A0A5K4F534_SCHMA Loading...

Iron-sulfur cluster assembly 1 homolog, mitochondrial

AlphaFold DB , UniProt , Accession A0A5K4F534, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 168 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	40.6	Very low	240 Å²	240	136.8 Å²	136.8	100%	1.182	73%	0.729	S	S	*	*				0	108.1	0	-75.8	136	125.6	0	0	107.7
2	N	34.7	Very low	40.7	Very low	159 Å²	159	131.9 Å²	131.9	85%	0.85	71%	0.708	S	S	*	*			trans	-78.9	122.1	-171.6	-77.5	-33.9	0	0	0	110.8	V4	N2-V4 PolarHBondContact O-N 3.16Å; N2-V4 VanDerWaalsContact O-N 3.16Å
3	L	39.4	Very low	41.6	Very low	163 Å²	163	142.1 Å²	142.1	85%	0.853	73%	0.73	S	S	*	*			trans	-76.8	97.1	179.9	-148.8	83	0	0	0	109.1	K5	L3-K5 PolarHBondContact O-N 3.43Å
4	V	39.9	Very low	41.9	Very low	140 Å²	140	136.7 Å²	136.7	85%	0.848	71%	0.712	S	S	*	*			trans	-76.5	109.3	178.5	-140.1	0	0	0	0	108.5	N2 S6	N2-V4 PolarHBondContact O-N 3.16Å; N2-V4 VanDerWaalsContact O-N 3.16Å; V4-S6 PolarHBondContact O-N 3.39Å
5	K	39	Very low	42.5	Very low	147 Å²	147	140.3 Å²	140.3	64%	0.639	72%	0.719	S	S	*	*			trans	-71.5	118.9	178.9	-62.5	-173	175.7	-151.1	0	109.8	L3 L7 D23	L3-K5 PolarHBondContact O-N 3.43Å; K5-L7 PolarHBondContact O-N 3.28Å; K5-D23 IonicContact NZ-OD1 3.37Å; K5-D23 PolarHBondContact NZ-OD1 3.12Å; K5-D23 VanDerWaalsContact NZ-OD1 3.12Å
6	S	41	Very low	42.3	Very low	98 Å²	98	135.5 Å²	135.5	69%	0.685	69%	0.692	S	S	*	*			trans	-82.5	107.4	177.1	176.1	0	0	0	0	110.5	V4	V4-S6 PolarHBondContact O-N 3.39Å
7	L	39.6	Very low	42.3	Very low	102 Å²	102	133.6 Å²	133.6	53%	0.534	68%	0.683	S	S	.	*			trans	-83.2	112.3	176.8	-165.6	71.6	0	0	0	109.7	K5 Y19 I21	K5-L7 PolarHBondContact O-N 3.28Å; L7-Y19 HydrophobicContact CD1-CD1 3.8Å; L7-Y19 HydrophobicContact CD1-CE1 4.41Å; L7-Y19 HydrophobicContact CD1-CG 4.49Å; L7-Y19 HydrophobicContact CD2-CD1 3.79Å; L7-Y19 HydrophobicContact CD2-CE1 3.52Å; L7-Y19 HydrophobicContact CG-CD1 3.56Å; L7-Y19 HydrophobicContact CG-CE1 3.79Å; L7-I21 HydrophobicContact CD1-CG1 4.11Å
8	K	42.4	Very low	42.4	Very low	151 Å²	151	129.4 Å²	129.4	66%	0.657	66%	0.66	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.8	123	173.6	-77.4	-177.6	-179.4	173	0	111.1
9	L	43.3	Very low	42.8	Very low	105 Å²	105	127.4 Å²	127.4	55%	0.55	64%	0.644	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.5	121.7	174.8	-90.8	156.5	0	0	0	110	L17 Y19	L9-L17 HydrophobicContact CD2-CD2 3.12Å; L9-Y19 HydrophobicContact CB-CE1 4.44Å; L9-Y19 HydrophobicContact CD1-CE1 4.01Å; L9-Y19 HydrophobicContact CD2-CD1 3.98Å; L9-Y19 HydrophobicContact CD2-CD2 4.43Å; L9-Y19 HydrophobicContact CD2-CE1 3.25Å; L9-Y19 HydrophobicContact CD2-CE2 3.72Å; L9-Y19 WeakPolarHBondContact CD2-OH 3.18Å; L9-Y19 HydrophobicContact CG-CD1 3.95Å; L9-Y19 HydrophobicContact CG-CE1 3.25Å
10	V	46.8	Very low	42.9	Very low	74 Å²	74	124.5 Å²	124.5	45%	0.448	63%	0.63	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.3	113.9	168.9	-173.9	0	0	0	0	108.5	H18	V10-H18 PolarHBondContact N-O 3.2Å
11	T	45.6	Very low	43.1	Very low	126 Å²	126	121.9 Å²	121.9	77%	0.773	62%	0.617	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.2	125.8	172.6	-168.4	0	0	0	0	108.8
12	T	41.9	Very low	43.5	Very low	78 Å²	78	118.9 Å²	118.9	48%	0.479	60%	0.6	S	S	.	*			trans	-116.5	161.7	172.4	-179.3	0	0	0	0	109	S14	T12-S14 PolarHBondContact O-N 2.93Å
13	R	52.6	Low	43.9	Very low	264 Å²	264	115.8 Å²	115.8	100%	0.996	58%	0.584	S	S	*	*	S	Bend	trans	-62.8	-1.1	179.2	-81.1	-174.7	165.4	-171.2	-3.6	114.5
14	S	44.9	Very low	44.2	Very low	67 Å²	67	116 Å²	116	47%	0.469	59%	0.585	S	S	.	*	S	Bend	trans	-97.8	142.3	172.5	-165.9	0	0	0	0	109.9	T12 F16	T12-S14 PolarHBondContact O-N 2.93Å; S14-F16 PolarHBondContact O-N 3.37Å
15	K	50.7	Low	44.5	Very low	190 Å²	190	116.8 Å²	116.8	83%	0.826	58%	0.584	S	S	*	*	S	Bend	trans	-65.5	41.4	-175.3	-71.1	-173.9	176.2	-178	0	114.8
16	F	39.7	Very low	44.8	Very low	64 Å²	64	114.9 Å²	114.9	28%	0.281	59%	0.585	S	S	.	*			trans	-133.4	121.6	178.9	-64.9	-80.1	0	0	0	109	S14 H18 R33	S14-F16 PolarHBondContact O-N 3.37Å; F16-H18 PolarHBondContact O-CD2 2.69Å; F16-R33 VanDerWaalsContact CZ-NH2 3.28Å
17	L	43	Very low	44.6	Very low	103 Å²	103	114.4 Å²	114.4	54%	0.539	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.8	121	169.2	-102.6	147.2	0	0	0	108.5	L9 Y19	L9-L17 HydrophobicContact CD2-CD2 3.12Å; L17-Y19 HydrophobicContact CB-CE2 4.49Å; L17-Y19 HydrophobicContact CD2-CE2 4.19Å
18	H	43.6	Very low	44.5	Very low	59 Å²	59	117 Å²	117	27%	0.273	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.1	131.1	175.3	-70.2	-101	0	0	0	108.9	V10 F16	V10-H18 PolarHBondContact N-O 3.2Å; F16-H18 PolarHBondContact O-CD2 2.69Å
19	Y	49.6	Very low	44.3	Very low	91 Å²	91	115.4 Å²	115.4	36%	0.357	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.1	133.2	170.4	-73.1	-93.6	0	0	0	108.9	L7 L9 L17	L7-Y19 HydrophobicContact CD1-CD1 3.8Å; L7-Y19 HydrophobicContact CD1-CE1 4.41Å; L7-Y19 HydrophobicContact CD1-CG 4.49Å; L7-Y19 HydrophobicContact CD2-CD1 3.79Å; L7-Y19 HydrophobicContact CD2-CE1 3.52Å; L7-Y19 HydrophobicContact CG-CD1 3.56Å; L7-Y19 HydrophobicContact CG-CE1 3.79Å; L9-Y19 HydrophobicContact CB-CE1 4.44Å; L9-Y19 HydrophobicContact CD1-CE1 4.01Å; L9-Y19 HydrophobicContact CD2-CD1 3.98Å; L9-Y19 HydrophobicContact CD2-CD2 4.43Å; L9-Y19 HydrophobicContact CD2-CE1 3.25Å; L9-Y19 HydrophobicContact CD2-CE2 3.72Å; L9-Y19 WeakPolarHBondContact CD2-OH 3.18Å; L9-Y19 HydrophobicContact CG-CD1 3.95Å; L9-Y19 HydrophobicContact CG-CE1 3.25Å; L17-Y19 HydrophobicContact CB-CE2 4.49Å; L17-Y19 HydrophobicContact CD2-CE2 4.19Å
20	L	46.1	Very low	44.3	Very low	69 Å²	69	113.9 Å²	113.9	36%	0.361	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.9	120.6	172.4	-64.2	172.2	0	0	0	107.7	T29	L20-T29 HydrophobicContact CD2-CG2 4.01Å
21	I	46.1	Very low	44.2	Very low	70 Å²	70	114.5 Å²	114.5	36%	0.359	60%	0.604	S	S	.	*			trans	-103.7	110	167.6	-57.8	174.8	0	0	0	105.8	L7 D23	L7-I21 HydrophobicContact CD1-CG1 4.11Å; I21-D23 PolarHBondContact O-N 2.93Å
22	E	43.5	Very low	44.3	Very low	177 Å²	177	114.8 Å²	114.8	83%	0.827	59%	0.592	S	S	*	*			trans	-86.3	89.9	175.9	-60.4	-165.2	147.1	0	0	108.7
23	D	44	Very low	44.1	Very low	94 Å²	94	119.1 Å²	119.1	50%	0.503	60%	0.6	S	S	.	*			trans	-82.8	115.2	169	-69.5	-54.5	0	0	0	108.4	K5 I21 L25	K5-D23 IonicContact NZ-OD1 3.37Å; K5-D23 PolarHBondContact NZ-OD1 3.12Å; K5-D23 VanDerWaalsContact NZ-OD1 3.12Å; I21-D23 PolarHBondContact O-N 2.93Å; D23-L25 PolarHBondContact O-N 3.3Å
24	N	46	Very low	43.7	Very low	166 Å²	166	114.3 Å²	114.3	89%	0.888	59%	0.586	S	S	*	*	S	Bend	trans	-78.1	30.6	-172.8	-147.1	-21	0	0	0	113.8
25	L	45.5	Very low	44	Very low	157 Å²	157	115.6 Å²	115.6	82%	0.822	60%	0.595	S	S	*	*	S	Bend	trans	-131.2	98	178	-64.9	175.7	0	0	0	107.7	D23	D23-L25 PolarHBondContact O-N 3.3Å
26	V	45.8	Very low	43.7	Very low	107 Å²	107	112 Å²	112	65%	0.648	59%	0.589	S	S	*	*	S	Bend	trans	72.3	100.7	-176	-172.8	0	0	0	0	111.7	K28	V26-K28 VanDerWaalsContact C-N 3.25Å; V26-K28 HydrophobicContact CG1-CD 4.05Å; V26-K28 HydrophobicContact CG1-CG 4.17Å; V26-K28 PolarHBondContact O-N 3.21Å
27	G	36.2	Very low	44.3	Very low	88 Å²	88	119 Å²	119	91%	0.907	61%	0.614	S	S	*	*			trans	-53.6	73.6	-176.8	0	0	0	0	0	115.7
28	K	37.8	Very low	44.5	Very low	157 Å²	157	120.4 Å²	120.4	68%	0.683	63%	0.629	S	S	*	*			trans	-121.2	98.1	178.8	-74.2	177.4	179.1	178.6	0	108.6	V26 T30	V26-K28 VanDerWaalsContact C-N 3.25Å; V26-K28 HydrophobicContact CG1-CD 4.05Å; V26-K28 HydrophobicContact CG1-CG 4.17Å; V26-K28 PolarHBondContact O-N 3.21Å; K28-T30 PolarHBondContact O-N 3.44Å
29	T	36.8	Very low	44.9	Very low	117 Å²	117	121.6 Å²	121.6	72%	0.718	66%	0.658	S	S	*	*			trans	-64.8	110.8	170.2	-50.3	0	0	0	0	109.5	L20	L20-T29 HydrophobicContact CD2-CG2 4.01Å
30	T	43.7	Very low	44.6	Very low	73 Å²	73	121.7 Å²	121.7	45%	0.448	67%	0.671	S	S	.	*			trans	-103.2	117.4	175.4	-60.4	0	0	0	0	109.8	K28 Y32	K28-T30 PolarHBondContact O-N 3.44Å; T30-Y32 HydrophobicContact CG2-CD2 4.2Å; T30-Y32 HydrophobicContact CG2-CE1 4.5Å; T30-Y32 HydrophobicContact CG2-CE2 3.63Å
31	V	44.5	Very low	44.6	Very low	87 Å²	87	125.7 Å²	125.7	53%	0.527	69%	0.692	S	S	.	*			trans	-95.4	114.8	179.1	-178.2	0	0	0	0	109.4
32	Y	47.4	Very low	44.9	Very low	133 Å²	133	126.9 Å²	126.9	52%	0.522	71%	0.706	S	S	.	*			trans	-90.7	132.6	172.3	-68.6	-87.1	0	0	0	110.7	T30	T30-Y32 HydrophobicContact CG2-CD2 4.2Å; T30-Y32 HydrophobicContact CG2-CE1 4.5Å; T30-Y32 HydrophobicContact CG2-CE2 3.63Å
33	R	39.5	Very low	45	Very low	169 Å²	169	124.9 Å²	124.9	64%	0.638	70%	0.701	S	S	*	*			trans	-117.2	119.9	-179.5	-165.9	-178.1	-171.6	111.4	5.4	109.7	F16	F16-R33 VanDerWaalsContact CZ-NH2 3.28Å
34	F	44	Very low	45.2	Very low	163 Å²	163	124.8 Å²	124.8	72%	0.715	71%	0.708	S	S	*	*			trans	-111.5	132.3	170.9	-67.6	-80.5	0	0	0	110.4
35	S	50.5	Low	45.6	Very low	93 Å²	93	122.5 Å²	122.5	65%	0.65	70%	0.7	S	S	*	*			trans	-87.6	124.3	174.7	169.2	0	0	0	0	109.4	R37	S35-R37 PolarHBondContact O-N 2.65Å
36	T	45.4	Very low	46	Very low	116 Å²	116	123.4 Å²	123.4	71%	0.712	70%	0.697	S	S	*	*			trans	-87.4	73.9	174.1	59.1	0	0	0	0	109.9
37	R	51.4	Low	46.1	Very low	209 Å²	209	124.1 Å²	124.1	79%	0.789	70%	0.702	S	S	*	*			trans	-116.2	120.4	160.3	-73.1	-169.8	-177.2	-167.8	1.4	108.7	S35 G39	S35-R37 PolarHBondContact O-N 2.65Å; R37-G39 PolarHBondContact O-N 3.2Å
38	P	47.7	Very low	47.1	Very low	134 Å²	134	126.1 Å²	126.1	87%	0.87	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	129.1	174.6	28	-31.1	0	0	0	108.8
39	G	50.9	Low	47.8	Very low	84 Å²	84	122.8 Å²	122.8	87%	0.866	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	107.3	7.9	164.8	0	0	0	0	0	118.6	R37	R37-G39 PolarHBondContact O-N 3.2Å
40	S	44.3	Very low	48.8	Very low	92 Å²	92	127.3 Å²	127.3	64%	0.643	70%	0.702	S	S	*	*			trans	-136	92.2	168.7	-165.8	0	0	0	0	111.2	S42	S40-S42 PolarHBondContact O-N 2.78Å; S40-S42 VanDerWaalsContact O-N 3.1Å; S40-S42 PolarHBondContact OG-OG 3.04Å
