondContact CA-O 3.35Å; V42-Y130 PolarHBondContact N-O 3.11Å
131	V	94.3	Very high	92.5	Very high	12 Å²	12	57 Å²	57	7%	0.073	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130.9	168.5	-170.2	0	0	0	0	107	V42 E44 L99 R101 R104 A105 F107	V42-V131 CarbonylContact O-C 3.49Å; V42-V131 VanDerWaalsContact O-CA 3.29Å; V42-V131 WeakPolarHBondContact O-CA 3.45Å; E44-V131 HydrophobicContact CB-CG1 3.66Å; L99-V131 HydrophobicContact CB-CG1 4.15Å; L99-V131 HydrophobicContact CB-CG2 4.35Å; L99-V131 HydrophobicContact CD1-CG2 4.12Å; R101-V131 HydrophobicContact CB-CB 4.13Å; R101-V131 HydrophobicContact CB-CG1 3.76Å; R101-V131 HydrophobicContact CG-CB 4.09Å; R101-V131 HydrophobicContact CG-CG1 4.2Å; R104-V131 WeakPolarHBondContact O-CG2 3.39Å; A105-V131 PolarHBondContact O-N 2.76Å; F107-V131 HydrophobicContact CD2-CG2 4.39Å; F107-V131 HydrophobicContact CE2-CG2 4Å
132	I	93.9	Very high	93	Very high	76 Å²	76	60.7 Å²	60.7	39%	0.39	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.9	176	-45.7	171.7	0	0	0	107.9	N41 V42 P43 E44	N41-I132 HydrophobicContact CB-CD1 3.8Å; N41-I132 HydrophobicContact CB-CG1 3.84Å; V42-I132 PolarHBondContact O-N 3.31Å; P43-I132 HydrophobicContact CB-CB 4.43Å; E44-I132 PolarHBondContact N-O 2.79Å
133	D	94.3	Very high	93.5	Very high	17 Å²	17	61.3 Å²	61.3	9%	0.091	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-51.2	132.9	174.3	-158.5	84.4	0	0	0	113.5	E44 R101 D170 N175	E44-D133 WeakPolarHBondContact OE1-CA 2.95Å; R101-D133 WeakPolarHBondContact CD-OD1 3.46Å; R101-D133 IonicContact CZ-OD1 3.23Å; R101-D133 IonicContact NE-OD1 3.17Å; R101-D133 PolarHBondContact NE-OD1 2.92Å; R101-D133 IonicContact NH1-OD1 2.83Å; R101-D133 PolarHBondContact NH1-OD1 2.98Å; D133-D170 HydrophobicContact CB-CB 3.94Å; D133-D170 VanDerWaalsContact CG-N 3.28Å; D133-D170 WeakPolarHBondContact OD1-CA 3.45Å; D133-D170 WeakPolarHBondContact OD1-CB 3.32Å; D133-D170 PolarHBondContact OD1-N 3.32Å; D133-D170 PolarHBondContact OD2-N 3.08Å; D133-N175 PolarHBondContact O-ND2 2.69Å; D133-N175 VanDerWaalsContact OD2-CB 3.27Å; D133-N175 WeakPolarHBondContact OD2-CB 3.28Å; D133-N175 PolarHBondContact OD2-ND2 2.87Å
134	M	93.7	Very high	93.9	Very high	92 Å²	92	59.5 Å²	59.5	45%	0.453	28%	0.284	S	S	.	.			trans	-133.3	139.3	176.7	-68.3	-70.6	-55.1	0	0	109.8	P43 E44 D136	P43-M134 HydrophobicContact CB-SD 4.46Å; E44-M134 HydrophobicContact CG-CB 3.72Å; E44-M134 HydrophobicContact CG-CG 3.74Å; E44-M134 PolarHBondContact OE1-N 3.47Å; M134-D136 PolarHBondContact O-N 2.79Å
135	N	94.2	Very high	94.2	Very high	34 Å²	34	60.9 Å²	60.9	18%	0.182	29%	0.292	C	S	.	.	S	Bend	trans	-74.9	84.9	-178.4	-157.3	141.8	0	0	0	112	N137 D169 N175 D227 M228	N135-N137 PolarHBondContact ND2-O 3.43Å; N135-D169 VanDerWaalsContact CA-OD2 3.29Å; N135-D169 WeakPolarHBondContact CA-OD2 3.41Å; N135-N175 HydrophobicContact CB-CB 4.09Å; N135-N175 PolarHBondContact N-ND2 3.43Å; N135-D227 PolarHBondContact ND2-OD2 2.84Å; N135-D227 PolarHBondContact OD1-OD1 3.03Å; N135-M228 HydrophobicContact CB-CE 3.78Å; N135-M228 WeakPolarHBondContact OD1-CE 3.31Å; N135-M228 WeakPolarHBondContact OD1-CG 3.11Å
136	D	93.3	Very high	94.6	Very high	79 Å²	79	58.9 Å²	58.9	42%	0.422	28%	0.28	S	S	.	.			trans	-122.7	-13.2	171.6	79.7	-61.1	0	0	0	115.3	N45 M134	N45-D136 PolarHBondContact ND2-OD1 2.78Å; N45-D136 VanDerWaalsContact ND2-OD1 3.11Å; N45-D136 PolarHBondContact ND2-OD2 3.23Å; M134-D136 PolarHBondContact O-N 2.79Å
137	N	94.3	Very high	95	Very high	46 Å²	46	62.8 Å²	62.8	25%	0.246	30%	0.301	C	S	.	.	S	Bend	trans	-80.3	170.2	157.9	-57.3	-84.8	0	0	0	110.6	E102 N135 D167 D169 L236	E102-N137 VanDerWaalsContact CD-ND2 3.26Å; E102-N137 PolarHBondContact OE2-ND2 2.82Å; N135-N137 PolarHBondContact ND2-O 3.43Å; N137-D167 WeakPolarHBondContact CB-OD1 3.33Å; N137-D169 VanDerWaalsContact CB-OD1 3.25Å; N137-D169 WeakPolarHBondContact CB-OD1 3.46Å; N137-D169 PolarHBondContact ND2-OD1 3.01Å; N137-L236 WeakPolarHBondContact O-CD1 3.32Å
138	R	95.3	Very high	95.2	Very high	129 Å²	129	63.5 Å²	63.5	49%	0.487	31%	0.309	S	S	.	.			trans	-134.6	161.7	176.8	70.2	173	179.2	-103.1	-11.1	109.1	E140 D167 L236	R138-E140 IonicContact CZ-OE1 3.07Å; R138-E140 IonicContact NE-OE1 2.8Å; R138-E140 PolarHBondContact NE-OE1 3.31Å; R138-E140 IonicContact NH2-OE1 2.68Å; R138-E140 PolarHBondContact NH2-OE1 2.84Å; R138-E140 PolarHBondContact O-N 3.26Å; R138-D167 WeakPolarHBondContact CA-OD2 3.23Å; R138-L236 HydrophobicContact CB-CB 3.61Å; R138-L236 HydrophobicContact CB-CD1 4.32Å
139	P	96.8	Very high	95.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.313	C	S	.	.			trans	-65.6	129	178.1	-22.4	33	0	0	0	110.9	A165 D167 V178 A225 D227 N238	P139-A165 HydrophobicContact CB-CB 4.19Å; P139-D167 WeakPolarHBondContact CA-OD2 3.29Å; P139-D167 WeakPolarHBondContact CD-OD2 3.04Å; P139-D167 WeakPolarHBondContact CG-OD2 3.21Å; P139-V178 HydrophobicContact CB-CG1 4.03Å; P139-V178 HydrophobicContact CB-CG2 4.01Å; P139-V178 HydrophobicContact CG-CG1 4.13Å; P139-V178 HydrophobicContact CG-CG2 3.98Å; P139-A225 HydrophobicContact CB-CB 3.82Å; P139-A225 HydrophobicContact CG-CB 4.47Å; P139-D227 HydrophobicContact CG-CB 4.04Å; P139-N238 WeakPolarHBondContact O-CB 3.43Å; P139-N238 PolarHBondContact O-ND2 2.72Å
140	E	96.8	Very high	95.5	Very high	68 Å²	68	62.5 Å²	62.5	32%	0.318	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131	171	-74.4	-64.6	159.5	0	0	110.3	R138 A165 T166 N238	R138-E140 IonicContact CZ-OE1 3.07Å; R138-E140 IonicContact NE-OE1 2.8Å; R138-E140 PolarHBondContact NE-OE1 3.31Å; R138-E140 IonicContact NH2-OE1 2.68Å; R138-E140 PolarHBondContact NH2-OE1 2.84Å; R138-E140 PolarHBondContact O-N 3.26Å; E140-A165 CarbonylContact O-C 3.51Å; E140-A165 VanDerWaalsContact O-CA 3.23Å; E140-A165 WeakPolarHBondContact O-CA 3.45Å; E140-T166 PolarHBondContact N-O 2.75Å; E140-T166 PolarHBondContact O-N 3.47Å; E140-N238 PolarHBondContact OE1-ND2 2.93Å; E140-N238 PolarHBondContact OE2-ND2 2.87Å
141	F	97.4	Very high	95.5	Very high	13 Å²	13	58.8 Å²	58.8	6%	0.057	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	140.2	176.2	-78.4	-87.3	0	0	0	110.9	N143 Y146 V163 T164 A165 Y180 V223 A225 A240	F141-N143 WeakPolarHBondContact CB-O 3.3Å; F141-N143 PolarHBondContact O-N 3.02Å; F141-Y146 HydrophobicContact CB-CE2 4.39Å; F141-Y146 AromaticContact CD1-CE2 3.89Å; F141-Y146 HydrophobicContact CD1-CE2 3.89Å; F141-Y146 HydrophobicContact CG-CE2 4.49Å; F141-V163 HydrophobicContact CE1-CB 4.47Å; F141-V163 HydrophobicContact CE1-CG2 4.24Å; F141-T164 WeakPolarHBondContact CA-O 3.22Å; F141-T164 WeakPolarHBondContact CD1-O 3.45Å; F141-A165 HydrophobicContact CD1-CB 3.86Å; F141-A165 HydrophobicContact CD2-CB 4.32Å; F141-A165 HydrophobicContact CE1-CB 4.08Å; F141-A165 HydrophobicContact CG-CB 3.99Å; F141-A165 HydrophobicContact CZ-CB 4.42Å; F141-Y180 HydrophobicContact CE1-CD1 4.24Å; F141-Y180 HydrophobicContact CE1-CE1 4.06Å; F141-Y180 HydrophobicContact CZ-CD1 4.43Å; F141-V223 HydrophobicContact CE1-CG1 4.45Å; F141-V223 HydrophobicContact CZ-CB 4.46Å; F141-V223 HydrophobicContact CZ-CG1 4.13Å; F141-A225 HydrophobicContact CD2-CB 4.41Å; F141-A225 HydrophobicContact CE1-CB 4.3Å; F141-A225 HydrophobicContact CE2-CB 3.59Å; F141-A225 HydrophobicContact CZ-CB 3.53Å; F141-A240 HydrophobicContact CB-CB 3.95Å; F141-A240 HydrophobicContact CD1-CB 3.8Å; F141-A240 HydrophobicContact CD2-CB 3.59Å; F141-A240 HydrophobicContact CE1-CB 4.12Å; F141-A240 HydrophobicContact CE2-CB 3.93Å; F141-A240 HydrophobicContact CG-CB 3.51Å; F141-A240 HydrophobicContact CZ-CB 4.17Å
142	Q	95.8	Very high	95.5	Very high	122 Å²	122	58.5 Å²	58.5	57%	0.57	31%	0.305	S	S	*	.	S	Bend	trans	-58.1	-36.6	176.6	-64.6	-178.6	-12	0	0	112.5	Y146 T164	Q142-Y146 PolarHBondContact N-OH 2.88Å; Q142-T164 HydrophobicContact CG-CG2 4.34Å; Q142-T164 PolarHBondContact N-O 2.79Å
143	N	95.6	Very high	95.2	Very high	88 Å²	88	57.8 Å²	57.8	47%	0.471	32%	0.317	S	S	.	.			trans	-129	144.9	172.1	-61.2	-71.3	0	0	0	110.5	F141 V145 Y146	F141-N143 WeakPolarHBondContact CB-O 3.3Å; F141-N143 PolarHBondContact O-N 3.02Å; N143-V145 VanDerWaalsContact C-N 3.34Å; N143-V145 WeakPolarHBondContact CB-O 3.41Å; N143-Y146 HydrophobicContact CB-CD1 4.45Å; N143-Y146 HydrophobicContact CB-CD2 4.5Å; N143-Y146 HydrophobicContact CB-CE1 4.09Å; N143-Y146 HydrophobicContact CB-CE2 4.16Å; N143-Y146 PolarHBondContact N-OH 2.72Å; N143-Y146 WeakPolarHBondContact O-CE2 3.19Å
144	Q	95.2	Very high	95.2	Very high	108 Å²	108	58 Å²	58	51%	0.505	32%	0.319	S	S	.	.	S	Bend	trans	-76.8	-23.5	172.6	-72.2	-69.6	-39.3	0	0	112.7	T241	Q144-T241 PolarHBondContact O-N 2.86Å
145	V	97.2	Very high	95.1	Very high	76 Å²	76	61.5 Å²	61.5	46%	0.461	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128.6	173.9	-175.3	0	0	0	0	109.2	N143 T241 L243	N143-V145 VanDerWaalsContact C-N 3.34Å; N143-V145 WeakPolarHBondContact CB-O 3.41Å; V145-T241 CarbonylContact C-O 3.59Å; V145-T241 VanDerWaalsContact CA-O 3.29Å; V145-T241 WeakPolarHBondContact CA-O 3.42Å; V145-L243 HydrophobicContact CG1-CD1 3.8Å; V145-L243 HydrophobicContact CG1-CG 4.07Å
146	Y	97.3	Very high	95.1	Very high	21 Å²	21	63.5 Å²	63.5	8%	0.082	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131	171.8	-67.5	-92.2	0	0	0	109.3	F141 Q142 N143 V163 T164 A240 T241 A242 L243	F141-Y146 HydrophobicContact CB-CE2 4.39Å; F141-Y146 AromaticContact CD1-CE2 3.89Å; F141-Y146 HydrophobicContact CD1-CE2 3.89Å; F141-Y146 HydrophobicContact CG-CE2 4.49Å; Q142-Y146 PolarHBondContact N-OH 2.88Å; N143-Y146 HydrophobicContact CB-CD1 4.45Å; N143-Y146 HydrophobicContact CB-CD2 4.5Å; N143-Y146 HydrophobicContact CB-CE1 4.09Å; N143-Y146 HydrophobicContact CB-CE2 4.16Å; N143-Y146 PolarHBondContact N-OH 2.72Å; N143-Y146 WeakPolarHBondContact O-CE2 3.19Å; Y146-V163 HydrophobicContact CD1-CB 4.35Å; Y146-V163 HydrophobicContact CD1-CG1 3.92Å; Y146-V163 HydrophobicContact CD2-CB 4.05Å; Y146-V163 HydrophobicContact CD2-CG1 3.67Å; Y146-V163 HydrophobicContact CE1-CB 4.29Å; Y146-V163 HydrophobicContact CE1-CG1 4.36Å; Y146-V163 HydrophobicContact CE2-CB 3.97Å; Y146-V163 HydrophobicContact CE2-CG1 4.13Å; Y146-V163 HydrophobicContact CG-CB 4.24Å; Y146-V163 HydrophobicContact CG-CG1 3.56Å; Y146-T164 PolarHBondContact OH-N 2.84Å; Y146-T164 PolarHBondContact OH-O 2.79Å; Y146-A240 HydrophobicContact CD2-CB 4.27Å; Y146-A240 HydrophobicContact CE2-CB 4.01Å; Y146-T241 PolarHBondContact N-O 2.86Å; Y146-A242 CarbonylContact O-C 3.52Å; Y146-A242 WeakPolarHBondContact O-CA 3.37Å; Y146-L243 PolarHBondContact O-N 3.17Å
147	N	97.3	Very high	95.1	Very high	130 Å²	130	62.4 Å²	62.4	70%	0.695	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.7	173.3	-65.4	-21.8	0	0	0	108.9
148	G	95.6	Very high	95.2	Very high	18 Å²	18	62.1 Å²	62.1	19%	0.186	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	178.3	171.4	0	0	0	0	0	111.2	L243 I244 S245	G148-L243 PolarHBondContact N-O 3.34Å; G148-I244 WeakPolarHBondContact O-CA 3.18Å; G148-S245 PolarHBondContact O-N 2.8Å
149	S	96.6	Very high	95.1	Very high	66 Å²	66	59.9 Å²	59.9	46%	0.462	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157.8	-176.8	58.5	0	0	0	0	112.5	S245	S149-S245 WeakPolarHBondContact CA-O 3.3Å; S149-S245 VanDerWaalsContact CB-O 3.27Å; S149-S245 WeakPolarHBondContact CB-O 3.36Å
150	V	96.4	Very high	95.1	Very high	10 Å²	10	60.7 Å²	60.7	6%	0.061	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	140.5	176.3	60	0	0	0	0	108.6	S154 V160 F195 T206 L211 I244 S245 I246 T247	V150-S154 WeakPolarHBondContact CG2-OG 3.36Å; V150-V160 HydrophobicContact CB-CG1 4.09Å; V150-V160 HydrophobicContact CB-CG2 4Å; V150-V160 HydrophobicContact CG1-CG1 4.23Å; V150-V160 HydrophobicContact CG1-CG2 4.28Å; V150-V160 HydrophobicContact CG2-CG2 4.19Å; V150-F195 HydrophobicContact CG1-CE1 4.22Å; V150-T206 HydrophobicContact CG2-CG2 4.12Å; V150-L211 HydrophobicContact CG1-CD1 3.77Å; V150-L211 HydrophobicContact CG2-CD1 4.19Å; V150-I244 HydrophobicContact CG1-CG2 3.76Å; V150-S245 PolarHBondContact N-O 3.35Å; V150-I246 HydrophobicContact CG1-CD1 3.63Å; V150-I246 WeakPolarHBondContact O-CA 3.16Å; V150-T247 PolarHBondContact O-N 2.79Å
151	A	94.3	Very high	95.1	Very high	30 Å²	30	58.5 Å²	58.5	25%	0.248	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	146.1	176.6	0	0	0	0	0	111.1	S154 T247 I249	A151-S154 WeakPolarHBondContact O-CB 3.17Å; A151-S154 PolarHBondContact O-N 3.22Å; A151-S154 PolarHBondContact O-OG 3.03Å; A151-T247 WeakPolarHBondContact CA-O 3.22Å; A151-T247 WeakPolarHBondContact CA-OG1 3.32Å; A151-T247 WeakPolarHBondContact CB-OG1 3.28Å; A151-T247 PolarHBondContact N-OG1 2.78Å; A151-I249 HydrophobicContact CB-CD1 3.93Å; A151-I249 HydrophobicContact CB-CG1 4.22Å
152	E	94.5	Very high	95.1	Very high	6 Å²	6	63.1 Å²	63.1	3%	0.028	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	167.7	170.8	68.5	-158.9	127.6	0	0	112.6	S154 L211 R213 I246 T247 D248 I249	E152-S154 PolarHBondContact O-N 2.8Å; E152-L211 WeakPolarHBondContact CB-O 3.3Å; E152-R213 WeakPolarHBondContact OE2-CB 3.31Å; E152-R213 PolarHBondContact OE2-N 3.05Å; E152-I246 HydrophobicContact CB-CG2 3.74Å; E152-T247 PolarHBondContact N-O 3.38Å; E152-D248 VanDerWaalsContact OE1-CA 3.23Å; E152-D248 WeakPolarHBondContact OE1-CA 3.23Å; E152-I249 HydrophobicContact CG-CB 3.93Å; E152-I249 HydrophobicContact CG-CD1 4.46Å; E152-I249 HydrophobicContact CG-CG1 4.13Å; E152-I249 VanDerWaalsContact O-CD1 3.26Å; E152-I249 WeakPolarHBondContact O-CD1 3.38Å; E152-I249 PolarHBondContact OE1-N 3.39Å
153	G	88.4	Confident	95.1	Very high	61 Å²	61	57.3 Å²	57.3	63%	0.629	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	-0.6	-170.4	0	0	0	0	0	115	K155 L211	G153-K155 PolarHBondContact O-N 2.89Å; G153-L211 PolarHBondContact N-O 3.18Å
154	S	92.5	Very high	95.2	Very high	21 Å²	21	55 Å²	55	15%	0.147	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-52.9	134.3	179	-85.1	0	0	0	0	111.8	V150 A151 E152	V150-S154 WeakPolarHBondContact CG2-OG 3.36Å; A151-S154 WeakPolarHBondContact O-CB 3.17Å; A151-S154 PolarHBondContact O-N 3.22Å; A151-S154 PolarHBondContact O-OG 3.03Å; E152-S154 PolarHBondContact O-N 2.8Å
155	K	92.7	Very high	95.2	Very high	165 Å²	165	50.1 Å²	50.1	72%	0.717	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-68.6	151.7	178.6	-64.1	173.3	-175.1	171	0	109.8	G153 G157 S158 T206	G153-K155 PolarHBondContact O-N 2.89Å; K155-G157 PolarHBondContact O-N 2.95Å; K155-S158 PolarHBondContact O-N 3.16Å; K155-S158 PolarHBondContact O-OG 2.65Å; K155-T206 PolarHBondContact O-OG1 2.99Å
156	P	94.1	Very high	95.1	Very high	77 Å²	77	50.4 Å²	50.4	50%	0.5	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	136.9	166.1	-27.8	36.4	0	0	0	111.6
157	G	93.6	Very high	95.1	Very high	56 Å²	56	50.7 Å²	50.7	58%	0.577	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	2.9	-175.5	0	0	0	0	0	115.2	K155 S159 T206	K155-G157 PolarHBondContact O-N 2.95Å; G157-S159 PolarHBondContact O-N 2.79Å; G157-T206 PolarHBondContact N-O 2.94Å; G157-T206 PolarHBondContact N-OG1 3.17Å
158	S	95.2	Very high	95	Very high	39 Å²	39	47.9 Å²	47.9	27%	0.273	31%	0.312	S	S	.	.			trans	-65	130.8	168.4	-73.6	0	0	0	0	110.4	K155 V205 T206	K155-S158 PolarHBondContact O-N 3.16Å; K155-S158 PolarHBondContact O-OG 2.65Å; S158-V205 CarbonylContact O-C 3.55Å; S158-V205 VanDerWaalsContact O-CA 3.23Å; S158-V205 WeakPolarHBondContact O-CA 3.42Å; S158-V205 WeakPolarHBondContact O-CB 3.37Å; S158-T206 PolarHBondContact N-OG1 2.88Å; S158-T206 PolarHBondContact O-N 3.14Å
159	S	95	Very high	94.9	Very high	83 Å²	83	47.3 Å²	47.3	58%	0.58	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	144.9	170.6	-171.8	0	0	0	0	111.1	G157	G157-S159 PolarHBondContact O-N 2.79Å
160	V	96.5	Very high	94.8	Very high	16 Å²	16	46.4 Å²	46.4	10%	0.097	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	-52.7	-176.3	-175.4	0	0	0	0	111.4	V150 F195 I204 T206 I244	V150-V160 HydrophobicContact CB-CG1 4.09Å; V150-V160 HydrophobicContact CB-CG2 4Å; V150-V160 HydrophobicContact CG1-CG1 4.23Å; V150-V160 HydrophobicContact CG1-CG2 4.28Å; V150-V160 HydrophobicContact CG2-CG2 4.19Å; V160-F195 HydrophobicContact CG2-CD1 4.07Å; V160-F195 HydrophobicContact CG2-CE1 3.99Å; V160-I204 HydrophobicContact CB-CG2 4.49Å; V160-I204 WeakPolarHBondContact CB-O 3.42Å; V160-I204 PolarHBondContact N-O 3.27Å; V160-T206 HydrophobicContact CG2-CG2 4.03Å; V160-I244 HydrophobicContact CG1-CB 4.46Å; V160-I244 HydrophobicContact CG1-CD1 3.97Å; V160-I244 HydrophobicContact CG1-CG1 3.9Å; V160-I244 HydrophobicContact CG1-CG2 3.76Å
161	M	96	Very high	94.4	Very high	23 Å²	23	50 Å²	50	11%	0.113	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	168.8	174.1	71.4	176.6	90.6	0	0	110.2	V163 I204 A242 I244	M161-V163 HydrophobicContact CG-CG1 4.27Å; M161-V163 HydrophobicContact SD-CG1 3.92Å; M161-I204 HydrophobicContact CG-CB 4.24Å; M161-I204 HydrophobicContact CG-CD1 3.93Å; M161-I204 HydrophobicContact CG-CG1 4.32Å; M161-I204 PolarHBondContact O-N 3.45Å; M161-I204 HydrophobicContact SD-CD1 4.28Å; M161-A242 HydrophobicContact CE-CB 3.9Å; M161-A242 HydrophobicContact SD-CB 3.92Å; M161-I244 HydrophobicContact CE-CD1 4.33Å; M161-I244 HydrophobicContact CE-CG1 3.45Å; M161-I244 VanDerWaalsContact CE-CG1 3.45Å
162	Q	96.6	Very high	94.1	Very high	109 Å²	109	53.7 Å²	53.7	51%	0.509	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.3	166.4	-170.6	179.4	17.1	0	0	108.9	T201 D203	Q162-T201 WeakPolarHBondContact CG-O 3.27Å; Q162-T201 PolarHBondContact NE2-O 3.22Å; Q162-D203 WeakPolarHBondContact CG-OD1 3.41Å
163	V	96.9	Very high	94	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.006	35%	0.353	C	S	.	.			trans	-119	138.8	172.8	-58	0	0	0	0	110.5	F141 Y146 M161 I197 G202 I204 V223	F141-V163 HydrophobicContact CE1-CB 4.47Å; F141-V163 HydrophobicContact CE1-CG2 4.24Å; Y146-V163 HydrophobicContact CD1-CB 4.35Å; Y146-V163 HydrophobicContact CD1-CG1 3.92Å; Y146-V163 HydrophobicContact CD2-CB 4.05Å; Y146-V163 HydrophobicContact CD2-CG1 3.67Å; Y146-V163 HydrophobicContact CE1-CB 4.29Å; Y146-V163 HydrophobicContact CE1-CG1 4.36Å; Y146-V163 HydrophobicContact CE2-CB 3.97Å; Y146-V163 HydrophobicContact CE2-CG1 4.13Å; Y146-V163 HydrophobicContact CG-CB 4.24Å; Y146-V163 HydrophobicContact CG-CG1 3.56Å; M161-V163 HydrophobicContact CG-CG1 4.27Å; M161-V163 HydrophobicContact SD-CG1 3.92Å; V163-I197 HydrophobicContact CG2-CD1 3.62Å; V163-G202 PolarHBondContact N-O 2.78Å; V163-I204 HydrophobicContact CG1-CD1 4.04Å; V163-I204 HydrophobicContact CG2-CD1 4.46Å; V163-V223 HydrophobicContact CG2-CG1 4.03Å; V163-V223 HydrophobicContact CG2-CG2 4.46Å
164	T	96.5	Very high	94.1	Very high	38 Å²	38	54.5 Å²	54.5	23%	0.233	34%	0.337	C	S	.	.			trans	-125.7	128.3	-169.9	-50.9	0	0	0	0	111.5	F141 Q142 Y146	F141-T164 WeakPolarHBondContact CA-O 3.22Å; F141-T164 WeakPolarHBondContact CD1-O 3.45Å; Q142-T164 HydrophobicContact CG-CG2 4.34Å; Q142-T164 PolarHBondContact N-O 2.79Å; Y146-T164 PolarHBondContact OH-N 2.84Å; Y146-T164 PolarHBondContact OH-O 2.79Å
165	A	96.1	Very high	94.1	Very high	7 Å²	7	54.5 Å²	54.5	6%	0.058	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	150.3	165.2	0	0	0	0	0	110.1	P139 E140 F141 V178 Y180 A225	P139-A165 HydrophobicContact CB-CB 4.19Å; E140-A165 CarbonylContact O-C 3.51Å; E140-A165 VanDerWaalsContact O-CA 3.23Å; E140-A165 WeakPolarHBondContact O-CA 3.45Å; F141-A165 HydrophobicContact CD1-CB 3.86Å; F141-A165 HydrophobicContact CD2-CB 4.32Å; F141-A165 HydrophobicContact CE1-CB 4.08Å; F141-A165 HydrophobicContact CG-CB 3.99Å; F141-A165 HydrophobicContact CZ-CB 4.42Å; A165-V178 HydrophobicContact CB-CG1 4.35Å; A165-Y180 HydrophobicContact CB-CE1 3.93Å; A165-Y180 PolarHBondContact N-OH 2.73Å; A165-Y180 PolarHBondContact O-OH 3.12Å; A165-A225 HydrophobicContact CB-CB 3.59Å
166	T	95.1	Very high	94	Very high	81 Å²	81	47.2 Å²	47.2	50%	0.497	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.5	177.3	48.2	0	0	0	0	108.7	E140	E140-T166 PolarHBondContact N-O 2.75Å; E140-T166 PolarHBondContact O-N 3.47Å
167	D	96.4	Very high	94	Very high	28 Å²	28	46.6 Å²	46.6	15%	0.15	30%	0.299	C	S	.	.			trans	-95.3	159.5	164.6	-142.9	-62.2	0	0	0	110.5	N137 R138 P139 D169 V178	N137-D167 WeakPolarHBondContact CB-OD1 3.33Å; R138-D167 WeakPolarHBondContact CA-OD2 3.23Å; P139-D167 WeakPolarHBondContact CA-OD2 3.29Å; P139-D167 WeakPolarHBondContact CD-OD2 3.04Å; P139-D167 WeakPolarHBondContact CG-OD2 3.21Å; D167-D169 PolarHBondContact OD1-N 3.5Å; D167-V178 HydrophobicContact CB-CG2 4.05Å
168	S	95.4	Very high	94.1	Very high	70 Å²	70	45 Å²	45	49%	0.49	28%	0.278	S	S	.	.	S	Bend	trans	-88.2	-28.7	174	-61	0	0	0	0	111.9	R101	R101-S168 PolarHBondContact NH2-O 2.73Å
169	D	95.3	Very high	94.1	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.032	28%	0.277	C	S	.	.	S	Bend	trans	-62.6	174.1	-176.3	-64.7	-7.3	0	0	0	112.8	N135 N137 D167 S171 N175	N135-D169 VanDerWaalsContact CA-OD2 3.29Å; N135-D169 WeakPolarHBondContact CA-OD2 3.41Å; N137-D169 VanDerWaalsContact CB-OD1 3.25Å; N137-D169 WeakPolarHBondContact CB-OD1 3.46Å; N137-D169 PolarHBondContact ND2-OD1 3.01Å; D167-D169 PolarHBondContact OD1-N 3.5Å; D169-S171 PolarHBondContact O-N 2.91Å; D169-N175 HydrophobicContact CB-CB 3.78Å
170	D	92.6	Very high	94.2	Very high	47 Å²	47	43.4 Å²	43.4	25%	0.251	25%	0.253	S	S	.	.			trans	-68.2	99.8	-176.7	-168.7	-18.7	0	0	0	110.8	R101 D133 T172 T173 G176	R101-D170 VanDerWaalsContact NH1-CB 3.31Å; D133-D170 HydrophobicContact CB-CB 3.94Å; D133-D170 VanDerWaalsContact CG-N 3.28Å; D133-D170 WeakPolarHBondContact OD1-CA 3.45Å; D133-D170 WeakPolarHBondContact OD1-CB 3.32Å; D133-D170 PolarHBondContact OD1-N 3.32Å; D133-D170 PolarHBondContact OD2-N 3.08Å; D170-T172 VanDerWaalsContact CG-OG1 3.22Å; D170-T172 PolarHBondContact O-N 3.47Å; D170-T172 WeakPolarHBondContact OD1-CA 3.49Å; D170-T172 VanDerWaalsContact OD1-CB 3.29Å; D170-T172 WeakPolarHBondContact OD1-CB 2.96Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.09Å; D170-T172 PolarHBondContact OD1-N 2.84Å; D170-T172 PolarHBondContact OD1-OG1 3.37Å; D170-T172 PolarHBondContact OD2-OG1 2.94Å; D170-T173 HydrophobicContact CB-CG2 3.9Å; D170-T173 WeakPolarHBondContact O-CA 3.15Å; D170-T173 PolarHBondContact O-N 3.48Å; D170-T173 PolarHBondContact O-OG1 2.87Å; D170-G176 PolarHBondContact O-N 3.4Å
171	S	88.8	Confident	94.2	Very high	86 Å²	86	47.4 Å²	47.4	60%	0.601	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-14	171.8	62.7	0	0	0	0	115.8	D169 M177	D169-S171 PolarHBondContact O-N 2.91Å; S171-M177 WeakPolarHBondContact O-CE 3.21Å
172	T	89.1	Confident	94.2	Very high	108 Å²	108	48.6 Å²	48.6	66%	0.663	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-7.6	172	74.2	0	0	0	0	113.3	D170	D170-T172 VanDerWaalsContact CG-OG1 3.22Å; D170-T172 PolarHBondContact O-N 3.47Å; D170-T172 WeakPolarHBondContact OD1-CA 3.49Å; D170-T172 VanDerWaalsContact OD1-CB 3.29Å; D170-T172 WeakPolarHBondContact OD1-CB 2.96Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.09Å; D170-T172 PolarHBondContact OD1-N 2.84Å; D170-T172 PolarHBondContact OD1-OG1 3.37Å; D170-T172 PolarHBondContact OD2-OG1 2.94Å
173	T	90.7	Very high	94.1	Very high	46 Å²	46	47.2 Å²	47.2	28%	0.282	27%	0.268	S	S	.	.	S	Bend	trans	-114.1	172.9	176.4	81.3	0	0	0	0	111	D170 N175 M177	D170-T173 HydrophobicContact CB-CG2 3.9Å; D170-T173 WeakPolarHBondContact O-CA 3.15Å; D170-T173 PolarHBondContact O-N 3.48Å; D170-T173 PolarHBondContact O-OG1 2.87Å; T173-N175 PolarHBondContact O-N 3.24Å; T173-N175 PolarHBondContact OG1-N 3.12Å; T173-M177 WeakPolarHBondContact O-CG 3.43Å
174	A	91.6	Very high	94	Very high	37 Å²	37	49.6 Å²	49.6	31%	0.306	29%	0.285	S	S	.	.	S	Bend	trans	-60.5	-29	176.3	0	0	0	0	0	113.2	M177 M228	A174-M177 PolarHBondContact O-N 2.81Å; A174-M177 VanDerWaalsContact O-N 3.17Å; A174-M228 HydrophobicContact CB-SD 4.03Å; A174-M228 WeakPolarHBondContact O-CA 3.1Å; A174-M228 PolarHBondContact O-N 3.35Å
175	N	92.2	Very high	93.9	Very high	22 Å²	22	48.1 Å²	48.1	12%	0.118	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-52.5	-176.7	-52.5	-6.4	0	0	0	110.3	D133 N135 D169 T173 M177 D227 M228	D133-N175 PolarHBondContact O-ND2 2.69Å; D133-N175 VanDerWaalsContact OD2-CB 3.27Å; D133-N175 WeakPolarHBondContact OD2-CB 3.28Å; D133-N175 PolarHBondContact OD2-ND2 2.87Å; N135-N175 HydrophobicContact CB-CB 4.09Å; N135-N175 PolarHBondContact N-ND2 3.43Å; D169-N175 HydrophobicContact CB-CB 3.78Å; T173-N175 PolarHBondContact O-N 3.24Å; T173-N175 PolarHBondContact OG1-N 3.12Å; N175-M177 VanDerWaalsContact C-N 3.26Å; N175-M177 PolarHBondContact O-N 3.27Å; N175-D227 VanDerWaalsContact O-CB 3.29Å; N175-D227 WeakPolarHBondContact O-CB 3.3Å; N175-M228 WeakPolarHBondContact OD1-CE 3.41Å
176	G	90.5	Very high	93.9	Very high	11 Å²	11	51 Å²	51	11%	0.113	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	4.4	175.5	0	0	0	0	0	115.6	D170 V178	D170-G176 PolarHBondContact O-N 3.4Å; G176-V178 PolarHBondContact O-N 3.47Å
177	M	93.6	Very high	93.9	Very high	65 Å²	65	49.3 Å²	49.3	32%	0.32	28%	0.283	S	S	.	.			trans	-94	85.4	-175.9	-80.5	178.3	-164.5	0	0	112.8	S171 T173 A174 N175 D227 E229	S171-M177 WeakPolarHBondContact O-CE 3.21Å; T173-M177 WeakPolarHBondContact O-CG 3.43Å; A174-M177 PolarHBondContact O-N 2.81Å; A174-M177 VanDerWaalsContact O-N 3.17Å; N175-M177 VanDerWaalsContact C-N 3.26Å; N175-M177 PolarHBondContact O-N 3.27Å; M177-D227 CarbonylContact O-C 3.42Å; M177-E229 HydrophobicContact CB-CG 4.37Å; M177-E229 PolarHBondContact O-N 3.35Å; M177-E229 VanDerWaalsContact O-N 3.14Å
178	V	95.1	Very high	93.6	Very high	23 Å²	23	53.7 Å²	53.7	14%	0.139	30%	0.302	C	S	.	.			trans	-64.9	139.6	175.6	-170.2	0	0	0	0	112.3	P139 A165 D167 G176 Y180 A225 T226	P139-V178 HydrophobicContact CB-CG1 4.03Å; P139-V178 HydrophobicContact CB-CG2 4.01Å; P139-V178 HydrophobicContact CG-CG1 4.13Å; P139-V178 HydrophobicContact CG-CG2 3.98Å; A165-V178 HydrophobicContact CB-CG1 4.35Å; D167-V178 HydrophobicContact CB-CG2 4.05Å; G176-V178 PolarHBondContact O-N 3.47Å; V178-Y180 HydrophobicContact CG1-CE1 4.4Å; V178-A225 HydrophobicContact CG1-CB 3.75Å; V178-T226 CarbonylContact C-O 3.59Å; V178-T226 WeakPolarHBondContact CA-O 3.11Å
179	R	96	Very high	93.2	Very high	67 Å²	67	53 Å²	53	25%	0.253	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.8	164	-63.1	-64	-177.2	136.2	-17.2	112	S199 E200 A225 T226 E229	R179-S199 WeakPolarHBondContact CA-O 3.35Å; R179-S199 WeakPolarHBondContact CD-O 3.49Å; R179-S199 PolarHBondContact NH1-OG 3.35Å; R179-E200 VanDerWaalsContact CZ-CG 3.41Å; R179-E200 IonicContact CZ-OE1 3.91Å; R179-E200 IonicContact NH1-OE1 2.98Å; R179-E200 PolarHBondContact NH1-OE1 3.4Å; R179-E200 IonicContact NH2-OE1 3.98Å; R179-E200 PolarHBondContact NH2-OE1 2.84Å; R179-A225 WeakPolarHBondContact O-CA 3.12Å; R179-T226 PolarHBondContact N-O 2.91Å; R179-T226 PolarHBondContact O-N 2.76Å; R179-E229 WeakPolarHBondContact CG-O 3.02Å
180	Y	97.1	Very high	92.8	Very high	21 Å²	21	56.4 Å²	56.4	8%	0.082	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	146.3	-178.4	-55.3	-84.6	0	0	0	113.3	F141 A165 V178 I197 S199 Q224 A225	F141-Y180 HydrophobicContact CE1-CD1 4.24Å; F141-Y180 HydrophobicContact CE1-CE1 4.06Å; F141-Y180 HydrophobicContact CZ-CD1 4.43Å; A165-Y180 HydrophobicContact CB-CE1 3.93Å; A165-Y180 PolarHBondContact N-OH 2.73Å; A165-Y180 PolarHBondContact O-OH 3.12Å; V178-Y180 HydrophobicContact CG1-CE1 4.4Å; Y180-I197 HydrophobicContact CG-CD1 4.34Å; Y180-S199 PolarHBondContact N-O 3.31Å; Y180-S199 WeakPolarHBondContact O-CA 3.46Å; Y180-Q224 WeakPolarHBondContact CA-O 3.09Å; Y180-A225 HydrophobicContact CD1-CB 4.24Å; Y180-A225 HydrophobicContact CE1-CB 4.25Å
181	R	96.3	Very high	92.7	Very high	99 Å²	99	57.6 Å²	57.6	37%	0.374	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	152.7	168.3	66.5	-178.6	-170.5	149.1	-0.8	112.7	V223 Q224	R181-V223 WeakPolarHBondContact O-CA 3.39Å; R181-Q224 HydrophobicContact CG-CB 4.11Å; R181-Q224 PolarHBondContact N-O 2.85Å; R181-Q224 PolarHBondContact O-N 3.41Å
182	I	96.5	Very high	92.7	Very high	48 Å²	48	56.7 Å²	56.7	25%	0.246	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	133.5	168.2	-67.5	171.7	0	0	0	109	F195 I197 I221	I182-F195 HydrophobicContact CD1-CB 4.26Å; I182-I197 HydrophobicContact CD1-CB 4.37Å; I182-I197 HydrophobicContact CG1-CB 4.2Å; I182-I197 HydrophobicContact CG1-CG2 3.94Å; I182-I221 HydrophobicContact CB-CG2 4.31Å; I182-I221 HydrophobicContact CD1-CD1 4.46Å; I182-I221 HydrophobicContact CD1-CG2 4.02Å; I182-I221 HydrophobicContact CG1-CG2 3.8Å; I182-I221 HydrophobicContact CG2-CG2 3.68Å
183	L	94.9	Very high	92.8	Very high	80 Å²	80	56.8 Å²	56.8	42%	0.419	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-39.5	173.3	-71.3	-178.2	0	0	0	112.6	I222 Q224 T239	L183-I222 HydrophobicContact CB-CB 4.45Å; L183-I222 HydrophobicContact CB-CG2 4.39Å; L183-I222 HydrophobicContact CD1-CG2 4.24Å; L183-I222 PolarHBondContact N-O 3.39Å; L183-Q224 HydrophobicContact CD1-CB 3.86Å; L183-Q224 HydrophobicContact CD1-CG 4.44Å; L183-Q224 HydrophobicContact CD2-CB 4.34Å; L183-Q224 HydrophobicContact CG-CB 3.86Å; L183-T239 HydrophobicContact CD1-CG2 3.79Å
184	S	94.8	Very high	92.9	Very high	51 Å²	51	54.6 Å²	54.6	36%	0.357	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	156.3	-178.6	58.5	0	0	0	0	111.8	I221 I222	S184-I221 WeakPolarHBondContact O-CA 3.4Å; S184-I222 PolarHBondContact O-N 2.77Å; S184-I222 WeakPolarHBondContact OG-CG1 3.12Å
185	Q	94.7	Very high	93.1	Very high	7 Å²	7	53.2 Å²	53.2	3%	0.033	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	129.4	174.2	179.3	-159.5	-72.8	0	0	108	P187 H188 I191 P192 Y219 T220 I221	Q185-P187 PolarHBondContact NE2-O 2.65Å; Q185-H188 PolarHBondContact O-CD2 2.81Å; Q185-H188 VanDerWaalsContact O-CD2 3.31Å; Q185-H188 PolarHBondContact O-NE2 3.2Å; Q185-I191 PolarHBondContact NE2-O 3.17Å; Q185-I191 VanDerWaalsContact NE2-O 3.15Å; Q185-P192 PolarHBondContact NE2-O 3.1Å; Q185-P192 PolarHBondContact OE1-O 2.81Å; Q185-Y219 HydrophobicContact CG-CD1 3.93Å; Q185-T220 CarbonylContact C-O 3.58Å; Q185-T220 WeakPolarHBondContact CA-O 3.42Å; Q185-I221 HydrophobicContact CB-CG1 4.44Å; Q185-I221 HydrophobicContact CG-CG1 4.21Å
186	T	94.9	Very high	93.3	Very high	69 Å²	69	55.5 Å²	55.5	42%	0.423	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.8	171	48.5	0	0	0	0	110.3	Y219 T220	T186-Y219 CarbonylContact O-C 3.59Å; T186-Y219 WeakPolarHBondContact O-CA 3.21Å; T186-T220 PolarHBondContact N-O 2.74Å; T186-T220 PolarHBondContact O-N 3.45Å; T186-T220 PolarHBondContact OG1-O 3.32Å
187	P	94.9	Very high	93.6	Very high	44 Å²	44	55.8 Å²	55.8	29%	0.286	30%	0.301	S	S	.	.	S	Bend	cis	-73.3	167.4	-3.2	33.3	-37	0	0	0	113.4	Q185 S189 V216 Y219	Q185-P187 PolarHBondContact NE2-O 2.65Å; P187-S189 VanDerWaalsContact C-N 3.28Å; P187-V216 HydrophobicContact CG-CB 4.35Å; P187-V216 HydrophobicContact CG-CG1 3.45Å; P187-V216 VanDerWaalsContact CG-CG1 3.45Å; P187-V216 HydrophobicContact CG-CG2 3.86Å; P187-Y219 HydrophobicContact CG-CD1 4.27Å; P187-Y219 HydrophobicContact CG-CE1 4.14Å
188	H	90.9	Very high	93.8	Very high	120 Å²	120	55.9 Å²	55.9	56%	0.556	30%	0.303	S	S	*	.			trans	-88.1	10.4	175.5	-58.8	104.9	0	0	0	113.4	Q185 I191 P192	Q185-H188 PolarHBondContact O-CD2 2.81Å; Q185-H188 VanDerWaalsContact O-CD2 3.31Å; Q185-H188 PolarHBondContact O-NE2 3.2Å; H188-I191 CarbonylContact C-O 3.59Å; H188-I191 CarbonylContact O-C 2.99Å; H188-I191 WeakPolarHBondContact O-CA 3.21Å; H188-P192 HydrophobicContact CB-CB 4.21Å
189	S	87.8	Confident	93.8	Very high	57 Å²	57	57 Å²	57	40%	0.399	31%	0.312	S	S	.	.			trans	-107.4	142.2	179.5	51.3	0	0	0	0	110.2	P187 Y219	P187-S189 VanDerWaalsContact C-N 3.28Å; S189-Y219 WeakPolarHBondContact O-CE1 3.4Å; S189-Y219 PolarHBondContact O-OH 2.85Å; S189-Y219 VanDerWaalsContact O-OH 3.09Å
190	P	86.6	Confident	93.7	Very high	76 Å²	76	59.6 Å²	59.6	49%	0.494	33%	0.327	S	S	.	.	S	Bend	cis	-74.7	-23.5	1.2	31.9	-37.2	0	0	0	113.6	M194 G210 Y219	P190-M194 HydrophobicContact CG-CE 4Å; P190-M194 HydrophobicContact CG-SD 3.62Å; P190-G210 WeakPolarHBondContact CG-O 3.49Å; P190-Y219 WeakPolarHBondContact CD-OH 3.32Å
191	I	89.8	Confident	93.6	Very high	72 Å²	72	61.1 Å²	61.1	37%	0.369	34%	0.339	S	S	.	.			trans	-135.6	155.3	169.8	59.6	160.4	0	0	0	110.7	Q185 H188 N193 M194 A208	Q185-I191 PolarHBondContact NE2-O 3.17Å; Q185-I191 VanDerWaalsContact NE2-O 3.15Å; H188-I191 CarbonylContact C-O 3.59Å; H188-I191 CarbonylContact O-C 2.99Å; H188-I191 WeakPolarHBondContact O-CA 3.21Å; I191-N193 WeakPolarHBondContact CD1-O 3.03Å; I191-N193 PolarHBondContact O-N 3.39Å; I191-M194 HydrophobicContact CD1-SD 4.12Å; I191-M194 HydrophobicContact CG1-CG 4.13Å; I191-M194 HydrophobicContact CG1-SD 3.36Å; I191-M194 WeakPolarHBondContact CG1-SD 3.28Å; I191-A208 HydrophobicContact CD1-CB 3.64Å; I191-A208 HydrophobicContact CG1-CB 4.43Å
192	P	88.8	Confident	93.6	Very high	68 Å²	68	56.4 Å²	56.4	44%	0.442	32%	0.321	S	S	.	.	S	Bend	trans	-67.5	-16.2	-177.5	25.7	-36.6	0	0	0	114.8	Q185 H188	Q185-P192 PolarHBondContact NE2-O 3.1Å; Q185-P192 PolarHBondContact OE1-O 2.81Å; H188-P192 HydrophobicContact CB-CB 4.21Å
193	N	90.6	Very high	93.6	Very high	110 Å²	110	56.4 Å²	56.4	59%	0.588	32%	0.321	S	S	*	.			trans	-125.7	63.3	-174.4	-58.3	3.5	0	0	0	110.1	I191 F195	I191-N193 WeakPolarHBondContact CD1-O 3.03Å; I191-N193 PolarHBondContact O-N 3.39Å; N193-F195 VanDerWaalsContact C-N 3.27Å
194	M	94.1	Very high	93.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.301	C	S	.	.	S	Bend	trans	-70.9	-25.9	174.2	-70.6	-59	-73	0	0	112.2	P190 I191 V207 A208 L211 Y219	P190-M194 HydrophobicContact CG-CE 4Å; P190-M194 HydrophobicContact CG-SD 3.62Å; I191-M194 HydrophobicContact CD1-SD 4.12Å; I191-M194 HydrophobicContact CG1-CG 4.13Å; I191-M194 HydrophobicContact CG1-SD 3.36Å; I191-M194 WeakPolarHBondContact CG1-SD 3.28Å; M194-V207 PolarHBondContact O-N 3.49Å; M194-A208 HydrophobicContact SD-CB 4.21Å; M194-L211 HydrophobicContact CE-CD2 3.53Å; M194-L211 HydrophobicContact CE-CG 3.7Å; M194-Y219 HydrophobicContact CG-CE1 4.11Å
195	F	95.9	Very high	93.8	Very high	8 Å²	8	52 Å²	52	4%	0.035	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	153.5	-175.3	-53.3	-86.6	0	0	0	111.6	V150 V160 I182 N193 I204 V205 T206 V207 L211 Y219 I221 I244	V150-F195 HydrophobicContact CG1-CE1 4.22Å; V160-F195 HydrophobicContact CG2-CD1 4.07Å; V160-F195 HydrophobicContact CG2-CE1 3.99Å; I182-F195 HydrophobicContact CD1-CB 4.26Å; N193-F195 VanDerWaalsContact C-N 3.27Å; F195-I204 HydrophobicContact CB-CG2 4.08Å; F195-I204 HydrophobicContact CD1-CG2 4.35Å; F195-V205 WeakPolarHBondContact CA-O 3.45Å; F195-T206 HydrophobicContact CD1-CG2 4.34Å; F195-T206 HydrophobicContact CE1-CG2 4.13Å; F195-V207 VanDerWaalsContact C-CG2 3.47Å; F195-L211 HydrophobicContact CE1-CD1 4.38Å; F195-L211 HydrophobicContact CE1-CD2 4.5Å; F195-L211 HydrophobicContact CE2-CD2 4.36Å; F195-L211 HydrophobicContact CZ-CD1 4.4Å; F195-L211 HydrophobicContact CZ-CD2 3.78Å; F195-Y219 HydrophobicContact CE2-CD1 4.09Å; F195-Y219 AromaticContact CE2-CD2 3.9Å; F195-Y219 HydrophobicContact CE2-CD2 3.9Å; F195-Y219 HydrophobicContact CE2-CE2 4.37Å; F195-Y219 AromaticContact CE2-CG 3.74Å; F195-Y219 HydrophobicContact CE2-CG 3.74Å; F195-Y219 HydrophobicContact CZ-CD2 4.12Å; F195-Y219 HydrophobicContact CZ-CG 4.39Å; F195-I221 HydrophobicContact CB-CD1 3.81Å; F195-I221 HydrophobicContact CD2-CD1 3.53Å; F195-I221 HydrophobicContact CE2-CD1 4.3Å; F195-I221 HydrophobicContact CG-CD1 3.78Å; F195-I244 HydrophobicContact CD1-CD1 3.81Å; F195-I244 HydrophobicContact CD2-CD1 4.14Å; F195-I244 HydrophobicContact CE1-CD1 3.75Å; F195-I244 HydrophobicContact CE1-CG2 4.13Å; F195-I244 HydrophobicContact CE2-CD1 4.08Å; F195-I244 HydrophobicContact CG-CD1 4.01Å; F195-I244 HydrophobicContact CZ-CD1 3.87Å; F195-I244 HydrophobicContact CZ-CG2 3.92Å
196	T	95.9	Very high	93.9	Very high	69 Å²	69	51.9 Å²	51.9	42%	0.423	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	163.2	167.8	-169.1	0	0	0	0	109	I204 V205 V207	T196-I204 WeakPolarHBondContact O-CA 3.07Å; T196-V205 HydrophobicContact CG2-CG2 3.53Å; T196-V205 PolarHBondContact N-O 3.13Å; T196-V205 PolarHBondContact O-N 3.07Å; T196-V207 VanDerWaalsContact CB-CG2 3.48Å; T196-V207 HydrophobicContact CG2-CG2 3.55Å
197	I	97.3	Very high	93.8	Very high	17 Å²	17	51.9 Å²	51.9	9%	0.087	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.2	176.5	-168.5	165.3	0	0	0	110.1	V163 Y180 I182 S199 D203 I204 V223	V163-I197 HydrophobicContact CG2-CD1 3.62Å; Y180-I197 HydrophobicContact CG-CD1 4.34Å; I182-I197 HydrophobicContact CD1-CB 4.37Å; I182-I197 HydrophobicContact CG1-CB 4.2Å; I182-I197 HydrophobicContact CG1-CG2 3.94Å; I197-S199 PolarHBondContact O-N 2.75Å; I197-D203 CarbonylContact C-O 3.56Å; I197-D203 VanDerWaalsContact CA-O 3.31Å; I197-D203 WeakPolarHBondContact CA-O 3.31Å; I197-I204 HydrophobicContact CB-CG1 4.3Å; I197-I204 HydrophobicContact CD1-CD1 4.38Å; I197-I204 HydrophobicContact CD1-CG1 3.85Å; I197-I204 HydrophobicContact CG1-CG1 3.98Å; I197-V223 HydrophobicContact CD1-CG1 3.58Å; I197-V223 HydrophobicContact CD1-CG2 4.38Å
198	N	96.8	Very high	93.5	Very high	67 Å²	67	50.9 Å²	50.9	36%	0.358	29%	0.29	S	S	.	.			trans	-69.2	120.5	169.5	-177.5	-13.7	0	0	0	109.2	E200 T201 G202 D203	N198-E200 PolarHBondContact O-N 3.19Å; N198-E200 VanDerWaalsContact O-N 3.12Å; N198-E200 PolarHBondContact OD1-N 3.11Å; N198-T201 VanDerWaalsContact CB-OG1 3.28Å; N198-T201 WeakPolarHBondContact CB-OG1 3.35Å; N198-T201 PolarHBondContact ND2-OG1 2.87Å; N198-G202 PolarHBondContact O-N 2.75Å; N198-D203 HydrophobicContact CB-CB 4.19Å; N198-D203 PolarHBondContact N-O 3.2Å
199	S	95.8	Very high	93.2	Very high	48 Å²	48	48.5 Å²	48.5	34%	0.336	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.8	-176.7	73	0	0	0	0	114.5	R179 Y180 I197	R179-S199 WeakPolarHBondContact CA-O 3.35Å; R179-S199 WeakPolarHBondContact CD-O 3.49Å; R179-S199 PolarHBondContact NH1-OG 3.35Å; Y180-S199 PolarHBondContact N-O 3.31Å; Y180-S199 WeakPolarHBondContact O-CA 3.46Å; I197-S199 PolarHBondContact O-N 2.75Å
200	E	93.7	Very high	93.2	Very high	121 Å²	121	47.4 Å²	47.4	57%	0.565	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-46.1	-177.8	-67.9	-179.3	177	0	0	112.5	R179 N198	R179-E200 VanDerWaalsContact CZ-CG 3.41Å; R179-E200 IonicContact CZ-OE1 3.91Å; R179-E200 IonicContact NH1-OE1 2.98Å; R179-E200 PolarHBondContact NH1-OE1 3.4Å; R179-E200 IonicContact NH2-OE1 3.98Å; R179-E200 PolarHBondContact NH2-OE1 2.84Å; N198-E200 PolarHBondContact O-N 3.19Å; N198-E200 VanDerWaalsContact O-N 3.12Å; N198-E200 PolarHBondContact OD1-N 3.11Å
201	T	95.1	Very high	93.5	Very high	53 Å²	53	44 Å²	44	33%	0.325	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-16.5	-173	59.5	0	0	0	0	114.1	Q162 N198 D203	Q162-T201 WeakPolarHBondContact CG-O 3.27Å; Q162-T201 PolarHBondContact NE2-O 3.22Å; N198-T201 VanDerWaalsContact CB-OG1 3.28Å; N198-T201 WeakPolarHBondContact CB-OG1 3.35Å; N198-T201 PolarHBondContact ND2-OG1 2.87Å; T201-D203 VanDerWaalsContact C-N 3.26Å; T201-D203 VanDerWaalsContact CB-OD2 3.25Å; T201-D203 WeakPolarHBondContact CB-OD2 3.19Å; T201-D203 PolarHBondContact O-N 2.99Å; T201-D203 PolarHBondContact OG1-N 2.83Å; T201-D203 PolarHBondContact OG1-OD2 2.8Å
