A0A5K4F8U6_SCHMA Loading...

C1q domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8U6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 234 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	34.3	Very low	35.3	Very low	234 Å²	234	171.8 Å²	171.8	100%	1.153	87%	0.87	S	S	*	*				0	115.8	0	-75.3	122.2	64.4	0	0	109
2	N	35.1	Very low	35.5	Very low	165 Å²	165	169 Å²	169	88%	0.882	86%	0.856	S	S	*	*			trans	-139.4	116.2	168.7	-99.3	-17.3	0	0	0	109
3	K	33.4	Very low	35.7	Very low	214 Å²	214	171.5 Å²	171.5	93%	0.93	86%	0.858	S	S	*	*			trans	-116.6	105.7	170.3	-85.2	-177.1	174.1	177.2	0	107.7
4	T	35.6	Very low	35.7	Very low	139 Å²	139	168.6 Å²	168.6	85%	0.853	85%	0.853	S	S	*	*			trans	-115.2	151.1	168.5	33.7	0	0	0	0	110.1
5	K	41	Very low	36.1	Very low	206 Å²	206	163.3 Å²	163.3	90%	0.896	85%	0.846	S	S	*	*			trans	-75.5	149.3	-157.8	-74.1	175.3	173.2	176	0	114.1
6	K	34.8	Very low	36.7	Very low	185 Å²	185	161.3 Å²	161.3	80%	0.804	85%	0.846	S	S	*	*			trans	-62.8	144.8	162.6	-70.1	-179.7	171.3	-174.9	0	111.3
7	L	38.6	Very low	36.9	Very low	172 Å²	172	161.3 Å²	161.3	90%	0.901	85%	0.846	S	S	*	*			trans	-114.9	143.6	141.3	-93.6	86.6	0	0	0	108.6
8	N	33.1	Very low	37.1	Very low	132 Å²	132	161.4 Å²	161.4	71%	0.706	85%	0.847	S	S	*	*			trans	-93.4	145.6	176.1	-71.8	-24.6	0	0	0	110.2
9	L	34	Very low	37.5	Very low	169 Å²	169	161.5 Å²	161.5	89%	0.885	85%	0.847	S	S	*	*			trans	-139.5	125.9	156.1	-142.7	77.2	0	0	0	108.8
10	N	32.6	Very low	37.7	Very low	147 Å²	147	159.1 Å²	159.1	79%	0.786	84%	0.844	S	S	*	*			trans	-90.2	137.8	-178.8	-79	-23.1	0	0	0	110.7
11	V	36.5	Very low	37.9	Very low	127 Å²	127	159 Å²	159	77%	0.77	84%	0.843	S	S	*	*			trans	-136	131.8	160.8	-177.4	0	0	0	0	108.1	F13	V11-F13 HydrophobicContact CG1-CD2 4.39Å; V11-F13 HydrophobicContact CG1-CE2 4.48Å
12	I	37.2	Very low	38.3	Very low	138 Å²	138	156.2 Å²	156.2	71%	0.708	83%	0.832	S	S	*	*			trans	-115.1	137.5	-174.2	-64.9	169.7	0	0	0	108.6	V14	I12-V14 HydrophobicContact CG2-CG2 4.37Å
13	F	37.6	Very low	38.6	Very low	201 Å²	201	156 Å²	156	88%	0.882	83%	0.83	S	S	*	*			trans	-133.2	145	168.4	-99.7	-92.7	0	0	0	110.3	V11	V11-F13 HydrophobicContact CG1-CD2 4.39Å; V11-F13 HydrophobicContact CG1-CE2 4.48Å
14	V	36.6	Very low	39	Very low	131 Å²	131	154.1 Å²	154.1	79%	0.794	83%	0.829	S	S	*	*			trans	-116.6	148	-164.6	176.6	0	0	0	0	111.4	I12	I12-V14 HydrophobicContact CG2-CG2 4.37Å
15	A	42.2	Very low	39.5	Very low	89 Å²	89	153.1 Å²	153.1	74%	0.736	83%	0.825	S	S	*	*			trans	-109.5	154.3	-178.8	0	0	0	0	0	113.3
16	P	44.5	Very low	39.4	Very low	132 Å²	132	149.4 Å²	149.4	86%	0.857	82%	0.824	S	S	*	*			trans	-109.2	174.9	174.8	39	-31.2	0	0	0	115.1
17	L	40	Very low	40.1	Very low	161 Å²	161	147.8 Å²	147.8	84%	0.843	82%	0.824	S	S	*	*			trans	-141.7	146.8	-151.9	-167.5	97.8	0	0	0	113.7
18	L	40.2	Very low	40.6	Very low	163 Å²	163	145.2 Å²	145.2	85%	0.853	82%	0.816	S	S	*	*			trans	-131.7	148.4	157.7	-90.6	74.9	0	0	0	107.7
19	L	45.1	Very low	41.5	Very low	164 Å²	164	144.6 Å²	144.6	86%	0.859	82%	0.816	S	S	*	*			cis	102.2	141.8	10.7	-146.3	75.7	0	0	0	116.4
20	S	42.8	Very low	42.4	Very low	113 Å²	113	144.7 Å²	144.7	79%	0.79	81%	0.812	S	S	*	*			trans	-147	166.3	-165.7	54	0	0	0	0	114.4
21	L	40.9	Very low	43.3	Very low	157 Å²	157	143.8 Å²	143.8	82%	0.822	81%	0.806	S	S	*	*			trans	-98.1	156.6	-171.4	-73.5	87.3	0	0	0	115.6
22	L	42	Very low	44.3	Very low	176 Å²	176	146 Å²	146	92%	0.921	81%	0.808	S	S	*	*			trans	-140.5	149.7	162.5	-89.2	160	0	0	0	110.2
23	L	41.8	Very low	45.1	Very low	160 Å²	160	148 Å²	148	84%	0.838	81%	0.811	S	S	*	*			trans	-130.5	146.6	-173.6	-73.4	166.1	0	0	0	112.2
24	L	42.4	Very low	46.1	Very low	174 Å²	174	146.3 Å²	146.3	91%	0.911	81%	0.812	S	S	*	*			trans	-107.1	134.8	178.9	-81.1	159.3	0	0	0	111.4
25	P	45.4	Very low	47.1	Very low	119 Å²	119	147.3 Å²	147.3	77%	0.773	81%	0.811	S	S	*	*			trans	-84.2	134.4	-179.9	32.3	-33.3	0	0	0	112.8
26	C	39.7	Very low	47.7	Very low	127 Å²	127	148.1 Å²	148.1	86%	0.858	81%	0.811	S	S	*	*			trans	-110.4	118.5	173.2	-169.3	0	0	0	0	109.3
27	N	48.7	Very low	48.1	Very low	152 Å²	152	150.6 Å²	150.6	81%	0.813	81%	0.812	S	S	*	*			trans	-88.6	120.5	-173.4	-98.5	-6.1	0	0	0	113
28	T	49.5	Very low	48.7	Very low	118 Å²	118	149.1 Å²	149.1	72%	0.724	81%	0.814	S	S	*	*			trans	61.4	90.5	153.4	-33.3	0	0	0	0	117.9
29	T	51.8	Low	49.1	Very low	118 Å²	118	145.4 Å²	145.4	72%	0.724	80%	0.802	S	S	*	*			trans	-87.8	116.1	162.2	44.9	0	0	0	0	110.9	I31	T29-I31 PolarHBondContact O-N 3.35Å
30	H	52.5	Low	49.6	Very low	172 Å²	172	143.9 Å²	143.9	80%	0.796	81%	0.805	S	S	*	*			trans	-86.1	95.4	178.9	-146.8	-86.3	0	0	0	110.8	Q32	H30-Q32 PolarHBondContact O-N 3.44Å
31	I	52.6	Low	50.1	Low	128 Å²	128	142.3 Å²	142.3	66%	0.656	79%	0.791	S	S	*	*			trans	-91.3	101.4	-178.1	-55.9	176.5	0	0	0	110.2	T29	T29-I31 PolarHBondContact O-N 3.35Å
32	Q	57.7	Low	50.7	Low	174 Å²	174	140.3 Å²	140.3	81%	0.813	79%	0.789	S	S	*	*			trans	-83.8	133.4	167.4	-79.7	179.8	-50.9	0	0	111.1	H30	H30-Q32 PolarHBondContact O-N 3.44Å
33	K	52.9	Low	51.6	Low	179 Å²	179	140.3 Å²	140.3	78%	0.778	78%	0.784	S	S	*	*			trans	-110.2	100.8	176	-66.9	178.6	-179.6	176	0	109.8
34	N	58.7	Low	52.5	Low	166 Å²	166	137.7 Å²	137.7	89%	0.888	77%	0.77	S	S	*	*			trans	-93.6	110.6	164.9	-96.4	-6.9	0	0	0	109.1
35	I	57.3	Low	53.5	Low	151 Å²	151	136.2 Å²	136.2	77%	0.774	76%	0.759	S	S	*	*			trans	-97.9	90.8	176.3	-58	172.7	0	0	0	107.5
36	S	55.7	Low	54.1	Low	107 Å²	107	134.8 Å²	134.8	75%	0.748	74%	0.744	S	S	*	*			trans	-74.6	128.9	166.8	44.3	0	0	0	0	109.7
37	Q	52.2	Low	55	Low	184 Å²	184	132.5 Å²	132.5	86%	0.86	72%	0.721	S	S	*	*	S	Bend	trans	-71.1	156.6	175.1	-65.9	170.2	-21.6	0	0	110.5
38	S	53.2	Low	55.5	Low	129 Å²	129	129.4 Å²	129.4	90%	0.902	71%	0.71	S	S	*	*	S	Bend	trans	93.9	14	165.8	-145.3	0	0	0	0	120.4
39	S	47.5	Very low	55.9	Low	86 Å²	86	129.4 Å²	129.4	60%	0.601	71%	0.705	S	S	*	*			trans	-151.9	145.9	154.8	58.1	0	0	0	0	112.3	T41	S39-T41 PolarHBondContact O-N 3.19Å; S39-T41 PolarHBondContact OG-OG1 2.64Å
40	S	55.6	Low	56.3	Low	132 Å²	132	125.7 Å²	125.7	92%	0.923	69%	0.69	S	S	*	*	S	Bend	trans	-76.9	36.3	-175.9	51.9	0	0	0	0	113.7
41	T	54.6	Low	56.5	Low	80 Å²	80	122.2 Å²	122.2	49%	0.491	69%	0.691	S	S	.	*			trans	-128	93.9	-174.3	56.5	0	0	0	0	111	S39 Q43	S39-T41 PolarHBondContact O-N 3.19Å; S39-T41 PolarHBondContact OG-OG1 2.64Å; T41-Q43 PolarHBondContact O-N 3.37Å
42	C	53.4	Low	56.6	Low	114 Å²	114	119 Å²	119	77%	0.77	68%	0.68	S	S	*	*			trans	-68.8	112.6	167.6	-63.7	0	0	0	0	109.5
43	Q	59.9	Low	56.6	Low	176 Å²	176	117.2 Å²	117.2	82%	0.822	69%	0.686	S	S	*	*			trans	-93.7	120.4	170.8	-65.7	-172.4	3	0	0	109.6	T41	T41-Q43 PolarHBondContact O-N 3.37Å
44	L	60.4	Low	56.9	Low	105 Å²	105	113.8 Å²	113.8	55%	0.55	69%	0.685	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.6	114	172.6	-176.8	69.5	0	0	0	108.5
45	Q	62.9	Low	56.5	Low	143 Å²	143	107.8 Å²	107.8	67%	0.668	66%	0.663	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.9	118.6	175.3	-174.7	172.5	-53.2	0	0	109.9
46	L	58.4	Low	56.5	Low	90 Å²	90	109.9 Å²	109.9	47%	0.471	66%	0.662	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.4	122.8	170.7	-67.2	165.4	0	0	0	108.2
47	E	58.7	Low	56.2	Low	78 Å²	78	107 Å²	107	36%	0.364	65%	0.649	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.6	104	174.5	-172	160.4	-158.1	0	0	109	R58	E47-R58 WeakPolarHBondContact OE1-CD 3.41Å; E47-R58 IonicContact OE1-NE 3.33Å; E47-R58 PolarHBondContact OE1-NE 2.88Å
48	C	59.2	Low	56.5	Low	88 Å²	88	106.6 Å²	106.6	60%	0.595	64%	0.64	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.7	119	176.4	-65.4	0	0	0	0	109.4
49	I	59.2	Low	56.9	Low	117 Å²	117	104.9 Å²	104.9	60%	0.6	62%	0.624	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.8	103.5	173.9	-55.5	175.1	0	0	0	107.3	Y56	I49-Y56 HydrophobicContact CG2-CD1 4.11Å
50	G	59.7	Low	57.3	Low	40 Å²	40	108.9 Å²	108.9	41%	0.412	63%	0.626	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.2	135.6	176.5	0	0	0	0	0	111.7	S52	G50-S52 PolarHBondContact O-N 3.5Å