41	I	45.3	Very low	49.3	Very low	154 Å²	154	128.9 Å²	128.9	79%	0.79	71%	0.713	S	S	*	*			trans	-82.8	69.1	169.3	-45.4	170	0	0	0	106.7	N43	I41-N43 VanDerWaalsContact C-N 3.33Å; I41-N43 VanDerWaalsContact CG2-OD1 3.27Å; I41-N43 WeakPolarHBondContact CG2-OD1 3.27Å; I41-N43 PolarHBondContact O-N 3.43Å
42	S	52.5	Low	50	Low	95 Å²	95	133.9 Å²	133.9	66%	0.664	73%	0.728	S	S	*	*			trans	-74.1	95.1	166	-66.2	0	0	0	0	107.7	S40 S44	S40-S42 PolarHBondContact O-N 2.78Å; S40-S42 VanDerWaalsContact O-N 3.1Å; S40-S42 PolarHBondContact OG-OG 3.04Å; S42-S44 PolarHBondContact O-N 3.1Å
43	N	46.3	Very low	50.5	Low	135 Å²	135	132.8 Å²	132.8	72%	0.722	74%	0.737	S	S	*	*			trans	-67.8	69	165.8	-74.1	0.5	0	0	0	109.2	I41 V45	I41-N43 VanDerWaalsContact C-N 3.33Å; I41-N43 VanDerWaalsContact CG2-OD1 3.27Å; I41-N43 WeakPolarHBondContact CG2-OD1 3.27Å; I41-N43 PolarHBondContact O-N 3.43Å; N43-V45 PolarHBondContact O-N 2.78Å
44	S	48.6	Very low	51.5	Low	92 Å²	92	130.2 Å²	130.2	64%	0.643	75%	0.745	S	S	*	*			trans	-76.5	86.4	160.7	-170.5	0	0	0	0	106.1	S42 K46	S42-S44 PolarHBondContact O-N 3.1Å; S44-K46 PolarHBondContact O-N 3.02Å
45	V	53.7	Low	52.2	Low	118 Å²	118	127.1 Å²	127.1	72%	0.715	74%	0.744	S	S	*	*			trans	-64.7	82.5	161.3	-178.7	0	0	0	0	105.4	N43 T47	N43-V45 PolarHBondContact O-N 2.78Å; V45-T47 HydrophobicContact CG1-CG2 4.48Å; V45-T47 PolarHBondContact O-N 2.75Å
46	K	53.3	Low	52.4	Low	175 Å²	175	131 Å²	131	76%	0.761	76%	0.756	S	S	*	*			trans	-63.4	98	157.2	-72.3	-176.1	-179.2	-176.7	0	103.7	S44 T48	S44-K46 PolarHBondContact O-N 3.02Å; K46-T48 VanDerWaalsContact C-N 3.26Å; K46-T48 PolarHBondContact O-N 2.82Å
47	T	48.8	Very low	52.9	Low	123 Å²	123	130.4 Å²	130.4	76%	0.755	75%	0.752	S	S	*	*			trans	-47	103.5	161	37.9	0	0	0	0	105.5	V45 A49	V45-T47 HydrophobicContact CG1-CG2 4.48Å; V45-T47 PolarHBondContact O-N 2.75Å; T47-A49 VanDerWaalsContact C-N 3.29Å; T47-A49 PolarHBondContact O-N 2.79Å
48	T	57.3	Low	53.2	Low	130 Å²	130	122.8 Å²	122.8	80%	0.798	74%	0.738	S	S	*	*			trans	-55.6	106.8	169.8	-56.2	0	0	0	0	103.6	K46 R50	K46-T48 VanDerWaalsContact C-N 3.26Å; K46-T48 PolarHBondContact O-N 2.82Å; T48-R50 VanDerWaalsContact C-N 3.28Å; T48-R50 PolarHBondContact O-N 2.9Å
49	A	51	Low	53.8	Low	87 Å²	87	125.6 Å²	125.6	72%	0.719	74%	0.737	S	S	*	*			trans	-50	105.6	173.9	0	0	0	0	0	105.1	T47 P51	T47-A49 VanDerWaalsContact C-N 3.29Å; T47-A49 PolarHBondContact O-N 2.79Å; A49-P51 WeakPolarHBondContact O-CD 3.24Å
50	R	58.8	Low	54.7	Low	212 Å²	212	129.8 Å²	129.8	80%	0.8	73%	0.734	S	S	*	*			trans	-49.6	117.1	172.5	-172.8	175.7	-170.3	-108.9	3.7	103.5	T48 K52	T48-R50 VanDerWaalsContact C-N 3.28Å; T48-R50 PolarHBondContact O-N 2.9Å; R50-K52 VanDerWaalsContact C-N 3.34Å; R50-K52 PolarHBondContact O-N 2.97Å
51	P	54.1	Low	56.3	Low	105 Å²	105	127.4 Å²	127.4	68%	0.682	72%	0.72	S	S	*	*			trans	-57.4	110.2	-179.6	21.3	-29.7	0	0	0	104.8	A49 P53	A49-P51 WeakPolarHBondContact O-CD 3.24Å; P51-P53 VanDerWaalsContact O-CD 3.24Å; P51-P53 WeakPolarHBondContact O-CD 3.35Å
52	K	58.3	Low	58.2	Low	193 Å²	193	120.5 Å²	120.5	84%	0.839	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-56.7	116.6	170.4	-75.7	-178.5	178.5	179.5	0	103.2	R50 S54	R50-K52 VanDerWaalsContact C-N 3.34Å; R50-K52 PolarHBondContact O-N 2.97Å; K52-S54 PolarHBondContact O-N 2.77Å
53	P	58	Low	60.2	Low	110 Å²	110	116 Å²	116	71%	0.714	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-52.6	122.5	173.2	21.1	-29.4	0	0	0	105.4	P51 S55	P51-P53 VanDerWaalsContact O-CD 3.24Å; P51-P53 WeakPolarHBondContact O-CD 3.35Å; P53-S55 PolarHBondContact O-N 2.99Å
54	S	61.9	Low	62.5	Low	114 Å²	114	112.6 Å²	112.6	80%	0.797	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-46.8	116.7	-177.1	44.6	0	0	0	0	107.6	K52 L56	K52-S54 PolarHBondContact O-N 2.77Å; S54-L56 PolarHBondContact O-N 2.98Å
55	S	57.1	Low	64.8	Low	98 Å²	98	108.7 Å²	108.7	69%	0.685	61%	0.61	S	S	*	*			trans	-41.2	126.9	-178.4	-175	0	0	0	0	109.7	P53 V57	P53-S55 PolarHBondContact O-N 2.99Å; S55-V57 PolarHBondContact O-N 3.3Å
56	L	55.8	Low	66.9	Low	174 Å²	174	104.1 Å²	104.1	91%	0.911	58%	0.582	S	S	*	*			trans	-61.8	59.1	163.6	-65.2	165.6	0	0	0	109.3	S54 G58	S54-L56 PolarHBondContact O-N 2.98Å; L56-G58 PolarHBondContact O-N 3.34Å
57	V	55.2	Low	69	Low	105 Å²	105	104.9 Å²	104.9	64%	0.636	59%	0.585	S	S	*	*			trans	-70.6	80.6	154.8	-174.1	0	0	0	0	103.3	S55 K59	S55-V57 PolarHBondContact O-N 3.3Å; V57-K59 HydrophobicContact CG1-CG 4.31Å; V57-K59 PolarHBondContact O-N 3.13Å
58	G	58.5	Low	71.3	Confident	48 Å²	48	101.4 Å²	101.4	50%	0.495	57%	0.566	S	S	.	*			trans	-58.7	88.2	165.2	0	0	0	0	0	105.6	L56 H60	L56-G58 PolarHBondContact O-N 3.34Å; G58-H60 PolarHBondContact O-CD2 3.44Å; G58-H60 PolarHBondContact O-N 3.17Å
59	K	59.8	Low	73.2	Confident	193 Å²	193	95.2 Å²	95.2	84%	0.839	53%	0.528	S	S	*	.			trans	-65.5	82.8	155.5	-71.7	-175.1	177.8	-175.8	0	103.7	V57 A61	V57-K59 HydrophobicContact CG1-CG 4.31Å; V57-K59 PolarHBondContact O-N 3.13Å; K59-A61 PolarHBondContact O-N 3.26Å; K59-A61 VanDerWaalsContact O-N 3.15Å
60	H	69.9	Low	75.4	Confident	172 Å²	172	91.6 Å²	91.6	80%	0.796	50%	0.497	S	S	*	.			trans	-54.8	123.1	167.8	-72.2	-83.1	0	0	0	105.3	G58	G58-H60 PolarHBondContact O-CD2 3.44Å; G58-H60 PolarHBondContact O-N 3.17Å
61	A	78.6	Confident	77.2	Confident	43 Å²	43	84.3 Å²	84.3	36%	0.355	48%	0.482	S	S	.	.			trans	-52.9	142.5	173	0	0	0	0	0	107.6	K59 L63 V116	K59-A61 PolarHBondContact O-N 3.26Å; K59-A61 VanDerWaalsContact O-N 3.15Å; A61-L63 WeakPolarHBondContact CB-O 3.45Å; A61-L63 PolarHBondContact O-N 3.16Å; A61-L63 VanDerWaalsContact O-N 3.13Å; A61-V116 HydrophobicContact CB-CG1 4.37Å
62	P	85.9	Confident	79.3	Confident	9 Å²	9	82.4 Å²	82.4	6%	0.058	46%	0.461	C	S	.	.	S	Bend	trans	-54.9	-35.5	179.6	26.3	-38.4	0	0	0	110.5	E114 V116 I125 L133 L134 G135	P62-E114 WeakPolarHBondContact CD-OE1 3.37Å; P62-E114 VanDerWaalsContact CG-CD 3.49Å; P62-E114 HydrophobicContact CG-CG 4.19Å; P62-V116 HydrophobicContact CG-CG2 3.52Å; P62-I125 HydrophobicContact CB-CD1 4.1Å; P62-I125 HydrophobicContact CG-CD1 3.59Å; P62-L133 CarbonylContact O-C 3.56Å; P62-L134 HydrophobicContact CB-CD2 4.19Å; P62-L134 WeakPolarHBondContact O-CA 3.38Å; P62-G135 PolarHBondContact O-N 3.44Å
63	L	93.8	Very high	81.1	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139	179.3	179.6	76.6	0	0	0	110.1	A61 L65 I88 I123 I125 L133 T136 M138 F151	A61-L63 WeakPolarHBondContact CB-O 3.45Å; A61-L63 PolarHBondContact O-N 3.16Å; A61-L63 VanDerWaalsContact O-N 3.13Å; L63-L65 HydrophobicContact CD2-CD1 3.99Å; L63-L65 HydrophobicContact CG-CD1 4.24Å; L63-I88 HydrophobicContact CD2-CD1 3.49Å; L63-I88 VanDerWaalsContact CD2-CD1 3.49Å; L63-I123 HydrophobicContact CD2-CG2 4.13Å; L63-I125 HydrophobicContact CB-CD1 4.14Å; L63-L133 HydrophobicContact CD1-CD2 4.17Å; L63-T136 HydrophobicContact CD1-CG2 4.08Å; L63-T136 WeakPolarHBondContact CD1-O 3.35Å; L63-M138 HydrophobicContact CD1-CB 3.95Å; L63-M138 HydrophobicContact CD2-CB 4.37Å; L63-M138 HydrophobicContact CG-CB 4.43Å; L63-F151 HydrophobicContact CD1-CD1 4.45Å
64	T	94.7	Very high	82.9	Confident	63 Å²	63	70.5 Å²	70.5	39%	0.387	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	145.8	167.6	54.5	0	0	0	0	110.5	T136 E137 M138	T64-T136 PolarHBondContact N-O 2.83Å; T64-T136 VanDerWaalsContact N-O 3.08Å; T64-E137 CarbonylContact O-C 3.58Å; T64-E137 WeakPolarHBondContact O-CA 3.42Å; T64-M138 PolarHBondContact O-N 3.1Å
65	L	96.5	Very high	84.6	Confident	11 Å²	11	69.4 Å²	69.4	6%	0.058	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	136.4	178	-70.2	74.5	0	0	0	110.6	L63 A69 V70 Q118 V121 I123 M138	L63-L65 HydrophobicContact CD2-CD1 3.99Å; L63-L65 HydrophobicContact CG-CD1 4.24Å; L65-A69 HydrophobicContact CB-CB 4.38Å; L65-V70 HydrophobicContact CB-CG2 3.67Å; L65-V70 HydrophobicContact CD2-CG2 4.07Å; L65-Q118 PolarHBondContact O-NE2 2.79Å; L65-V121 HydrophobicContact CD2-CG1 4.44Å; L65-I123 HydrophobicContact CD1-CG1 4.29Å; L65-I123 HydrophobicContact CD2-CD1 4.36Å; L65-I123 HydrophobicContact CD2-CG1 4.21Å; L65-M138 WeakPolarHBondContact CA-O 3.36Å; L65-M138 HydrophobicContact CD1-CE 4.28Å; L65-M138 HydrophobicContact CD2-CE 3.31Å; L65-M138 HydrophobicContact CG-CB 4.48Å; L65-M138 HydrophobicContact CG-CE 3.49Å; L65-M138 VanDerWaalsContact CG-CE 3.49Å
66	T	97.4	Very high	86.4	Confident	21 Å²	21	66.1 Å²	66.1	13%	0.129	36%	0.357	C	S	.	.			trans	-69.1	162.4	166.8	67.2	0	0	0	0	110.8	S68 A69 V70 E137 M138 D139	T66-S68 VanDerWaalsContact C-N 3.28Å; T66-S68 PolarHBondContact O-N 3.2Å; T66-S68 PolarHBondContact OG1-OG 3.38Å; T66-A69 PolarHBondContact O-N 3.47Å; T66-A69 WeakPolarHBondContact OG1-CB 3.35Å; T66-A69 PolarHBondContact OG1-N 3.08Å; T66-A69 VanDerWaalsContact OG1-N 3.13Å; T66-V70 WeakPolarHBondContact O-CG2 3.31Å; T66-V70 PolarHBondContact O-N 3.26Å; T66-E137 HydrophobicContact CG2-CG 3.83Å; T66-E137 VanDerWaalsContact CG2-OE1 3.25Å; T66-E137 WeakPolarHBondContact CG2-OE1 3.42Å; T66-M138 PolarHBondContact N-O 3.44Å; T66-M138 PolarHBondContact OG1-O 3.47Å; T66-D139 WeakPolarHBondContact CB-OD1 3.49Å; T66-D139 HydrophobicContact CG2-CB 3.7Å; T66-D139 WeakPolarHBondContact CG2-OD1 3.47Å; T66-D139 WeakPolarHBondContact OG1-CA 3.46Å; T66-D139 PolarHBondContact OG1-OD1 3.06Å
67	K	96.8	Very high	88.3	Confident	191 Å²	191	59 Å²	59	83%	0.83	32%	0.32	S	S	*	.	H	α-helix	trans	-59.9	-38	176.5	-64.1	-179.2	-178.3	177.7	0	112.5	A71	K67-A71 WeakPolarHBondContact O-CB 3.47Å; K67-A71 PolarHBondContact O-N 2.92Å
68	S	97.2	Very high	90.2	Very high	51 Å²	51	61.1 Å²	61.1	36%	0.357	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-46.3	174.6	25.1	0	0	0	0	111.3	T66 A71 R72 D139	T66-S68 VanDerWaalsContact C-N 3.28Å; T66-S68 PolarHBondContact O-N 3.2Å; T66-S68 PolarHBondContact OG1-OG 3.38Å; S68-A71 PolarHBondContact O-N 3.44Å; S68-R72 PolarHBondContact O-N 3.26Å; S68-D139 PolarHBondContact OG-OD1 3.28Å