202	G	95.4	Very high	93.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.259	C	S	.	.			trans	75.8	9.4	-173.5	0	0	0	0	0	114.5	V163 N198 I204	V163-G202 PolarHBondContact N-O 2.78Å; N198-G202 PolarHBondContact O-N 2.75Å; G202-I204 PolarHBondContact O-N 2.93Å
203	D	97.4	Very high	94	Very high	47 Å²	47	40.9 Å²	40.9	25%	0.251	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	120.9	177.1	-62.6	-44.6	0	0	0	111.2	Q162 I197 N198 T201	Q162-D203 WeakPolarHBondContact CG-OD1 3.41Å; I197-D203 CarbonylContact C-O 3.56Å; I197-D203 VanDerWaalsContact CA-O 3.31Å; I197-D203 WeakPolarHBondContact CA-O 3.31Å; N198-D203 HydrophobicContact CB-CB 4.19Å; N198-D203 PolarHBondContact N-O 3.2Å; T201-D203 VanDerWaalsContact C-N 3.26Å; T201-D203 VanDerWaalsContact CB-OD2 3.25Å; T201-D203 WeakPolarHBondContact CB-OD2 3.19Å; T201-D203 PolarHBondContact O-N 2.99Å; T201-D203 PolarHBondContact OG1-N 2.83Å; T201-D203 PolarHBondContact OG1-OD2 2.8Å
204	I	97.4	Very high	94.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124.4	173.7	-57.7	-179.5	0	0	0	109	V160 M161 V163 F195 T196 I197 G202 V223 A242 I244	V160-I204 HydrophobicContact CB-CG2 4.49Å; V160-I204 WeakPolarHBondContact CB-O 3.42Å; V160-I204 PolarHBondContact N-O 3.27Å; M161-I204 HydrophobicContact CG-CB 4.24Å; M161-I204 HydrophobicContact CG-CD1 3.93Å; M161-I204 HydrophobicContact CG-CG1 4.32Å; M161-I204 PolarHBondContact O-N 3.45Å; M161-I204 HydrophobicContact SD-CD1 4.28Å; V163-I204 HydrophobicContact CG1-CD1 4.04Å; V163-I204 HydrophobicContact CG2-CD1 4.46Å; F195-I204 HydrophobicContact CB-CG2 4.08Å; F195-I204 HydrophobicContact CD1-CG2 4.35Å; T196-I204 WeakPolarHBondContact O-CA 3.07Å; I197-I204 HydrophobicContact CB-CG1 4.3Å; I197-I204 HydrophobicContact CD1-CD1 4.38Å; I197-I204 HydrophobicContact CD1-CG1 3.85Å; I197-I204 HydrophobicContact CG1-CG1 3.98Å; G202-I204 PolarHBondContact O-N 2.93Å; I204-V223 HydrophobicContact CD1-CG2 4.12Å; I204-A242 HydrophobicContact CD1-CB 3.99Å; I204-I244 HydrophobicContact CG2-CD1 4.25Å
205	V	96.6	Very high	94.2	Very high	39 Å²	39	45.7 Å²	45.7	24%	0.236	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	154.9	-178.2	-50.5	0	0	0	0	111.9	S158 F195 T196	S158-V205 CarbonylContact O-C 3.55Å; S158-V205 VanDerWaalsContact O-CA 3.23Å; S158-V205 WeakPolarHBondContact O-CA 3.42Å; S158-V205 WeakPolarHBondContact O-CB 3.37Å; F195-V205 WeakPolarHBondContact CA-O 3.45Å; T196-V205 HydrophobicContact CG2-CG2 3.53Å; T196-V205 PolarHBondContact N-O 3.13Å; T196-V205 PolarHBondContact O-N 3.07Å
206	T	95.9	Very high	94.1	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.025	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	144.2	176	61	0	0	0	0	112	V150 K155 G157 S158 V160 F195 L211	V150-T206 HydrophobicContact CG2-CG2 4.12Å; K155-T206 PolarHBondContact O-OG1 2.99Å; G157-T206 PolarHBondContact N-O 2.94Å; G157-T206 PolarHBondContact N-OG1 3.17Å; S158-T206 PolarHBondContact N-OG1 2.88Å; S158-T206 PolarHBondContact O-N 3.14Å; V160-T206 HydrophobicContact CG2-CG2 4.03Å; F195-T206 HydrophobicContact CD1-CG2 4.34Å; F195-T206 HydrophobicContact CE1-CG2 4.13Å; T206-L211 HydrophobicContact CG2-CD1 3.74Å
207	V	93.1	Very high	94	Very high	70 Å²	70	46 Å²	46	42%	0.424	27%	0.267	S	S	.	.			trans	-110.7	-31.3	-179.4	179.8	0	0	0	0	112.1	M194 F195 T196	M194-V207 PolarHBondContact O-N 3.49Å; F195-V207 VanDerWaalsContact C-CG2 3.47Å; T196-V207 VanDerWaalsContact CB-CG2 3.48Å; T196-V207 HydrophobicContact CG2-CG2 3.55Å
208	A	87.7	Confident	93.9	Very high	22 Å²	22	49.6 Å²	49.6	18%	0.182	28%	0.283	C	S	.	.	S	Bend	trans	-132.6	154.4	-177.1	0	0	0	0	0	111.5	I191 M194	I191-A208 HydrophobicContact CD1-CB 3.64Å; I191-A208 HydrophobicContact CG1-CB 4.43Å; M194-A208 HydrophobicContact SD-CB 4.21Å
209	A	86.4	Confident	93.9	Very high	70 Å²	70	46.4 Å²	46.4	58%	0.579	27%	0.266	S	S	*	.	S	Bend	trans	-76.6	163.6	163.9	0	0	0	0	0	110.2
210	G	86.8	Confident	94	Very high	35 Å²	35	46.1 Å²	46.1	36%	0.361	26%	0.262	S	S	.	.			trans	100.4	19.9	-175	0	0	0	0	0	114.3	P190	P190-G210 WeakPolarHBondContact CG-O 3.49Å
211	L	93.2	Very high	94.1	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.026	24%	0.236	C	C	.	.			trans	-66.3	130.1	152.2	-64.9	175.2	0	0	0	107.6	V150 E152 G153 M194 F195 T206 Y219 I246	V150-L211 HydrophobicContact CG1-CD1 3.77Å; V150-L211 HydrophobicContact CG2-CD1 4.19Å; E152-L211 WeakPolarHBondContact CB-O 3.3Å; G153-L211 PolarHBondContact N-O 3.18Å; M194-L211 HydrophobicContact CE-CD2 3.53Å; M194-L211 HydrophobicContact CE-CG 3.7Å; F195-L211 HydrophobicContact CE1-CD1 4.38Å; F195-L211 HydrophobicContact CE1-CD2 4.5Å; F195-L211 HydrophobicContact CE2-CD2 4.36Å; F195-L211 HydrophobicContact CZ-CD1 4.4Å; F195-L211 HydrophobicContact CZ-CD2 3.78Å; T206-L211 HydrophobicContact CG2-CD1 3.74Å; L211-Y219 HydrophobicContact CD2-CD2 4.49Å; L211-Y219 HydrophobicContact CD2-CE2 3.71Å; L211-I246 HydrophobicContact CD1-CD1 4.42Å; L211-I246 HydrophobicContact CD2-CD1 3.91Å
212	D	94.3	Very high	94.2	Very high	37 Å²	37	40.1 Å²	40.1	20%	0.198	23%	0.232	C	C	.	.			trans	-164.8	105.1	-157	-179.1	-64.6	0	0	0	106.3	K215 V216	D212-K215 PolarHBondContact O-N 3.06Å; D212-K215 VanDerWaalsContact OD1-CB 3.24Å; D212-K215 WeakPolarHBondContact OD1-CB 3.14Å; D212-K215 VanDerWaalsContact OD1-CD 3.23Å; D212-K215 WeakPolarHBondContact OD1-CD 3.48Å; D212-K215 WeakPolarHBondContact OD1-CG 3.4Å; D212-K215 PolarHBondContact OD1-N 2.7Å; D212-K215 VanDerWaalsContact OD1-N 3.15Å; D212-K215 IonicContact OD1-NZ 2.86Å; D212-K215 PolarHBondContact OD1-NZ 2.89Å; D212-K215 WeakPolarHBondContact OD2-CE 3.32Å; D212-K215 IonicContact OD2-NZ 3.05Å; D212-K215 PolarHBondContact OD2-NZ 2.95Å; D212-V216 CarbonylContact O-C 3.54Å; D212-V216 PolarHBondContact O-N 3.47Å
213	R	95.3	Very high	94.3	Very high	37 Å²	37	40.2 Å²	40.2	14%	0.14	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-32.2	-165.2	-175.3	-151.4	65	93	3.5	111.5	E152 K215 V216 S217 I246 D248 R282	E152-R213 WeakPolarHBondContact OE2-CB 3.31Å; E152-R213 PolarHBondContact OE2-N 3.05Å; R213-K215 PolarHBondContact O-N 2.86Å; R213-V216 CarbonylContact O-C 3.57Å; R213-V216 PolarHBondContact O-N 3.44Å; R213-S217 PolarHBondContact O-N 3.4Å; R213-I246 HydrophobicContact CB-CB 4.45Å; R213-I246 HydrophobicContact CB-CG2 4Å; R213-D248 WeakPolarHBondContact CD-OD1 3.48Å; R213-D248 IonicContact CZ-OD1 2.81Å; R213-D248 IonicContact NE-OD1 2.76Å; R213-D248 PolarHBondContact NE-OD1 3.17Å; R213-D248 IonicContact NH2-OD1 2.59Å; R213-R282 PolarHBondContact NH2-O 3.45Å
214	E	94.8	Very high	94.3	Very high	56 Å²	56	38.9 Å²	38.9	26%	0.262	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-28	177	-65	60.2	-123.6	0	0	111.1	R282	E214-R282 HydrophobicContact CG-CB 4.04Å
215	K	92.8	Very high	94.3	Very high	154 Å²	154	38.9 Å²	38.9	67%	0.67	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-45.6	171.6	-68.6	168.3	-158.8	69.7	0	112.5	D212 R213	D212-K215 PolarHBondContact O-N 3.06Å; D212-K215 VanDerWaalsContact OD1-CB 3.24Å; D212-K215 WeakPolarHBondContact OD1-CB 3.14Å; D212-K215 VanDerWaalsContact OD1-CD 3.23Å; D212-K215 WeakPolarHBondContact OD1-CD 3.48Å; D212-K215 WeakPolarHBondContact OD1-CG 3.4Å; D212-K215 PolarHBondContact OD1-N 2.7Å; D212-K215 VanDerWaalsContact OD1-N 3.15Å; D212-K215 IonicContact OD1-NZ 2.86Å; D212-K215 PolarHBondContact OD1-NZ 2.89Å; D212-K215 WeakPolarHBondContact OD2-CE 3.32Å; D212-K215 IonicContact OD2-NZ 3.05Å; D212-K215 PolarHBondContact OD2-NZ 2.95Å; R213-K215 PolarHBondContact O-N 2.86Å
216	V	93.6	Very high	94.3	Very high	13 Å²	13	37.1 Å²	37.1	8%	0.079	21%	0.214	C	C	.	.			trans	-145.2	97	-176.6	-175	0	0	0	0	111	P187 D212 R213 Q218 Y219 I246	P187-V216 HydrophobicContact CG-CB 4.35Å; P187-V216 HydrophobicContact CG-CG1 3.45Å; P187-V216 VanDerWaalsContact CG-CG1 3.45Å; P187-V216 HydrophobicContact CG-CG2 3.86Å; D212-V216 CarbonylContact O-C 3.54Å; D212-V216 PolarHBondContact O-N 3.47Å; R213-V216 CarbonylContact O-C 3.57Å; R213-V216 PolarHBondContact O-N 3.44Å; V216-Q218 VanDerWaalsContact CG1-O 3.31Å; V216-Q218 WeakPolarHBondContact CG1-O 3.48Å; V216-Y219 HydrophobicContact CB-CE2 4.05Å; V216-Y219 HydrophobicContact CG1-CD1 4.32Å; V216-Y219 HydrophobicContact CG1-CD2 3.93Å; V216-Y219 HydrophobicContact CG1-CE1 3.94Å; V216-Y219 HydrophobicContact CG1-CE2 3.49Å; V216-Y219 VanDerWaalsContact CG1-CE2 3.49Å; V216-Y219 HydrophobicContact CG1-CG 4.32Å; V216-I246 WeakPolarHBondContact O-CG1 3.48Å
217	S	94.4	Very high	94.2	Very high	72 Å²	72	37 Å²	37	50%	0.503	21%	0.213	S	C	.	.	S	Bend	trans	-77.8	-14.5	178.1	57.8	0	0	0	0	115	R213 I246	R213-S217 PolarHBondContact O-N 3.4Å; S217-I246 PolarHBondContact O-N 3.22Å
218	Q	96.1	Very high	94.3	Very high	91 Å²	91	36 Å²	36	43%	0.425	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	141.6	178.7	-175.1	170.6	82.6	0	0	112.7	V216 I244 S245	V216-Q218 VanDerWaalsContact CG1-O 3.31Å; V216-Q218 WeakPolarHBondContact CG1-O 3.48Å; Q218-I244 CarbonylContact C-O 3.47Å; Q218-I244 WeakPolarHBondContact CA-O 3.36Å; Q218-S245 PolarHBondContact NE2-OG 2.92Å
219	Y	96.1	Very high	94.5	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138.6	168.9	-65.1	-99	0	0	0	110.6	Q185 T186 P187 S189 P190 M194 F195 L211 V216 I244 I246	Q185-Y219 HydrophobicContact CG-CD1 3.93Å; T186-Y219 CarbonylContact O-C 3.59Å; T186-Y219 WeakPolarHBondContact O-CA 3.21Å; P187-Y219 HydrophobicContact CG-CD1 4.27Å; P187-Y219 HydrophobicContact CG-CE1 4.14Å; S189-Y219 WeakPolarHBondContact O-CE1 3.4Å; S189-Y219 PolarHBondContact O-OH 2.85Å; S189-Y219 VanDerWaalsContact O-OH 3.09Å; P190-Y219 WeakPolarHBondContact CD-OH 3.32Å; M194-Y219 HydrophobicContact CG-CE1 4.11Å; F195-Y219 HydrophobicContact CE2-CD1 4.09Å; F195-Y219 AromaticContact CE2-CD2 3.9Å; F195-Y219 HydrophobicContact CE2-CD2 3.9Å; F195-Y219 HydrophobicContact CE2-CE2 4.37Å; F195-Y219 AromaticContact CE2-CG 3.74Å; F195-Y219 HydrophobicContact CE2-CG 3.74Å; F195-Y219 HydrophobicContact CZ-CD2 4.12Å; F195-Y219 HydrophobicContact CZ-CG 4.39Å; L211-Y219 HydrophobicContact CD2-CD2 4.49Å; L211-Y219 HydrophobicContact CD2-CE2 3.71Å; V216-Y219 HydrophobicContact CB-CE2 4.05Å; V216-Y219 HydrophobicContact CG1-CD1 4.32Å; V216-Y219 HydrophobicContact CG1-CD2 3.93Å; V216-Y219 HydrophobicContact CG1-CE1 3.94Å; V216-Y219 HydrophobicContact CG1-CE2 3.49Å; V216-Y219 VanDerWaalsContact CG1-CE2 3.49Å; V216-Y219 HydrophobicContact CG1-CG 4.32Å; Y219-I244 PolarHBondContact N-O 3.2Å; Y219-I244 PolarHBondContact O-N 3.46Å; Y219-I246 HydrophobicContact CD2-CD1 3.95Å; Y219-I246 HydrophobicContact CD2-CG1 4.12Å; Y219-I246 HydrophobicContact CE2-CD1 3.98Å; Y219-I246 HydrophobicContact CE2-CG1 3.99Å
220	T	97	Very high	94.6	Very high	42 Å²	42	38.6 Å²	38.6	26%	0.258	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.7	167.8	-59.6	0	0	0	0	108.6	Q185 T186 T241 L243	Q185-T220 CarbonylContact C-O 3.58Å; Q185-T220 WeakPolarHBondContact CA-O 3.42Å; T186-T220 PolarHBondContact N-O 2.74Å; T186-T220 PolarHBondContact O-N 3.45Å; T186-T220 PolarHBondContact OG1-O 3.32Å; T220-T241 HydrophobicContact CG2-CG2 3.68Å; T220-L243 HydrophobicContact CG2-CD2 3.91Å; T220-L243 WeakPolarHBondContact OG1-CD2 3.32Å
221	I	96.4	Very high	94.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.7	-179.6	-59.4	-172	0	0	0	109.1	I182 S184 Q185 F195 V223 T241 A242 I244	I182-I221 HydrophobicContact CB-CG2 4.31Å; I182-I221 HydrophobicContact CD1-CD1 4.46Å; I182-I221 HydrophobicContact CD1-CG2 4.02Å; I182-I221 HydrophobicContact CG1-CG2 3.8Å; I182-I221 HydrophobicContact CG2-CG2 3.68Å; S184-I221 WeakPolarHBondContact O-CA 3.4Å; Q185-I221 HydrophobicContact CB-CG1 4.44Å; Q185-I221 HydrophobicContact CG-CG1 4.21Å; F195-I221 HydrophobicContact CB-CD1 3.81Å; F195-I221 HydrophobicContact CD2-CD1 3.53Å; F195-I221 HydrophobicContact CE2-CD1 4.3Å; F195-I221 HydrophobicContact CG-CD1 3.78Å; I221-V223 HydrophobicContact CG2-CG2 4.07Å; I221-T241 CarbonylContact O-C 3.57Å; I221-T241 WeakPolarHBondContact O-CA 3.43Å; I221-A242 HydrophobicContact CB-CB 4.31Å; I221-A242 PolarHBondContact N-O 3.42Å; I221-A242 PolarHBondContact O-N 2.61Å; I221-I244 HydrophobicContact CD1-CD1 3.52Å; I221-I244 HydrophobicContact CG1-CD1 4.32Å
222	I	97.3	Very high	94.6	Very high	48 Å²	48	44.3 Å²	44.3	25%	0.246	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115.6	169.2	-53.8	-56.9	0	0	0	108.3	L183 S184 T239 T241	L183-I222 HydrophobicContact CB-CB 4.45Å; L183-I222 HydrophobicContact CB-CG2 4.39Å; L183-I222 HydrophobicContact CD1-CG2 4.24Å; L183-I222 PolarHBondContact N-O 3.39Å; S184-I222 PolarHBondContact O-N 2.77Å; S184-I222 WeakPolarHBondContact OG-CG1 3.12Å; I222-T239 HydrophobicContact CG2-CG2 4.22Å; I222-T241 HydrophobicContact CD1-CG2 4.21Å
223	V	97.6	Very high	94.4	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	139.2	175	-174.4	0	0	0	0	108.8	F141 V163 R181 I197 I204 I221 T239 A240 A242	F141-V223 HydrophobicContact CE1-CG1 4.45Å; F141-V223 HydrophobicContact CZ-CB 4.46Å; F141-V223 HydrophobicContact CZ-CG1 4.13Å; V163-V223 HydrophobicContact CG2-CG1 4.03Å; V163-V223 HydrophobicContact CG2-CG2 4.46Å; R181-V223 WeakPolarHBondContact O-CA 3.39Å; I197-V223 HydrophobicContact CD1-CG1 3.58Å; I197-V223 HydrophobicContact CD1-CG2 4.38Å; I204-V223 HydrophobicContact CD1-CG2 4.12Å; I221-V223 HydrophobicContact CG2-CG2 4.07Å; V223-T239 CarbonylContact O-C 3.55Å; V223-T239 WeakPolarHBondContact O-CA 3.45Å; V223-A240 PolarHBondContact N-O 2.9Å; V223-A240 PolarHBondContact O-N 3.12Å; V223-A242 HydrophobicContact CG2-CB 4.34Å
224	Q	97.1	Very high	94.1	Very high	20 Å²	20	54.8 Å²	54.8	9%	0.093	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.6	170.3	-171	174.5	39.3	0	0	110.3	Y180 R181 L183 S237 N238 T239	Y180-Q224 WeakPolarHBondContact CA-O 3.09Å; R181-Q224 HydrophobicContact CG-CB 4.11Å; R181-Q224 PolarHBondContact N-O 2.85Å; R181-Q224 PolarHBondContact O-N 3.41Å; L183-Q224 HydrophobicContact CD1-CB 3.86Å; L183-Q224 HydrophobicContact CD1-CG 4.44Å; L183-Q224 HydrophobicContact CD2-CB 4.34Å; L183-Q224 HydrophobicContact CG-CB 3.86Å; Q224-S237 VanDerWaalsContact NE2-CB 3.33Å; Q224-S237 PolarHBondContact NE2-OG 3.46Å; Q224-N238 VanDerWaalsContact CA-O 3.31Å; Q224-N238 WeakPolarHBondContact CA-O 3.38Å; Q224-N238 VanDerWaalsContact CG-O 3.31Å; Q224-N238 WeakPolarHBondContact CG-O 3.34Å; Q224-T239 HydrophobicContact CB-CG2 4.04Å; Q224-T239 HydrophobicContact CG-CG2 4.06Å
225	A	97.4	Very high	93.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.3	162	0	0	0	0	0	108.4	P139 F141 A165 V178 R179 Y180 S237 N238	P139-A225 HydrophobicContact CB-CB 3.82Å; P139-A225 HydrophobicContact CG-CB 4.47Å; F141-A225 HydrophobicContact CD2-CB 4.41Å; F141-A225 HydrophobicContact CE1-CB 4.3Å; F141-A225 HydrophobicContact CE2-CB 3.59Å; F141-A225 HydrophobicContact CZ-CB 3.53Å; A165-A225 HydrophobicContact CB-CB 3.59Å; V178-A225 HydrophobicContact CG1-CB 3.75Å; R179-A225 WeakPolarHBondContact O-CA 3.12Å; Y180-A225 HydrophobicContact CD1-CB 4.24Å; Y180-A225 HydrophobicContact CE1-CB 4.25Å; A225-S237 CarbonylContact O-C 3.55Å; A225-S237 WeakPolarHBondContact O-CA 3.46Å; A225-S237 VanDerWaalsContact O-CB 3.24Å; A225-S237 WeakPolarHBondContact O-CB 3.4Å; A225-N238 PolarHBondContact N-O 3.12Å; A225-N238 PolarHBondContact O-N 3.43Å
226	T	96.6	Very high	94	Very high	2 Å²	2	49 Å²	49	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.8	177.4	-58.5	0	0	0	0	108.4	V178 R179 L232 L236 S237	V178-T226 CarbonylContact C-O 3.59Å; V178-T226 WeakPolarHBondContact CA-O 3.11Å; R179-T226 PolarHBondContact N-O 2.91Å; R179-T226 PolarHBondContact O-N 2.76Å; T226-L232 HydrophobicContact CG2-CD2 4.34Å; T226-L236 WeakPolarHBondContact CA-O 3.37Å; T226-L236 WeakPolarHBondContact CG2-O 3.15Å; T226-S237 VanDerWaalsContact OG1-CB 3.27Å; T226-S237 WeakPolarHBondContact OG1-CB 3.48Å
227	D	95.1	Very high	94.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-70.8	-164.2	172.9	59.4	34.8	0	0	0	112	N135 P139 N175 M177 E229 G230 N231 G235 L236	N135-D227 PolarHBondContact ND2-OD2 2.84Å; N135-D227 PolarHBondContact OD1-OD1 3.03Å; P139-D227 HydrophobicContact CG-CB 4.04Å; N175-D227 VanDerWaalsContact O-CB 3.29Å; N175-D227 WeakPolarHBondContact O-CB 3.3Å; M177-D227 CarbonylContact O-C 3.42Å; D227-E229 VanDerWaalsContact C-N 3.29Å; D227-E229 PolarHBondContact O-N 2.94Å; D227-G230 WeakPolarHBondContact O-CA 3.36Å; D227-G230 PolarHBondContact O-N 3.43Å; D227-N231 PolarHBondContact O-N 3.11Å; D227-G235 WeakPolarHBondContact OD1-CA 3.37Å; D227-L236 PolarHBondContact N-O 3.3Å; D227-L236 VanDerWaalsContact N-O 3.15Å; D227-L236 PolarHBondContact OD1-N 3.2Å; D227-L236 WeakPolarHBondContact OD2-CA 3.4Å; D227-L236 VanDerWaalsContact OD2-CB 3.26Å; D227-L236 WeakPolarHBondContact OD2-CB 3.48Å; D227-L236 PolarHBondContact OD2-N 2.91Å
228	M	93.8	Very high	94.2	Very high	49 Å²	49	48.6 Å²	48.6	24%	0.241	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	55.2	39.9	172.6	-78.1	-84.8	179.6	0	0	113.7	N135 A174 N175 G230 N231	N135-M228 HydrophobicContact CB-CE 3.78Å; N135-M228 WeakPolarHBondContact OD1-CE 3.31Å; N135-M228 WeakPolarHBondContact OD1-CG 3.11Å; A174-M228 HydrophobicContact CB-SD 4.03Å; A174-M228 WeakPolarHBondContact O-CA 3.1Å; A174-M228 PolarHBondContact O-N 3.35Å; N175-M228 WeakPolarHBondContact OD1-CE 3.41Å; M228-G230 PolarHBondContact O-N 3.17Å; M228-G230 VanDerWaalsContact O-N 3.16Å; M228-N231 HydrophobicContact CB-CB 4.08Å; M228-N231 WeakPolarHBondContact O-CB 3.4Å; M228-N231 PolarHBondContact O-N 2.92Å; M228-N231 VanDerWaalsContact O-N 3.09Å
229	E	91.6	Very high	94.3	Very high	125 Å²	125	47 Å²	47	58%	0.584	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	53.6	29.3	-171.6	-56.4	-172.2	139.8	0	0	113.5	M177 R179 D227	M177-E229 HydrophobicContact CB-CG 4.37Å; M177-E229 PolarHBondContact O-N 3.35Å; M177-E229 VanDerWaalsContact O-N 3.14Å; R179-E229 WeakPolarHBondContact CG-O 3.02Å; D227-E229 VanDerWaalsContact C-N 3.29Å; D227-E229 PolarHBondContact O-N 2.94Å
230	G	89.9	Confident	94.3	Very high	23 Å²	23	47 Å²	47	24%	0.237	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	85.4	15.9	-178.4	0	0	0	0	0	115.3	D227 M228 L232	D227-G230 WeakPolarHBondContact O-CA 3.36Å; D227-G230 PolarHBondContact O-N 3.43Å; M228-G230 PolarHBondContact O-N 3.17Å; M228-G230 VanDerWaalsContact O-N 3.16Å; G230-L232 PolarHBondContact O-N 2.9Å
231	N	92.3	Very high	94.4	Very high	64 Å²	64	46.9 Å²	46.9	34%	0.342	25%	0.253	S	S	.	.			trans	-79.8	92.1	-170.2	-168.7	-19.3	0	0	0	113.9	D227 M228 N233 F234 G235	D227-N231 PolarHBondContact O-N 3.11Å; M228-N231 HydrophobicContact CB-CB 4.08Å; M228-N231 WeakPolarHBondContact O-CB 3.4Å; M228-N231 PolarHBondContact O-N 2.92Å; M228-N231 VanDerWaalsContact O-N 3.09Å; N231-N233 PolarHBondContact O-N 3.24Å; N231-N233 PolarHBondContact OD1-N 3.33Å; N231-N233 PolarHBondContact OD1-ND2 2.79Å; N231-F234 PolarHBondContact O-N 3.44Å; N231-G235 PolarHBondContact O-N 2.95Å
232	L	87.4	Confident	94.4	Very high	95 Å²	95	46.9 Å²	46.9	50%	0.497	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-8.3	-177.6	-49.4	178.3	0	0	0	117.5	T226 G230	T226-L232 HydrophobicContact CG2-CD2 4.34Å; G230-L232 PolarHBondContact O-N 2.9Å
233	N	89.5	Confident	94.4	Very high	138 Å²	138	46.6 Å²	46.6	74%	0.738	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-20	178.2	-59.9	-77.7	0	0	0	113.8	N231	N231-N233 PolarHBondContact O-N 3.24Å; N231-N233 PolarHBondContact OD1-N 3.33Å; N231-N233 PolarHBondContact OD1-ND2 2.79Å
234	F	88.8	Confident	94.4	Very high	157 Å²	157	46.6 Å²	46.6	69%	0.689	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.9	-27.5	-173.7	-60.4	-67.2	0	0	0	112.5	N231	N231-F234 PolarHBondContact O-N 3.44Å
235	G	92.3	Very high	94.4	Very high	14 Å²	14	48 Å²	48	14%	0.144	26%	0.264	C	S	.	.			trans	-86.2	151.1	-175.9	0	0	0	0	0	115.2	D227 N231	D227-G235 WeakPolarHBondContact OD1-CA 3.37Å; N231-G235 PolarHBondContact O-N 2.95Å
236	L	94.3	Very high	94.3	Very high	74 Å²	74	48.4 Å²	48.4	39%	0.387	27%	0.266	S	S	.	.			trans	-87.3	159	171.6	-51.3	-171.9	0	0	0	109.8	N137 R138 T226 D227	N137-L236 WeakPolarHBondContact O-CD1 3.32Å; R138-L236 HydrophobicContact CB-CB 3.61Å; R138-L236 HydrophobicContact CB-CD1 4.32Å; T226-L236 WeakPolarHBondContact CA-O 3.37Å; T226-L236 WeakPolarHBondContact CG2-O 3.15Å; D227-L236 PolarHBondContact N-O 3.3Å; D227-L236 VanDerWaalsContact N-O 3.15Å; D227-L236 PolarHBondContact OD1-N 3.2Å; D227-L236 WeakPolarHBondContact OD2-CA 3.4Å; D227-L236 VanDerWaalsContact OD2-CB 3.26Å; D227-L236 WeakPolarHBondContact OD2-CB 3.48Å; D227-L236 PolarHBondContact OD2-N 2.91Å
237	S	95.5	Very high	94.3	Very high	51 Å²	51	51.1 Å²	51.1	36%	0.357	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	158.2	-171.2	63.6	0	0	0	0	113.3	Q224 A225 T226	Q224-S237 VanDerWaalsContact NE2-CB 3.33Å; Q224-S237 PolarHBondContact NE2-OG 3.46Å; A225-S237 CarbonylContact O-C 3.55Å; A225-S237 WeakPolarHBondContact O-CA 3.46Å; A225-S237 VanDerWaalsContact O-CB 3.24Å; A225-S237 WeakPolarHBondContact O-CB 3.4Å; T226-S237 VanDerWaalsContact OG1-CB 3.27Å; T226-S237 WeakPolarHBondContact OG1-CB 3.48Å
238	N	96.4	Very high	94.3	Very high	25 Å²	25	52.2 Å²	52.2	13%	0.134	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	163.3	-173.1	-165.7	4.4	0	0	0	109.8	P139 E140 Q224 A225	P139-N238 WeakPolarHBondContact O-CB 3.43Å; P139-N238 PolarHBondContact O-ND2 2.72Å; E140-N238 PolarHBondContact OE1-ND2 2.93Å; E140-N238 PolarHBondContact OE2-ND2 2.87Å; Q224-N238 VanDerWaalsContact CA-O 3.31Å; Q224-N238 WeakPolarHBondContact CA-O 3.38Å; Q224-N238 VanDerWaalsContact CG-O 3.31Å; Q224-N238 WeakPolarHBondContact CG-O 3.34Å; A225-N238 PolarHBondContact N-O 3.12Å; A225-N238 PolarHBondContact O-N 3.43Å
239	T	97.3	Very high	94.4	Very high	57 Å²	57	52.8 Å²	52.8	35%	0.35	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	140.4	-172.5	53.6	0	0	0	0	113	L183 I222 V223 Q224	L183-T239 HydrophobicContact CD1-CG2 3.79Å; I222-T239 HydrophobicContact CG2-CG2 4.22Å; V223-T239 CarbonylContact O-C 3.55Å; V223-T239 WeakPolarHBondContact O-CA 3.45Å; Q224-T239 HydrophobicContact CB-CG2 4.04Å; Q224-T239 HydrophobicContact CG-CG2 4.06Å
240	A	97.3	Very high	94.5	Very high	2 Å²	2	47 Å²	47	2%	0.017	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	160.4	170.3	0	0	0	0	0	110.8	F141 Y146 V223	F141-A240 HydrophobicContact CB-CB 3.95Å; F141-A240 HydrophobicContact CD1-CB 3.8Å; F141-A240 HydrophobicContact CD2-CB 3.59Å; F141-A240 HydrophobicContact CE1-CB 4.12Å; F141-A240 HydrophobicContact CE2-CB 3.93Å; F141-A240 HydrophobicContact CG-CB 3.51Å; F141-A240 HydrophobicContact CZ-CB 4.17Å; Y146-A240 HydrophobicContact CD2-CB 4.27Å; Y146-A240 HydrophobicContact CE2-CB 4.01Å; V223-A240 PolarHBondContact N-O 2.9Å; V223-A240 PolarHBondContact O-N 3.12Å
241	T	97.9	Very high	94.7	Very high	39 Å²	39	48.9 Å²	48.9	24%	0.239	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131	178	-55.1	0	0	0	0	110.4	Q144 V145 Y146 T220 I221 I222 L243	Q144-T241 PolarHBondContact O-N 2.86Å; V145-T241 CarbonylContact C-O 3.59Å; V145-T241 VanDerWaalsContact CA-O 3.29Å; V145-T241 WeakPolarHBondContact CA-O 3.42Å; Y146-T241 PolarHBondContact N-O 2.86Å; T220-T241 HydrophobicContact CG2-CG2 3.68Å; I221-T241 CarbonylContact O-C 3.57Å; I221-T241 WeakPolarHBondContact O-CA 3.43Å; I222-T241 HydrophobicContact CD1-CG2 4.21Å; T241-L243 HydrophobicContact CG2-CD2 4.04Å; T241-L243 HydrophobicContact CG2-CG 4.35Å
242	A	97.5	Very high	94.8	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.6	168.9	0	0	0	0	0	109.5	Y146 M161 I204 I221 V223	Y146-A242 CarbonylContact O-C 3.52Å; Y146-A242 WeakPolarHBondContact O-CA 3.37Å; M161-A242 HydrophobicContact CE-CB 3.9Å; M161-A242 HydrophobicContact SD-CB 3.92Å; I204-A242 HydrophobicContact CD1-CB 3.99Å; I221-A242 HydrophobicContact CB-CB 4.31Å; I221-A242 PolarHBondContact N-O 3.42Å; I221-A242 PolarHBondContact O-N 2.61Å; V223-A242 HydrophobicContact CG2-CB 4.34Å
243	L	97.6	Very high	95.1	Very high	43 Å²	43	43.6 Å²	43.6	23%	0.225	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.8	174.8	-61.7	178.7	0	0	0	108.5	V145 Y146 G148 T220 T241	V145-L243 HydrophobicContact CG1-CD1 3.8Å; V145-L243 HydrophobicContact CG1-CG 4.07Å; Y146-L243 PolarHBondContact O-N 3.17Å; G148-L243 PolarHBondContact N-O 3.34Å; T220-L243 HydrophobicContact CG2-CD2 3.91Å; T220-L243 WeakPolarHBondContact OG1-CD2 3.32Å; T241-L243 HydrophobicContact CG2-CD2 4.04Å; T241-L243 HydrophobicContact CG2-CG 4.35Å
244	I	96.9	Very high	95.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	108.9	179.6	-62.1	169.5	0	0	0	108.2	G148 V150 V160 M161 F195 I204 Q218 Y219 I221 I246	G148-I244 WeakPolarHBondContact O-CA 3.18Å; V150-I244 HydrophobicContact CG1-CG2 3.76Å; V160-I244 HydrophobicContact CG1-CB 4.46Å; V160-I244 HydrophobicContact CG1-CD1 3.97Å; V160-I244 HydrophobicContact CG1-CG1 3.9Å; V160-I244 HydrophobicContact CG1-CG2 3.76Å; M161-I244 HydrophobicContact CE-CD1 4.33Å; M161-I244 HydrophobicContact CE-CG1 3.45Å; M161-I244 VanDerWaalsContact CE-CG1 3.45Å; F195-I244 HydrophobicContact CD1-CD1 3.81Å; F195-I244 HydrophobicContact CD2-CD1 4.14Å; F195-I244 HydrophobicContact CE1-CD1 3.75Å; F195-I244 HydrophobicContact CE1-CG2 4.13Å; F195-I244 HydrophobicContact CE2-CD1 4.08Å; F195-I244 HydrophobicContact CG-CD1 4.01Å; F195-I244 HydrophobicContact CZ-CD1 3.87Å; F195-I244 HydrophobicContact CZ-CG2 3.92Å; I204-I244 HydrophobicContact CG2-CD1 4.25Å; Q218-I244 CarbonylContact C-O 3.47Å; Q218-I244 WeakPolarHBondContact CA-O 3.36Å; Y219-I244 PolarHBondContact N-O 3.2Å; Y219-I244 PolarHBondContact O-N 3.46Å; I221-I244 HydrophobicContact CD1-CD1 3.52Å; I221-I244 HydrophobicContact CG1-CD1 4.32Å; I244-I246 HydrophobicContact CG2-CD1 4.13Å
245	S	96.8	Very high	95.6	Very high	49 Å²	49	32.3 Å²	32.3	34%	0.343	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	132.4	171.3	-63.9	0	0	0	0	110.3	G148 S149 V150 Q218	G148-S245 PolarHBondContact O-N 2.8Å; S149-S245 WeakPolarHBondContact CA-O 3.3Å; S149-S245 VanDerWaalsContact CB-O 3.27Å; S149-S245 WeakPolarHBondContact CB-O 3.36Å; V150-S245 PolarHBondContact N-O 3.35Å; Q218-S245 PolarHBondContact NE2-OG 2.92Å
246	I	96.1	Very high	95.7	Very high	10 Å²	10	31.8 Å²	31.8	5%	0.051	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	126.3	176.5	-52.5	-52.7	0	0	0	108.8	V150 E152 L211 R213 V216 S217 Y219 I244	V150-I246 HydrophobicContact CG1-CD1 3.63Å; V150-I246 WeakPolarHBondContact O-CA 3.16Å; E152-I246 HydrophobicContact CB-CG2 3.74Å; L211-I246 HydrophobicContact CD1-CD1 4.42Å; L211-I246 HydrophobicContact CD2-CD1 3.91Å; R213-I246 HydrophobicContact CB-CB 4.45Å; R213-I246 HydrophobicContact CB-CG2 4Å; V216-I246 WeakPolarHBondContact O-CG1 3.48Å; S217-I246 PolarHBondContact O-N 3.22Å; Y219-I246 HydrophobicContact CD2-CD1 3.95Å; Y219-I246 HydrophobicContact CD2-CG1 4.12Å; Y219-I246 HydrophobicContact CE2-CD1 3.98Å; Y219-I246 HydrophobicContact CE2-CG1 3.99Å; I244-I246 HydrophobicContact CG2-CD1 4.13Å
247	T	95.4	Very high	95.7	Very high	59 Å²	59	31.9 Å²	31.9	36%	0.362	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	135.4	-179.5	62.1	0	0	0	0	112	V150 A151 E152	V150-T247 PolarHBondContact O-N 2.79Å; A151-T247 WeakPolarHBondContact CA-O 3.22Å; A151-T247 WeakPolarHBondContact CA-OG1 3.32Å; A151-T247 WeakPolarHBondContact CB-OG1 3.28Å; A151-T247 PolarHBondContact N-OG1 2.78Å; E152-T247 PolarHBondContact N-O 3.38Å
248	D	96.1	Very high	95.6	Very high	23 Å²	23	32.5 Å²	32.5	12%	0.123	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-56	129.5	-177.2	-162.2	63.7	0	0	0	113.9	E152 R213 Q284 S287 N289	E152-D248 VanDerWaalsContact OE1-CA 3.23Å; E152-D248 WeakPolarHBondContact OE1-CA 3.23Å; R213-D248 WeakPolarHBondContact CD-OD1 3.48Å; R213-D248 IonicContact CZ-OD1 2.81Å; R213-D248 IonicContact NE-OD1 2.76Å; R213-D248 PolarHBondContact NE-OD1 3.17Å; R213-D248 IonicContact NH2-OD1 2.59Å; D248-Q284 HydrophobicContact CB-CB 3.85Å; D248-Q284 VanDerWaalsContact OD1-CB 3.24Å; D248-Q284 WeakPolarHBondContact OD1-CB 3.4Å; D248-Q284 PolarHBondContact OD1-N 3.13Å; D248-Q284 WeakPolarHBondContact OD2-CB 3.39Å; D248-Q284 PolarHBondContact OD2-N 3.26Å; D248-S287 PolarHBondContact OD2-OG 2.9Å; D248-N289 PolarHBondContact O-ND2 2.86Å; D248-N289 WeakPolarHBondContact OD2-CB 3.36Å; D248-N289 PolarHBondContact OD2-ND2 3.18Å
249	I	94.9	Very high	95.3	Very high	60 Å²	60	37.9 Å²	37.9	31%	0.308	21%	0.206	S	C	.	.			trans	-119.2	147.2	165.3	-68.7	-171.2	0	0	0	108.1	A151 E152 D251 A345	A151-I249 HydrophobicContact CB-CD1 3.93Å; A151-I249 HydrophobicContact CB-CG1 4.22Å; E152-I249 HydrophobicContact CG-CB 3.93Å; E152-I249 HydrophobicContact CG-CD1 4.46Å; E152-I249 HydrophobicContact CG-CG1 4.13Å; E152-I249 VanDerWaalsContact O-CD1 3.26Å; E152-I249 WeakPolarHBondContact O-CD1 3.38Å; E152-I249 PolarHBondContact OE1-N 3.39Å; I249-D251 PolarHBondContact O-N 2.82Å; I249-A345 HydrophobicContact CG2-CB 3.65Å
250	N	94.9	Very high	95.2	Very high	4 Å²	4	40 Å²	40	2%	0.021	22%	0.219	C	C	.	.	S	Bend	trans	-65.8	97.8	170.6	-174.2	-58.9	0	0	0	111.3	D283 N289 N340 L344 A345	N250-D283 VanDerWaalsContact CA-OD2 3.25Å; N250-D283 WeakPolarHBondContact CA-OD2 3.5Å; N250-N289 HydrophobicContact CB-CB 3.87Å; N250-N289 PolarHBondContact N-ND2 2.93Å; N250-N289 PolarHBondContact ND2-O 3Å; N250-N340 WeakPolarHBondContact ND2-CB 3.37Å; N250-N340 PolarHBondContact ND2-OD1 2.85Å; N250-L344 VanDerWaalsContact OD1-CA 3.25Å; N250-L344 WeakPolarHBondContact OD1-CA 3.33Å; N250-L344 WeakPolarHBondContact OD1-CG 3.28Å; N250-A345 WeakPolarHBondContact O-CB 3.48Å; N250-A345 PolarHBondContact O-N 3.3Å
251	D	93.6	Very high	95.1	Very high	63 Å²	63	40.9 Å²	40.9	34%	0.337	22%	0.222	S	C	.	.			trans	-120.9	-31.7	-171.9	164.8	-82.2	0	0	0	111.3	I249 P253 D283 I348	I249-D251 PolarHBondContact O-N 2.82Å; D251-P253 WeakPolarHBondContact O-CD 3.16Å; D251-D283 PolarHBondContact N-OD2 2.95Å; D251-I348 HydrophobicContact CB-CD1 4.19Å; D251-I348 WeakPolarHBondContact O-CD1 3.19Å
252	N	93.4	Very high	95	Very high	24 Å²	24	43.4 Å²	43.4	13%	0.128	24%	0.242	C	C	.	.	S	Bend	trans	-105.5	103.5	-180	-59.8	-97.3	0	0	0	110.7	R282 D283	N252-R282 HydrophobicContact CB-CB 3.85Å; N252-R282 HydrophobicContact CB-CG 4.42Å; N252-D283 VanDerWaalsContact CB-OD1 3.25Å; N252-D283 WeakPolarHBondContact CB-OD1 3.42Å; N252-D283 PolarHBondContact N-OD1 2.53Å; N252-D283 PolarHBondContact ND2-OD1 3.17Å
253	P	93.8	Very high	94.9	Very high	24 Å²	24	43.9 Å²	43.9	16%	0.156	25%	0.246	C	C	.	.			trans	-64.5	145.5	177.3	27.4	-35.4	0	0	0	111.7	D251 E255 L344	D251-P253 WeakPolarHBondContact O-CD 3.16Å; P253-E255 WeakPolarHBondContact O-CG 3.38Å; P253-E255 PolarHBondContact O-N 2.91Å; P253-L344 HydrophobicContact CB-CD2 4.01Å
254	P	95.2	Very high	94.8	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	26%	0.261	C	S	.	.			trans	-69.5	124.8	-173.2	22.6	-30.7	0	0	0	110.1	V279 D281 V338 N340 S354	P254-V279 HydrophobicContact CB-CG2 3.66Å; P254-D281 HydrophobicContact CB-CB 4.42Å; P254-D281 WeakPolarHBondContact CB-OD2 3.4Å; P254-V338 HydrophobicContact CB-CG1 4.2Å; P254-V338 HydrophobicContact CB-CG2 4.18Å; P254-V338 HydrophobicContact CG-CG1 4.22Å; P254-V338 HydrophobicContact CG-CG2 4.15Å; P254-N340 WeakPolarHBondContact CD-ND2 3.28Å; P254-N340 WeakPolarHBondContact CD-OD1 3.4Å; P254-S354 WeakPolarHBondContact O-CA 3.29Å; P254-S354 WeakPolarHBondContact O-CB 3.02Å; P254-S354 PolarHBondContact O-OG 2.75Å
255	E	94.2	Very high	94.7	Very high	57 Å²	57	47.2 Å²	47.2	27%	0.266	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.2	-176.8	-57.1	-150.3	117.3	0	0	110.7	P253 V280 S351 Q353	P253-E255 WeakPolarHBondContact O-CG 3.38Å; P253-E255 PolarHBondContact O-N 2.91Å; E255-V280 PolarHBondContact N-O 2.99Å; E255-V280 PolarHBondContact O-N 3.19Å; E255-S351 VanDerWaalsContact OE1-CB 3.29Å; E255-S351 WeakPolarHBondContact OE1-CB 3.43Å; E255-S351 PolarHBondContact OE1-OG 3.18Å; E255-Q353 HydrophobicContact CB-CB 3.95Å; E255-Q353 HydrophobicContact CG-CB 4.28Å
256	L	94.4	Very high	94.5	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	137.2	172.3	-61.1	169.9	0	0	0	109.6	V258 F261 V279 Y294 V338 Q353 A356	L256-V258 PolarHBondContact O-N 3.3Å; L256-F261 HydrophobicContact CB-CE2 4.14Å; L256-F261 HydrophobicContact CB-CZ 4.41Å; L256-F261 HydrophobicContact CD1-CE2 4.38Å; L256-F261 HydrophobicContact CD2-CE2 4.47Å; L256-V279 HydrophobicContact CD2-CB 4.13Å; L256-V279 HydrophobicContact CD2-CG2 4.28Å; L256-Y294 HydrophobicContact CD2-CE1 3.95Å; L256-V338 HydrophobicContact CD1-CG1 4.13Å; L256-V338 HydrophobicContact CD2-CB 4.41Å; L256-V338 HydrophobicContact CD2-CG1 3.88Å; L256-V338 HydrophobicContact CG-CG1 3.77Å; L256-Q353 WeakPolarHBondContact CB-O 3.49Å; L256-Q353 WeakPolarHBondContact CG-O 3.49Å; L256-Q353 PolarHBondContact N-O 3.35Å; L256-A356 HydrophobicContact CD1-CB 3.46Å; L256-A356 VanDerWaalsContact CD1-CB 3.46Å
257	T	93.8	Very high	94.4	Very high	75 Å²	75	46.2 Å²	46.2	46%	0.46	25%	0.254	S	S	.	.	S	Bend	trans	-62.1	-29	-175.5	61.6	0	0	0	0	112.7	T278 V280	T257-T278 WeakPolarHBondContact CG2-OG1 3.42Å; T257-T278 PolarHBondContact N-O 3.29Å; T257-T278 VanDerWaalsContact N-O 3.15Å; T257-T278 PolarHBondContact OG1-OG1 3.04Å; T257-V280 HydrophobicContact CG2-CG2 4.05Å
258	V	93.8	Very high	94.2	Very high	65 Å²	65	47.3 Å²	47.3	39%	0.394	26%	0.257	S	S	.	.			trans	-135.3	150.9	177.8	-64.4	0	0	0	0	110.9	L256 T260 F261	L256-V258 PolarHBondContact O-N 3.3Å; V258-T260 VanDerWaalsContact C-N 3.33Å; V258-F261 HydrophobicContact CG2-CD1 3.81Å; V258-F261 HydrophobicContact CG2-CD2 3.91Å; V258-F261 HydrophobicContact CG2-CE1 3.57Å; V258-F261 HydrophobicContact CG2-CE2 3.68Å; V258-F261 HydrophobicContact CG2-CG 3.98Å; V258-F261 HydrophobicContact CG2-CZ 3.5Å; V258-F261 WeakPolarHBondContact O-CE2 3.4Å
259	R	91.1	Very high	94	Very high	137 Å²	137	51.5 Å²	51.5	52%	0.517	27%	0.274	S	S	.	.	S	Bend	trans	-79.4	-15.6	179.4	-64.6	-178.7	173	-74.7	-8.4	113.9	L352 A356 G357	R259-L352 PolarHBondContact NH1-O 2.83Å; R259-A356 VanDerWaalsContact O-CA 3.31Å; R259-A356 WeakPolarHBondContact O-CA 3.35Å; R259-A356 WeakPolarHBondContact O-CB 3.42Å; R259-G357 PolarHBondContact O-N 2.79Å
260	T	94.1	Very high	93.9	Very high	103 Å²	103	51.7 Å²	51.7	63%	0.632	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	118.5	-177	49.8	0	0	0	0	108.9	V258 G357	V258-T260 VanDerWaalsContact C-N 3.33Å; T260-G357 CarbonylContact C-O 3.59Å; T260-G357 VanDerWaalsContact CA-O 3.31Å; T260-G357 WeakPolarHBondContact CA-O 3.36Å
261	F	95.8	Very high	93.7	Very high	19 Å²	19	57.7 Å²	57.7	8%	0.083	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	154.9	169.3	-65.7	-97.6	0	0	0	109.8	L256 V258 T275 L277 A356 G357 V358 T359	L256-F261 HydrophobicContact CB-CE2 4.14Å; L256-F261 HydrophobicContact CB-CZ 4.41Å; L256-F261 HydrophobicContact CD1-CE2 4.38Å; L256-F261 HydrophobicContact CD2-CE2 4.47Å; V258-F261 HydrophobicContact CG2-CD1 3.81Å; V258-F261 HydrophobicContact CG2-CD2 3.91Å; V258-F261 HydrophobicContact CG2-CE1 3.57Å; V258-F261 HydrophobicContact CG2-CE2 3.68Å; V258-F261 HydrophobicContact CG2-CG 3.98Å; V258-F261 HydrophobicContact CG2-CZ 3.5Å; V258-F261 WeakPolarHBondContact O-CE2 3.4Å; F261-T275 HydrophobicContact CB-CG2 4.37Å; F261-L277 HydrophobicContact CB-CD2 3.81Å; F261-L277 HydrophobicContact CD1-CD2 3.82Å; F261-L277 HydrophobicContact CD2-CD2 3.57Å; F261-L277 HydrophobicContact CE1-CD2 4.27Å; F261-L277 HydrophobicContact CE2-CD2 4.05Å; F261-L277 HydrophobicContact CG-CD2 3.45Å; F261-L277 VanDerWaalsContact CG-CD2 3.45Å; F261-L277 HydrophobicContact CZ-CB 4.41Å; F261-L277 HydrophobicContact CZ-CD2 4.37Å; F261-A356 HydrophobicContact CD2-CB 4Å; F261-A356 HydrophobicContact CE2-CB 4.02Å; F261-G357 PolarHBondContact N-O 2.78Å; F261-V358 HydrophobicContact CB-CG1 4.07Å; F261-V358 HydrophobicContact CB-CG2 4.26Å; F261-V358 WeakPolarHBondContact O-CA 3.18Å; F261-T359 PolarHBondContact O-N 2.97Å
262	S	95.9	Very high	93.7	Very high	92 Å²	92	57.3 Å²	57.3	64%	0.643	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	152	168.2	54.4	0	0	0	0	110.1	T275 T359	S262-T275 PolarHBondContact O-OG1 2.94Å; S262-T275 VanDerWaalsContact O-OG1 3.08Å; S262-T359 VanDerWaalsContact CA-O 3.32Å; S262-T359 WeakPolarHBondContact CA-O 3.34Å
263	G	95.1	Very high	93.7	Very high	10 Å²	10	59.1 Å²	59.1	10%	0.103	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	161.3	169.6	0	0	0	0	0	109.6	V274 T359 I360 S361	G263-V274 WeakPolarHBondContact CA-O 3.4Å; G263-T359 PolarHBondContact N-O 2.81Å; G263-I360 WeakPolarHBondContact O-CA 3.27Å; G263-S361 PolarHBondContact O-N 2.89Å; G263-S361 VanDerWaalsContact O-N 3.11Å; G263-S361 PolarHBondContact O-OG 2.77Å
264	E	95.2	Very high	93.8	Very high	113 Å²	113	58.5 Å²	58.5	53%	0.528	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	148.7	-179.8	-45.1	-139	114.5	0	0	108.6	S361 Q363	E264-S361 CarbonylContact C-O 3.54Å; E264-S361 WeakPolarHBondContact CA-O 3.48Å; E264-S361 VanDerWaalsContact CD-OG 3.3Å; E264-S361 VanDerWaalsContact CG-OG 3.28Å; E264-S361 WeakPolarHBondContact CG-OG 3.28Å; E264-S361 PolarHBondContact OE1-OG 3.23Å; E264-Q363 HydrophobicContact CB-CG 4.24Å; E264-Q363 PolarHBondContact OE2-NE2 2.77Å
265	V	95.3	Very high	93.8	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	126.9	173.5	68.3	0	0	0	0	111.9	V272 V274 V320 V324 I360 S361 V362 Q363	V265-V272 HydrophobicContact CG2-CG1 4.42Å; V265-V274 HydrophobicContact CB-CG2 4.25Å; V265-V274 HydrophobicContact CG2-CG2 4.44Å; V265-V320 HydrophobicContact CG2-CG2 3.82Å; V265-V324 HydrophobicContact CG1-CG2 4Å; V265-I360 HydrophobicContact CG1-CG2 3.82Å; V265-S361 PolarHBondContact N-O 2.89Å; V265-V362 HydrophobicContact CG1-CG2 4.5Å; V265-V362 CarbonylContact O-C 3.59Å; V265-V362 WeakPolarHBondContact O-CA 3.37Å; V265-Q363 PolarHBondContact O-N 3.28Å
266	P	93.2	Very high	93.8	Very high	33 Å²	33	59.9 Å²	59.9	21%	0.214	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	138.3	167.9	27.3	-34.8	0	0	0	110.4	K269 V365	P266-K269 HydrophobicContact CB-CG 4.19Å; P266-K269 HydrophobicContact CG-CB 4.46Å; P266-K269 HydrophobicContact CG-CG 3.76Å; P266-V365 HydrophobicContact CB-CG2 3.93Å
267	E	93.1	Very high	93.9	Very high	6 Å²	6	59.8 Å²	59.8	3%	0.028	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	168.1	177.9	73.3	-169	120.5	0	0	113.6	K269 V324 F326 V362 Q363 D364 V365	E267-K269 PolarHBondContact O-N 3.45Å; E267-V324 WeakPolarHBondContact CB-O 3.09Å; E267-F326 VanDerWaalsContact CD-CB 3.49Å; E267-F326 WeakPolarHBondContact OE1-CB 3.1Å; E267-F326 WeakPolarHBondContact OE2-CB 3.31Å; E267-F326 PolarHBondContact OE2-N 3.23Å; E267-V362 HydrophobicContact CB-CG1 3.84Å; E267-Q363 PolarHBondContact N-O 3.25Å; E267-D364 WeakPolarHBondContact OE1-CA 3.44Å; E267-V365 HydrophobicContact CG-CB 4.24Å; E267-V365 PolarHBondContact OE1-N 2.93Å
268	N	91	Very high	94	Very high	82 Å²	82	58.2 Å²	58.2	44%	0.439	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	-1.7	-174.6	-74.7	-62.3	0	0	0	116.4	V324 E367	N268-V324 PolarHBondContact N-O 2.87Å; N268-E367 PolarHBondContact ND2-OE1 2.9Å