51	A	57.5	Low	57.7	Low	100 Å²	100	107.3 Å²	107.3	83%	0.826	61%	0.606	S	S	*	*			trans	-75.9	104	165.2	0	0	0	0	0	109
52	S	53.1	Low	57.9	Low	61 Å²	61	109.3 Å²	109.3	43%	0.427	62%	0.62	S	S	.	*			trans	-96.2	151.2	167.7	-177.2	0	0	0	0	109.8	G50 S54 G55	G50-S52 PolarHBondContact O-N 3.5Å; S52-S54 PolarHBondContact O-N 2.86Å; S52-S54 PolarHBondContact OG-OG 2.95Å; S52-G55 WeakPolarHBondContact CB-O 3.2Å; S52-G55 PolarHBondContact O-N 2.79Å
53	S	57.4	Low	58.3	Low	135 Å²	135	107 Å²	107	94%	0.944	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-13.1	174.1	50.7	0	0	0	0	113.9
54	S	59.2	Low	58.3	Low	108 Å²	108	110.1 Å²	110.1	76%	0.755	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	10.6	176.1	54.2	0	0	0	0	114.7	S52	S52-S54 PolarHBondContact O-N 2.86Å; S52-S54 PolarHBondContact OG-OG 2.95Å
55	G	50.9	Low	58.4	Low	40 Å²	40	109 Å²	109	41%	0.412	61%	0.608	S	S	.	*	S	Bend	trans	102.4	176.7	179.5	0	0	0	0	0	114.7	S52 G57	S52-G55 WeakPolarHBondContact CB-O 3.2Å; S52-G55 PolarHBondContact O-N 2.79Å; G55-G57 PolarHBondContact O-N 2.9Å
56	Y	57.8	Low	58.2	Low	195 Å²	195	106.9 Å²	106.9	77%	0.765	62%	0.615	S	S	*	*			trans	-71.1	100.2	-169.2	-62.3	-81	0	0	0	113.5	I49	I49-Y56 HydrophobicContact CG2-CD1 4.11Å
57	G	50.2	Low	58.7	Low	46 Å²	46	114.4 Å²	114.4	47%	0.474	64%	0.637	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.6	126.2	167.6	0	0	0	0	0	111.5	G55	G55-G57 PolarHBondContact O-N 2.9Å
58	R	58.5	Low	59.2	Low	176 Å²	176	113.4 Å²	113.4	66%	0.664	65%	0.647	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105	116.6	170.6	-79.1	-178.3	166.7	135.9	-1.3	110.2	E47	E47-R58 WeakPolarHBondContact OE1-CD 3.41Å; E47-R58 IonicContact OE1-NE 3.33Å; E47-R58 PolarHBondContact OE1-NE 2.88Å
59	V	61.6	Low	60.1	Low	93 Å²	93	115.5 Å²	115.5	56%	0.564	66%	0.66	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.9	128.5	171.7	-177.6	0	0	0	0	109	I61	V59-I61 HydrophobicContact CG1-CG1 4.25Å
60	R	55.7	Low	61.1	Low	170 Å²	170	114.6 Å²	114.6	64%	0.642	67%	0.67	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.5	120.4	176.9	-69.3	179.9	175.7	147.7	-1.2	109.4
61	I	62.4	Low	62.2	Low	98 Å²	98	115.6 Å²	115.6	50%	0.503	68%	0.68	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.6	108.4	177.4	-56.5	178.5	0	0	0	108.4	V59 V63	V59-I61 HydrophobicContact CG1-CG1 4.25Å; I61-V63 HydrophobicContact CG2-CG2 4.11Å; I61-V63 PolarHBondContact O-N 2.89Å
62	P	59.2	Low	63.5	Low	122 Å²	122	117.1 Å²	117.1	79%	0.792	68%	0.682	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.8	100.9	178.2	30.1	-32.8	0	0	0	110.7	R64	P62-R64 PolarHBondContact O-N 2.84Å
63	V	62.9	Low	65	Low	66 Å²	66	121 Å²	121	40%	0.4	70%	0.703	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.6	100.9	177.8	-172.6	0	0	0	0	110	I61	I61-V63 HydrophobicContact CG2-CG2 4.11Å; I61-V63 PolarHBondContact O-N 2.89Å
64	R	59.9	Low	66.3	Low	241 Å²	241	117.8 Å²	117.8	91%	0.909	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-84.9	130.1	166	-73.1	-175.6	175.9	-179	-0.7	109.5	P62	P62-R64 PolarHBondContact O-N 2.84Å
65	S	61	Low	67.7	Low	83 Å²	83	122.1 Å²	122.1	58%	0.58	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-71	139.5	175.3	36.9	0	0	0	0	111.6
66	A	59.4	Low	69.3	Low	98 Å²	98	129.1 Å²	129.1	81%	0.81	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-70.5	143.1	176.4	0	0	0	0	0	110.7	G68	A66-G68 PolarHBondContact O-N 3.13Å
67	R	68.3	Low	70.7	Confident	248 Å²	248	122.7 Å²	122.7	94%	0.936	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-65.4	131	174	-168.9	-180	-172.8	-157	1.8	109
68	G	70.4	Confident	72.6	Confident	56 Å²	56	128 Å²	128	58%	0.577	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-57.9	151.6	177.9	0	0	0	0	0	112.4	A66	A66-G68 PolarHBondContact O-N 3.13Å
69	P	78.2	Confident	74.1	Confident	132 Å²	132	125.6 Å²	125.6	86%	0.857	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-59.8	153.3	178.4	26.7	-34.6	0	0	0	111.1
70	A	80.7	Confident	75.5	Confident	98 Å²	98	124.1 Å²	124.1	81%	0.81	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-60.3	148.2	172.1	0	0	0	0	0	110.4
71	G	82.4	Confident	77.2	Confident	61 Å²	61	121.9 Å²	121.9	63%	0.629	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-61.5	156.7	174.5	0	0	0	0	0	111.7	T73	G71-T73 PolarHBondContact O-N 2.95Å
72	P	84.8	Confident	78.5	Confident	133 Å²	133	123.3 Å²	123.3	86%	0.864	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-59.4	139.5	177	26.6	-34.3	0	0	0	110.5
73	T	83.7	Confident	79.9	Confident	143 Å²	143	120.5 Å²	120.5	88%	0.877	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-61.5	138.6	171.5	-54.2	0	0	0	0	109.6	G71	G71-T73 PolarHBondContact O-N 2.95Å
74	G	85.5	Confident	81.2	Confident	67 Å²	67	123.8 Å²	123.8	69%	0.691	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-60.8	154.4	179.6	0	0	0	0	0	113
75	E	87.3	Confident	82.3	Confident	198 Å²	198	123 Å²	123	93%	0.925	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-61.6	136.3	-178.6	-61.7	-174.3	147.8	0	0	111.5	G77	E75-G77 PolarHBondContact O-N 3.31Å
76	Q	86.4	Confident	83.2	Confident	188 Å²	188	121.7 Å²	121.7	88%	0.879	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-70.8	129.5	177.1	-175.2	174.8	4.6	0	0	109.8
77	G	87.2	Confident	84.2	Confident	59 Å²	59	126.6 Å²	126.6	61%	0.608	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-59.9	146.6	174.9	0	0	0	0	0	112.4	E75	E75-G77 PolarHBondContact O-N 3.31Å
78	N	90.1	Very high	84.3	Confident	159 Å²	159	119.4 Å²	119.4	85%	0.85	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-55.1	140.7	-178.1	-69.6	-39.3	0	0	0	112
79	P	88.7	Confident	84.3	Confident	124 Å²	124	122.3 Å²	122.3	81%	0.805	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-53.6	144.9	171.8	-26.4	35.2	0	0	0	112.5
80	G	90.5	Very high	83.6	Confident	62 Å²	62	125.4 Å²	125.4	64%	0.639	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-63.1	160.6	175.2	0	0	0	0	0	112.7
81	P	92.2	Very high	82.7	Confident	123 Å²	123	127.7 Å²	127.7	80%	0.799	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-61	146.7	179.1	26.6	-34.7	0	0	0	111.3
82	P	89.6	Confident	81.7	Confident	129 Å²	129	132.7 Å²	132.7	84%	0.838	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-54.9	141.6	173	-25.6	34.8	0	0	0	112.1
83	G	89.6	Confident	80.4	Confident	62 Å²	62	131.2 Å²	131.2	64%	0.639	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-63.1	160.6	175.2	0	0	0	0	0	112.8	R85	G83-R85 PolarHBondContact O-N 3.04Å
84	P	89.7	Confident	79.4	Confident	135 Å²	135	131 Å²	131	88%	0.877	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-58.8	139.7	177.8	25.8	-34.3	0	0	0	110.9	G86	P84-G86 PolarHBondContact O-N 3.28Å
85	R	81.9	Confident	78.1	Confident	224 Å²	224	138.6 Å²	138.6	85%	0.845	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-63.3	125.6	177.8	-176	175.7	-179.4	158.6	1.5	109.6	G83	G83-R85 PolarHBondContact O-N 3.04Å
86	G	81	Confident	77	Confident	56 Å²	56	135.8 Å²	135.8	58%	0.577	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-58.2	149.3	176.1	0	0	0	0	0	112.5	P84 T88	P84-G86 PolarHBondContact O-N 3.28Å; G86-T88 PolarHBondContact O-N 3.15Å
87	E	80.5	Confident	76.2	Confident	201 Å²	201	132.1 Å²	132.1	94%	0.939	75%	0.752	S	S	*	*			trans	-68	96.2	-177.9	-172.5	170.7	-165	0	0	111
88	T	69.6	Low	75.6	Confident	98 Å²	98	137.7 Å²	137.7	60%	0.601	76%	0.755	S	S	*	*			trans	-78.5	121	165.8	53.2	0	0	0	0	108.3	G86 K90	G86-T88 PolarHBondContact O-N 3.15Å; T88-K90 PolarHBondContact O-N 3.29Å; T88-K90 VanDerWaalsContact O-N 3.13Å
89	T	70.2	Confident	75.4	Confident	116 Å²	116	132.8 Å²	132.8	71%	0.712	73%	0.732	S	S	*	*			trans	-48.4	123.7	165.6	44.2	0	0	0	0	108.5	L91	T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 3.02Å
90	K	63.7	Low	75.3	Confident	197 Å²	197	132.5 Å²	132.5	86%	0.857	73%	0.727	S	S	*	*			trans	-60.7	104	171.7	-75.4	-178.7	179.3	176	0	106.5	T88 Q92	T88-K90 PolarHBondContact O-N 3.29Å; T88-K90 VanDerWaalsContact O-N 3.13Å; K90-Q92 PolarHBondContact O-N 3.09Å
91	L	61.8	Low	75.3	Confident	147 Å²	147	135.5 Å²	135.5	77%	0.77	73%	0.725	S	S	*	*			trans	-54.2	108.4	169.5	-67.9	172.1	0	0	0	106.1	T89	T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 3.02Å