69	A	97.7	Very high	92	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.5	-44.9	177.1	0	0	0	0	0	112.5	L65 T66 R72 A73 M138 F149	L65-A69 HydrophobicContact CB-CB 4.38Å; T66-A69 PolarHBondContact O-N 3.47Å; T66-A69 WeakPolarHBondContact OG1-CB 3.35Å; T66-A69 PolarHBondContact OG1-N 3.08Å; T66-A69 VanDerWaalsContact OG1-N 3.13Å; A69-R72 PolarHBondContact O-N 3.13Å; A69-A73 VanDerWaalsContact O-CB 3.25Å; A69-A73 WeakPolarHBondContact O-CB 3.25Å; A69-A73 PolarHBondContact O-N 2.85Å; A69-M138 HydrophobicContact CB-CE 4.46Å; A69-M138 HydrophobicContact CB-CG 4.33Å; A69-M138 WeakPolarHBondContact CB-O 3.28Å; A69-F149 HydrophobicContact CB-CD1 4.49Å; A69-F149 HydrophobicContact CB-CE1 4.36Å
70	V	97.7	Very high	93.7	Very high	11 Å²	11	57.7 Å²	57.7	7%	0.067	30%	0.3	C	S	.	.	H	α-helix	trans	-57.6	-51.2	175.2	169.5	0	0	0	0	110.7	L65 T66 R72 A73 L74 D119 V121	L65-V70 HydrophobicContact CB-CG2 3.67Å; L65-V70 HydrophobicContact CD2-CG2 4.07Å; T66-V70 WeakPolarHBondContact O-CG2 3.31Å; T66-V70 PolarHBondContact O-N 3.26Å; V70-R72 VanDerWaalsContact C-N 3.32Å; V70-R72 PolarHBondContact O-N 3.18Å; V70-A73 PolarHBondContact O-N 3.37Å; V70-L74 HydrophobicContact CG1-CD1 3.97Å; V70-L74 HydrophobicContact CG1-CG 4.42Å; V70-L74 WeakPolarHBondContact O-CG 3.4Å; V70-L74 PolarHBondContact O-N 2.88Å; V70-D119 HydrophobicContact CG1-CB 3.53Å; V70-D119 HydrophobicContact CG2-CB 4.29Å; V70-V121 HydrophobicContact CG1-CG2 4.04Å
71	A	97.1	Very high	94.7	Very high	59 Å²	59	55 Å²	55	49%	0.488	30%	0.298	S	S	.	.	H	α-helix	trans	-58.8	-44.4	-178.5	0	0	0	0	0	111.7	K67 S68 Q75	K67-A71 WeakPolarHBondContact O-CB 3.47Å; K67-A71 PolarHBondContact O-N 2.92Å; S68-A71 PolarHBondContact O-N 3.44Å; A71-Q75 PolarHBondContact O-N 2.67Å; A71-Q75 VanDerWaalsContact O-N 3.08Å
72	R	97	Very high	95.5	Very high	64 Å²	64	61.6 Å²	61.6	24%	0.242	32%	0.319	C	S	.	.	H	α-helix	trans	-67.9	-42.9	177.3	-176.5	63.1	176.7	172.4	-3	112.3	S68 A69 V70 L74 Q75 L76 Y140 F149	S68-R72 PolarHBondContact O-N 3.26Å; A69-R72 PolarHBondContact O-N 3.13Å; V70-R72 VanDerWaalsContact C-N 3.32Å; V70-R72 PolarHBondContact O-N 3.18Å; R72-L74 VanDerWaalsContact C-N 3.33Å; R72-L74 PolarHBondContact O-N 3.03Å; R72-Q75 WeakPolarHBondContact O-CB 3.41Å; R72-Q75 PolarHBondContact O-N 3.41Å; R72-L76 HydrophobicContact CG-CD1 4.23Å; R72-L76 HydrophobicContact CG-CG 4.41Å; R72-L76 WeakPolarHBondContact O-CG 3.38Å; R72-L76 PolarHBondContact O-N 3.24Å; R72-Y140 HydrophobicContact CB-CD1 3.64Å; R72-Y140 HydrophobicContact CB-CD2 4.14Å; R72-Y140 HydrophobicContact CB-CE1 3.94Å; R72-Y140 HydrophobicContact CB-CE2 4.45Å; R72-Y140 HydrophobicContact CB-CG 3.73Å; R72-Y140 HydrophobicContact CG-CD1 3.81Å; R72-Y140 HydrophobicContact CG-CD2 3.76Å; R72-Y140 HydrophobicContact CG-CE1 3.65Å; R72-Y140 HydrophobicContact CG-CE2 3.64Å; R72-Y140 HydrophobicContact CG-CG 3.84Å; R72-Y140 PolarHBondContact NE-OH 3.41Å; R72-F149 HydrophobicContact CB-CE1 4.42Å; R72-F149 HydrophobicContact CB-CZ 4.16Å; R72-F149 HydrophobicContact CG-CE1 4.43Å; R72-F149 HydrophobicContact CG-CE2 4.34Å; R72-F149 HydrophobicContact CG-CZ 3.76Å
73	A	97.2	Very high	96	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.3	-43.7	177.9	0	0	0	0	0	111.3	A69 V70 Q75 L76 L77 L86 V121	A69-A73 VanDerWaalsContact O-CB 3.25Å; A69-A73 WeakPolarHBondContact O-CB 3.25Å; A69-A73 PolarHBondContact O-N 2.85Å; V70-A73 PolarHBondContact O-N 3.37Å; A73-Q75 PolarHBondContact O-N 2.61Å; A73-L76 PolarHBondContact O-N 3.5Å; A73-L77 VanDerWaalsContact O-CG 3.31Å; A73-L77 WeakPolarHBondContact O-CG 3.44Å; A73-L77 PolarHBondContact O-N 2.95Å; A73-L86 HydrophobicContact CB-CD1 3.76Å; A73-V121 HydrophobicContact CB-CG1 3.83Å; A73-V121 HydrophobicContact CB-CG2 4.12Å
74	L	96.3	Very high	96.1	Very high	53 Å²	53	64.8 Å²	64.8	28%	0.277	34%	0.34	S	S	.	.	H	α-helix	trans	-59.2	-45.5	173.4	-72.3	173	0	0	0	111.7	V70 R72 L76 L77 Q78 V121	V70-L74 HydrophobicContact CG1-CD1 3.97Å; V70-L74 HydrophobicContact CG1-CG 4.42Å; V70-L74 WeakPolarHBondContact O-CG 3.4Å; V70-L74 PolarHBondContact O-N 2.88Å; R72-L74 VanDerWaalsContact C-N 3.33Å; R72-L74 PolarHBondContact O-N 3.03Å; L74-L76 VanDerWaalsContact C-N 3.34Å; L74-L76 PolarHBondContact O-N 2.95Å; L74-L77 PolarHBondContact O-N 3.4Å; L74-Q78 VanDerWaalsContact O-CG 3.28Å; L74-Q78 WeakPolarHBondContact O-CG 3.25Å; L74-Q78 PolarHBondContact O-N 2.9Å; L74-V121 HydrophobicContact CD1-CG2 4.39Å; L74-V121 HydrophobicContact CD2-CG2 3.54Å; L74-V121 HydrophobicContact CG-CG2 3.52Å
75	Q	96	Very high	96.1	Very high	91 Å²	91	61.8 Å²	61.8	43%	0.425	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-42.5	176.9	-170.3	-174.5	13.2	0	0	112	A71 R72 A73 L77 Q78 M79	A71-Q75 PolarHBondContact O-N 2.67Å; A71-Q75 VanDerWaalsContact O-N 3.08Å; R72-Q75 WeakPolarHBondContact O-CB 3.41Å; R72-Q75 PolarHBondContact O-N 3.41Å; A73-Q75 PolarHBondContact O-N 2.61Å; Q75-L77 VanDerWaalsContact C-N 3.35Å; Q75-Q78 PolarHBondContact O-N 2.92Å; Q75-M79 WeakPolarHBondContact O-CG 3.22Å; Q75-M79 PolarHBondContact O-N 3.02Å; Q75-M79 VanDerWaalsContact O-N 3.16Å
76	L	95.9	Very high	96.2	Very high	29 Å²	29	61.5 Å²	61.5	15%	0.152	32%	0.32	C	S	.	.	H	α-helix	trans	-63.8	-39.3	177.2	-70.6	173.7	0	0	0	112.3	R72 A73 L74 M79 N80 F104 F149	R72-L76 HydrophobicContact CG-CD1 4.23Å; R72-L76 HydrophobicContact CG-CG 4.41Å; R72-L76 WeakPolarHBondContact O-CG 3.38Å; R72-L76 PolarHBondContact O-N 3.24Å; A73-L76 PolarHBondContact O-N 3.5Å; L74-L76 VanDerWaalsContact C-N 3.34Å; L74-L76 PolarHBondContact O-N 2.95Å; L76-M79 HydrophobicContact CD2-CE 3.64Å; L76-M79 HydrophobicContact CG-CE 4.49Å; L76-M79 PolarHBondContact O-N 3.1Å; L76-N80 PolarHBondContact O-N 2.9Å; L76-N80 PolarHBondContact O-ND2 2.82Å; L76-N80 VanDerWaalsContact O-ND2 3.13Å; L76-F104 HydrophobicContact CB-CE1 4.03Å; L76-F104 HydrophobicContact CB-CZ 4.05Å; L76-F149 HydrophobicContact CD1-CE2 3.64Å; L76-F149 HydrophobicContact CD1-CZ 3.78Å
77	L	95.6	Very high	96.1	Very high	26 Å²	26	62.2 Å²	62.2	14%	0.136	32%	0.32	C	S	.	.	H	α-helix	trans	-71.4	-35.1	177	-69	172.4	0	0	0	112.2	A73 L74 Q75 M79 N80 A83 L86 F104 V121	A73-L77 VanDerWaalsContact O-CG 3.31Å; A73-L77 WeakPolarHBondContact O-CG 3.44Å; A73-L77 PolarHBondContact O-N 2.95Å; L74-L77 PolarHBondContact O-N 3.4Å; Q75-L77 VanDerWaalsContact C-N 3.35Å; L77-M79 VanDerWaalsContact C-N 3.3Å; L77-M79 PolarHBondContact O-N 2.72Å; L77-N80 CarbonylContact O-C 3.1Å; L77-N80 PolarHBondContact O-N 3.33Å; L77-N80 VanDerWaalsContact O-N 3.09Å; L77-A83 HydrophobicContact CD2-CB 3.97Å; L77-L86 HydrophobicContact CD2-CD2 4.31Å; L77-L86 HydrophobicContact CD2-CG 4.43Å; L77-F104 HydrophobicContact CD2-CD1 4.34Å; L77-V121 HydrophobicContact CD1-CG1 4.35Å
78	Q	95.5	Very high	96.1	Very high	148 Å²	148	53.1 Å²	53.1	69%	0.692	28%	0.281	S	S	*	.	H	α-helix	trans	-62.4	-37.4	172.9	-74.5	170.6	8.6	0	0	112.1	L74 Q75 N80	L74-Q78 VanDerWaalsContact O-CG 3.28Å; L74-Q78 WeakPolarHBondContact O-CG 3.25Å; L74-Q78 PolarHBondContact O-N 2.9Å; Q75-Q78 PolarHBondContact O-N 2.92Å; Q78-N80 VanDerWaalsContact C-N 3.25Å; Q78-N80 PolarHBondContact O-N 2.81Å
79	M	95.6	Very high	96.1	Very high	112 Å²	112	51 Å²	51	55%	0.552	27%	0.267	S	S	*	.	H	α-helix	trans	-71.3	-20.7	175	-67.7	-173.4	-64.5	0	0	113	Q75 L76 L77	Q75-M79 WeakPolarHBondContact O-CG 3.22Å; Q75-M79 PolarHBondContact O-N 3.02Å; Q75-M79 VanDerWaalsContact O-N 3.16Å; L76-M79 HydrophobicContact CD2-CE 3.64Å; L76-M79 HydrophobicContact CG-CE 4.49Å; L76-M79 PolarHBondContact O-N 3.1Å; L77-M79 VanDerWaalsContact C-N 3.3Å; L77-M79 PolarHBondContact O-N 2.72Å
80	N	94.9	Very high	96	Very high	58 Å²	58	51.6 Å²	51.6	31%	0.31	27%	0.271	S	S	.	.			trans	-127.5	71.4	-178	-66.6	-81	0	0	0	110.7	L76 L77 Q78 K82 A83 F104	L76-N80 PolarHBondContact O-N 2.9Å; L76-N80 PolarHBondContact O-ND2 2.82Å; L76-N80 VanDerWaalsContact O-ND2 3.13Å; L77-N80 CarbonylContact O-C 3.1Å; L77-N80 PolarHBondContact O-N 3.33Å; L77-N80 VanDerWaalsContact O-N 3.09Å; Q78-N80 VanDerWaalsContact C-N 3.25Å; Q78-N80 PolarHBondContact O-N 2.81Å; N80-K82 PolarHBondContact O-N 2.81Å; N80-A83 HydrophobicContact CB-CB 4.34Å; N80-A83 WeakPolarHBondContact O-CB 3.42Å; N80-A83 PolarHBondContact O-N 3.15Å; N80-F104 HydrophobicContact CB-CD1 4.25Å; N80-F104 HydrophobicContact CB-CE1 4.08Å; N80-F104 HydrophobicContact CB-CZ 4.44Å; N80-F104 VanDerWaalsContact ND2-CZ 3.28Å; N80-F104 WeakPolarHBondContact ND2-CZ 3.38Å
81	P	92.3	Very high	95.8	Very high	116 Å²	116	57.9 Å²	57.9	75%	0.753	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.1	-171.9	26.5	-36.2	0	0	0	114.5	A83	P81-A83 VanDerWaalsContact C-N 3.31Å
82	K	95.2	Very high	95.7	Very high	181 Å²	181	60.5 Å²	60.5	79%	0.787	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-20.1	172.7	-64.2	-177.4	179.8	179.2	0	112.6	N80 F106	N80-K82 PolarHBondContact O-N 2.81Å; K82-F106 HydrophobicContact CB-CD1 3.99Å; K82-F106 HydrophobicContact CB-CE1 4.09Å
83	A	96	Very high	95.4	Very high	14 Å²	14	62.8 Å²	62.8	12%	0.116	31%	0.312	C	S	.	.			trans	-78.1	129.9	179.9	0	0	0	0	0	110.1	L77 N80 P81 G85 F104 C105 F106	L77-A83 HydrophobicContact CD2-CB 3.97Å; N80-A83 HydrophobicContact CB-CB 4.34Å; N80-A83 WeakPolarHBondContact O-CB 3.42Å; N80-A83 PolarHBondContact O-N 3.15Å; P81-A83 VanDerWaalsContact C-N 3.31Å; A83-G85 VanDerWaalsContact C-N 3.31Å; A83-F104 HydrophobicContact CB-CB 4.14Å; A83-F104 HydrophobicContact CB-CD1 3.9Å; A83-F104 HydrophobicContact CB-CG 4.42Å; A83-C105 CarbonylContact C-O 3.6Å; A83-C105 WeakPolarHBondContact CA-O 3.47Å; A83-F106 HydrophobicContact CB-CD1 4.25Å; A83-F106 HydrophobicContact CB-CE1 3.99Å
84	T	94.7	Very high	95	Very high	61 Å²	61	66 Å²	66	37%	0.374	34%	0.344	S	S	.	.			trans	-78.8	-15.9	175	59.8	0	0	0	0	113.3	C105 G108	T84-C105 PolarHBondContact N-O 2.73Å; T84-C105 PolarHBondContact OG1-O 2.71Å; T84-G108 WeakPolarHBondContact OG1-CA 3.28Å; T84-G108 PolarHBondContact OG1-N 3.3Å
85	G	96.2	Very high	94.5	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.9	-169.4	-178	0	0	0	0	0	111.6	A83 C105 R122	A83-G85 VanDerWaalsContact C-N 3.31Å; G85-C105 PolarHBondContact O-N 2.84Å; G85-R122 CarbonylContact C-O 3.6Å; G85-R122 VanDerWaalsContact CA-O 3.22Å; G85-R122 WeakPolarHBondContact CA-O 3.28Å