269	K	91.3	Very high	94	Very high	110 Å²	110	56 Å²	56	48%	0.478	31%	0.305	S	S	.	.			trans	-86.4	148.6	174.8	-55.8	-47.8	-178.3	-167.8	0	112.1	P266 E267 V272 V320	P266-K269 HydrophobicContact CB-CG 4.19Å; P266-K269 HydrophobicContact CG-CB 4.46Å; P266-K269 HydrophobicContact CG-CG 3.76Å; E267-K269 PolarHBondContact O-N 3.45Å; K269-V272 HydrophobicContact CB-CG2 3.78Å; K269-V320 WeakPolarHBondContact O-CG1 3.33Å
270	V	93.4	Very high	94.2	Very high	64 Å²	64	53.5 Å²	53.5	39%	0.388	30%	0.304	S	S	.	.			trans	-133.9	157.6	175.3	-68.4	0	0	0	0	110.4	V272 P323	V270-V272 PolarHBondContact O-N 2.91Å; V270-P323 HydrophobicContact CG1-CB 4.35Å
271	N	91.8	Very high	94.2	Very high	131 Å²	131	49.3 Å²	49.3	70%	0.701	28%	0.278	S	S	*	.	S	Bend	trans	60.5	16.6	-174.2	-53.5	-61.3	0	0	0	115	V320	N271-V320 WeakPolarHBondContact CA-O 3.48Å; N271-V320 PolarHBondContact N-O 3.09Å
272	V	92.6	Very high	94.2	Very high	55 Å²	55	55.8 Å²	55.8	33%	0.333	30%	0.301	S	S	.	.			trans	-83.2	139.2	172.9	179	0	0	0	0	110	V265 K269 V270 T319 V320	V265-V272 HydrophobicContact CG2-CG1 4.42Å; K269-V272 HydrophobicContact CB-CG2 3.78Å; V270-V272 PolarHBondContact O-N 2.91Å; V272-T319 VanDerWaalsContact O-CA 3.27Å; V272-T319 WeakPolarHBondContact O-CA 3.41Å; V272-V320 PolarHBondContact O-N 3.07Å
273	V	94.1	Very high	94.2	Very high	61 Å²	61	51.4 Å²	51.4	37%	0.37	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.1	171.3	-172.7	0	0	0	0	108.8	M317 L318 T319	V273-M317 HydrophobicContact CG1-CB 4.48Å; V273-M317 HydrophobicContact CG1-CE 4.41Å; V273-M317 HydrophobicContact CG2-CE 3.67Å; V273-L318 CarbonylContact C-O 3.59Å; V273-L318 WeakPolarHBondContact CA-O 3.32Å; V273-T319 HydrophobicContact CG2-CG2 4.06Å
274	V	95	Very high	94.2	Very high	12 Å²	12	55.5 Å²	55.5	7%	0.073	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-44.7	-177.8	-177.9	0	0	0	0	111.2	G263 V265 F305 L318 V320 I360	G263-V274 WeakPolarHBondContact CA-O 3.4Å; V265-V274 HydrophobicContact CB-CG2 4.25Å; V265-V274 HydrophobicContact CG2-CG2 4.44Å; V274-F305 HydrophobicContact CG2-CD1 4.36Å; V274-F305 HydrophobicContact CG2-CE1 4.24Å; V274-L318 HydrophobicContact CB-CD2 4.17Å; V274-L318 HydrophobicContact CB-CG 4.25Å; V274-L318 HydrophobicContact CG1-CD2 4.3Å; V274-L318 PolarHBondContact N-O 3.01Å; V274-V320 HydrophobicContact CG2-CG2 3.61Å; V274-I360 HydrophobicContact CG1-CB 4.48Å; V274-I360 HydrophobicContact CG1-CD1 4.29Å; V274-I360 HydrophobicContact CG1-CG1 4.09Å; V274-I360 HydrophobicContact CG1-CG2 3.77Å
275	T	95	Very high	94.1	Very high	27 Å²	27	53.7 Å²	53.7	17%	0.166	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	157.7	178	-162.8	0	0	0	0	110.5	F261 S262 L277 L318 V358	F261-T275 HydrophobicContact CB-CG2 4.37Å; S262-T275 PolarHBondContact O-OG1 2.94Å; S262-T275 VanDerWaalsContact O-OG1 3.08Å; T275-L277 HydrophobicContact CG2-CD2 3.91Å; T275-L318 HydrophobicContact CG2-CB 4.36Å; T275-L318 HydrophobicContact CG2-CD2 4.1Å; T275-L318 PolarHBondContact O-N 2.99Å; T275-V358 HydrophobicContact CG2-CG1 3.99Å
276	N	95.5	Very high	93.9	Very high	59 Å²	59	59.3 Å²	59.3	32%	0.316	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.8	174.1	-75.7	17.6	0	0	0	110	T278 E315	N276-T278 PolarHBondContact O-N 2.76Å; N276-E315 PolarHBondContact ND2-OE2 2.9Å
277	L	95.8	Very high	94	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	89.8	-180	-55	-179.9	0	0	0	109.8	F261 T275 Y294 I307 G316 V336 V358	F261-L277 HydrophobicContact CB-CD2 3.81Å; F261-L277 HydrophobicContact CD1-CD2 3.82Å; F261-L277 HydrophobicContact CD2-CD2 3.57Å; F261-L277 HydrophobicContact CE1-CD2 4.27Å; F261-L277 HydrophobicContact CE2-CD2 4.05Å; F261-L277 HydrophobicContact CG-CD2 3.45Å; F261-L277 VanDerWaalsContact CG-CD2 3.45Å; F261-L277 HydrophobicContact CZ-CB 4.41Å; F261-L277 HydrophobicContact CZ-CD2 4.37Å; T275-L277 HydrophobicContact CG2-CD2 3.91Å; L277-Y294 HydrophobicContact CB-CD1 4.29Å; L277-Y294 HydrophobicContact CB-CE1 3.68Å; L277-Y294 HydrophobicContact CD1-CD1 3.99Å; L277-Y294 HydrophobicContact CD1-CE1 4.23Å; L277-Y294 PolarHBondContact O-OH 2.86Å; L277-I307 HydrophobicContact CD1-CD1 3.87Å; L277-I307 HydrophobicContact CD1-CG2 4.45Å; L277-G316 WeakPolarHBondContact CB-O 3.39Å; L277-G316 WeakPolarHBondContact CG-O 3.27Å; L277-G316 PolarHBondContact N-O 3.06Å; L277-G316 PolarHBondContact O-N 2.89Å; L277-G316 VanDerWaalsContact O-N 3.16Å; L277-V336 HydrophobicContact CD1-CB 4.34Å; L277-V336 HydrophobicContact CD1-CG1 3.84Å; L277-V336 HydrophobicContact CD1-CG2 4.25Å; L277-V358 HydrophobicContact CD1-CG2 4.47Å; L277-V358 HydrophobicContact CD2-CG2 3.79Å
278	T	95.5	Very high	94.1	Very high	42 Å²	42	61.5 Å²	61.5	26%	0.258	33%	0.326	S	S	.	.			trans	-70.7	133.2	-178	54.7	0	0	0	0	112.1	T257 N276 E315	T257-T278 WeakPolarHBondContact CG2-OG1 3.42Å; T257-T278 PolarHBondContact N-O 3.29Å; T257-T278 VanDerWaalsContact N-O 3.15Å; T257-T278 PolarHBondContact OG1-OG1 3.04Å; N276-T278 PolarHBondContact O-N 2.76Å; T278-E315 HydrophobicContact CG2-CG 4.11Å
279	V	95.1	Very high	94.3	Very high	20 Å²	20	58.9 Å²	58.9	12%	0.121	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.9	-175.7	68.7	0	0	0	0	110.1	P254 L256 A292 Y294 N314 V338	P254-V279 HydrophobicContact CB-CG2 3.66Å; L256-V279 HydrophobicContact CD2-CB 4.13Å; L256-V279 HydrophobicContact CD2-CG2 4.28Å; V279-A292 HydrophobicContact CG1-CB 4.27Å; V279-Y294 WeakPolarHBondContact CB-OH 3.48Å; V279-Y294 VanDerWaalsContact CG1-OH 3.27Å; V279-Y294 WeakPolarHBondContact CG1-OH 3.11Å; V279-N314 HydrophobicContact CG1-CB 3.98Å; V279-N314 WeakPolarHBondContact CG1-O 3.15Å; V279-V338 HydrophobicContact CG2-CG1 4.41Å; V279-V338 HydrophobicContact CG2-CG2 4.42Å
280	V	94.4	Very high	94.4	Very high	83 Å²	83	55.2 Å²	55.2	50%	0.503	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.6	168.5	178.1	0	0	0	0	107.6	E255 T257	E255-V280 PolarHBondContact N-O 2.99Å; E255-V280 PolarHBondContact O-N 3.19Å; T257-V280 HydrophobicContact CG2-CG2 4.05Å
281	D	95.2	Very high	94.5	Very high	15 Å²	15	54 Å²	54	8%	0.08	29%	0.287	C	S	.	.			trans	-131	147.1	172.8	-165.8	-57.8	0	0	0	106.9	P254 D283 W290 N340	P254-D281 HydrophobicContact CB-CB 4.42Å; P254-D281 WeakPolarHBondContact CB-OD2 3.4Å; D281-D283 WeakPolarHBondContact OD1-CB 3.2Å; D281-D283 PolarHBondContact OD1-N 3.07Å; D281-W290 HydrophobicContact CB-CG 4.39Å; D281-W290 PolarHBondContact O-NE1 2.75Å; D281-N340 PolarHBondContact OD2-ND2 2.86Å
282	R	94.5	Very high	94.7	Very high	155 Å²	155	47.9 Å²	47.9	59%	0.585	26%	0.255	S	S	*	.			trans	-111.4	-15.3	-171.3	-58.9	-177.6	-176.2	157.3	6.1	113.5	R213 E214 N252	R213-R282 PolarHBondContact NH2-O 3.45Å; E214-R282 HydrophobicContact CG-CB 4.04Å; N252-R282 HydrophobicContact CB-CB 3.85Å; N252-R282 HydrophobicContact CB-CG 4.42Å
283	D	95.7	Very high	94.9	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-61	172	175.5	-60.4	-9.5	0	0	0	109.9	N250 D251 N252 D281 P285 N289 W290	N250-D283 VanDerWaalsContact CA-OD2 3.25Å; N250-D283 WeakPolarHBondContact CA-OD2 3.5Å; D251-D283 PolarHBondContact N-OD2 2.95Å; N252-D283 VanDerWaalsContact CB-OD1 3.25Å; N252-D283 WeakPolarHBondContact CB-OD1 3.42Å; N252-D283 PolarHBondContact N-OD1 2.53Å; N252-D283 PolarHBondContact ND2-OD1 3.17Å; D281-D283 WeakPolarHBondContact OD1-CB 3.2Å; D281-D283 PolarHBondContact OD1-N 3.07Å; D283-P285 VanDerWaalsContact O-CD 3.27Å; D283-P285 WeakPolarHBondContact O-CD 3.49Å; D283-P285 VanDerWaalsContact O-N 3.15Å; D283-N289 HydrophobicContact CB-CB 3.9Å; D283-W290 HydrophobicContact CB-CB 4.38Å; D283-W290 VanDerWaalsContact O-CD1 3.31Å
284	Q	94.8	Very high	94.9	Very high	97 Å²	97	45.9 Å²	45.9	45%	0.453	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-59	119.2	-170.9	-179.1	175.1	-3.3	0	0	112.2	D248 H286 S287 W290	D248-Q284 HydrophobicContact CB-CB 3.85Å; D248-Q284 VanDerWaalsContact OD1-CB 3.24Å; D248-Q284 WeakPolarHBondContact OD1-CB 3.4Å; D248-Q284 PolarHBondContact OD1-N 3.13Å; D248-Q284 WeakPolarHBondContact OD2-CB 3.39Å; D248-Q284 PolarHBondContact OD2-N 3.26Å; Q284-H286 PolarHBondContact O-N 2.85Å; Q284-S287 WeakPolarHBondContact O-CB 3.2Å; Q284-S287 PolarHBondContact O-N 2.73Å; Q284-S287 PolarHBondContact O-OG 2.82Å; Q284-S287 VanDerWaalsContact O-OG 3.04Å; Q284-W290 WeakPolarHBondContact O-CB 3.32Å
285	P	93.9	Very high	94.9	Very high	75 Å²	75	53.4 Å²	53.4	49%	0.487	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	138.3	-177.5	-29.8	36.9	0	0	0	113.6	D283 S287 W290	D283-P285 VanDerWaalsContact O-CD 3.27Å; D283-P285 WeakPolarHBondContact O-CD 3.49Å; D283-P285 VanDerWaalsContact O-N 3.15Å; P285-S287 PolarHBondContact O-N 3.28Å; P285-W290 HydrophobicContact CB-CD2 4.43Å; P285-W290 HydrophobicContact CB-CZ2 4.48Å
286	H	92	Very high	95	Very high	118 Å²	118	54.1 Å²	54.1	55%	0.546	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	9	-172.5	-43	-70.3	0	0	0	115.8	Q284 W290 P311	Q284-H286 PolarHBondContact O-N 2.85Å; H286-W290 AromaticContact ND1-CZ3 3.76Å; H286-P311 PolarHBondContact ND1-O 3.49Å
287	S	94	Very high	95	Very high	15 Å²	15	55.9 Å²	55.9	11%	0.105	28%	0.283	C	S	.	.	S	Bend	trans	-77.8	159.6	168.2	91.7	0	0	0	0	111.2	D248 Q284 P285 N289 W290 N291	D248-S287 PolarHBondContact OD2-OG 2.9Å; Q284-S287 WeakPolarHBondContact O-CB 3.2Å; Q284-S287 PolarHBondContact O-N 2.73Å; Q284-S287 PolarHBondContact O-OG 2.82Å; Q284-S287 VanDerWaalsContact O-OG 3.04Å; P285-S287 PolarHBondContact O-N 3.28Å; S287-N289 PolarHBondContact O-N 2.77Å; S287-N289 WeakPolarHBondContact OG-CB 3.49Å; S287-N289 PolarHBondContact OG-N 3.15Å; S287-W290 PolarHBondContact O-N 2.99Å; S287-W290 VanDerWaalsContact O-N 3.13Å; S287-W290 PolarHBondContact OG-N 3.45Å; S287-N291 WeakPolarHBondContact O-CB 3.33Å; S287-N291 PolarHBondContact O-N 3.18Å; S287-N291 PolarHBondContact O-ND2 2.86Å; S287-N291 PolarHBondContact O-OD1 2.9Å
288	P	95.1	Very high	94.9	Very high	69 Å²	69	58.6 Å²	58.6	45%	0.448	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.9	170.1	-23.2	35	0	0	0	113.8	Q341 A342	P288-Q341 HydrophobicContact CB-CB 4.5Å; P288-Q341 HydrophobicContact CB-CG 4.48Å; P288-Q341 WeakPolarHBondContact O-CB 3.16Å; P288-Q341 PolarHBondContact O-N 3.03Å; P288-A342 HydrophobicContact CB-CB 4.29Å; P288-A342 WeakPolarHBondContact O-CB 3.33Å; P288-A342 PolarHBondContact O-N 2.8Å
289	N	94.8	Very high	94.8	Very high	27 Å²	27	58.3 Å²	58.3	14%	0.144	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-46.9	173.2	-55.7	-28.3	0	0	0	109.5	D248 N250 D283 S287 N340 A342	D248-N289 PolarHBondContact O-ND2 2.86Å; D248-N289 WeakPolarHBondContact OD2-CB 3.36Å; D248-N289 PolarHBondContact OD2-ND2 3.18Å; N250-N289 HydrophobicContact CB-CB 3.87Å; N250-N289 PolarHBondContact N-ND2 2.93Å; N250-N289 PolarHBondContact ND2-O 3Å; D283-N289 HydrophobicContact CB-CB 3.9Å; S287-N289 PolarHBondContact O-N 2.77Å; S287-N289 WeakPolarHBondContact OG-CB 3.49Å; S287-N289 PolarHBondContact OG-N 3.15Å; N289-N340 WeakPolarHBondContact O-CB 3.45Å; N289-N340 PolarHBondContact O-ND2 3.01Å; N289-A342 VanDerWaalsContact OD1-CB 3.26Å; N289-A342 WeakPolarHBondContact OD1-CB 3.41Å
290	W	95.3	Very high	94.7	Very high	34 Å²	34	58.4 Å²	58.4	13%	0.129	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-32.6	178.5	-176.4	86.3	0	0	0	114.8	D281 D283 Q284 P285 H286 S287 A292 N314	D281-W290 HydrophobicContact CB-CG 4.39Å; D281-W290 PolarHBondContact O-NE1 2.75Å; D283-W290 HydrophobicContact CB-CB 4.38Å; D283-W290 VanDerWaalsContact O-CD1 3.31Å; Q284-W290 WeakPolarHBondContact O-CB 3.32Å; P285-W290 HydrophobicContact CB-CD2 4.43Å; P285-W290 HydrophobicContact CB-CZ2 4.48Å; H286-W290 AromaticContact ND1-CZ3 3.76Å; S287-W290 PolarHBondContact O-N 2.99Å; S287-W290 VanDerWaalsContact O-N 3.13Å; S287-W290 PolarHBondContact OG-N 3.45Å; W290-A292 PolarHBondContact O-N 2.68Å; W290-N314 HydrophobicContact CE3-CB 4.41Å; W290-N314 HydrophobicContact CH2-CB 3.64Å; W290-N314 HydrophobicContact CZ2-CB 3.93Å; W290-N314 HydrophobicContact CZ3-CB 3.88Å; W290-N314 PolarHBondContact O-ND2 2.88Å
291	N	95.4	Very high	94.6	Very high	38 Å²	38	60.6 Å²	60.6	20%	0.203	32%	0.323	C	S	.	.			trans	-60.8	118.6	-173.8	-73.1	-16.3	0	0	0	112.6	S287 N340 Q341	S287-N291 WeakPolarHBondContact O-CB 3.33Å; S287-N291 PolarHBondContact O-N 3.18Å; S287-N291 PolarHBondContact O-ND2 2.86Å; S287-N291 PolarHBondContact O-OD1 2.9Å; N291-N340 CarbonylContact O-C 3.57Å; N291-N340 WeakPolarHBondContact O-CA 2.98Å; N291-Q341 HydrophobicContact CB-CB 4.03Å; N291-Q341 PolarHBondContact ND2-OE1 2.9Å; N291-Q341 PolarHBondContact O-N 2.72Å
292	A	95.7	Very high	94.5	Very high	3 Å²	3	63.2 Å²	63.2	3%	0.025	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	142	-177	0	0	0	0	0	113.3	V279 W290 Y294 T309 N314 V338	V279-A292 HydrophobicContact CG1-CB 4.27Å; W290-A292 PolarHBondContact O-N 2.68Å; A292-Y294 HydrophobicContact CB-CD2 4.36Å; A292-Y294 HydrophobicContact CB-CE2 3.66Å; A292-T309 HydrophobicContact CB-CG2 4.31Å; A292-T309 WeakPolarHBondContact O-CB 3.5Å; A292-T309 VanDerWaalsContact O-CG2 3.23Å; A292-T309 WeakPolarHBondContact O-CG2 3.23Å; A292-T309 PolarHBondContact O-OG1 3.26Å; A292-N314 WeakPolarHBondContact CB-OD1 3.44Å; A292-N314 PolarHBondContact N-OD1 3.21Å; A292-V338 HydrophobicContact CB-CG2 3.81Å
293	V	95.4	Very high	94.4	Very high	56 Å²	56	57.2 Å²	57.2	34%	0.339	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	114.7	177.5	-179.3	0	0	0	0	107.9	V338 S339 Q341	V293-V338 WeakPolarHBondContact O-CA 3.42Å; V293-S339 WeakPolarHBondContact CA-O 3.3Å; V293-S339 WeakPolarHBondContact CB-O 3.43Å; V293-S339 PolarHBondContact N-O 3.02Å; V293-S339 PolarHBondContact O-N 2.8Å; V293-Q341 HydrophobicContact CG2-CB 4.13Å
294	Y	95.7	Very high	94.4	Very high	17 Å²	17	59 Å²	59	7%	0.067	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	140.9	-176.6	-66	-102.2	0	0	0	111.3	L256 L277 V279 A292 I307 T309 N314 G316 V336 V338	L256-Y294 HydrophobicContact CD2-CE1 3.95Å; L277-Y294 HydrophobicContact CB-CD1 4.29Å; L277-Y294 HydrophobicContact CB-CE1 3.68Å; L277-Y294 HydrophobicContact CD1-CD1 3.99Å; L277-Y294 HydrophobicContact CD1-CE1 4.23Å; L277-Y294 PolarHBondContact O-OH 2.86Å; V279-Y294 WeakPolarHBondContact CB-OH 3.48Å; V279-Y294 VanDerWaalsContact CG1-OH 3.27Å; V279-Y294 WeakPolarHBondContact CG1-OH 3.11Å; A292-Y294 HydrophobicContact CB-CD2 4.36Å; A292-Y294 HydrophobicContact CB-CE2 3.66Å; Y294-I307 VanDerWaalsContact CB-CG2 3.45Å; Y294-I307 HydrophobicContact CD1-CG2 4.21Å; Y294-I307 HydrophobicContact CD2-CG2 4.26Å; Y294-I307 HydrophobicContact CG-CG2 3.74Å; Y294-T309 HydrophobicContact CE2-CG2 4.29Å; Y294-N314 PolarHBondContact OH-O 2.9Å; Y294-N314 VanDerWaalsContact OH-O 3.12Å; Y294-G316 VanDerWaalsContact CE2-CA 3.41Å; Y294-G316 VanDerWaalsContact CZ-CA 3.46Å; Y294-G316 PolarHBondContact OH-N 3.27Å; Y294-V336 HydrophobicContact CD1-CG1 4.14Å; Y294-V338 HydrophobicContact CD1-CB 4.07Å; Y294-V338 HydrophobicContact CD1-CG2 4.14Å; Y294-V338 HydrophobicContact CD2-CG2 4.34Å; Y294-V338 HydrophobicContact CE1-CB 4.08Å; Y294-V338 HydrophobicContact CE1-CG2 3.97Å; Y294-V338 HydrophobicContact CE2-CG2 4.14Å; Y294-V338 HydrophobicContact CG-CG2 4.33Å
295	R	94.8	Very high	94.5	Very high	170 Å²	170	54.9 Å²	54.9	64%	0.642	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137	130.5	173.9	-66.5	-174.4	60.1	77.9	5.2	111.3	V336 V337	R295-V336 WeakPolarHBondContact O-CA 3.32Å; R295-V337 PolarHBondContact N-O 3.12Å; R295-V337 PolarHBondContact O-N 3.03Å
296	I	96.3	Very high	94.6	Very high	43 Å²	43	53.7 Å²	53.7	22%	0.221	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	126	163.6	-55.7	168.6	0	0	0	107	F305 I307 L318 L334 V336	I296-F305 HydrophobicContact CD1-CB 3.85Å; I296-I307 HydrophobicContact CD1-CD1 4.46Å; I296-I307 HydrophobicContact CD1-CG1 4.35Å; I296-I307 HydrophobicContact CG1-CD1 3.73Å; I296-I307 HydrophobicContact CG1-CG1 4.14Å; I296-L318 HydrophobicContact CD1-CD1 4.33Å; I296-L334 HydrophobicContact CD1-CD1 4.11Å; I296-L334 HydrophobicContact CG1-CD1 4.43Å; I296-V336 HydrophobicContact CG1-CG2 4.4Å
297	V	94.9	Very high	94.8	Very high	96 Å²	96	49.2 Å²	49.2	58%	0.582	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	-33.6	-178.6	177.8	0	0	0	0	111.5	T335 V337	V297-T335 PolarHBondContact N-O 3.31Å; V297-V337 HydrophobicContact CG2-CB 4.03Å; V297-V337 HydrophobicContact CG2-CG2 3.6Å
298	S	94.8	Very high	94.8	Very high	58 Å²	58	56.7 Å²	56.7	41%	0.406	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	166.2	176.6	44.3	0	0	0	0	111.5	L334 T335	S298-L334 CarbonylContact O-C 3.6Å; S298-L334 WeakPolarHBondContact O-CA 3.43Å; S298-T335 PolarHBondContact O-N 2.88Å; S298-T335 VanDerWaalsContact OG-CB 3.25Å; S298-T335 WeakPolarHBondContact OG-CB 3.25Å; S298-T335 PolarHBondContact OG-OG1 2.9Å
299	G	92.5	Very high	94.8	Very high	35 Å²	35	55.8 Å²	55.8	36%	0.361	31%	0.308	S	S	.	.	S	Bend	trans	103	-18.1	176.4	0	0	0	0	0	115.3	M333	G299-M333 WeakPolarHBondContact CA-O 3.41Å
300	D	94.3	Very high	94.7	Very high	23 Å²	23	56.5 Å²	56.5	12%	0.123	31%	0.312	C	S	.	.			trans	-131.6	93	173.4	178.3	13.8	0	0	0	110.3	S302 G303 H304 F305 L334	D300-S302 VanDerWaalsContact C-N 3.35Å; D300-S302 PolarHBondContact OD1-N 2.87Å; D300-G303 WeakPolarHBondContact OD1-CA 3.19Å; D300-G303 PolarHBondContact OD1-N 3.21Å; D300-G303 VanDerWaalsContact OD2-CA 3.25Å; D300-G303 WeakPolarHBondContact OD2-CA 3.3Å; D300-G303 PolarHBondContact OD2-N 2.95Å; D300-H304 IonicContact OD1-CD2 2.84Å; D300-H304 PolarHBondContact OD1-N 2.82Å; D300-H304 PolarHBondContact OD2-N 2.85Å; D300-F305 HydrophobicContact CB-CD2 4.11Å; D300-F305 WeakPolarHBondContact OD2-CD2 3.48Å; D300-F305 PolarHBondContact OD2-N 2.89Å; D300-L334 HydrophobicContact CB-CD2 3.74Å
301	P	91.6	Very high	94.5	Very high	129 Å²	129	59.6 Å²	59.6	84%	0.838	34%	0.336	S	S	*	.	S	Bend	trans	-80.7	-16.1	177.4	33.3	-35	0	0	0	113.1
302	S	92.6	Very high	94.2	Very high	69 Å²	69	64 Å²	64	48%	0.483	36%	0.359	S	S	.	.	S	Bend	trans	-97.2	-18.1	-173.9	-68.2	0	0	0	0	112.8	D300 H304 K322	D300-S302 VanDerWaalsContact C-N 3.35Å; D300-S302 PolarHBondContact OD1-N 2.87Å; S302-H304 VanDerWaalsContact CB-CD2 3.45Å; S302-H304 WeakPolarHBondContact CB-CD2 3.43Å; S302-H304 VanDerWaalsContact CB-NE2 3.27Å; S302-H304 WeakPolarHBondContact CB-NE2 3.3Å; S302-K322 PolarHBondContact O-NZ 2.82Å
303	G	93.8	Very high	94	Very high	30 Å²	30	66.9 Å²	66.9	31%	0.309	38%	0.376	S	S	.	.			trans	75.5	48.7	-179	0	0	0	0	0	112.8	D300 K322	D300-G303 WeakPolarHBondContact OD1-CA 3.19Å; D300-G303 PolarHBondContact OD1-N 3.21Å; D300-G303 VanDerWaalsContact OD2-CA 3.25Å; D300-G303 WeakPolarHBondContact OD2-CA 3.3Å; D300-G303 PolarHBondContact OD2-N 2.95Å; G303-K322 WeakPolarHBondContact O-CD 3.43Å; G303-K322 WeakPolarHBondContact O-CE 3.43Å; G303-K322 WeakPolarHBondContact O-CG 3.21Å
304	H	94.5	Very high	93.9	Very high	36 Å²	36	64.4 Å²	64.4	17%	0.167	36%	0.361	C	S	.	.			trans	-76.4	-27.2	169.4	-62	-96.8	0	0	0	112.5	D300 S302 V320 V321 K322 P323 V324	D300-H304 IonicContact OD1-CD2 2.84Å; D300-H304 PolarHBondContact OD1-N 2.82Å; D300-H304 PolarHBondContact OD2-N 2.85Å; S302-H304 VanDerWaalsContact CB-CD2 3.45Å; S302-H304 WeakPolarHBondContact CB-CD2 3.43Å; S302-H304 VanDerWaalsContact CB-NE2 3.27Å; S302-H304 WeakPolarHBondContact CB-NE2 3.3Å; H304-V320 CarbonylContact O-C 3.52Å; H304-V321 VanDerWaalsContact O-CG2 3.3Å; H304-V321 WeakPolarHBondContact O-CG2 3.48Å; H304-V321 PolarHBondContact O-N 3.25Å; H304-K322 PolarHBondContact O-N 3.35Å; H304-P323 PolarHBondContact CE1-O 2.84Å; H304-P323 PolarHBondContact ND1-O 3.19Å; H304-V324 HydrophobicContact CB-CG1 3.96Å
305	F	96.4	Very high	93.9	Very high	11 Å²	11	65.9 Å²	65.9	5%	0.048	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	151.2	-174	-54.5	-83.3	0	0	0	112.6	V274 I296 D300 L318 V320 V324 F332 L334 I360	V274-F305 HydrophobicContact CG2-CD1 4.36Å; V274-F305 HydrophobicContact CG2-CE1 4.24Å; I296-F305 HydrophobicContact CD1-CB 3.85Å; D300-F305 HydrophobicContact CB-CD2 4.11Å; D300-F305 WeakPolarHBondContact OD2-CD2 3.48Å; D300-F305 PolarHBondContact OD2-N 2.89Å; F305-L318 HydrophobicContact CB-CD1 4.01Å; F305-V320 HydrophobicContact CD1-CG2 3.86Å; F305-V320 HydrophobicContact CE1-CG2 3.66Å; F305-V324 HydrophobicContact CE2-CG1 4.42Å; F305-V324 HydrophobicContact CZ-CG1 3.92Å; F305-F332 HydrophobicContact CE2-CB 4.12Å; F305-F332 AromaticContact CE2-CD1 3.81Å; F305-F332 HydrophobicContact CE2-CD1 3.81Å; F305-F332 AromaticContact CE2-CD2 3.85Å; F305-F332 HydrophobicContact CE2-CD2 3.85Å; F305-F332 HydrophobicContact CE2-CE1 4.13Å; F305-F332 HydrophobicContact CE2-CE2 4.18Å; F305-F332 AromaticContact CE2-CG 3.65Å; F305-F332 HydrophobicContact CE2-CG 3.65Å; F305-F332 HydrophobicContact CE2-CZ 4.31Å; F305-F332 HydrophobicContact CZ-CB 4.43Å; F305-F332 AromaticContact CZ-CD2 3.78Å; F305-F332 HydrophobicContact CZ-CD2 3.78Å; F305-F332 HydrophobicContact CZ-CE2 4.15Å; F305-F332 HydrophobicContact CZ-CG 4.02Å; F305-L334 HydrophobicContact CB-CD1 4.2Å; F305-L334 HydrophobicContact CD2-CD1 4.2Å; F305-L334 HydrophobicContact CD2-CD2 4.26Å; F305-L334 HydrophobicContact CG-CD1 4.16Å; F305-I360 HydrophobicContact CD1-CD1 3.77Å; F305-I360 HydrophobicContact CD2-CD1 4.3Å; F305-I360 HydrophobicContact CE1-CD1 3.4Å; F305-I360 VanDerWaalsContact CE1-CD1 3.4Å; F305-I360 HydrophobicContact CE1-CG2 4.32Å; F305-I360 HydrophobicContact CE2-CD1 4Å; F305-I360 HydrophobicContact CG-CD1 4.22Å; F305-I360 HydrophobicContact CZ-CD1 3.54Å; F305-I360 HydrophobicContact CZ-CG2 4.34Å
306	T	96.1	Very high	93.9	Very high	51 Å²	51	57.8 Å²	57.8	31%	0.313	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	162.9	166.5	-163.2	0	0	0	0	110.1	T319 V321	T306-T319 WeakPolarHBondContact CG2-OG1 3.34Å; T306-T319 PolarHBondContact N-O 2.84Å; T306-T319 PolarHBondContact O-N 3.46Å; T306-V321 HydrophobicContact CG2-CG1 3.51Å
307	I	96.8	Very high	93.9	Very high	23 Å²	23	58.5 Å²	58.5	12%	0.118	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.3	176.1	-52.8	167.3	0	0	0	108.7	L277 Y294 I296 M317 L318 V336	L277-I307 HydrophobicContact CD1-CD1 3.87Å; L277-I307 HydrophobicContact CD1-CG2 4.45Å; Y294-I307 VanDerWaalsContact CB-CG2 3.45Å; Y294-I307 HydrophobicContact CD1-CG2 4.21Å; Y294-I307 HydrophobicContact CD2-CG2 4.26Å; Y294-I307 HydrophobicContact CG-CG2 3.74Å; I296-I307 HydrophobicContact CD1-CD1 4.46Å; I296-I307 HydrophobicContact CD1-CG1 4.35Å; I296-I307 HydrophobicContact CG1-CD1 3.73Å; I296-I307 HydrophobicContact CG1-CG1 4.14Å; I307-M317 WeakPolarHBondContact CA-O 3.37Å; I307-L318 HydrophobicContact CD1-CD1 4.21Å; I307-L318 HydrophobicContact CG1-CB 4.42Å; I307-L318 HydrophobicContact CG1-CD1 3.56Å; I307-V336 HydrophobicContact CD1-CB 4.28Å; I307-V336 HydrophobicContact CD1-CG1 3.5Å; I307-V336 VanDerWaalsContact CD1-CG1 3.5Å; I307-V336 HydrophobicContact CD1-CG2 3.71Å
308	R	93.8	Very high	94	Very high	173 Å²	173	54 Å²	54	65%	0.653	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.7	174.9	-63.9	-179.6	179.4	-120.6	2.7	109.5	M317	R308-M317 PolarHBondContact N-O 2.84Å; R308-M317 PolarHBondContact O-N 3.44Å
309	T	95.2	Very high	94	Very high	50 Å²	50	51.9 Å²	51.9	31%	0.307	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	131.4	172.6	-46.3	0	0	0	0	110.1	A292 Y294 E315	A292-T309 HydrophobicContact CB-CG2 4.31Å; A292-T309 WeakPolarHBondContact O-CB 3.5Å; A292-T309 VanDerWaalsContact O-CG2 3.23Å; A292-T309 WeakPolarHBondContact O-CG2 3.23Å; A292-T309 PolarHBondContact O-OG1 3.26Å; Y294-T309 HydrophobicContact CE2-CG2 4.29Å; T309-E315 CarbonylContact C-O 3.52Å; T309-E315 WeakPolarHBondContact CA-O 3.41Å
310	N	93.4	Very high	94.2	Very high	42 Å²	42	50.2 Å²	50.2	23%	0.225	28%	0.281	C	S	.	.			trans	-78	118.3	166.7	-179.5	-27.2	0	0	0	109.2	I312 T313 N314 E315 M317	N310-I312 PolarHBondContact O-N 2.91Å; N310-I312 VanDerWaalsContact O-N 3.14Å; N310-I312 PolarHBondContact OD1-N 3.24Å; N310-T313 WeakPolarHBondContact CB-OG1 3.22Å; N310-T313 VanDerWaalsContact CG-OG1 3.23Å; N310-T313 PolarHBondContact ND2-OG1 3.39Å; N310-T313 PolarHBondContact OD1-N 3.41Å; N310-N314 WeakPolarHBondContact O-CA 3.33Å; N310-N314 PolarHBondContact O-N 3.1Å; N310-E315 PolarHBondContact N-O 2.99Å; N310-M317 HydrophobicContact CB-SD 4.46Å
311	P	89.8	Confident	94.2	Very high	98 Å²	98	52 Å²	52	64%	0.636	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-10.9	-174.2	29.3	-36.3	0	0	0	114.6	H286	H286-P311 PolarHBondContact ND1-O 3.49Å
312	I	89.1	Confident	94.3	Very high	131 Å²	131	50.7 Å²	50.7	67%	0.672	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-47.6	179.1	-56.5	176.9	0	0	0	110.7	N310	N310-I312 PolarHBondContact O-N 2.91Å; N310-I312 VanDerWaalsContact O-N 3.14Å; N310-I312 PolarHBondContact OD1-N 3.24Å
313	T	92	Very high	94.3	Very high	63 Å²	63	50.4 Å²	50.4	39%	0.387	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-6.2	-175.4	61.3	0	0	0	0	114.2	N310 E315	N310-T313 WeakPolarHBondContact CB-OG1 3.22Å; N310-T313 VanDerWaalsContact CG-OG1 3.23Å; N310-T313 PolarHBondContact ND2-OG1 3.39Å; N310-T313 PolarHBondContact OD1-N 3.41Å; T313-E315 PolarHBondContact O-N 3.07Å; T313-E315 VanDerWaalsContact O-N 3.1Å; T313-E315 WeakPolarHBondContact OG1-CG 3.3Å
314	N	94.6	Very high	94.3	Very high	4 Å²	4	49 Å²	49	2%	0.021	26%	0.256	C	S	.	.			trans	62.7	0.1	-170.7	-138.3	16.4	0	0	0	115.2	V279 W290 A292 Y294 N310	V279-N314 HydrophobicContact CG1-CB 3.98Å; V279-N314 WeakPolarHBondContact CG1-O 3.15Å; W290-N314 HydrophobicContact CE3-CB 4.41Å; W290-N314 HydrophobicContact CH2-CB 3.64Å; W290-N314 HydrophobicContact CZ2-CB 3.93Å; W290-N314 HydrophobicContact CZ3-CB 3.88Å; W290-N314 PolarHBondContact O-ND2 2.88Å; A292-N314 WeakPolarHBondContact CB-OD1 3.44Å; A292-N314 PolarHBondContact N-OD1 3.21Å; Y294-N314 PolarHBondContact OH-O 2.9Å; Y294-N314 VanDerWaalsContact OH-O 3.12Å; N310-N314 WeakPolarHBondContact O-CA 3.33Å; N310-N314 PolarHBondContact O-N 3.1Å
315	E	95.1	Very high	94.2	Very high	48 Å²	48	50.9 Å²	50.9	22%	0.224	27%	0.267	C	S	.	.			trans	-69.1	139	-175.2	-65.7	177	174	0	0	112.8	N276 T278 T309 N310 T313 M317	N276-E315 PolarHBondContact ND2-OE2 2.9Å; T278-E315 HydrophobicContact CG2-CG 4.11Å; T309-E315 CarbonylContact C-O 3.52Å; T309-E315 WeakPolarHBondContact CA-O 3.41Å; N310-E315 PolarHBondContact N-O 2.99Å; T313-E315 PolarHBondContact O-N 3.07Å; T313-E315 VanDerWaalsContact O-N 3.1Å; T313-E315 WeakPolarHBondContact OG1-CG 3.3Å; E315-M317 PolarHBondContact O-N 2.82Å
316	G	95.4	Very high	94.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	99.9	173	0	0	0	0	0	111.2	L277 Y294 L318	L277-G316 WeakPolarHBondContact CB-O 3.39Å; L277-G316 WeakPolarHBondContact CG-O 3.27Å; L277-G316 PolarHBondContact N-O 3.06Å; L277-G316 PolarHBondContact O-N 2.89Å; L277-G316 VanDerWaalsContact O-N 3.16Å; Y294-G316 VanDerWaalsContact CE2-CA 3.41Å; Y294-G316 VanDerWaalsContact CZ-CA 3.46Å; Y294-G316 PolarHBondContact OH-N 3.27Å; G316-L318 PolarHBondContact O-N 3.06Å
317	M	95.6	Very high	93.8	Very high	59 Å²	59	51.3 Å²	51.3	29%	0.291	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	108.8	173.7	-62.7	175.8	64.9	0	0	109.4	V273 I307 R308 N310 E315 T319	V273-M317 HydrophobicContact CG1-CB 4.48Å; V273-M317 HydrophobicContact CG1-CE 4.41Å; V273-M317 HydrophobicContact CG2-CE 3.67Å; I307-M317 WeakPolarHBondContact CA-O 3.37Å; R308-M317 PolarHBondContact N-O 2.84Å; R308-M317 PolarHBondContact O-N 3.44Å; N310-M317 HydrophobicContact CB-SD 4.46Å; E315-M317 PolarHBondContact O-N 2.82Å; M317-T319 HydrophobicContact CB-CG2 4.4Å
318	L	96.6	Very high	93.4	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	118.9	174.3	178.5	68.3	0	0	0	109	V273 V274 T275 I296 F305 I307 G316 L334 V358 I360	V273-L318 CarbonylContact C-O 3.59Å; V273-L318 WeakPolarHBondContact CA-O 3.32Å; V274-L318 HydrophobicContact CB-CD2 4.17Å; V274-L318 HydrophobicContact CB-CG 4.25Å; V274-L318 HydrophobicContact CG1-CD2 4.3Å; V274-L318 PolarHBondContact N-O 3.01Å; T275-L318 HydrophobicContact CG2-CB 4.36Å; T275-L318 HydrophobicContact CG2-CD2 4.1Å; T275-L318 PolarHBondContact O-N 2.99Å; I296-L318 HydrophobicContact CD1-CD1 4.33Å; F305-L318 HydrophobicContact CB-CD1 4.01Å; I307-L318 HydrophobicContact CD1-CD1 4.21Å; I307-L318 HydrophobicContact CG1-CB 4.42Å; I307-L318 HydrophobicContact CG1-CD1 3.56Å; G316-L318 PolarHBondContact O-N 3.06Å; L318-L334 HydrophobicContact CD1-CD1 3.96Å; L318-L334 HydrophobicContact CD2-CD1 4.22Å; L318-V358 HydrophobicContact CD2-CG1 3.8Å; L318-I360 HydrophobicContact CD2-CD1 3.91Å; L318-I360 HydrophobicContact CD2-CG1 4.44Å
319	T	95.6	Very high	93.3	Very high	14 Å²	14	52 Å²	52	9%	0.086	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.5	-174.4	69	0	0	0	0	112.8	V272 V273 T306 M317	V272-T319 VanDerWaalsContact O-CA 3.27Å; V272-T319 WeakPolarHBondContact O-CA 3.41Å; V273-T319 HydrophobicContact CG2-CG2 4.06Å; T306-T319 WeakPolarHBondContact CG2-OG1 3.34Å; T306-T319 PolarHBondContact N-O 2.84Å; T306-T319 PolarHBondContact O-N 3.46Å; M317-T319 HydrophobicContact CB-CG2 4.4Å
320	V	95.9	Very high	93.1	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	130.4	174.7	-177.1	0	0	0	0	111.1	V265 K269 N271 V272 V274 H304 F305 K322	V265-V320 HydrophobicContact CG2-CG2 3.82Å; K269-V320 WeakPolarHBondContact O-CG1 3.33Å; N271-V320 WeakPolarHBondContact CA-O 3.48Å; N271-V320 PolarHBondContact N-O 3.09Å; V272-V320 PolarHBondContact O-N 3.07Å; V274-V320 HydrophobicContact CG2-CG2 3.61Å; H304-V320 CarbonylContact O-C 3.52Å; F305-V320 HydrophobicContact CD1-CG2 3.86Å; F305-V320 HydrophobicContact CE1-CG2 3.66Å; V320-K322 WeakPolarHBondContact CG1-O 3.13Å
321	V	94.9	Very high	93.1	Very high	60 Å²	60	56.9 Å²	56.9	36%	0.364	30%	0.302	S	S	.	.	S	Bend	trans	-119.4	-14.6	-179.6	-70.9	0	0	0	0	114.1	H304 T306	H304-V321 VanDerWaalsContact O-CG2 3.3Å; H304-V321 WeakPolarHBondContact O-CG2 3.48Å; H304-V321 PolarHBondContact O-N 3.25Å; T306-V321 HydrophobicContact CG2-CG1 3.51Å
322	K	94	Very high	93.4	Very high	103 Å²	103	53 Å²	53	45%	0.448	28%	0.275	S	S	.	.	S	Bend	trans	-131	144	165.2	-53.7	178.4	-173.7	174.6	0	107.9	S302 G303 H304 V320	S302-K322 PolarHBondContact O-NZ 2.82Å; G303-K322 WeakPolarHBondContact O-CD 3.43Å; G303-K322 WeakPolarHBondContact O-CE 3.43Å; G303-K322 WeakPolarHBondContact O-CG 3.21Å; H304-K322 PolarHBondContact O-N 3.35Å; V320-K322 WeakPolarHBondContact CG1-O 3.13Å
323	P	92.9	Very high	93.7	Very high	63 Å²	63	53.3 Å²	53.3	41%	0.409	28%	0.276	S	S	.	.			trans	-54.6	145.7	178.2	25.5	-34.8	0	0	0	110.4	V270 H304	V270-P323 HydrophobicContact CG1-CB 4.35Å; H304-P323 PolarHBondContact CE1-O 2.84Å; H304-P323 PolarHBondContact ND1-O 3.19Å
324	V	93.8	Very high	93.9	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	26%	0.257	C	S	.	.			trans	-101.4	162.3	164.8	-62.8	0	0	0	0	108.8	V265 E267 N268 H304 F305 F332 V362	V265-V324 HydrophobicContact CG1-CG2 4Å; E267-V324 WeakPolarHBondContact CB-O 3.09Å; N268-V324 PolarHBondContact N-O 2.87Å; H304-V324 HydrophobicContact CB-CG1 3.96Å; F305-V324 HydrophobicContact CE2-CG1 4.42Å; F305-V324 HydrophobicContact CZ-CG1 3.92Å; V324-F332 HydrophobicContact CB-CE2 4.12Å; V324-F332 HydrophobicContact CG1-CE2 3.76Å; V324-F332 HydrophobicContact CG1-CZ 4Å; V324-V362 HydrophobicContact CB-CG2 4.38Å; V324-V362 HydrophobicContact CG2-CG1 3.93Å; V324-V362 HydrophobicContact CG2-CG2 3.97Å
325	D	92.2	Very high	94	Very high	75 Å²	75	52.3 Å²	52.3	40%	0.401	27%	0.269	S	S	.	.			trans	-136.5	120.2	-167.9	157.1	-20.5	0	0	0	105.2	E327 M328 N329	D325-E327 WeakPolarHBondContact OD1-CB 3.06Å; D325-E327 PolarHBondContact OD1-N 2.83Å; D325-M328 HydrophobicContact CB-CB 4.34Å; D325-M328 VanDerWaalsContact CG-CB 3.5Å; D325-M328 WeakPolarHBondContact OD1-CB 3.47Å; D325-M328 PolarHBondContact OD1-N 2.82Å; D325-N329 PolarHBondContact O-N 3.4Å
326	F	92.6	Very high	94	Very high	25 Å²	25	50 Å²	50	11%	0.11	26%	0.259	C	S	.	.	H	α-helix	trans	-72.5	-49.4	-172.7	179.7	-101.4	0	0	0	111.2	E267 M328 N329 R330 V362 D364 F401	E267-F326 VanDerWaalsContact CD-CB 3.49Å; E267-F326 WeakPolarHBondContact OE1-CB 3.1Å; E267-F326 WeakPolarHBondContact OE2-CB 3.31Å; E267-F326 PolarHBondContact OE2-N 3.23Å; F326-M328 PolarHBondContact O-N 3.19Å; F326-M328 VanDerWaalsContact O-N 3.15Å; F326-N329 CarbonylContact O-C 3.58Å; F326-N329 PolarHBondContact O-N 2.94Å; F326-N329 VanDerWaalsContact O-N 3.16Å; F326-R330 HydrophobicContact CD1-CG 4Å; F326-R330 HydrophobicContact CD2-CB 3.92Å; F326-R330 HydrophobicContact CD2-CG 3.72Å; F326-R330 HydrophobicContact CE1-CG 3.86Å; F326-R330 HydrophobicContact CE2-CB 3.68Å; F326-R330 HydrophobicContact CE2-CG 3.56Å; F326-R330 HydrophobicContact CG-CG 3.94Å; F326-R330 HydrophobicContact CZ-CB 4.18Å; F326-R330 VanDerWaalsContact CZ-CD 3.49Å; F326-R330 HydrophobicContact CZ-CG 3.63Å; F326-R330 WeakPolarHBondContact O-CG 3.25Å; F326-R330 PolarHBondContact O-N 2.89Å; F326-V362 HydrophobicContact CB-CG1 3.99Å; F326-V362 HydrophobicContact CD2-CB 4.02Å; F326-V362 HydrophobicContact CD2-CG1 4.02Å; F326-V362 WeakPolarHBondContact CD2-O 3.19Å; F326-V362 WeakPolarHBondContact CE2-O 3.33Å; F326-D364 HydrophobicContact CD1-CB 3.86Å; F326-D364 HydrophobicContact CD2-CB 4.11Å; F326-D364 HydrophobicContact CE1-CB 3.7Å; F326-D364 WeakPolarHBondContact CE1-OD2 3.49Å; F326-D364 HydrophobicContact CE2-CB 3.97Å; F326-D364 HydrophobicContact CG-CB 4.06Å; F326-D364 HydrophobicContact CZ-CB 3.77Å; F326-F401 AromaticContact CD1-CD2 3.91Å; F326-F401 HydrophobicContact CD1-CD2 3.91Å; F326-F401 HydrophobicContact CE1-CB 4.16Å; F326-F401 AromaticContact CE1-CD2 3.57Å; F326-F401 HydrophobicContact CE1-CD2 3.57Å; F326-F401 HydrophobicContact CE1-CE2 4.35Å; F326-F401 HydrophobicContact CE1-CG 4.09Å
327	E	90.5	Very high	94	Very high	45 Å²	45	52.3 Å²	52.3	21%	0.21	27%	0.273	C	S	.	.	H	α-helix	trans	-43.6	-43.9	173	-89.9	37.7	-122.2	0	0	112.6	D325 P398 H400 F401	D325-E327 WeakPolarHBondContact OD1-CB 3.06Å; D325-E327 PolarHBondContact OD1-N 2.83Å; E327-P398 WeakPolarHBondContact CG-O 3.44Å; E327-H400 HydrophobicContact CG-CB 4.33Å; E327-H400 PolarHBondContact OE1-N 2.84Å; E327-F401 VanDerWaalsContact OE1-CD2 3.27Å; E327-F401 WeakPolarHBondContact OE1-CD2 3.35Å
328	M	89.6	Confident	94	Very high	143 Å²	143	49.6 Å²	49.6	70%	0.704	26%	0.259	S	S	*	.	H	α-helix	trans	-83.5	-46.6	178.6	-161.7	-170.5	-168.4	0	0	112.7	D325 F326	D325-M328 HydrophobicContact CB-CB 4.34Å; D325-M328 VanDerWaalsContact CG-CB 3.5Å; D325-M328 WeakPolarHBondContact OD1-CB 3.47Å; D325-M328 PolarHBondContact OD1-N 2.82Å; F326-M328 PolarHBondContact O-N 3.19Å; F326-M328 VanDerWaalsContact O-N 3.15Å
329	N	90.5	Very high	93.9	Very high	68 Å²	68	51.8 Å²	51.8	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-145.9	72.4	-173.4	-71.1	-74	0	0	0	114.3	D325 F326 A331 F332 V362	D325-N329 PolarHBondContact O-N 3.4Å; F326-N329 CarbonylContact O-C 3.58Å; F326-N329 PolarHBondContact O-N 2.94Å; F326-N329 VanDerWaalsContact O-N 3.16Å; N329-A331 PolarHBondContact O-N 3.15Å; N329-F332 HydrophobicContact CB-CE1 4.26Å; N329-F332 HydrophobicContact CB-CE2 3.9Å; N329-F332 HydrophobicContact CB-CZ 3.65Å; N329-V362 VanDerWaalsContact O-CG2 3.29Å; N329-V362 WeakPolarHBondContact O-CG2 3.45Å
330	R	91.7	Very high	93.8	Very high	133 Å²	133	51.5 Å²	51.5	50%	0.502	27%	0.273	S	S	.	.	S	Bend	trans	-47.1	-20.3	173.8	-55.7	-174.5	-68	-168.1	-0.9	117.2	F326 V362 F401	F326-R330 HydrophobicContact CD1-CG 4Å; F326-R330 HydrophobicContact CD2-CB 3.92Å; F326-R330 HydrophobicContact CD2-CG 3.72Å; F326-R330 HydrophobicContact CE1-CG 3.86Å; F326-R330 HydrophobicContact CE2-CB 3.68Å; F326-R330 HydrophobicContact CE2-CG 3.56Å; F326-R330 HydrophobicContact CG-CG 3.94Å; F326-R330 HydrophobicContact CZ-CB 4.18Å; F326-R330 VanDerWaalsContact CZ-CD 3.49Å; F326-R330 HydrophobicContact CZ-CG 3.63Å; F326-R330 WeakPolarHBondContact O-CG 3.25Å; F326-R330 PolarHBondContact O-N 2.89Å; R330-V362 PolarHBondContact O-N 2.8Å; R330-F401 HydrophobicContact CG-CE2 4.43Å
331	A	93.6	Very high	93.8	Very high	62 Å²	62	57.3 Å²	57.3	51%	0.512	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	146.1	173.8	0	0	0	0	0	113	N329 I360	N329-A331 PolarHBondContact O-N 3.15Å; A331-I360 CarbonylContact C-O 3.39Å; A331-I360 WeakPolarHBondContact CA-O 3.45Å; A331-I360 WeakPolarHBondContact CB-O 3.27Å
332	F	95	Very high	93.7	Very high	17 Å²	17	55.6 Å²	55.6	8%	0.075	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.1	172.3	-64	-99.1	0	0	0	110.6	F305 V324 N329 L334 I360 V362	F305-F332 HydrophobicContact CE2-CB 4.12Å; F305-F332 AromaticContact CE2-CD1 3.81Å; F305-F332 HydrophobicContact CE2-CD1 3.81Å; F305-F332 AromaticContact CE2-CD2 3.85Å; F305-F332 HydrophobicContact CE2-CD2 3.85Å; F305-F332 HydrophobicContact CE2-CE1 4.13Å; F305-F332 HydrophobicContact CE2-CE2 4.18Å; F305-F332 AromaticContact CE2-CG 3.65Å; F305-F332 HydrophobicContact CE2-CG 3.65Å; F305-F332 HydrophobicContact CE2-CZ 4.31Å; F305-F332 HydrophobicContact CZ-CB 4.43Å; F305-F332 AromaticContact CZ-CD2 3.78Å; F305-F332 HydrophobicContact CZ-CD2 3.78Å; F305-F332 HydrophobicContact CZ-CE2 4.15Å; F305-F332 HydrophobicContact CZ-CG 4.02Å; V324-F332 HydrophobicContact CB-CE2 4.12Å; V324-F332 HydrophobicContact CG1-CE2 3.76Å; V324-F332 HydrophobicContact CG1-CZ 4Å; N329-F332 HydrophobicContact CB-CE1 4.26Å; N329-F332 HydrophobicContact CB-CE2 3.9Å; N329-F332 HydrophobicContact CB-CZ 3.65Å; F332-L334 HydrophobicContact CB-CD2 4.31Å; F332-I360 HydrophobicContact CB-CB 4.26Å; F332-I360 HydrophobicContact CB-CD1 4.39Å; F332-I360 PolarHBondContact N-O 3.39Å; F332-I360 PolarHBondContact O-N 2.9Å; F332-V362 HydrophobicContact CD2-CG2 4.07Å; F332-V362 HydrophobicContact CE2-CG2 3.92Å
333	M	95.4	Very high	93.6	Very high	137 Å²	137	59.3 Å²	59.3	68%	0.675	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	90.9	174.3	-172.1	-176.4	71.3	0	0	109.3	G299 V358	G299-M333 WeakPolarHBondContact CA-O 3.41Å; M333-V358 CarbonylContact C-O 3.52Å
334	L	96.2	Very high	93.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	151	-179.9	-49.6	-171.6	0	0	0	111	I296 S298 D300 F305 L318 F332 V336 G357 V358 I360	I296-L334 HydrophobicContact CD1-CD1 4.11Å; I296-L334 HydrophobicContact CG1-CD1 4.43Å; S298-L334 CarbonylContact O-C 3.6Å; S298-L334 WeakPolarHBondContact O-CA 3.43Å; D300-L334 HydrophobicContact CB-CD2 3.74Å; F305-L334 HydrophobicContact CB-CD1 4.2Å; F305-L334 HydrophobicContact CD2-CD1 4.2Å; F305-L334 HydrophobicContact CD2-CD2 4.26Å; F305-L334 HydrophobicContact CG-CD1 4.16Å; L318-L334 HydrophobicContact CD1-CD1 3.96Å; L318-L334 HydrophobicContact CD2-CD1 4.22Å; F332-L334 HydrophobicContact CB-CD2 4.31Å; L334-V336 HydrophobicContact CB-CG2 4.38Å; L334-G357 CarbonylContact O-C 3.56Å; L334-G357 WeakPolarHBondContact O-CA 3.17Å; L334-V358 HydrophobicContact CB-CB 4.23Å; L334-V358 PolarHBondContact N-O 3.31Å; L334-V358 PolarHBondContact O-N 2.84Å; L334-I360 HydrophobicContact CD1-CD1 3.78Å; L334-I360 HydrophobicContact CG-CD1 4.02Å
335	T	96	Very high	93.5	Very high	45 Å²	45	59.8 Å²	59.8	28%	0.276	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	116.8	163.6	-46	0	0	0	0	107.8	V297 S298 T355	V297-T335 PolarHBondContact N-O 3.31Å; S298-T335 PolarHBondContact O-N 2.88Å; S298-T335 VanDerWaalsContact OG-CB 3.25Å; S298-T335 WeakPolarHBondContact OG-CB 3.25Å; S298-T335 PolarHBondContact OG-OG1 2.9Å; T335-T355 HydrophobicContact CG2-CG2 3.9Å