92	Q	62	Low	75.4	Confident	166 Å²	166	131.7 Å²	131.7	78%	0.776	70%	0.695	S	S	*	*			trans	-57.5	135.1	168.3	-64.2	-171.6	19.6	0	0	106	K90 I94	K90-Q92 PolarHBondContact O-N 3.09Å; Q92-I94 WeakPolarHBondContact O-CG1 3.26Å; Q92-I94 PolarHBondContact O-N 3.39Å
93	P	57.7	Low	75.6	Confident	101 Å²	101	130 Å²	130	66%	0.656	68%	0.676	S	S	*	*			trans	-56.4	111.8	178.2	-24.4	34.2	0	0	0	108.8	W95	P93-W95 HydrophobicContact CB-CG 4.36Å; P93-W95 PolarHBondContact O-N 3.47Å
94	I	61.9	Low	76	Confident	139 Å²	139	127.4 Å²	127.4	71%	0.713	65%	0.647	S	S	*	*			trans	-77.3	42.6	-177.9	-40	179.3	0	0	0	109.8	Q92 I96	Q92-I94 WeakPolarHBondContact O-CG1 3.26Å; Q92-I94 PolarHBondContact O-N 3.39Å; I94-I96 HydrophobicContact CG2-CD1 4.28Å; I94-I96 HydrophobicContact CG2-CG1 4.2Å; I94-I96 PolarHBondContact O-N 3.12Å
95	W	57.8	Low	76.4	Confident	226 Å²	226	122.1 Å²	122.1	86%	0.856	61%	0.614	S	S	*	*			trans	-78.8	72.1	165.6	-57.1	118.9	0	0	0	107.4	P93 P97	P93-W95 HydrophobicContact CB-CG 4.36Å; P93-W95 PolarHBondContact O-N 3.47Å; W95-P97 WeakPolarHBondContact O-CD 3.43Å; W95-P97 VanDerWaalsContact O-N 3.13Å
96	I	65.2	Low	77.2	Confident	139 Å²	139	111.7 Å²	111.7	71%	0.713	58%	0.575	S	S	*	*			trans	-62.6	113.3	163.7	-59.4	174.2	0	0	0	105.1	I94 R98	I94-I96 HydrophobicContact CG2-CD1 4.28Å; I94-I96 HydrophobicContact CG2-CG1 4.2Å; I94-I96 PolarHBondContact O-N 3.12Å; I96-R98 PolarHBondContact O-N 3.09Å
97	P	70.3	Confident	78	Confident	111 Å²	111	113.5 Å²	113.5	72%	0.721	57%	0.565	S	S	*	*			trans	-62.8	130	-179.2	26.6	-33.4	0	0	0	108.3	W95 P99	W95-P97 WeakPolarHBondContact O-CD 3.43Å; W95-P97 VanDerWaalsContact O-N 3.13Å; P97-P99 WeakPolarHBondContact O-CD 3.33Å
98	R	74.5	Confident	78.9	Confident	177 Å²	177	104 Å²	104	67%	0.668	52%	0.521	S	S	*	.			trans	-58.1	127.1	176.6	-96.8	-174.4	-74.7	-128.5	-2	109.3	I96 V100 Q103	I96-R98 PolarHBondContact O-N 3.09Å; R98-V100 PolarHBondContact O-N 2.99Å; R98-Q103 PolarHBondContact O-NE2 2.87Å; R98-Q103 VanDerWaalsContact O-NE2 3.15Å
99	P	86	Confident	80.2	Confident	56 Å²	56	99.3 Å²	99.3	36%	0.364	49%	0.492	S	S	.	.			trans	-43.5	137.4	170.1	-32.5	36	0	0	0	111.7	P97 E101 Y102	P97-P99 WeakPolarHBondContact O-CD 3.33Å; P99-E101 HydrophobicContact CB-CG 3.93Å; P99-E101 PolarHBondContact O-N 2.97Å; P99-Y102 HydrophobicContact CB-CD2 3.78Å; P99-Y102 HydrophobicContact CB-CE2 4.02Å; P99-Y102 HydrophobicContact CB-CG 4.48Å; P99-Y102 HydrophobicContact CG-CD2 3.84Å; P99-Y102 HydrophobicContact CG-CE2 3.82Å; P99-Y102 PolarHBondContact O-N 2.9Å
100	V	86.5	Confident	81.6	Confident	118 Å²	118	94 Å²	94	72%	0.715	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-60.6	-30.5	-174	179.6	0	0	0	0	111.4	R98 Y102 Q103	R98-V100 PolarHBondContact O-N 2.99Å; V100-Y102 PolarHBondContact O-N 2.65Å; V100-Q103 WeakPolarHBondContact O-CB 3.48Å; V100-Q103 PolarHBondContact O-N 2.88Å
101	E	89.9	Confident	83.2	Confident	125 Å²	125	86.5 Å²	86.5	58%	0.584	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-60.9	-26.8	174.6	69	-160.8	142.5	0	0	114.4	P99	P99-E101 HydrophobicContact CB-CG 3.93Å; P99-E101 PolarHBondContact O-N 2.97Å
102	Y	93.1	Very high	84.9	Confident	43 Å²	43	86.6 Å²	86.6	17%	0.169	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-91	3.1	175.8	-54.1	-40.1	0	0	0	113	P99 V100 I104 V149 P231 D233	P99-Y102 HydrophobicContact CB-CD2 3.78Å; P99-Y102 HydrophobicContact CB-CE2 4.02Å; P99-Y102 HydrophobicContact CB-CG 4.48Å; P99-Y102 HydrophobicContact CG-CD2 3.84Å; P99-Y102 HydrophobicContact CG-CE2 3.82Å; P99-Y102 PolarHBondContact O-N 2.9Å; V100-Y102 PolarHBondContact O-N 2.65Å; Y102-I104 VanDerWaalsContact C-N 3.31Å; Y102-I104 PolarHBondContact O-N 2.86Å; Y102-I104 VanDerWaalsContact O-N 3.09Å; Y102-V149 HydrophobicContact CD1-CG1 3.91Å; Y102-V149 HydrophobicContact CD1-CG2 4.5Å; Y102-V149 HydrophobicContact CE1-CG1 3.88Å; Y102-P231 HydrophobicContact CD1-CB 3.62Å; Y102-P231 HydrophobicContact CD1-CG 4.27Å; Y102-P231 HydrophobicContact CD2-CB 4.3Å; Y102-P231 HydrophobicContact CD2-CG 4.07Å; Y102-P231 HydrophobicContact CE1-CB 3.64Å; Y102-P231 HydrophobicContact CE1-CG 4.38Å; Y102-P231 HydrophobicContact CE2-CB 4.35Å; Y102-P231 HydrophobicContact CE2-CG 4.23Å; Y102-P231 HydrophobicContact CG-CB 3.96Å; Y102-P231 HydrophobicContact CG-CG 4.11Å; Y102-D233 PolarHBondContact OH-OD1 3.02Å; Y102-D233 PolarHBondContact OH-OD2 3.05Å
103	Q	94.1	Very high	86.6	Confident	94 Å²	94	80.1 Å²	80.1	44%	0.439	40%	0.399	S	S	.	.			trans	-86.6	72.6	177.1	-59.7	-176.2	26.8	0	0	110	R98 V100 L134	R98-Q103 PolarHBondContact O-NE2 2.87Å; R98-Q103 VanDerWaalsContact O-NE2 3.15Å; V100-Q103 WeakPolarHBondContact O-CB 3.48Å; V100-Q103 PolarHBondContact O-N 2.88Å; Q103-L134 CarbonylContact O-C 3.52Å; Q103-L134 VanDerWaalsContact O-CB 3.32Å; Q103-L134 WeakPolarHBondContact O-CB 3.41Å
104	I	97.6	Very high	88.4	Confident	6 Å²	6	76.6 Å²	76.6	3%	0.031	38%	0.375	C	S	.	.			trans	-111.1	114.9	-175.9	-54.6	168.4	0	0	0	109.4	Y102 L134 F145 P148 V149 Y153 Y227 L228	Y102-I104 VanDerWaalsContact C-N 3.31Å; Y102-I104 PolarHBondContact O-N 2.86Å; Y102-I104 VanDerWaalsContact O-N 3.09Å; I104-L134 WeakPolarHBondContact CA-O 3.42Å; I104-F145 HydrophobicContact CG2-CE2 4.26Å; I104-F145 HydrophobicContact CG2-CZ 3.93Å; I104-P148 HydrophobicContact CD1-CB 3.87Å; I104-P148 HydrophobicContact CD1-CG 3.99Å; I104-P148 HydrophobicContact CG1-CG 4.38Å; I104-P148 HydrophobicContact CG2-CG 4.12Å; I104-V149 HydrophobicContact CD1-CB 3.8Å; I104-V149 HydrophobicContact CD1-CG2 3.85Å; I104-Y153 WeakPolarHBondContact CD1-OH 3.38Å; I104-Y153 HydrophobicContact CG2-CE1 3.98Å; I104-Y227 VanDerWaalsContact O-CA 3.3Å; I104-Y227 WeakPolarHBondContact O-CA 3.35Å; I104-L228 HydrophobicContact CB-CB 4.06Å; I104-L228 HydrophobicContact CD1-CD2 4.27Å; I104-L228 PolarHBondContact O-N 2.85Å
105	A	98.2	Very high	89.9	Confident	24 Å²	24	74.8 Å²	74.8	20%	0.198	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	135.1	177.3	0	0	0	0	0	110.8	L132 L134 G226	A105-L132 HydrophobicContact CB-CD2 4.12Å; A105-L134 PolarHBondContact N-O 3.08Å; A105-L134 VanDerWaalsContact N-O 3.16Å; A105-L134 PolarHBondContact O-N 2.95Å; A105-G226 CarbonylContact C-O 3.47Å; A105-G226 WeakPolarHBondContact CA-O 3.39Å
106	F	98.7	Very high	91.6	Very high	5 Å²	5	70.5 Å²	70.5	2%	0.022	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.1	175.7	76.4	-78.9	0	0	0	112.2	T108 L132 Y138 F145 F155 L224 S225 G226	F106-T108 HydrophobicContact CD2-CG2 4.24Å; F106-T108 HydrophobicContact CE2-CG2 4.25Å; F106-L132 CarbonylContact C-O 3.51Å; F106-L132 WeakPolarHBondContact CA-O 3.45Å; F106-L132 WeakPolarHBondContact CB-O 3.35Å; F106-Y138 AromaticContact CD2-CD2 3.9Å; F106-Y138 HydrophobicContact CD2-CD2 3.9Å; F106-Y138 AromaticContact CD2-CG 3.91Å; F106-Y138 HydrophobicContact CD2-CG 3.91Å; F106-Y138 AromaticContact CE2-CD2 3.74Å; F106-Y138 HydrophobicContact CE2-CD2 3.74Å; F106-Y138 HydrophobicContact CE2-CE2 4.29Å; F106-Y138 HydrophobicContact CE2-CG 4.23Å; F106-Y138 HydrophobicContact CZ-CD2 4.45Å; F106-F145 AromaticContact CD1-CD2 3.51Å; F106-F145 HydrophobicContact CD1-CD2 3.51Å; F106-F145 AromaticContact CD1-CE2 3.54Å; F106-F145 HydrophobicContact CD1-CE2 3.54Å; F106-F145 HydrophobicContact CD1-CG 4.37Å; F106-F145 HydrophobicContact CD1-CZ 4.41Å; F106-F145 HydrophobicContact CE1-CB 4.35Å; F106-F145 HydrophobicContact CE1-CD1 4.44Å; F106-F145 AromaticContact CE1-CD2 3.43Å; F106-F145 HydrophobicContact CE1-CD2 3.43Å; F106-F145 VanDerWaalsContact CE1-CD2 3.43Å; F106-F145 AromaticContact CE1-CE2 3.73Å; F106-F145 HydrophobicContact CE1-CE2 3.73Å; F106-F145 AromaticContact CE1-CG 3.83Å; F106-F145 HydrophobicContact CE1-CG 3.83Å; F106-F145 HydrophobicContact CE1-CZ 4.35Å; F106-F145 HydrophobicContact CG-CD2 4.23Å; F106-F145 HydrophobicContact CG-CE2 4.46Å; F106-F145 HydrophobicContact CZ-CB 4.24Å; F106-F145 HydrophobicContact CZ-CD2 4.08Å; F106-F145 HydrophobicContact CZ-CG 4.22Å; F106-F155 HydrophobicContact CE1-CD1 4.08Å; F106-F155 AromaticContact CE1-CE1 3.7Å; F106-F155 HydrophobicContact CE1-CE1 3.7Å; F106-F155 AromaticContact CZ-CD1 3.96Å; F106-F155 HydrophobicContact CZ-CD1 3.96Å; F106-F155 AromaticContact CZ-CE1 3.87Å; F106-F155 HydrophobicContact CZ-CE1 3.87Å; F106-L224 HydrophobicContact CE2-CD2 3.87Å; F106-L224 HydrophobicContact CE2-CG 3.77Å; F106-L224 HydrophobicContact CZ-CD2 4.06Å; F106-L224 HydrophobicContact CZ-CG 3.97Å; F106-S225 VanDerWaalsContact O-CA 3.28Å; F106-S225 WeakPolarHBondContact O-CA 3.33Å; F106-S225 WeakPolarHBondContact O-CB 3.37Å; F106-G226 WeakPolarHBondContact CD1-O 3.17Å; F106-G226 PolarHBondContact N-O 2.91Å; F106-G226 PolarHBondContact O-N 3.21Å; F106-G226 VanDerWaalsContact O-N 3.08Å