86	L	97.3	Very high	94	Very high	6 Å²	6	72.8 Å²	72.8	3%	0.031	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	148.7	172.8	-59.8	174.3	0	0	0	109.8	A73 L77 D103 F104 R122 I123 F124	A73-L86 HydrophobicContact CB-CD1 3.76Å; L77-L86 HydrophobicContact CD2-CD2 4.31Å; L77-L86 HydrophobicContact CD2-CG 4.43Å; L86-D103 CarbonylContact C-O 3.57Å; L86-F104 HydrophobicContact CD2-CD1 3.66Å; L86-F104 HydrophobicContact CD2-CE1 3.78Å; L86-F104 HydrophobicContact CD2-CG 4.41Å; L86-R122 PolarHBondContact N-O 3.13Å; L86-I123 HydrophobicContact CB-CD1 3.79Å; L86-I123 HydrophobicContact CD1-CD1 4.15Å; L86-I123 HydrophobicContact CG-CD1 4.38Å; L86-I123 CarbonylContact O-C 3.57Å; L86-I123 WeakPolarHBondContact O-CA 3.29Å; L86-F124 PolarHBondContact O-N 2.9Å
87	R	96.7	Very high	93.8	Very high	36 Å²	36	72 Å²	72	14%	0.136	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	130	177	178.9	175.4	-71.8	-129.5	-8.7	110.1	L102 D103 C105 G108 Q110 D113 F124	R87-L102 WeakPolarHBondContact O-CA 3.37Å; R87-D103 PolarHBondContact N-O 2.75Å; R87-D103 PolarHBondContact O-N 3.45Å; R87-C105 HydrophobicContact CB-CB 4.18Å; R87-G108 PolarHBondContact NH2-O 2.81Å; R87-Q110 VanDerWaalsContact NH2-CD 3.27Å; R87-Q110 VanDerWaalsContact NH2-CG 3.26Å; R87-D113 IonicContact CZ-OD2 2.72Å; R87-D113 IonicContact NH1-OD2 3.03Å; R87-D113 IonicContact NH2-OD2 3.7Å; R87-D113 PolarHBondContact NH2-OD2 3.09Å; R87-F124 CarbonylContact C-O 3.55Å; R87-F124 WeakPolarHBondContact CA-O 3.2Å; R87-F124 HydrophobicContact CB-CB 4.37Å; R87-F124 HydrophobicContact CG-CB 4.47Å
88	I	97.1	Very high	93.8	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.3	174.6	-38.7	-157.5	0	0	0	109.4	L63 Y100 T101 L102 I123 F124 D126 L133 M138 F151	L63-I88 HydrophobicContact CD2-CD1 3.49Å; L63-I88 VanDerWaalsContact CD2-CD1 3.49Å; I88-Y100 HydrophobicContact CG2-CD1 4.45Å; I88-T101 CarbonylContact C-O 3.52Å; I88-T101 VanDerWaalsContact CA-O 3.27Å; I88-T101 WeakPolarHBondContact CA-O 3.16Å; I88-L102 HydrophobicContact CB-CD2 4.33Å; I88-L102 HydrophobicContact CD1-CD2 3.8Å; I88-L102 HydrophobicContact CG1-CD2 3.63Å; I88-L102 HydrophobicContact CG2-CD2 4.37Å; I88-I123 HydrophobicContact CD1-CG2 3.64Å; I88-I123 HydrophobicContact CG1-CG2 3.52Å; I88-F124 PolarHBondContact N-O 3.4Å; I88-D126 WeakPolarHBondContact O-CB 3.34Å; I88-D126 PolarHBondContact O-N 3.3Å; I88-L133 HydrophobicContact CB-CD1 4.06Å; I88-L133 HydrophobicContact CD1-CD1 4.38Å; I88-L133 HydrophobicContact CG2-CD1 3.83Å; I88-M138 HydrophobicContact CD1-SD 4.23Å; I88-F151 HydrophobicContact CD1-CE1 3.77Å; I88-F151 HydrophobicContact CD1-CZ 4.14Å; I88-F151 HydrophobicContact CG2-CE1 4.3Å; I88-F151 HydrophobicContact CG2-CZ 4.32Å
89	G	96.1	Very high	93.7	Very high	7 Å²	7	66.7 Å²	66.7	7%	0.072	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	178.2	173.7	0	0	0	0	0	111.8	Y100 T101	G89-Y100 CarbonylContact O-C 3.56Å; G89-Y100 WeakPolarHBondContact O-CA 3.34Å; G89-T101 PolarHBondContact N-O 2.79Å; G89-T101 PolarHBondContact O-N 2.95Å
90	V	95.5	Very high	93.7	Very high	12 Å²	12	62.6 Å²	62.6	7%	0.073	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138	169.8	-72.7	0	0	0	0	109.7	S99 Y100 R128 A129	V90-S99 CarbonylContact C-O 3.35Å; V90-S99 WeakPolarHBondContact CA-O 3.48Å; V90-Y100 HydrophobicContact CG1-CD1 3.69Å; V90-Y100 HydrophobicContact CG1-CE1 3.85Å; V90-R128 HydrophobicContact CG2-CB 3.68Å; V90-A129 HydrophobicContact CG1-CB 3.9Å; V90-A129 HydrophobicContact CG2-CB 4.37Å
91	R	94.6	Very high	93.7	Very high	142 Å²	142	61 Å²	61	54%	0.536	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150	174.8	-60.7	-170.9	-163.5	177.1	9.7	109.9	L98 S99 T101 D103	R91-L98 CarbonylContact O-C 3.59Å; R91-L98 WeakPolarHBondContact O-CA 3.49Å; R91-S99 PolarHBondContact N-O 2.9Å; R91-S99 PolarHBondContact O-N 2.97Å; R91-T101 HydrophobicContact CB-CG2 4.14Å; R91-T101 HydrophobicContact CG-CG2 3.58Å; R91-D103 IonicContact NH2-OD1 2.73Å; R91-D103 IonicContact NH2-OD2 3.71Å; R91-D103 PolarHBondContact NH2-OD2 2.83Å
92	T	93.7	Very high	93.9	Very high	114 Å²	114	58 Å²	58	70%	0.699	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	124.9	177	49.8	0	0	0	0	109.9	G97 L98	T92-G97 CarbonylContact C-O 3.53Å; T92-G97 WeakPolarHBondContact CA-O 3.22Å; T92-L98 HydrophobicContact CG2-CD2 4.24Å
93	R	91.7	Very high	93.9	Very high	113 Å²	113	52.6 Å²	52.6	43%	0.426	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	140.8	177	-179.5	176.4	-79.1	-158.6	4.5	109.2	G97 E164	R93-G97 PolarHBondContact N-O 2.91Å; R93-G97 CarbonylContact O-C 3.57Å; R93-G97 VanDerWaalsContact O-C 3.25Å; R93-G97 WeakPolarHBondContact O-CA 3.3Å; R93-G97 PolarHBondContact O-N 2.82Å; R93-G97 VanDerWaalsContact O-N 3.16Å; R93-E164 IonicContact CZ-OE2 3.7Å; R93-E164 IonicContact NH1-OE1 3.43Å; R93-E164 PolarHBondContact NH1-OE1 2.8Å; R93-E164 IonicContact NH1-OE2 2.69Å; R93-E164 PolarHBondContact NH1-OE2 3.49Å
94	G	88.3	Confident	94	Very high	66 Å²	66	55.3 Å²	55.3	68%	0.68	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	-166	-175.1	0	0	0	0	0	113.3
95	C	86.2	Confident	94.1	Very high	129 Å²	129	52.6 Å²	52.6	87%	0.872	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-41.6	-176.5	-61.4	0	0	0	0	113.2
96	N	85.6	Confident	94.1	Very high	159 Å²	159	58.4 Å²	58.4	85%	0.85	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.2	24.9	-177.4	-68.3	-57.1	0	0	0	112.5
97	G	91.9	Very high	93.9	Very high	11 Å²	11	65.6 Å²	65.6	11%	0.113	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	156.9	-174.6	0	0	0	0	0	113.8	T92 R93	T92-G97 CarbonylContact C-O 3.53Å; T92-G97 WeakPolarHBondContact CA-O 3.22Å; R93-G97 PolarHBondContact N-O 2.91Å; R93-G97 CarbonylContact O-C 3.57Å; R93-G97 VanDerWaalsContact O-C 3.25Å; R93-G97 WeakPolarHBondContact O-CA 3.3Å; R93-G97 PolarHBondContact O-N 2.82Å; R93-G97 VanDerWaalsContact O-N 3.16Å
98	L	93.9	Very high	93.7	Very high	42 Å²	42	64.3 Å²	64.3	22%	0.22	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	149.2	169.2	-62.1	175.1	0	0	0	109.8	R91 T92 T132 S165 F166 V168	R91-L98 CarbonylContact O-C 3.59Å; R91-L98 WeakPolarHBondContact O-CA 3.49Å; T92-L98 HydrophobicContact CG2-CD2 4.24Å; L98-T132 HydrophobicContact CD1-CG2 4.26Å; L98-S165 CarbonylContact O-C 3.52Å; L98-S165 WeakPolarHBondContact O-CA 3.3Å; L98-S165 WeakPolarHBondContact O-CB 3.45Å; L98-F166 HydrophobicContact CB-CD2 4.38Å; L98-F166 HydrophobicContact CB-CE1 4.33Å; L98-F166 HydrophobicContact CB-CE2 3.93Å; L98-F166 HydrophobicContact CB-CZ 3.89Å; L98-F166 HydrophobicContact CD1-CE2 4.43Å; L98-F166 PolarHBondContact N-O 2.69Å; L98-F166 WeakPolarHBondContact O-CD1 3.43Å; L98-F166 WeakPolarHBondContact O-CE1 3.46Å; L98-F166 PolarHBondContact O-N 3.17Å; L98-V168 HydrophobicContact CD1-CG2 4.5Å
99	S	94.5	Very high	93.5	Very high	22 Å²	22	72.6 Å²	72.6	15%	0.154	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.4	170.8	177.9	0	0	0	0	108.5	V90 R91	V90-S99 CarbonylContact C-O 3.35Å; V90-S99 WeakPolarHBondContact CA-O 3.48Å; R91-S99 PolarHBondContact N-O 2.9Å; R91-S99 PolarHBondContact O-N 2.97Å
100	Y	95.4	Very high	93.4	Very high	25 Å²	25	75.7 Å²	75.7	10%	0.098	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	149.9	169.4	-62.6	-61.7	0	0	0	110.4	I88 G89 V90 T132 L133 F151 N153 F166	I88-Y100 HydrophobicContact CG2-CD1 4.45Å; G89-Y100 CarbonylContact O-C 3.56Å; G89-Y100 WeakPolarHBondContact O-CA 3.34Å; V90-Y100 HydrophobicContact CG1-CD1 3.69Å; V90-Y100 HydrophobicContact CG1-CE1 3.85Å; Y100-T132 PolarHBondContact OH-O 3Å; Y100-T132 VanDerWaalsContact OH-O 3.1Å; Y100-L133 HydrophobicContact CD1-CD2 3.96Å; Y100-L133 HydrophobicContact CE1-CD2 3.47Å; Y100-L133 VanDerWaalsContact CE1-CD2 3.47Å; Y100-L133 HydrophobicContact CE1-CG 3.97Å; Y100-L133 HydrophobicContact CE2-CD2 4.44Å; Y100-F151 HydrophobicContact CD2-CB 3.51Å; Y100-F151 HydrophobicContact CD2-CD1 4.18Å; Y100-F151 AromaticContact CD2-CD2 3.66Å; Y100-F151 HydrophobicContact CD2-CD2 3.66Å; Y100-F151 HydrophobicContact CD2-CE2 4.42Å; Y100-F151 AromaticContact CD2-CG 3.51Å; Y100-F151 HydrophobicContact CD2-CG 3.51Å; Y100-F151 HydrophobicContact CE2-CB 3.54Å; Y100-F151 HydrophobicContact CE2-CD1 4.49Å; Y100-F151 AromaticContact CE2-CG 3.97Å; Y100-F151 HydrophobicContact CE2-CG 3.97Å; Y100-F151 HydrophobicContact CG-CD1 4.48Å; Y100-F151 HydrophobicContact CG-CD2 4.09Å; Y100-F151 HydrophobicContact CG-CE2 4.41Å; Y100-F151 HydrophobicContact CG-CG 4.12Å; Y100-N153 PolarHBondContact OH-ND2 2.95Å; Y100-F166 HydrophobicContact CD1-CE1 4.35Å; Y100-F166 HydrophobicContact CD1-CZ 4.08Å; Y100-F166 AromaticContact CD2-CE1 3.54Å; Y100-F166 HydrophobicContact CD2-CE1 3.54Å; Y100-F166 AromaticContact CD2-CZ 3.95Å; Y100-F166 HydrophobicContact CD2-CZ 3.95Å; Y100-F166 HydrophobicContact CE1-CE1 4.19Å; Y100-F166 HydrophobicContact CE1-CE2 4.49Å; Y100-F166 AromaticContact CE1-CZ 3.57Å; Y100-F166 HydrophobicContact CE1-CZ 3.57Å; Y100-F166 HydrophobicContact CE2-CD1 4.25Å; Y100-F166 AromaticContact CE2-CE1 3.36Å; Y100-F166 HydrophobicContact CE2-CE1 3.36Å; Y100-F166 HydrophobicContact CE2-CE2 4.37Å; Y100-F166 AromaticContact CE2-CZ 3.45Å; Y100-F166 HydrophobicContact CE2-CZ 3.45Å; Y100-F166 VanDerWaalsContact CE2-CZ 3.45Å; Y100-F166 HydrophobicContact CG-CE1 4.05Å; Y100-F166 HydrophobicContact CG-CZ 4.25Å; Y100-F166 AromaticContact CZ-CE1 3.71Å; Y100-F166 AromaticContact CZ-CE2 4Å; Y100-F166 AromaticContact CZ-CZ 3.24Å
101	T	95.4	Very high	93.3	Very high	25 Å²	25	81.6 Å²	81.6	15%	0.153	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.9	172.1	58.5	0	0	0	0	110.4	I88 G89 R91	I88-T101 CarbonylContact C-O 3.52Å; I88-T101 VanDerWaalsContact CA-O 3.27Å; I88-T101 WeakPolarHBondContact CA-O 3.16Å; G89-T101 PolarHBondContact N-O 2.79Å; G89-T101 PolarHBondContact O-N 2.95Å; R91-T101 HydrophobicContact CB-CG2 4.14Å; R91-T101 HydrophobicContact CG-CG2 3.58Å