336	V	95.9	Very high	93.2	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.9	-177.3	180	0	0	0	0	109.3	L277 Y294 R295 I296 I307 L334 T355 A356 V358	L277-V336 HydrophobicContact CD1-CB 4.34Å; L277-V336 HydrophobicContact CD1-CG1 3.84Å; L277-V336 HydrophobicContact CD1-CG2 4.25Å; Y294-V336 HydrophobicContact CD1-CG1 4.14Å; R295-V336 WeakPolarHBondContact O-CA 3.32Å; I296-V336 HydrophobicContact CG1-CG2 4.4Å; I307-V336 HydrophobicContact CD1-CB 4.28Å; I307-V336 HydrophobicContact CD1-CG1 3.5Å; I307-V336 VanDerWaalsContact CD1-CG1 3.5Å; I307-V336 HydrophobicContact CD1-CG2 3.71Å; L334-V336 HydrophobicContact CB-CG2 4.38Å; V336-T355 WeakPolarHBondContact O-CA 3.48Å; V336-A356 PolarHBondContact N-O 3.3Å; V336-A356 PolarHBondContact O-N 2.93Å; V336-V358 HydrophobicContact CB-CG2 4.44Å; V336-V358 HydrophobicContact CG2-CG2 3.75Å
337	V	95.1	Very high	92.7	Very high	48 Å²	48	65 Å²	65	29%	0.291	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.8	169.4	175.7	0	0	0	0	108.4	R295 V297 S354 T355	R295-V337 PolarHBondContact N-O 3.12Å; R295-V337 PolarHBondContact O-N 3.03Å; V297-V337 HydrophobicContact CG2-CB 4.03Å; V297-V337 HydrophobicContact CG2-CG2 3.6Å; V337-S354 WeakPolarHBondContact CA-O 3.19Å; V337-T355 HydrophobicContact CG2-CG2 4.04Å
338	V	95.5	Very high	92.6	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.012	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.1	167.7	63.8	0	0	0	0	109.1	P254 L256 V279 A292 V293 Y294 S354	P254-V338 HydrophobicContact CB-CG1 4.2Å; P254-V338 HydrophobicContact CB-CG2 4.18Å; P254-V338 HydrophobicContact CG-CG1 4.22Å; P254-V338 HydrophobicContact CG-CG2 4.15Å; L256-V338 HydrophobicContact CD1-CG1 4.13Å; L256-V338 HydrophobicContact CD2-CB 4.41Å; L256-V338 HydrophobicContact CD2-CG1 3.88Å; L256-V338 HydrophobicContact CG-CG1 3.77Å; V279-V338 HydrophobicContact CG2-CG1 4.41Å; V279-V338 HydrophobicContact CG2-CG2 4.42Å; A292-V338 HydrophobicContact CB-CG2 3.81Å; V293-V338 WeakPolarHBondContact O-CA 3.42Å; Y294-V338 HydrophobicContact CD1-CB 4.07Å; Y294-V338 HydrophobicContact CD1-CG2 4.14Å; Y294-V338 HydrophobicContact CD2-CG2 4.34Å; Y294-V338 HydrophobicContact CE1-CB 4.08Å; Y294-V338 HydrophobicContact CE1-CG2 3.97Å; Y294-V338 HydrophobicContact CE2-CG2 4.14Å; Y294-V338 HydrophobicContact CG-CG2 4.33Å; V338-S354 PolarHBondContact N-O 3.03Å; V338-S354 WeakPolarHBondContact O-CB 3.34Å
339	S	94.6	Very high	92.3	Very high	47 Å²	47	65.9 Å²	65.9	33%	0.329	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	167.1	170.7	64.2	0	0	0	0	108.7	V293	V293-S339 WeakPolarHBondContact CA-O 3.3Å; V293-S339 WeakPolarHBondContact CB-O 3.43Å; V293-S339 PolarHBondContact N-O 3.02Å; V293-S339 PolarHBondContact O-N 2.8Å
340	N	94.9	Very high	91.9	Very high	8 Å²	8	66.8 Å²	66.8	4%	0.043	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	171.4	175.6	-48.1	93.5	0	0	0	111.9	N250 P254 D281 N289 N291	N250-N340 WeakPolarHBondContact ND2-CB 3.37Å; N250-N340 PolarHBondContact ND2-OD1 2.85Å; P254-N340 WeakPolarHBondContact CD-ND2 3.28Å; P254-N340 WeakPolarHBondContact CD-OD1 3.4Å; D281-N340 PolarHBondContact OD2-ND2 2.86Å; N289-N340 WeakPolarHBondContact O-CB 3.45Å; N289-N340 PolarHBondContact O-ND2 3.01Å; N291-N340 CarbonylContact O-C 3.57Å; N291-N340 WeakPolarHBondContact O-CA 2.98Å
341	Q	94.3	Very high	91.4	Very high	121 Å²	121	61.5 Å²	61.5	57%	0.565	37%	0.37	S	S	*	.	S	Bend	trans	-73.3	-36.7	168.6	-177.3	-176.6	2.4	0	0	111.3	P288 N291 V293	P288-Q341 HydrophobicContact CB-CB 4.5Å; P288-Q341 HydrophobicContact CB-CG 4.48Å; P288-Q341 WeakPolarHBondContact O-CB 3.16Å; P288-Q341 PolarHBondContact O-N 3.03Å; N291-Q341 HydrophobicContact CB-CB 4.03Å; N291-Q341 PolarHBondContact ND2-OE1 2.9Å; N291-Q341 PolarHBondContact O-N 2.72Å; V293-Q341 HydrophobicContact CG2-CB 4.13Å
342	A	93.9	Very high	90.9	Very high	24 Å²	24	65.5 Å²	65.5	20%	0.198	38%	0.381	C	S	.	.	S	Bend	trans	-82.1	166.8	168.5	0	0	0	0	0	112.1	P288 N289	P288-A342 HydrophobicContact CB-CB 4.29Å; P288-A342 WeakPolarHBondContact O-CB 3.33Å; P288-A342 PolarHBondContact O-N 2.8Å; N289-A342 VanDerWaalsContact OD1-CB 3.26Å; N289-A342 WeakPolarHBondContact OD1-CB 3.41Å
343	H	92.3	Very high	90.4	Very high	181 Å²	181	67.9 Å²	67.9	84%	0.838	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-87.3	137.7	171.6	-65.9	-58.6	0	0	0	111.1
344	L	92.9	Very high	90.2	Very high	46 Å²	46	61.5 Å²	61.5	24%	0.241	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-55.3	143.7	173.5	-72	63.2	0	0	0	111.9	N250 P253	N250-L344 VanDerWaalsContact OD1-CA 3.25Å; N250-L344 WeakPolarHBondContact OD1-CA 3.33Å; N250-L344 WeakPolarHBondContact OD1-CG 3.28Å; P253-L344 HydrophobicContact CB-CD2 4.01Å
345	A	90.1	Very high	90.1	Very high	28 Å²	28	64.4 Å²	64.4	23%	0.231	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-63.5	153	-179.6	0	0	0	0	0	113.4	I249 N250 G347 I348	I249-A345 HydrophobicContact CG2-CB 3.65Å; N250-A345 WeakPolarHBondContact O-CB 3.48Å; N250-A345 PolarHBondContact O-N 3.3Å; A345-G347 PolarHBondContact O-N 3.39Å; A345-G347 VanDerWaalsContact O-N 3.12Å; A345-I348 HydrophobicContact CB-CD1 3.97Å; A345-I348 PolarHBondContact O-N 2.8Å; A345-I348 VanDerWaalsContact O-N 3.11Å
346	S	85.5	Confident	90	Very high	135 Å²	135	62.4 Å²	62.4	94%	0.944	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	112.9	-172.9	-70.2	0	0	0	0	112.6
347	G	83.1	Confident	90	Very high	76 Å²	76	63.5 Å²	63.5	78%	0.784	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.1	-14.1	-180	0	0	0	0	0	113.9	A345	A345-G347 PolarHBondContact O-N 3.39Å; A345-G347 VanDerWaalsContact O-N 3.12Å
348	I	87.4	Confident	90.1	Very high	49 Å²	49	61.2 Å²	61.2	25%	0.251	37%	0.365	S	S	.	.			trans	-83.7	150.3	176.2	-54.5	-176.5	0	0	0	109	D251 A345	D251-I348 HydrophobicContact CB-CD1 4.19Å; D251-I348 WeakPolarHBondContact O-CD1 3.19Å; A345-I348 HydrophobicContact CB-CD1 3.97Å; A345-I348 PolarHBondContact O-N 2.8Å; A345-I348 VanDerWaalsContact O-N 3.11Å
349	Q	84.5	Confident	90.1	Very high	156 Å²	156	64.6 Å²	64.6	73%	0.729	39%	0.386	S	S	*	.			trans	-120.4	142.7	-179.7	-60.5	-66.9	-92.6	0	0	109.1	S351	Q349-S351 PolarHBondContact O-N 3.3Å
350	S	81.5	Confident	90.2	Very high	87 Å²	87	62.4 Å²	62.4	61%	0.608	37%	0.37	S	S	*	.			trans	-56.6	137.6	174.8	-50.4	0	0	0	0	110.8
351	S	82.4	Confident	90.2	Very high	23 Å²	23	63.8 Å²	63.8	16%	0.161	38%	0.381	C	S	.	.			trans	-68.5	149.6	-177	179.7	0	0	0	0	111.4	E255 Q349 Q353 S354	E255-S351 VanDerWaalsContact OE1-CB 3.29Å; E255-S351 WeakPolarHBondContact OE1-CB 3.43Å; E255-S351 PolarHBondContact OE1-OG 3.18Å; Q349-S351 PolarHBondContact O-N 3.3Å; S351-Q353 PolarHBondContact O-N 2.77Å; S351-Q353 VanDerWaalsContact O-N 3.09Å; S351-Q353 PolarHBondContact OG-N 2.77Å; S351-S354 WeakPolarHBondContact CB-OG 3.27Å; S351-S354 PolarHBondContact N-OG 2.92Å; S351-S354 VanDerWaalsContact O-CB 3.32Å; S351-S354 WeakPolarHBondContact O-CB 3.4Å; S351-S354 PolarHBondContact O-N 3.48Å; S351-S354 PolarHBondContact O-OG 2.71Å
352	L	82.1	Confident	90.2	Very high	145 Å²	145	58.4 Å²	58.4	76%	0.759	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-1.7	165.2	-63.6	178.1	0	0	0	112.6	R259	R259-L352 PolarHBondContact NH1-O 2.83Å
353	Q	85.8	Confident	90.2	Very high	68 Å²	68	61 Å²	61	32%	0.318	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-4.6	168.8	-74.9	164.3	-134.6	0	0	113.1	E255 L256 S351 T355	E255-Q353 HydrophobicContact CB-CB 3.95Å; E255-Q353 HydrophobicContact CG-CB 4.28Å; L256-Q353 WeakPolarHBondContact CB-O 3.49Å; L256-Q353 WeakPolarHBondContact CG-O 3.49Å; L256-Q353 PolarHBondContact N-O 3.35Å; S351-Q353 PolarHBondContact O-N 2.77Å; S351-Q353 VanDerWaalsContact O-N 3.09Å; S351-Q353 PolarHBondContact OG-N 2.77Å; Q353-T355 PolarHBondContact O-N 3.37Å
354	S	90.5	Very high	90.1	Very high	3 Å²	3	55 Å²	55	2%	0.021	34%	0.338	C	S	.	.	S	Bend	trans	-76.7	8.2	169.5	-49.4	0	0	0	0	112.6	P254 V337 V338 S351	P254-S354 WeakPolarHBondContact O-CA 3.29Å; P254-S354 WeakPolarHBondContact O-CB 3.02Å; P254-S354 PolarHBondContact O-OG 2.75Å; V337-S354 WeakPolarHBondContact CA-O 3.19Å; V338-S354 PolarHBondContact N-O 3.03Å; V338-S354 WeakPolarHBondContact O-CB 3.34Å; S351-S354 WeakPolarHBondContact CB-OG 3.27Å; S351-S354 PolarHBondContact N-OG 2.92Å; S351-S354 VanDerWaalsContact O-CB 3.32Å; S351-S354 WeakPolarHBondContact O-CB 3.4Å; S351-S354 PolarHBondContact O-N 3.48Å; S351-S354 PolarHBondContact O-OG 2.71Å
355	T	94.1	Very high	90	Very high	60 Å²	60	55.7 Å²	55.7	37%	0.368	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	132.8	175.6	-54	0	0	0	0	110.1	T335 V336 V337 Q353	T335-T355 HydrophobicContact CG2-CG2 3.9Å; V336-T355 WeakPolarHBondContact O-CA 3.48Å; V337-T355 HydrophobicContact CG2-CG2 4.04Å; Q353-T355 PolarHBondContact O-N 3.37Å
356	A	94.5	Very high	90	Very high	4 Å²	4	55.4 Å²	55.4	3%	0.033	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154.2	175.3	0	0	0	0	0	112.2	L256 R259 F261 V336	L256-A356 HydrophobicContact CD1-CB 3.46Å; L256-A356 VanDerWaalsContact CD1-CB 3.46Å; R259-A356 VanDerWaalsContact O-CA 3.31Å; R259-A356 WeakPolarHBondContact O-CA 3.35Å; R259-A356 WeakPolarHBondContact O-CB 3.42Å; F261-A356 HydrophobicContact CD2-CB 4Å; F261-A356 HydrophobicContact CE2-CB 4.02Å; V336-A356 PolarHBondContact N-O 3.3Å; V336-A356 PolarHBondContact O-N 2.93Å
357	G	95.4	Very high	90.2	Very high	23 Å²	23	51.4 Å²	51.4	24%	0.237	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	146.8	161.8	0	0	0	0	0	110.7	R259 T260 F261 L334	R259-G357 PolarHBondContact O-N 2.79Å; T260-G357 CarbonylContact C-O 3.59Å; T260-G357 VanDerWaalsContact CA-O 3.31Å; T260-G357 WeakPolarHBondContact CA-O 3.36Å; F261-G357 PolarHBondContact N-O 2.78Å; L334-G357 CarbonylContact O-C 3.56Å; L334-G357 WeakPolarHBondContact O-CA 3.17Å
358	V	96.8	Very high	90.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	113.9	167.2	-167.9	0	0	0	0	108.9	F261 T275 L277 L318 M333 L334 V336 I360	F261-V358 HydrophobicContact CB-CG1 4.07Å; F261-V358 HydrophobicContact CB-CG2 4.26Å; F261-V358 WeakPolarHBondContact O-CA 3.18Å; T275-V358 HydrophobicContact CG2-CG1 3.99Å; L277-V358 HydrophobicContact CD1-CG2 4.47Å; L277-V358 HydrophobicContact CD2-CG2 3.79Å; L318-V358 HydrophobicContact CD2-CG1 3.8Å; M333-V358 CarbonylContact C-O 3.52Å; L334-V358 HydrophobicContact CB-CB 4.23Å; L334-V358 PolarHBondContact N-O 3.31Å; L334-V358 PolarHBondContact O-N 2.84Å; V336-V358 HydrophobicContact CB-CG2 4.44Å; V336-V358 HydrophobicContact CG2-CG2 3.75Å; V358-I360 HydrophobicContact CG1-CG1 4.27Å
359	T	96.3	Very high	90.9	Very high	73 Å²	73	48.1 Å²	48.1	45%	0.448	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	121.9	175	-54.9	0	0	0	0	108.8	F261 S262 G263	F261-T359 PolarHBondContact O-N 2.97Å; S262-T359 VanDerWaalsContact CA-O 3.32Å; S262-T359 WeakPolarHBondContact CA-O 3.34Å; G263-T359 PolarHBondContact N-O 2.81Å
360	I	96.2	Very high	91.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.8	179.4	-51.1	175.1	0	0	0	107.8	G263 V265 V274 F305 L318 A331 F332 L334 V358	G263-I360 WeakPolarHBondContact O-CA 3.27Å; V265-I360 HydrophobicContact CG1-CG2 3.82Å; V274-I360 HydrophobicContact CG1-CB 4.48Å; V274-I360 HydrophobicContact CG1-CD1 4.29Å; V274-I360 HydrophobicContact CG1-CG1 4.09Å; V274-I360 HydrophobicContact CG1-CG2 3.77Å; F305-I360 HydrophobicContact CD1-CD1 3.77Å; F305-I360 HydrophobicContact CD2-CD1 4.3Å; F305-I360 HydrophobicContact CE1-CD1 3.4Å; F305-I360 VanDerWaalsContact CE1-CD1 3.4Å; F305-I360 HydrophobicContact CE1-CG2 4.32Å; F305-I360 HydrophobicContact CE2-CD1 4Å; F305-I360 HydrophobicContact CG-CD1 4.22Å; F305-I360 HydrophobicContact CZ-CD1 3.54Å; F305-I360 HydrophobicContact CZ-CG2 4.34Å; L318-I360 HydrophobicContact CD2-CD1 3.91Å; L318-I360 HydrophobicContact CD2-CG1 4.44Å; A331-I360 CarbonylContact C-O 3.39Å; A331-I360 WeakPolarHBondContact CA-O 3.45Å; A331-I360 WeakPolarHBondContact CB-O 3.27Å; F332-I360 HydrophobicContact CB-CB 4.26Å; F332-I360 HydrophobicContact CB-CD1 4.39Å; F332-I360 PolarHBondContact N-O 3.39Å; F332-I360 PolarHBondContact O-N 2.9Å; L334-I360 HydrophobicContact CD1-CD1 3.78Å; L334-I360 HydrophobicContact CG-CD1 4.02Å; V358-I360 HydrophobicContact CG1-CG1 4.27Å
361	S	95.1	Very high	91.9	Very high	37 Å²	37	40.9 Å²	40.9	26%	0.259	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	128.9	164.1	30.2	0	0	0	0	108.7	G263 E264 V265	G263-S361 PolarHBondContact O-N 2.89Å; G263-S361 VanDerWaalsContact O-N 3.11Å; G263-S361 PolarHBondContact O-OG 2.77Å; E264-S361 CarbonylContact C-O 3.54Å; E264-S361 WeakPolarHBondContact CA-O 3.48Å; E264-S361 VanDerWaalsContact CD-OG 3.3Å; E264-S361 VanDerWaalsContact CG-OG 3.28Å; E264-S361 WeakPolarHBondContact CG-OG 3.28Å; E264-S361 PolarHBondContact OE1-OG 3.23Å; V265-S361 PolarHBondContact N-O 2.89Å
362	V	94.7	Very high	92.3	Very high	8 Å²	8	43.5 Å²	43.5	5%	0.048	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	131.8	163.2	-176.7	0	0	0	0	107.1	V265 E267 V324 F326 N329 R330 F332	V265-V362 HydrophobicContact CG1-CG2 4.5Å; V265-V362 CarbonylContact O-C 3.59Å; V265-V362 WeakPolarHBondContact O-CA 3.37Å; E267-V362 HydrophobicContact CB-CG1 3.84Å; V324-V362 HydrophobicContact CB-CG2 4.38Å; V324-V362 HydrophobicContact CG2-CG1 3.93Å; V324-V362 HydrophobicContact CG2-CG2 3.97Å; F326-V362 HydrophobicContact CB-CG1 3.99Å; F326-V362 HydrophobicContact CD2-CB 4.02Å; F326-V362 HydrophobicContact CD2-CG1 4.02Å; F326-V362 WeakPolarHBondContact CD2-O 3.19Å; F326-V362 WeakPolarHBondContact CE2-O 3.33Å; N329-V362 VanDerWaalsContact O-CG2 3.29Å; N329-V362 WeakPolarHBondContact O-CG2 3.45Å; R330-V362 PolarHBondContact O-N 2.8Å; F332-V362 HydrophobicContact CD2-CG2 4.07Å; F332-V362 HydrophobicContact CE2-CG2 3.92Å
363	Q	92.6	Very high	92.8	Very high	80 Å²	80	40.4 Å²	40.4	37%	0.374	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.2	172.6	-63.7	175.4	-18.7	0	0	108.6	E264 V265 E267	E264-Q363 HydrophobicContact CB-CG 4.24Å; E264-Q363 PolarHBondContact OE2-NE2 2.77Å; V265-Q363 PolarHBondContact O-N 3.28Å; E267-Q363 PolarHBondContact N-O 3.25Å
364	D	90.8	Very high	93.1	Very high	53 Å²	53	41.1 Å²	41.1	28%	0.283	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-58.1	123	171	-172.2	-29.8	0	0	0	110.4	E267 F326 I402	E267-D364 WeakPolarHBondContact OE1-CA 3.44Å; F326-D364 HydrophobicContact CD1-CB 3.86Å; F326-D364 HydrophobicContact CD2-CB 4.11Å; F326-D364 HydrophobicContact CE1-CB 3.7Å; F326-D364 WeakPolarHBondContact CE1-OD2 3.49Å; F326-D364 HydrophobicContact CE2-CB 3.97Å; F326-D364 HydrophobicContact CG-CB 4.06Å; F326-D364 HydrophobicContact CZ-CB 3.77Å; D364-I402 VanDerWaalsContact OD1-CD1 3.28Å; D364-I402 WeakPolarHBondContact OD1-CD1 3.47Å
365	V	90.1	Very high	93.3	Very high	61 Å²	61	44 Å²	44	37%	0.37	26%	0.263	S	S	.	.			trans	-140.4	101.7	-177.1	-177.5	0	0	0	0	112	P266 E267 E367	P266-V365 HydrophobicContact CB-CG2 3.93Å; E267-V365 HydrophobicContact CG-CB 4.24Å; E267-V365 PolarHBondContact OE1-N 2.93Å; V365-E367 PolarHBondContact O-N 3.33Å
366	N	90	Very high	93.3	Very high	22 Å²	22	44.1 Å²	44.1	12%	0.118	26%	0.258	C	S	.	.			trans	-19.7	108.4	175.3	-174	101.8	0	0	0	116.2	D399 Q404 D453 G455 P457 A459	N366-D399 WeakPolarHBondContact CA-OD1 3.42Å; N366-Q404 PolarHBondContact OD1-NE2 2.97Å; N366-D453 PolarHBondContact ND2-OD2 3.18Å; N366-G455 WeakPolarHBondContact OD1-CA 3.44Å; N366-P457 PolarHBondContact ND2-O 2.71Å; N366-A459 VanDerWaalsContact ND2-CB 3.28Å; N366-A459 WeakPolarHBondContact ND2-CB 3.18Å
367	E	90.6	Very high	93.4	Very high	52 Å²	52	47.5 Å²	47.5	24%	0.243	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-90	154.8	176.4	-67.3	-146.6	110	0	0	112.7	N268 V365 P398 D399	N268-E367 PolarHBondContact ND2-OE1 2.9Å; V365-E367 PolarHBondContact O-N 3.33Å; E367-P398 HydrophobicContact CB-CB 3.99Å; E367-P398 HydrophobicContact CB-CG 3.72Å; E367-P398 HydrophobicContact CG-CB 4.35Å; E367-P398 HydrophobicContact CG-CG 4.49Å; E367-P398 WeakPolarHBondContact OE2-CB 3.42Å; E367-P398 WeakPolarHBondContact OE2-CG 3.25Å; E367-D399 PolarHBondContact N-OD2 2.85Å
368	P	91.6	Very high	93.3	Very high	55 Å²	55	47.3 Å²	47.3	36%	0.357	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-71	132.3	174.3	27.5	-33.5	0	0	0	112	V370 A459 S460	P368-V370 VanDerWaalsContact O-CG2 3.3Å; P368-V370 WeakPolarHBondContact O-CG2 3.23Å; P368-V370 PolarHBondContact O-N 2.76Å; P368-A459 HydrophobicContact CB-CB 3.98Å; P368-S460 WeakPolarHBondContact CB-O 3.48Å
369	P	93.6	Very high	93.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-55.7	121.1	177.2	-29.1	35.5	0	0	0	113.6	A395 V406 A451 D453	P369-A395 HydrophobicContact CB-CB 4.04Å; P369-V406 HydrophobicContact CB-CG1 3.98Å; P369-V406 HydrophobicContact CB-CG2 3.92Å; P369-V406 HydrophobicContact CG-CG1 4.28Å; P369-V406 HydrophobicContact CG-CG2 3.95Å; P369-A451 HydrophobicContact CB-CB 4.15Å; P369-D453 HydrophobicContact CG-CB 3.96Å
370	V	93.1	Very high	93.1	Very high	81 Å²	81	55.1 Å²	55.1	49%	0.491	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-95.6	133.1	-170.5	-175.4	0	0	0	0	111.3	P368 P372 A395 Q396 P398	P368-V370 VanDerWaalsContact O-CG2 3.3Å; P368-V370 WeakPolarHBondContact O-CG2 3.23Å; P368-V370 PolarHBondContact O-N 2.76Å; V370-P372 VanDerWaalsContact O-CD 3.3Å; V370-P372 WeakPolarHBondContact O-CD 3.42Å; V370-A395 CarbonylContact O-C 3.52Å; V370-A395 WeakPolarHBondContact O-CA 3.47Å; V370-A395 WeakPolarHBondContact O-CB 3.45Å; V370-Q396 PolarHBondContact N-O 3.21Å; V370-Q396 PolarHBondContact O-N 2.87Å; V370-P398 HydrophobicContact CG2-CG 4.04Å
371	F	93.7	Very high	92.8	Very high	11 Å²	11	61.3 Å²	61.3	5%	0.048	32%	0.324	C	S	.	.			trans	-79.3	115.7	169.8	-69.9	-86.8	0	0	0	110.4	V373 N374 F393 A395 Y408 A451 G463	F371-V373 PolarHBondContact O-N 2.99Å; F371-N374 HydrophobicContact CB-CB 4.34Å; F371-F393 HydrophobicContact CB-CE2 4.1Å; F371-F393 HydrophobicContact CB-CZ 4.24Å; F371-F393 HydrophobicContact CD1-CD1 4.06Å; F371-F393 AromaticContact CD1-CD2 3.71Å; F371-F393 HydrophobicContact CD1-CD2 3.71Å; F371-F393 AromaticContact CD1-CE1 3.78Å; F371-F393 HydrophobicContact CD1-CE1 3.78Å; F371-F393 AromaticContact CD1-CE2 3.38Å; F371-F393 HydrophobicContact CD1-CE2 3.38Å; F371-F393 HydrophobicContact CD1-CG 4.04Å; F371-F393 AromaticContact CD1-CZ 3.44Å; F371-F393 HydrophobicContact CD1-CZ 3.44Å; F371-F393 VanDerWaalsContact CD1-CZ 3.44Å; F371-F393 AromaticContact CE1-CD1 3.67Å; F371-F393 HydrophobicContact CE1-CD1 3.67Å; F371-F393 HydrophobicContact CE1-CD2 4.1Å; F371-F393 AromaticContact CE1-CE1 3.61Å; F371-F393 HydrophobicContact CE1-CE1 3.61Å; F371-F393 HydrophobicContact CE1-CE2 4.02Å; F371-F393 AromaticContact CE1-CG 3.93Å; F371-F393 HydrophobicContact CE1-CG 3.93Å; F371-F393 AromaticContact CE1-CZ 3.8Å; F371-F393 HydrophobicContact CE1-CZ 3.8Å; F371-F393 HydrophobicContact CG-CE1 4.41Å; F371-F393 AromaticContact CG-CE2 3.96Å; F371-F393 HydrophobicContact CG-CE2 3.96Å; F371-F393 AromaticContact CG-CZ 3.82Å; F371-F393 HydrophobicContact CG-CZ 3.82Å; F371-F393 HydrophobicContact CZ-CD1 4.41Å; F371-F393 HydrophobicContact CZ-CE1 4.12Å; F371-F393 HydrophobicContact CZ-CZ 4.47Å; F371-A395 HydrophobicContact CD1-CB 4.03Å; F371-A395 HydrophobicContact CD2-CB 4.31Å; F371-A395 HydrophobicContact CE1-CB 4.08Å; F371-A395 HydrophobicContact CE2-CB 4.34Å; F371-A395 HydrophobicContact CG-CB 4.17Å; F371-A395 HydrophobicContact CZ-CB 4.25Å; F371-Y408 HydrophobicContact CE1-CE1 4.27Å; F371-Y408 HydrophobicContact CZ-CD1 4.49Å; F371-Y408 HydrophobicContact CZ-CE1 4.44Å; F371-A451 HydrophobicContact CE1-CB 4.48Å; F371-A451 HydrophobicContact CE2-CB 3.69Å; F371-A451 HydrophobicContact CZ-CB 3.6Å; F371-G463 VanDerWaalsContact CD2-CA 3.4Å; F371-G463 VanDerWaalsContact CE2-N 3.26Å
372	P	91.4	Very high	92.6	Very high	77 Å²	77	60 Å²	60	50%	0.5	31%	0.314	S	S	.	.	S	Bend	trans	-66	-10.6	-172.3	-23.8	35.1	0	0	0	115.6	V370 Q396	V370-P372 VanDerWaalsContact O-CD 3.3Å; V370-P372 WeakPolarHBondContact O-CD 3.42Å; P372-Q396 HydrophobicContact CG-CB 4.3Å; P372-Q396 HydrophobicContact CG-CG 3.84Å
373	V	91.8	Very high	92.3	Very high	80 Å²	80	61.6 Å²	61.6	49%	0.485	33%	0.331	S	S	.	.	S	Bend	trans	-140.3	108.6	171.4	-179.2	0	0	0	0	107.5	F371 K376	F371-V373 PolarHBondContact O-N 2.99Å; V373-K376 HydrophobicContact CB-CD 4.26Å; V373-K376 HydrophobicContact CG1-CD 4.1Å
374	N	92.6	Very high	92.1	Very high	84 Å²	84	58.8 Å²	58.8	45%	0.449	32%	0.32	S	S	.	.	S	Bend	trans	-138.8	122.4	-178.3	-162.9	14.9	0	0	0	109.3	F371 T462 T464	F371-N374 HydrophobicContact CB-CB 4.34Å; N374-T462 PolarHBondContact ND2-O 2.88Å; N374-T464 PolarHBondContact OD1-N 3.1Å
375	P	94.3	Very high	92	Very high	63 Å²	63	60.1 Å²	60.1	41%	0.409	33%	0.331	S	S	.	.	S	Bend	cis	-66.5	147.4	-6.4	30.3	-35.8	0	0	0	112.2	T464 Q466	P375-T464 CarbonylContact C-O 3.55Å; P375-T464 WeakPolarHBondContact CA-O 3.35Å; P375-T464 HydrophobicContact CB-CG2 4.26Å; P375-Q466 HydrophobicContact CB-CG 4.3Å
376	K	94.9	Very high	92	Very high	62 Å²	62	60.2 Å²	60.2	27%	0.27	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	109.9	174.3	-179.3	61.3	176.2	-179.5	0	109.9	V373 F393 T464 L465 Q466	V373-K376 HydrophobicContact CB-CD 4.26Å; V373-K376 HydrophobicContact CG1-CD 4.1Å; K376-F393 HydrophobicContact CB-CD2 3.84Å; K376-F393 HydrophobicContact CB-CE2 3.43Å; K376-F393 VanDerWaalsContact CB-CE2 3.43Å; K376-F393 HydrophobicContact CB-CZ 4.04Å; K376-F393 HydrophobicContact CG-CD2 3.95Å; K376-F393 HydrophobicContact CG-CE2 4.06Å; K376-T464 PolarHBondContact N-O 3.16Å; K376-L465 HydrophobicContact CB-CD1 4.12Å; K376-L465 HydrophobicContact CG-CD1 3.91Å; K376-Q466 PolarHBondContact O-N 2.97Å
377	T	95.1	Very high	92.1	Very high	75 Å²	75	61.6 Å²	61.6	46%	0.46	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	137.9	174.6	50.7	0	0	0	0	112	Q466 Y468	T377-Q466 CarbonylContact C-O 3.57Å; T377-Q466 WeakPolarHBondContact CA-O 3.47Å; T377-Q466 HydrophobicContact CG2-CB 4.04Å; T377-Y468 HydrophobicContact CG2-CE2 3.95Å
378	I	94.4	Very high	92.2	Very high	19 Å²	19	61.3 Å²	61.3	10%	0.097	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	161.1	168.9	63	175.2	0	0	0	110	F380 L390 T391 L465 Q466 I467 Y468	I378-F380 HydrophobicContact CB-CD2 4.45Å; I378-F380 HydrophobicContact CB-CE2 4.5Å; I378-F380 HydrophobicContact CD1-CD2 3.87Å; I378-F380 HydrophobicContact CD1-CE2 3.93Å; I378-F380 HydrophobicContact CG1-CD2 4.25Å; I378-L390 HydrophobicContact CD1-CB 4.04Å; I378-T391 HydrophobicContact CD1-CG2 4.47Å; I378-T391 HydrophobicContact CG2-CG2 4.36Å; I378-L465 HydrophobicContact CD1-CD1 4.16Å; I378-L465 HydrophobicContact CD1-CD2 4.3Å; I378-L465 HydrophobicContact CG1-CD1 4.32Å; I378-L465 HydrophobicContact CG2-CD1 4.42Å; I378-Q466 PolarHBondContact N-O 2.76Å; I378-I467 HydrophobicContact CD1-CD1 4.32Å; I378-I467 HydrophobicContact CD1-CG1 3.95Å; I378-I467 HydrophobicContact CD1-CG2 4.28Å; I378-I467 HydrophobicContact CG1-CB 4.21Å; I378-I467 HydrophobicContact CG1-CG1 3.98Å; I378-I467 HydrophobicContact CG1-CG2 4.11Å; I378-Y468 PolarHBondContact O-N 2.87Å
379	R	94.3	Very high	92.3	Very high	186 Å²	186	62.4 Å²	62.4	70%	0.702	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.6	175	-55	-169.7	65.3	159.1	-0.6	109.4	Y468 I470	R379-Y468 WeakPolarHBondContact CA-O 3.44Å; R379-I470 HydrophobicContact CB-CD1 4.46Å
380	F	93.6	Very high	92.2	Very high	52 Å²	52	63 Å²	63	23%	0.228	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148	179.9	-91.7	-90.2	0	0	0	110.5	I378 L390 I467 Y468 L469 I470	I378-F380 HydrophobicContact CB-CD2 4.45Å; I378-F380 HydrophobicContact CB-CE2 4.5Å; I378-F380 HydrophobicContact CD1-CD2 3.87Å; I378-F380 HydrophobicContact CD1-CE2 3.93Å; I378-F380 HydrophobicContact CG1-CD2 4.25Å; F380-L390 HydrophobicContact CD1-CD2 3.75Å; F380-L390 HydrophobicContact CD2-CD2 4.06Å; F380-L390 HydrophobicContact CE1-CD2 3.7Å; F380-L390 HydrophobicContact CE2-CB 4.03Å; F380-L390 HydrophobicContact CE2-CD2 4.02Å; F380-L390 WeakPolarHBondContact CE2-O 3.38Å; F380-L390 HydrophobicContact CG-CD2 3.94Å; F380-L390 HydrophobicContact CZ-CB 4.18Å; F380-L390 HydrophobicContact CZ-CD2 3.86Å; F380-L390 VanDerWaalsContact CZ-O 3.3Å; F380-L390 WeakPolarHBondContact CZ-O 3.34Å; F380-I467 HydrophobicContact CB-CG2 4.5Å; F380-Y468 PolarHBondContact N-O 3.48Å; F380-L469 CarbonylContact O-C 3.45Å; F380-L469 WeakPolarHBondContact O-CA 3.27Å; F380-I470 PolarHBondContact O-N 3.35Å
381	E	91.1	Very high	92.3	Very high	129 Å²	129	60.9 Å²	60.9	60%	0.603	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	154.2	162.2	-68.3	162.2	-174.8	0	0	109.4	V384 I470 V472	E381-V384 WeakPolarHBondContact O-CG2 3.37Å; E381-I470 HydrophobicContact CG-CB 4.29Å; E381-I470 HydrophobicContact CG-CG2 4.5Å; E381-V472 HydrophobicContact CB-CG2 4.35Å
382	E	91.1	Very high	92.2	Very high	11 Å²	11	64.4 Å²	64.4	5%	0.051	38%	0.378	C	S	.	.	S	Bend	trans	-87.6	-174.5	174.9	71.8	-168.2	118.1	0	0	112.9	V384 R435 I470 D471 V472	E382-V384 PolarHBondContact O-N 3.15Å; E382-R435 WeakPolarHBondContact OE2-CB 3.47Å; E382-R435 PolarHBondContact OE2-N 2.87Å; E382-I470 PolarHBondContact N-O 2.78Å; E382-D471 WeakPolarHBondContact OE1-CA 3.17Å; E382-V472 HydrophobicContact CG-CB 3.84Å; E382-V472 HydrophobicContact CG-CG2 3.91Å; E382-V472 PolarHBondContact OE1-N 2.71Å
383	G	87.2	Confident	92.4	Very high	41 Å²	41	61.1 Å²	61.1	42%	0.423	36%	0.356	S	S	.	.	S	Bend	trans	65	3.9	-174.6	0	0	0	0	0	114.3	L432 L433	G383-L432 WeakPolarHBondContact O-CD2 3.11Å; G383-L433 PolarHBondContact N-O 3.13Å
384	V	88.7	Confident	92.4	Very high	21 Å²	21	59.2 Å²	59.2	13%	0.127	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-62.2	126	-176.6	166.5	0	0	0	0	110.5	E381 E382 T388 T429	E381-V384 WeakPolarHBondContact O-CG2 3.37Å; E382-V384 PolarHBondContact O-N 3.15Å; V384-T388 VanDerWaalsContact CG1-CB 3.44Å; V384-T388 HydrophobicContact CG1-CG2 3.59Å; V384-T388 WeakPolarHBondContact CG1-OG1 3.36Å; V384-T429 HydrophobicContact CG1-CG2 4.4Å
385	P	88.9	Confident	92.4	Very high	81 Å²	81	55.7 Å²	55.7	53%	0.526	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-65.9	150.1	-173	25.1	-33.9	0	0	0	113	T388 T429	P385-T388 WeakPolarHBondContact O-CB 3.46Å; P385-T388 PolarHBondContact O-N 2.97Å; P385-T388 PolarHBondContact O-OG1 3Å; P385-T429 PolarHBondContact O-OG1 3.43Å
386	A	90.6	Very high	92.2	Very high	63 Å²	63	59.1 Å²	59.1	52%	0.521	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	137.8	173.9	0	0	0	0	0	111.7	T429 M430	A386-T429 WeakPolarHBondContact CA-OG1 3.32Å; A386-M430 WeakPolarHBondContact CB-O 3.28Å
387	G	90.6	Very high	92	Very high	51 Å²	51	57.4 Å²	57.4	53%	0.526	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	-5.3	-174.4	0	0	0	0	0	114.7	T429	G387-T429 PolarHBondContact N-O 2.91Å; G387-T429 PolarHBondContact N-OG1 3.25Å; G387-T429 VanDerWaalsContact N-OG1 3.17Å
388	T	93.2	Very high	91.7	Very high	45 Å²	45	55 Å²	55	28%	0.276	32%	0.321	S	S	.	.			trans	-70	136.3	177.1	-56.6	0	0	0	0	110.9	V384 P385 T428 T429	V384-T388 VanDerWaalsContact CG1-CB 3.44Å; V384-T388 HydrophobicContact CG1-CG2 3.59Å; V384-T388 WeakPolarHBondContact CG1-OG1 3.36Å; P385-T388 WeakPolarHBondContact O-CB 3.46Å; P385-T388 PolarHBondContact O-N 2.97Å; P385-T388 PolarHBondContact O-OG1 3Å; T388-T428 CarbonylContact O-C 3.58Å; T388-T428 WeakPolarHBondContact O-CA 3.4Å; T388-T429 PolarHBondContact N-OG1 2.78Å; T388-T429 PolarHBondContact O-N 3.45Å
389	T	93.6	Very high	91.4	Very high	79 Å²	79	54.5 Å²	54.5	49%	0.485	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	116.6	179.3	55	0	0	0	0	110.7	Q426 T428	T389-Q426 VanDerWaalsContact CG2-NE2 3.29Å; T389-T428 HydrophobicContact CG2-CG2 3.74Å
390	L	92.8	Very high	90.8	Very high	13 Å²	13	52.4 Å²	52.4	7%	0.068	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-52.3	-177.3	-59.6	-178.6	0	0	0	112	I378 F380 L418 I427 T429 L433 I467	I378-L390 HydrophobicContact CD1-CB 4.04Å; F380-L390 HydrophobicContact CD1-CD2 3.75Å; F380-L390 HydrophobicContact CD2-CD2 4.06Å; F380-L390 HydrophobicContact CE1-CD2 3.7Å; F380-L390 HydrophobicContact CE2-CB 4.03Å; F380-L390 HydrophobicContact CE2-CD2 4.02Å; F380-L390 WeakPolarHBondContact CE2-O 3.38Å; F380-L390 HydrophobicContact CG-CD2 3.94Å; F380-L390 HydrophobicContact CZ-CB 4.18Å; F380-L390 HydrophobicContact CZ-CD2 3.86Å; F380-L390 VanDerWaalsContact CZ-O 3.3Å; F380-L390 WeakPolarHBondContact CZ-O 3.34Å; L390-L418 HydrophobicContact CD1-CD2 3.62Å; L390-I427 HydrophobicContact CD1-CG2 4.42Å; L390-I427 PolarHBondContact N-O 2.94Å; L390-T429 HydrophobicContact CD1-CG2 4.05Å; L390-T429 HydrophobicContact CD2-CG2 3.96Å; L390-T429 HydrophobicContact CG-CG2 4.09Å; L390-L433 HydrophobicContact CD1-CD1 4.5Å; L390-L433 HydrophobicContact CD2-CD1 4.34Å; L390-I467 HydrophobicContact CD1-CD1 3.91Å
391	T	93.4	Very high	90	Very high	35 Å²	35	54.8 Å²	54.8	22%	0.215	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	173.2	-179.7	-158.7	0	0	0	0	111.7	I378 F393 I427 L465	I378-T391 HydrophobicContact CD1-CG2 4.47Å; I378-T391 HydrophobicContact CG2-CG2 4.36Å; T391-F393 HydrophobicContact CG2-CB 4.36Å; T391-I427 PolarHBondContact O-N 2.84Å; T391-L465 HydrophobicContact CG2-CD1 4.11Å
392	V	93.6	Very high	89.2	Confident	86 Å²	86	51.9 Å²	51.9	52%	0.521	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114.9	164.3	177.4	0	0	0	0	107.4	A394 N424 Q426	V392-A394 HydrophobicContact CG1-CB 4.2Å; V392-N424 WeakPolarHBondContact CG1-O 3.22Å; V392-Q426 HydrophobicContact CG2-CB 4.38Å; V392-Q426 HydrophobicContact CG2-CG 4.38Å
393	F	93.6	Very high	88.4	Confident	7 Å²	7	60 Å²	60	3%	0.031	35%	0.353	C	S	.	.			trans	-112.4	74	177.6	-168.7	-139.2	0	0	0	108.4	F371 K376 T391 G425 I427 F449	F371-F393 HydrophobicContact CB-CE2 4.1Å; F371-F393 HydrophobicContact CB-CZ 4.24Å; F371-F393 HydrophobicContact CD1-CD1 4.06Å; F371-F393 AromaticContact CD1-CD2 3.71Å; F371-F393 HydrophobicContact CD1-CD2 3.71Å; F371-F393 AromaticContact CD1-CE1 3.78Å; F371-F393 HydrophobicContact CD1-CE1 3.78Å; F371-F393 AromaticContact CD1-CE2 3.38Å; F371-F393 HydrophobicContact CD1-CE2 3.38Å; F371-F393 HydrophobicContact CD1-CG 4.04Å; F371-F393 AromaticContact CD1-CZ 3.44Å; F371-F393 HydrophobicContact CD1-CZ 3.44Å; F371-F393 VanDerWaalsContact CD1-CZ 3.44Å; F371-F393 AromaticContact CE1-CD1 3.67Å; F371-F393 HydrophobicContact CE1-CD1 3.67Å; F371-F393 HydrophobicContact CE1-CD2 4.1Å; F371-F393 AromaticContact CE1-CE1 3.61Å; F371-F393 HydrophobicContact CE1-CE1 3.61Å; F371-F393 HydrophobicContact CE1-CE2 4.02Å; F371-F393 AromaticContact CE1-CG 3.93Å; F371-F393 HydrophobicContact CE1-CG 3.93Å; F371-F393 AromaticContact CE1-CZ 3.8Å; F371-F393 HydrophobicContact CE1-CZ 3.8Å; F371-F393 HydrophobicContact CG-CE1 4.41Å; F371-F393 AromaticContact CG-CE2 3.96Å; F371-F393 HydrophobicContact CG-CE2 3.96Å; F371-F393 AromaticContact CG-CZ 3.82Å; F371-F393 HydrophobicContact CG-CZ 3.82Å; F371-F393 HydrophobicContact CZ-CD1 4.41Å; F371-F393 HydrophobicContact CZ-CE1 4.12Å; F371-F393 HydrophobicContact CZ-CZ 4.47Å; K376-F393 HydrophobicContact CB-CD2 3.84Å; K376-F393 HydrophobicContact CB-CE2 3.43Å; K376-F393 VanDerWaalsContact CB-CE2 3.43Å; K376-F393 HydrophobicContact CB-CZ 4.04Å; K376-F393 HydrophobicContact CG-CD2 3.95Å; K376-F393 HydrophobicContact CG-CE2 4.06Å; T391-F393 HydrophobicContact CG2-CB 4.36Å; F393-G425 CarbonylContact C-O 3.53Å; F393-G425 PolarHBondContact N-O 2.84Å; F393-I427 HydrophobicContact CB-CD1 3.67Å; F393-I427 HydrophobicContact CB-CG1 4.34Å; F393-I427 HydrophobicContact CD1-CD1 4.08Å; F393-I427 HydrophobicContact CG-CD1 4.32Å; F393-F449 HydrophobicContact CD1-CB 4.3Å; F393-F449 HydrophobicContact CD1-CD2 4Å; F393-F449 HydrophobicContact CD1-CG 4.38Å; F393-F449 HydrophobicContact CE1-CB 4.27Å; F393-F449 HydrophobicContact CE1-CD2 4.1Å
394	A	92.3	Very high	88.2	Confident	40 Å²	40	59.4 Å²	59.4	33%	0.331	34%	0.339	S	S	.	.			trans	-91.1	141.3	175.2	0	0	0	0	0	110.4	V392 Y408	V392-A394 HydrophobicContact CG1-CB 4.2Å; A394-Y408 WeakPolarHBondContact CA-OH 3.06Å
395	A	92.6	Very high	88.1	Confident	10 Å²	10	63.4 Å²	63.4	8%	0.083	36%	0.358	C	S	.	.			trans	-88.2	164.8	166	0	0	0	0	0	109.9	P369 V370 F371 V406 Y408 A451	P369-A395 HydrophobicContact CB-CB 4.04Å; V370-A395 CarbonylContact O-C 3.52Å; V370-A395 WeakPolarHBondContact O-CA 3.47Å; V370-A395 WeakPolarHBondContact O-CB 3.45Å; F371-A395 HydrophobicContact CD1-CB 4.03Å; F371-A395 HydrophobicContact CD2-CB 4.31Å; F371-A395 HydrophobicContact CE1-CB 4.08Å; F371-A395 HydrophobicContact CE2-CB 4.34Å; F371-A395 HydrophobicContact CG-CB 4.17Å; F371-A395 HydrophobicContact CZ-CB 4.25Å; A395-V406 HydrophobicContact CB-CG1 4.34Å; A395-Y408 HydrophobicContact CB-CE1 4.19Å; A395-Y408 PolarHBondContact N-OH 2.83Å; A395-Y408 PolarHBondContact O-OH 3.23Å; A395-A451 HydrophobicContact CB-CB 3.6Å
396	Q	90.8	Very high	88.3	Confident	136 Å²	136	60.7 Å²	60.7	64%	0.636	34%	0.34	S	S	*	.	B	Isolated β-bridge	trans	-119.1	132.6	172.2	-67	178.2	3.2	0	0	108	V370 P372	V370-Q396 PolarHBondContact N-O 3.21Å; V370-Q396 PolarHBondContact O-N 2.87Å; P372-Q396 HydrophobicContact CG-CB 4.3Å; P372-Q396 HydrophobicContact CG-CG 3.84Å
397	D	90.3	Very high	88.4	Confident	26 Å²	26	62.3 Å²	62.3	14%	0.139	33%	0.333	C	S	.	.			trans	-77.1	127.7	174.2	-123.1	-47.7	0	0	0	108.6	Q404 V406	D397-Q404 WeakPolarHBondContact OD2-CB 3.44Å; D397-V406 HydrophobicContact CB-CG2 4.12Å; D397-V406 WeakPolarHBondContact OD2-CG2 3.26Å
398	P	89	Confident	88.6	Confident	24 Å²	24	60.6 Å²	60.6	16%	0.156	31%	0.31	C	S	.	.	S	Bend	trans	-65.4	-39.7	173.7	-22.3	35.7	0	0	0	112.2	E327 E367 V370 H400	E327-P398 WeakPolarHBondContact CG-O 3.44Å; E367-P398 HydrophobicContact CB-CB 3.99Å; E367-P398 HydrophobicContact CB-CG 3.72Å; E367-P398 HydrophobicContact CG-CB 4.35Å; E367-P398 HydrophobicContact CG-CG 4.49Å; E367-P398 WeakPolarHBondContact OE2-CB 3.42Å; E367-P398 WeakPolarHBondContact OE2-CG 3.25Å; V370-P398 HydrophobicContact CG2-CG 4.04Å; P398-H400 VanDerWaalsContact C-N 3.34Å; P398-H400 PolarHBondContact O-N 2.92Å; P398-H400 PolarHBondContact O-ND1 2.85Å
399	D	89.1	Confident	88.7	Confident	8 Å²	8	60.3 Å²	60.3	4%	0.043	31%	0.311	C	S	.	.			trans	-50.5	82.7	176.2	-71.8	-140.7	0	0	0	112.9	N366 E367 F401 I402 Q404	N366-D399 WeakPolarHBondContact CA-OD1 3.42Å; E367-D399 PolarHBondContact N-OD2 2.85Å; D399-F401 VanDerWaalsContact C-N 3.34Å; D399-I402 HydrophobicContact CB-CB 4.28Å; D399-I402 VanDerWaalsContact O-O 3.11Å; D399-Q404 HydrophobicContact CB-CG 3.83Å; D399-Q404 PolarHBondContact OD1-NE2 2.92Å
400	H	80.5	Confident	88.8	Confident	143 Å²	143	59.8 Å²	59.8	66%	0.662	30%	0.302	S	S	*	.	S	Bend	trans	-80.6	-20.3	-179.1	-74.3	128.8	0	0	0	112.2	E327 P398	E327-H400 HydrophobicContact CG-CB 4.33Å; E327-H400 PolarHBondContact OE1-N 2.84Å; P398-H400 VanDerWaalsContact C-N 3.34Å; P398-H400 PolarHBondContact O-N 2.92Å; P398-H400 PolarHBondContact O-ND1 2.85Å
401	F	77.5	Confident	88.8	Confident	102 Å²	102	64.2 Å²	64.2	45%	0.447	33%	0.325	S	S	.	.	S	Bend	trans	-94.9	-18.1	-179.5	-64	-68.8	0	0	0	114	F326 E327 R330 D399	F326-F401 AromaticContact CD1-CD2 3.91Å; F326-F401 HydrophobicContact CD1-CD2 3.91Å; F326-F401 HydrophobicContact CE1-CB 4.16Å; F326-F401 AromaticContact CE1-CD2 3.57Å; F326-F401 HydrophobicContact CE1-CD2 3.57Å; F326-F401 HydrophobicContact CE1-CE2 4.35Å; F326-F401 HydrophobicContact CE1-CG 4.09Å; E327-F401 VanDerWaalsContact OE1-CD2 3.27Å; E327-F401 WeakPolarHBondContact OE1-CD2 3.35Å; R330-F401 HydrophobicContact CG-CE2 4.43Å; D399-F401 VanDerWaalsContact C-N 3.34Å
402	I	73.4	Confident	88.9	Confident	68 Å²	68	65.2 Å²	65.2	35%	0.349	33%	0.333	S	S	.	.	S	Bend	trans	-100.2	127.4	172.4	-52.2	-173.7	0	0	0	109.3	D364 D399 Q404	D364-I402 VanDerWaalsContact OD1-CD1 3.28Å; D364-I402 WeakPolarHBondContact OD1-CD1 3.47Å; D399-I402 HydrophobicContact CB-CB 4.28Å; D399-I402 VanDerWaalsContact O-O 3.11Å; I402-Q404 VanDerWaalsContact C-N 3.28Å; I402-Q404 HydrophobicContact CB-CG 4.24Å; I402-Q404 HydrophobicContact CG2-CG 4.1Å; I402-Q404 PolarHBondContact O-N 2.84Å
403	H	74.4	Confident	89	Confident	182 Å²	182	61.5 Å²	61.5	84%	0.843	31%	0.31	S	S	*	.			trans	-78.4	76.9	176.8	-73.2	172.4	0	0	0	111.7
404	Q	83	Confident	89	Confident	28 Å²	28	64 Å²	64	13%	0.131	33%	0.328	C	S	.	.			trans	-75.3	158.9	176.8	-55.5	-76.4	7.6	0	0	112.6	N366 D397 D399 I402	N366-Q404 PolarHBondContact OD1-NE2 2.97Å; D397-Q404 WeakPolarHBondContact OD2-CB 3.44Å; D399-Q404 HydrophobicContact CB-CG 3.83Å; D399-Q404 PolarHBondContact OD1-NE2 2.92Å; I402-Q404 VanDerWaalsContact C-N 3.28Å; I402-Q404 HydrophobicContact CB-CG 4.24Å; I402-Q404 HydrophobicContact CG2-CG 4.1Å; I402-Q404 PolarHBondContact O-N 2.84Å
405	I	87.3	Confident	89	Confident	104 Å²	104	63.2 Å²	63.2	53%	0.533	32%	0.32	S	S	.	.			trans	-129	88.5	173.4	-49.7	178.4	0	0	0	110.1	R407 N454	I405-R407 PolarHBondContact O-N 2.84Å; I405-N454 WeakPolarHBondContact CA-OD1 3.4Å; I405-N454 WeakPolarHBondContact CB-OD1 3.31Å; I405-N454 WeakPolarHBondContact CG1-OD1 3.4Å; I405-N454 PolarHBondContact N-OD1 2.86Å
406	V	91.9	Very high	89.1	Confident	25 Å²	25	67.4 Å²	67.4	15%	0.152	34%	0.341	C	S	.	.			trans	-51.6	131	172	-171.4	0	0	0	0	111.6	P369 A395 D397 Y408 A451 Y452	P369-V406 HydrophobicContact CB-CG1 3.98Å; P369-V406 HydrophobicContact CB-CG2 3.92Å; P369-V406 HydrophobicContact CG-CG1 4.28Å; P369-V406 HydrophobicContact CG-CG2 3.95Å; A395-V406 HydrophobicContact CB-CG1 4.34Å; D397-V406 HydrophobicContact CB-CG2 4.12Å; D397-V406 WeakPolarHBondContact OD2-CG2 3.26Å; V406-Y408 HydrophobicContact CG1-CE1 4.01Å; V406-Y408 HydrophobicContact CG1-CE2 4.13Å; V406-A451 HydrophobicContact CG1-CB 3.88Å; V406-Y452 CarbonylContact C-O 3.49Å; V406-Y452 WeakPolarHBondContact CA-O 3.47Å
407	R	93.9	Very high	89.2	Confident	96 Å²	96	61.7 Å²	61.7	36%	0.362	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.6	176.1	-74	168.1	175.8	174.4	2.4	110.7	I405 R422 A451 Y452	I405-R407 PolarHBondContact O-N 2.84Å; R407-R422 WeakPolarHBondContact CA-O 3.41Å; R407-R422 HydrophobicContact CB-CG 4.25Å; R407-R422 HydrophobicContact CG-CG 4.46Å; R407-A451 WeakPolarHBondContact O-CA 3.48Å; R407-Y452 HydrophobicContact CB-CD2 3.81Å; R407-Y452 HydrophobicContact CB-CE1 4.23Å; R407-Y452 HydrophobicContact CB-CE2 3.38Å; R407-Y452 HydrophobicContact CB-CG 4.43Å; R407-Y452 HydrophobicContact CG-CE2 4.18Å; R407-Y452 PolarHBondContact N-O 2.81Å; R407-Y452 WeakPolarHBondContact O-CD1 3.19Å; R407-Y452 PolarHBondContact O-N 3.21Å
408	Y	95.5	Very high	89.5	Confident	15 Å²	15	60.4 Å²	60.4	6%	0.059	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.9	-173.2	-56.4	-84.3	0	0	0	112.8	F371 A394 A395 V406 I420 R422 L450 A451	F371-Y408 HydrophobicContact CE1-CE1 4.27Å; F371-Y408 HydrophobicContact CZ-CD1 4.49Å; F371-Y408 HydrophobicContact CZ-CE1 4.44Å; A394-Y408 WeakPolarHBondContact CA-OH 3.06Å; A395-Y408 HydrophobicContact CB-CE1 4.19Å; A395-Y408 PolarHBondContact N-OH 2.83Å; A395-Y408 PolarHBondContact O-OH 3.23Å; V406-Y408 HydrophobicContact CG1-CE1 4.01Å; V406-Y408 HydrophobicContact CG1-CE2 4.13Å; Y408-I420 HydrophobicContact CD1-CD1 4.05Å; Y408-I420 HydrophobicContact CG-CD1 4.12Å; Y408-I420 HydrophobicContact CG-CG1 4.42Å; Y408-R422 WeakPolarHBondContact CD2-O 3.4Å; Y408-R422 PolarHBondContact N-O 2.84Å; Y408-L450 WeakPolarHBondContact CA-O 3.39Å; Y408-A451 HydrophobicContact CD1-CB 4.09Å; Y408-A451 HydrophobicContact CE1-CB 3.91Å