107	Y	98.8	Very high	92.9	Very high	95 Å²	95	67.9 Å²	67.9	37%	0.373	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	121.2	174	175.7	-138.5	0	0	0	108.9	M131 L132 M220	Y107-M131 HydrophobicContact CD1-CB 3.68Å; Y107-M131 HydrophobicContact CD1-CG 3.92Å; Y107-M131 HydrophobicContact CE1-CB 4.27Å; Y107-M131 HydrophobicContact CE1-CG 4.02Å; Y107-M131 HydrophobicContact CG-CB 4.42Å; Y107-M131 PolarHBondContact O-N 3.06Å; Y107-L132 PolarHBondContact N-O 3.24Å; Y107-L132 PolarHBondContact O-N 3.38Å; Y107-M220 HydrophobicContact CE1-CE 4.05Å; Y107-M220 HydrophobicContact CE2-CE 4.34Å
108	T	98.8	Very high	93.9	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152.7	-177.9	-172.8	0	0	0	0	111.6	F106 F127 S129 Y138 S223 L224	F106-T108 HydrophobicContact CD2-CG2 4.24Å; F106-T108 HydrophobicContact CE2-CG2 4.25Å; T108-F127 HydrophobicContact CG2-CB 3.57Å; T108-F127 HydrophobicContact CG2-CG 4.35Å; T108-F127 WeakPolarHBondContact OG1-CB 3.26Å; T108-F127 PolarHBondContact OG1-O 3.49Å; T108-S129 WeakPolarHBondContact CA-O 3.32Å; T108-S129 PolarHBondContact OG1-O 2.96Å; T108-Y138 HydrophobicContact CG2-CD1 4.3Å; T108-Y138 HydrophobicContact CG2-CE1 3.82Å; T108-Y138 HydrophobicContact CG2-CE2 4.15Å; T108-S223 CarbonylContact O-C 3.47Å; T108-S223 VanDerWaalsContact O-CA 3.24Å; T108-S223 WeakPolarHBondContact O-CA 3.44Å; T108-S223 WeakPolarHBondContact O-CB 3.33Å; T108-L224 HydrophobicContact CG2-CB 4.08Å; T108-L224 WeakPolarHBondContact CG2-O 3.41Å; T108-L224 PolarHBondContact N-O 2.77Å; T108-L224 PolarHBondContact O-N 3.48Å; T108-L224 VanDerWaalsContact O-O 3.09Å
109	G	98.5	Very high	94.4	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	163.8	177.3	0	0	0	0	0	112.6	F127 E128 S129 M220 S222	G109-F127 CarbonylContact O-C 3.56Å; G109-E128 PolarHBondContact O-N 2.77Å; G109-S129 PolarHBondContact N-O 2.82Å; G109-S129 VanDerWaalsContact O-CB 3.25Å; G109-S129 WeakPolarHBondContact O-CB 3.31Å; G109-S129 PolarHBondContact O-N 3.27Å; G109-S129 VanDerWaalsContact O-N 3.08Å; G109-M220 VanDerWaalsContact CA-SD 3.58Å; G109-S222 WeakPolarHBondContact CA-O 3.48Å
110	L	98.4	Very high	94.4	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.021	33%	0.327	C	S	.	.			trans	-71.3	129.7	164.1	-70.2	179.6	0	0	0	109.5	I114 I126 F127 E128 L216 G218 H219 M220 S222	L110-I114 HydrophobicContact CD1-CD1 3.8Å; L110-I114 HydrophobicContact CD1-CG1 3.99Å; L110-I114 HydrophobicContact CD2-CD1 4.15Å; L110-I126 WeakPolarHBondContact CD2-O 3.5Å; L110-F127 HydrophobicContact CD2-CD1 4.41Å; L110-F127 HydrophobicContact CD2-CD2 4.08Å; L110-F127 HydrophobicContact CD2-CE2 4.26Å; L110-F127 HydrophobicContact CD2-CG 4.13Å; L110-F127 HydrophobicContact CD2-CZ 4.5Å; L110-F127 HydrophobicContact CG-CD1 4.11Å; L110-F127 HydrophobicContact CG-CE1 4.02Å; L110-F127 HydrophobicContact CG-CE2 4.43Å; L110-F127 HydrophobicContact CG-CG 4.33Å; L110-F127 HydrophobicContact CG-CZ 4.18Å; L110-E128 WeakPolarHBondContact CA-OE2 3.17Å; L110-L216 HydrophobicContact CD1-CB 3.68Å; L110-L216 HydrophobicContact CD1-CD2 3.9Å; L110-L216 HydrophobicContact CD1-CG 4.48Å; L110-G218 CarbonylContact O-C 3.57Å; L110-H219 PolarHBondContact O-N 3.16Å; L110-M220 PolarHBondContact O-N 2.79Å; L110-S222 PolarHBondContact N-O 2.72Å
111	S	97.5	Very high	94.1	Very high	41 Å²	41	67.3 Å²	67.3	29%	0.287	34%	0.335	S	S	.	.	S	Bend	trans	-77.2	-34.5	175.6	85.4	0	0	0	0	112.2	E128 H219	S111-E128 WeakPolarHBondContact CB-OE1 3.39Å; S111-E128 VanDerWaalsContact N-CD 3.33Å; S111-E128 PolarHBondContact N-OE1 2.97Å; S111-E128 PolarHBondContact N-OE2 3.07Å; S111-E128 VanDerWaalsContact OG-CD 3.32Å; S111-E128 PolarHBondContact OG-OE1 2.85Å; S111-H219 PolarHBondContact O-N 2.99Å; S111-H219 PolarHBondContact O-ND1 3.25Å; S111-H219 VanDerWaalsContact O-ND1 3.14Å
112	K	97.3	Very high	93.9	Very high	148 Å²	148	65.8 Å²	65.8	64%	0.643	33%	0.331	S	S	*	.	S	Bend	trans	-129.7	154.9	-178.2	-67.1	173.5	-174.4	174.5	0	111	G218	K112-G218 VanDerWaalsContact C-CA 3.46Å; K112-G218 WeakPolarHBondContact O-CA 3.38Å
113	S	97.5	Very high	93.9	Very high	31 Å²	31	63.7 Å²	63.7	22%	0.217	32%	0.323	C	S	.	.			trans	-67	144.6	174.3	-57.8	0	0	0	0	111.5	E115 L216 G218	S113-E115 WeakPolarHBondContact CB-OE1 3.25Å; S113-E115 PolarHBondContact O-N 2.68Å; S113-L216 CarbonylContact C-O 3.52Å; S113-L216 WeakPolarHBondContact CA-O 3.26Å; S113-G218 PolarHBondContact OG-N 3.34Å
114	I	96.8	Very high	94	Very high	27 Å²	27	61.6 Å²	61.6	14%	0.138	31%	0.313	C	S	.	.			trans	-86.3	90.8	178.2	-59.6	-177.7	0	0	0	108.3	L110 N116 P118 L125 Y214 L216	L110-I114 HydrophobicContact CD1-CD1 3.8Å; L110-I114 HydrophobicContact CD1-CG1 3.99Å; L110-I114 HydrophobicContact CD2-CD1 4.15Å; I114-N116 WeakPolarHBondContact CG2-O 3.45Å; I114-P118 HydrophobicContact CG2-CG 4.47Å; I114-L125 HydrophobicContact CD1-CD2 3.39Å; I114-Y214 WeakPolarHBondContact CB-O 3.31Å; I114-Y214 VanDerWaalsContact CG2-O 3.3Å; I114-Y214 WeakPolarHBondContact CG2-O 3.17Å; I114-L216 HydrophobicContact CD1-CB 4.24Å; I114-L216 HydrophobicContact CG1-CB 4.44Å; I114-L216 PolarHBondContact N-O 2.64Å
115	E	93.4	Very high	94	Very high	100 Å²	100	61.4 Å²	61.4	47%	0.467	31%	0.312	S	S	.	.			trans	-75.8	-40.1	-179.7	-62.8	-58.9	135	0	0	112.5	S113 R215	S113-E115 WeakPolarHBondContact CB-OE1 3.25Å; S113-E115 PolarHBondContact O-N 2.68Å; E115-R215 WeakPolarHBondContact O-CD 3.19Å; E115-R215 PolarHBondContact O-NH1 3.27Å; E115-R215 IonicContact OE2-CZ 2.72Å; E115-R215 VanDerWaalsContact OE2-CZ 3.32Å; E115-R215 IonicContact OE2-NH1 2.6Å; E115-R215 PolarHBondContact OE2-NH1 3.43Å; E115-R215 IonicContact OE2-NH2 2.84Å; E115-R215 PolarHBondContact OE2-NH2 3.45Å; E115-R215 VanDerWaalsContact OE2-NH2 3.17Å
116	N	93.7	Very high	93.9	Very high	136 Å²	136	63.8 Å²	63.8	73%	0.727	32%	0.32	S	S	*	.	S	Bend	trans	-112.9	144.1	-178.1	-64.5	-63.9	0	0	0	110.1	I114 P118	I114-N116 WeakPolarHBondContact CG2-O 3.45Å; N116-P118 WeakPolarHBondContact O-CD 3.5Å
117	K	92.4	Very high	93.9	Very high	85 Å²	85	63.6 Å²	63.6	37%	0.37	32%	0.319	S	S	.	.			trans	-57.3	126.8	174.7	-171.8	-172.9	176.3	-176.9	0	110	D211 Y214	K117-D211 WeakPolarHBondContact CE-OD1 3.36Å; K117-D211 IonicContact NZ-OD1 3.17Å; K117-D211 PolarHBondContact NZ-OD1 2.93Å; K117-Y214 HydrophobicContact CB-CD1 4.09Å; K117-Y214 HydrophobicContact CB-CD2 4Å; K117-Y214 HydrophobicContact CB-CE1 4.16Å; K117-Y214 HydrophobicContact CB-CE2 4.06Å; K117-Y214 HydrophobicContact CB-CG 4.01Å; K117-Y214 HydrophobicContact CG-CD1 4.25Å; K117-Y214 HydrophobicContact CG-CG 4.28Å
118	P	90.3	Very high	93.8	Very high	32 Å²	32	62.5 Å²	62.5	21%	0.208	32%	0.318	C	S	.	.			trans	-46.9	139.1	169.1	-31.1	34.1	0	0	0	113.3	I114 N116 N120 C123 L125	I114-P118 HydrophobicContact CG2-CG 4.47Å; N116-P118 WeakPolarHBondContact O-CD 3.5Å; P118-N120 VanDerWaalsContact C-N 3.27Å; P118-N120 WeakPolarHBondContact CB-OD1 3.32Å; P118-N120 PolarHBondContact O-N 2.82Å; P118-C123 WeakPolarHBondContact CD-SG 3.3Å; P118-L125 HydrophobicContact CG-CD2 4.41Å
119	V	85.7	Confident	93.8	Very high	154 Å²	154	64 Å²	64	93%	0.933	33%	0.328	S	S	*	.	S	Bend	trans	-74.8	-16.6	-173.9	-176.5	0	0	0	0	112.6