102	L	95.9	Very high	93.3	Very high	53 Å²	53	76.7 Å²	76.7	28%	0.277	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	113.6	176.8	-76.1	175.2	0	0	0	109	R87 I88 M138 F149 F151	R87-L102 WeakPolarHBondContact O-CA 3.37Å; I88-L102 HydrophobicContact CB-CD2 4.33Å; I88-L102 HydrophobicContact CD1-CD2 3.8Å; I88-L102 HydrophobicContact CG1-CD2 3.63Å; I88-L102 HydrophobicContact CG2-CD2 4.37Å; L102-M138 HydrophobicContact CD1-SD 4.27Å; L102-M138 HydrophobicContact CD2-SD 4.36Å; L102-F149 HydrophobicContact CD1-CB 3.48Å; L102-F149 VanDerWaalsContact CD1-CB 3.48Å; L102-F149 HydrophobicContact CD1-CD1 4.21Å; L102-F149 HydrophobicContact CD1-CD2 3.39Å; L102-F149 HydrophobicContact CD1-CE2 4.13Å; L102-F149 HydrophobicContact CD1-CG 3.42Å; L102-F149 VanDerWaalsContact CD1-CG 3.42Å; L102-F151 HydrophobicContact CD1-CE2 4.12Å; L102-F151 HydrophobicContact CD1-CZ 3.86Å; L102-F151 HydrophobicContact CD2-CZ 3.99Å; L102-F151 HydrophobicContact CG-CE2 4.33Å; L102-F151 HydrophobicContact CG-CZ 3.91Å
103	D	96.1	Very high	93.3	Very high	67 Å²	67	71.5 Å²	71.5	36%	0.358	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.1	-178	-65.6	-57	0	0	0	109.8	L86 R87 R91	L86-D103 CarbonylContact C-O 3.57Å; R87-D103 PolarHBondContact N-O 2.75Å; R87-D103 PolarHBondContact O-N 3.45Å; R91-D103 IonicContact NH2-OD1 2.73Å; R91-D103 IonicContact NH2-OD2 3.71Å; R91-D103 PolarHBondContact NH2-OD2 2.83Å
104	F	97.3	Very high	93.4	Very high	71 Å²	71	69.4 Å²	69.4	31%	0.311	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	136.4	171.6	-70.8	-76.9	0	0	0	110.3	L76 L77 N80 A83 L86 F106	L76-F104 HydrophobicContact CB-CE1 4.03Å; L76-F104 HydrophobicContact CB-CZ 4.05Å; L77-F104 HydrophobicContact CD2-CD1 4.34Å; N80-F104 HydrophobicContact CB-CD1 4.25Å; N80-F104 HydrophobicContact CB-CE1 4.08Å; N80-F104 HydrophobicContact CB-CZ 4.44Å; N80-F104 VanDerWaalsContact ND2-CZ 3.28Å; N80-F104 WeakPolarHBondContact ND2-CZ 3.38Å; A83-F104 HydrophobicContact CB-CB 4.14Å; A83-F104 HydrophobicContact CB-CD1 3.9Å; A83-F104 HydrophobicContact CB-CG 4.42Å; L86-F104 HydrophobicContact CD2-CD1 3.66Å; L86-F104 HydrophobicContact CD2-CE1 3.78Å; L86-F104 HydrophobicContact CD2-CG 4.41Å; F104-F106 HydrophobicContact CB-CE1 4.47Å; F104-F106 HydrophobicContact CB-CE2 3.91Å; F104-F106 HydrophobicContact CB-CZ 3.77Å
105	C	96.4	Very high	93.7	Very high	5 Å²	5	68.7 Å²	68.7	3%	0.034	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	112.4	179.8	-167	0	0	0	0	111.3	A83 T84 G85 R87 G108 F124	A83-C105 CarbonylContact C-O 3.6Å; A83-C105 WeakPolarHBondContact CA-O 3.47Å; T84-C105 PolarHBondContact N-O 2.73Å; T84-C105 PolarHBondContact OG1-O 2.71Å; G85-C105 PolarHBondContact O-N 2.84Å; R87-C105 HydrophobicContact CB-CB 4.18Å; C105-G108 PolarHBondContact SG-O 2.84Å; C105-F124 HydrophobicContact CB-CD2 3.6Å; C105-F124 HydrophobicContact CB-CE2 3.92Å
106	F	96	Very high	94.1	Very high	122 Å²	122	63 Å²	63	54%	0.535	33%	0.33	S	S	.	.	S	Bend	trans	-95.3	-30.8	179.7	-57.8	-76	0	0	0	113.2	K82 A83 F104	K82-F106 HydrophobicContact CB-CD1 3.99Å; K82-F106 HydrophobicContact CB-CE1 4.09Å; A83-F106 HydrophobicContact CB-CD1 4.25Å; A83-F106 HydrophobicContact CB-CE1 3.99Å; F104-F106 HydrophobicContact CB-CE1 4.47Å; F104-F106 HydrophobicContact CB-CE2 3.91Å; F104-F106 HydrophobicContact CB-CZ 3.77Å
107	E	93.3	Very high	94.5	Very high	156 Å²	156	61.3 Å²	61.3	73%	0.729	32%	0.317	S	S	*	.	S	Bend	trans	-85.9	-12.3	-174.9	-62.1	169.3	-179	0	0	113.2	Q110	E107-Q110 PolarHBondContact OE2-NE2 2.87Å
108	G	92.4	Very high	94.5	Very high	10 Å²	10	63 Å²	63	10%	0.103	32%	0.322	C	S	.	.			trans	78.7	-147	-172.5	0	0	0	0	0	113	T84 R87 C105 Q110	T84-G108 WeakPolarHBondContact OG1-CA 3.28Å; T84-G108 PolarHBondContact OG1-N 3.3Å; R87-G108 PolarHBondContact NH2-O 2.81Å; C105-G108 PolarHBondContact SG-O 2.84Å; G108-Q110 PolarHBondContact O-N 3.09Å
109	R	94.2	Very high	94.5	Very high	173 Å²	173	65.7 Å²	65.7	65%	0.653	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-73.2	122.5	-174.3	-170.5	-175.2	-176.9	-173.4	-0	111	D113 V115 F124	R109-D113 HydrophobicContact CG-CB 3.92Å; R109-D113 PolarHBondContact NE-O 3.13Å; R109-D113 PolarHBondContact NH2-O 3.06Å; R109-V115 HydrophobicContact CB-CG2 4.25Å; R109-V115 HydrophobicContact CG-CG2 3.79Å; R109-F124 HydrophobicContact CB-CD1 4.11Å; R109-F124 HydrophobicContact CB-CE1 3.85Å
110	Q	94.2	Very high	94.3	Very high	72 Å²	72	72.2 Å²	72.2	34%	0.336	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-92.3	162.9	170.6	-71	177.2	4.5	0	0	111.7	R87 E107 G108 G112 D113	R87-Q110 VanDerWaalsContact NH2-CD 3.27Å; R87-Q110 VanDerWaalsContact NH2-CG 3.26Å; E107-Q110 PolarHBondContact OE2-NE2 2.87Å; G108-Q110 PolarHBondContact O-N 3.09Å; Q110-G112 PolarHBondContact O-N 3.08Å; Q110-D113 WeakPolarHBondContact CA-OD2 3.44Å; Q110-D113 WeakPolarHBondContact CB-OD2 3.44Å; Q110-D113 PolarHBondContact N-OD2 2.73Å; Q110-D113 VanDerWaalsContact O-CB 3.32Å; Q110-D113 WeakPolarHBondContact O-CB 3.42Å; Q110-D113 PolarHBondContact O-N 2.89Å
111	P	93.4	Very high	94.3	Very high	136 Å²	136	71.1 Å²	71.1	88%	0.883	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	126.2	177.3	-24.4	34.7	0	0	0	112.2	D113	P111-D113 VanDerWaalsContact C-N 3.32Å
112	G	92.7	Very high	94.3	Very high	40 Å²	40	75.9 Å²	75.9	41%	0.412	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-8	-178.2	0	0	0	0	0	114.4	Q110 Q130	Q110-G112 PolarHBondContact O-N 3.08Å; G112-Q130 PolarHBondContact O-NE2 2.92Å
113	D	94.6	Very high	94.3	Very high	4 Å²	4	73.4 Å²	73.4	2%	0.021	37%	0.368	C	S	.	.			trans	-69.6	141.2	173.7	-70.1	-11.2	0	0	0	111.2	R87 R109 Q110 P111 I125	R87-D113 IonicContact CZ-OD2 2.72Å; R87-D113 IonicContact NH1-OD2 3.03Å; R87-D113 IonicContact NH2-OD2 3.7Å; R87-D113 PolarHBondContact NH2-OD2 3.09Å; R109-D113 HydrophobicContact CG-CB 3.92Å; R109-D113 PolarHBondContact NE-O 3.13Å; R109-D113 PolarHBondContact NH2-O 3.06Å; Q110-D113 WeakPolarHBondContact CA-OD2 3.44Å; Q110-D113 WeakPolarHBondContact CB-OD2 3.44Å; Q110-D113 PolarHBondContact N-OD2 2.73Å; Q110-D113 VanDerWaalsContact O-CB 3.32Å; Q110-D113 WeakPolarHBondContact O-CB 3.42Å; Q110-D113 PolarHBondContact O-N 2.89Å; P111-D113 VanDerWaalsContact C-N 3.32Å; D113-I125 WeakPolarHBondContact CA-O 3.27Å
114	E	94.1	Very high	94.4	Very high	69 Å²	69	70.7 Å²	70.7	32%	0.322	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	142.9	165.2	-172.8	166.8	-168	0	0	109.2	P62 F124 I125 Q130	P62-E114 WeakPolarHBondContact CD-OE1 3.37Å; P62-E114 VanDerWaalsContact CG-CD 3.49Å; P62-E114 HydrophobicContact CG-CG 4.19Å; E114-F124 CarbonylContact O-C 3.55Å; E114-I125 HydrophobicContact CB-CB 4.35Å; E114-I125 PolarHBondContact N-O 3.41Å; E114-I125 VanDerWaalsContact N-O 3.1Å; E114-I125 PolarHBondContact O-N 2.85Å; E114-Q130 HydrophobicContact CB-CG 4.2Å
115	V	94.8	Very high	94.3	Very high	51 Å²	51	67.3 Å²	67.3	31%	0.309	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.4	-177.3	-174.2	0	0	0	0	108.7	R109 E117 I123 F124	R109-V115 HydrophobicContact CB-CG2 4.25Å; R109-V115 HydrophobicContact CG-CG2 3.79Å; V115-E117 HydrophobicContact CG1-CG 4.17Å; V115-I123 WeakPolarHBondContact CA-O 3.41Å; V115-F124 HydrophobicContact CG1-CD1 4.5Å; V115-F124 HydrophobicContact CG1-CE1 4.31Å; V115-F124 HydrophobicContact CG2-CD1 3.81Å; V115-F124 HydrophobicContact CG2-CE1 3.95Å
116	V	94	Very high	94.3	Very high	10 Å²	10	69.3 Å²	69.3	6%	0.061	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.5	172.2	-177.7	0	0	0	0	107.9	A61 P62 I123 I125	A61-V116 HydrophobicContact CB-CG1 4.37Å; P62-V116 HydrophobicContact CG-CG2 3.52Å; V116-I123 HydrophobicContact CB-CB 4.38Å; V116-I123 PolarHBondContact N-O 3.19Å; V116-I123 PolarHBondContact O-N 2.8Å; V116-I125 HydrophobicContact CG2-CD1 3.75Å
117	E	93.7	Very high	94.3	Very high	123 Å²	123	72.5 Å²	72.5	58%	0.575	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.4	172.5	-57.3	-164.5	146	0	0	108.7	V115 V121 R122	V115-E117 HydrophobicContact CG1-CG 4.17Å; E117-V121 WeakPolarHBondContact CA-O 3.49Å; E117-R122 HydrophobicContact CG-CG 4.17Å; E117-R122 IonicContact OE1-CZ 3.12Å; E117-R122 VanDerWaalsContact OE1-CZ 3.31Å; E117-R122 IonicContact OE1-NE 3.1Å; E117-R122 PolarHBondContact OE1-NE 3.43Å; E117-R122 IonicContact OE1-NH2 3.31Å; E117-R122 PolarHBondContact OE1-NH2 3.27Å; E117-R122 VanDerWaalsContact OE1-NH2 3.1Å
118	Q	92.9	Very high	94.3	Very high	48 Å²	48	73 Å²	73	22%	0.224	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	126.8	177.1	-164.1	-169.3	-54.6	0	0	109.2	L65 N120 V121	L65-Q118 PolarHBondContact O-NE2 2.79Å; Q118-N120 VanDerWaalsContact C-N 3.25Å; Q118-N120 PolarHBondContact O-N 3.13Å; Q118-N120 VanDerWaalsContact O-N 3.13Å; Q118-V121 PolarHBondContact N-O 3.24Å; Q118-V121 WeakPolarHBondContact O-CA 3.3Å; Q118-V121 WeakPolarHBondContact O-CB 3.43Å; Q118-V121 PolarHBondContact O-N 2.88Å
119	D	92.7	Very high	94.5	Very high	98 Å²	98	72.6 Å²	72.6	52%	0.524	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	41.1	173.6	-59	-55.1	0	0	0	114.1	V70 V121	V70-D119 HydrophobicContact CG1-CB 3.53Å; V70-D119 HydrophobicContact CG2-CB 4.29Å; D119-V121 PolarHBondContact O-N 2.77Å
120	N	91.8	Very high	94.4	Very high	159 Å²	159	66.5 Å²	66.5	85%	0.85	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	8.3	-174.6	-52.8	-52.4	0	0	0	116.1	Q118	Q118-N120 VanDerWaalsContact C-N 3.25Å; Q118-N120 PolarHBondContact O-N 3.13Å; Q118-N120 VanDerWaalsContact O-N 3.13Å
121	V	95	Very high	94.3	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	132	168.3	-177	0	0	0	0	109.2	L65 V70 A73 L74 L77 E117 Q118 D119 I123	L65-V121 HydrophobicContact CD2-CG1 4.44Å; V70-V121 HydrophobicContact CG1-CG2 4.04Å; A73-V121 HydrophobicContact CB-CG1 3.83Å; A73-V121 HydrophobicContact CB-CG2 4.12Å; L74-V121 HydrophobicContact CD1-CG2 4.39Å; L74-V121 HydrophobicContact CD2-CG2 3.54Å; L74-V121 HydrophobicContact CG-CG2 3.52Å; L77-V121 HydrophobicContact CD1-CG1 4.35Å; E117-V121 WeakPolarHBondContact CA-O 3.49Å; Q118-V121 PolarHBondContact N-O 3.24Å; Q118-V121 WeakPolarHBondContact O-CA 3.3Å; Q118-V121 WeakPolarHBondContact O-CB 3.43Å; Q118-V121 PolarHBondContact O-N 2.88Å; D119-V121 PolarHBondContact O-N 2.77Å; V121-I123 HydrophobicContact CG1-CD1 3.64Å; V121-I123 HydrophobicContact CG1-CG1 4.1Å