409	S	94.9	Very high	89.8	Confident	40 Å²	40	65.1 Å²	65.1	28%	0.28	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	159.7	168.1	46.9	0	0	0	0	111.7	F449 L450 Y452	S409-F449 WeakPolarHBondContact O-CA 3.37Å; S409-L450 PolarHBondContact N-O 2.76Å; S409-L450 PolarHBondContact O-N 3.05Å; S409-Y452 WeakPolarHBondContact OG-CE1 3.17Å
410	K	94.9	Very high	90.1	Very high	68 Å²	68	65.5 Å²	65.5	30%	0.296	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	131.8	174.1	-165.3	171.4	82.9	167.9	0	108.7	D413 N416 L418 F449	K410-D413 HydrophobicContact CD-CB 3.47Å; K410-D413 VanDerWaalsContact CD-CB 3.47Å; K410-D413 WeakPolarHBondContact CD-OD2 3.49Å; K410-D413 WeakPolarHBondContact CE-OD2 3.37Å; K410-D413 HydrophobicContact CG-CB 3.92Å; K410-D413 IonicContact NZ-OD2 3.87Å; K410-D413 PolarHBondContact NZ-OD2 2.95Å; K410-N416 PolarHBondContact NZ-OD1 2.93Å; K410-L418 VanDerWaalsContact CD-O 3.23Å; K410-L418 WeakPolarHBondContact CD-O 3.35Å; K410-L418 PolarHBondContact NZ-O 3.37Å; K410-L418 VanDerWaalsContact NZ-O 3.1Å; K410-F449 HydrophobicContact CB-CD1 4.3Å; K410-F449 HydrophobicContact CB-CE1 4.25Å; K410-F449 HydrophobicContact CD-CE1 4.35Å; K410-F449 HydrophobicContact CG-CD1 4.24Å; K410-F449 HydrophobicContact CG-CE1 3.86Å
411	L	93.9	Very high	90.8	Very high	106 Å²	106	61.9 Å²	61.9	56%	0.555	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	-61.3	178.9	178.4	62.3	0	0	0	110.1	T448 T462	L411-T448 WeakPolarHBondContact CB-O 3.25Å; L411-T448 PolarHBondContact N-O 3.24Å; L411-T462 HydrophobicContact CD2-CG2 3.86Å
412	S	95.2	Very high	91.5	Very high	55 Å²	55	63.1 Å²	63.1	39%	0.385	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.3	173.7	-168.3	0	0	0	0	111.6	A447 T448	S412-A447 CarbonylContact O-C 3.57Å; S412-A447 VanDerWaalsContact O-CA 3.31Å; S412-A447 WeakPolarHBondContact O-CA 3.32Å; S412-A447 WeakPolarHBondContact O-CB 3.26Å; S412-T448 VanDerWaalsContact CB-OG1 3.27Å; S412-T448 WeakPolarHBondContact CB-OG1 3.32Å; S412-T448 PolarHBondContact N-O 2.68Å; S412-T448 PolarHBondContact N-OG1 3.18Å; S412-T448 VanDerWaalsContact N-OG1 3.07Å; S412-T448 PolarHBondContact O-N 3.13Å
413	D	94.6	Very high	92.4	Very high	8 Å²	8	65.2 Å²	65.2	4%	0.043	33%	0.33	C	S	.	.			trans	-161.2	82.5	179.6	175	30.2	0	0	0	107.7	K410 A415 N416 W417 L418 Y445 A447	K410-D413 HydrophobicContact CD-CB 3.47Å; K410-D413 VanDerWaalsContact CD-CB 3.47Å; K410-D413 WeakPolarHBondContact CD-OD2 3.49Å; K410-D413 WeakPolarHBondContact CE-OD2 3.37Å; K410-D413 HydrophobicContact CG-CB 3.92Å; K410-D413 IonicContact NZ-OD2 3.87Å; K410-D413 PolarHBondContact NZ-OD2 2.95Å; D413-A415 VanDerWaalsContact C-N 3.33Å; D413-A415 PolarHBondContact O-N 2.85Å; D413-N416 WeakPolarHBondContact O-CA 3.43Å; D413-N416 PolarHBondContact O-N 2.68Å; D413-N416 WeakPolarHBondContact OD2-CA 3.33Å; D413-W417 PolarHBondContact OD2-N 2.99Å; D413-L418 PolarHBondContact OD2-N 2.99Å; D413-Y445 VanDerWaalsContact OD1-CE1 3.32Å; D413-Y445 WeakPolarHBondContact OD1-CE1 3.15Å; D413-Y445 PolarHBondContact OD1-OH 3.4Å; D413-A447 HydrophobicContact CB-CB 4.35Å
414	P	93.9	Very high	93.2	Very high	61 Å²	61	59.6 Å²	59.6	40%	0.396	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-38.8	-162.3	-30.3	37	0	0	0	115.4	Y439	P414-Y439 HydrophobicContact CB-CD1 3.47Å; P414-Y439 VanDerWaalsContact CB-CD1 3.47Å; P414-Y439 HydrophobicContact CB-CE1 3.98Å; P414-Y439 HydrophobicContact CB-CG 4.18Å
415	A	92.5	Very high	93.7	Very high	22 Å²	22	58.3 Å²	58.3	18%	0.182	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-2	178.7	0	0	0	0	0	113.8	D413 W417 Y439 Y445	D413-A415 VanDerWaalsContact C-N 3.33Å; D413-A415 PolarHBondContact O-N 2.85Å; A415-W417 HydrophobicContact CB-CD2 3.55Å; A415-W417 HydrophobicContact CB-CE3 4.15Å; A415-W417 HydrophobicContact CB-CG 3.81Å; A415-W417 HydrophobicContact CB-CH2 4.28Å; A415-W417 HydrophobicContact CB-CZ2 3.75Å; A415-W417 HydrophobicContact CB-CZ3 4.48Å; A415-W417 PolarHBondContact O-N 3.45Å; A415-Y439 HydrophobicContact CB-CD2 3.48Å; A415-Y439 VanDerWaalsContact CB-CD2 3.48Å; A415-Y439 HydrophobicContact CB-CE2 3.95Å; A415-Y439 HydrophobicContact CB-CG 3.9Å; A415-Y445 HydrophobicContact CB-CE2 3.81Å; A415-Y445 WeakPolarHBondContact CB-OH 3.25Å; A415-Y445 PolarHBondContact N-OH 2.89Å
416	N	93.8	Very high	94.1	Very high	98 Å²	98	56.3 Å²	56.3	52%	0.524	29%	0.289	S	S	.	.			trans	55.9	29.7	-174.5	-83.6	-81.1	0	0	0	115.2	K410 D413 L418	K410-N416 PolarHBondContact NZ-OD1 2.93Å; D413-N416 WeakPolarHBondContact O-CA 3.43Å; D413-N416 PolarHBondContact O-N 2.68Å; D413-N416 WeakPolarHBondContact OD2-CA 3.33Å; N416-L418 VanDerWaalsContact C-N 3.32Å; N416-L418 PolarHBondContact O-N 3.29Å
417	W	94.6	Very high	94.3	Very high	16 Å²	16	55.1 Å²	55.1	6%	0.061	28%	0.282	C	S	.	.			trans	-75.6	-15.1	-178.6	-66.5	-17.4	0	0	0	114.5	D413 A415 T429 M430 L433 D434 V440 Y445 L469	D413-W417 PolarHBondContact OD2-N 2.99Å; A415-W417 HydrophobicContact CB-CD2 3.55Å; A415-W417 HydrophobicContact CB-CE3 4.15Å; A415-W417 HydrophobicContact CB-CG 3.81Å; A415-W417 HydrophobicContact CB-CH2 4.28Å; A415-W417 HydrophobicContact CB-CZ2 3.75Å; A415-W417 HydrophobicContact CB-CZ3 4.48Å; A415-W417 PolarHBondContact O-N 3.45Å; W417-T429 CarbonylContact O-C 3.6Å; W417-T429 WeakPolarHBondContact O-CA 3.39Å; W417-M430 PolarHBondContact O-N 3.11Å; W417-L433 HydrophobicContact CB-CD2 3.9Å; W417-L433 HydrophobicContact CD2-CD2 3.96Å; W417-L433 HydrophobicContact CE3-CD2 3.57Å; W417-L433 HydrophobicContact CG-CD2 4.16Å; W417-L433 HydrophobicContact CZ3-CD2 4.41Å; W417-D434 WeakPolarHBondContact CH2-O 3.15Å; W417-D434 HydrophobicContact CZ2-CB 4.35Å; W417-V440 HydrophobicContact CH2-CG2 3.8Å; W417-V440 HydrophobicContact CZ3-CG2 3.93Å; W417-Y445 HydrophobicContact CD2-CE2 4.35Å; W417-Y445 HydrophobicContact CE3-CD1 4.02Å; W417-Y445 AromaticContact CE3-CD2 3.7Å; W417-Y445 HydrophobicContact CE3-CD2 3.7Å; W417-Y445 AromaticContact CE3-CE1 3.95Å; W417-Y445 HydrophobicContact CE3-CE1 3.95Å; W417-Y445 AromaticContact CE3-CE2 3.61Å; W417-Y445 HydrophobicContact CE3-CE2 3.61Å; W417-Y445 AromaticContact CE3-CG 3.89Å; W417-Y445 HydrophobicContact CE3-CG 3.89Å; W417-Y445 AromaticContact CE3-CZ 3.74Å; W417-Y445 HydrophobicContact CH2-CD2 4.17Å; W417-Y445 HydrophobicContact CH2-CE2 4.29Å; W417-Y445 HydrophobicContact CZ3-CD1 4.33Å; W417-Y445 AromaticContact CZ3-CD2 3.32Å; W417-Y445 HydrophobicContact CZ3-CD2 3.32Å; W417-Y445 AromaticContact CZ3-CE2 3.59Å; W417-Y445 HydrophobicContact CZ3-CE2 3.59Å; W417-Y445 AromaticContact CZ3-CG 3.72Å; W417-Y445 HydrophobicContact CZ3-CG 3.72Å; W417-L469 HydrophobicContact CZ3-CD1 4.32Å
418	L	95.5	Very high	94.3	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	147.1	-166.7	-56.6	178.8	0	0	0	113.5	L390 K410 D413 N416 I427 Y445 A447 F449 L465 I467	L390-L418 HydrophobicContact CD1-CD2 3.62Å; K410-L418 VanDerWaalsContact CD-O 3.23Å; K410-L418 WeakPolarHBondContact CD-O 3.35Å; K410-L418 PolarHBondContact NZ-O 3.37Å; K410-L418 VanDerWaalsContact NZ-O 3.1Å; D413-L418 PolarHBondContact OD2-N 2.99Å; N416-L418 VanDerWaalsContact C-N 3.32Å; N416-L418 PolarHBondContact O-N 3.29Å; L418-I427 HydrophobicContact CB-CG2 4.45Å; L418-I427 HydrophobicContact CD2-CG2 4.24Å; L418-Y445 HydrophobicContact CD1-CD1 4.42Å; L418-Y445 HydrophobicContact CD1-CE1 4.04Å; L418-Y445 HydrophobicContact CG-CE1 4.36Å; L418-A447 HydrophobicContact CD1-CB 3.6Å; L418-F449 HydrophobicContact CB-CZ 4.11Å; L418-F449 HydrophobicContact CD1-CE2 4.39Å; L418-F449 HydrophobicContact CD1-CZ 3.95Å; L418-L465 HydrophobicContact CD1-CD2 4.21Å; L418-I467 HydrophobicContact CD1-CD1 3.82Å; L418-I467 HydrophobicContact CD2-CD1 3.97Å
419	K	94.6	Very high	94.3	Very high	122 Å²	122	51.5 Å²	51.5	53%	0.53	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	125.5	170.8	-179.6	174.7	-178.9	178.4	0	110	I427 T428 M430	K419-I427 CarbonylContact O-C 3.53Å; K419-I427 WeakPolarHBondContact O-CA 3.34Å; K419-T428 PolarHBondContact N-O 2.98Å; K419-T428 PolarHBondContact O-N 2.79Å; K419-M430 HydrophobicContact CB-CG 3.69Å; K419-M430 HydrophobicContact CB-SD 3.82Å; K419-M430 HydrophobicContact CD-CG 4.5Å; K419-M430 HydrophobicContact CD-SD 4.37Å; K419-M430 HydrophobicContact CG-SD 4.48Å
420	I	95.8	Very high	94.2	Very high	16 Å²	16	55 Å²	55	8%	0.082	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	142.9	167.7	-163.8	157.4	0	0	0	110.4	Y408 Q426 I427 F449	Y408-I420 HydrophobicContact CD1-CD1 4.05Å; Y408-I420 HydrophobicContact CG-CD1 4.12Å; Y408-I420 HydrophobicContact CG-CG1 4.42Å; I420-Q426 CarbonylContact C-O 3.6Å; I420-Q426 WeakPolarHBondContact CA-O 3.27Å; I420-I427 HydrophobicContact CB-CG1 4.19Å; I420-I427 HydrophobicContact CD1-CD1 4.2Å; I420-I427 HydrophobicContact CD1-CG1 3.98Å; I420-I427 HydrophobicContact CG1-CG1 3.92Å; I420-F449 HydrophobicContact CB-CD1 3.75Å; I420-F449 HydrophobicContact CB-CE1 3.84Å; I420-F449 HydrophobicContact CD1-CB 4.14Å; I420-F449 HydrophobicContact CD1-CD1 3.77Å; I420-F449 HydrophobicContact CD1-CE1 4.46Å; I420-F449 HydrophobicContact CD1-CG 4.02Å; I420-F449 HydrophobicContact CG1-CD1 4.38Å; I420-F449 HydrophobicContact CG2-CD1 3.77Å; I420-F449 HydrophobicContact CG2-CE1 4.14Å
421	N	95.3	Very high	94	Very high	67 Å²	67	53.6 Å²	53.6	36%	0.358	29%	0.286	S	S	.	.			trans	-85.7	121.8	172.5	179.1	7.8	0	0	0	110.5	T423 N424 G425 Q426	N421-T423 PolarHBondContact O-N 3.34Å; N421-N424 VanDerWaalsContact CB-OD1 3.22Å; N421-N424 WeakPolarHBondContact CB-OD1 3.34Å; N421-N424 VanDerWaalsContact CG-OD1 3.24Å; N421-N424 PolarHBondContact ND2-OD1 3.14Å; N421-N424 PolarHBondContact O-N 2.87Å; N421-G425 PolarHBondContact O-N 2.84Å; N421-G425 VanDerWaalsContact O-N 3.15Å; N421-Q426 HydrophobicContact CB-CB 4.28Å; N421-Q426 PolarHBondContact N-O 2.8Å
422	R	93.4	Very high	93.9	Very high	129 Å²	129	53.5 Å²	53.5	49%	0.487	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.4	-170.4	-169.7	175.8	-172.1	-160.9	5.7	115	R407 Y408 Y452	R407-R422 WeakPolarHBondContact CA-O 3.41Å; R407-R422 HydrophobicContact CB-CG 4.25Å; R407-R422 HydrophobicContact CG-CG 4.46Å; Y408-R422 WeakPolarHBondContact CD2-O 3.4Å; Y408-R422 PolarHBondContact N-O 2.84Å; R422-Y452 PolarHBondContact NE-OH 2.81Å; R422-Y452 PolarHBondContact NH2-OH 3.12Å
423	T	92.3	Very high	93.8	Very high	111 Å²	111	51 Å²	51	68%	0.681	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-12.8	-173.9	56.7	0	0	0	0	116	N421	N421-T423 PolarHBondContact O-N 3.34Å
424	N	91.4	Very high	93.7	Very high	65 Å²	65	53.4 Å²	53.4	35%	0.348	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.2	6.2	-176.7	78.2	-12.8	0	0	0	114.8	V392 N421 Q426	V392-N424 WeakPolarHBondContact CG1-O 3.22Å; N421-N424 VanDerWaalsContact CB-OD1 3.22Å; N421-N424 WeakPolarHBondContact CB-OD1 3.34Å; N421-N424 VanDerWaalsContact CG-OD1 3.24Å; N421-N424 PolarHBondContact ND2-OD1 3.14Å; N421-N424 PolarHBondContact O-N 2.87Å; N424-Q426 PolarHBondContact ND2-OE1 3.06Å; N424-Q426 PolarHBondContact O-N 3.25Å; N424-Q426 VanDerWaalsContact O-N 3.09Å; N424-Q426 WeakPolarHBondContact OD1-CB 3.4Å; N424-Q426 PolarHBondContact OD1-N 3.16Å
425	G	92.3	Very high	93.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.267	C	S	.	.			trans	66.3	8.3	178.8	0	0	0	0	0	114.9	F393 N421 I427	F393-G425 CarbonylContact C-O 3.53Å; F393-G425 PolarHBondContact N-O 2.84Å; N421-G425 PolarHBondContact O-N 2.84Å; N421-G425 VanDerWaalsContact O-N 3.15Å; G425-I427 PolarHBondContact O-N 2.85Å
426	Q	95.5	Very high	93.6	Very high	62 Å²	62	53.4 Å²	53.4	29%	0.29	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.8	-178.7	-172.2	175.3	16.4	0	0	110.9	T389 V392 I420 N421 N424	T389-Q426 VanDerWaalsContact CG2-NE2 3.29Å; V392-Q426 HydrophobicContact CG2-CB 4.38Å; V392-Q426 HydrophobicContact CG2-CG 4.38Å; I420-Q426 CarbonylContact C-O 3.6Å; I420-Q426 WeakPolarHBondContact CA-O 3.27Å; N421-Q426 HydrophobicContact CB-CB 4.28Å; N421-Q426 PolarHBondContact N-O 2.8Å; N424-Q426 PolarHBondContact ND2-OE1 3.06Å; N424-Q426 PolarHBondContact O-N 3.25Å; N424-Q426 VanDerWaalsContact O-N 3.09Å; N424-Q426 WeakPolarHBondContact OD1-CB 3.4Å; N424-Q426 PolarHBondContact OD1-N 3.16Å
427	I	95.6	Very high	93.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.7	-178.7	-61.9	178.6	0	0	0	110	L390 T391 F393 L418 K419 I420 G425 F449 L465	L390-I427 HydrophobicContact CD1-CG2 4.42Å; L390-I427 PolarHBondContact N-O 2.94Å; T391-I427 PolarHBondContact O-N 2.84Å; F393-I427 HydrophobicContact CB-CD1 3.67Å; F393-I427 HydrophobicContact CB-CG1 4.34Å; F393-I427 HydrophobicContact CD1-CD1 4.08Å; F393-I427 HydrophobicContact CG-CD1 4.32Å; L418-I427 HydrophobicContact CB-CG2 4.45Å; L418-I427 HydrophobicContact CD2-CG2 4.24Å; K419-I427 CarbonylContact O-C 3.53Å; K419-I427 WeakPolarHBondContact O-CA 3.34Å; I420-I427 HydrophobicContact CB-CG1 4.19Å; I420-I427 HydrophobicContact CD1-CD1 4.2Å; I420-I427 HydrophobicContact CD1-CG1 3.98Å; I420-I427 HydrophobicContact CG1-CG1 3.92Å; G425-I427 PolarHBondContact O-N 2.85Å; I427-F449 HydrophobicContact CD1-CD2 4.04Å; I427-F449 HydrophobicContact CD1-CE1 4.26Å; I427-F449 HydrophobicContact CD1-CE2 3.69Å; I427-F449 HydrophobicContact CD1-CG 4.48Å; I427-F449 HydrophobicContact CD1-CZ 3.81Å; I427-F449 HydrophobicContact CG1-CZ 4.47Å; I427-F449 HydrophobicContact CG2-CZ 4.49Å; I427-L465 HydrophobicContact CD1-CD2 3.83Å; I427-L465 HydrophobicContact CG2-CD2 4.43Å
428	T	94.6	Very high	93.4	Very high	32 Å²	32	56.4 Å²	56.4	20%	0.196	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153.6	175.6	53	0	0	0	0	112.3	T388 T389 K419	T388-T428 CarbonylContact O-C 3.58Å; T388-T428 WeakPolarHBondContact O-CA 3.4Å; T389-T428 HydrophobicContact CG2-CG2 3.74Å; K419-T428 PolarHBondContact N-O 2.98Å; K419-T428 PolarHBondContact O-N 2.79Å
429	T	95.1	Very high	93.3	Very high	4 Å²	4	61 Å²	61	3%	0.025	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	141.2	171.4	53.8	0	0	0	0	111.5	V384 P385 A386 G387 T388 L390 W417 L433	V384-T429 HydrophobicContact CG1-CG2 4.4Å; P385-T429 PolarHBondContact O-OG1 3.43Å; A386-T429 WeakPolarHBondContact CA-OG1 3.32Å; G387-T429 PolarHBondContact N-O 2.91Å; G387-T429 PolarHBondContact N-OG1 3.25Å; G387-T429 VanDerWaalsContact N-OG1 3.17Å; T388-T429 PolarHBondContact N-OG1 2.78Å; T388-T429 PolarHBondContact O-N 3.45Å; L390-T429 HydrophobicContact CD1-CG2 4.05Å; L390-T429 HydrophobicContact CD2-CG2 3.96Å; L390-T429 HydrophobicContact CG-CG2 4.09Å; W417-T429 CarbonylContact O-C 3.6Å; W417-T429 WeakPolarHBondContact O-CA 3.39Å; T429-L433 HydrophobicContact CG2-CD1 4.06Å; T429-L433 HydrophobicContact CG2-CD2 4.38Å; T429-L433 HydrophobicContact CG2-CG 4.09Å
430	M	93.1	Very high	93.2	Very high	114 Å²	114	56 Å²	56	56%	0.562	29%	0.285	S	S	*	.	S	Bend	trans	-103.9	-25.1	169.6	-75	-168.2	55.8	0	0	112.9	A386 W417 K419	A386-M430 WeakPolarHBondContact CB-O 3.28Å; W417-M430 PolarHBondContact O-N 3.11Å; K419-M430 HydrophobicContact CB-CG 3.69Å; K419-M430 HydrophobicContact CB-SD 3.82Å; K419-M430 HydrophobicContact CD-CG 4.5Å; K419-M430 HydrophobicContact CD-SD 4.37Å; K419-M430 HydrophobicContact CG-SD 4.48Å
431	A	91.3	Very high	93	Very high	37 Å²	37	61.3 Å²	61.3	31%	0.306	31%	0.307	S	S	.	.	S	Bend	trans	-131.6	-177.4	177.1	0	0	0	0	0	109.6
432	L	91.1	Very high	92.7	Very high	105 Å²	105	65.6 Å²	65.6	55%	0.55	33%	0.33	S	S	.	.			trans	-68.3	143.6	163.5	-59	172.8	0	0	0	108.9	G383	G383-L432 WeakPolarHBondContact O-CD2 3.11Å
433	L	92.4	Very high	92.6	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.016	33%	0.325	C	S	.	.			trans	-84.6	138	165.2	-58.7	173.3	0	0	0	107.8	G383 L390 W417 T429 L469	G383-L433 PolarHBondContact N-O 3.13Å; L390-L433 HydrophobicContact CD1-CD1 4.5Å; L390-L433 HydrophobicContact CD2-CD1 4.34Å; W417-L433 HydrophobicContact CB-CD2 3.9Å; W417-L433 HydrophobicContact CD2-CD2 3.96Å; W417-L433 HydrophobicContact CE3-CD2 3.57Å; W417-L433 HydrophobicContact CG-CD2 4.16Å; W417-L433 HydrophobicContact CZ3-CD2 4.41Å; T429-L433 HydrophobicContact CG2-CD1 4.06Å; T429-L433 HydrophobicContact CG2-CD2 4.38Å; T429-L433 HydrophobicContact CG2-CG 4.09Å; L433-L469 HydrophobicContact CB-CD2 3.95Å; L433-L469 HydrophobicContact CD1-CD2 3.99Å; L433-L469 HydrophobicContact CG-CD2 4.48Å
434	D	92.8	Very high	92.6	Very high	58 Å²	58	59.3 Å²	59.3	31%	0.31	30%	0.301	S	S	.	.			trans	-140.3	125.5	-175.3	120.1	51	0	0	0	108	W417 E436 S437 V440	W417-D434 WeakPolarHBondContact CH2-O 3.15Å; W417-D434 HydrophobicContact CZ2-CB 4.35Å; D434-E436 PolarHBondContact OD1-N 3.39Å; D434-S437 VanDerWaalsContact CG-CB 3.41Å; D434-S437 WeakPolarHBondContact OD1-CA 3.41Å; D434-S437 VanDerWaalsContact OD1-CB 3.31Å; D434-S437 WeakPolarHBondContact OD1-CB 3.49Å; D434-S437 PolarHBondContact OD1-N 2.96Å; D434-S437 WeakPolarHBondContact OD2-CB 3.46Å; D434-S437 PolarHBondContact OD2-OG 2.89Å; D434-V440 WeakPolarHBondContact O-CG2 3.34Å
435	R	93.3	Very high	92.8	Very high	29 Å²	29	56.3 Å²	56.3	11%	0.109	29%	0.285	C	S	.	.	S	Bend	trans	-84.9	-29	-170.2	-173.2	-164	70	83.5	7.2	111.9	E382 S437 V440 N443 L469 D471 A503 D504	E382-R435 WeakPolarHBondContact OE2-CB 3.47Å; E382-R435 PolarHBondContact OE2-N 2.87Å; R435-S437 PolarHBondContact O-N 3.02Å; R435-V440 HydrophobicContact CG-CG1 4.48Å; R435-V440 WeakPolarHBondContact O-CB 3.46Å; R435-N443 PolarHBondContact NH1-OD1 2.96Å; R435-L469 HydrophobicContact CB-CB 4.16Å; R435-L469 HydrophobicContact CB-CD1 4.28Å; R435-L469 HydrophobicContact CG-CB 4.05Å; R435-D471 IonicContact CZ-OD1 3.18Å; R435-D471 IonicContact NE-OD1 2.8Å; R435-D471 PolarHBondContact NE-OD1 2.87Å; R435-D471 IonicContact NH2-OD1 2.76Å; R435-D471 PolarHBondContact NH2-OD1 3.04Å; R435-A503 PolarHBondContact NH2-O 3.33Å; R435-A503 VanDerWaalsContact NH2-O 3.11Å; R435-D504 VanDerWaalsContact NH2-C 3.27Å
436	E	92.4	Very high	93	Very high	53 Å²	53	60.5 Å²	60.5	25%	0.248	30%	0.304	C	S	.	.	S	Bend	trans	-75.4	-15.3	-179.9	-66.2	61.7	-129.6	0	0	112.1	D434 A503	D434-E436 PolarHBondContact OD1-N 3.39Å; E436-A503 HydrophobicContact CB-CB 4.31Å; E436-A503 HydrophobicContact CG-CB 3.55Å
437	S	91.9	Very high	93	Very high	23 Å²	23	57.6 Å²	57.6	16%	0.161	29%	0.291	C	S	.	.	S	Bend	trans	-54.1	135.8	176.7	-124.7	0	0	0	0	112.7	D434 R435 Y439 V440	D434-S437 VanDerWaalsContact CG-CB 3.41Å; D434-S437 WeakPolarHBondContact OD1-CA 3.41Å; D434-S437 VanDerWaalsContact OD1-CB 3.31Å; D434-S437 WeakPolarHBondContact OD1-CB 3.49Å; D434-S437 PolarHBondContact OD1-N 2.96Å; D434-S437 WeakPolarHBondContact OD2-CB 3.46Å; D434-S437 PolarHBondContact OD2-OG 2.89Å; R435-S437 PolarHBondContact O-N 3.02Å; S437-Y439 PolarHBondContact O-N 2.71Å; S437-V440 PolarHBondContact O-N 2.93Å
438	M	92	Very high	93	Very high	154 Å²	154	59 Å²	59	76%	0.759	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-8.9	178.5	68.3	-177	-176.5	0	0	115.6
439	Y	92.5	Very high	93.1	Very high	96 Å²	96	57.5 Å²	57.5	38%	0.376	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-15.8	175.5	-57	-71.2	0	0	0	113.5	P414 A415 S437	P414-Y439 HydrophobicContact CB-CD1 3.47Å; P414-Y439 VanDerWaalsContact CB-CD1 3.47Å; P414-Y439 HydrophobicContact CB-CE1 3.98Å; P414-Y439 HydrophobicContact CB-CG 4.18Å; A415-Y439 HydrophobicContact CB-CD2 3.48Å; A415-Y439 VanDerWaalsContact CB-CD2 3.48Å; A415-Y439 HydrophobicContact CB-CE2 3.95Å; A415-Y439 HydrophobicContact CB-CG 3.9Å; S437-Y439 PolarHBondContact O-N 2.71Å
440	V	93.2	Very high	93.1	Very high	19 Å²	19	59 Å²	59	12%	0.115	30%	0.298	C	S	.	.			trans	-89.1	132.7	176.7	-177	0	0	0	0	108.6	W417 D434 R435 S437 Y445 L469	W417-V440 HydrophobicContact CH2-CG2 3.8Å; W417-V440 HydrophobicContact CZ3-CG2 3.93Å; D434-V440 WeakPolarHBondContact O-CG2 3.34Å; R435-V440 HydrophobicContact CG-CG1 4.48Å; R435-V440 WeakPolarHBondContact O-CB 3.46Å; S437-V440 PolarHBondContact O-N 2.93Å; V440-Y445 HydrophobicContact CG2-CD2 4.18Å; V440-L469 HydrophobicContact CG1-CD1 4.48Å; V440-L469 HydrophobicContact CG2-CD1 3.9Å
441	K	91.1	Very high	93.2	Very high	126 Å²	126	53.6 Å²	53.6	55%	0.548	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-125.4	127.3	177.7	-64.3	176.1	-175.5	170.3	0	108.4	N443 M444	K441-N443 VanDerWaalsContact C-N 3.31Å; K441-N443 PolarHBondContact O-N 2.93Å; K441-M444 PolarHBondContact N-O 2.84Å; K441-M444 WeakPolarHBondContact O-CA 3.46Å; K441-M444 WeakPolarHBondContact O-CB 3.25Å; K441-M444 PolarHBondContact O-N 2.9Å; K441-M444 VanDerWaalsContact O-O 3.12Å
442	N	89.4	Confident	93.3	Very high	158 Å²	158	53.4 Å²	53.4	85%	0.845	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	44	179.5	-54.6	-18.6	0	0	0	113.6	M444	N442-M444 PolarHBondContact O-N 2.87Å
443	N	90.4	Very high	93.4	Very high	70 Å²	70	48.4 Å²	48.4	37%	0.374	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	17.1	-173.5	-57	-18.2	0	0	0	115	R435 K441 Y468 L469	R435-N443 PolarHBondContact NH1-OD1 2.96Å; K441-N443 VanDerWaalsContact C-N 3.31Å; K441-N443 PolarHBondContact O-N 2.93Å; N443-Y468 WeakPolarHBondContact O-CA 3.42Å; N443-L469 PolarHBondContact O-N 3.44Å
444	M	94.3	Very high	93.3	Very high	38 Å²	38	51.8 Å²	51.8	19%	0.187	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.8	179.2	-167.4	174.7	75.7	0	0	110.7	K441 N442 Q466 I467 Y468	K441-M444 PolarHBondContact N-O 2.84Å; K441-M444 WeakPolarHBondContact O-CA 3.46Å; K441-M444 WeakPolarHBondContact O-CB 3.25Å; K441-M444 PolarHBondContact O-N 2.9Å; K441-M444 VanDerWaalsContact O-O 3.12Å; N442-M444 PolarHBondContact O-N 2.87Å; M444-Q466 HydrophobicContact CE-CG 3.99Å; M444-Q466 HydrophobicContact CG-CB 4.12Å; M444-Q466 HydrophobicContact CG-CG 4.39Å; M444-Q466 HydrophobicContact SD-CB 3.69Å; M444-Q466 HydrophobicContact SD-CG 3.65Å; M444-I467 WeakPolarHBondContact CA-O 3.39Å; M444-Y468 HydrophobicContact CB-CD1 4.19Å; M444-Y468 HydrophobicContact CB-CE1 4.05Å; M444-Y468 HydrophobicContact CG-CD1 4.4Å; M444-Y468 HydrophobicContact CG-CE1 4.18Å; M444-Y468 HydrophobicContact CG-CE2 4.48Å; M444-Y468 HydrophobicContact SD-CE1 4.02Å; M444-Y468 HydrophobicContact SD-CE2 4.04Å
445	Y	94.9	Very high	92.9	Very high	1 Å²	1	50 Å²	50	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.6	166.4	-174.1	-100.9	0	0	0	109.2	D413 A415 W417 L418 V440 A447 I467	D413-Y445 VanDerWaalsContact OD1-CE1 3.32Å; D413-Y445 WeakPolarHBondContact OD1-CE1 3.15Å; D413-Y445 PolarHBondContact OD1-OH 3.4Å; A415-Y445 HydrophobicContact CB-CE2 3.81Å; A415-Y445 WeakPolarHBondContact CB-OH 3.25Å; A415-Y445 PolarHBondContact N-OH 2.89Å; W417-Y445 HydrophobicContact CD2-CE2 4.35Å; W417-Y445 HydrophobicContact CE3-CD1 4.02Å; W417-Y445 AromaticContact CE3-CD2 3.7Å; W417-Y445 HydrophobicContact CE3-CD2 3.7Å; W417-Y445 AromaticContact CE3-CE1 3.95Å; W417-Y445 HydrophobicContact CE3-CE1 3.95Å; W417-Y445 AromaticContact CE3-CE2 3.61Å; W417-Y445 HydrophobicContact CE3-CE2 3.61Å; W417-Y445 AromaticContact CE3-CG 3.89Å; W417-Y445 HydrophobicContact CE3-CG 3.89Å; W417-Y445 AromaticContact CE3-CZ 3.74Å; W417-Y445 HydrophobicContact CH2-CD2 4.17Å; W417-Y445 HydrophobicContact CH2-CE2 4.29Å; W417-Y445 HydrophobicContact CZ3-CD1 4.33Å; W417-Y445 AromaticContact CZ3-CD2 3.32Å; W417-Y445 HydrophobicContact CZ3-CD2 3.32Å; W417-Y445 AromaticContact CZ3-CE2 3.59Å; W417-Y445 HydrophobicContact CZ3-CE2 3.59Å; W417-Y445 AromaticContact CZ3-CG 3.72Å; W417-Y445 HydrophobicContact CZ3-CG 3.72Å; L418-Y445 HydrophobicContact CD1-CD1 4.42Å; L418-Y445 HydrophobicContact CD1-CE1 4.04Å; L418-Y445 HydrophobicContact CG-CE1 4.36Å; V440-Y445 HydrophobicContact CG2-CD2 4.18Å; Y445-A447 HydrophobicContact CE1-CB 4.25Å; Y445-I467 HydrophobicContact CD1-CD1 4.31Å; Y445-I467 PolarHBondContact N-O 2.84Å; Y445-I467 PolarHBondContact O-N 2.74Å
446	E	95.3	Very high	92.4	Very high	88 Å²	88	54.2 Å²	54.2	41%	0.411	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.9	-173.5	-172.1	158.2	-133	0	0	110.7	T464 L465 Q466	E446-T464 HydrophobicContact CG-CG2 3.73Å; E446-T464 VanDerWaalsContact OE1-CG2 3.23Å; E446-T464 WeakPolarHBondContact OE1-CG2 3.23Å; E446-L465 WeakPolarHBondContact CA-O 3.25Å; E446-Q466 HydrophobicContact CG-CG 4.25Å; E446-Q466 WeakPolarHBondContact OE1-CG 3.49Å; E446-Q466 PolarHBondContact OE1-NE2 2.8Å
447	A	95.5	Very high	92.2	Very high	2 Å²	2	56.5 Å²	56.5	2%	0.017	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.2	-179.8	0	0	0	0	0	110.6	S412 D413 L418 Y445 F449 L465	S412-A447 CarbonylContact O-C 3.57Å; S412-A447 VanDerWaalsContact O-CA 3.31Å; S412-A447 WeakPolarHBondContact O-CA 3.32Å; S412-A447 WeakPolarHBondContact O-CB 3.26Å; D413-A447 HydrophobicContact CB-CB 4.35Å; L418-A447 HydrophobicContact CD1-CB 3.6Å; Y445-A447 HydrophobicContact CE1-CB 4.25Å; A447-F449 HydrophobicContact CB-CE2 3.95Å; A447-F449 HydrophobicContact CB-CZ 4.23Å; A447-L465 PolarHBondContact N-O 3.08Å; A447-L465 PolarHBondContact O-N 3.19Å
448	T	96.4	Very high	92	Very high	29 Å²	29	61.2 Å²	61.2	18%	0.178	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	140.8	-178.7	60.6	0	0	0	0	111.6	L411 S412 G463 T464	L411-T448 WeakPolarHBondContact CB-O 3.25Å; L411-T448 PolarHBondContact N-O 3.24Å; S412-T448 VanDerWaalsContact CB-OG1 3.27Å; S412-T448 WeakPolarHBondContact CB-OG1 3.32Å; S412-T448 PolarHBondContact N-O 2.68Å; S412-T448 PolarHBondContact N-OG1 3.18Å; S412-T448 VanDerWaalsContact N-OG1 3.07Å; S412-T448 PolarHBondContact O-N 3.13Å; T448-G463 WeakPolarHBondContact CA-O 3.33Å; T448-T464 HydrophobicContact CG2-CG2 4.44Å
449	F	95.9	Very high	92	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.7	-178.1	-62	-84.8	0	0	0	109.5	F393 S409 K410 L418 I420 I427 A447 G463 L465	F393-F449 HydrophobicContact CD1-CB 4.3Å; F393-F449 HydrophobicContact CD1-CD2 4Å; F393-F449 HydrophobicContact CD1-CG 4.38Å; F393-F449 HydrophobicContact CE1-CB 4.27Å; F393-F449 HydrophobicContact CE1-CD2 4.1Å; S409-F449 WeakPolarHBondContact O-CA 3.37Å; K410-F449 HydrophobicContact CB-CD1 4.3Å; K410-F449 HydrophobicContact CB-CE1 4.25Å; K410-F449 HydrophobicContact CD-CE1 4.35Å; K410-F449 HydrophobicContact CG-CD1 4.24Å; K410-F449 HydrophobicContact CG-CE1 3.86Å; L418-F449 HydrophobicContact CB-CZ 4.11Å; L418-F449 HydrophobicContact CD1-CE2 4.39Å; L418-F449 HydrophobicContact CD1-CZ 3.95Å; I420-F449 HydrophobicContact CB-CD1 3.75Å; I420-F449 HydrophobicContact CB-CE1 3.84Å; I420-F449 HydrophobicContact CD1-CB 4.14Å; I420-F449 HydrophobicContact CD1-CD1 3.77Å; I420-F449 HydrophobicContact CD1-CE1 4.46Å; I420-F449 HydrophobicContact CD1-CG 4.02Å; I420-F449 HydrophobicContact CG1-CD1 4.38Å; I420-F449 HydrophobicContact CG2-CD1 3.77Å; I420-F449 HydrophobicContact CG2-CE1 4.14Å; I427-F449 HydrophobicContact CD1-CD2 4.04Å; I427-F449 HydrophobicContact CD1-CE1 4.26Å; I427-F449 HydrophobicContact CD1-CE2 3.69Å; I427-F449 HydrophobicContact CD1-CG 4.48Å; I427-F449 HydrophobicContact CD1-CZ 3.81Å; I427-F449 HydrophobicContact CG1-CZ 4.47Å; I427-F449 HydrophobicContact CG2-CZ 4.49Å; A447-F449 HydrophobicContact CB-CE2 3.95Å; A447-F449 HydrophobicContact CB-CZ 4.23Å; F449-G463 PolarHBondContact N-O 3.43Å; F449-G463 PolarHBondContact O-N 3.26Å; F449-L465 HydrophobicContact CD2-CB 4.2Å; F449-L465 HydrophobicContact CE2-CB 3.85Å; F449-L465 HydrophobicContact CE2-CD2 4.09Å
450	L	95.6	Very high	92.1	Very high	36 Å²	36	53.2 Å²	53.2	19%	0.188	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.9	175.5	-165.2	74.8	0	0	0	108.8	Y408 S409 Y452	Y408-L450 WeakPolarHBondContact CA-O 3.39Å; S409-L450 PolarHBondContact N-O 2.76Å; S409-L450 PolarHBondContact O-N 3.05Å; L450-Y452 HydrophobicContact CD2-CD1 4.19Å
451	A	95.4	Very high	92.1	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.6	161.6	0	0	0	0	0	108.1	P369 F371 A395 V406 R407 Y408 S460 G461	P369-A451 HydrophobicContact CB-CB 4.15Å; F371-A451 HydrophobicContact CE1-CB 4.48Å; F371-A451 HydrophobicContact CE2-CB 3.69Å; F371-A451 HydrophobicContact CZ-CB 3.6Å; A395-A451 HydrophobicContact CB-CB 3.6Å; V406-A451 HydrophobicContact CG1-CB 3.88Å; R407-A451 WeakPolarHBondContact O-CA 3.48Å; Y408-A451 HydrophobicContact CD1-CB 4.09Å; Y408-A451 HydrophobicContact CE1-CB 3.91Å; A451-S460 CarbonylContact O-C 3.56Å; A451-S460 WeakPolarHBondContact O-CA 3.37Å; A451-S460 VanDerWaalsContact O-CB 3.3Å; A451-S460 WeakPolarHBondContact O-CB 3.42Å; A451-G461 PolarHBondContact N-O 2.93Å; A451-G461 PolarHBondContact O-N 3.04Å
452	Y	93.8	Very high	92.3	Very high	34 Å²	34	50.2 Å²	50.2	13%	0.133	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143.4	178	57.6	-97.5	0	0	0	111.1	V406 R407 S409 R422 L450 A459	V406-Y452 CarbonylContact C-O 3.49Å; V406-Y452 WeakPolarHBondContact CA-O 3.47Å; R407-Y452 HydrophobicContact CB-CD2 3.81Å; R407-Y452 HydrophobicContact CB-CE1 4.23Å; R407-Y452 HydrophobicContact CB-CE2 3.38Å; R407-Y452 HydrophobicContact CB-CG 4.43Å; R407-Y452 HydrophobicContact CG-CE2 4.18Å; R407-Y452 PolarHBondContact N-O 2.81Å; R407-Y452 WeakPolarHBondContact O-CD1 3.19Å; R407-Y452 PolarHBondContact O-N 3.21Å; S409-Y452 WeakPolarHBondContact OG-CE1 3.17Å; R422-Y452 PolarHBondContact NE-OH 2.81Å; R422-Y452 PolarHBondContact NH2-OH 3.12Å; L450-Y452 HydrophobicContact CD2-CD1 4.19Å; Y452-A459 WeakPolarHBondContact CA-O 3.2Å
453	D	93.3	Very high	92.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.253	C	S	.	.			trans	-80.7	-163.7	178.4	61.5	54.7	0	0	0	112	N366 P369 G455 Q458 A459	N366-D453 PolarHBondContact ND2-OD2 3.18Å; P369-D453 HydrophobicContact CG-CB 3.96Å; D453-G455 PolarHBondContact OD1-N 3.07Å; D453-Q458 PolarHBondContact O-NE2 2.66Å; D453-Q458 WeakPolarHBondContact OD1-CA 3.42Å; D453-Q458 WeakPolarHBondContact OD1-CG 3.49Å; D453-A459 PolarHBondContact N-O 2.75Å; D453-A459 PolarHBondContact OD1-N 3.13Å; D453-A459 VanDerWaalsContact OD2-C 3.27Å; D453-A459 WeakPolarHBondContact OD2-CA 3.33Å; D453-A459 VanDerWaalsContact OD2-CB 3.25Å; D453-A459 WeakPolarHBondContact OD2-CB 3.31Å; D453-A459 PolarHBondContact OD2-N 3.36Å
454	N	89.6	Confident	92.9	Very high	74 Å²	74	40.8 Å²	40.8	40%	0.396	24%	0.244	S	C	.	.			trans	-128.9	26.5	164.8	68.1	-112	0	0	0	113	I405	I405-N454 WeakPolarHBondContact CA-OD1 3.4Å; I405-N454 WeakPolarHBondContact CB-OD1 3.31Å; I405-N454 WeakPolarHBondContact CG1-OD1 3.4Å; I405-N454 PolarHBondContact N-OD1 2.86Å
455	G	84.7	Confident	92.9	Very high	21 Å²	21	39 Å²	39	22%	0.216	24%	0.235	C	C	.	.			trans	-74.7	-167.4	179.7	0	0	0	0	0	113.6	N366 D453 P457	N366-G455 WeakPolarHBondContact OD1-CA 3.44Å; D453-G455 PolarHBondContact OD1-N 3.07Å; G455-P457 CarbonylContact C-O 3.56Å
456	S	83.3	Confident	93	Very high	117 Å²	117	40.3 Å²	40.3	82%	0.818	24%	0.241	S	C	*	.	S	Bend	trans	-149.4	101.9	-175.1	172.4	0	0	0	0	110.5
457	P	87.4	Confident	93	Very high	101 Å²	101	36.1 Å²	36.1	66%	0.656	22%	0.222	S	C	*	.	S	Bend	cis	-65.2	152.3	0.6	30.4	-36.5	0	0	0	112	N366 G455	N366-P457 PolarHBondContact ND2-O 2.71Å; G455-P457 CarbonylContact C-O 3.56Å
458	Q	88.6	Confident	92.9	Very high	121 Å²	121	40.4 Å²	40.4	57%	0.565	24%	0.238	S	C	*	.			trans	-70.3	129.3	172.6	179.6	174	35.9	0	0	109.5	D453	D453-Q458 PolarHBondContact O-NE2 2.66Å; D453-Q458 WeakPolarHBondContact OD1-CA 3.42Å; D453-Q458 WeakPolarHBondContact OD1-CG 3.49Å
459	A	91.3	Very high	92.8	Very high	22 Å²	22	39.3 Å²	39.3	18%	0.182	23%	0.231	C	C	.	.			trans	-109.6	168.9	172.8	0	0	0	0	0	111.5	N366 P368 Y452 D453	N366-A459 VanDerWaalsContact ND2-CB 3.28Å; N366-A459 WeakPolarHBondContact ND2-CB 3.18Å; P368-A459 HydrophobicContact CB-CB 3.98Å; Y452-A459 WeakPolarHBondContact CA-O 3.2Å; D453-A459 PolarHBondContact N-O 2.75Å; D453-A459 PolarHBondContact OD1-N 3.13Å; D453-A459 VanDerWaalsContact OD2-C 3.27Å; D453-A459 WeakPolarHBondContact OD2-CA 3.33Å; D453-A459 VanDerWaalsContact OD2-CB 3.25Å; D453-A459 WeakPolarHBondContact OD2-CB 3.31Å; D453-A459 PolarHBondContact OD2-N 3.36Å
460	S	93.8	Very high	92.6	Very high	61 Å²	61	42.5 Å²	42.5	43%	0.427	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	144.1	179.2	63.8	0	0	0	0	112.5	P368 A451	P368-S460 WeakPolarHBondContact CB-O 3.48Å; A451-S460 CarbonylContact O-C 3.56Å; A451-S460 WeakPolarHBondContact O-CA 3.37Å; A451-S460 VanDerWaalsContact O-CB 3.3Å; A451-S460 WeakPolarHBondContact O-CB 3.42Å
461	G	93.7	Very high	92.4	Very high	14 Å²	14	42 Å²	42	14%	0.144	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.2	175.4	0	0	0	0	0	111.5	A451	A451-G461 PolarHBondContact N-O 2.93Å; A451-G461 PolarHBondContact O-N 3.04Å
462	T	95.8	Very high	92.3	Very high	68 Å²	68	44.9 Å²	44.9	42%	0.417	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.1	177.4	-61.3	0	0	0	0	110.8	N374 L411	N374-T462 PolarHBondContact ND2-O 2.88Å; L411-T462 HydrophobicContact CD2-CG2 3.86Å
463	G	95.3	Very high	92.1	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.9	177.5	0	0	0	0	0	111.7	F371 T448 F449	F371-G463 VanDerWaalsContact CD2-CA 3.4Å; F371-G463 VanDerWaalsContact CE2-N 3.26Å; T448-G463 WeakPolarHBondContact CA-O 3.33Å; F449-G463 PolarHBondContact N-O 3.43Å; F449-G463 PolarHBondContact O-N 3.26Å
464	T	96.4	Very high	92	Very high	29 Å²	29	48.7 Å²	48.7	18%	0.178	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.9	177.6	-58.4	0	0	0	0	110.3	N374 P375 K376 E446 T448 Q466	N374-T464 PolarHBondContact OD1-N 3.1Å; P375-T464 CarbonylContact C-O 3.55Å; P375-T464 WeakPolarHBondContact CA-O 3.35Å; P375-T464 HydrophobicContact CB-CG2 4.26Å; K376-T464 PolarHBondContact N-O 3.16Å; E446-T464 HydrophobicContact CG-CG2 3.73Å; E446-T464 VanDerWaalsContact OE1-CG2 3.23Å; E446-T464 WeakPolarHBondContact OE1-CG2 3.23Å; T448-T464 HydrophobicContact CG2-CG2 4.44Å; T464-Q466 HydrophobicContact CG2-CG 4.27Å
465	L	95.7	Very high	92.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127	170.1	-175.6	75.9	0	0	0	109.5	K376 I378 T391 L418 I427 E446 A447 F449 I467	K376-L465 HydrophobicContact CB-CD1 4.12Å; K376-L465 HydrophobicContact CG-CD1 3.91Å; I378-L465 HydrophobicContact CD1-CD1 4.16Å; I378-L465 HydrophobicContact CD1-CD2 4.3Å; I378-L465 HydrophobicContact CG1-CD1 4.32Å; I378-L465 HydrophobicContact CG2-CD1 4.42Å; T391-L465 HydrophobicContact CG2-CD1 4.11Å; L418-L465 HydrophobicContact CD1-CD2 4.21Å; I427-L465 HydrophobicContact CD1-CD2 3.83Å; I427-L465 HydrophobicContact CG2-CD2 4.43Å; E446-L465 WeakPolarHBondContact CA-O 3.25Å; A447-L465 PolarHBondContact N-O 3.08Å; A447-L465 PolarHBondContact O-N 3.19Å; F449-L465 HydrophobicContact CD2-CB 4.2Å; F449-L465 HydrophobicContact CE2-CB 3.85Å; F449-L465 HydrophobicContact CE2-CD2 4.09Å; L465-I467 HydrophobicContact CD2-CD1 3.82Å; L465-I467 HydrophobicContact CD2-CG1 3.83Å; L465-I467 HydrophobicContact CG-CG1 4.01Å
466	Q	95.7	Very high	92.4	Very high	30 Å²	30	47.9 Å²	47.9	14%	0.14	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	111.7	176.2	-76.1	175.4	-10.6	0	0	109.4	P375 K376 T377 I378 M444 E446 T464	P375-Q466 HydrophobicContact CB-CG 4.3Å; K376-Q466 PolarHBondContact O-N 2.97Å; T377-Q466 CarbonylContact C-O 3.57Å; T377-Q466 WeakPolarHBondContact CA-O 3.47Å; T377-Q466 HydrophobicContact CG2-CB 4.04Å; I378-Q466 PolarHBondContact N-O 2.76Å; M444-Q466 HydrophobicContact CE-CG 3.99Å; M444-Q466 HydrophobicContact CG-CB 4.12Å; M444-Q466 HydrophobicContact CG-CG 4.39Å; M444-Q466 HydrophobicContact SD-CB 3.69Å; M444-Q466 HydrophobicContact SD-CG 3.65Å; E446-Q466 HydrophobicContact CG-CG 4.25Å; E446-Q466 WeakPolarHBondContact OE1-CG 3.49Å; E446-Q466 PolarHBondContact OE1-NE2 2.8Å; T464-Q466 HydrophobicContact CG2-CG 4.27Å
467	I	95	Very high	92.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	107.3	-178.4	-46.6	-175	0	0	0	108.2	I378 F380 L390 L418 M444 Y445 L465 L469	I378-I467 HydrophobicContact CD1-CD1 4.32Å; I378-I467 HydrophobicContact CD1-CG1 3.95Å; I378-I467 HydrophobicContact CD1-CG2 4.28Å; I378-I467 HydrophobicContact CG1-CB 4.21Å; I378-I467 HydrophobicContact CG1-CG1 3.98Å; I378-I467 HydrophobicContact CG1-CG2 4.11Å; F380-I467 HydrophobicContact CB-CG2 4.5Å; L390-I467 HydrophobicContact CD1-CD1 3.91Å; L418-I467 HydrophobicContact CD1-CD1 3.82Å; L418-I467 HydrophobicContact CD2-CD1 3.97Å; M444-I467 WeakPolarHBondContact CA-O 3.39Å; Y445-I467 HydrophobicContact CD1-CD1 4.31Å; Y445-I467 PolarHBondContact N-O 2.84Å; Y445-I467 PolarHBondContact O-N 2.74Å; L465-I467 HydrophobicContact CD2-CD1 3.82Å; L465-I467 HydrophobicContact CD2-CG1 3.83Å; L465-I467 HydrophobicContact CG-CG1 4.01Å; I467-L469 HydrophobicContact CG2-CD2 3.98Å; I467-L469 PolarHBondContact O-N 2.92Å
468	Y	95.1	Very high	93.1	Very high	91 Å²	91	40 Å²	40	36%	0.357	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	113.1	168.7	-71.4	-84.7	0	0	0	109.4	T377 I378 R379 F380 N443 M444	T377-Y468 HydrophobicContact CG2-CE2 3.95Å; I378-Y468 PolarHBondContact O-N 2.87Å; R379-Y468 WeakPolarHBondContact CA-O 3.44Å; F380-Y468 PolarHBondContact N-O 3.48Å; N443-Y468 WeakPolarHBondContact O-CA 3.42Å; M444-Y468 HydrophobicContact CB-CD1 4.19Å; M444-Y468 HydrophobicContact CB-CE1 4.05Å; M444-Y468 HydrophobicContact CG-CD1 4.4Å; M444-Y468 HydrophobicContact CG-CE1 4.18Å; M444-Y468 HydrophobicContact CG-CE2 4.48Å; M444-Y468 HydrophobicContact SD-CE1 4.02Å; M444-Y468 HydrophobicContact SD-CE2 4.04Å
469	L	93.9	Very high	93.2	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.037	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	133.7	175.4	-64.2	176.6	0	0	0	109.7	F380 W417 L433 R435 V440 N443 I467	F380-L469 CarbonylContact O-C 3.45Å; F380-L469 WeakPolarHBondContact O-CA 3.27Å; W417-L469 HydrophobicContact CZ3-CD1 4.32Å; L433-L469 HydrophobicContact CB-CD2 3.95Å; L433-L469 HydrophobicContact CD1-CD2 3.99Å; L433-L469 HydrophobicContact CG-CD2 4.48Å; R435-L469 HydrophobicContact CB-CB 4.16Å; R435-L469 HydrophobicContact CB-CD1 4.28Å; R435-L469 HydrophobicContact CG-CB 4.05Å; V440-L469 HydrophobicContact CG1-CD1 4.48Å; V440-L469 HydrophobicContact CG2-CD1 3.9Å; N443-L469 PolarHBondContact O-N 3.44Å; I467-L469 HydrophobicContact CG2-CD2 3.98Å; I467-L469 PolarHBondContact O-N 2.92Å
470	I	92	Very high	93.2	Very high	66 Å²	66	36.8 Å²	36.8	34%	0.338	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.7	176.1	-58.3	172.6	0	0	0	107.3	R379 F380 E381 E382	R379-I470 HydrophobicContact CB-CD1 4.46Å; F380-I470 PolarHBondContact O-N 3.35Å; E381-I470 HydrophobicContact CG-CB 4.29Å; E381-I470 HydrophobicContact CG-CG2 4.5Å; E382-I470 PolarHBondContact N-O 2.78Å
471	D	91.6	Very high	93	Very high	27 Å²	27	36.3 Å²	36.3	14%	0.144	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-54.7	126.3	-178.5	-173	72.8	0	0	0	113.3	E382 R435 D504 A505 N508	E382-D471 WeakPolarHBondContact OE1-CA 3.17Å; R435-D471 IonicContact CZ-OD1 3.18Å; R435-D471 IonicContact NE-OD1 2.8Å; R435-D471 PolarHBondContact NE-OD1 2.87Å; R435-D471 IonicContact NH2-OD1 2.76Å; R435-D471 PolarHBondContact NH2-OD1 3.04Å; D471-D504 WeakPolarHBondContact OD1-CA 3.24Å; D471-A505 HydrophobicContact CB-CB 4.08Å; D471-A505 PolarHBondContact OD1-N 2.81Å; D471-A505 PolarHBondContact OD2-N 3.15Å; D471-A505 VanDerWaalsContact OD2-N 3.1Å; D471-N508 PolarHBondContact O-ND2 2.96Å; D471-N508 PolarHBondContact OD2-ND2 3.28Å