120	N	85.7	Confident	93.8	Very high	61 Å²	61	66 Å²	66	33%	0.326	34%	0.34	S	S	.	.	S	Bend	trans	-69	146	177.4	56.2	24.9	0	0	0	111.2	P118 N122 C123 Q124	P118-N120 VanDerWaalsContact C-N 3.27Å; P118-N120 WeakPolarHBondContact CB-OD1 3.32Å; P118-N120 PolarHBondContact O-N 2.82Å; N120-N122 PolarHBondContact O-N 2.81Å; N120-N122 VanDerWaalsContact O-N 3.08Å; N120-C123 PolarHBondContact O-N 3.42Å; N120-C123 WeakPolarHBondContact OD1-CA 3.48Å; N120-C123 PolarHBondContact OD1-N 3.48Å; N120-C123 VanDerWaalsContact OD1-N 3.12Å; N120-Q124 PolarHBondContact ND2-N 2.85Å; N120-Q124 PolarHBondContact ND2-O 2.97Å; N120-Q124 PolarHBondContact OD1-N 2.9Å
121	K	79.2	Confident	93.8	Very high	203 Å²	203	71.2 Å²	71.2	88%	0.883	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.2	-171.9	-76.9	-173.1	175.5	-179	0	114.4
122	N	87.3	Confident	93.8	Very high	92 Å²	92	72.7 Å²	72.7	49%	0.492	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	4.3	-174.5	-57.7	12.3	0	0	0	113.8	N120 Q124 E208	N120-N122 PolarHBondContact O-N 2.81Å; N120-N122 VanDerWaalsContact O-N 3.08Å; N122-Q124 VanDerWaalsContact C-N 3.26Å; N122-Q124 PolarHBondContact O-N 2.81Å; N122-E208 VanDerWaalsContact CB-CD 3.5Å; N122-E208 HydrophobicContact CB-CG 4.14Å; N122-E208 VanDerWaalsContact CB-OE1 3.27Å; N122-E208 WeakPolarHBondContact CB-OE1 3.47Å; N122-E208 PolarHBondContact ND2-OE1 2.81Å; N122-E208 WeakPolarHBondContact O-CB 3.46Å; N122-E208 WeakPolarHBondContact O-CG 3.43Å
123	C	93.3	Very high	93.9	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.353	C	S	.	.			trans	54.4	37.7	-170.6	-158.1	0	0	0	0	114.5	P118 N120 L125 E208 C209	P118-C123 WeakPolarHBondContact CD-SG 3.3Å; N120-C123 PolarHBondContact O-N 3.42Å; N120-C123 WeakPolarHBondContact OD1-CA 3.48Å; N120-C123 PolarHBondContact OD1-N 3.48Å; N120-C123 VanDerWaalsContact OD1-N 3.12Å; C123-L125 PolarHBondContact O-N 3.28Å; C123-E208 WeakPolarHBondContact O-CA 3.5Å; C123-C209 HydrophobicContact CB-CB 3.92Å; C123-C209 WeakPolarHBondContact CB-SG 3.34Å; C123-C209 PolarHBondContact O-N 2.96Å; C123-C209 WeakPolarHBondContact SG-CB 3.39Å; C123-C209 CovalentContact SG-SG 2.01Å; C123-C209 PolarHBondContact SG-SG 3.45Å
124	Q	95.5	Very high	93.9	Very high	49 Å²	49	70.6 Å²	70.6	23%	0.229	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	131.4	177.8	172	-179.4	-0.2	0	0	110.4	N120 N122 T142 E208	N120-Q124 PolarHBondContact ND2-N 2.85Å; N120-Q124 PolarHBondContact ND2-O 2.97Å; N120-Q124 PolarHBondContact OD1-N 2.9Å; N122-Q124 VanDerWaalsContact C-N 3.26Å; N122-Q124 PolarHBondContact O-N 2.81Å; Q124-T142 PolarHBondContact NE2-O 2.91Å; Q124-E208 HydrophobicContact CB-CG 4.34Å
125	L	97.3	Very high	93.8	Very high	3 Å²	3	71.3 Å²	71.3	2%	0.016	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	135.4	-173.9	-63.7	178.4	0	0	0	111.4	I114 P118 C123 F127 V169 L207 C209 L216	I114-L125 HydrophobicContact CD1-CD2 3.39Å; P118-L125 HydrophobicContact CG-CD2 4.41Å; C123-L125 PolarHBondContact O-N 3.28Å; L125-F127 HydrophobicContact CB-CD2 4.16Å; L125-F127 HydrophobicContact CB-CE2 3.71Å; L125-F127 HydrophobicContact CD1-CE2 4.04Å; L125-V169 HydrophobicContact CD1-CG1 3.56Å; L125-L207 HydrophobicContact CB-CB 4.17Å; L125-L207 HydrophobicContact CD1-CB 4.18Å; L125-L207 PolarHBondContact N-O 2.82Å; L125-C209 HydrophobicContact CD1-CB 4.14Å; L125-C209 HydrophobicContact CD2-CB 4Å; L125-C209 HydrophobicContact CG-CB 4.18Å; L125-L216 HydrophobicContact CD1-CD2 3.67Å
126	I	97.1	Very high	94	Very high	73 Å²	73	71.4 Å²	71.4	37%	0.374	39%	0.389	S	S	.	.			trans	-110.5	119.5	175.2	-58.2	167.5	0	0	0	106.9	L110 N140	L110-I126 WeakPolarHBondContact CD2-O 3.5Å; I126-N140 WeakPolarHBondContact CG2-O 3.15Å
127	F	98	Very high	94.2	Very high	1 Å²	1	65.3 Å²	65.3	0%	0.004	36%	0.358	C	S	.	.			trans	-100.9	95.3	175.4	-72.3	-126.4	0	0	0	106.1	T108 G109 L110 L125 Y138 L207 L216 L224	T108-F127 HydrophobicContact CG2-CB 3.57Å; T108-F127 HydrophobicContact CG2-CG 4.35Å; T108-F127 WeakPolarHBondContact OG1-CB 3.26Å; T108-F127 PolarHBondContact OG1-O 3.49Å; G109-F127 CarbonylContact O-C 3.56Å; L110-F127 HydrophobicContact CD2-CD1 4.41Å; L110-F127 HydrophobicContact CD2-CD2 4.08Å; L110-F127 HydrophobicContact CD2-CE2 4.26Å; L110-F127 HydrophobicContact CD2-CG 4.13Å; L110-F127 HydrophobicContact CD2-CZ 4.5Å; L110-F127 HydrophobicContact CG-CD1 4.11Å; L110-F127 HydrophobicContact CG-CE1 4.02Å; L110-F127 HydrophobicContact CG-CE2 4.43Å; L110-F127 HydrophobicContact CG-CG 4.33Å; L110-F127 HydrophobicContact CG-CZ 4.18Å; L125-F127 HydrophobicContact CB-CD2 4.16Å; L125-F127 HydrophobicContact CB-CE2 3.71Å; L125-F127 HydrophobicContact CD1-CE2 4.04Å; F127-Y138 WeakPolarHBondContact CB-OH 3.46Å; F127-Y138 PolarHBondContact N-OH 3.38Å; F127-Y138 WeakPolarHBondContact O-CE1 3.49Å; F127-Y138 PolarHBondContact O-OH 2.8Å; F127-L207 HydrophobicContact CD2-CD1 4.32Å; F127-L207 HydrophobicContact CE1-CD1 4.33Å; F127-L207 HydrophobicContact CE2-CB 4.33Å; F127-L207 HydrophobicContact CE2-CD1 3.49Å; F127-L207 VanDerWaalsContact CE2-CD1 3.49Å; F127-L207 HydrophobicContact CZ-CD1 3.51Å; F127-L216 HydrophobicContact CZ-CD2 4.46Å; F127-L224 HydrophobicContact CD1-CB 4.3Å; F127-L224 HydrophobicContact CE1-CB 4.42Å
128	E	96.9	Very high	94.4	Very high	73 Å²	73	61.6 Å²	61.6	34%	0.341	34%	0.342	S	S	.	.			trans	-79.6	-23.8	-167.1	73.3	-79.4	-141.8	0	0	113.2	G109 L110 S111 V130	G109-E128 PolarHBondContact O-N 2.77Å; L110-E128 WeakPolarHBondContact CA-OE2 3.17Å; S111-E128 WeakPolarHBondContact CB-OE1 3.39Å; S111-E128 VanDerWaalsContact N-CD 3.33Å; S111-E128 PolarHBondContact N-OE1 2.97Å; S111-E128 PolarHBondContact N-OE2 3.07Å; S111-E128 VanDerWaalsContact OG-CD 3.32Å; S111-E128 PolarHBondContact OG-OE1 2.85Å; E128-V130 PolarHBondContact O-N 2.82Å; E128-V130 VanDerWaalsContact O-N 3.17Å
129	S	98.1	Very high	94.8	Very high	30 Å²	30	62.8 Å²	62.8	21%	0.21	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	79.1	-174.4	-172.9	0	0	0	0	111.8	T108 G109 M131 M220	T108-S129 WeakPolarHBondContact CA-O 3.32Å; T108-S129 PolarHBondContact OG1-O 2.96Å; G109-S129 PolarHBondContact N-O 2.82Å; G109-S129 VanDerWaalsContact O-CB 3.25Å; G109-S129 WeakPolarHBondContact O-CB 3.31Å; G109-S129 PolarHBondContact O-N 3.27Å; G109-S129 VanDerWaalsContact O-N 3.08Å; S129-M131 WeakPolarHBondContact OG-CE 3.45Å; S129-M220 PolarHBondContact OG-SD 2.85Å
130	V	98.4	Very high	95.4	Very high	43 Å²	43	59.1 Å²	59.1	26%	0.261	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	118.9	-179	-179.4	0	0	0	0	111.6	E128 L132 N133 Y138 N140	E128-V130 PolarHBondContact O-N 2.82Å; E128-V130 VanDerWaalsContact O-N 3.17Å; V130-L132 WeakPolarHBondContact CG1-O 3.49Å; V130-N133 HydrophobicContact CG1-CB 3.87Å; V130-Y138 HydrophobicContact CG2-CD1 3.86Å; V130-Y138 HydrophobicContact CG2-CE1 4.03Å; V130-N140 HydrophobicContact CG2-CB 3.66Å
131	M	98.3	Very high	95.9	Very high	113 Å²	113	61 Å²	61	56%	0.557	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	-29	174.9	-59	-66.8	98.3	0	0	112.6	Y107 S129 M220	Y107-M131 HydrophobicContact CD1-CB 3.68Å; Y107-M131 HydrophobicContact CD1-CG 3.92Å; Y107-M131 HydrophobicContact CE1-CB 4.27Å; Y107-M131 HydrophobicContact CE1-CG 4.02Å; Y107-M131 HydrophobicContact CG-CB 4.42Å; Y107-M131 PolarHBondContact O-N 3.06Å; S129-M131 WeakPolarHBondContact OG-CE 3.45Å; M131-M220 HydrophobicContact CG-CE 3.6Å; M131-M220 HydrophobicContact SD-CE 4.39Å
132	L	98.5	Very high	96.7	Very high	73 Å²	73	53.8 Å²	53.8	38%	0.382	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	140.8	179.6	-171.1	70.8	0	0	0	109.8	A105 F106 Y107 V130 L134	A105-L132 HydrophobicContact CB-CD2 4.12Å; F106-L132 CarbonylContact C-O 3.51Å; F106-L132 WeakPolarHBondContact CA-O 3.45Å; F106-L132 WeakPolarHBondContact CB-O 3.35Å; Y107-L132 PolarHBondContact N-O 3.24Å; Y107-L132 PolarHBondContact O-N 3.38Å; V130-L132 WeakPolarHBondContact CG1-O 3.49Å; L132-L134 HydrophobicContact CD1-CD1 4.11Å; L132-L134 HydrophobicContact CD1-CD2 4.34Å; L132-L134 HydrophobicContact CD1-CG 3.81Å; L132-L134 HydrophobicContact CD2-CD1 4.34Å; L132-L134 HydrophobicContact CD2-CG 4.48Å; L132-L134 HydrophobicContact CG-CD1 4.46Å; L132-L134 HydrophobicContact CG-CG 4.12Å