122	R	95.2	Very high	94.3	Very high	126 Å²	126	63.8 Å²	63.8	48%	0.475	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.4	172	-69.7	-177.7	164.4	164	0.3	110.1	G85 L86 E117 F124	G85-R122 CarbonylContact C-O 3.6Å; G85-R122 VanDerWaalsContact CA-O 3.22Å; G85-R122 WeakPolarHBondContact CA-O 3.28Å; L86-R122 PolarHBondContact N-O 3.13Å; E117-R122 HydrophobicContact CG-CG 4.17Å; E117-R122 IonicContact OE1-CZ 3.12Å; E117-R122 VanDerWaalsContact OE1-CZ 3.31Å; E117-R122 IonicContact OE1-NE 3.1Å; E117-R122 PolarHBondContact OE1-NE 3.43Å; E117-R122 IonicContact OE1-NH2 3.31Å; E117-R122 PolarHBondContact OE1-NH2 3.27Å; E117-R122 VanDerWaalsContact OE1-NH2 3.1Å; R122-F124 HydrophobicContact CB-CE2 4.45Å
123	I	96.6	Very high	94.4	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123.1	175.3	-55.1	-59.8	0	0	0	109	L63 L65 L86 I88 V115 V116 V121 I125 M138	L63-I123 HydrophobicContact CD2-CG2 4.13Å; L65-I123 HydrophobicContact CD1-CG1 4.29Å; L65-I123 HydrophobicContact CD2-CD1 4.36Å; L65-I123 HydrophobicContact CD2-CG1 4.21Å; L86-I123 HydrophobicContact CB-CD1 3.79Å; L86-I123 HydrophobicContact CD1-CD1 4.15Å; L86-I123 HydrophobicContact CG-CD1 4.38Å; L86-I123 CarbonylContact O-C 3.57Å; L86-I123 WeakPolarHBondContact O-CA 3.29Å; I88-I123 HydrophobicContact CD1-CG2 3.64Å; I88-I123 HydrophobicContact CG1-CG2 3.52Å; V115-I123 WeakPolarHBondContact CA-O 3.41Å; V116-I123 HydrophobicContact CB-CB 4.38Å; V116-I123 PolarHBondContact N-O 3.19Å; V116-I123 PolarHBondContact O-N 2.8Å; V121-I123 HydrophobicContact CG1-CD1 3.64Å; V121-I123 HydrophobicContact CG1-CG1 4.1Å; I123-I125 HydrophobicContact CG2-CG1 4.2Å; I123-M138 HydrophobicContact CD1-CE 4.28Å
124	F	96.8	Very high	94.2	Very high	10 Å²	10	65.7 Å²	65.7	4%	0.044	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.9	172.6	-58.4	-81.1	0	0	0	108.9	L86 R87 I88 C105 R109 E114 V115 R122	L86-F124 PolarHBondContact O-N 2.9Å; R87-F124 CarbonylContact C-O 3.55Å; R87-F124 WeakPolarHBondContact CA-O 3.2Å; R87-F124 HydrophobicContact CB-CB 4.37Å; R87-F124 HydrophobicContact CG-CB 4.47Å; I88-F124 PolarHBondContact N-O 3.4Å; C105-F124 HydrophobicContact CB-CD2 3.6Å; C105-F124 HydrophobicContact CB-CE2 3.92Å; R109-F124 HydrophobicContact CB-CD1 4.11Å; R109-F124 HydrophobicContact CB-CE1 3.85Å; E114-F124 CarbonylContact O-C 3.55Å; V115-F124 HydrophobicContact CG1-CD1 4.5Å; V115-F124 HydrophobicContact CG1-CE1 4.31Å; V115-F124 HydrophobicContact CG2-CD1 3.81Å; V115-F124 HydrophobicContact CG2-CE1 3.95Å; R122-F124 HydrophobicContact CB-CE2 4.45Å
125	I	96.6	Very high	94.1	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116.8	-179.4	-58.4	174.1	0	0	0	108.6	P62 L63 D113 E114 V116 I123 A129 Q130 L133	P62-I125 HydrophobicContact CB-CD1 4.1Å; P62-I125 HydrophobicContact CG-CD1 3.59Å; L63-I125 HydrophobicContact CB-CD1 4.14Å; D113-I125 WeakPolarHBondContact CA-O 3.27Å; E114-I125 HydrophobicContact CB-CB 4.35Å; E114-I125 PolarHBondContact N-O 3.41Å; E114-I125 VanDerWaalsContact N-O 3.1Å; E114-I125 PolarHBondContact O-N 2.85Å; V116-I125 HydrophobicContact CG2-CD1 3.75Å; I123-I125 HydrophobicContact CG2-CG1 4.2Å; I125-A129 HydrophobicContact CG2-CB 4.03Å; I125-Q130 HydrophobicContact CB-CG 4.39Å; I125-Q130 HydrophobicContact CG2-CB 4.43Å; I125-Q130 HydrophobicContact CG2-CG 3.69Å; I125-Q130 PolarHBondContact O-NE2 2.8Å; I125-L133 HydrophobicContact CB-CD1 4.49Å; I125-L133 HydrophobicContact CD1-CD1 4.1Å; I125-L133 HydrophobicContact CG1-CD1 4.11Å; I125-L133 HydrophobicContact CG2-CD1 3.62Å
126	D	96.1	Very high	94.1	Very high	47 Å²	47	62.5 Å²	62.5	25%	0.251	30%	0.302	S	S	.	.			trans	-57.5	142	173.3	-179.8	10.4	0	0	0	109.8	I88 R128 A129 Q130	I88-D126 WeakPolarHBondContact O-CB 3.34Å; I88-D126 PolarHBondContact O-N 3.3Å; D126-R128 PolarHBondContact O-N 3Å; D126-A129 WeakPolarHBondContact O-CA 3.38Å; D126-A129 WeakPolarHBondContact O-CB 2.99Å; D126-A129 PolarHBondContact O-N 3.35Å; D126-Q130 PolarHBondContact O-N 3.09Å
127	R	95.2	Very high	94.2	Very high	188 Å²	188	66 Å²	66	71%	0.709	32%	0.318	S	S	*	.	H	α-helix	trans	-49.7	-36.1	179.5	-169.8	178.8	-178.9	-144	-0.7	113.1	A129	R127-A129 VanDerWaalsContact C-N 3.33Å
128	R	93.6	Very high	94.4	Very high	168 Å²	168	60.1 Å²	60.1	63%	0.634	29%	0.291	S	S	*	.	H	α-helix	trans	-70.9	-28.3	178.3	-63.6	-179.8	66.9	177.4	0.3	113.3	V90 D126	V90-R128 HydrophobicContact CG2-CB 3.68Å; D126-R128 PolarHBondContact O-N 3Å
129	A	95.3	Very high	94.6	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-89.2	-17.9	-177.8	0	0	0	0	0	113.1	V90 I125 D126 R127 L131 T132 L133	V90-A129 HydrophobicContact CG1-CB 3.9Å; V90-A129 HydrophobicContact CG2-CB 4.37Å; I125-A129 HydrophobicContact CG2-CB 4.03Å; D126-A129 WeakPolarHBondContact O-CA 3.38Å; D126-A129 WeakPolarHBondContact O-CB 2.99Å; D126-A129 PolarHBondContact O-N 3.35Å; R127-A129 VanDerWaalsContact C-N 3.33Å; A129-L131 PolarHBondContact O-N 2.96Å; A129-T132 WeakPolarHBondContact CA-OG1 3.36Å; A129-T132 PolarHBondContact O-N 3.03Å; A129-T132 PolarHBondContact O-OG1 2.8Å; A129-L133 HydrophobicContact CB-CD1 4.14Å; A129-L133 WeakPolarHBondContact O-CB 3.43Å; A129-L133 WeakPolarHBondContact O-CG 3.38Å; A129-L133 PolarHBondContact O-N 2.93Å
130	Q	94	Very high	94.8	Very high	46 Å²	46	56.1 Å²	56.1	22%	0.215	27%	0.269	C	S	.	.	H	α-helix	trans	-53.5	-53	-175.9	-74.2	171.7	13.2	0	0	112.9	G112 E114 I125 D126 T132 L133 L134	G112-Q130 PolarHBondContact O-NE2 2.92Å; E114-Q130 HydrophobicContact CB-CG 4.2Å; I125-Q130 HydrophobicContact CB-CG 4.39Å; I125-Q130 HydrophobicContact CG2-CB 4.43Å; I125-Q130 HydrophobicContact CG2-CG 3.69Å; I125-Q130 PolarHBondContact O-NE2 2.8Å; D126-Q130 PolarHBondContact O-N 3.09Å; Q130-T132 VanDerWaalsContact C-N 3.34Å; Q130-T132 PolarHBondContact O-N 2.94Å; Q130-L133 PolarHBondContact O-N 2.89Å; Q130-L134 PolarHBondContact O-N 2.95Å
131	L	92.1	Very high	95	Very high	141 Å²	141	52.1 Å²	52.1	74%	0.738	25%	0.245	S	C	*	.	H	α-helix	trans	-66.1	-36.7	-179.1	-66	176.7	0	0	0	112.5	A129 L133 L134	A129-L131 PolarHBondContact O-N 2.96Å; L131-L133 VanDerWaalsContact C-N 3.32Å; L131-L134 HydrophobicContact CD2-CD1 4.24Å
132	T	92.5	Very high	95.1	Very high	10 Å²	10	58.5 Å²	58.5	6%	0.061	28%	0.275	C	S	.	.	H	α-helix	trans	-70.1	-30.6	178	53	0	0	0	0	112	L98 Y100 A129 Q130 N153 V168	L98-T132 HydrophobicContact CD1-CG2 4.26Å; Y100-T132 PolarHBondContact OH-O 3Å; Y100-T132 VanDerWaalsContact OH-O 3.1Å; A129-T132 WeakPolarHBondContact CA-OG1 3.36Å; A129-T132 PolarHBondContact O-N 3.03Å; A129-T132 PolarHBondContact O-OG1 2.8Å; Q130-T132 VanDerWaalsContact C-N 3.34Å; Q130-T132 PolarHBondContact O-N 2.94Å; T132-N153 PolarHBondContact O-ND2 2.08Å; T132-V168 HydrophobicContact CG2-CG1 4.32Å; T132-V168 HydrophobicContact CG2-CG2 3.88Å
133	L	94	Very high	95	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-84.7	-13.8	-176.6	-72.8	174.9	0	0	0	113.8	P62 L63 I88 Y100 I125 A129 Q130 L131 G135 T136 F151	P62-L133 CarbonylContact O-C 3.56Å; L63-L133 HydrophobicContact CD1-CD2 4.17Å; I88-L133 HydrophobicContact CB-CD1 4.06Å; I88-L133 HydrophobicContact CD1-CD1 4.38Å; I88-L133 HydrophobicContact CG2-CD1 3.83Å; Y100-L133 HydrophobicContact CD1-CD2 3.96Å; Y100-L133 HydrophobicContact CE1-CD2 3.47Å; Y100-L133 VanDerWaalsContact CE1-CD2 3.47Å; Y100-L133 HydrophobicContact CE1-CG 3.97Å; Y100-L133 HydrophobicContact CE2-CD2 4.44Å; I125-L133 HydrophobicContact CB-CD1 4.49Å; I125-L133 HydrophobicContact CD1-CD1 4.1Å; I125-L133 HydrophobicContact CG1-CD1 4.11Å; I125-L133 HydrophobicContact CG2-CD1 3.62Å; A129-L133 HydrophobicContact CB-CD1 4.14Å; A129-L133 WeakPolarHBondContact O-CB 3.43Å; A129-L133 WeakPolarHBondContact O-CG 3.38Å; A129-L133 PolarHBondContact O-N 2.93Å; Q130-L133 PolarHBondContact O-N 2.89Å; L131-L133 VanDerWaalsContact C-N 3.32Å; L133-G135 PolarHBondContact O-N 3.33Å; L133-G135 VanDerWaalsContact O-N 3.09Å; L133-T136 WeakPolarHBondContact CA-OG1 3.42Å; L133-T136 HydrophobicContact CD2-CG2 4.18Å; L133-T136 WeakPolarHBondContact O-CA 3.48Å; L133-T136 WeakPolarHBondContact O-CB 3.45Å; L133-T136 PolarHBondContact O-N 3.1Å; L133-T136 PolarHBondContact O-OG1 3.05Å; L133-F151 HydrophobicContact CD2-CD1 4.08Å; L133-F151 HydrophobicContact CD2-CE1 4.4Å
134	L	92.2	Very high	94.9	Very high	84 Å²	84	64.5 Å²	64.5	44%	0.44	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	117.8	-176.5	-71.2	177.1	0	0	0	113	P62 Q130 L131 T136 N155	P62-L134 HydrophobicContact CB-CD2 4.19Å; P62-L134 WeakPolarHBondContact O-CA 3.38Å; Q130-L134 PolarHBondContact O-N 2.95Å; L131-L134 HydrophobicContact CD2-CD1 4.24Å; L134-T136 PolarHBondContact O-N 2.74Å; L134-N155 PolarHBondContact O-ND2 2.73Å
135	G	91.7	Very high	94.8	Very high	52 Å²	52	72.2 Å²	72.2	54%	0.536	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	12.4	179.4	0	0	0	0	0	114	P62 L133 P154	P62-G135 PolarHBondContact O-N 3.44Å; L133-G135 PolarHBondContact O-N 3.33Å; L133-G135 VanDerWaalsContact O-N 3.09Å; G135-P154 VanDerWaalsContact O-CD 3.3Å; G135-P154 WeakPolarHBondContact O-CD 3.2Å
136	T	94.7	Very high	94.7	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	140.6	176	-59.2	0	0	0	0	110.2	L63 T64 L133 L134 F151 N152 N153	L63-T136 HydrophobicContact CD1-CG2 4.08Å; L63-T136 WeakPolarHBondContact CD1-O 3.35Å; T64-T136 PolarHBondContact N-O 2.83Å; T64-T136 VanDerWaalsContact N-O 3.08Å; L133-T136 WeakPolarHBondContact CA-OG1 3.42Å; L133-T136 HydrophobicContact CD2-CG2 4.18Å; L133-T136 WeakPolarHBondContact O-CA 3.48Å; L133-T136 WeakPolarHBondContact O-CB 3.45Å; L133-T136 PolarHBondContact O-N 3.1Å; L133-T136 PolarHBondContact O-OG1 3.05Å; L134-T136 PolarHBondContact O-N 2.74Å; T136-F151 HydrophobicContact CG2-CB 3.94Å; T136-F151 HydrophobicContact CG2-CD1 4.15Å; T136-N152 WeakPolarHBondContact CA-O 3.31Å; T136-N153 HydrophobicContact CG2-CB 4.03Å; T136-N153 WeakPolarHBondContact OG1-CB 3.41Å; T136-N153 VanDerWaalsContact OG1-CG 3.29Å
137	E	95.8	Very high	94.7	Very high	84 Å²	84	75.3 Å²	75.3	39%	0.393	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.9	168.7	-174.3	173.2	-156.7	0	0	109.8	T64 T66 N152	T64-E137 CarbonylContact O-C 3.58Å; T64-E137 WeakPolarHBondContact O-CA 3.42Å; T66-E137 HydrophobicContact CG2-CG 3.83Å; T66-E137 VanDerWaalsContact CG2-OE1 3.25Å; T66-E137 WeakPolarHBondContact CG2-OE1 3.42Å; E137-N152 HydrophobicContact CB-CB 4.43Å; E137-N152 PolarHBondContact N-O 3.18Å; E137-N152 VanDerWaalsContact N-O 3.09Å; E137-N152 PolarHBondContact O-N 3.4Å