472	V	91.4	Very high	92.8	Very high	59 Å²	59	41.9 Å²	41.9	36%	0.358	22%	0.223	S	C	.	.			trans	-122.9	137.8	176.4	176.6	0	0	0	0	109.5	E381 E382 D474	E381-V472 HydrophobicContact CB-CG2 4.35Å; E382-V472 HydrophobicContact CG-CB 3.84Å; E382-V472 HydrophobicContact CG-CG2 3.91Å; E382-V472 PolarHBondContact OE1-N 2.71Å; V472-D474 WeakPolarHBondContact O-CB 3.45Å; V472-D474 PolarHBondContact O-N 3.24Å
473	N	91.6	Very high	92.5	Very high	16 Å²	16	44.3 Å²	44.3	9%	0.086	23%	0.23	C	C	.	.	S	Bend	trans	-66.3	94.9	179.6	-158.4	68.4	0	0	0	111.2	D504 N508 D559 P563 L565	N473-D504 VanDerWaalsContact CA-OD2 3.31Å; N473-D504 WeakPolarHBondContact CA-OD2 3.3Å; N473-N508 HydrophobicContact CB-CB 4.1Å; N473-N508 PolarHBondContact N-ND2 2.93Å; N473-N508 WeakPolarHBondContact OD1-CB 3.46Å; N473-D559 PolarHBondContact ND2-OD1 3.42Å; N473-D559 PolarHBondContact OD1-OD1 2.67Å; N473-P563 PolarHBondContact ND2-O 2.94Å; N473-L565 PolarHBondContact ND2-N 3.01Å; N473-L565 WeakPolarHBondContact O-CD1 3.27Å
474	D	90.4	Very high	92.2	Very high	99 Å²	99	45.3 Å²	45.3	53%	0.529	24%	0.238	S	C	.	.			trans	-127.5	-34.7	-166.9	162.4	-75.3	0	0	0	110.8	V472 D504 L565	V472-D474 WeakPolarHBondContact O-CB 3.45Å; V472-D474 PolarHBondContact O-N 3.24Å; D474-D504 PolarHBondContact N-OD2 3.33Å; D474-D504 VanDerWaalsContact N-OD2 3.13Å; D474-L565 WeakPolarHBondContact O-CD1 3.41Å
475	N	91.1	Very high	91.7	Very high	50 Å²	50	49.8 Å²	49.8	27%	0.267	26%	0.257	S	S	.	.	S	Bend	trans	-86.5	168	172.4	-64	-89	0	0	0	112.1	D502 A503 D504 L565	N475-D502 WeakPolarHBondContact CB-OD1 3.16Å; N475-A503 HydrophobicContact CB-CB 4.23Å; N475-D504 WeakPolarHBondContact CB-OD1 3.48Å; N475-D504 PolarHBondContact N-OD1 2.92Å; N475-D504 PolarHBondContact N-OD2 2.9Å; N475-D504 PolarHBondContact ND2-OD1 3.04Å; N475-L565 WeakPolarHBondContact O-CD1 3.34Å
476	A	91.6	Very high	91.2	Very high	28 Å²	28	50.1 Å²	50.1	23%	0.231	26%	0.259	C	S	.	.			trans	-139.9	129.6	-174.2	0	0	0	0	0	112.4	V478 D502 L565 N567	A476-V478 PolarHBondContact O-N 3.12Å; A476-D502 PolarHBondContact N-OD1 2.93Å; A476-L565 HydrophobicContact CB-CB 3.97Å; A476-N567 HydrophobicContact CB-CB 4.05Å; A476-N567 PolarHBondContact O-ND2 3.12Å; A476-N567 VanDerWaalsContact O-ND2 3.12Å
477	P	93.3	Very high	90.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-64.9	128.6	-152.7	11.1	-23.5	0	0	0	114.9	A500 D502 F512 V557 D559 N567	P477-A500 HydrophobicContact CB-CB 3.95Å; P477-D502 WeakPolarHBondContact CA-OD2 3.45Å; P477-D502 WeakPolarHBondContact CB-OD2 3.34Å; P477-D502 WeakPolarHBondContact CD-OD2 3.26Å; P477-D502 WeakPolarHBondContact CG-OD2 3.43Å; P477-F512 HydrophobicContact CB-CD1 3.87Å; P477-F512 HydrophobicContact CB-CE1 3.68Å; P477-F512 HydrophobicContact CG-CD1 4.15Å; P477-F512 HydrophobicContact CG-CE1 4.28Å; P477-V557 HydrophobicContact CB-CB 4.12Å; P477-V557 HydrophobicContact CB-CG1 3.77Å; P477-V557 HydrophobicContact CG-CB 4.03Å; P477-V557 HydrophobicContact CG-CG1 3.8Å; P477-D559 VanDerWaalsContact CD-OD2 3.3Å; P477-D559 WeakPolarHBondContact CD-OD2 3.49Å; P477-D559 HydrophobicContact CG-CB 4.04Å; P477-N567 WeakPolarHBondContact O-CB 3.49Å
478	V	91.6	Very high	89.7	Confident	51 Å²	51	50 Å²	50	31%	0.309	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121.7	-176.9	-176.8	0	0	0	0	110.4	A476 K482 A500 S501	A476-V478 PolarHBondContact O-N 3.12Å; V478-K482 VanDerWaalsContact CG1-CE 3.45Å; V478-A500 CarbonylContact O-C 3.59Å; V478-A500 VanDerWaalsContact O-CA 3.27Å; V478-A500 WeakPolarHBondContact O-CA 3.38Å; V478-S501 PolarHBondContact N-O 2.84Å; V478-S501 PolarHBondContact O-N 3.27Å
479	L	91.4	Very high	88.9	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	135.7	-177.5	-171.3	80.8	0	0	0	112.7	K482 I498 F514 V555 V557 S569 I571	L479-K482 WeakPolarHBondContact O-CG 3.28Å; L479-I498 HydrophobicContact CD1-CB 4.1Å; L479-I498 HydrophobicContact CD1-CD1 4.21Å; L479-I498 HydrophobicContact CD1-CG2 4.45Å; L479-F514 HydrophobicContact CD1-CD1 4.04Å; L479-F514 HydrophobicContact CD1-CE1 3.98Å; L479-V555 HydrophobicContact CD1-CB 4.37Å; L479-V555 HydrophobicContact CD1-CG1 4.19Å; L479-V555 HydrophobicContact CD2-CB 4.01Å; L479-V555 HydrophobicContact CD2-CG2 3.96Å; L479-V557 HydrophobicContact CB-CG2 4.27Å; L479-V557 HydrophobicContact CD1-CG2 3.84Å; L479-S569 PolarHBondContact N-OG 3.31Å; L479-S569 VanDerWaalsContact N-OG 3.14Å; L479-I571 HydrophobicContact CD2-CB 3.79Å; L479-I571 HydrophobicContact CD2-CG2 4.24Å
480	I	90.6	Very high	87.7	Confident	76 Å²	76	54.1 Å²	54.1	39%	0.39	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136.5	175.4	-62	-178.8	0	0	0	109.6	I498 T499	I480-I498 WeakPolarHBondContact O-CA 3.39Å; I480-T499 HydrophobicContact CB-CG2 4.16Å; I480-T499 HydrophobicContact CG2-CG2 4.32Å; I480-T499 PolarHBondContact N-O 3.22Å; I480-T499 PolarHBondContact O-N 2.95Å
481	P	90.4	Very high	86.7	Confident	50 Å²	50	55.7 Å²	55.7	33%	0.325	28%	0.282	S	S	.	.			cis	-77	152.7	-7.7	33.6	-37.1	0	0	0	112.7	E483 I571	P481-E483 VanDerWaalsContact C-N 3.33Å; P481-E483 WeakPolarHBondContact CB-O 3.37Å; P481-I571 WeakPolarHBondContact O-CD1 3.18Å
482	K	88.9	Confident	85.4	Confident	131 Å²	131	58.6 Å²	58.6	57%	0.57	30%	0.302	S	S	*	.	S	Bend	trans	-75.4	-21.1	176.7	-65.5	178.5	-179.5	173.8	0	113.1	V478 L479 I571 R572	V478-K482 VanDerWaalsContact CG1-CE 3.45Å; L479-K482 WeakPolarHBondContact O-CG 3.28Å; K482-I571 WeakPolarHBondContact O-CA 3.21Å; K482-R572 PolarHBondContact O-N 2.79Å
483	E	89.9	Confident	84.1	Confident	120 Å²	120	62.5 Å²	62.5	56%	0.561	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.8	172	-50.1	-155.2	152	0	0	110.7	P481 R572	P481-E483 VanDerWaalsContact C-N 3.33Å; P481-E483 WeakPolarHBondContact CB-O 3.37Å; E483-R572 CarbonylContact C-O 3.58Å; E483-R572 WeakPolarHBondContact CA-O 3.49Å; E483-R572 HydrophobicContact CB-CB 4.43Å; E483-R572 HydrophobicContact CG-CB 4.1Å; E483-R572 WeakPolarHBondContact OE1-CD 3.44Å; E483-R572 IonicContact OE1-CZ 2.92Å; E483-R572 IonicContact OE1-NE 3.13Å; E483-R572 IonicContact OE1-NH1 2.72Å; E483-R572 PolarHBondContact OE1-NH1 2.74Å
484	A	88.5	Confident	83.1	Confident	21 Å²	21	62.4 Å²	62.4	17%	0.174	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	168.2	178	0	0	0	0	0	110.8	I496 I571 R572 I573 K574	A484-I496 HydrophobicContact CB-CD1 4.08Å; A484-I496 HydrophobicContact CB-CG1 4.37Å; A484-I496 HydrophobicContact CB-CG2 3.74Å; A484-I571 HydrophobicContact CB-CD1 3.93Å; A484-I571 HydrophobicContact CB-CG1 4.42Å; A484-R572 PolarHBondContact N-O 3.37Å; A484-I573 WeakPolarHBondContact O-CA 3.31Å; A484-K574 PolarHBondContact O-N 2.66Å
485	Q	85.6	Confident	82.6	Confident	123 Å²	123	63.7 Å²	63.7	58%	0.575	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	150.3	176.3	63.9	179	-2	0	0	111.9	K574	Q485-K574 CarbonylContact C-O 3.28Å; Q485-K574 VanDerWaalsContact CA-O 3.23Å; Q485-K574 WeakPolarHBondContact CA-O 3.31Å; Q485-K574 HydrophobicContact CB-CB 4.38Å
486	I	85	Confident	82.4	Confident	7 Å²	7	61.8 Å²	61.8	4%	0.036	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	154.5	-179.9	-159.1	169.3	0	0	0	112	I496 W527 L541 I573 K574 V575 C576 C584	I486-I496 HydrophobicContact CB-CD1 4.34Å; I486-I496 HydrophobicContact CD1-CD1 4.23Å; I486-I496 HydrophobicContact CD1-CG1 4.4Å; I486-W527 HydrophobicContact CD1-CZ3 4.25Å; I486-W527 HydrophobicContact CG2-CH2 4.25Å; I486-L541 HydrophobicContact CD1-CB 4.43Å; I486-I573 HydrophobicContact CB-CG2 4.25Å; I486-I573 HydrophobicContact CG2-CG2 3.55Å; I486-K574 PolarHBondContact N-O 3.11Å; I486-V575 HydrophobicContact CG2-CG2 3.83Å; I486-V575 WeakPolarHBondContact O-CA 3.43Å; I486-C576 PolarHBondContact O-N 2.89Å; I486-C584 VanDerWaalsContact C-SG 3.5Å; I486-C584 PolarHBondContact O-SG 2.97Å
487	C	81.9	Confident	82.3	Confident	4 Å²	4	64.9 Å²	64.9	3%	0.027	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	142.9	174.4	-132.9	0	0	0	0	112.1	R489 C578 G582	C487-R489 PolarHBondContact O-N 2.94Å; C487-R489 VanDerWaalsContact O-N 3.13Å; C487-C578 WeakPolarHBondContact CB-SG 3.44Å; C487-C578 WeakPolarHBondContact SG-CA 3.24Å; C487-C578 WeakPolarHBondContact SG-CB 3.32Å; C487-C578 CovalentContact SG-SG 2.02Å; C487-C578 PolarHBondContact SG-SG 2.9Å; C487-G582 VanDerWaalsContact SG-C 3.51Å; C487-G582 PolarHBondContact SG-O 2.86Å
488	E	78.7	Confident	82.2	Confident	24 Å²	24	64.9 Å²	64.9	11%	0.112	32%	0.321	C	S	.	.	S	Bend	trans	-55.2	-24.3	171.4	55	159.6	-123	0	0	114.4	Y545 L546 V575 C576 C578	E488-Y545 HydrophobicContact CB-CD2 4.37Å; E488-Y545 HydrophobicContact CB-CE2 4.05Å; E488-Y545 HydrophobicContact CG-CE2 4.44Å; E488-Y545 CarbonylContact O-C 3.6Å; E488-Y545 VanDerWaalsContact O-CA 3.28Å; E488-Y545 WeakPolarHBondContact O-CA 3.49Å; E488-Y545 WeakPolarHBondContact O-CD2 3.42Å; E488-L546 WeakPolarHBondContact CA-O 3.36Å; E488-L546 WeakPolarHBondContact CB-O 3.13Å; E488-L546 PolarHBondContact O-N 3.41Å; E488-V575 HydrophobicContact CB-CG1 4.22Å; E488-C576 PolarHBondContact N-O 3.09Å; E488-C578 HydrophobicContact CG-CB 4.22Å; E488-C578 VanDerWaalsContact CG-SG 3.54Å
489	R	76.7	Confident	82.3	Confident	149 Å²	149	63.9 Å²	63.9	56%	0.562	32%	0.316	S	S	*	.	B	Isolated β-bridge	trans	-113.9	126.2	-178.5	-66.9	170.8	-154.1	-159.9	3.2	110.6	C487 R491 Y545	C487-R489 PolarHBondContact O-N 2.94Å; C487-R489 VanDerWaalsContact O-N 3.13Å; R489-R491 PolarHBondContact O-N 3.48Å; R489-R491 VanDerWaalsContact O-N 3.11Å; R489-Y545 HydrophobicContact CG-CD2 4.27Å
490	A	69.3	Low	82.2	Confident	34 Å²	34	64.3 Å²	64.3	28%	0.281	32%	0.319	S	S	.	.			trans	-68.8	107.7	178.2	0	0	0	0	0	111.4	L541 I543 P544	A490-L541 HydrophobicContact CB-CD2 4.3Å; A490-I543 WeakPolarHBondContact CB-O 3.47Å; A490-P544 PolarHBondContact N-O 3.27Å
491	R	71.3	Confident	82.2	Confident	99 Å²	99	63.7 Å²	63.7	37%	0.374	32%	0.321	S	S	.	.			trans	-102.5	160.5	170.1	-69.8	-172.3	-179.5	-170.7	3.2	110	R489 N493 S494 N580 N581	R489-R491 PolarHBondContact O-N 3.48Å; R489-R491 VanDerWaalsContact O-N 3.11Å; R491-N493 PolarHBondContact O-N 2.92Å; R491-S494 PolarHBondContact N-OG 3.38Å; R491-S494 VanDerWaalsContact N-OG 3.07Å; R491-S494 PolarHBondContact O-N 3.44Å; R491-S494 VanDerWaalsContact O-N 3.09Å; R491-S494 PolarHBondContact O-OG 3.44Å; R491-N580 PolarHBondContact NH1-O 2.89Å; R491-N580 PolarHBondContact NH2-O 3.22Å; R491-N581 PolarHBondContact NH1-O 2.71Å
492	P	64.8	Low	82.3	Confident	88 Å²	88	62.4 Å²	62.4	57%	0.571	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-16.6	175.4	-26.7	36.3	0	0	0	115.3	R495	P492-R495 PolarHBondContact O-NE 3Å; P492-R495 PolarHBondContact O-NH2 2.82Å; P492-R495 VanDerWaalsContact O-NH2 3.12Å
493	N	64.4	Low	82.4	Confident	142 Å²	142	58.5 Å²	58.5	76%	0.759	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-10.2	179.3	-64.7	7.2	0	0	0	113.6	R491 R495	R491-N493 PolarHBondContact O-N 2.92Å; N493-R495 VanDerWaalsContact C-N 3.34Å; N493-R495 PolarHBondContact O-N 2.9Å
494	S	70.9	Confident	82.6	Confident	13 Å²	13	53.2 Å²	53.2	9%	0.091	28%	0.28	C	S	.	.			trans	-76.8	86.2	178.4	63.2	0	0	0	0	109.9	R491	R491-S494 PolarHBondContact N-OG 3.38Å; R491-S494 VanDerWaalsContact N-OG 3.07Å; R491-S494 PolarHBondContact O-N 3.44Å; R491-S494 VanDerWaalsContact O-N 3.09Å; R491-S494 PolarHBondContact O-OG 3.44Å
495	R	79.8	Confident	82.6	Confident	126 Å²	126	53.5 Å²	53.5	48%	0.475	28%	0.282	S	S	.	.			trans	-129.4	134.7	-171.4	-65.3	165.7	-174.7	-120.1	15.2	108.9	P492 N493 Q538	P492-R495 PolarHBondContact O-NE 3Å; P492-R495 PolarHBondContact O-NH2 2.82Å; P492-R495 VanDerWaalsContact O-NH2 3.12Å; N493-R495 VanDerWaalsContact C-N 3.34Å; N493-R495 PolarHBondContact O-N 2.9Å; R495-Q538 HydrophobicContact CB-CG 4Å; R495-Q538 VanDerWaalsContact CD-OE1 3.28Å; R495-Q538 HydrophobicContact CG-CG 4.31Å
496	I	86.3	Confident	82.6	Confident	11 Å²	11	56.4 Å²	56.4	6%	0.056	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	110.5	171.8	-58.9	166.7	0	0	0	106.6	A484 I486 I498 Q538 L539 I571 I573	A484-I496 HydrophobicContact CB-CD1 4.08Å; A484-I496 HydrophobicContact CB-CG1 4.37Å; A484-I496 HydrophobicContact CB-CG2 3.74Å; I486-I496 HydrophobicContact CB-CD1 4.34Å; I486-I496 HydrophobicContact CD1-CD1 4.23Å; I486-I496 HydrophobicContact CD1-CG1 4.4Å; I496-I498 HydrophobicContact CG2-CG2 4.1Å; I496-Q538 WeakPolarHBondContact O-CA 3.37Å; I496-L539 HydrophobicContact CB-CB 4.36Å; I496-L539 PolarHBondContact N-O 3.45Å; I496-L539 PolarHBondContact O-N 3.39Å; I496-I571 HydrophobicContact CG2-CD1 4.2Å; I496-I573 HydrophobicContact CD1-CD1 3.54Å; I496-I573 HydrophobicContact CD1-CG1 4.05Å; I496-I573 HydrophobicContact CD1-CG2 4.08Å
497	N	89.8	Confident	82.8	Confident	92 Å²	92	60.7 Å²	60.7	49%	0.492	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	131.7	169.6	-66.7	-9.2	0	0	0	108	Q538	N497-Q538 PolarHBondContact OD1-NE2 2.79Å
498	I	91.3	Very high	83.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	149.2	177.1	46.9	172.3	0	0	0	108.9	L479 I480 I496 F514 I529 Y536 A537 L539 I571	L479-I498 HydrophobicContact CD1-CB 4.1Å; L479-I498 HydrophobicContact CD1-CD1 4.21Å; L479-I498 HydrophobicContact CD1-CG2 4.45Å; I480-I498 WeakPolarHBondContact O-CA 3.39Å; I496-I498 HydrophobicContact CG2-CG2 4.1Å; I498-F514 HydrophobicContact CD1-CD1 4.44Å; I498-I529 HydrophobicContact CD1-CD1 3.6Å; I498-I529 HydrophobicContact CD1-CG1 4.34Å; I498-Y536 WeakPolarHBondContact O-CA 3.44Å; I498-A537 HydrophobicContact CD1-CB 4.28Å; I498-A537 HydrophobicContact CG1-CB 4.04Å; I498-A537 WeakPolarHBondContact CG1-O 3.46Å; I498-A537 PolarHBondContact N-O 2.94Å; I498-A537 PolarHBondContact O-N 3.26Å; I498-L539 HydrophobicContact CD1-CB 4.05Å; I498-L539 HydrophobicContact CG1-CB 4.49Å; I498-I571 HydrophobicContact CG2-CD1 3.85Å
499	T	92.1	Very high	83.5	Confident	31 Å²	31	62 Å²	62	19%	0.19	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	-180	179.1	177.7	0	0	0	0	107.2	I480 D535 Y536	I480-T499 HydrophobicContact CB-CG2 4.16Å; I480-T499 HydrophobicContact CG2-CG2 4.32Å; I480-T499 PolarHBondContact N-O 3.22Å; I480-T499 PolarHBondContact O-N 2.95Å; T499-D535 WeakPolarHBondContact CA-O 3.44Å; T499-D535 PolarHBondContact OG1-O 3.1Å; T499-Y536 HydrophobicContact CG2-CD1 4.4Å; T499-Y536 HydrophobicContact CG2-CE1 4.04Å
500	A	91.2	Very high	83.6	Confident	10 Å²	10	56 Å²	56	8%	0.083	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	161.6	171	0	0	0	0	0	110	P477 V478 F512 F514 V557	P477-A500 HydrophobicContact CB-CB 3.95Å; V478-A500 CarbonylContact O-C 3.59Å; V478-A500 VanDerWaalsContact O-CA 3.27Å; V478-A500 WeakPolarHBondContact O-CA 3.38Å; A500-F512 HydrophobicContact CB-CD1 4.29Å; A500-F512 HydrophobicContact CB-CD2 3.9Å; A500-F512 HydrophobicContact CB-CE1 4.22Å; A500-F512 HydrophobicContact CB-CE2 3.82Å; A500-F512 HydrophobicContact CB-CG 4.14Å; A500-F512 HydrophobicContact CB-CZ 3.97Å; A500-F512 VanDerWaalsContact O-CE2 3.28Å; A500-F512 WeakPolarHBondContact O-CE2 3.14Å; A500-F514 HydrophobicContact CB-CE1 4.15Å; A500-F514 HydrophobicContact CB-CZ 4.28Å; A500-V557 HydrophobicContact CB-CG1 3.89Å
501	S	90.4	Very high	84.6	Confident	62 Å²	62	57.3 Å²	57.3	43%	0.434	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.5	164.1	-169.1	0	0	0	0	107.3	V478	V478-S501 PolarHBondContact N-O 2.84Å; V478-S501 PolarHBondContact O-N 3.27Å
502	D	92.6	Very high	85.5	Confident	23 Å²	23	52.9 Å²	52.9	12%	0.123	31%	0.307	C	S	.	.			trans	-103.9	179.4	156.6	-112.1	-51.1	0	0	0	110.4	N475 A476 P477 V509 F512	N475-D502 WeakPolarHBondContact CB-OD1 3.16Å; A476-D502 PolarHBondContact N-OD1 2.93Å; P477-D502 WeakPolarHBondContact CA-OD2 3.45Å; P477-D502 WeakPolarHBondContact CB-OD2 3.34Å; P477-D502 WeakPolarHBondContact CD-OD2 3.26Å; P477-D502 WeakPolarHBondContact CG-OD2 3.43Å; D502-V509 HydrophobicContact CB-CB 4.49Å; D502-V509 HydrophobicContact CB-CG1 4.24Å; D502-V509 HydrophobicContact CB-CG2 4.03Å; D502-F512 HydrophobicContact CB-CE1 4.47Å
503	A	90.6	Very high	86.7	Confident	49 Å²	49	52 Å²	52	41%	0.405	30%	0.299	S	S	.	.	S	Bend	trans	-107.2	-28.9	173.7	0	0	0	0	0	112.7	R435 E436 N475	R435-A503 PolarHBondContact NH2-O 3.33Å; R435-A503 VanDerWaalsContact NH2-O 3.11Å; E436-A503 HydrophobicContact CB-CB 4.31Å; E436-A503 HydrophobicContact CG-CB 3.55Å; N475-A503 HydrophobicContact CB-CB 4.23Å
504	D	92.7	Very high	88	Confident	10 Å²	10	46.2 Å²	46.2	5%	0.053	27%	0.267	C	S	.	.	S	Bend	trans	-56.2	173.2	174	-56	3.6	0	0	0	112.5	R435 D471 N473 D474 N475 N508 V509	R435-D504 VanDerWaalsContact NH2-C 3.27Å; D471-D504 WeakPolarHBondContact OD1-CA 3.24Å; N473-D504 VanDerWaalsContact CA-OD2 3.31Å; N473-D504 WeakPolarHBondContact CA-OD2 3.3Å; D474-D504 PolarHBondContact N-OD2 3.33Å; D474-D504 VanDerWaalsContact N-OD2 3.13Å; N475-D504 WeakPolarHBondContact CB-OD1 3.48Å; N475-D504 PolarHBondContact N-OD1 2.92Å; N475-D504 PolarHBondContact N-OD2 2.9Å; N475-D504 PolarHBondContact ND2-OD1 3.04Å; D504-N508 HydrophobicContact CB-CB 4.02Å; D504-V509 VanDerWaalsContact C-CG2 3.46Å; D504-V509 HydrophobicContact CB-CG2 4.27Å; D504-V509 WeakPolarHBondContact O-CG2 3.49Å
505	A	89.4	Confident	89	Confident	27 Å²	27	50.2 Å²	50.2	22%	0.223	28%	0.284	C	S	.	.			trans	-101.7	175.3	178.4	0	0	0	0	0	113.2	D471 N508 V509	D471-A505 HydrophobicContact CB-CB 4.08Å; D471-A505 PolarHBondContact OD1-N 2.81Å; D471-A505 PolarHBondContact OD2-N 3.15Å; D471-A505 VanDerWaalsContact OD2-N 3.1Å; A505-N508 WeakPolarHBondContact O-CB 3.02Å; A505-N508 PolarHBondContact O-N 3.02Å; A505-V509 WeakPolarHBondContact O-CG2 3.25Å; A505-V509 PolarHBondContact O-N 2.76Å
506	E	86.2	Confident	89.5	Confident	183 Å²	183	44.5 Å²	44.5	86%	0.855	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	130.4	165	-67.3	-172.6	177.8	0	0	109.3
507	P	87.9	Confident	89.6	Confident	98 Å²	98	44.5 Å²	44.5	64%	0.636	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	cis	-100.1	2.8	19	39.4	-37.6	0	0	0	115.9
508	N	88.6	Confident	89.4	Confident	21 Å²	21	44.4 Å²	44.4	11%	0.112	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-43.3	-171.5	-74	-35.7	0	0	0	112.1	D471 N473 D504 A505 S560 G561	D471-N508 PolarHBondContact O-ND2 2.96Å; D471-N508 PolarHBondContact OD2-ND2 3.28Å; N473-N508 HydrophobicContact CB-CB 4.1Å; N473-N508 PolarHBondContact N-ND2 2.93Å; N473-N508 WeakPolarHBondContact OD1-CB 3.46Å; D504-N508 HydrophobicContact CB-CB 4.02Å; A505-N508 WeakPolarHBondContact O-CB 3.02Å; A505-N508 PolarHBondContact O-N 3.02Å; N508-S560 CarbonylContact O-C 3.43Å; N508-S560 PolarHBondContact O-N 2.84Å; N508-S560 VanDerWaalsContact O-N 3.08Å; N508-G561 PolarHBondContact O-N 3.48Å
509	V	87.5	Confident	88.9	Confident	33 Å²	33	52.2 Å²	52.2	20%	0.2	31%	0.305	C	S	.	.	S	Bend	trans	-52	-68.5	-179.4	177.6	0	0	0	0	114.4	D502 D504 A505 F512	D502-V509 HydrophobicContact CB-CB 4.49Å; D502-V509 HydrophobicContact CB-CG1 4.24Å; D502-V509 HydrophobicContact CB-CG2 4.03Å; D504-V509 VanDerWaalsContact C-CG2 3.46Å; D504-V509 HydrophobicContact CB-CG2 4.27Å; D504-V509 WeakPolarHBondContact O-CG2 3.49Å; A505-V509 WeakPolarHBondContact O-CG2 3.25Å; A505-V509 PolarHBondContact O-N 2.76Å; V509-F512 HydrophobicContact CG1-CE1 3.89Å; V509-F512 HydrophobicContact CG1-CE2 4.33Å; V509-F512 HydrophobicContact CG1-CZ 3.48Å; V509-F512 VanDerWaalsContact CG1-CZ 3.48Å; V509-F512 VanDerWaalsContact O-CD1 3.31Å; V509-F512 WeakPolarHBondContact O-CD1 3.23Å; V509-F512 WeakPolarHBondContact O-CE1 3.44Å
510	G	79.6	Confident	88.7	Confident	24 Å²	24	53.1 Å²	53.1	25%	0.247	31%	0.311	C	S	.	.			trans	-129.2	157.3	-160.7	0	0	0	0	0	113.5
511	P	89.2	Confident	88.2	Confident	62 Å²	62	55.1 Å²	55.1	40%	0.403	33%	0.328	S	S	.	.	S	Bend	cis	-96.8	119.9	16.7	34.6	-36.1	0	0	0	116.5	R531 G534 S560	P511-R531 PolarHBondContact O-NH2 2.85Å; P511-G534 VanDerWaalsContact CB-CA 3.41Å; P511-S560 WeakPolarHBondContact CD-OG 3.45Å; P511-S560 PolarHBondContact O-OG 2.8Å
512	F	90.9	Very high	87.8	Confident	6 Å²	6	55 Å²	55	3%	0.026	33%	0.327	C	S	.	.			trans	-52.2	143.5	-174.5	-56.7	-59.8	0	0	0	116.8	P477 A500 D502 V509 F514 R531 G534 D535 V557 S558	P477-F512 HydrophobicContact CB-CD1 3.87Å; P477-F512 HydrophobicContact CB-CE1 3.68Å; P477-F512 HydrophobicContact CG-CD1 4.15Å; P477-F512 HydrophobicContact CG-CE1 4.28Å; A500-F512 HydrophobicContact CB-CD1 4.29Å; A500-F512 HydrophobicContact CB-CD2 3.9Å; A500-F512 HydrophobicContact CB-CE1 4.22Å; A500-F512 HydrophobicContact CB-CE2 3.82Å; A500-F512 HydrophobicContact CB-CG 4.14Å; A500-F512 HydrophobicContact CB-CZ 3.97Å; A500-F512 VanDerWaalsContact O-CE2 3.28Å; A500-F512 WeakPolarHBondContact O-CE2 3.14Å; D502-F512 HydrophobicContact CB-CE1 4.47Å; V509-F512 HydrophobicContact CG1-CE1 3.89Å; V509-F512 HydrophobicContact CG1-CE2 4.33Å; V509-F512 HydrophobicContact CG1-CZ 3.48Å; V509-F512 VanDerWaalsContact CG1-CZ 3.48Å; V509-F512 VanDerWaalsContact O-CD1 3.31Å; V509-F512 WeakPolarHBondContact O-CD1 3.23Å; V509-F512 WeakPolarHBondContact O-CE1 3.44Å; F512-F514 HydrophobicContact CB-CD2 4.25Å; F512-F514 HydrophobicContact CB-CE2 3.55Å; F512-F514 HydrophobicContact CB-CZ 3.78Å; F512-F514 HydrophobicContact CD2-CZ 4.2Å; F512-F514 HydrophobicContact CG-CZ 4.32Å; F512-R531 PolarHBondContact O-NH2 2.99Å; F512-G534 PolarHBondContact N-O 2.93Å; F512-D535 HydrophobicContact CD2-CB 3.95Å; F512-D535 HydrophobicContact CE2-CB 4.35Å; F512-V557 HydrophobicContact CB-CG1 4.11Å; F512-V557 HydrophobicContact CD1-CG1 4.36Å; F512-V557 HydrophobicContact CG-CG1 4.38Å; F512-S558 CarbonylContact C-O 3.54Å; F512-S558 VanDerWaalsContact CA-O 3.3Å; F512-S558 WeakPolarHBondContact CA-O 3.36Å
513	V	90.5	Very high	87.5	Confident	69 Å²	69	54.7 Å²	54.7	42%	0.418	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.1	170.9	-178.1	0	0	0	0	110	V557 S558	V513-V557 CarbonylContact O-C 3.59Å; V513-V557 WeakPolarHBondContact O-CA 3.42Å; V513-S558 PolarHBondContact N-O 2.77Å; V513-S558 PolarHBondContact O-N 3.24Å
514	F	91.1	Very high	87.3	Confident	21 Å²	21	57.3 Å²	57.3	9%	0.092	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.7	-178.6	-56.1	-100.8	0	0	0	112	L479 I498 A500 F512 I529 D535 A537 V557	L479-F514 HydrophobicContact CD1-CD1 4.04Å; L479-F514 HydrophobicContact CD1-CE1 3.98Å; I498-F514 HydrophobicContact CD1-CD1 4.44Å; A500-F514 HydrophobicContact CB-CE1 4.15Å; A500-F514 HydrophobicContact CB-CZ 4.28Å; F512-F514 HydrophobicContact CB-CD2 4.25Å; F512-F514 HydrophobicContact CB-CE2 3.55Å; F512-F514 HydrophobicContact CB-CZ 3.78Å; F512-F514 HydrophobicContact CD2-CZ 4.2Å; F512-F514 HydrophobicContact CG-CZ 4.32Å; F514-I529 HydrophobicContact CB-CD1 3.41Å; F514-I529 VanDerWaalsContact CB-CD1 3.41Å; F514-I529 HydrophobicContact CB-CG1 4.43Å; F514-I529 HydrophobicContact CG-CD1 4.38Å; F514-D535 WeakPolarHBondContact CZ-O 3.14Å; F514-A537 HydrophobicContact CB-CB 4.05Å; F514-A537 HydrophobicContact CD1-CB 4.36Å; F514-A537 HydrophobicContact CD2-CB 3.58Å; F514-A537 HydrophobicContact CE2-CB 4.06Å; F514-A537 HydrophobicContact CG-CB 3.76Å; F514-V557 HydrophobicContact CD1-CB 4.43Å; F514-V557 HydrophobicContact CD1-CG1 3.9Å; F514-V557 HydrophobicContact CD1-CG2 3.79Å; F514-V557 HydrophobicContact CE1-CG1 3.82Å; F514-V557 HydrophobicContact CE1-CG2 4.04Å; F514-V557 HydrophobicContact CG-CG1 4.45Å; F514-V557 HydrophobicContact CZ-CG1 4.32Å
515	E	90.7	Very high	86.8	Confident	96 Å²	96	65.3 Å²	65.3	45%	0.449	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	144.8	176.9	-76.5	-145.5	-162.3	0	0	113.6	R524 I556	E515-R524 IonicContact OE2-CZ 3.9Å; E515-R524 IonicContact OE2-NH2 2.71Å; E515-R524 PolarHBondContact OE2-NH2 2.77Å; E515-I556 HydrophobicContact CB-CB 4.47Å; E515-I556 PolarHBondContact N-O 3.45Å; E515-I556 PolarHBondContact O-N 3.06Å
516	L	90.6	Very high	86.7	Confident	7 Å²	7	66.2 Å²	66.2	4%	0.037	36%	0.355	C	S	.	.			trans	-84.4	133.3	163.1	-66.2	175.5	0	0	0	108.6	I523 R524 W527 I529 L539 I553 V555	L516-I523 HydrophobicContact CB-CG2 4.12Å; L516-I523 HydrophobicContact CD1-CG2 4.31Å; L516-I523 HydrophobicContact CD2-CG2 3.92Å; L516-I523 HydrophobicContact CG-CG2 4.34Å; L516-R524 HydrophobicContact CB-CG 4.03Å; L516-R524 PolarHBondContact O-NE 2.94Å; L516-R524 PolarHBondContact O-NH2 2.89Å; L516-W527 HydrophobicContact CD1-CB 3.95Å; L516-I529 HydrophobicContact CD1-CB 4.41Å; L516-I529 HydrophobicContact CD1-CG2 4.41Å; L516-I529 HydrophobicContact CG-CB 4.27Å; L516-I529 HydrophobicContact CG-CG2 4.08Å; L516-L539 HydrophobicContact CD1-CD1 4.34Å; L516-L539 HydrophobicContact CD2-CD1 4.08Å; L516-I553 HydrophobicContact CD2-CG2 3.94Å; L516-V555 HydrophobicContact CD2-CG2 4.21Å
517	P	89.1	Confident	86.8	Confident	10 Å²	10	57.8 Å²	57.8	7%	0.065	32%	0.316	C	S	.	.			trans	-67.9	153.4	-177.8	28.9	-35.8	0	0	0	112.5	F519 P554 I556	P517-F519 PolarHBondContact O-N 2.75Å; P517-P554 WeakPolarHBondContact CD-O 3.4Å; P517-P554 HydrophobicContact CG-CB 3.83Å; P517-P554 HydrophobicContact CG-CG 3.51Å; P517-I556 HydrophobicContact CB-CD1 4.06Å
518	S	85.2	Confident	86.8	Confident	90 Å²	90	55.5 Å²	55.5	63%	0.629	30%	0.3	S	S	*	.	S	Bend	trans	-66.4	-20.2	177.7	-56.1	0	0	0	0	113.9
519	F	81.8	Confident	86.9	Confident	165 Å²	165	56.6 Å²	56.6	72%	0.724	31%	0.305	S	S	*	.	S	Bend	trans	-132.6	136.1	179.6	-171.2	-93.2	0	0	0	111.9	P517 R568	P517-F519 PolarHBondContact O-N 2.75Å; F519-R568 PolarHBondContact O-NH2 3.44Å
520	P	86.2	Confident	86.9	Confident	49 Å²	49	57.8 Å²	57.8	32%	0.318	32%	0.315	S	S	.	.	S	Bend	cis	-74.6	146.1	-3.7	30.8	-33.5	0	0	0	112.3	S522 I523	P520-S522 PolarHBondContact O-N 2.96Å; P520-I523 HydrophobicContact CG-CG1 4.12Å; P520-I523 PolarHBondContact O-N 2.86Å
521	A	81.8	Confident	87.2	Confident	53 Å²	53	63.2 Å²	63.2	44%	0.438	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.9	-173.7	0	0	0	0	0	114.7	I523 R525	A521-I523 VanDerWaalsContact C-N 3.27Å; A521-I523 PolarHBondContact O-N 3.46Å; A521-R525 WeakPolarHBondContact O-CD 3.46Å; A521-R525 VanDerWaalsContact O-CG 3.23Å; A521-R525 WeakPolarHBondContact O-CG 3.29Å; A521-R525 PolarHBondContact O-N 2.99Å
522	S	82.3	Confident	86.9	Confident	60 Å²	60	64.6 Å²	64.6	42%	0.42	33%	0.332	S	S	.	.	H	α-helix	trans	-61.7	-30.7	169.7	46.5	0	0	0	0	112.9	P520 R525 N526	P520-S522 PolarHBondContact O-N 2.96Å; S522-R525 PolarHBondContact O-N 3.04Å; S522-N526 WeakPolarHBondContact O-CB 3.29Å; S522-N526 PolarHBondContact O-N 3.24Å; S522-N526 PolarHBondContact O-OD1 3.21Å
523	I	85.9	Confident	86.6	Confident	16 Å²	16	66.6 Å²	66.6	8%	0.082	35%	0.346	C	S	.	.	H	α-helix	trans	-66.8	-58.3	-177.8	-57.3	-59.5	0	0	0	111.1	L516 P520 A521 R525 N526 W527 I553 P554	L516-I523 HydrophobicContact CB-CG2 4.12Å; L516-I523 HydrophobicContact CD1-CG2 4.31Å; L516-I523 HydrophobicContact CD2-CG2 3.92Å; L516-I523 HydrophobicContact CG-CG2 4.34Å; P520-I523 HydrophobicContact CG-CG1 4.12Å; P520-I523 PolarHBondContact O-N 2.86Å; A521-I523 VanDerWaalsContact C-N 3.27Å; A521-I523 PolarHBondContact O-N 3.46Å; I523-R525 PolarHBondContact O-N 3.36Å; I523-R525 VanDerWaalsContact O-N 3.12Å; I523-N526 PolarHBondContact O-N 2.82Å; I523-W527 WeakPolarHBondContact O-CB 3.4Å; I523-W527 PolarHBondContact O-N 3.31Å; I523-I553 HydrophobicContact CG2-CG2 4Å; I523-P554 HydrophobicContact CG1-CG 4.42Å
524	R	85.3	Confident	86.1	Confident	104 Å²	104	64.4 Å²	64.4	39%	0.392	34%	0.337	S	S	.	.	H	α-helix	trans	-66.5	-9.2	176.4	-69.5	-171.9	178	-155.1	-4.1	114.2	E515 L516 R542	E515-R524 IonicContact OE2-CZ 3.9Å; E515-R524 IonicContact OE2-NH2 2.71Å; E515-R524 PolarHBondContact OE2-NH2 2.77Å; L516-R524 HydrophobicContact CB-CG 4.03Å; L516-R524 PolarHBondContact O-NE 2.94Å; L516-R524 PolarHBondContact O-NH2 2.89Å; R524-R542 PolarHBondContact O-NH1 3.02Å
525	R	84	Confident	85.8	Confident	177 Å²	177	66.3 Å²	66.3	67%	0.668	35%	0.348	S	S	*	.	H	α-helix	trans	-86.1	-47.6	170.4	-77	175.7	-177.3	-162.3	1.7	112.2	A521 S522 I523 R542	A521-R525 WeakPolarHBondContact O-CD 3.46Å; A521-R525 VanDerWaalsContact O-CG 3.23Å; A521-R525 WeakPolarHBondContact O-CG 3.29Å; A521-R525 PolarHBondContact O-N 2.99Å; S522-R525 PolarHBondContact O-N 3.04Å; I523-R525 PolarHBondContact O-N 3.36Å; I523-R525 VanDerWaalsContact O-N 3.12Å; R525-R542 WeakPolarHBondContact O-CD 2.93Å
526	N	86.2	Confident	85.8	Confident	47 Å²	47	67.6 Å²	67.6	25%	0.251	35%	0.35	S	S	.	.	H	α-helix	trans	-84.1	-26.6	-175	-67	14.8	0	0	0	112.2	S522 I523 L541 R542 I543	S522-N526 WeakPolarHBondContact O-CB 3.29Å; S522-N526 PolarHBondContact O-N 3.24Å; S522-N526 PolarHBondContact O-OD1 3.21Å; I523-N526 PolarHBondContact O-N 2.82Å; N526-L541 WeakPolarHBondContact O-CD1 3.47Å; N526-R542 WeakPolarHBondContact O-CB 3.25Å; N526-R542 PolarHBondContact O-N 3Å; N526-I543 HydrophobicContact CB-CD1 4.02Å; N526-I543 HydrophobicContact CB-CG1 4.49Å
527	W	87.8	Confident	85.8	Confident	6 Å²	6	67.3 Å²	67.3	2%	0.023	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153	-171.8	-57.7	91.1	0	0	0	112.6	I486 L516 I523 L539 L541 L546 I553 I573	I486-W527 HydrophobicContact CD1-CZ3 4.25Å; I486-W527 HydrophobicContact CG2-CH2 4.25Å; L516-W527 HydrophobicContact CD1-CB 3.95Å; I523-W527 WeakPolarHBondContact O-CB 3.4Å; I523-W527 PolarHBondContact O-N 3.31Å; W527-L539 HydrophobicContact CB-CD1 4.15Å; W527-L539 HydrophobicContact CE3-CD1 4.31Å; W527-L539 HydrophobicContact CE3-CG 4.14Å; W527-L541 HydrophobicContact CD2-CD1 3.99Å; W527-L541 HydrophobicContact CE3-CB 4.24Å; W527-L541 HydrophobicContact CE3-CD1 4.1Å; W527-L541 HydrophobicContact CH2-CB 4.36Å; W527-L541 HydrophobicContact CH2-CD1 3.69Å; W527-L541 HydrophobicContact CZ2-CD1 3.56Å; W527-L541 HydrophobicContact CZ3-CB 3.96Å; W527-L541 HydrophobicContact CZ3-CD1 3.97Å; W527-L546 HydrophobicContact CH2-CD2 4.3Å; W527-L546 HydrophobicContact CZ2-CD2 3.57Å; W527-I553 HydrophobicContact CD2-CD1 3.46Å; W527-I553 VanDerWaalsContact CD2-CD1 3.46Å; W527-I553 HydrophobicContact CE3-CD1 4.07Å; W527-I553 HydrophobicContact CG-CD1 3.72Å; W527-I553 HydrophobicContact CH2-CD1 4.31Å; W527-I553 HydrophobicContact CZ2-CD1 3.73Å; W527-I553 HydrophobicContact CZ3-CD1 4.46Å; W527-I553 VanDerWaalsContact NE1-CD1 3.34Å; W527-I573 HydrophobicContact CE3-CD1 4.35Å; W527-I573 HydrophobicContact CH2-CD1 3.62Å; W527-I573 HydrophobicContact CH2-CG2 4.1Å; W527-I573 HydrophobicContact CZ2-CD1 4.13Å; W527-I573 HydrophobicContact CZ3-CD1 3.75Å
528	T	88.3	Confident	85.8	Confident	49 Å²	49	67.6 Å²	67.6	30%	0.301	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	137.1	173.8	43	0	0	0	0	109	R540 R542	T528-R540 PolarHBondContact N-O 3.4Å; T528-R540 PolarHBondContact O-N 2.95Å; T528-R540 PolarHBondContact OG1-O 2.95Å; T528-R542 HydrophobicContact CG2-CB 4.07Å; T528-R542 HydrophobicContact CG2-CG 3.89Å
529	I	90.4	Very high	86	Confident	45 Å²	45	63.3 Å²	63.3	23%	0.231	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.8	171.4	-167.1	162.7	0	0	0	108.8	I498 F514 L516 A537 Q538 V555	I498-I529 HydrophobicContact CD1-CD1 3.6Å; I498-I529 HydrophobicContact CD1-CG1 4.34Å; F514-I529 HydrophobicContact CB-CD1 3.41Å; F514-I529 VanDerWaalsContact CB-CD1 3.41Å; F514-I529 HydrophobicContact CB-CG1 4.43Å; F514-I529 HydrophobicContact CG-CD1 4.38Å; L516-I529 HydrophobicContact CD1-CB 4.41Å; L516-I529 HydrophobicContact CD1-CG2 4.41Å; L516-I529 HydrophobicContact CG-CB 4.27Å; L516-I529 HydrophobicContact CG-CG2 4.08Å; I529-A537 HydrophobicContact CD1-CB 4.12Å; I529-A537 HydrophobicContact CG1-CB 4.05Å; I529-Q538 WeakPolarHBondContact CA-O 3.3Å; I529-V555 HydrophobicContact CD1-CG1 4.22Å
530	S	87.9	Confident	86.3	Confident	57 Å²	57	60.5 Å²	60.5	40%	0.399	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	126.2	176.6	53.9	0	0	0	0	109.8	Q538	S530-Q538 PolarHBondContact N-O 3.05Å; S530-Q538 PolarHBondContact O-N 2.88Å; S530-Q538 PolarHBondContact OG-O 3.17Å
531	R	85.9	Confident	86.3	Confident	139 Å²	139	58.3 Å²	58.3	53%	0.525	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	137.3	177.3	-166.4	170.3	-159.1	166	12.9	110.4	P511 F512 S533 G534	P511-R531 PolarHBondContact O-NH2 2.85Å; F512-R531 PolarHBondContact O-NH2 2.99Å; R531-S533 WeakPolarHBondContact CD-O 3.37Å; R531-S533 WeakPolarHBondContact CG-O 3.28Å; R531-S533 PolarHBondContact NE-O 2.86Å; R531-G534 PolarHBondContact NE-O 2.79Å; R531-G534 PolarHBondContact NH2-O 3.06Å
532	L	83.8	Confident	86.3	Confident	91 Å²	91	63.6 Å²	63.6	48%	0.476	30%	0.298	S	S	.	.			trans	-103.2	-46.1	173.5	-64.2	176.3	0	0	0	111.1	Y536 Q538	L532-Y536 WeakPolarHBondContact CA-O 3.47Å; L532-Y536 WeakPolarHBondContact CB-O 3.33Å; L532-Y536 PolarHBondContact N-O 3.35Å; L532-Q538 HydrophobicContact CD1-CB 3.99Å; L532-Q538 HydrophobicContact CD2-CB 4Å; L532-Q538 HydrophobicContact CG-CB 3.91Å
533	S	84.1	Confident	86.4	Confident	48 Å²	48	63 Å²	63	34%	0.336	29%	0.29	S	S	.	.	S	Bend	trans	-142.9	-160.5	178.2	69.3	0	0	0	0	109.9	R531 D535 Y536	R531-S533 WeakPolarHBondContact CD-O 3.37Å; R531-S533 WeakPolarHBondContact CG-O 3.28Å; R531-S533 PolarHBondContact NE-O 2.86Å; S533-D535 VanDerWaalsContact C-N 3.33Å; S533-D535 PolarHBondContact OG-N 3.27Å; S533-Y536 PolarHBondContact N-O 3.16Å; S533-Y536 VanDerWaalsContact N-O 3.13Å; S533-Y536 WeakPolarHBondContact OG-CD2 3.32Å; S533-Y536 PolarHBondContact OG-N 2.75Å
534	G	79.3	Confident	86	Confident	22 Å²	22	67.3 Å²	67.3	23%	0.227	32%	0.319	C	S	.	.	S	Bend	trans	-52.5	-53.6	166.8	0	0	0	0	0	111.9	P511 F512 R531	P511-G534 VanDerWaalsContact CB-CA 3.41Å; F512-G534 PolarHBondContact N-O 2.93Å; R531-G534 PolarHBondContact NE-O 2.79Å; R531-G534 PolarHBondContact NH2-O 3.06Å
535	D	85.9	Confident	85.9	Confident	61 Å²	61	68 Å²	68	33%	0.326	32%	0.322	S	S	.	.	S	Bend	trans	-113.4	-10.7	-156.3	-25	-73	0	0	0	112.6	T499 F512 F514 S533	T499-D535 WeakPolarHBondContact CA-O 3.44Å; T499-D535 PolarHBondContact OG1-O 3.1Å; F512-D535 HydrophobicContact CD2-CB 3.95Å; F512-D535 HydrophobicContact CE2-CB 4.35Å; F514-D535 WeakPolarHBondContact CZ-O 3.14Å; S533-D535 VanDerWaalsContact C-N 3.33Å; S533-D535 PolarHBondContact OG-N 3.27Å
536	Y	89.9	Confident	85.8	Confident	124 Å²	124	60.2 Å²	60.2	49%	0.486	29%	0.294	S	S	.	.			trans	-110.8	132.2	175.6	-65.2	-83.1	0	0	0	111.2	I498 T499 L532 S533	I498-Y536 WeakPolarHBondContact O-CA 3.44Å; T499-Y536 HydrophobicContact CG2-CD1 4.4Å; T499-Y536 HydrophobicContact CG2-CE1 4.04Å; L532-Y536 WeakPolarHBondContact CA-O 3.47Å; L532-Y536 WeakPolarHBondContact CB-O 3.33Å; L532-Y536 PolarHBondContact N-O 3.35Å; S533-Y536 PolarHBondContact N-O 3.16Å; S533-Y536 VanDerWaalsContact N-O 3.13Å; S533-Y536 WeakPolarHBondContact OG-CD2 3.32Å; S533-Y536 PolarHBondContact OG-N 2.75Å
537	A	90.8	Very high	85.6	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	163.9	167.6	0	0	0	0	0	110.7	I498 F514 I529	I498-A537 HydrophobicContact CD1-CB 4.28Å; I498-A537 HydrophobicContact CG1-CB 4.04Å; I498-A537 WeakPolarHBondContact CG1-O 3.46Å; I498-A537 PolarHBondContact N-O 2.94Å; I498-A537 PolarHBondContact O-N 3.26Å; F514-A537 HydrophobicContact CB-CB 4.05Å; F514-A537 HydrophobicContact CD1-CB 4.36Å; F514-A537 HydrophobicContact CD2-CB 3.58Å; F514-A537 HydrophobicContact CE2-CB 4.06Å; F514-A537 HydrophobicContact CG-CB 3.76Å; I529-A537 HydrophobicContact CD1-CB 4.12Å; I529-A537 HydrophobicContact CG1-CB 4.05Å
538	Q	90.1	Very high	85.3	Confident	15 Å²	15	66.7 Å²	66.7	7%	0.07	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	117.1	179.3	-171.7	161.8	98.3	0	0	109.8	R495 I496 N497 I529 S530 L532	R495-Q538 HydrophobicContact CB-CG 4Å; R495-Q538 VanDerWaalsContact CD-OE1 3.28Å; R495-Q538 HydrophobicContact CG-CG 4.31Å; I496-Q538 WeakPolarHBondContact O-CA 3.37Å; N497-Q538 PolarHBondContact OD1-NE2 2.79Å; I529-Q538 WeakPolarHBondContact CA-O 3.3Å; S530-Q538 PolarHBondContact N-O 3.05Å; S530-Q538 PolarHBondContact O-N 2.88Å; S530-Q538 PolarHBondContact OG-O 3.17Å; L532-Q538 HydrophobicContact CD1-CB 3.99Å; L532-Q538 HydrophobicContact CD2-CB 4Å; L532-Q538 HydrophobicContact CG-CB 3.91Å
539	L	89.4	Confident	85.1	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128	173.3	-175.7	60.8	0	0	0	109.1	I496 I498 L516 W527 I553 I571 I573	I496-L539 HydrophobicContact CB-CB 4.36Å; I496-L539 PolarHBondContact N-O 3.45Å; I496-L539 PolarHBondContact O-N 3.39Å; I498-L539 HydrophobicContact CD1-CB 4.05Å; I498-L539 HydrophobicContact CG1-CB 4.49Å; L516-L539 HydrophobicContact CD1-CD1 4.34Å; L516-L539 HydrophobicContact CD2-CD1 4.08Å; W527-L539 HydrophobicContact CB-CD1 4.15Å; W527-L539 HydrophobicContact CE3-CD1 4.31Å; W527-L539 HydrophobicContact CE3-CG 4.14Å; L539-I553 HydrophobicContact CD2-CD1 4.38Å; L539-I571 HydrophobicContact CD2-CG2 4.08Å; L539-I573 HydrophobicContact CD2-CD1 3.88Å
540	R	86.8	Confident	85	Confident	106 Å²	106	68.4 Å²	68.4	40%	0.4	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.2	-175.6	-179.8	179.2	172.2	-173.7	-1.2	111.2	T528 R542	T528-R540 PolarHBondContact N-O 3.4Å; T528-R540 PolarHBondContact O-N 2.95Å; T528-R540 PolarHBondContact OG1-O 2.95Å; R540-R542 PolarHBondContact O-N 2.86Å
541	L	85.9	Confident	84.9	Confident	3 Å²	3	68.9 Å²	68.9	2%	0.016	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	124.9	170.1	-167.9	72.4	0	0	0	110.1	I486 A490 N526 W527 I543 L546	I486-L541 HydrophobicContact CD1-CB 4.43Å; A490-L541 HydrophobicContact CB-CD2 4.3Å; N526-L541 WeakPolarHBondContact O-CD1 3.47Å; W527-L541 HydrophobicContact CD2-CD1 3.99Å; W527-L541 HydrophobicContact CE3-CB 4.24Å; W527-L541 HydrophobicContact CE3-CD1 4.1Å; W527-L541 HydrophobicContact CH2-CB 4.36Å; W527-L541 HydrophobicContact CH2-CD1 3.69Å; W527-L541 HydrophobicContact CZ2-CD1 3.56Å; W527-L541 HydrophobicContact CZ3-CB 3.96Å; W527-L541 HydrophobicContact CZ3-CD1 3.97Å; L541-I543 HydrophobicContact CD1-CD1 4.26Å; L541-I543 HydrophobicContact CD1-CG1 3.74Å; L541-I543 HydrophobicContact CD2-CG1 4.2Å; L541-I543 WeakPolarHBondContact CD2-O 3.46Å; L541-I543 HydrophobicContact CG-CG1 3.81Å; L541-I543 WeakPolarHBondContact CG-O 3.23Å; L541-L546 HydrophobicContact CD1-CB 4.14Å; L541-L546 HydrophobicContact CD1-CD2 3.71Å; L541-L546 HydrophobicContact CD2-CB 3.83Å
542	R	83.3	Confident	85.1	Confident	165 Å²	165	66 Å²	66	62%	0.623	34%	0.342	S	S	*	.			trans	-85.8	-32.2	-178.7	-166.5	-172.4	-177.4	165	-0.8	112.5	R524 R525 N526 T528 R540	R524-R542 PolarHBondContact O-NH1 3.02Å; R525-R542 WeakPolarHBondContact O-CD 2.93Å; N526-R542 WeakPolarHBondContact O-CB 3.25Å; N526-R542 PolarHBondContact O-N 3Å; T528-R542 HydrophobicContact CG2-CB 4.07Å; T528-R542 HydrophobicContact CG2-CG 3.89Å; R540-R542 PolarHBondContact O-N 2.86Å
543	I	83.4	Confident	85.4	Confident	47 Å²	47	61.7 Å²	61.7	24%	0.241	32%	0.319	C	S	.	.	S	Bend	trans	-84	149.8	178.2	55.5	177.6	0	0	0	110.7	A490 N526 L541 Y545 L546	A490-I543 WeakPolarHBondContact CB-O 3.47Å; N526-I543 HydrophobicContact CB-CD1 4.02Å; N526-I543 HydrophobicContact CB-CG1 4.49Å; L541-I543 HydrophobicContact CD1-CD1 4.26Å; L541-I543 HydrophobicContact CD1-CG1 3.74Å; L541-I543 HydrophobicContact CD2-CG1 4.2Å; L541-I543 WeakPolarHBondContact CD2-O 3.46Å; L541-I543 HydrophobicContact CG-CG1 3.81Å; L541-I543 WeakPolarHBondContact CG-O 3.23Å; I543-Y545 VanDerWaalsContact C-N 3.3Å; I543-Y545 WeakPolarHBondContact CD1-O 3.06Å; I543-Y545 PolarHBondContact O-N 2.93Å; I543-L546 HydrophobicContact CD1-CB 4.33Å; I543-L546 HydrophobicContact CD1-CD1 4.2Å
544	P	78.1	Confident	85.7	Confident	107 Å²	107	59.6 Å²	59.6	70%	0.695	31%	0.305	S	S	*	.	S	Bend	trans	-71.7	-24.1	-173.6	28.4	-35.8	0	0	0	113.8	A490	A490-P544 PolarHBondContact N-O 3.27Å