133	N	98	Very high	97.2	Very high	51 Å²	51	49.5 Å²	49.5	27%	0.273	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	57	175.5	-164.8	13.6	0	0	0	111.8	V130 S136 G137 Y138	V130-N133 HydrophobicContact CG1-CB 3.87Å; N133-S136 PolarHBondContact O-N 2.86Å; N133-S136 VanDerWaalsContact O-N 3.12Å; N133-G137 PolarHBondContact OD1-N 3.2Å; N133-Y138 PolarHBondContact ND2-O 3.01Å; N133-Y138 PolarHBondContact OD1-N 3.17Å
134	L	97.4	Very high	97.4	Very high	84 Å²	84	50.7 Å²	50.7	44%	0.44	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	135.5	175.4	-60.7	175.7	0	0	0	110.1	Q103 I104 A105 L132 S136	Q103-L134 CarbonylContact O-C 3.52Å; Q103-L134 VanDerWaalsContact O-CB 3.32Å; Q103-L134 WeakPolarHBondContact O-CB 3.41Å; I104-L134 WeakPolarHBondContact CA-O 3.42Å; A105-L134 PolarHBondContact N-O 3.08Å; A105-L134 VanDerWaalsContact N-O 3.16Å; A105-L134 PolarHBondContact O-N 2.95Å; L132-L134 HydrophobicContact CD1-CD1 4.11Å; L132-L134 HydrophobicContact CD1-CD2 4.34Å; L132-L134 HydrophobicContact CD1-CG 3.81Å; L132-L134 HydrophobicContact CD2-CD1 4.34Å; L132-L134 HydrophobicContact CD2-CG 4.48Å; L132-L134 HydrophobicContact CG-CD1 4.46Å; L132-L134 HydrophobicContact CG-CG 4.12Å; L134-S136 PolarHBondContact O-N 3.27Å
135	G	95.5	Very high	97.6	Very high	42 Å²	42	48.4 Å²	48.4	43%	0.433	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-2.4	-169.2	0	0	0	0	0	114.5	G137	G135-G137 PolarHBondContact O-N 2.97Å; G135-G137 VanDerWaalsContact O-N 3.09Å
136	S	96.7	Very high	97.6	Very high	102 Å²	102	50.6 Å²	50.6	71%	0.713	30%	0.295	S	S	*	.	S	Bend	trans	52.5	28.9	177.6	-55	0	0	0	0	114.9	N133 L134	N133-S136 PolarHBondContact O-N 2.86Å; N133-S136 VanDerWaalsContact O-N 3.12Å; L134-S136 PolarHBondContact O-N 3.27Å
137	G	97.6	Very high	97.7	Very high	7 Å²	7	47.2 Å²	47.2	7%	0.072	28%	0.277	C	S	.	.			trans	-75.7	-27.3	-176.8	0	0	0	0	0	113.9	N133 G135 F145 T146	N133-G137 PolarHBondContact OD1-N 3.2Å; G135-G137 PolarHBondContact O-N 2.97Å; G135-G137 VanDerWaalsContact O-N 3.09Å; G137-F145 VanDerWaalsContact C-CD2 3.48Å; G137-F145 CarbonylContact O-C 3.56Å; G137-F145 VanDerWaalsContact O-CA 3.32Å; G137-F145 WeakPolarHBondContact O-CA 3.27Å; G137-T146 WeakPolarHBondContact CA-O 3.41Å; G137-T146 PolarHBondContact O-N 2.87Å
138	Y	98.7	Very high	97.6	Very high	8 Å²	8	48.7 Å²	48.7	3%	0.031	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-89.6	128.4	179.6	-169.9	-101.1	0	0	0	111.9	F106 T108 F127 V130 N133 N140 G143 F145 L224	F106-Y138 AromaticContact CD2-CD2 3.9Å; F106-Y138 HydrophobicContact CD2-CD2 3.9Å; F106-Y138 AromaticContact CD2-CG 3.91Å; F106-Y138 HydrophobicContact CD2-CG 3.91Å; F106-Y138 AromaticContact CE2-CD2 3.74Å; F106-Y138 HydrophobicContact CE2-CD2 3.74Å; F106-Y138 HydrophobicContact CE2-CE2 4.29Å; F106-Y138 HydrophobicContact CE2-CG 4.23Å; F106-Y138 HydrophobicContact CZ-CD2 4.45Å; T108-Y138 HydrophobicContact CG2-CD1 4.3Å; T108-Y138 HydrophobicContact CG2-CE1 3.82Å; T108-Y138 HydrophobicContact CG2-CE2 4.15Å; F127-Y138 WeakPolarHBondContact CB-OH 3.46Å; F127-Y138 PolarHBondContact N-OH 3.38Å; F127-Y138 WeakPolarHBondContact O-CE1 3.49Å; F127-Y138 PolarHBondContact O-OH 2.8Å; V130-Y138 HydrophobicContact CG2-CD1 3.86Å; V130-Y138 HydrophobicContact CG2-CE1 4.03Å; N133-Y138 PolarHBondContact ND2-O 3.01Å; N133-Y138 PolarHBondContact OD1-N 3.17Å; Y138-N140 HydrophobicContact CD1-CB 4.42Å; Y138-N140 HydrophobicContact CE1-CB 4.1Å; Y138-G143 WeakPolarHBondContact CE2-O 3.41Å; Y138-G143 VanDerWaalsContact OH-CA 3.32Å; Y138-G143 WeakPolarHBondContact OH-CA 3.4Å; Y138-F145 HydrophobicContact CD2-CB 4.11Å; Y138-L224 HydrophobicContact CE2-CD2 4.29Å
139	D	98.3	Very high	97.6	Very high	57 Å²	57	46.3 Å²	46.3	31%	0.305	28%	0.278	S	S	.	.			trans	-103.8	115.4	171.4	172.1	11.1	0	0	0	110.1	T141 T142 G143 I144	D139-T141 VanDerWaalsContact C-N 3.28Å; D139-T141 PolarHBondContact O-N 3.38Å; D139-T141 WeakPolarHBondContact OD1-CA 3.33Å; D139-T141 WeakPolarHBondContact OD1-CB 3.46Å; D139-T141 PolarHBondContact OD1-N 3.12Å; D139-T141 PolarHBondContact OD1-OG1 2.99Å; D139-T141 PolarHBondContact OD2-OG1 3.48Å; D139-T142 WeakPolarHBondContact CB-OG1 3.32Å; D139-T142 WeakPolarHBondContact OD2-CB 3.28Å; D139-T142 WeakPolarHBondContact OD2-CG2 3.33Å; D139-T142 PolarHBondContact OD2-OG1 3.31Å; D139-G143 VanDerWaalsContact O-CA 3.31Å; D139-G143 WeakPolarHBondContact O-CA 3.18Å; D139-G143 PolarHBondContact O-N 2.86Å; D139-I144 PolarHBondContact N-O 3.08Å; D139-I144 PolarHBondContact O-N 2.91Å
140	N	97.3	Very high	97.5	Very high	77 Å²	77	45.6 Å²	45.6	41%	0.412	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-2.4	-178.9	70.9	-15.8	0	0	0	114.5	I126 V130 Y138	I126-N140 WeakPolarHBondContact CG2-O 3.15Å; V130-N140 HydrophobicContact CG2-CB 3.66Å; Y138-N140 HydrophobicContact CD1-CB 4.42Å; Y138-N140 HydrophobicContact CE1-CB 4.1Å
141	T	96.5	Very high	97.5	Very high	99 Å²	99	43.7 Å²	43.7	61%	0.607	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-33.3	173.3	71.4	0	0	0	0	112	D139	D139-T141 VanDerWaalsContact C-N 3.28Å; D139-T141 PolarHBondContact O-N 3.38Å; D139-T141 WeakPolarHBondContact OD1-CA 3.33Å; D139-T141 WeakPolarHBondContact OD1-CB 3.46Å; D139-T141 PolarHBondContact OD1-N 3.12Å; D139-T141 PolarHBondContact OD1-OG1 2.99Å; D139-T141 PolarHBondContact OD2-OG1 3.48Å
142	T	96.1	Very high	97.5	Very high	53 Å²	53	40.1 Å²	40.1	33%	0.325	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-19.7	177.5	60	0	0	0	0	113.6	Q124 D139 I144	Q124-T142 PolarHBondContact NE2-O 2.91Å; D139-T142 WeakPolarHBondContact CB-OG1 3.32Å; D139-T142 WeakPolarHBondContact OD2-CB 3.28Å; D139-T142 WeakPolarHBondContact OD2-CG2 3.33Å; D139-T142 PolarHBondContact OD2-OG1 3.31Å; T142-I144 VanDerWaalsContact C-N 3.29Å; T142-I144 PolarHBondContact OG1-N 2.94Å
143	G	97.2	Very high	97.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.01	23%	0.228	C	C	.	.			trans	79	9.2	-174.7	0	0	0	0	0	114.4	Y138 D139	Y138-G143 WeakPolarHBondContact CE2-O 3.41Å; Y138-G143 VanDerWaalsContact OH-CA 3.32Å; Y138-G143 WeakPolarHBondContact OH-CA 3.4Å; D139-G143 VanDerWaalsContact O-CA 3.31Å; D139-G143 WeakPolarHBondContact O-CA 3.18Å; D139-G143 PolarHBondContact O-N 2.86Å
144	I	98.3	Very high	97.5	Very high	26 Å²	26	34.7 Å²	34.7	13%	0.133	22%	0.217	C	C	.	.			trans	-99.2	133.1	-173.6	-56.3	175.5	0	0	0	110.2	D139 T142 Q204 W206	D139-I144 PolarHBondContact N-O 3.08Å; D139-I144 PolarHBondContact O-N 2.91Å; T142-I144 VanDerWaalsContact C-N 3.29Å; T142-I144 PolarHBondContact OG1-N 2.94Å; I144-Q204 HydrophobicContact CG2-CB 3.87Å; I144-Q204 HydrophobicContact CG2-CG 3.99Å; I144-W206 HydrophobicContact CG1-CB 4.2Å
145	F	98.7	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	115.9	161.9	179.2	-98.3	0	0	0	109.6	I104 F106 G137 Y138 V147 Y153 F155 Q204 I205	I104-F145 HydrophobicContact CG2-CE2 4.26Å; I104-F145 HydrophobicContact CG2-CZ 3.93Å; F106-F145 AromaticContact CD1-CD2 3.51Å; F106-F145 HydrophobicContact CD1-CD2 3.51Å; F106-F145 AromaticContact CD1-CE2 3.54Å; F106-F145 HydrophobicContact CD1-CE2 3.54Å; F106-F145 HydrophobicContact CD1-CG 4.37Å; F106-F145 HydrophobicContact CD1-CZ 4.41Å; F106-F145 HydrophobicContact CE1-CB 4.35Å; F106-F145 HydrophobicContact CE1-CD1 4.44Å; F106-F145 AromaticContact CE1-CD2 3.43Å; F106-F145 HydrophobicContact CE1-CD2 3.43Å; F106-F145 VanDerWaalsContact CE1-CD2 3.43Å; F106-F145 AromaticContact CE1-CE2 3.73Å; F106-F145 HydrophobicContact CE1-CE2 3.73Å; F106-F145 AromaticContact CE1-CG 3.83Å; F106-F145 HydrophobicContact CE1-CG 3.83Å; F106-F145 HydrophobicContact CE1-CZ 4.35Å; F106-F145 HydrophobicContact CG-CD2 4.23Å; F106-F145 HydrophobicContact CG-CE2 4.46Å; F106-F145 HydrophobicContact CZ-CB 4.24Å; F106-F145 HydrophobicContact CZ-CD2 4.08Å; F106-F145 HydrophobicContact CZ-CG 4.22Å; G137-F145 VanDerWaalsContact C-CD2 3.48Å; G137-F145 CarbonylContact O-C 3.56Å; G137-F145 VanDerWaalsContact O-CA 3.32Å; G137-F145 WeakPolarHBondContact O-CA 3.27Å; Y138-F145 HydrophobicContact CD2-CB 4.11Å; F145-V147 HydrophobicContact CD1-CG2 4.16Å; F145-V147 HydrophobicContact CE1-CB 4.49Å; F145-V147 HydrophobicContact CE1-CG2 3.82Å; F145-Y153 HydrophobicContact CE1-CD1 4.24Å; F145-Y153 HydrophobicContact CE1-CE1 4.07Å; F145-Y153 HydrophobicContact CZ-CD1 4.32Å; F145-Y153 AromaticContact CZ-CE1 3.9Å; F145-Y153 HydrophobicContact CZ-CE1 3.9Å; F145-F155 AromaticContact CD1-CE1 3.8Å; F145-F155 HydrophobicContact CD1-CE1 3.8Å; F145-F155 AromaticContact CD1-CZ 3.75Å; F145-F155 HydrophobicContact CD1-CZ 3.75Å; F145-F155 HydrophobicContact CE1-CE1 4.19Å; F145-F155 AromaticContact CE1-CZ 3.87Å; F145-F155 HydrophobicContact CE1-CZ 3.87Å; F145-F155 HydrophobicContact CG-CE1 4.22Å; F145-Q204 WeakPolarHBondContact O-CA 3.4Å; F145-I205 HydrophobicContact CB-CB 4.23Å; F145-I205 HydrophobicContact CD1-CB 4.33Å; F145-I205 HydrophobicContact CD1-CG1 4.38Å; F145-I205 PolarHBondContact N-O 2.97Å; F145-I205 PolarHBondContact O-N 3.05Å