138	M	97.3	Very high	94.6	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.7	171.6	-179.4	173.5	68.2	0	0	109.4	L63 T64 L65 T66 A69 I88 L102 I123 F149 V150 F151	L63-M138 HydrophobicContact CD1-CB 3.95Å; L63-M138 HydrophobicContact CD2-CB 4.37Å; L63-M138 HydrophobicContact CG-CB 4.43Å; T64-M138 PolarHBondContact O-N 3.1Å; L65-M138 WeakPolarHBondContact CA-O 3.36Å; L65-M138 HydrophobicContact CD1-CE 4.28Å; L65-M138 HydrophobicContact CD2-CE 3.31Å; L65-M138 HydrophobicContact CG-CB 4.48Å; L65-M138 HydrophobicContact CG-CE 3.49Å; L65-M138 VanDerWaalsContact CG-CE 3.49Å; T66-M138 PolarHBondContact N-O 3.44Å; T66-M138 PolarHBondContact OG1-O 3.47Å; A69-M138 HydrophobicContact CB-CE 4.46Å; A69-M138 HydrophobicContact CB-CG 4.33Å; A69-M138 WeakPolarHBondContact CB-O 3.28Å; I88-M138 HydrophobicContact CD1-SD 4.23Å; L102-M138 HydrophobicContact CD1-SD 4.27Å; L102-M138 HydrophobicContact CD2-SD 4.36Å; I123-M138 HydrophobicContact CD1-CE 4.28Å; M138-F149 HydrophobicContact CG-CD1 4.06Å; M138-F149 HydrophobicContact SD-CD1 3.89Å; M138-F149 HydrophobicContact SD-CE1 4.47Å; M138-F149 HydrophobicContact SD-CG 4.45Å; M138-V150 WeakPolarHBondContact CA-O 3.3Å; M138-F151 HydrophobicContact CB-CD1 4.11Å; M138-F151 HydrophobicContact CB-CE1 3.96Å; M138-F151 HydrophobicContact CG-CD1 4.23Å; M138-F151 HydrophobicContact CG-CE1 3.78Å; M138-F151 HydrophobicContact CG-CZ 4.1Å; M138-F151 HydrophobicContact SD-CE1 3.62Å; M138-F151 HydrophobicContact SD-CZ 3.66Å
139	D	97.2	Very high	94.8	Very high	31 Å²	31	65.4 Å²	65.4	17%	0.166	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	162.6	173.5	-167	20.4	0	0	0	111.3	T66 S68 F149 V150	T66-D139 WeakPolarHBondContact CB-OD1 3.49Å; T66-D139 HydrophobicContact CG2-CB 3.7Å; T66-D139 WeakPolarHBondContact CG2-OD1 3.47Å; T66-D139 WeakPolarHBondContact OG1-CA 3.46Å; T66-D139 PolarHBondContact OG1-OD1 3.06Å; S68-D139 PolarHBondContact OG-OD1 3.28Å; D139-F149 CarbonylContact O-C 3.52Å; D139-F149 VanDerWaalsContact O-CA 3.29Å; D139-F149 WeakPolarHBondContact O-CA 3.17Å; D139-V150 PolarHBondContact N-O 3.19Å; D139-V150 PolarHBondContact O-N 2.84Å
140	Y	97.8	Very high	94.8	Very high	30 Å²	30	66.7 Å²	66.7	12%	0.118	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	112.8	169.2	-178	-107.8	0	0	0	109.3	R72 Q142 S147 Q148 F149	R72-Y140 HydrophobicContact CB-CD1 3.64Å; R72-Y140 HydrophobicContact CB-CD2 4.14Å; R72-Y140 HydrophobicContact CB-CE1 3.94Å; R72-Y140 HydrophobicContact CB-CE2 4.45Å; R72-Y140 HydrophobicContact CB-CG 3.73Å; R72-Y140 HydrophobicContact CG-CD1 3.81Å; R72-Y140 HydrophobicContact CG-CD2 3.76Å; R72-Y140 HydrophobicContact CG-CE1 3.65Å; R72-Y140 HydrophobicContact CG-CE2 3.64Å; R72-Y140 HydrophobicContact CG-CG 3.84Å; R72-Y140 PolarHBondContact NE-OH 3.41Å; Y140-Q142 HydrophobicContact CE1-CB 4.27Å; Y140-S147 WeakPolarHBondContact OH-CB 3.34Å; Y140-Q148 VanDerWaalsContact CD2-O 3.3Å; Y140-Q148 WeakPolarHBondContact CD2-O 3.49Å; Y140-F149 HydrophobicContact CD2-CD1 4.01Å; Y140-F149 HydrophobicContact CD2-CD2 4.16Å; Y140-F149 HydrophobicContact CD2-CE1 4.01Å; Y140-F149 HydrophobicContact CD2-CE2 4.17Å; Y140-F149 HydrophobicContact CD2-CG 4.09Å; Y140-F149 HydrophobicContact CD2-CZ 4.09Å; Y140-F149 HydrophobicContact CE2-CE2 4.4Å; Y140-F149 HydrophobicContact CG-CE1 4.42Å
141	Q	96.1	Very high	94.8	Very high	75 Å²	75	65.9 Å²	65.9	35%	0.35	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.9	179.3	-66.2	-178.8	0.3	0	0	109.4	S147 Q148 V150	Q141-S147 CarbonylContact O-C 3.56Å; Q141-S147 VanDerWaalsContact O-CA 3.28Å; Q141-S147 WeakPolarHBondContact O-CA 3.32Å; Q141-Q148 PolarHBondContact N-O 2.82Å; Q141-Q148 PolarHBondContact O-N 2.7Å; Q141-V150 HydrophobicContact CB-CG2 4.12Å; Q141-V150 HydrophobicContact CG-CB 4.48Å; Q141-V150 HydrophobicContact CG-CG2 3.92Å
142	Q	95.2	Very high	94.9	Very high	136 Å²	136	62.9 Å²	62.9	64%	0.636	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	108.3	178.8	171.9	160.3	74.7	0	0	108.6	Y140 S147	Y140-Q142 HydrophobicContact CE1-CB 4.27Å; Q142-S147 WeakPolarHBondContact CG-OG 3.38Å; Q142-S147 PolarHBondContact NE2-OG 3.26Å
143	D	93.4	Very high	95	Very high	102 Å²	102	63 Å²	63	55%	0.545	34%	0.344	S	S	.	.			trans	-95.4	176.4	169.4	-65.4	-39.3	0	0	0	110	L145 S146	D143-L145 PolarHBondContact O-N 2.9Å; D143-S146 CarbonylContact C-O 3.47Å; D143-S146 PolarHBondContact N-O 3.44Å; D143-S146 VanDerWaalsContact O-O 3.06Å
144	V	95.2	Very high	94.9	Very high	150 Å²	150	67.7 Å²	67.7	91%	0.909	38%	0.375	S	S	*	.	S	Bend	trans	-61.8	-33	179.5	-178.2	0	0	0	0	112.3
145	L	95.2	Very high	94.9	Very high	173 Å²	173	67.9 Å²	67.9	91%	0.906	38%	0.376	S	S	*	.	S	Bend	trans	-114.2	-10.2	-173.8	-61	179	0	0	0	114	D143	D143-L145 PolarHBondContact O-N 2.9Å
146	S	94.2	Very high	94.9	Very high	53 Å²	53	67.9 Å²	67.9	37%	0.371	36%	0.364	S	S	.	.			trans	-144.6	151.6	-174.4	56.5	0	0	0	0	110.9	D143	D143-S146 CarbonylContact C-O 3.47Å; D143-S146 PolarHBondContact N-O 3.44Å; D143-S146 VanDerWaalsContact O-O 3.06Å
147	S	95.2	Very high	94.7	Very high	58 Å²	58	75.7 Å²	75.7	41%	0.406	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	132.1	169	-46	0	0	0	0	109.2	Y140 Q141 Q142	Y140-S147 WeakPolarHBondContact OH-CB 3.34Å; Q141-S147 CarbonylContact O-C 3.56Å; Q141-S147 VanDerWaalsContact O-CA 3.28Å; Q141-S147 WeakPolarHBondContact O-CA 3.32Å; Q142-S147 WeakPolarHBondContact CG-OG 3.38Å; Q142-S147 PolarHBondContact NE2-OG 3.26Å
148	Q	95	Very high	94.4	Very high	107 Å²	107	73 Å²	73	50%	0.5	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	155	-171.1	60.9	-175.5	6.2	0	0	111.9	Y140 Q141 V150	Y140-Q148 VanDerWaalsContact CD2-O 3.3Å; Y140-Q148 WeakPolarHBondContact CD2-O 3.49Å; Q141-Q148 PolarHBondContact N-O 2.82Å; Q141-Q148 PolarHBondContact O-N 2.7Å; Q148-V150 HydrophobicContact CG-CG2 3.89Å
149	F	96.5	Very high	94.1	Very high	41 Å²	41	77.8 Å²	77.8	18%	0.18	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	129.1	164.6	-71	-83.2	0	0	0	109	A69 R72 L76 L102 M138 D139 Y140 F151	A69-F149 HydrophobicContact CB-CD1 4.49Å; A69-F149 HydrophobicContact CB-CE1 4.36Å; R72-F149 HydrophobicContact CB-CE1 4.42Å; R72-F149 HydrophobicContact CB-CZ 4.16Å; R72-F149 HydrophobicContact CG-CE1 4.43Å; R72-F149 HydrophobicContact CG-CE2 4.34Å; R72-F149 HydrophobicContact CG-CZ 3.76Å; L76-F149 HydrophobicContact CD1-CE2 3.64Å; L76-F149 HydrophobicContact CD1-CZ 3.78Å; L102-F149 HydrophobicContact CD1-CB 3.48Å; L102-F149 VanDerWaalsContact CD1-CB 3.48Å; L102-F149 HydrophobicContact CD1-CD1 4.21Å; L102-F149 HydrophobicContact CD1-CD2 3.39Å; L102-F149 HydrophobicContact CD1-CE2 4.13Å; L102-F149 HydrophobicContact CD1-CG 3.42Å; L102-F149 VanDerWaalsContact CD1-CG 3.42Å; M138-F149 HydrophobicContact CG-CD1 4.06Å; M138-F149 HydrophobicContact SD-CD1 3.89Å; M138-F149 HydrophobicContact SD-CE1 4.47Å; M138-F149 HydrophobicContact SD-CG 4.45Å; D139-F149 CarbonylContact O-C 3.52Å; D139-F149 VanDerWaalsContact O-CA 3.29Å; D139-F149 WeakPolarHBondContact O-CA 3.17Å; Y140-F149 HydrophobicContact CD2-CD1 4.01Å; Y140-F149 HydrophobicContact CD2-CD2 4.16Å; Y140-F149 HydrophobicContact CD2-CE1 4.01Å; Y140-F149 HydrophobicContact CD2-CE2 4.17Å; Y140-F149 HydrophobicContact CD2-CG 4.09Å; Y140-F149 HydrophobicContact CD2-CZ 4.09Å; Y140-F149 HydrophobicContact CE2-CE2 4.4Å; Y140-F149 HydrophobicContact CG-CE1 4.42Å; F149-F151 HydrophobicContact CB-CE2 4.23Å
150	V	95	Very high	93.7	Very high	27 Å²	27	77.8 Å²	77.8	16%	0.164	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	134.5	-179.8	-178.8	0	0	0	0	108.7	M138 D139 Q141 Q148	M138-V150 WeakPolarHBondContact CA-O 3.3Å; D139-V150 PolarHBondContact N-O 3.19Å; D139-V150 PolarHBondContact O-N 2.84Å; Q141-V150 HydrophobicContact CB-CG2 4.12Å; Q141-V150 HydrophobicContact CG-CB 4.48Å; Q141-V150 HydrophobicContact CG-CG2 3.92Å; Q148-V150 HydrophobicContact CG-CG2 3.89Å
151	F	95.4	Very high	93.1	Very high	30 Å²	30	81 Å²	81	13%	0.132	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	105.6	-178	-67.8	-88.7	0	0	0	109.8	L63 I88 Y100 L102 L133 T136 M138 F149 N153	L63-F151 HydrophobicContact CD1-CD1 4.45Å; I88-F151 HydrophobicContact CD1-CE1 3.77Å; I88-F151 HydrophobicContact CD1-CZ 4.14Å; I88-F151 HydrophobicContact CG2-CE1 4.3Å; I88-F151 HydrophobicContact CG2-CZ 4.32Å; Y100-F151 HydrophobicContact CD2-CB 3.51Å; Y100-F151 HydrophobicContact CD2-CD1 4.18Å; Y100-F151 AromaticContact CD2-CD2 3.66Å; Y100-F151 HydrophobicContact CD2-CD2 3.66Å; Y100-F151 HydrophobicContact CD2-CE2 4.42Å; Y100-F151 AromaticContact CD2-CG 3.51Å; Y100-F151 HydrophobicContact CD2-CG 3.51Å; Y100-F151 HydrophobicContact CE2-CB 3.54Å; Y100-F151 HydrophobicContact CE2-CD1 4.49Å; Y100-F151 AromaticContact CE2-CG 3.97Å; Y100-F151 HydrophobicContact CE2-CG 3.97Å; Y100-F151 HydrophobicContact CG-CD1 4.48Å; Y100-F151 HydrophobicContact CG-CD2 4.09Å; Y100-F151 HydrophobicContact CG-CE2 4.41Å; Y100-F151 HydrophobicContact CG-CG 4.12Å; L102-F151 HydrophobicContact CD1-CE2 4.12Å; L102-F151 HydrophobicContact CD1-CZ 3.86Å; L102-F151 HydrophobicContact CD2-CZ 3.99Å; L102-F151 HydrophobicContact CG-CE2 4.33Å; L102-F151 HydrophobicContact CG-CZ 3.91Å; L133-F151 HydrophobicContact CD2-CD1 4.08Å; L133-F151 HydrophobicContact CD2-CE1 4.4Å; T136-F151 HydrophobicContact CG2-CB 3.94Å; T136-F151 HydrophobicContact CG2-CD1 4.15Å; M138-F151 HydrophobicContact CB-CD1 4.11Å; M138-F151 HydrophobicContact CB-CE1 3.96Å; M138-F151 HydrophobicContact CG-CD1 4.23Å; M138-F151 HydrophobicContact CG-CE1 3.78Å; M138-F151 HydrophobicContact CG-CZ 4.1Å; M138-F151 HydrophobicContact SD-CE1 3.62Å; M138-F151 HydrophobicContact SD-CZ 3.66Å; F149-F151 HydrophobicContact CB-CE2 4.23Å; F151-N153 PolarHBondContact O-N 3.38Å