545	Y	81.9	Confident	86.3	Confident	118 Å²	118	58.6 Å²	58.6	46%	0.463	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-142.8	142.8	-178.4	174.9	-100.6	0	0	0	110.1	E488 R489 I543 E547	E488-Y545 HydrophobicContact CB-CD2 4.37Å; E488-Y545 HydrophobicContact CB-CE2 4.05Å; E488-Y545 HydrophobicContact CG-CE2 4.44Å; E488-Y545 CarbonylContact O-C 3.6Å; E488-Y545 VanDerWaalsContact O-CA 3.28Å; E488-Y545 WeakPolarHBondContact O-CA 3.49Å; E488-Y545 WeakPolarHBondContact O-CD2 3.42Å; R489-Y545 HydrophobicContact CG-CD2 4.27Å; I543-Y545 VanDerWaalsContact C-N 3.3Å; I543-Y545 WeakPolarHBondContact CD1-O 3.06Å; I543-Y545 PolarHBondContact O-N 2.93Å; Y545-E547 HydrophobicContact CE1-CG 3.8Å
546	L	83.7	Confident	86.5	Confident	14 Å²	14	58.1 Å²	58.1	7%	0.073	29%	0.291	C	S	.	.			trans	-139.7	137.8	170.2	-179.2	61	0	0	0	108.2	E488 W527 L541 I543 Y551 V575	E488-L546 WeakPolarHBondContact CA-O 3.36Å; E488-L546 WeakPolarHBondContact CB-O 3.13Å; E488-L546 PolarHBondContact O-N 3.41Å; W527-L546 HydrophobicContact CH2-CD2 4.3Å; W527-L546 HydrophobicContact CZ2-CD2 3.57Å; L541-L546 HydrophobicContact CD1-CB 4.14Å; L541-L546 HydrophobicContact CD1-CD2 3.71Å; L541-L546 HydrophobicContact CD2-CB 3.83Å; I543-L546 HydrophobicContact CD1-CB 4.33Å; I543-L546 HydrophobicContact CD1-CD1 4.2Å; L546-Y551 HydrophobicContact CD1-CE1 3.87Å; L546-Y551 HydrophobicContact CD1-CE2 4.07Å; L546-Y551 WeakPolarHBondContact CD1-OH 3.29Å; L546-Y551 HydrophobicContact CD2-CD2 3.97Å; L546-Y551 HydrophobicContact CD2-CE1 4.48Å; L546-Y551 HydrophobicContact CD2-CE2 3.84Å; L546-Y551 HydrophobicContact CD2-CG 4.35Å; L546-Y551 HydrophobicContact CG-CD2 4.43Å; L546-Y551 HydrophobicContact CG-CE1 4.45Å; L546-Y551 HydrophobicContact CG-CE2 3.78Å; L546-V575 HydrophobicContact CD2-CG2 3.81Å; L546-V575 HydrophobicContact CG-CG2 4.26Å
547	E	81.8	Confident	86.6	Confident	130 Å²	130	52.2 Å²	52.2	61%	0.607	27%	0.268	S	S	*	.			trans	-66.2	152	-175.6	-64.4	176.8	157.2	0	0	112.2	Y545 G549 Y551 V575	Y545-E547 HydrophobicContact CE1-CG 3.8Å; E547-G549 PolarHBondContact O-N 2.54Å; E547-Y551 WeakPolarHBondContact O-CE2 3.2Å; E547-Y551 PolarHBondContact O-OH 3.49Å; E547-V575 WeakPolarHBondContact O-CB 3.47Å; E547-V575 WeakPolarHBondContact O-CG1 3.11Å
548	A	81.3	Confident	86.7	Confident	59 Å²	59	53.7 Å²	53.7	49%	0.488	28%	0.278	S	S	.	.	S	Bend	trans	-67.7	125.4	177.9	0	0	0	0	0	111	V575 P577	A548-V575 WeakPolarHBondContact CA-O 3.23Å; A548-P577 HydrophobicContact CB-CG 4.43Å
549	G	84.1	Confident	86.8	Confident	30 Å²	30	53.2 Å²	53.2	31%	0.309	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	171.3	-176.8	-170.6	0	0	0	0	0	112.7	E547 V575	E547-G549 PolarHBondContact O-N 2.54Å; G549-V575 PolarHBondContact N-O 3Å; G549-V575 VanDerWaalsContact N-O 3.07Å; G549-V575 PolarHBondContact O-N 2.81Å
550	V	87.1	Confident	86.7	Confident	100 Å²	100	55.6 Å²	55.6	61%	0.606	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.1	176	-178.9	0	0	0	0	109.4	I573 K574	V550-I573 WeakPolarHBondContact CA-O 3.35Å; V550-K574 HydrophobicContact CG2-CG 4.42Å
551	Y	87.1	Confident	86.7	Confident	67 Å²	67	51 Å²	51	26%	0.263	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.8	179.3	-64	-91.1	0	0	0	109.8	L546 E547 I573 V575	L546-Y551 HydrophobicContact CD1-CE1 3.87Å; L546-Y551 HydrophobicContact CD1-CE2 4.07Å; L546-Y551 WeakPolarHBondContact CD1-OH 3.29Å; L546-Y551 HydrophobicContact CD2-CD2 3.97Å; L546-Y551 HydrophobicContact CD2-CE1 4.48Å; L546-Y551 HydrophobicContact CD2-CE2 3.84Å; L546-Y551 HydrophobicContact CD2-CG 4.35Å; L546-Y551 HydrophobicContact CG-CD2 4.43Å; L546-Y551 HydrophobicContact CG-CE1 4.45Å; L546-Y551 HydrophobicContact CG-CE2 3.78Å; E547-Y551 WeakPolarHBondContact O-CE2 3.2Å; E547-Y551 PolarHBondContact O-OH 3.49Å; Y551-I573 PolarHBondContact N-O 3.25Å; Y551-I573 PolarHBondContact O-N 3.21Å; Y551-V575 HydrophobicContact CD2-CB 4.38Å; Y551-V575 HydrophobicContact CD2-CG2 3.55Å; Y551-V575 HydrophobicContact CE2-CB 4.2Å; Y551-V575 HydrophobicContact CE2-CG2 3.71Å
552	V	89.6	Confident	86.6	Confident	77 Å²	77	57.9 Å²	57.9	47%	0.467	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120	174.1	-170.4	0	0	0	0	108.4	M570 R572	V552-M570 HydrophobicContact CG1-CB 3.92Å; V552-M570 HydrophobicContact CG1-CE 4.42Å; V552-M570 HydrophobicContact CG1-CG 4.19Å; V552-M570 HydrophobicContact CG1-SD 3.7Å; V552-R572 HydrophobicContact CG2-CG 4.36Å
553	I	89.4	Confident	86.9	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.8	-177.8	-58.4	-175	0	0	0	109.5	L516 I523 W527 L539 V555 M570 I571 I573	L516-I553 HydrophobicContact CD2-CG2 3.94Å; I523-I553 HydrophobicContact CG2-CG2 4Å; W527-I553 HydrophobicContact CD2-CD1 3.46Å; W527-I553 VanDerWaalsContact CD2-CD1 3.46Å; W527-I553 HydrophobicContact CE3-CD1 4.07Å; W527-I553 HydrophobicContact CG-CD1 3.72Å; W527-I553 HydrophobicContact CH2-CD1 4.31Å; W527-I553 HydrophobicContact CZ2-CD1 3.73Å; W527-I553 HydrophobicContact CZ3-CD1 4.46Å; W527-I553 VanDerWaalsContact NE1-CD1 3.34Å; L539-I553 HydrophobicContact CD2-CD1 4.38Å; I553-V555 HydrophobicContact CG2-CG2 4.35Å; I553-M570 WeakPolarHBondContact O-CA 3.31Å; I553-I571 HydrophobicContact CB-CG2 3.86Å; I553-I571 HydrophobicContact CG2-CG2 4.44Å; I553-I571 PolarHBondContact N-O 2.93Å; I553-I571 PolarHBondContact O-N 3.18Å; I553-I573 HydrophobicContact CD1-CD1 3.45Å; I553-I573 VanDerWaalsContact CD1-CD1 3.45Å; I553-I573 HydrophobicContact CD1-CG1 4.3Å; I553-I573 HydrophobicContact CG1-CD1 4.33Å
554	P	91	Very high	87.2	Confident	5 Å²	5	56 Å²	56	3%	0.032	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.2	166.4	28.5	-32.7	0	0	0	110	P517 I523 R568 S569 M570	P517-P554 WeakPolarHBondContact CD-O 3.4Å; P517-P554 HydrophobicContact CG-CB 3.83Å; P517-P554 HydrophobicContact CG-CG 3.51Å; I523-P554 HydrophobicContact CG1-CG 4.42Å; P554-R568 HydrophobicContact CB-CG 4.14Å; P554-S569 WeakPolarHBondContact CA-O 3.17Å; P554-M570 VanDerWaalsContact CA-SD 3.55Å; P554-M570 HydrophobicContact CB-CE 4.36Å; P554-M570 HydrophobicContact CB-SD 3.66Å; P554-M570 HydrophobicContact CG-SD 4.33Å
555	V	91.1	Very high	87.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129	166.2	-174.3	0	0	0	0	106.2	L479 L516 I529 I553 V557 R568 S569 I571	L479-V555 HydrophobicContact CD1-CB 4.37Å; L479-V555 HydrophobicContact CD1-CG1 4.19Å; L479-V555 HydrophobicContact CD2-CB 4.01Å; L479-V555 HydrophobicContact CD2-CG2 3.96Å; L516-V555 HydrophobicContact CD2-CG2 4.21Å; I529-V555 HydrophobicContact CD1-CG1 4.22Å; I553-V555 HydrophobicContact CG2-CG2 4.35Å; V555-V557 HydrophobicContact CG1-CG2 4.37Å; V555-R568 CarbonylContact O-C 3.59Å; V555-S569 PolarHBondContact N-O 3.43Å; V555-S569 PolarHBondContact O-N 2.93Å; V555-I571 HydrophobicContact CG2-CG2 4.16Å
556	I	91.7	Very high	88.4	Confident	52 Å²	52	51.5 Å²	51.5	27%	0.267	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.2	167.4	-60	171.4	0	0	0	106.1	E515 P517 N567 R568	E515-I556 HydrophobicContact CB-CB 4.47Å; E515-I556 PolarHBondContact N-O 3.45Å; E515-I556 PolarHBondContact O-N 3.06Å; P517-I556 HydrophobicContact CB-CD1 4.06Å; I556-N567 WeakPolarHBondContact CA-O 3.4Å; I556-R568 HydrophobicContact CG1-CB 4.45Å; I556-R568 HydrophobicContact CG1-CG 4.14Å
557	V	92.1	Very high	88.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.5	166.9	-163	0	0	0	0	107.9	P477 L479 A500 F512 V513 F514 V555 S566 N567	P477-V557 HydrophobicContact CB-CB 4.12Å; P477-V557 HydrophobicContact CB-CG1 3.77Å; P477-V557 HydrophobicContact CG-CB 4.03Å; P477-V557 HydrophobicContact CG-CG1 3.8Å; L479-V557 HydrophobicContact CB-CG2 4.27Å; L479-V557 HydrophobicContact CD1-CG2 3.84Å; A500-V557 HydrophobicContact CB-CG1 3.89Å; F512-V557 HydrophobicContact CB-CG1 4.11Å; F512-V557 HydrophobicContact CD1-CG1 4.36Å; F512-V557 HydrophobicContact CG-CG1 4.38Å; V513-V557 CarbonylContact O-C 3.59Å; V513-V557 WeakPolarHBondContact O-CA 3.42Å; F514-V557 HydrophobicContact CD1-CB 4.43Å; F514-V557 HydrophobicContact CD1-CG1 3.9Å; F514-V557 HydrophobicContact CD1-CG2 3.79Å; F514-V557 HydrophobicContact CE1-CG1 3.82Å; F514-V557 HydrophobicContact CE1-CG2 4.04Å; F514-V557 HydrophobicContact CG-CG1 4.45Å; F514-V557 HydrophobicContact CZ-CG1 4.32Å; V555-V557 HydrophobicContact CG1-CG2 4.37Å; V557-S566 CarbonylContact O-C 3.49Å; V557-S566 WeakPolarHBondContact O-CA 3.21Å; V557-N567 PolarHBondContact N-O 3.02Å; V557-N567 PolarHBondContact O-N 3.41Å
558	S	91.4	Very high	89.2	Confident	31 Å²	31	53.4 Å²	53.4	22%	0.217	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.2	169.5	-76.6	0	0	0	0	109.9	F512 V513 L565 S566	F512-S558 CarbonylContact C-O 3.54Å; F512-S558 VanDerWaalsContact CA-O 3.3Å; F512-S558 WeakPolarHBondContact CA-O 3.36Å; V513-S558 PolarHBondContact N-O 2.77Å; V513-S558 PolarHBondContact O-N 3.24Å; S558-L565 WeakPolarHBondContact CA-O 3.05Å; S558-L565 WeakPolarHBondContact CB-O 3.36Å; S558-L565 PolarHBondContact OG-O 3.46Å; S558-S566 WeakPolarHBondContact OG-CB 3.38Å
559	D	92.8	Very high	89.6	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.027	30%	0.298	C	S	.	.			trans	-80.4	-164.9	175.7	48.5	82.5	0	0	0	111.5	N473 P477 G561 P564 L565	N473-D559 PolarHBondContact ND2-OD1 3.42Å; N473-D559 PolarHBondContact OD1-OD1 2.67Å; P477-D559 VanDerWaalsContact CD-OD2 3.3Å; P477-D559 WeakPolarHBondContact CD-OD2 3.49Å; P477-D559 HydrophobicContact CG-CB 4.04Å; D559-G561 PolarHBondContact OD1-N 3.06Å; D559-P564 WeakPolarHBondContact OD1-CA 3.46Å; D559-L565 VanDerWaalsContact CG-N 3.31Å; D559-L565 PolarHBondContact OD1-N 2.56Å; D559-L565 WeakPolarHBondContact OD2-CA 3.32Å; D559-L565 VanDerWaalsContact OD2-CB 3.28Å; D559-L565 WeakPolarHBondContact OD2-CB 3.29Å; D559-L565 PolarHBondContact OD2-N 2.76Å
560	S	88.3	Confident	89.9	Confident	51 Å²	51	54.3 Å²	54.3	36%	0.357	31%	0.305	S	S	.	.	S	Bend	trans	-123	9.5	176.5	-71.7	0	0	0	0	114.1	N508 P511	N508-S560 CarbonylContact O-C 3.43Å; N508-S560 PolarHBondContact O-N 2.84Å; N508-S560 VanDerWaalsContact O-N 3.08Å; P511-S560 WeakPolarHBondContact CD-OG 3.45Å; P511-S560 PolarHBondContact O-OG 2.8Å
561	G	86.1	Confident	90.1	Very high	8 Å²	8	49.6 Å²	49.6	8%	0.082	28%	0.276	C	S	.	.	S	Bend	trans	-69.3	-179	174.7	0	0	0	0	0	113.6	N508 D559 P563 P564	N508-G561 PolarHBondContact O-N 3.48Å; D559-G561 PolarHBondContact OD1-N 3.06Å; G561-P563 CarbonylContact O-C 3.6Å; G561-P564 VanDerWaalsContact O-CA 3.32Å; G561-P564 WeakPolarHBondContact O-CA 3.4Å; G561-P564 WeakPolarHBondContact O-CB 3.36Å; G561-P564 WeakPolarHBondContact O-CD 3.35Å; G561-P564 VanDerWaalsContact O-N 3.11Å
562	N	83.9	Confident	90.3	Very high	148 Å²	148	53 Å²	53	79%	0.791	29%	0.289	S	S	*	.	S	Bend	trans	-141	103.6	-173.3	179.8	38.8	0	0	0	111.5
563	P	89.2	Confident	90.3	Very high	91 Å²	91	49.3 Å²	49.3	59%	0.591	27%	0.266	S	S	*	.	S	Bend	cis	-70.7	144.1	3.8	30.7	-35.7	0	0	0	112.3	N473 G561	N473-P563 PolarHBondContact ND2-O 2.94Å; G561-P563 CarbonylContact O-C 3.6Å
564	P	90.3	Very high	90.1	Very high	82 Å²	82	54.9 Å²	54.9	53%	0.532	29%	0.291	S	S	.	.			trans	-71.5	136.9	177	29.2	-34.3	0	0	0	110.1	D559 G561	D559-P564 WeakPolarHBondContact OD1-CA 3.46Å; G561-P564 VanDerWaalsContact O-CA 3.32Å; G561-P564 WeakPolarHBondContact O-CA 3.4Å; G561-P564 WeakPolarHBondContact O-CB 3.36Å; G561-P564 WeakPolarHBondContact O-CD 3.35Å; G561-P564 VanDerWaalsContact O-N 3.11Å
565	L	92.7	Very high	89.9	Confident	54 Å²	54	54.8 Å²	54.8	28%	0.283	29%	0.29	S	S	.	.			trans	-92.3	176.8	176.7	-66.8	172.5	0	0	0	109.9	N473 D474 N475 A476 S558 D559	N473-L565 PolarHBondContact ND2-N 3.01Å; N473-L565 WeakPolarHBondContact O-CD1 3.27Å; D474-L565 WeakPolarHBondContact O-CD1 3.41Å; N475-L565 WeakPolarHBondContact O-CD1 3.34Å; A476-L565 HydrophobicContact CB-CB 3.97Å; S558-L565 WeakPolarHBondContact CA-O 3.05Å; S558-L565 WeakPolarHBondContact CB-O 3.36Å; S558-L565 PolarHBondContact OG-O 3.46Å; D559-L565 VanDerWaalsContact CG-N 3.31Å; D559-L565 PolarHBondContact OD1-N 2.56Å; D559-L565 WeakPolarHBondContact OD2-CA 3.32Å; D559-L565 VanDerWaalsContact OD2-CB 3.28Å; D559-L565 WeakPolarHBondContact OD2-CB 3.29Å; D559-L565 PolarHBondContact OD2-N 2.76Å
566	S	91.4	Very high	89.4	Confident	77 Å²	77	55.4 Å²	55.4	54%	0.538	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	138	179.5	67.5	0	0	0	0	112.5	V557 S558	V557-S566 CarbonylContact O-C 3.49Å; V557-S566 WeakPolarHBondContact O-CA 3.21Å; S558-S566 WeakPolarHBondContact OG-CB 3.38Å
567	N	92	Very high	88.8	Confident	58 Å²	58	55.2 Å²	55.2	31%	0.31	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.8	-177	-164.2	-15.5	0	0	0	111.1	A476 P477 I556 V557 S569	A476-N567 HydrophobicContact CB-CB 4.05Å; A476-N567 PolarHBondContact O-ND2 3.12Å; A476-N567 VanDerWaalsContact O-ND2 3.12Å; P477-N567 WeakPolarHBondContact O-CB 3.49Å; I556-N567 WeakPolarHBondContact CA-O 3.4Å; V557-N567 PolarHBondContact N-O 3.02Å; V557-N567 PolarHBondContact O-N 3.41Å; N567-S569 VanDerWaalsContact C-N 3.31Å; N567-S569 PolarHBondContact O-N 3.46Å; N567-S569 VanDerWaalsContact O-N 3.16Å
568	R	91	Very high	87.9	Confident	125 Å²	125	56.6 Å²	56.6	47%	0.472	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	65.6	-179.7	-167.5	175.3	179.6	-116.1	7.8	110.7	F519 P554 V555 I556	F519-R568 PolarHBondContact O-NH2 3.44Å; P554-R568 HydrophobicContact CB-CG 4.14Å; V555-R568 CarbonylContact O-C 3.59Å; I556-R568 HydrophobicContact CG1-CB 4.45Å; I556-R568 HydrophobicContact CG1-CG 4.14Å
569	S	90.1	Very high	86.9	Confident	15 Å²	15	58 Å²	58	11%	0.105	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	152.6	175.5	-76.3	0	0	0	0	112.8	L479 P554 V555 N567	L479-S569 PolarHBondContact N-OG 3.31Å; L479-S569 VanDerWaalsContact N-OG 3.14Å; P554-S569 WeakPolarHBondContact CA-O 3.17Å; V555-S569 PolarHBondContact N-O 3.43Å; V555-S569 PolarHBondContact O-N 2.93Å; N567-S569 VanDerWaalsContact C-N 3.31Å; N567-S569 PolarHBondContact O-N 3.46Å; N567-S569 VanDerWaalsContact O-N 3.16Å
570	M	89.8	Confident	85.7	Confident	94 Å²	94	65 Å²	65	46%	0.463	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.2	-179.7	-72.3	-73.8	-148.9	0	0	110.4	V552 I553 P554	V552-M570 HydrophobicContact CG1-CB 3.92Å; V552-M570 HydrophobicContact CG1-CE 4.42Å; V552-M570 HydrophobicContact CG1-CG 4.19Å; V552-M570 HydrophobicContact CG1-SD 3.7Å; I553-M570 WeakPolarHBondContact O-CA 3.31Å; P554-M570 VanDerWaalsContact CA-SD 3.55Å; P554-M570 HydrophobicContact CB-CE 4.36Å; P554-M570 HydrophobicContact CB-SD 3.66Å; P554-M570 HydrophobicContact CG-SD 4.33Å
571	I	91.2	Very high	84.7	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.5	170.3	-171	168.6	0	0	0	110.5	L479 P481 K482 A484 I496 I498 L539 I553 V555 I573	L479-I571 HydrophobicContact CD2-CB 3.79Å; L479-I571 HydrophobicContact CD2-CG2 4.24Å; P481-I571 WeakPolarHBondContact O-CD1 3.18Å; K482-I571 WeakPolarHBondContact O-CA 3.21Å; A484-I571 HydrophobicContact CB-CD1 3.93Å; A484-I571 HydrophobicContact CB-CG1 4.42Å; I496-I571 HydrophobicContact CG2-CD1 4.2Å; I498-I571 HydrophobicContact CG2-CD1 3.85Å; L539-I571 HydrophobicContact CD2-CG2 4.08Å; I553-I571 HydrophobicContact CB-CG2 3.86Å; I553-I571 HydrophobicContact CG2-CG2 4.44Å; I553-I571 PolarHBondContact N-O 2.93Å; I553-I571 PolarHBondContact O-N 3.18Å; V555-I571 HydrophobicContact CG2-CG2 4.16Å; I571-I573 HydrophobicContact CG1-CG1 4.33Å; I571-I573 HydrophobicContact CG2-CG1 4.39Å
572	R	91.3	Very high	83.6	Confident	138 Å²	138	69.2 Å²	69.2	52%	0.521	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	116.5	171.8	-67.9	167.4	170.1	-177.9	0.4	109.3	K482 E483 A484 V552	K482-R572 PolarHBondContact O-N 2.79Å; E483-R572 CarbonylContact C-O 3.58Å; E483-R572 WeakPolarHBondContact CA-O 3.49Å; E483-R572 HydrophobicContact CB-CB 4.43Å; E483-R572 HydrophobicContact CG-CB 4.1Å; E483-R572 WeakPolarHBondContact OE1-CD 3.44Å; E483-R572 IonicContact OE1-CZ 2.92Å; E483-R572 IonicContact OE1-NE 3.13Å; E483-R572 IonicContact OE1-NH1 2.72Å; E483-R572 PolarHBondContact OE1-NH1 2.74Å; A484-R572 PolarHBondContact N-O 3.37Å; V552-R572 HydrophobicContact CG2-CG 4.36Å
573	I	88.9	Confident	82.9	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.4	176.3	-56.7	-177.2	0	0	0	109.6	A484 I486 I496 W527 L539 V550 Y551 I553 I571 V575	A484-I573 WeakPolarHBondContact O-CA 3.31Å; I486-I573 HydrophobicContact CB-CG2 4.25Å; I486-I573 HydrophobicContact CG2-CG2 3.55Å; I496-I573 HydrophobicContact CD1-CD1 3.54Å; I496-I573 HydrophobicContact CD1-CG1 4.05Å; I496-I573 HydrophobicContact CD1-CG2 4.08Å; W527-I573 HydrophobicContact CE3-CD1 4.35Å; W527-I573 HydrophobicContact CH2-CD1 3.62Å; W527-I573 HydrophobicContact CH2-CG2 4.1Å; W527-I573 HydrophobicContact CZ2-CD1 4.13Å; W527-I573 HydrophobicContact CZ3-CD1 3.75Å; L539-I573 HydrophobicContact CD2-CD1 3.88Å; V550-I573 WeakPolarHBondContact CA-O 3.35Å; Y551-I573 PolarHBondContact N-O 3.25Å; Y551-I573 PolarHBondContact O-N 3.21Å; I553-I573 HydrophobicContact CD1-CD1 3.45Å; I553-I573 VanDerWaalsContact CD1-CD1 3.45Å; I553-I573 HydrophobicContact CD1-CG1 4.3Å; I553-I573 HydrophobicContact CG1-CD1 4.33Å; I571-I573 HydrophobicContact CG1-CG1 4.33Å; I571-I573 HydrophobicContact CG2-CG1 4.39Å; I573-V575 HydrophobicContact CG2-CG2 4.33Å
574	K	86.7	Confident	82	Confident	118 Å²	118	64.5 Å²	64.5	51%	0.513	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	109.8	170.7	-170.4	-178.2	179.4	-178.8	0	109.6	A484 Q485 I486 V550	A484-K574 PolarHBondContact O-N 2.66Å; Q485-K574 CarbonylContact C-O 3.28Å; Q485-K574 VanDerWaalsContact CA-O 3.23Å; Q485-K574 WeakPolarHBondContact CA-O 3.31Å; Q485-K574 HydrophobicContact CB-CB 4.38Å; I486-K574 PolarHBondContact N-O 3.11Å; V550-K574 HydrophobicContact CG2-CG 4.42Å
575	V	85.9	Confident	80.9	Confident	4 Å²	4	62 Å²	62	2%	0.024	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	124.6	175.1	-176.7	0	0	0	0	108.7	I486 E488 L546 E547 A548 G549 Y551 I573	I486-V575 HydrophobicContact CG2-CG2 3.83Å; I486-V575 WeakPolarHBondContact O-CA 3.43Å; E488-V575 HydrophobicContact CB-CG1 4.22Å; L546-V575 HydrophobicContact CD2-CG2 3.81Å; L546-V575 HydrophobicContact CG-CG2 4.26Å; E547-V575 WeakPolarHBondContact O-CB 3.47Å; E547-V575 WeakPolarHBondContact O-CG1 3.11Å; A548-V575 WeakPolarHBondContact CA-O 3.23Å; G549-V575 PolarHBondContact N-O 3Å; G549-V575 VanDerWaalsContact N-O 3.07Å; G549-V575 PolarHBondContact O-N 2.81Å; Y551-V575 HydrophobicContact CD2-CB 4.38Å; Y551-V575 HydrophobicContact CD2-CG2 3.55Å; Y551-V575 HydrophobicContact CE2-CB 4.2Å; Y551-V575 HydrophobicContact CE2-CG2 3.71Å; I573-V575 HydrophobicContact CG2-CG2 4.33Å
576	C	81.2	Confident	79.3	Confident	12 Å²	12	63.5 Å²	63.5	8%	0.081	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	155.5	-176.3	-66	0	0	0	0	112	I486 E488 C578 C584	I486-C576 PolarHBondContact O-N 2.89Å; E488-C576 PolarHBondContact N-O 3.09Å; C576-C578 PolarHBondContact O-N 2.87Å; C576-C584 HydrophobicContact CB-CB 3.58Å
577	P	79	Confident	77.4	Confident	48 Å²	48	65 Å²	65	31%	0.312	35%	0.351	S	S	.	.			trans	-58.9	133.4	170.8	-22.3	34.1	0	0	0	111.6	A548 S585	A548-P577 HydrophobicContact CB-CG 4.43Å; P577-S585 WeakPolarHBondContact O-CB 3.43Å; P577-S585 PolarHBondContact O-N 2.55Å; P577-S585 PolarHBondContact O-OG 2.92Å
578	C	73.4	Confident	75.4	Confident	29 Å²	29	64.5 Å²	64.5	20%	0.196	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-72.6	137	-177.2	-69	0	0	0	0	112.8	C487 E488 C576	C487-C578 WeakPolarHBondContact CB-SG 3.44Å; C487-C578 WeakPolarHBondContact SG-CA 3.24Å; C487-C578 WeakPolarHBondContact SG-CB 3.32Å; C487-C578 CovalentContact SG-SG 2.02Å; C487-C578 PolarHBondContact SG-SG 2.9Å; E488-C578 HydrophobicContact CG-CB 4.22Å; E488-C578 VanDerWaalsContact CG-SG 3.54Å; C576-C578 PolarHBondContact O-N 2.87Å
579	D	70.5	Confident	73.4	Confident	61 Å²	61	62.6 Å²	62.6	33%	0.326	37%	0.371	S	S	.	.			trans	-80.3	-174.2	161.5	90.7	-21.1	0	0	0	112.1	N581 G582 D583	D579-N581 WeakPolarHBondContact OD1-CA 3.11Å; D579-N581 PolarHBondContact OD1-N 3.05Å; D579-G582 PolarHBondContact O-N 3.18Å; D579-G582 PolarHBondContact OD1-N 3.4Å; D579-D583 PolarHBondContact N-O 3.26Å; D579-D583 PolarHBondContact OD1-N 2.87Å
580	N	67.8	Low	71.3	Confident	153 Å²	153	67.8 Å²	67.8	82%	0.818	40%	0.402	S	S	*	.	S	Bend	trans	-66.5	-39	179.7	-73.6	-28.5	0	0	0	112.7	R491 G582	R491-N580 PolarHBondContact NH1-O 2.89Å; R491-N580 PolarHBondContact NH2-O 3.22Å; N580-G582 VanDerWaalsContact C-N 3.34Å
581	N	66.3	Low	69.2	Low	131 Å²	131	67.8 Å²	67.8	70%	0.701	42%	0.417	S	S	*	.	S	Bend	trans	-71.1	-30.4	179.8	-73.5	-2.9	0	0	0	112.1	R491 D579	R491-N581 PolarHBondContact NH1-O 2.71Å; D579-N581 WeakPolarHBondContact OD1-CA 3.11Å; D579-N581 PolarHBondContact OD1-N 3.05Å
582	G	63.3	Low	67.1	Low	16 Å²	16	72.5 Å²	72.5	17%	0.165	46%	0.456	C	S	.	.	S	Bend	trans	111.2	19.3	-178.5	0	0	0	0	0	113.7	C487 D579 N580	C487-G582 VanDerWaalsContact SG-C 3.51Å; C487-G582 PolarHBondContact SG-O 2.86Å; D579-G582 PolarHBondContact O-N 3.18Å; D579-G582 PolarHBondContact OD1-N 3.4Å; N580-G582 VanDerWaalsContact C-N 3.34Å
583	D	68.3	Low	65	Low	109 Å²	109	68.9 Å²	68.9	58%	0.583	46%	0.455	S	S	*	.	S	Bend	trans	-99	165.8	176.7	-70.8	-53.3	0	0	0	111.7	D579 S585	D579-D583 PolarHBondContact N-O 3.26Å; D579-D583 PolarHBondContact OD1-N 2.87Å; D583-S585 PolarHBondContact O-N 3.46Å
584	C	71.8	Confident	63.4	Low	31 Å²	31	72.7 Å²	72.7	21%	0.209	50%	0.495	C	S	.	.	B	Isolated β-bridge	trans	-72.2	104.3	-177.8	-66.6	0	0	0	0	111.8	I486 C576 A586	I486-C584 VanDerWaalsContact C-SG 3.5Å; I486-C584 PolarHBondContact O-SG 2.97Å; C576-C584 HydrophobicContact CB-CB 3.58Å; C584-A586 PolarHBondContact O-N 3.35Å
585	S	66.8	Low	61.7	Low	28 Å²	28	70.7 Å²	70.7	20%	0.196	49%	0.489	C	S	.	.			trans	-69.6	129.5	177.4	67.3	0	0	0	0	112	P577 D583 T587	P577-S585 WeakPolarHBondContact O-CB 3.43Å; P577-S585 PolarHBondContact O-N 2.55Å; P577-S585 PolarHBondContact O-OG 2.92Å; D583-S585 PolarHBondContact O-N 3.46Å; S585-T587 PolarHBondContact O-N 2.95Å; S585-T587 PolarHBondContact OG-OG1 2.89Å
586	A	59.1	Low	60.5	Low	87 Å²	87	72.9 Å²	72.9	72%	0.719	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-77.2	3.9	-178.1	0	0	0	0	0	114.3	C584 G588 A589	C584-A586 PolarHBondContact O-N 3.35Å; A586-G588 VanDerWaalsContact C-N 3.28Å; A586-G588 PolarHBondContact O-N 2.75Å; A586-A589 PolarHBondContact O-N 2.95Å
587	T	51.7	Low	59.8	Low	107 Å²	107	77.6 Å²	77.6	66%	0.656	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-67.8	-20.9	-169.1	50.6	0	0	0	0	114.3	S585 A589	S585-T587 PolarHBondContact O-N 2.95Å; S585-T587 PolarHBondContact OG-OG1 2.89Å; T587-A589 VanDerWaalsContact C-N 3.33Å; T587-A589 PolarHBondContact O-N 3.18Å
588	G	49.8	Very low	59.2	Low	49 Å²	49	77.7 Å²	77.7	51%	0.505	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-73.3	-15.6	179.7	0	0	0	0	0	115.6	A586 V590	A586-G588 VanDerWaalsContact C-N 3.28Å; A586-G588 PolarHBondContact O-N 2.75Å; G588-V590 PolarHBondContact O-N 2.71Å
589	A	48.4	Very low	58.7	Low	84 Å²	84	78.1 Å²	78.1	69%	0.694	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-76.8	-17.6	-169.9	0	0	0	0	0	115	A586 T587	A586-A589 PolarHBondContact O-N 2.95Å; T587-A589 VanDerWaalsContact C-N 3.33Å; T587-A589 PolarHBondContact O-N 3.18Å
590	V	46.1	Very low	58.7	Low	125 Å²	125	79.5 Å²	79.5	76%	0.758	56%	0.563	S	S	*	*	S	Bend	trans	-97.8	-15.7	-171	-165.5	0	0	0	0	112.9	G588	G588-V590 PolarHBondContact O-N 2.71Å
591	A	45.4	Very low	58.9	Low	94 Å²	94	76.7 Å²	76.7	78%	0.777	55%	0.546	S	S	*	.	S	Bend	trans	-87.5	-13.6	-173.3	0	0	0	0	0	115.1
592	A	48.3	Very low	59.2	Low	99 Å²	99	72.7 Å²	72.7	82%	0.818	53%	0.532	S	S	*	.	S	Bend	trans	-103.1	-6.3	-174.7	0	0	0	0	0	114.5
593	A	47.5	Very low	59.9	Low	62 Å²	62	76 Å²	76	51%	0.512	55%	0.545	S	S	.	.			trans	-115.5	77.5	175.1	0	0	0	0	0	109.3	L595	A593-L595 HydrophobicContact CB-CD1 4.09Å; A593-L595 PolarHBondContact O-N 3.04Å
594	G	54.4	Low	60.5	Low	80 Å²	80	75.4 Å²	75.4	83%	0.825	54%	0.541	S	S	*	.			trans	-69.6	62.3	-178.3	0	0	0	0	0	114	G596	G594-G596 VanDerWaalsContact C-N 3.34Å; G594-G596 PolarHBondContact O-N 2.85Å
595	L	51.2	Low	61	Low	76 Å²	76	78.2 Å²	78.2	40%	0.398	55%	0.553	S	S	.	*			trans	-68.8	94.7	167.4	-81.9	78.5	0	0	0	108.2	A593 A599 I600 I603	A593-L595 HydrophobicContact CB-CD1 4.09Å; A593-L595 PolarHBondContact O-N 3.04Å; L595-A599 HydrophobicContact CB-CB 3.87Å; L595-A599 HydrophobicContact CD2-CB 4.05Å; L595-A599 HydrophobicContact CG-CB 3.85Å; L595-I600 HydrophobicContact CB-CG1 4.13Å; L595-I603 HydrophobicContact CD2-CD1 3.41Å; L595-I603 VanDerWaalsContact CD2-CD1 3.41Å; L595-I603 HydrophobicContact CD2-CG1 4.43Å
596	G	61	Low	61.8	Low	49 Å²	49	80.5 Å²	80.5	51%	0.505	57%	0.568	S	S	.	*			trans	-53.5	159.4	167.4	0	0	0	0	0	110.8	G594 G598 A599 I600	G594-G596 VanDerWaalsContact C-N 3.34Å; G594-G596 PolarHBondContact O-N 2.85Å; G596-G598 PolarHBondContact O-N 3.24Å; G596-A599 WeakPolarHBondContact O-CA 3.41Å; G596-A599 WeakPolarHBondContact O-CB 3.37Å; G596-A599 PolarHBondContact O-N 2.9Å; G596-I600 PolarHBondContact O-N 2.8Å
597	T	65.4	Low	63	Low	112 Å²	112	80.4 Å²	80.4	69%	0.687	56%	0.555	S	S	*	*	H	α-helix	trans	-52.4	-33.7	-172.2	49.3	0	0	0	0	113.7	A599 I600 I601	T597-A599 VanDerWaalsContact C-N 3.34Å; T597-A599 PolarHBondContact O-N 2.8Å; T597-I600 PolarHBondContact O-N 2.87Å; T597-I601 WeakPolarHBondContact O-CB 3.43Å; T597-I601 WeakPolarHBondContact O-CD1 3.41Å; T597-I601 VanDerWaalsContact O-CG1 3.23Å; T597-I601 WeakPolarHBondContact O-CG1 3.49Å; T597-I601 PolarHBondContact O-N 3.33Å
598	G	67.6	Low	64.6	Low	50 Å²	50	80.4 Å²	80.4	52%	0.515	55%	0.549	S	S	.	.	H	α-helix	trans	-60.9	-33.2	172.6	0	0	0	0	0	115	G596 A602	G596-G598 PolarHBondContact O-N 3.24Å; G598-A602 VanDerWaalsContact O-CB 3.3Å; G598-A602 WeakPolarHBondContact O-CB 3.31Å; G598-A602 PolarHBondContact O-N 2.92Å
599	A	62.9	Low	66.2	Low	38 Å²	38	82.5 Å²	82.5	31%	0.314	55%	0.548	S	S	.	.	H	α-helix	trans	-79.1	-32.6	175.2	0	0	0	0	0	112.4	L595 G596 T597 A602 I603	L595-A599 HydrophobicContact CB-CB 3.87Å; L595-A599 HydrophobicContact CD2-CB 4.05Å; L595-A599 HydrophobicContact CG-CB 3.85Å; G596-A599 WeakPolarHBondContact O-CA 3.41Å; G596-A599 WeakPolarHBondContact O-CB 3.37Å; G596-A599 PolarHBondContact O-N 2.9Å; T597-A599 VanDerWaalsContact C-N 3.34Å; T597-A599 PolarHBondContact O-N 2.8Å; A599-A602 PolarHBondContact O-N 2.82Å; A599-I603 WeakPolarHBondContact O-CG1 3.27Å; A599-I603 PolarHBondContact O-N 2.74Å
600	I	69.4	Low	68	Low	90 Å²	90	83.8 Å²	83.8	46%	0.462	54%	0.543	S	S	.	.	H	α-helix	trans	-66.6	-41.6	170.2	-56.9	-179.6	0	0	0	110.1	L595 G596 T597 I603 L604	L595-I600 HydrophobicContact CB-CG1 4.13Å; G596-I600 PolarHBondContact O-N 2.8Å; T597-I600 PolarHBondContact O-N 2.87Å; I600-I603 PolarHBondContact O-N 2.83Å; I600-L604 HydrophobicContact CG2-CD1 4.3Å; I600-L604 WeakPolarHBondContact O-CB 3.31Å; I600-L604 PolarHBondContact O-N 3.11Å
601	I	72.8	Confident	69.8	Low	93 Å²	93	83.2 Å²	83.2	48%	0.477	54%	0.535	S	S	.	.	H	α-helix	trans	-63.5	-42.8	172.2	-70.4	163.9	0	0	0	110.6	T597 I603 L604 I605	T597-I601 WeakPolarHBondContact O-CB 3.43Å; T597-I601 WeakPolarHBondContact O-CD1 3.41Å; T597-I601 VanDerWaalsContact O-CG1 3.23Å; T597-I601 WeakPolarHBondContact O-CG1 3.49Å; T597-I601 PolarHBondContact O-N 3.33Å; I601-I603 PolarHBondContact O-N 3Å; I601-L604 PolarHBondContact O-N 2.96Å; I601-I605 HydrophobicContact CG2-CD1 3.7Å; I601-I605 HydrophobicContact CG2-CG1 4.36Å; I601-I605 WeakPolarHBondContact O-CB 3.12Å; I601-I605 VanDerWaalsContact O-CG1 3.27Å; I601-I605 WeakPolarHBondContact O-CG1 3.38Å; I601-I605 PolarHBondContact O-N 2.88Å
602	A	72.5	Confident	71.6	Confident	47 Å²	47	81.3 Å²	81.3	39%	0.388	52%	0.516	S	S	.	.	H	α-helix	trans	-63.6	-39.4	175.7	0	0	0	0	0	112.4	G598 A599 I605 C606	G598-A602 VanDerWaalsContact O-CB 3.3Å; G598-A602 WeakPolarHBondContact O-CB 3.31Å; G598-A602 PolarHBondContact O-N 2.92Å; A599-A602 PolarHBondContact O-N 2.82Å; A602-I605 PolarHBondContact O-N 3.03Å; A602-C606 VanDerWaalsContact O-CB 3.3Å; A602-C606 WeakPolarHBondContact O-CB 3.46Å; A602-C606 PolarHBondContact O-N 2.86Å; A602-C606 PolarHBondContact O-SG 3.1Å
603	I	78.1	Confident	73.3	Confident	86 Å²	86	81.8 Å²	81.8	44%	0.441	50%	0.503	S	S	.	.	H	α-helix	trans	-68.8	-39.9	173.8	-73.8	-178	0	0	0	111.4	L595 A599 I600 I601 C606 I607	L595-I603 HydrophobicContact CD2-CD1 3.41Å; L595-I603 VanDerWaalsContact CD2-CD1 3.41Å; L595-I603 HydrophobicContact CD2-CG1 4.43Å; A599-I603 WeakPolarHBondContact O-CG1 3.27Å; A599-I603 PolarHBondContact O-N 2.74Å; I600-I603 PolarHBondContact O-N 2.83Å; I601-I603 PolarHBondContact O-N 3Å; I603-C606 PolarHBondContact O-N 3.3Å; I603-I607 HydrophobicContact CG2-CD1 3.63Å; I603-I607 HydrophobicContact CG2-CG1 4.27Å; I603-I607 WeakPolarHBondContact O-CB 3.29Å; I603-I607 VanDerWaalsContact O-CG1 3.25Å; I603-I607 WeakPolarHBondContact O-CG1 3.16Å; I603-I607 PolarHBondContact O-N 2.77Å
604	L	80.6	Confident	75.2	Confident	96 Å²	96	82.4 Å²	82.4	50%	0.503	50%	0.5	S	S	.	.	H	α-helix	trans	-62.8	-42.7	173.1	-84.3	164.3	0	0	0	111.9	I600 I601 I607 I608	I600-L604 HydrophobicContact CG2-CD1 4.3Å; I600-L604 WeakPolarHBondContact O-CB 3.31Å; I600-L604 PolarHBondContact O-N 3.11Å; I601-L604 PolarHBondContact O-N 2.96Å; L604-I607 PolarHBondContact O-N 2.96Å; L604-I608 WeakPolarHBondContact O-CB 3.29Å; L604-I608 WeakPolarHBondContact O-CD1 3.48Å; L604-I608 WeakPolarHBondContact O-CG1 3.29Å; L604-I608 PolarHBondContact O-N 2.98Å
605	I	82.5	Confident	76.5	Confident	91 Å²	91	84.1 Å²	84.1	47%	0.467	49%	0.489	S	S	.	.	H	α-helix	trans	-63.3	-45.6	174	-71.7	169.6	0	0	0	110.3	I601 A602 I607 I608 I609	I601-I605 HydrophobicContact CG2-CD1 3.7Å; I601-I605 HydrophobicContact CG2-CG1 4.36Å; I601-I605 WeakPolarHBondContact O-CB 3.12Å; I601-I605 VanDerWaalsContact O-CG1 3.27Å; I601-I605 WeakPolarHBondContact O-CG1 3.38Å; I601-I605 PolarHBondContact O-N 2.88Å; A602-I605 PolarHBondContact O-N 3.03Å; I605-I607 PolarHBondContact O-N 2.81Å; I605-I608 PolarHBondContact O-N 2.82Å; I605-I609 HydrophobicContact CG2-CD1 3.68Å; I605-I609 HydrophobicContact CG2-CG1 4.39Å; I605-I609 WeakPolarHBondContact O-CB 3.38Å; I605-I609 VanDerWaalsContact O-CG1 3.25Å; I605-I609 WeakPolarHBondContact O-CG1 3.39Å; I605-I609 PolarHBondContact O-N 3.12Å
606	C	82.7	Confident	77.9	Confident	76 Å²	76	85.5 Å²	85.5	51%	0.514	50%	0.497	S	S	.	.	H	α-helix	trans	-61.7	-41.2	174.9	-76.8	0	0	0	0	112.2	A602 I603 I609 L610	A602-C606 VanDerWaalsContact O-CB 3.3Å; A602-C606 WeakPolarHBondContact O-CB 3.46Å; A602-C606 PolarHBondContact O-N 2.86Å; A602-C606 PolarHBondContact O-SG 3.1Å; I603-C606 PolarHBondContact O-N 3.3Å; C606-I609 CarbonylContact O-C 3.57Å; C606-I609 PolarHBondContact O-N 2.72Å; C606-L610 VanDerWaalsContact O-CB 3.29Å; C606-L610 WeakPolarHBondContact O-CB 3.44Å; C606-L610 PolarHBondContact O-N 2.76Å
607	I	84.9	Confident	78.7	Confident	85 Å²	85	88.3 Å²	88.3	44%	0.436	50%	0.495	S	S	.	.	H	α-helix	trans	-67.5	-37.2	176	-72.2	169.5	0	0	0	110.9	I603 L604 I605 L610 L611	I603-I607 HydrophobicContact CG2-CD1 3.63Å; I603-I607 HydrophobicContact CG2-CG1 4.27Å; I603-I607 WeakPolarHBondContact O-CB 3.29Å; I603-I607 VanDerWaalsContact O-CG1 3.25Å; I603-I607 WeakPolarHBondContact O-CG1 3.16Å; I603-I607 PolarHBondContact O-N 2.77Å; L604-I607 PolarHBondContact O-N 2.96Å; I605-I607 PolarHBondContact O-N 2.81Å; I607-L610 PolarHBondContact O-N 3.04Å; I607-L611 HydrophobicContact CG2-CD1 3.82Å; I607-L611 HydrophobicContact CG2-CG 4.31Å; I607-L611 WeakPolarHBondContact O-CB 3.45Å; I607-L611 VanDerWaalsContact O-CG 3.26Å; I607-L611 WeakPolarHBondContact O-CG 3.31Å; I607-L611 PolarHBondContact O-N 2.94Å
608	I	84.3	Confident	79.4	Confident	106 Å²	106	86.8 Å²	86.8	54%	0.544	49%	0.486	S	S	.	.	H	α-helix	trans	-68.6	-37	173.6	-70.6	164	0	0	0	111	L604 I605 S612	L604-I608 WeakPolarHBondContact O-CB 3.29Å; L604-I608 WeakPolarHBondContact O-CD1 3.48Å; L604-I608 WeakPolarHBondContact O-CG1 3.29Å; L604-I608 PolarHBondContact O-N 2.98Å; I605-I608 PolarHBondContact O-N 2.82Å; I608-S612 VanDerWaalsContact O-CB 3.24Å; I608-S612 WeakPolarHBondContact O-CB 3.2Å; I608-S612 PolarHBondContact O-N 3.19Å; I608-S612 PolarHBondContact O-OG 2.84Å
609	I	84.6	Confident	79.9	Confident	93 Å²	93	88.3 Å²	88.3	48%	0.477	49%	0.485	S	S	.	.	H	α-helix	trans	-68	-40.4	172.9	-71.2	168.1	0	0	0	110.9	I605 C606 S612 M613	I605-I609 HydrophobicContact CG2-CD1 3.68Å; I605-I609 HydrophobicContact CG2-CG1 4.39Å; I605-I609 WeakPolarHBondContact O-CB 3.38Å; I605-I609 VanDerWaalsContact O-CG1 3.25Å; I605-I609 WeakPolarHBondContact O-CG1 3.39Å; I605-I609 PolarHBondContact O-N 3.12Å; C606-I609 CarbonylContact O-C 3.57Å; C606-I609 PolarHBondContact O-N 2.72Å; I609-S612 WeakPolarHBondContact CA-OG 3.46Å; I609-S612 PolarHBondContact O-OG 2.59Å; I609-M613 HydrophobicContact CG2-CG 4.4Å; I609-M613 WeakPolarHBondContact O-CB 3.48Å; I609-M613 WeakPolarHBondContact O-CG 3.44Å; I609-M613 PolarHBondContact O-N 2.76Å
610	L	85.9	Confident	80.5	Confident	112 Å²	112	92.2 Å²	92.2	59%	0.586	49%	0.491	S	S	*	.	H	α-helix	trans	-72.3	-42.1	179.1	-141.9	170.6	0	0	0	110.7	C606 I607 M613 V614	C606-L610 VanDerWaalsContact O-CB 3.29Å; C606-L610 WeakPolarHBondContact O-CB 3.44Å; C606-L610 PolarHBondContact O-N 2.76Å; I607-L610 PolarHBondContact O-N 3.04Å; L610-M613 PolarHBondContact O-N 3Å; L610-V614 HydrophobicContact CD2-CG2 3.91Å; L610-V614 WeakPolarHBondContact O-CB 3.41Å; L610-V614 VanDerWaalsContact O-CG2 3.3Å; L610-V614 WeakPolarHBondContact O-CG2 3.43Å; L610-V614 PolarHBondContact O-N 2.84Å
611	L	84.3	Confident	80.7	Confident	112 Å²	112	92.4 Å²	92.4	59%	0.586	49%	0.491	S	S	*	.	H	α-helix	trans	-63.8	-42.4	172.4	-76.5	170.5	0	0	0	111.7	I607 V614 L615	I607-L611 HydrophobicContact CG2-CD1 3.82Å; I607-L611 HydrophobicContact CG2-CG 4.31Å; I607-L611 WeakPolarHBondContact O-CB 3.45Å; I607-L611 VanDerWaalsContact O-CG 3.26Å; I607-L611 WeakPolarHBondContact O-CG 3.31Å; I607-L611 PolarHBondContact O-N 2.94Å; L611-V614 PolarHBondContact O-N 3.36Å; L611-L615 VanDerWaalsContact O-CB 3.32Å; L611-L615 WeakPolarHBondContact O-CB 3.5Å; L611-L615 PolarHBondContact O-N 2.92Å
612	S	81.9	Confident	80.5	Confident	54 Å²	54	95 Å²	95	38%	0.378	50%	0.499	S	S	.	.	H	α-helix	trans	-71.9	-30.6	175.5	57.1	0	0	0	0	112.9	I608 I609 L616	I608-S612 VanDerWaalsContact O-CB 3.24Å; I608-S612 WeakPolarHBondContact O-CB 3.2Å; I608-S612 PolarHBondContact O-N 3.19Å; I608-S612 PolarHBondContact O-OG 2.84Å; I609-S612 WeakPolarHBondContact CA-OG 3.46Å; I609-S612 PolarHBondContact O-OG 2.59Å; S612-L616 WeakPolarHBondContact O-CB 3.5Å; S612-L616 WeakPolarHBondContact O-CG 3.25Å; S612-L616 PolarHBondContact O-N 2.93Å
613	M	85.7	Confident	80.2	Confident	110 Å²	110	100.1 Å²	100.1	54%	0.542	51%	0.508	S	S	.	.	H	α-helix	trans	-66.6	-39.8	168.1	-79.1	-95	70.8	0	0	111.9	I609 L610 L616 F617	I609-M613 HydrophobicContact CG2-CG 4.4Å; I609-M613 WeakPolarHBondContact O-CB 3.48Å; I609-M613 WeakPolarHBondContact O-CG 3.44Å; I609-M613 PolarHBondContact O-N 2.76Å; L610-M613 PolarHBondContact O-N 3Å; M613-L616 HydrophobicContact CE-CB 4.36Å; M613-L616 HydrophobicContact CE-CD1 4Å; M613-L616 CarbonylContact O-C 3.57Å; M613-L616 PolarHBondContact O-N 3.25Å; M613-F617 WeakPolarHBondContact O-CB 3.3Å; M613-F617 PolarHBondContact O-N 3.29Å
614	V	85.7	Confident	79.5	Confident	74 Å²	74	102.4 Å²	102.4	45%	0.448	51%	0.512	S	S	.	.	H	α-helix	trans	-68.8	-40	174.5	167.3	0	0	0	0	110.9	L610 L611 F617 V618	L610-V614 HydrophobicContact CD2-CG2 3.91Å; L610-V614 WeakPolarHBondContact O-CB 3.41Å; L610-V614 VanDerWaalsContact O-CG2 3.3Å; L610-V614 WeakPolarHBondContact O-CG2 3.43Å; L610-V614 PolarHBondContact O-N 2.84Å; L611-V614 PolarHBondContact O-N 3.36Å; V614-F617 PolarHBondContact O-N 3.15Å; V614-V618 HydrophobicContact CG1-CG2 4.49Å; V614-V618 WeakPolarHBondContact O-CB 3.4Å; V614-V618 WeakPolarHBondContact O-CG2 3.4Å; V614-V618 PolarHBondContact O-N 2.88Å
615	L	82.3	Confident	78.3	Confident	116 Å²	116	103.7 Å²	103.7	61%	0.607	52%	0.515	S	S	*	.	H	α-helix	trans	-68	-39.9	175.6	-139.6	166	0	0	0	110.7	L611 V618 V619	L611-L615 VanDerWaalsContact O-CB 3.32Å; L611-L615 WeakPolarHBondContact O-CB 3.5Å; L611-L615 PolarHBondContact O-N 2.92Å; L615-V618 PolarHBondContact O-N 3.17Å; L615-V619 HydrophobicContact CD2-CG2 3.97Å; L615-V619 VanDerWaalsContact O-CB 3.29Å; L615-V619 WeakPolarHBondContact O-CB 3.21Å; L615-V619 VanDerWaalsContact O-CG2 3.23Å; L615-V619 WeakPolarHBondContact O-CG2 3.16Å; L615-V619 PolarHBondContact O-N 3.25Å
616	L	80	Confident	76.9	Confident	105 Å²	105	106.9 Å²	106.9	55%	0.55	53%	0.525	S	S	.	.	H	α-helix	trans	-64.2	-37.2	169.5	-77.7	168.5	0	0	0	112.1	S612 M613 W620	S612-L616 WeakPolarHBondContact O-CB 3.5Å; S612-L616 WeakPolarHBondContact O-CG 3.25Å; S612-L616 PolarHBondContact O-N 2.93Å; M613-L616 HydrophobicContact CE-CB 4.36Å; M613-L616 HydrophobicContact CE-CD1 4Å; M613-L616 CarbonylContact O-C 3.57Å; M613-L616 PolarHBondContact O-N 3.25Å; L616-W620 WeakPolarHBondContact O-CA 3Å; L616-W620 WeakPolarHBondContact O-CB 3.4Å; L616-W620 PolarHBondContact O-N 2.81Å
617	F	79.5	Confident	75.5	Confident	108 Å²	108	108.1 Å²	108.1	47%	0.474	52%	0.524	S	S	.	.	H	α-helix	trans	-69.9	-40.2	176.8	-177.7	-96.5	0	0	0	111.5	M613 V614 W620 M621	M613-F617 WeakPolarHBondContact O-CB 3.3Å; M613-F617 PolarHBondContact O-N 3.29Å; V614-F617 PolarHBondContact O-N 3.15Å; F617-W620 AromaticContact CD2-CE3 3.93Å; F617-W620 HydrophobicContact CD2-CE3 3.93Å; F617-W620 HydrophobicContact CD2-CZ3 4.09Å; F617-W620 AromaticContact CE2-CE3 3.93Å; F617-W620 HydrophobicContact CE2-CE3 3.93Å; F617-W620 AromaticContact CE2-CZ3 3.65Å; F617-W620 HydrophobicContact CE2-CZ3 3.65Å; F617-W620 HydrophobicContact CZ-CZ3 4.42Å; F617-W620 PolarHBondContact O-N 3.34Å; F617-M621 HydrophobicContact CD1-CG 3.97Å; F617-M621 HydrophobicContact CE1-CE 4.38Å; F617-M621 HydrophobicContact CE1-CG 3.66Å; F617-M621 HydrophobicContact CE1-SD 4.01Å; F617-M621 HydrophobicContact CE2-CG 4.47Å; F617-M621 HydrophobicContact CG-CG 4.5Å; F617-M621 HydrophobicContact CZ-CG 3.94Å; F617-M621 HydrophobicContact CZ-SD 3.92Å; F617-M621 VanDerWaalsContact O-CB 3.32Å; F617-M621 WeakPolarHBondContact O-CB 3.32Å; F617-M621 WeakPolarHBondContact O-CG 3.27Å; F617-M621 PolarHBondContact O-N 3.26Å
618	V	80.3	Confident	73.8	Confident	81 Å²	81	114.6 Å²	114.6	49%	0.491	54%	0.543	S	S	.	.	H	α-helix	trans	-67.6	-42	173.5	169.2	0	0	0	0	110.9	V614 L615 W620 K622	V614-V618 HydrophobicContact CG1-CG2 4.49Å; V614-V618 WeakPolarHBondContact O-CB 3.4Å; V614-V618 WeakPolarHBondContact O-CG2 3.4Å; V614-V618 PolarHBondContact O-N 2.88Å; L615-V618 PolarHBondContact O-N 3.17Å; V618-W620 VanDerWaalsContact C-N 3.33Å; V618-K622 WeakPolarHBondContact O-CB 3.46Å; V618-K622 PolarHBondContact O-N 2.77Å
619	V	77.9	Confident	72.1	Confident	82 Å²	82	118.2 Å²	118.2	50%	0.497	56%	0.557	S	S	.	*	H	α-helix	trans	-65.5	-36.9	172.9	167.7	0	0	0	0	111.2	L615 R623	L615-V619 HydrophobicContact CD2-CG2 3.97Å; L615-V619 VanDerWaalsContact O-CB 3.29Å; L615-V619 WeakPolarHBondContact O-CB 3.21Å; L615-V619 VanDerWaalsContact O-CG2 3.23Å; L615-V619 WeakPolarHBondContact O-CG2 3.16Å; L615-V619 PolarHBondContact O-N 3.25Å; V619-R623 WeakPolarHBondContact O-CB 3.38Å; V619-R623 PolarHBondContact O-N 3.14Å