146	T	98.7	Very high	97.7	Very high	50 Å²	50	30.3 Å²	30.3	31%	0.307	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125	171.9	-56.7	0	0	0	0	109.2	G137 P148	G137-T146 WeakPolarHBondContact CA-O 3.41Å; G137-T146 PolarHBondContact O-N 2.87Å; T146-P148 WeakPolarHBondContact O-CD 2.98Å
147	V	98.1	Very high	97.8	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	15%	0.151	C	C	.	.			trans	-68.2	114	-171.4	173.5	0	0	0	0	111.4	F145 V149 Y153 L199 N200 K201 N202 D203	F145-V147 HydrophobicContact CD1-CG2 4.16Å; F145-V147 HydrophobicContact CE1-CB 4.49Å; F145-V147 HydrophobicContact CE1-CG2 3.82Å; V147-V149 WeakPolarHBondContact CG1-O 3.3Å; V147-Y153 HydrophobicContact CG1-CE2 3.64Å; V147-L199 HydrophobicContact CG1-CB 4.14Å; V147-L199 HydrophobicContact CG2-CB 3.83Å; V147-L199 HydrophobicContact CG2-CD1 3.48Å; V147-L199 VanDerWaalsContact CG2-CD1 3.48Å; V147-L199 HydrophobicContact CG2-CG 4.24Å; V147-N200 WeakPolarHBondContact CB-O 3.37Å; V147-N200 VanDerWaalsContact CG1-O 3.25Å; V147-N200 WeakPolarHBondContact CG1-O 3.3Å; V147-K201 WeakPolarHBondContact O-CA 3.45Å; V147-N202 PolarHBondContact O-N 2.88Å; V147-D203 HydrophobicContact CB-CB 4.35Å; V147-D203 WeakPolarHBondContact CB-O 3.48Å; V147-D203 HydrophobicContact CG2-CB 3.97Å; V147-D203 VanDerWaalsContact CG2-O 3.26Å; V147-D203 WeakPolarHBondContact CG2-O 3.4Å; V147-D203 PolarHBondContact N-O 2.63Å
148	P	96.6	Very high	97.9	Very high	32 Å²	32	26.5 Å²	26.5	21%	0.208	16%	0.156	C	C	.	.	S	Bend	trans	-74.2	-33.1	-176.1	-17.8	31.7	0	0	0	113.9	I104 T146 K201	I104-P148 HydrophobicContact CD1-CB 3.87Å; I104-P148 HydrophobicContact CD1-CG 3.99Å; I104-P148 HydrophobicContact CG1-CG 4.38Å; I104-P148 HydrophobicContact CG2-CG 4.12Å; T146-P148 WeakPolarHBondContact O-CD 2.98Å; P148-K201 WeakPolarHBondContact O-CD 3.37Å; P148-K201 VanDerWaalsContact O-CE 3.26Å; P148-K201 WeakPolarHBondContact O-CE 3.29Å; P148-K201 WeakPolarHBondContact O-CG 3.33Å
149	V	96.3	Very high	97.9	Very high	24 Å²	24	26.1 Å²	26.1	15%	0.145	16%	0.155	C	C	.	.	S	Bend	trans	-139.1	138.4	-177	178.6	0	0	0	0	109.5	Y102 I104 V147 Y153	Y102-V149 HydrophobicContact CD1-CG1 3.91Å; Y102-V149 HydrophobicContact CD1-CG2 4.5Å; Y102-V149 HydrophobicContact CE1-CG1 3.88Å; I104-V149 HydrophobicContact CD1-CB 3.8Å; I104-V149 HydrophobicContact CD1-CG2 3.85Å; V147-V149 WeakPolarHBondContact CG1-O 3.3Å; V149-Y153 VanDerWaalsContact O-CE2 3.31Å; V149-Y153 WeakPolarHBondContact O-CE2 3.38Å; V149-Y153 PolarHBondContact O-OH 2.85Å
150	S	97.3	Very high	97.9	Very high	15 Å²	15	23.4 Å²	23.4	11%	0.105	14%	0.14	C	C	.	.			trans	-61.5	143.6	175.5	-61.4	0	0	0	0	111.6	L199 K201 H232	S150-L199 WeakPolarHBondContact CA-O 3.37Å; S150-K201 PolarHBondContact OG-N 2.93Å; S150-H232 WeakPolarHBondContact CB-O 3.43Å; S150-H232 PolarHBondContact O-N 3.14Å
151	G	97.4	Very high	97.9	Very high	2 Å²	2	19.8 Å²	19.8	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.7	-170.3	-179.2	0	0	0	0	0	114.7	Q198 L199 Y230	G151-Q198 WeakPolarHBondContact O-CA 3.08Å; G151-L199 PolarHBondContact N-O 2.8Å; G151-L199 PolarHBondContact O-N 3.19Å; G151-Y230 CarbonylContact C-O 3.51Å; G151-Y230 WeakPolarHBondContact CA-O 3.39Å
152	V	98.1	Very high	98	Very high	39 Å²	39	18.6 Å²	18.6	24%	0.236	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124	172.6	-179	0	0	0	0	108.9	I196 L229 Y230	V152-I196 HydrophobicContact CG1-CG2 3.67Å; V152-L229 HydrophobicContact CG1-CB 4.46Å; V152-L229 HydrophobicContact CG1-CD2 4.18Å; V152-L229 WeakPolarHBondContact O-CA 3.29Å; V152-L229 WeakPolarHBondContact O-CB 3.47Å; V152-L229 PolarHBondContact O-N 3.48Å; V152-Y230 HydrophobicContact CB-CD2 4.26Å; V152-Y230 PolarHBondContact N-O 3.07Å; V152-Y230 PolarHBondContact O-N 3.27Å
153	Y	98.5	Very high	98	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	149.1	178.8	-75.1	-98	0	0	0	111.3	I104 F145 V147 V149 F155 I196 I197 L199 Y227 L228	I104-Y153 WeakPolarHBondContact CD1-OH 3.38Å; I104-Y153 HydrophobicContact CG2-CE1 3.98Å; F145-Y153 HydrophobicContact CE1-CD1 4.24Å; F145-Y153 HydrophobicContact CE1-CE1 4.07Å; F145-Y153 HydrophobicContact CZ-CD1 4.32Å; F145-Y153 AromaticContact CZ-CE1 3.9Å; F145-Y153 HydrophobicContact CZ-CE1 3.9Å; V147-Y153 HydrophobicContact CG1-CE2 3.64Å; V149-Y153 VanDerWaalsContact O-CE2 3.31Å; V149-Y153 WeakPolarHBondContact O-CE2 3.38Å; V149-Y153 PolarHBondContact O-OH 2.85Å; Y153-F155 VanDerWaalsContact CB-CE2 3.48Å; Y153-F155 HydrophobicContact CD1-CZ 4.45Å; Y153-F155 HydrophobicContact CG-CE2 4.29Å; Y153-F155 HydrophobicContact CG-CZ 4.46Å; Y153-I196 WeakPolarHBondContact O-CA 3.48Å; Y153-I197 PolarHBondContact N-O 3.05Å; Y153-I197 PolarHBondContact O-N 3.45Å; Y153-L199 HydrophobicContact CD2-CB 4Å; Y153-L199 HydrophobicContact CD2-CD1 3.97Å; Y153-L199 HydrophobicContact CD2-CG 4.21Å; Y153-L199 HydrophobicContact CE2-CB 4.36Å; Y153-L199 HydrophobicContact CG-CD1 4.14Å; Y153-Y227 WeakPolarHBondContact CA-O 3.13Å; Y153-L228 HydrophobicContact CD1-CB 4.29Å; Y153-L228 HydrophobicContact CD1-CD1 4.49Å; Y153-L228 HydrophobicContact CD2-CD1 4.08Å; Y153-L228 HydrophobicContact CE1-CB 3.84Å; Y153-L228 HydrophobicContact CE1-CD1 4.07Å; Y153-L228 HydrophobicContact CE2-CD1 3.6Å; Y153-L228 HydrophobicContact CG-CD1 4.49Å
154	I	98.6	Very high	97.9	Very high	10 Å²	10	27 Å²	27	5%	0.051	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	135.2	166.3	-69.6	-177	0	0	0	108.2	V156 Q194 A195 I196 G226 Y227 L229	I154-V156 HydrophobicContact CG2-CG2 4.22Å; I154-Q194 HydrophobicContact CG2-CG 4.11Å; I154-A195 WeakPolarHBondContact CA-O 3.33Å; I154-I196 HydrophobicContact CD1-CD1 4.47Å; I154-I196 HydrophobicContact CG1-CG1 4.16Å; I154-I196 HydrophobicContact CG1-CG2 4.28Å; I154-G226 CarbonylContact O-C 3.22Å; I154-G226 WeakPolarHBondContact O-CA 3.18Å; I154-Y227 HydrophobicContact CB-CD1 4.4Å; I154-Y227 HydrophobicContact CB-CD2 4.44Å; I154-Y227 HydrophobicContact CB-CE1 3.98Å; I154-Y227 HydrophobicContact CB-CE2 4.03Å; I154-Y227 HydrophobicContact CD1-CE2 3.83Å; I154-Y227 WeakPolarHBondContact CD1-OH 3.35Å; I154-Y227 HydrophobicContact CG1-CE2 4.28Å; I154-Y227 HydrophobicContact CG2-CD1 4.45Å; I154-Y227 HydrophobicContact CG2-CE1 3.73Å; I154-Y227 PolarHBondContact N-O 3.33Å; I154-Y227 PolarHBondContact O-N 2.88Å; I154-L229 HydrophobicContact CD1-CB 4.48Å; I154-L229 HydrophobicContact CD1-CD1 4.05Å; I154-L229 HydrophobicContact CD1-CD2 4.06Å; I154-L229 HydrophobicContact CD1-CG 4.43Å; I154-L229 HydrophobicContact CG1-CB 4.37Å; I154-L229 HydrophobicContact CG1-CD2 4.35Å