152	N	94.1	Very high	92.5	Very high	78 Å²	78	81.7 Å²	81.7	42%	0.417	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	88.6	179.7	-63.5	-33.6	0	0	0	109.4	T136 E137	T136-N152 WeakPolarHBondContact CA-O 3.31Å; E137-N152 HydrophobicContact CB-CB 4.43Å; E137-N152 PolarHBondContact N-O 3.18Å; E137-N152 VanDerWaalsContact N-O 3.09Å; E137-N152 PolarHBondContact O-N 3.4Å
153	N	93.9	Very high	92	Very high	12 Å²	12	78.1 Å²	78.1	6%	0.064	48%	0.478	C	S	.	.			trans	-98.8	114.4	179.7	178.7	5.1	0	0	0	110.8	Y100 T132 T136 F151 N155 I156	Y100-N153 PolarHBondContact OH-ND2 2.95Å; T132-N153 PolarHBondContact O-ND2 2.08Å; T136-N153 HydrophobicContact CG2-CB 4.03Å; T136-N153 WeakPolarHBondContact OG1-CB 3.41Å; T136-N153 VanDerWaalsContact OG1-CG 3.29Å; F151-N153 PolarHBondContact O-N 3.38Å; N153-N155 PolarHBondContact O-N 3.21Å; N153-N155 WeakPolarHBondContact OD1-CB 3.5Å; N153-N155 PolarHBondContact OD1-N 2.69Å; N153-I156 HydrophobicContact CB-CD1 3.75Å; N153-I156 HydrophobicContact CB-CG1 3.81Å; N153-I156 PolarHBondContact O-N 2.74Å
154	P	91.6	Very high	91.6	Very high	98 Å²	98	78.5 Å²	78.5	64%	0.636	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-13.6	179.9	29.4	-35.9	0	0	0	113.9	G135	G135-P154 VanDerWaalsContact O-CD 3.3Å; G135-P154 WeakPolarHBondContact O-CD 3.2Å
155	N	91.7	Very high	91.4	Very high	89 Å²	89	71.8 Å²	71.8	48%	0.476	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	5.3	-177.9	-57.6	-56	0	0	0	113.7	L134 N153 K157	L134-N155 PolarHBondContact O-ND2 2.73Å; N153-N155 PolarHBondContact O-N 3.21Å; N153-N155 WeakPolarHBondContact OD1-CB 3.5Å; N153-N155 PolarHBondContact OD1-N 2.69Å; N155-K157 PolarHBondContact O-N 3.43Å
156	I	92.2	Very high	91.1	Very high	52 Å²	52	64.3 Å²	64.3	27%	0.267	40%	0.396	S	S	.	.			trans	-67.9	126.6	177.2	-71	170.2	0	0	0	110	N153 G158 T159 F166 V168	N153-I156 HydrophobicContact CB-CD1 3.75Å; N153-I156 HydrophobicContact CB-CG1 3.81Å; N153-I156 PolarHBondContact O-N 2.74Å; I156-G158 WeakPolarHBondContact CG2-O 3.22Å; I156-T159 HydrophobicContact CG2-CG2 3.91Å; I156-F166 HydrophobicContact CD1-CB 4.06Å; I156-F166 HydrophobicContact CD1-CD2 4.37Å; I156-F166 HydrophobicContact CD1-CG 4.12Å; I156-F166 HydrophobicContact CG1-CB 4.21Å; I156-F166 HydrophobicContact CG1-CD2 4.07Å; I156-F166 HydrophobicContact CG1-CG 4.27Å; I156-F166 HydrophobicContact CG2-CB 4.01Å; I156-V168 HydrophobicContact CG1-CG1 4.45Å
157	K	91	Very high	90.8	Very high	163 Å²	163	64.2 Å²	64.2	71%	0.709	40%	0.396	S	S	*	.			trans	-85.6	-29.5	176.6	-68	-178.8	-176	133.2	0	113.1	N155 S167 V168	N155-K157 PolarHBondContact O-N 3.43Å; K157-S167 PolarHBondContact N-O 2.86Å; K157-V168 VanDerWaalsContact CD-OXT 3.3Å; K157-V168 WeakPolarHBondContact CD-OXT 3.14Å; K157-V168 WeakPolarHBondContact CE-OXT 3.34Å; K157-V168 WeakPolarHBondContact CG-OXT 3.35Å; K157-V168 PolarHBondContact NZ-O 3.16Å; K157-V168 PolarHBondContact NZ-OXT 3.22Å
158	G	89.5	Confident	90.3	Very high	29 Å²	29	64.6 Å²	64.6	30%	0.299	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	155.3	179.1	0	0	0	0	0	112.9	I156 F166 S167	I156-G158 WeakPolarHBondContact CG2-O 3.22Å; G158-F166 CarbonylContact O-C 3.25Å; G158-F166 VanDerWaalsContact O-CA 3.28Å; G158-F166 WeakPolarHBondContact O-CA 3.14Å; G158-S167 PolarHBondContact N-O 3.02Å; G158-S167 PolarHBondContact N-OG 3.4Å; G158-S167 PolarHBondContact O-N 2.88Å; G158-S167 PolarHBondContact O-OG 2.86Å
159	T	90.4	Very high	90.1	Very high	99 Å²	99	62.5 Å²	62.5	61%	0.607	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.4	177.8	52.4	0	0	0	0	110.2	I156 S165 F166	I156-T159 HydrophobicContact CG2-CG2 3.91Å; T159-S165 CarbonylContact C-O 3.56Å; T159-S165 WeakPolarHBondContact CA-O 3.39Å; T159-F166 HydrophobicContact CG2-CB 4.35Å
160	C	89.3	Confident	89.8	Confident	31 Å²	31	63.6 Å²	63.6	21%	0.209	40%	0.401	C	S	.	.			trans	-64	153.5	172	72	0	0	0	0	110.3	C162 G163 E164 S165	C160-C162 HydrophobicContact CB-CB 4.48Å; C160-C162 WeakPolarHBondContact CB-SG 2.95Å; C160-C162 PolarHBondContact O-N 3.39Å; C160-C162 VanDerWaalsContact SG-C 3.6Å; C160-C162 VanDerWaalsContact SG-CA 3.58Å; C160-C162 WeakPolarHBondContact SG-CB 3.28Å; C160-C162 PolarHBondContact SG-N 3.26Å; C160-C162 VanDerWaalsContact SG-N 3.4Å; C160-C162 CovalentContact SG-SG 2.08Å; C160-C162 PolarHBondContact SG-SG 2.87Å; C160-G163 PolarHBondContact O-N 2.85Å; C160-G163 PolarHBondContact SG-N 2.84Å; C160-E164 PolarHBondContact SG-N 3.48Å; C160-S165 VanDerWaalsContact CB-OG 3.31Å; C160-S165 WeakPolarHBondContact CB-OG 3.43Å; C160-S165 PolarHBondContact N-O 3.33Å; C160-S165 PolarHBondContact SG-N 3.42Å; C160-S165 VanDerWaalsContact SG-N 3.39Å; C160-S165 PolarHBondContact SG-OG 2.97Å; C160-S165 VanDerWaalsContact SG-OG 3.33Å
161	G	85.6	Confident	89.5	Confident	98 Å²	98	65.7 Å²	65.7	100%	1.01	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.8	171.8	0	0	0	0	0	113.9
162	C	83.7	Confident	89.1	Confident	89 Å²	89	67.8 Å²	67.8	60%	0.601	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-14.1	171.8	48.6	0	0	0	0	115.3	C160 E164	C160-C162 HydrophobicContact CB-CB 4.48Å; C160-C162 WeakPolarHBondContact CB-SG 2.95Å; C160-C162 PolarHBondContact O-N 3.39Å; C160-C162 VanDerWaalsContact SG-C 3.6Å; C160-C162 VanDerWaalsContact SG-CA 3.58Å; C160-C162 WeakPolarHBondContact SG-CB 3.28Å; C160-C162 PolarHBondContact SG-N 3.26Å; C160-C162 VanDerWaalsContact SG-N 3.4Å; C160-C162 CovalentContact SG-SG 2.08Å; C160-C162 PolarHBondContact SG-SG 2.87Å; C162-E164 HydrophobicContact CB-CG 4.47Å; C162-E164 PolarHBondContact O-N 2.82Å
163	G	84.1	Confident	88.8	Confident	61 Å²	61	67.1 Å²	67.1	63%	0.629	43%	0.432	S	S	*	.	S	Bend	trans	74	-8.9	-174.2	0	0	0	0	0	116.3	C160	C160-G163 PolarHBondContact O-N 2.85Å; C160-G163 PolarHBondContact SG-N 2.84Å
164	E	84.8	Confident	88.5	Confident	111 Å²	111	70.8 Å²	70.8	52%	0.519	46%	0.457	S	S	.	.	S	Bend	trans	-87.6	-11.3	-173	-58	-168.8	142.2	0	0	115.8	R93 C160 C162	R93-E164 IonicContact CZ-OE2 3.7Å; R93-E164 IonicContact NH1-OE1 3.43Å; R93-E164 PolarHBondContact NH1-OE1 2.8Å; R93-E164 IonicContact NH1-OE2 2.69Å; R93-E164 PolarHBondContact NH1-OE2 3.49Å; C160-E164 PolarHBondContact SG-N 3.48Å; C162-E164 HydrophobicContact CB-CG 4.47Å; C162-E164 PolarHBondContact O-N 2.82Å
165	S	90.2	Very high	88.2	Confident	8 Å²	8	68.9 Å²	68.9	6%	0.056	44%	0.444	C	S	.	.			trans	-141	152	-177.2	63.7	0	0	0	0	111.6	L98 T159 C160	L98-S165 CarbonylContact O-C 3.52Å; L98-S165 WeakPolarHBondContact O-CA 3.3Å; L98-S165 WeakPolarHBondContact O-CB 3.45Å; T159-S165 CarbonylContact C-O 3.56Å; T159-S165 WeakPolarHBondContact CA-O 3.39Å; C160-S165 VanDerWaalsContact CB-OG 3.31Å; C160-S165 WeakPolarHBondContact CB-OG 3.43Å; C160-S165 PolarHBondContact N-O 3.33Å; C160-S165 PolarHBondContact SG-N 3.42Å; C160-S165 VanDerWaalsContact SG-N 3.39Å; C160-S165 PolarHBondContact SG-OG 2.97Å; C160-S165 VanDerWaalsContact SG-OG 3.33Å
166	F	90.2	Very high	88	Confident	16 Å²	16	67.3 Å²	67.3	7%	0.07	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	160.6	-174.4	63.8	-91.3	0	0	0	112.2	L98 Y100 I156 G158 T159 V168	L98-F166 HydrophobicContact CB-CD2 4.38Å; L98-F166 HydrophobicContact CB-CE1 4.33Å; L98-F166 HydrophobicContact CB-CE2 3.93Å; L98-F166 HydrophobicContact CB-CZ 3.89Å; L98-F166 HydrophobicContact CD1-CE2 4.43Å; L98-F166 PolarHBondContact N-O 2.69Å; L98-F166 WeakPolarHBondContact O-CD1 3.43Å; L98-F166 WeakPolarHBondContact O-CE1 3.46Å; L98-F166 PolarHBondContact O-N 3.17Å; Y100-F166 HydrophobicContact CD1-CE1 4.35Å; Y100-F166 HydrophobicContact CD1-CZ 4.08Å; Y100-F166 AromaticContact CD2-CE1 3.54Å; Y100-F166 HydrophobicContact CD2-CE1 3.54Å; Y100-F166 AromaticContact CD2-CZ 3.95Å; Y100-F166 HydrophobicContact CD2-CZ 3.95Å; Y100-F166 HydrophobicContact CE1-CE1 4.19Å; Y100-F166 HydrophobicContact CE1-CE2 4.49Å; Y100-F166 AromaticContact CE1-CZ 3.57Å; Y100-F166 HydrophobicContact CE1-CZ 3.57Å; Y100-F166 HydrophobicContact CE2-CD1 4.25Å; Y100-F166 AromaticContact CE2-CE1 3.36Å; Y100-F166 HydrophobicContact CE2-CE1 3.36Å; Y100-F166 HydrophobicContact CE2-CE2 4.37Å; Y100-F166 AromaticContact CE2-CZ 3.45Å; Y100-F166 HydrophobicContact CE2-CZ 3.45Å; Y100-F166 VanDerWaalsContact CE2-CZ 3.45Å; Y100-F166 HydrophobicContact CG-CE1 4.05Å; Y100-F166 HydrophobicContact CG-CZ 4.25Å; Y100-F166 AromaticContact CZ-CE1 3.71Å; Y100-F166 AromaticContact CZ-CE2 4Å; Y100-F166 AromaticContact CZ-CZ 3.24Å; I156-F166 HydrophobicContact CD1-CB 4.06Å; I156-F166 HydrophobicContact CD1-CD2 4.37Å; I156-F166 HydrophobicContact CD1-CG 4.12Å; I156-F166 HydrophobicContact CG1-CB 4.21Å; I156-F166 HydrophobicContact CG1-CD2 4.07Å; I156-F166 HydrophobicContact CG1-CG 4.27Å; I156-F166 HydrophobicContact CG2-CB 4.01Å; G158-F166 CarbonylContact O-C 3.25Å; G158-F166 VanDerWaalsContact O-CA 3.28Å; G158-F166 WeakPolarHBondContact O-CA 3.14Å; T159-F166 HydrophobicContact CG2-CB 4.35Å; F166-V168 HydrophobicContact CD2-CG1 3.83Å; F166-V168 HydrophobicContact CE2-CG1 3.78Å
167	S	88	Confident	87.6	Confident	51 Å²	51	68.6 Å²	68.6	36%	0.357	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	141.8	165.9	60	0	0	0	0	109.8	K157 G158	K157-S167 PolarHBondContact N-O 2.86Å; G158-S167 PolarHBondContact N-O 3.02Å; G158-S167 PolarHBondContact N-OG 3.4Å; G158-S167 PolarHBondContact O-N 2.88Å; G158-S167 PolarHBondContact O-OG 2.86Å
168	V	84.7	Confident	87.3	Confident	67 Å²	67	60 Å²	60	41%	0.406	43%	0.433	S	S	.	.			trans	-111.3	0	176.9	-69.9	0	0	0	0	112.2	L98 T132 I156 K157 F166	L98-V168 HydrophobicContact CD1-CG2 4.5Å; T132-V168 HydrophobicContact CG2-CG1 4.32Å; T132-V168 HydrophobicContact CG2-CG2 3.88Å; I156-V168 HydrophobicContact CG1-CG1 4.45Å; K157-V168 VanDerWaalsContact CD-OXT 3.3Å; K157-V168 WeakPolarHBondContact CD-OXT 3.14Å; K157-V168 WeakPolarHBondContact CE-OXT 3.34Å; K157-V168 WeakPolarHBondContact CG-OXT 3.35Å; K157-V168 PolarHBondContact NZ-O 3.16Å; K157-V168 PolarHBondContact NZ-OXT 3.22Å; F166-V168 HydrophobicContact CD2-CG1 3.83Å; F166-V168 HydrophobicContact CE2-CG1 3.78Å

Retrieved 168 of 168 residues in 80.5 ms (Link to these results)

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