620	W	75.1	Confident	70.3	Confident	119 Å²	119	117.2 Å²	117.2	45%	0.451	56%	0.563	S	S	.	*	H	α-helix	trans	-71.2	-42.8	176.7	176.2	81.9	0	0	0	112	L616 F617 V618 R623 R624	L616-W620 WeakPolarHBondContact O-CA 3Å; L616-W620 WeakPolarHBondContact O-CB 3.4Å; L616-W620 PolarHBondContact O-N 2.81Å; F617-W620 AromaticContact CD2-CE3 3.93Å; F617-W620 HydrophobicContact CD2-CE3 3.93Å; F617-W620 HydrophobicContact CD2-CZ3 4.09Å; F617-W620 AromaticContact CE2-CE3 3.93Å; F617-W620 HydrophobicContact CE2-CE3 3.93Å; F617-W620 AromaticContact CE2-CZ3 3.65Å; F617-W620 HydrophobicContact CE2-CZ3 3.65Å; F617-W620 HydrophobicContact CZ-CZ3 4.42Å; F617-W620 PolarHBondContact O-N 3.34Å; V618-W620 VanDerWaalsContact C-N 3.33Å; W620-R623 CarbonylContact O-C 3.52Å; W620-R623 PolarHBondContact O-N 2.97Å; W620-R624 WeakPolarHBondContact O-CB 3.35Å; W620-R624 PolarHBondContact O-N 3.43Å
621	M	72.3	Confident	68	Low	94 Å²	94	121.1 Å²	121.1	46%	0.463	58%	0.575	S	S	.	*	H	α-helix	trans	-56.6	-54.6	170.4	-73.6	-90.8	-76.6	0	0	110	F617 R623 R624 E625	F617-M621 HydrophobicContact CD1-CG 3.97Å; F617-M621 HydrophobicContact CE1-CE 4.38Å; F617-M621 HydrophobicContact CE1-CG 3.66Å; F617-M621 HydrophobicContact CE1-SD 4.01Å; F617-M621 HydrophobicContact CE2-CG 4.47Å; F617-M621 HydrophobicContact CG-CG 4.5Å; F617-M621 HydrophobicContact CZ-CG 3.94Å; F617-M621 HydrophobicContact CZ-SD 3.92Å; F617-M621 VanDerWaalsContact O-CB 3.32Å; F617-M621 WeakPolarHBondContact O-CB 3.32Å; F617-M621 WeakPolarHBondContact O-CG 3.27Å; F617-M621 PolarHBondContact O-N 3.26Å; M621-R623 VanDerWaalsContact C-N 3.26Å; M621-R623 PolarHBondContact O-N 3.09Å; M621-R624 CarbonylContact O-C 3.56Å; M621-R624 WeakPolarHBondContact O-CA 3.36Å; M621-R624 PolarHBondContact O-N 2.62Å; M621-E625 WeakPolarHBondContact O-CG 3.19Å; M621-E625 PolarHBondContact O-N 3.34Å
622	K	68.8	Low	65.9	Low	147 Å²	147	121.2 Å²	121.2	64%	0.639	58%	0.583	S	S	*	*	H	α-helix	trans	-67.3	-24.3	-178.7	-159.3	165.8	-169.1	168.2	0	113.6	V618 K626	V618-K622 WeakPolarHBondContact O-CB 3.46Å; V618-K622 PolarHBondContact O-N 2.77Å; K622-K626 PolarHBondContact O-N 2.87Å
623	R	66.9	Low	63.9	Low	155 Å²	155	127.3 Å²	127.3	59%	0.585	61%	0.61	S	S	*	*	H	α-helix	trans	-77.4	-38.8	168.7	176.7	176.9	166.4	168	-0.7	111.7	V619 W620 M621 K626 E627	V619-R623 WeakPolarHBondContact O-CB 3.38Å; V619-R623 PolarHBondContact O-N 3.14Å; W620-R623 CarbonylContact O-C 3.52Å; W620-R623 PolarHBondContact O-N 2.97Å; M621-R623 VanDerWaalsContact C-N 3.26Å; M621-R623 PolarHBondContact O-N 3.09Å; R623-K626 CarbonylContact O-C 3.52Å; R623-K626 PolarHBondContact O-N 3.29Å; R623-E627 HydrophobicContact CG-CG 4.39Å; R623-E627 IonicContact CZ-OE1 2.65Å; R623-E627 VanDerWaalsContact CZ-OE1 3.23Å; R623-E627 IonicContact NE-OE1 3.71Å; R623-E627 PolarHBondContact NE-OE1 2.87Å; R623-E627 IonicContact NH2-OE1 4Å; R623-E627 PolarHBondContact NH2-OE1 2.97Å; R623-E627 WeakPolarHBondContact O-CB 3.48Å; R623-E627 WeakPolarHBondContact O-CG 3.33Å; R623-E627 PolarHBondContact O-N 2.94Å
624	R	63.5	Low	61.7	Low	134 Å²	134	129 Å²	129	51%	0.506	62%	0.62	S	S	.	*	H	α-helix	trans	-73.1	-28.6	179.7	-163	172.7	-167.3	-165.8	0.5	112.1	W620 M621 R628	W620-R624 WeakPolarHBondContact O-CB 3.35Å; W620-R624 PolarHBondContact O-N 3.43Å; M621-R624 CarbonylContact O-C 3.56Å; M621-R624 WeakPolarHBondContact O-CA 3.36Å; M621-R624 PolarHBondContact O-N 2.62Å; R624-R628 WeakPolarHBondContact O-CG 3.5Å; R624-R628 PolarHBondContact O-N 2.98Å; R624-R628 VanDerWaalsContact O-N 3.12Å
625	E	55.2	Low	59.3	Low	123 Å²	123	133 Å²	133	58%	0.575	64%	0.638	S	S	*	*	H	α-helix	trans	-64	-48.1	164	-71.3	175.3	138.1	0	0	111	M621 E627 R628 Q629	M621-E625 WeakPolarHBondContact O-CG 3.19Å; M621-E625 PolarHBondContact O-N 3.34Å; E625-E627 PolarHBondContact O-N 3.1Å; E625-R628 WeakPolarHBondContact O-CB 3.16Å; E625-R628 PolarHBondContact O-N 2.93Å; E625-R628 VanDerWaalsContact O-N 3.12Å; E625-Q629 PolarHBondContact O-N 2.81Å
626	K	54.2	Low	56.9	Low	158 Å²	158	134.6 Å²	134.6	69%	0.687	65%	0.647	S	S	*	*	H	α-helix	trans	-62.9	-38.3	173.9	-83.4	-166	167.6	-167.4	0	113.5	K622 R623 R628 Q629 A630	K622-K626 PolarHBondContact O-N 2.87Å; R623-K626 CarbonylContact O-C 3.52Å; R623-K626 PolarHBondContact O-N 3.29Å; K626-R628 PolarHBondContact O-N 2.7Å; K626-Q629 PolarHBondContact O-N 2.93Å; K626-Q629 VanDerWaalsContact O-N 3.11Å; K626-A630 WeakPolarHBondContact O-CB 3.12Å; K626-A630 PolarHBondContact O-N 3.02Å
627	E	51.7	Low	55.5	Low	102 Å²	102	134.6 Å²	134.6	48%	0.477	65%	0.653	S	S	.	*	H	α-helix	trans	-70	-16.5	175.5	-73.4	173.7	176.4	0	0	112.6	R623 E625	R623-E627 HydrophobicContact CG-CG 4.39Å; R623-E627 IonicContact CZ-OE1 2.65Å; R623-E627 VanDerWaalsContact CZ-OE1 3.23Å; R623-E627 IonicContact NE-OE1 3.71Å; R623-E627 PolarHBondContact NE-OE1 2.87Å; R623-E627 IonicContact NH2-OE1 4Å; R623-E627 PolarHBondContact NH2-OE1 2.97Å; R623-E627 WeakPolarHBondContact O-CB 3.48Å; R623-E627 WeakPolarHBondContact O-CG 3.33Å; R623-E627 PolarHBondContact O-N 2.94Å; E625-E627 PolarHBondContact O-N 3.1Å
628	R	49.8	Very low	53.4	Low	222 Å²	222	138 Å²	138	84%	0.838	67%	0.67	S	S	*	*	H	α-helix	trans	-82.3	-15.7	168.3	-82.1	-179.1	168.8	-167.8	-4.3	114.3	R624 E625 K626	R624-R628 WeakPolarHBondContact O-CG 3.5Å; R624-R628 PolarHBondContact O-N 2.98Å; R624-R628 VanDerWaalsContact O-N 3.12Å; E625-R628 WeakPolarHBondContact O-CB 3.16Å; E625-R628 PolarHBondContact O-N 2.93Å; E625-R628 VanDerWaalsContact O-N 3.12Å; K626-R628 PolarHBondContact O-N 2.7Å
629	Q	48.6	Very low	51.3	Low	181 Å²	181	141.8 Å²	141.8	85%	0.846	69%	0.688	S	S	*	*	S	Bend	trans	-107.6	10.6	179.1	-70	-172.9	-29.5	0	0	113.6	E625 K626	E625-Q629 PolarHBondContact O-N 2.81Å; K626-Q629 PolarHBondContact O-N 2.93Å; K626-Q629 VanDerWaalsContact O-N 3.11Å
630	A	45.9	Very low	49.4	Very low	73 Å²	73	144.1 Å²	144.1	60%	0.603	70%	0.698	S	S	*	*			trans	-134.3	45.1	-168.6	0	0	0	0	0	114.7	K626	K626-A630 WeakPolarHBondContact O-CB 3.12Å; K626-A630 PolarHBondContact O-N 3.02Å
631	K	37.5	Very low	47.4	Very low	193 Å²	193	143.1 Å²	143.1	84%	0.839	71%	0.705	S	S	*	*			trans	-139.1	118.8	157.7	-71.8	-166.1	177.2	-174.2	0	110.1
632	P	41	Very low	45.6	Very low	114 Å²	114	148.2 Å²	148.2	74%	0.74	72%	0.719	S	S	*	*			trans	-72.4	148.3	174.1	30.9	-34.1	0	0	0	110.9
633	L	39.6	Very low	44.1	Very low	182 Å²	182	147 Å²	147	95%	0.953	72%	0.719	S	S	*	*			trans	-75.2	128.8	165.5	-72.1	164.4	0	0	0	108.9
634	L	39.2	Very low	42.6	Very low	145 Å²	145	146.9 Å²	146.9	76%	0.759	73%	0.73	S	S	*	*			trans	-164.2	154.7	179.9	-121.4	156.6	0	0	0	107.5
635	I	36.1	Very low	41.1	Very low	158 Å²	158	147.6 Å²	147.6	81%	0.81	74%	0.743	S	S	*	*			trans	75.7	92.7	-147.8	-51.6	165.5	0	0	0	107.7
636	D	32.7	Very low	40.3	Very low	151 Å²	151	149.2 Å²	149.2	81%	0.807	75%	0.754	S	S	*	*			cis	81.5	140.2	39.6	-142.5	39	0	0	0	111.7
637	P	50.2	Low	39.2	Very low	105 Å²	105	149 Å²	149	68%	0.682	75%	0.754	S	S	*	*			trans	-95.6	-177.7	-155.6	39.3	-38.5	0	0	0	115.3
638	E	34.3	Very low	38.5	Very low	178 Å²	178	154.1 Å²	154.1	83%	0.832	77%	0.77	S	S	*	*			trans	74.7	92.2	172.7	-58	-168.8	-170.8	0	0	117.1
639	D	37.4	Very low	37.8	Very low	161 Å²	161	149.1 Å²	149.1	86%	0.861	76%	0.76	S	S	*	*				173.2	84.1	129.6	-95	-14.9	0	0	0	106.5
640	D	37.5	Very low	37.3	Very low	132 Å²	132	149.6 Å²	149.6	71%	0.706	76%	0.762	S	S	*	*				80.6	129.7	62.8	-161.3	46.4	0	0	0	114
641	V	34	Very low	37.3	Very low	97 Å²	97	155.3 Å²	155.3	59%	0.588	78%	0.776	S	S	*	*			trans	54.7	150.8	165.2	-67.7	0	0	0	0	119.9
642	R	33.3	Very low	37.1	Very low	201 Å²	201	149.9 Å²	149.9	76%	0.758	78%	0.775	S	S	*	*			cis	-158.5	175.8	2.8	-129.4	161.3	-140.2	-98.6	-2.7	113.3
643	D	37.5	Very low	36.7	Very low	122 Å²	122	148.5 Å²	148.5	65%	0.652	78%	0.782	S	S	*	*			trans	70.3	126	157.3	-56.9	-17.7	0	0	0	117.7
644	N	34.7	Very low	36.4	Very low	153 Å²	153	143.5 Å²	143.5	82%	0.818	77%	0.774	S	S	*	*			cis	-123.3	139.5	7.4	-81.1	-73.5	0	0	0	113.3
645	I	33.8	Very low	36.2	Very low	149 Å²	149	146.4 Å²	146.4	76%	0.764	78%	0.784	S	S	*	*			trans	-106.5	145.2	170.7	-71.2	169	0	0	0	108.2
646	L	36.8	Very low	36.2	Very low	157 Å²	157	147.4 Å²	147.4	82%	0.822	79%	0.785	S	S	*	*			trans	147.7	128.9	148.2	-82	167.1	0	0	0	109.2
647	K	32.4	Very low	36.4	Very low	154 Å²	154	146.6 Å²	146.6	67%	0.67	78%	0.78	S	S	*	*			cis	-159.4	153.4	-17.7	-153	-174.7	172.5	-99	0	108.1	D649	K647-D649 IonicContact NZ-OD2 3.71Å; K647-D649 PolarHBondContact NZ-OD2 2.83Å
648	Y	37	Very low	35.8	Very low	208 Å²	208	149 Å²	149	82%	0.816	78%	0.783	S	S	*	*			trans	-71.9	169.8	165.3	-78	-100.1	0	0	0	109.5
649	D	33.4	Very low	35.8	Very low	117 Å²	117	148.8 Å²	148.8	63%	0.626	79%	0.787	S	S	*	*				-164.3	154	71.8	-61.6	-49.6	0	0	0	111.9	K647	K647-D649 IonicContact NZ-OD2 3.71Å; K647-D649 PolarHBondContact NZ-OD2 2.83Å
650	E	39.7	Very low	35.7	Very low	192 Å²	192	150.6 Å²	150.6	90%	0.897	78%	0.783	S	S	*	*			trans	60.6	139.7	164.1	-60.6	172.2	159.9	0	0	121.2
651	E	44.9	Very low	35.6	Very low	193 Å²	193	151.3 Å²	151.3	90%	0.902	79%	0.787	S	S	*	*			cis	-159	123.4	-36.4	-178.5	169.9	-156.1	0	0	108.6
652	G	33.1	Very low	36.1	Very low	78 Å²	78	153.6 Å²	153.6	80%	0.804	80%	0.795	S	S	*	*			trans	131	146	161	0	0	0	0	0	118.5
653	G	33.6	Very low	36.1	Very low	86 Å²	86	148 Å²	148	89%	0.887	79%	0.787	S	S	*	*			trans	95.3	117.8	153.7	0	0	0	0	0	118.3
654	G	33.6	Very low	36	Very low	77 Å²	77	151.1 Å²	151.1	79%	0.794	80%	0.798	S	S	*	*			trans	107.6	88.2	152.6	0	0	0	0	0	117.6
655	E	34.1	Very low	36	Very low	206 Å²	206	152.3 Å²	152.3	96%	0.963	80%	0.803	S	S	*	*			trans	-106.6	119.1	139.7	-72.1	-166.8	158.6	0	0	106.9
656	E	36.9	Very low	36	Very low	178 Å²	178	154.3 Å²	154.3	83%	0.832	81%	0.809	S	S	*	*			trans	-108	146	175.2	-75.7	-177.8	149.2	0	0	110.4
657	D	35.7	Very low	35.8	Very low	134 Å²	134	156.1 Å²	156.1	72%	0.717	81%	0.813	S	S	*	*			trans	53.9	102.9	154.9	-62.6	-0.2	0	0	0	120.1
658	Q	38.2	Very low	36.2	Very low	157 Å²	157	154.1 Å²	154.1	73%	0.734	82%	0.816	S	S	*	*				-169.5	88.8	108.8	-101.2	149.4	101.8	0	0	112.7	Y660	Q658-Y660 HydrophobicContact CB-CE2 4.31Å; Q658-Y660 HydrophobicContact CG-CE2 4.41Å
659	D	34.7	Very low	35.9	Very low	172 Å²	172	153.5 Å²	153.5	92%	0.92	82%	0.821	S	S	*	*			trans	-73.4	140	158	-80.2	-44.5	0	0	0	110.4
660	Y	34	Very low	35.8	Very low	200 Å²	200	153.5 Å²	153.5	78%	0.784	83%	0.83	S	S	*	*			trans	-114.9	128.4	171.2	-87.2	-91.6	0	0	0	110.3	Q658	Q658-Y660 HydrophobicContact CB-CE2 4.31Å; Q658-Y660 HydrophobicContact CG-CE2 4.41Å
661	D	36.1	Very low	35.4	Very low	146 Å²	146	152 Å²	152	78%	0.781	83%	0.827	S	S	*	*			trans	-76.1	166.7	-174.6	-166.5	18.5	0	0	0	113.7
662	L	44.4	Very low	34.8	Very low	145 Å²	145	148.5 Å²	148.5	76%	0.759	81%	0.814	S	S	*	*			trans	-71.5	179.3	-164.9	-81.7	72.5	0	0	0	115.7
663	S	33.7	Very low	34.7	Very low	83 Å²	83	152.2 Å²	152.2	58%	0.58	81%	0.811	S	S	*	*			trans	96.1	78	149	80.6	0	0	0	0	118.6
664	Q	35.5	Very low	34.6	Very low	189 Å²	189	153.9 Å²	153.9	88%	0.883	80%	0.798	S	S	*	*				-153.1	105.2	120	-77.7	-145	21.8	0	0	111.5
665	L	35.5	Very low	34.4	Very low	177 Å²	177	157.3 Å²	157.3	93%	0.927	80%	0.797	S	S	*	*			trans	-168.2	58.2	147.1	-112.1	171.7	0	0	0	112.5
666	Q	33.4	Very low	34.2	Very low	192 Å²	192	153.2 Å²	153.2	90%	0.897	79%	0.79	S	S	*	*			trans	-134.9	127	156.3	-80.9	-167.4	-13.5	0	0	109.6
667	Q	31.9	Very low	33.7	Very low	195 Å²	195	154.3 Å²	154.3	91%	0.911	79%	0.793	S	S	*	*			trans	-132.7	124	154.4	-80.2	-171.1	-31.6	0	0	107.1
668	P	40.9	Very low	33.9	Very low	112 Å²	112	152.9 Å²	152.9	73%	0.727	79%	0.79	S	S	*	*			trans	-85.5	163.1	165.4	35.9	-32.4	0	0	0	110.5
669	E	31.5	Very low	33.5	Very low	195 Å²	195	152.1 Å²	152.1	91%	0.911	80%	0.797	S	S	*	*				-178.2	178.4	115.3	-101.8	-176.4	-178.7	0	0	112.5
670	S	31.1	Very low	33.3	Very low	117 Å²	117	147.3 Å²	147.3	82%	0.818	79%	0.788	S	S	*	*			trans	-119	172.9	-165	52.7	0	0	0	0	114.4
671	L	31.2	Very low	33.4	Very low	161 Å²	161	145 Å²	145	84%	0.843	80%	0.795	S	S	*	*			trans	-51	157.6	-175.8	-110.5	65.1	0	0	0	116.5
672	D	31.3	Very low	33.2	Very low	118 Å²	118	147.7 Å²	147.7	63%	0.631	79%	0.794	S	S	*	*			cis	-138.6	-108.2	9.5	-175.5	10.5	0	0	0	112.6
673	H	31.3	Very low	32.8	Very low	156 Å²	156	151.9 Å²	151.9	72%	0.722	80%	0.799	S	S	*	*			cis	-146.5	92	-7.4	-150.9	43.4	0	0	0	114.7
674	I	30.7	Very low	33.2	Very low	121 Å²	121	154.2 Å²	154.2	62%	0.621	81%	0.81	S	S	*	*			trans	60.2	131.5	155.7	-15.5	178.6	0	0	0	122.2
675	I	30.6	Very low	33.4	Very low	150 Å²	150	152.8 Å²	152.8	77%	0.769	81%	0.809	S	S	*	*			trans	135.1	128.4	133.4	-70.1	-179.1	0	0	0	116.7
676	S	30.3	Very low	33.3	Very low	119 Å²	119	151 Å²	151	83%	0.832	80%	0.796	S	S	*	*			trans	92.8	128.1	158.2	71.3	0	0	0	0	121.4
677	K	26.1	Very low	33.6	Very low	202 Å²	202	153 Å²	153	88%	0.878	80%	0.795	S	S	*	*			trans	-91.6	179.3	177	-88.3	177.9	175.6	174.5	0	110.7
678	P	39.5	Very low	33.9	Very low	103 Å²	103	149.3 Å²	149.3	67%	0.669	79%	0.788	S	S	*	*			cis	-138.4	159.6	5.5	32.2	-10.1	0	0	0	118.5
679	T	29.8	Very low	33.7	Very low	141 Å²	141	151 Å²	151	87%	0.865	80%	0.795	S	S	*	*			trans	45.2	122.3	143.2	61.2	0	0	0	0	122.7
680	G	30.1	Very low	34.1	Very low	72 Å²	72	148.9 Å²	148.9	74%	0.742	79%	0.789	S	S	*	*			trans	-179.3	102.6	154.4	0	0	0	0	0	115.7
681	V	36.2	Very low	34.5	Very low	152 Å²	152	147.6 Å²	147.6	92%	0.921	79%	0.785	S	S	*	*			trans	61.3	114.2	169.1	-170.2	0	0	0	0	116.8
682	R	32.5	Very low	34.8	Very low	202 Å²	202	149.2 Å²	149.2	76%	0.762	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-100.7	138.8	174.4	-155.9	-176.8	-170.6	173.7	3.9	109.9	E686	R682-E686 IonicContact CZ-OE2 3.31Å; R682-E686 VanDerWaalsContact CZ-OE2 3.31Å; R682-E686 IonicContact NE-OE2 3.17Å; R682-E686 PolarHBondContact NE-OE2 3.45Å; R682-E686 IonicContact NH2-OE2 3.6Å; R682-E686 PolarHBondContact NH2-OE2 2.81Å
683	R	34.7	Very low	35	Very low	232 Å²	232	147.8 Å²	147.8	88%	0.875	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-87.3	154.9	161.8	-88.3	-171.6	166.8	90.4	-0.9	109.8
684	V	42.4	Very low	35.4	Very low	133 Å²	133	149.5 Å²	149.5	81%	0.806	80%	0.796	S	S	*	*	S	Bend	trans	-86.5	117	174.9	-177	0	0	0	0	107.6
685	D	39.3	Very low	35.7	Very low	159 Å²	159	153.6 Å²	153.6	85%	0.85	81%	0.805	S	S	*	*			trans	160.6	82.2	151.6	-82.3	-17.6	0	0	0	108.6
686	E	34.3	Very low	36.1	Very low	140 Å²	140	152 Å²	152	65%	0.654	81%	0.805	S	S	*	*			trans	-152.2	119.3	-177.2	-166.3	171.7	-141.4	0	0	109.2	R682	R682-E686 IonicContact CZ-OE2 3.31Å; R682-E686 VanDerWaalsContact CZ-OE2 3.31Å; R682-E686 IonicContact NE-OE2 3.17Å; R682-E686 PolarHBondContact NE-OE2 3.45Å; R682-E686 IonicContact NH2-OE2 3.6Å; R682-E686 PolarHBondContact NH2-OE2 2.81Å
687	R	39	Very low	36.6	Very low	234 Å²	234	153.3 Å²	153.3	88%	0.883	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-72	151.1	179.3	-96.1	-174.9	174.1	-178.3	-1.4	111.1	V689	R687-V689 PolarHBondContact O-N 3.07Å
688	P	38.5	Very low	37.6	Very low	117 Å²	117	153.3 Å²	153.3	76%	0.76	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-65.2	132.9	176.1	-18.1	31.6	0	0	0	111.8	I690	P688-I690 PolarHBondContact O-N 2.91Å
689	V	38	Very low	37.6	Very low	146 Å²	146	153.9 Å²	153.9	89%	0.885	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.7	119.3	165.7	178.9	0	0	0	0	108.3	R687	R687-V689 PolarHBondContact O-N 3.07Å
690	I	39.3	Very low	38.4	Very low	152 Å²	152	152.7 Å²	152.7	78%	0.779	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-87	136.4	170.5	-61.4	175.6	0	0	0	107.7	P688	P688-I690 PolarHBondContact O-N 2.91Å
691	A	39.4	Very low	39.4	Very low	89 Å²	89	157.9 Å²	157.9	74%	0.736	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-75.6	145.4	177.9	0	0	0	0	0	111.4	S693	A691-S693 PolarHBondContact O-N 2.88Å
692	E	38.3	Very low	39.7	Very low	195 Å²	195	156.2 Å²	156.2	91%	0.911	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-61.5	128.7	176.9	-64.2	-177.5	124.7	0	0	111.7
693	S	34.6	Very low	40.6	Very low	88 Å²	88	154.9 Å²	154.9	62%	0.615	80%	0.804	S	S	*	*			trans	-82.7	115.9	172.8	44.2	0	0	0	0	110.6	A691 Y695	A691-S693 PolarHBondContact O-N 2.88Å; S693-Y695 PolarHBondContact O-N 3.47Å; S693-Y695 VanDerWaalsContact O-N 3.12Å
694	Q	39	Very low	41.3	Very low	193 Å²	193	150.1 Å²	150.1	90%	0.902	80%	0.803	S	S	*	*			trans	-69.4	106.8	172.1	-71.2	-175.8	-19.4	0	0	110.2
695	Y	37.3	Very low	42	Very low	207 Å²	207	146.6 Å²	146.6	81%	0.812	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-68.3	128.6	170.2	-71.8	-86.8	0	0	0	110.7	S693	S693-Y695 PolarHBondContact O-N 3.47Å; S693-Y695 VanDerWaalsContact O-N 3.12Å
696	P	38.5	Very low	43	Very low	117 Å²	117	145 Å²	145	76%	0.76	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-68.2	140.3	169.7	28.9	-33.5	0	0	0	110.3	R698	P696-R698 PolarHBondContact O-N 2.84Å
697	V	42.4	Very low	44.2	Very low	146 Å²	146	143.9 Å²	143.9	89%	0.885	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-62.6	118.7	-177.6	-179.6	0	0	0	0	110.5
698	R	45.8	Very low	45.2	Very low	201 Å²	201	134.8 Å²	134.8	76%	0.758	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-75.7	131.4	177.9	-171.9	-178.6	-73.5	-151.6	-1.8	110.6	P696	P696-R698 PolarHBondContact O-N 2.84Å
699	P	39.8	Very low	46.4	Very low	116 Å²	116	134 Å²	134	75%	0.753	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-63	159.3	173.1	-23.8	34.9	0	0	0	113.9
700	S	46.3	Very low	47.8	Very low	116 Å²	116	133.6 Å²	133.6	81%	0.811	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-71.2	160.1	179	52.6	0	0	0	0	114.1
701	M	51	Low	49.1	Very low	181 Å²	181	131.3 Å²	131.3	89%	0.892	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-52.1	138.3	-175.7	-64.3	171.9	171.9	0	0	115.1
702	P	43.8	Very low	50.4	Low	116 Å²	116	131.4 Å²	131.4	75%	0.753	71%	0.714	S	S	*	*			trans	-82.8	177.2	157.2	34.9	-32.3	0	0	0	112.1
703	H	51	Low	51.9	Low	175 Å²	175	126.7 Å²	126.7	81%	0.81	70%	0.696	S	S	*	*			trans	-78.8	162.6	-170.6	-81.1	27.8	0	0	0	114.8	G705	H703-G705 PolarHBondContact O-N 2.77Å
704	P	50.2	Low	53.5	Low	131 Å²	131	124.6 Å²	124.6	85%	0.851	69%	0.687	S	S	*	*	S	Bend	trans	-69.2	94	179.6	28.6	-36.2	0	0	0	112.4
705	G	56.7	Low	55	Low	60 Å²	60	120.5 Å²	120.5	62%	0.619	67%	0.671	S	S	*	*	S	Bend	trans	-151.5	-65.4	169.9	0	0	0	0	0	110.3	H703 I707	H703-G705 PolarHBondContact O-N 2.77Å; G705-I707 PolarHBondContact O-N 2.86Å
706	D	59.1	Low	56.4	Low	126 Å²	126	118.3 Å²	118.3	67%	0.674	66%	0.662	S	S	*	*			trans	-100.3	59	-167.3	-55.9	-56.9	0	0	0	113.8	G708 F710	D706-G708 PolarHBondContact O-N 3.11Å; D706-F710 PolarHBondContact O-N 2.9Å
707	I	59.3	Low	57.7	Low	116 Å²	116	116 Å²	116	60%	0.595	65%	0.652	S	S	*	*	H	α-helix	trans	-64.1	-30.8	171.6	-69.2	174.1	0	0	0	111.2	G705 I711	G705-I707 PolarHBondContact O-N 2.86Å; I707-I711 HydrophobicContact CG2-CD1 3.84Å; I707-I711 HydrophobicContact CG2-CG1 4.49Å; I707-I711 WeakPolarHBondContact O-CG1 3.39Å; I707-I711 PolarHBondContact O-N 3.14Å
708	G	60.7	Low	58.7	Low	43 Å²	43	112.1 Å²	112.1	44%	0.443	64%	0.635	S	S	.	*	H	α-helix	trans	-61.1	-47	178.3	0	0	0	0	0	113	D706 I711 N712	D706-G708 PolarHBondContact O-N 3.11Å; G708-I711 PolarHBondContact O-N 3.23Å; G708-N712 VanDerWaalsContact O-CG 3.27Å; G708-N712 PolarHBondContact O-N 3.19Å; G708-N712 PolarHBondContact O-ND2 2.85Å
709	D	64.4	Low	59.5	Low	100 Å²	100	108.4 Å²	108.4	54%	0.535	63%	0.63	S	S	.	*	H	α-helix	trans	-72.2	-34.1	-177.9	-72.5	-13.6	0	0	0	112.4	I711 N712 D713	D709-I711 VanDerWaalsContact C-N 3.29Å; D709-I711 PolarHBondContact O-N 3.12Å; D709-N712 PolarHBondContact O-N 2.94Å; D709-D713 PolarHBondContact O-N 2.83Å
710	F	67.3	Low	60.5	Low	138 Å²	138	108.7 Å²	108.7	61%	0.605	63%	0.626	S	S	*	*	H	α-helix	trans	-59	-39.1	170.1	178	-97.8	0	0	0	112.5	D706 G714	D706-F710 PolarHBondContact O-N 2.9Å; F710-G714 PolarHBondContact O-N 3.46Å; F710-G714 VanDerWaalsContact O-N 3.13Å
711	I	66.1	Low	61.5	Low	104 Å²	104	107 Å²	107	53%	0.533	61%	0.607	S	S	.	*	H	α-helix	trans	-71.9	-43.2	175.7	-67.6	168.6	0	0	0	110.8	I707 G708 D709 G714 L715	I707-I711 HydrophobicContact CG2-CD1 3.84Å; I707-I711 HydrophobicContact CG2-CG1 4.49Å; I707-I711 WeakPolarHBondContact O-CG1 3.39Å; I707-I711 PolarHBondContact O-N 3.14Å; G708-I711 PolarHBondContact O-N 3.23Å; D709-I711 VanDerWaalsContact C-N 3.29Å; D709-I711 PolarHBondContact O-N 3.12Å; I711-G714 PolarHBondContact O-N 2.9Å; I711-L715 WeakPolarHBondContact O-CB 3.18Å; I711-L715 PolarHBondContact O-N 2.82Å
712	N	67.8	Low	61.8	Low	90 Å²	90	104.4 Å²	104.4	48%	0.481	60%	0.604	S	S	.	*	H	α-helix	trans	-63	-45.8	-179.5	-72.5	-34.1	0	0	0	112.8	G708 D709 L715 R716	G708-N712 VanDerWaalsContact O-CG 3.27Å; G708-N712 PolarHBondContact O-N 3.19Å; G708-N712 PolarHBondContact O-ND2 2.85Å; D709-N712 PolarHBondContact O-N 2.94Å; N712-L715 PolarHBondContact O-N 2.83Å; N712-R716 WeakPolarHBondContact O-CB 3.45Å; N712-R716 PolarHBondContact O-N 2.68Å
713	D	68.7	Low	62.6	Low	97 Å²	97	104.2 Å²	104.2	52%	0.519	60%	0.601	S	S	.	*	H	α-helix	trans	-73.8	-29.3	177	-83.6	-15.2	0	0	0	112.2	D709 R716 A717	D709-D713 PolarHBondContact O-N 2.83Å; D713-R716 IonicContact OD1-NH1 2.73Å; D713-R716 PolarHBondContact OD1-NH1 2.81Å; D713-R716 VanDerWaalsContact OD1-NH1 3.17Å; D713-A717 WeakPolarHBondContact O-CB 3.35Å; D713-A717 PolarHBondContact O-N 3.3Å
714	G	68.9	Low	62.8	Low	43 Å²	43	98.9 Å²	98.9	44%	0.443	59%	0.587	S	S	.	*	H	α-helix	trans	-62	-44.4	169.2	0	0	0	0	0	112.8	F710 I711 A717 A718	F710-G714 PolarHBondContact O-N 3.46Å; F710-G714 VanDerWaalsContact O-N 3.13Å; I711-G714 PolarHBondContact O-N 2.9Å; G714-A717 PolarHBondContact O-N 3.2Å; G714-A718 PolarHBondContact O-N 2.97Å
715	L	69	Low	63	Low	107 Å²	107	98.4 Å²	98.4	56%	0.56	58%	0.584	S	S	*	*	H	α-helix	trans	-65.4	-48.1	175.6	-166.2	76.9	0	0	0	111.1	I711 N712 A717 A718 D719	I711-L715 WeakPolarHBondContact O-CB 3.18Å; I711-L715 PolarHBondContact O-N 2.82Å; N712-L715 PolarHBondContact O-N 2.83Å; L715-A717 PolarHBondContact O-N 3.09Å; L715-A718 PolarHBondContact O-N 3.16Å; L715-D719 PolarHBondContact O-N 2.97Å
716	R	67	Low	62.3	Low	162 Å²	162	100.9 Å²	100.9	61%	0.611	59%	0.589	S	S	*	*	H	α-helix	trans	-60.5	-31.8	177.8	-179.6	-177.6	-83.1	147.3	-9.3	112.6	N712 D713 N720	N712-R716 WeakPolarHBondContact O-CB 3.45Å; N712-R716 PolarHBondContact O-N 2.68Å; D713-R716 IonicContact OD1-NH1 2.73Å; D713-R716 PolarHBondContact OD1-NH1 2.81Å; D713-R716 VanDerWaalsContact OD1-NH1 3.17Å; R716-N720 PolarHBondContact O-ND2 3.18Å
717	A	66.4	Low	61.5	Low	68 Å²	68	105.7 Å²	105.7	56%	0.562	60%	0.6	S	S	*	*	H	α-helix	trans	-70.1	-39.6	173.8	0	0	0	0	0	112.4	D713 G714 L715 D721	D713-A717 WeakPolarHBondContact O-CB 3.35Å; D713-A717 PolarHBondContact O-N 3.3Å; G714-A717 PolarHBondContact O-N 3.2Å; L715-A717 PolarHBondContact O-N 3.09Å; A717-D721 PolarHBondContact O-N 3.48Å
718	A	63	Low	60.3	Low	64 Å²	64	108 Å²	108	53%	0.529	61%	0.613	S	S	.	*	H	α-helix	trans	-70.2	-43.4	177.7	0	0	0	0	0	112.6	G714 L715 N720 D721	G714-A718 PolarHBondContact O-N 2.97Å; L715-A718 PolarHBondContact O-N 3.16Å; A718-N720 PolarHBondContact O-N 2.76Å; A718-N720 VanDerWaalsContact O-N 3.07Å; A718-D721 PolarHBondContact O-N 2.81Å
719	D	63.6	Low	59.1	Low	123 Å²	123	110.5 Å²	110.5	66%	0.658	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-14.2	178.2	-74.4	-20.7	0	0	0	113.7	L715	L715-D719 PolarHBondContact O-N 2.97Å
720	N	59.4	Low	58	Low	123 Å²	123	114.3 Å²	114.3	66%	0.658	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.9	12.4	-179.9	-70.2	-88.1	0	0	0	113.4	R716 A718 P722	R716-N720 PolarHBondContact O-ND2 3.18Å; A718-N720 PolarHBondContact O-N 2.76Å; A718-N720 VanDerWaalsContact O-N 3.07Å; N720-P722 VanDerWaalsContact O-CD 3.28Å; N720-P722 WeakPolarHBondContact O-CD 3.33Å
721	D	68.1	Low	56.5	Low	79 Å²	79	115.2 Å²	115.2	42%	0.422	65%	0.654	S	S	.	*			trans	-76.7	112.4	177.1	-169.6	-25.6	0	0	0	111.2	A717 A718 T723 A724	A717-D721 PolarHBondContact O-N 3.48Å; A718-D721 PolarHBondContact O-N 2.81Å; D721-T723 PolarHBondContact O-N 3.48Å; D721-T723 WeakPolarHBondContact OD1-CA 2.73Å; D721-T723 WeakPolarHBondContact OD1-CB 3.26Å; D721-T723 PolarHBondContact OD1-N 3.15Å; D721-T723 PolarHBondContact OD1-OG1 2.94Å; D721-T723 PolarHBondContact OD2-OG1 3.29Å; D721-A724 PolarHBondContact O-N 2.89Å
722	P	58.4	Low	54.9	Low	127 Å²	127	116.7 Å²	116.7	83%	0.825	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	0.4	-179.1	35.3	-37.6	0	0	0	113.5	N720	N720-P722 VanDerWaalsContact O-CD 3.28Å; N720-P722 WeakPolarHBondContact O-CD 3.33Å
723	T	58.8	Low	53.2	Low	113 Å²	113	122.3 Å²	122.3	69%	0.693	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-7.5	177	72.3	0	0	0	0	113.5	D721	D721-T723 PolarHBondContact O-N 3.48Å; D721-T723 WeakPolarHBondContact OD1-CA 2.73Å; D721-T723 WeakPolarHBondContact OD1-CB 3.26Å; D721-T723 PolarHBondContact OD1-N 3.15Å; D721-T723 PolarHBondContact OD1-OG1 2.94Å; D721-T723 PolarHBondContact OD2-OG1 3.29Å
724	A	55.9	Low	51.5	Low	62 Å²	62	125.1 Å²	125.1	51%	0.512	70%	0.702	S	S	.	*	S	Bend	trans	-64.9	125.8	174	0	0	0	0	0	111.1	D721	D721-A724 PolarHBondContact O-N 2.89Å
725	P	53.6	Low	49.7	Very low	121 Å²	121	133.5 Å²	133.5	79%	0.786	72%	0.722	S	S	*	*			trans	-73.2	130.9	-174.4	27.5	-33.9	0	0	0	112.3	Y727	P725-Y727 PolarHBondContact O-N 2.68Å
726	P	43.7	Very low	48.1	Very low	112 Å²	112	137.7 Å²	137.7	73%	0.727	74%	0.739	S	S	*	*			trans	-85.1	111	-176.3	31.9	-33.8	0	0	0	112.8
727	Y	42.1	Very low	46.5	Very low	228 Å²	228	133.2 Å²	133.2	89%	0.894	74%	0.744	S	S	*	*			trans	64.2	122.4	168.7	-58.7	-77.8	0	0	0	117.4	P725	P725-Y727 PolarHBondContact O-N 2.68Å
728	D	33.8	Very low	45	Very low	165 Å²	165	136.2 Å²	136.2	88%	0.882	76%	0.76	S	S	*	*			trans	-77.7	134.1	168.8	-165.2	5.9	0	0	0	110.5
729	S	34.9	Very low	43.8	Very low	94 Å²	94	136.4 Å²	136.4	66%	0.657	77%	0.769	S	S	*	*			trans	-114	111.4	-172.2	64.9	0	0	0	0	111.3	L731	S729-L731 VanDerWaalsContact C-N 3.29Å; S729-L731 PolarHBondContact O-N 2.8Å
730	L	40.6	Very low	42.3	Very low	180 Å²	180	136 Å²	136	94%	0.942	78%	0.776	S	S	*	*			trans	-64.4	76.6	178.9	-72.5	169.2	0	0	0	112.9
731	L	36.3	Very low	41.7	Very low	158 Å²	158	137 Å²	137	83%	0.827	79%	0.786	S	S	*	*			trans	-166.9	70.6	176.2	-117.7	168	0	0	0	114.3	S729	S729-L731 VanDerWaalsContact C-N 3.29Å; S729-L731 PolarHBondContact O-N 2.8Å
732	V	33.3	Very low	40.2	Very low	135 Å²	135	138 Å²	138	82%	0.818	81%	0.805	S	S	*	*			trans	-155.8	115.7	137.8	172.6	0	0	0	0	108
733	F	32.5	Very low	39.2	Very low	207 Å²	207	135.5 Å²	135.5	91%	0.908	80%	0.803	S	S	*	*			trans	-117.2	120	153.8	-95	-84.6	0	0	0	107
734	D	31.6	Very low	38	Very low	156 Å²	156	135.9 Å²	135.9	83%	0.834	81%	0.81	S	S	*	*			trans	-166.9	158	150	-118	-29.1	0	0	0	110.2
735	Y	32.3	Very low	36.8	Very low	219 Å²	219	139.7 Å²	139.7	86%	0.859	83%	0.827	S	S	*	*			trans	72.6	63.3	170.9	-121.9	-87.7	0	0	0	118.5
736	E	35.1	Very low	35.7	Very low	195 Å²	195	139.2 Å²	139.2	91%	0.911	83%	0.827	S	S	*	*			trans	-68.1	127.5	155.4	-72.5	-169.2	149.9	0	0	111.1
737	G	34.2	Very low	35.2	Very low	69 Å²	69	139.4 Å²	139.4	71%	0.711	83%	0.83	S	S	*	*			trans	-86.1	135.9	168.8	0	0	0	0	0	111.2	G739	G737-G739 PolarHBondContact O-N 3.47Å
738	S	34.2	Very low	34.7	Very low	130 Å²	130	136.9 Å²	136.9	91%	0.909	83%	0.831	S	S	*	*			trans	-69.5	115.3	-175.6	56.1	0	0	0	0	113.5
739	G	37.1	Very low	34.7	Very low	69 Å²	69	136.3 Å²	136.3	71%	0.711	83%	0.829	S	S	*	*			trans	-176.6	139.7	169	0	0	0	0	0	114.6	G737	G737-G739 PolarHBondContact O-N 3.47Å
740	S	31.5	Very low	34.6	Very low	114 Å²	114	137 Å²	137	80%	0.797	83%	0.833	S	S	*	*			trans	65	77.1	164.4	-57.3	0	0	0	0	119.8
741	T	47.8	Very low	34.4	Very low	143 Å²	143	134.9 Å²	134.9	88%	0.877	83%	0.828	S	S	*	*				30.8	100.5	123.4	57.2	0	0	0	0	119.7
742	A	36.8	Very low	34.2	Very low	100 Å²	100	133 Å²	133	83%	0.826	83%	0.828	S	S	*	*			trans	-146.4	145.5	146.5	0	0	0	0	0	109.5
743	G	36.6	Very low	34.6	Very low	76 Å²	76	132.6 Å²	132.6	78%	0.784	83%	0.831	S	S	*	*			trans	-79.5	132.3	-177.3	0	0	0	0	0	113.2
744	S	33.3	Very low	34.9	Very low	120 Å²	120	125.6 Å²	125.6	84%	0.839	82%	0.818	S	S	*	*			trans	-65	135.6	-178.2	-49.1	0	0	0	0	113.4
745	V	32.7	Very low	35.6	Very low	142 Å²	142	125.8 Å²	125.8	86%	0.861	82%	0.818	S	S	*	*			trans	-116.6	83.9	170.2	-76.1	0	0	0	0	111.2
746	S	29.8	Very low	36.3	Very low	112 Å²	112	122 Å²	122	78%	0.783	81%	0.809	S	S	*	*			trans	-149.8	79.6	177.4	-72.3	0	0	0	0	112.7
747	S	33.1	Very low	37.1	Very low	115 Å²	115	119.2 Å²	119.2	80%	0.804	80%	0.8	S	S	*	*			trans	177.5	98.4	140.1	42.9	0	0	0	0	112
748	L	30.9	Very low	38.3	Very low	175 Å²	175	119.6 Å²	119.6	92%	0.916	78%	0.781	S	S	*	*			trans	-111.9	102.6	153	-80.6	179.4	0	0	0	108.4
749	N	34.8	Very low	39.7	Very low	154 Å²	154	118.5 Å²	118.5	82%	0.824	77%	0.765	S	S	*	*			trans	-94.7	106.4	171.1	172.4	25	0	0	0	108
750	S	31.4	Very low	41.1	Very low	107 Å²	107	120.6 Å²	120.6	75%	0.748	75%	0.752	S	S	*	*			trans	-144.4	116.9	175.2	-75.4	0	0	0	0	111.7
751	T	36.8	Very low	42.8	Very low	136 Å²	136	116 Å²	116	83%	0.834	72%	0.718	S	S	*	*			trans	-62.7	133.6	171.7	47.8	0	0	0	0	113.7
752	S	33	Very low	43.7	Very low	118 Å²	118	113.2 Å²	113.2	83%	0.825	70%	0.698	S	S	*	*			trans	-154.3	121	143.4	61.6	0	0	0	0	110.3
753	S	41.3	Very low	45.4	Very low	127 Å²	127	115.5 Å²	115.5	89%	0.888	70%	0.696	S	S	*	*			trans	-81.2	135.6	169.8	51	0	0	0	0	110.9
754	G	38.7	Very low	47	Very low	61 Å²	61	119.2 Å²	119.2	63%	0.629	69%	0.687	S	S	*	*			trans	156	70.4	-179.9	0	0	0	0	0	112.5
755	D	46.3	Very low	48.4	Very low	159 Å²	159	114.8 Å²	114.8	85%	0.85	66%	0.66	S	S	*	*			trans	13.7	118.6	160.2	-45.3	-26.9	0	0	0	118.1
756	Q	46.7	Very low	50.2	Low	140 Å²	140	114.1 Å²	114.1	65%	0.654	66%	0.658	S	S	*	*			trans	-122	105.7	168.4	-66	-176.9	12.7	0	0	108.5	Y758	Q756-Y758 HydrophobicContact CB-CE2 4.07Å; Q756-Y758 WeakPolarHBondContact O-CD2 3.27Å; Q756-Y758 WeakPolarHBondContact O-CE2 3.24Å; Q756-Y758 PolarHBondContact O-N 3.46Å; Q756-Y758 PolarHBondContact OE1-OH 3.46Å
757	D	52.2	Low	51.7	Low	137 Å²	137	119.8 Å²	119.8	73%	0.733	66%	0.662	S	S	*	*			trans	-70.1	120.8	178.7	-65.6	-34.4	0	0	0	110.8	Y760	D757-Y760 WeakPolarHBondContact O-CE1 3.2Å
758	Y	60.1	Low	53	Low	76 Å²	76	118.1 Å²	118.1	30%	0.298	64%	0.641	S	S	.	*			trans	-100.8	6.5	-178.9	-70.1	-67.7	0	0	0	114.1	Q756 Y760 L761	Q756-Y758 HydrophobicContact CB-CE2 4.07Å; Q756-Y758 WeakPolarHBondContact O-CD2 3.27Å; Q756-Y758 WeakPolarHBondContact O-CE2 3.24Å; Q756-Y758 PolarHBondContact O-N 3.46Å; Q756-Y758 PolarHBondContact OE1-OH 3.46Å; Y758-Y760 HydrophobicContact CD1-CE1 4.3Å; Y758-Y760 PolarHBondContact O-N 2.89Å; Y758-L761 HydrophobicContact CD1-CD1 4.31Å; Y758-L761 WeakPolarHBondContact O-CB 3.31Å; Y758-L761 WeakPolarHBondContact O-CG 3.31Å; Y758-L761 PolarHBondContact O-N 3.15Å
759	D	62.3	Low	54.7	Low	107 Å²	107	115.2 Å²	115.2	57%	0.572	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-54.7	-32.1	-173.9	-74.8	-6.6	0	0	0	114.3	L761 N762	D759-L761 PolarHBondContact O-N 3.22Å; D759-N762 WeakPolarHBondContact O-CB 3.45Å; D759-N762 PolarHBondContact O-N 2.88Å; D759-N762 PolarHBondContact O-ND2 2.97Å; D759-N762 VanDerWaalsContact O-ND2 3.12Å
760	Y	67.9	Low	56.2	Low	114 Å²	114	116.5 Å²	116.5	45%	0.447	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-58.8	-18.2	177.5	68.4	-94	0	0	0	113.9	D757 Y758 N762 D763 W764	D757-Y760 WeakPolarHBondContact O-CE1 3.2Å; Y758-Y760 HydrophobicContact CD1-CE1 4.3Å; Y758-Y760 PolarHBondContact O-N 2.89Å; Y760-N762 PolarHBondContact O-N 2.86Å; Y760-D763 PolarHBondContact O-N 2.94Å; Y760-W764 HydrophobicContact CD2-CZ2 4.02Å; Y760-W764 AromaticContact CD2-NE1 3.88Å; Y760-W764 HydrophobicContact CE2-CH2 4.48Å; Y760-W764 AromaticContact CE2-CZ2 3.93Å; Y760-W764 HydrophobicContact CE2-CZ2 3.93Å; Y760-W764 PolarHBondContact O-NE1 3.4Å
761	L	67.1	Low	57.7	Low	18 Å²	18	115.3 Å²	115.3	9%	0.094	60%	0.604	C	S	.	*	G	3₁₀ helix	trans	-66	-19.8	174.6	-65.2	179	0	0	0	113.1	Y758 D759 W764 L771 A772	Y758-L761 HydrophobicContact CD1-CD1 4.31Å; Y758-L761 WeakPolarHBondContact O-CB 3.31Å; Y758-L761 WeakPolarHBondContact O-CG 3.31Å; Y758-L761 PolarHBondContact O-N 3.15Å; D759-L761 PolarHBondContact O-N 3.22Å; L761-W764 HydrophobicContact CD2-CE3 4.49Å; L761-L771 HydrophobicContact CD1-CD2 3.99Å; L761-A772 HydrophobicContact CB-CB 3.96Å
762	N	66.9	Low	59.3	Low	84 Å²	84	109 Å²	109	45%	0.449	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-68	-36.7	173.8	-74.1	-69.4	0	0	0	112.5	D759 Y760 W764 G765	D759-N762 WeakPolarHBondContact O-CB 3.45Å; D759-N762 PolarHBondContact O-N 2.88Å; D759-N762 PolarHBondContact O-ND2 2.97Å; D759-N762 VanDerWaalsContact O-ND2 3.12Å; Y760-N762 PolarHBondContact O-N 2.86Å; N762-W764 PolarHBondContact O-N 2.84Å; N762-G765 PolarHBondContact O-N 3.31Å
763	D	71.8	Confident	61	Low	147 Å²	147	108 Å²	108	79%	0.786	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-17.8	-178.1	-71.4	-29.5	0	0	0	113	Y760 G765	Y760-D763 PolarHBondContact O-N 2.94Å; D763-G765 PolarHBondContact O-N 2.86Å
764	W	69.3	Low	62.2	Low	155 Å²	155	108 Å²	108	59%	0.587	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-2	-176.1	-66.3	26.2	0	0	0	112.5	Y760 L761 N762 F768	Y760-W764 HydrophobicContact CD2-CZ2 4.02Å; Y760-W764 AromaticContact CD2-NE1 3.88Å; Y760-W764 HydrophobicContact CE2-CH2 4.48Å; Y760-W764 AromaticContact CE2-CZ2 3.93Å; Y760-W764 HydrophobicContact CE2-CZ2 3.93Å; Y760-W764 PolarHBondContact O-NE1 3.4Å; L761-W764 HydrophobicContact CD2-CE3 4.49Å; N762-W764 PolarHBondContact O-N 2.84Å; W764-F768 HydrophobicContact CB-CB 4.26Å; W764-F768 HydrophobicContact CB-CD2 3.68Å; W764-F768 HydrophobicContact CB-CE2 4.28Å; W764-F768 HydrophobicContact CB-CG 4.07Å; W764-F768 VanDerWaalsContact O-CD2 3.32Å; W764-F768 WeakPolarHBondContact O-CD2 3.17Å
765	G	64.4	Low	63.3	Low	26 Å²	26	111.6 Å²	111.6	27%	0.268	54%	0.536	S	S	.	.			trans	96.1	175	168.8	0	0	0	0	0	114.6	N762 D763 R767 F768	N762-G765 PolarHBondContact O-N 3.31Å; D763-G765 PolarHBondContact O-N 2.86Å; G765-R767 PolarHBondContact O-N 2.77Å; G765-F768 PolarHBondContact O-N 2.83Å
766	P	69.4	Low	63.8	Low	128 Å²	128	105 Å²	105	83%	0.831	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-12	-161	24.1	-35.3	0	0	0	115.6
767	R	61	Low	64.1	Low	231 Å²	231	102.2 Å²	102.2	87%	0.872	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-27.2	173.7	-66.4	-171.7	-70.9	-146.5	-0.2	113.1	G765	G765-R767 PolarHBondContact O-N 2.77Å
768	F	62.1	Low	63.6	Low	80 Å²	80	99.3 Å²	99.3	35%	0.351	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-10.1	179.5	-60.4	-81.1	0	0	0	113.1	W764 G765 K770 L771 A772	W764-F768 HydrophobicContact CB-CB 4.26Å; W764-F768 HydrophobicContact CB-CD2 3.68Å; W764-F768 HydrophobicContact CB-CE2 4.28Å; W764-F768 HydrophobicContact CB-CG 4.07Å; W764-F768 VanDerWaalsContact O-CD2 3.32Å; W764-F768 WeakPolarHBondContact O-CD2 3.17Å; G765-F768 PolarHBondContact O-N 2.83Å; F768-K770 VanDerWaalsContact C-N 3.26Å; F768-K770 PolarHBondContact O-N 2.86Å; F768-L771 WeakPolarHBondContact O-CA 3.25Å; F768-L771 VanDerWaalsContact O-CB 3.28Å; F768-L771 WeakPolarHBondContact O-CB 3.35Å; F768-L771 PolarHBondContact O-N 3.38Å; F768-A772 PolarHBondContact O-N 2.83Å
769	K	64.6	Low	63.1	Low	115 Å²	115	104.9 Å²	104.9	50%	0.5	55%	0.546	S	S	.	.	H	α-helix	trans	-49.8	-45	178.3	174.1	158.3	-176	159.1	0	112.7	L771 A772 D773	K769-L771 PolarHBondContact O-N 3.28Å; K769-A772 PolarHBondContact O-N 2.54Å; K769-A772 VanDerWaalsContact O-N 3.15Å; K769-D773 WeakPolarHBondContact CE-OD1 3.13Å; K769-D773 WeakPolarHBondContact CE-OD2 3.29Å; K769-D773 WeakPolarHBondContact CG-OD2 3.18Å; K769-D773 WeakPolarHBondContact O-CB 3.27Å; K769-D773 PolarHBondContact O-N 3.06Å
770	K	67.4	Low	62.2	Low	180 Å²	180	107.7 Å²	107.7	78%	0.783	56%	0.561	S	S	*	*	H	α-helix	trans	-67.1	-6.4	179.9	-141.5	-170.9	-175.2	-169.8	0	114.9	F768	F768-K770 VanDerWaalsContact C-N 3.26Å; F768-K770 PolarHBondContact O-N 2.86Å
771	L	63.6	Low	60.7	Low	82 Å²	82	114.1 Å²	114.1	43%	0.429	60%	0.603	S	S	.	*	H	α-helix	trans	-106	-36.9	177.9	-146.5	148.3	0	0	0	109.6	L761 F768 K769 L774 Y775	L761-L771 HydrophobicContact CD1-CD2 3.99Å; F768-L771 WeakPolarHBondContact O-CA 3.25Å; F768-L771 VanDerWaalsContact O-CB 3.28Å; F768-L771 WeakPolarHBondContact O-CB 3.35Å; F768-L771 PolarHBondContact O-N 3.38Å; K769-L771 PolarHBondContact O-N 3.28Å; L771-L774 PolarHBondContact O-N 3.12Å; L771-Y775 HydrophobicContact CD2-CD2 3.8Å; L771-Y775 HydrophobicContact CD2-CE2 4Å; L771-Y775 HydrophobicContact CG-CD2 4.47Å; L771-Y775 WeakPolarHBondContact O-CD2 3.41Å; L771-Y775 PolarHBondContact O-N 3.33Å
772	A	69.6	Low	60.4	Low	4 Å²	4	118.9 Å²	118.9	3%	0.033	63%	0.628	C	S	.	*	H	α-helix	trans	-59.1	-47.5	163.2	0	0	0	0	0	111.4	L761 F768 K769 L774 Y775 G776	L761-A772 HydrophobicContact CB-CB 3.96Å; F768-A772 PolarHBondContact O-N 2.83Å; K769-A772 PolarHBondContact O-N 2.54Å; K769-A772 VanDerWaalsContact O-N 3.15Å; A772-L774 PolarHBondContact O-N 3.14Å; A772-Y775 PolarHBondContact O-N 3.5Å; A772-G776 WeakPolarHBondContact O-CA 3.33Å; A772-G776 PolarHBondContact O-N 3.38Å
773	D	68.6	Low	60.1	Low	98 Å²	98	120.7 Å²	120.7	52%	0.524	64%	0.638	S	S	.	*	H	α-helix	trans	-59.5	-7.9	174.1	-61.2	-28.2	0	0	0	113.6	K769	K769-D773 WeakPolarHBondContact CE-OD1 3.13Å; K769-D773 WeakPolarHBondContact CE-OD2 3.29Å; K769-D773 WeakPolarHBondContact CG-OD2 3.18Å; K769-D773 WeakPolarHBondContact O-CB 3.27Å; K769-D773 PolarHBondContact O-N 3.06Å
774	L	65.4	Low	59.4	Low	126 Å²	126	119.3 Å²	119.3	66%	0.66	63%	0.629	S	S	*	*	H	α-helix	trans	-110.4	-21.5	-178.4	-159.1	77.4	0	0	0	113.6	L771 A772	L771-L774 PolarHBondContact O-N 3.12Å; A772-L774 PolarHBondContact O-N 3.14Å
775	Y	62.3	Low	58.8	Low	136 Å²	136	117.2 Å²	117.2	53%	0.533	63%	0.632	S	S	.	*	H	α-helix	trans	-127.8	-22	-174.2	-70.9	-76.2	0	0	0	114.2	L771 A772 G777	L771-Y775 HydrophobicContact CD2-CD2 3.8Å; L771-Y775 HydrophobicContact CD2-CE2 4Å; L771-Y775 HydrophobicContact CG-CD2 4.47Å; L771-Y775 WeakPolarHBondContact O-CD2 3.41Å; L771-Y775 PolarHBondContact O-N 3.33Å; A772-Y775 PolarHBondContact O-N 3.5Å; Y775-G777 PolarHBondContact O-N 2.87Å
776	G	58	Low	58.5	Low	22 Å²	22	122.9 Å²	122.9	23%	0.227	65%	0.654	C	S	.	*	S	Bend	trans	-80.4	109.9	163.5	0	0	0	0	0	109	A772 G778	A772-G776 WeakPolarHBondContact O-CA 3.33Å; A772-G776 PolarHBondContact O-N 3.38Å; G776-G778 PolarHBondContact O-N 3.04Å
777	G	52.3	Low	57.8	Low	80 Å²	80	122.5 Å²	122.5	83%	0.825	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-67.8	124.3	178.5	0	0	0	0	0	111	Y775	Y775-G777 PolarHBondContact O-N 2.87Å
778	G	42	Very low	57.5	Low	76 Å²	76	114.8 Å²	114.8	78%	0.784	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-73.7	137.7	172.6	0	0	0	0	0	111.7	G776 D780	G776-G778 PolarHBondContact O-N 3.04Å; G778-D780 PolarHBondContact O-N 2.82Å
779	E	48.8	Very low	57.2	Low	193 Å²	193	117.5 Å²	117.5	90%	0.902	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-67.6	116.3	163.3	-62.9	-177.9	124.1	0	0	109.7
780	D	44.5	Very low	56.6	Low	167 Å²	167	117.7 Å²	117.7	89%	0.893	66%	0.66	S	S	*	*			trans	-170.7	127.2	151.1	-98.9	-29.4	0	0	0	109	G778	G778-D780 PolarHBondContact O-N 2.82Å
781	D	36.4	Very low	55.6	Low	248 Å²	248	112 Å²	112	100%	1.326	65%	0.649	S	S	*	*			trans	61.1	0	-176	-74.3	-22.8	0	0	0	118.9

Retrieved 781 of 781 residues in 971.1 ms (Link to these results)

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