155	F	98.8	Very high	97.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.4	167.6	-64.1	-91.3	0	0	0	109.8	F106 F145 Y153 L171 Q194 A195 I197 L199 I205 S225	F106-F155 HydrophobicContact CE1-CD1 4.08Å; F106-F155 AromaticContact CE1-CE1 3.7Å; F106-F155 HydrophobicContact CE1-CE1 3.7Å; F106-F155 AromaticContact CZ-CD1 3.96Å; F106-F155 HydrophobicContact CZ-CD1 3.96Å; F106-F155 AromaticContact CZ-CE1 3.87Å; F106-F155 HydrophobicContact CZ-CE1 3.87Å; F145-F155 AromaticContact CD1-CE1 3.8Å; F145-F155 HydrophobicContact CD1-CE1 3.8Å; F145-F155 AromaticContact CD1-CZ 3.75Å; F145-F155 HydrophobicContact CD1-CZ 3.75Å; F145-F155 HydrophobicContact CE1-CE1 4.19Å; F145-F155 AromaticContact CE1-CZ 3.87Å; F145-F155 HydrophobicContact CE1-CZ 3.87Å; F145-F155 HydrophobicContact CG-CE1 4.22Å; Y153-F155 VanDerWaalsContact CB-CE2 3.48Å; Y153-F155 HydrophobicContact CD1-CZ 4.45Å; Y153-F155 HydrophobicContact CG-CE2 4.29Å; Y153-F155 HydrophobicContact CG-CZ 4.46Å; F155-L171 HydrophobicContact CB-CD2 3.86Å; F155-L171 HydrophobicContact CG-CD2 4.28Å; F155-Q194 CarbonylContact O-C 3.55Å; F155-Q194 VanDerWaalsContact O-CA 3.31Å; F155-Q194 WeakPolarHBondContact O-CA 3.35Å; F155-Q194 WeakPolarHBondContact O-CG 3.29Å; F155-A195 PolarHBondContact N-O 3.33Å; F155-A195 PolarHBondContact O-N 3.47Å; F155-I197 HydrophobicContact CD2-CD1 3.76Å; F155-I197 HydrophobicContact CD2-CG1 3.95Å; F155-I197 HydrophobicContact CE2-CD1 3.75Å; F155-I197 HydrophobicContact CE2-CG1 3.91Å; F155-L199 HydrophobicContact CE2-CD1 3.69Å; F155-L199 HydrophobicContact CZ-CD1 3.93Å; F155-I205 HydrophobicContact CD1-CG2 4.06Å; F155-I205 HydrophobicContact CE1-CB 4.17Å; F155-I205 HydrophobicContact CE1-CG1 4.25Å; F155-I205 HydrophobicContact CE1-CG2 3.79Å; F155-I205 HydrophobicContact CE2-CD1 4.48Å; F155-I205 HydrophobicContact CE2-CG1 4.13Å; F155-I205 HydrophobicContact CZ-CB 4.16Å; F155-I205 HydrophobicContact CZ-CG1 3.72Å; F155-I205 HydrophobicContact CZ-CG2 4.07Å; F155-S225 CarbonylContact C-O 3.53Å; F155-S225 VanDerWaalsContact CA-O 3.3Å; F155-S225 WeakPolarHBondContact CA-O 3.35Å
156	V	98.7	Very high	97.9	Very high	33 Å²	33	32.3 Å²	32.3	20%	0.2	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.4	173.9	-174.3	0	0	0	0	108.4	I154 V158 T192 Q194 S225	I154-V156 HydrophobicContact CG2-CG2 4.22Å; V156-V158 HydrophobicContact CG1-CG2 4.43Å; V156-T192 HydrophobicContact CG1-CG2 3.75Å; V156-Q194 HydrophobicContact CG2-CG 4.13Å; V156-S225 PolarHBondContact N-O 3.02Å; V156-S225 PolarHBondContact O-N 3.19Å
157	V	98.8	Very high	97.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.6	-179.1	-178.5	0	0	0	0	108	I159 V169 L171 L179 T192 N193 L207 L224	V157-I159 HydrophobicContact CG1-CG2 4.17Å; V157-V169 HydrophobicContact CG1-CG2 3.7Å; V157-L171 HydrophobicContact CG2-CD1 4.3Å; V157-L171 HydrophobicContact CG2-CD2 4.35Å; V157-L179 HydrophobicContact CB-CD2 4.19Å; V157-L179 HydrophobicContact CG2-CD2 3.97Å; V157-T192 WeakPolarHBondContact O-CA 3.36Å; V157-N193 PolarHBondContact N-O 2.97Å; V157-N193 PolarHBondContact O-N 2.85Å; V157-L207 HydrophobicContact CG1-CD1 4.31Å; V157-L207 HydrophobicContact CG1-CD2 4.04Å; V157-L207 HydrophobicContact CG2-CD2 4.07Å; V157-L224 HydrophobicContact CG2-CD1 3.82Å
158	V	98.7	Very high	97.9	Very high	29 Å²	29	29.9 Å²	29.9	18%	0.176	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.4	171.1	-171.3	0	0	0	0	107.5	V156 T190 V191 T192 S222 S223	V156-V158 HydrophobicContact CG1-CG2 4.43Å; V158-T190 HydrophobicContact CG1-CG2 3.69Å; V158-V191 WeakPolarHBondContact CA-O 3.26Å; V158-T192 HydrophobicContact CG2-CG2 4.04Å; V158-S222 CarbonylContact O-C 3.3Å; V158-S222 VanDerWaalsContact O-CA 3.26Å; V158-S222 WeakPolarHBondContact O-CA 3.48Å; V158-S223 PolarHBondContact N-O 3.45Å; V158-S223 PolarHBondContact O-N 3.23Å; V158-S223 VanDerWaalsContact O-O 3.11Å
159	I	98.5	Very high	98	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.1	170.4	64.4	173	0	0	0	110.1	V157 A167 V169 T190 V191 L216	V157-I159 HydrophobicContact CG1-CG2 4.17Å; I159-A167 HydrophobicContact CD1-CB 4.13Å; I159-A167 WeakPolarHBondContact CD1-O 3.46Å; I159-V169 HydrophobicContact CD1-CG1 4.41Å; I159-V169 HydrophobicContact CD1-CG2 4.23Å; I159-V169 HydrophobicContact CG2-CG1 3.92Å; I159-V169 HydrophobicContact CG2-CG2 3.81Å; I159-T190 WeakPolarHBondContact O-CA 3.42Å; I159-V191 HydrophobicContact CD1-CG1 3.92Å; I159-V191 HydrophobicContact CG1-CG1 3.42Å; I159-V191 VanDerWaalsContact CG1-CG1 3.42Å; I159-V191 PolarHBondContact N-O 3.07Å; I159-V191 PolarHBondContact O-N 2.87Å; I159-L216 HydrophobicContact CG2-CD2 4.06Å
160	S	98.6	Very high	98	Very high	1 Å²	1	31 Å²	31	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.3	177	-61.7	0	0	0	0	111.1	A189 T190 H217 Y221 S222	S160-A189 CarbonylContact C-O 3.57Å; S160-A189 VanDerWaalsContact CA-O 3.27Å; S160-A189 WeakPolarHBondContact CA-O 3.27Å; S160-T190 WeakPolarHBondContact OG-CG2 3.47Å; S160-T190 PolarHBondContact OG-OG1 3.45Å; S160-H217 PolarHBondContact O-N 2.93Å; S160-Y221 PolarHBondContact OG-O 3.28Å; S160-S222 PolarHBondContact N-OG 2.84Å; S160-S222 VanDerWaalsContact N-OG 3.07Å
161	A	98.4	Very high	98.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	152.3	171.6	0	0	0	0	0	109.6	A167 S185 W188 A189	A161-A167 HydrophobicContact CB-CB 3.88Å; A161-S185 WeakPolarHBondContact O-CB 3.47Å; A161-W188 WeakPolarHBondContact O-CA 3.46Å; A161-A189 PolarHBondContact N-O 2.54Å; A161-A189 PolarHBondContact O-N 3.41Å
162	Q	97	Very high	98.1	Very high	75 Å²	75	30.5 Å²	30.5	35%	0.35	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	153.7	-176.5	-164.6	-168.4	0.7	0	0	110.3	E165 S185 F187 W188 H217	Q162-E165 WeakPolarHBondContact O-CB 3.38Å; Q162-E165 WeakPolarHBondContact O-CG 3.45Å; Q162-E165 PolarHBondContact O-N 3.08Å; Q162-S185 WeakPolarHBondContact CA-OG 3.2Å; Q162-S185 PolarHBondContact N-OG 3.27Å; Q162-S185 PolarHBondContact O-OG 3.29Å; Q162-F187 WeakPolarHBondContact CA-O 3.25Å; Q162-F187 WeakPolarHBondContact CG-O 3.43Å; Q162-W188 HydrophobicContact CB-CE3 4.29Å; Q162-W188 HydrophobicContact CB-CZ3 4.44Å; Q162-W188 HydrophobicContact CG-CE3 3.79Å; Q162-W188 HydrophobicContact CG-CZ3 4.05Å; Q162-H217 PolarHBondContact OE1-CE1 3.38Å; Q162-H217 PolarHBondContact OE1-ND1 3.37Å
163	S	95.9	Very high	98.1	Very high	71 Å²	71	30.8 Å²	30.8	50%	0.497	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	55	166.4	-56.3	0	0	0	0	115	E165 F187	S163-E165 PolarHBondContact O-N 3.32Å; S163-F187 PolarHBondContact N-O 3Å
164	Y	97	Very high	98.1	Very high	159 Å²	159	34.9 Å²	34.9	62%	0.624	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	13.2	179.5	-57.1	-90.5	0	0	0	115.4	S185 T186	Y164-S185 VanDerWaalsContact CA-O 3.29Å; Y164-S185 WeakPolarHBondContact CA-O 3.34Å; Y164-S185 PolarHBondContact N-OG 3.15Å; Y164-T186 HydrophobicContact CD1-CG2 4.3Å; Y164-T186 WeakPolarHBondContact CD2-O 3.42Å; Y164-T186 HydrophobicContact CE1-CG2 3.52Å; Y164-T186 WeakPolarHBondContact CE2-O 3.13Å; Y164-T186 PolarHBondContact N-O 2.83Å
165	E	97.7	Very high	98	Very high	58 Å²	58	36.6 Å²	36.6	27%	0.271	19%	0.188	S	C	.	.			trans	-89.7	165.1	-179.5	-62.7	-64.9	178.8	0	0	114	Q162 S163 S185 R215	Q162-E165 WeakPolarHBondContact O-CB 3.38Å; Q162-E165 WeakPolarHBondContact O-CG 3.45Å; Q162-E165 PolarHBondContact O-N 3.08Å; S163-E165 PolarHBondContact O-N 3.32Å; E165-S185 PolarHBondContact N-OG 3.5Å; E165-S185 PolarHBondContact O-N 2.73Å; E165-S185 PolarHBondContact O-OG 2.92Å; E165-R215 HydrophobicContact CB-CB 3.81Å; E165-R215 HydrophobicContact CG-CB 4.1Å; E165-R215 IonicContact OE1-CZ 2.63Å; E165-R215 IonicContact OE1-NE 3.07Å; E165-R215 PolarHBondContact OE1-NE 3Å; E165-R215 IonicContact OE1-NH2 2.87Å; E165-R215 PolarHBondContact OE1-NH2 2.97Å; E165-R215 VanDerWaalsContact OE2-CG 3.28Å; E165-R215 WeakPolarHBondContact OE2-CG 3.41Å; E165-R215 IonicContact OE2-NE 3.9Å; E165-R215 PolarHBondContact OE2-NE 2.89Å; E165-R215 VanDerWaalsContact OE2-NE 3.12Å
166	K	97.9	Very high	98	Very high	80 Å²	80	43.8 Å²	43.8	35%	0.348	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.1	177.4	-51.4	-170	-179.5	-144.5	0	111.2	W182 E184 A213 R215	K166-W182 HydrophobicContact CD-CZ2 4.1Å; K166-E184 HydrophobicContact CB-CG 4.42Å; K166-E184 HydrophobicContact CD-CG 4.04Å; K166-E184 VanDerWaalsContact CE-CD 3.46Å; K166-E184 WeakPolarHBondContact CE-OE2 3.17Å; K166-E184 HydrophobicContact CG-CB 4.32Å; K166-E184 HydrophobicContact CG-CG 3.94Å; K166-E184 IonicContact NZ-OE1 3.32Å; K166-E184 PolarHBondContact NZ-OE1 2.9Å; K166-E184 IonicContact NZ-OE2 2.69Å; K166-E184 PolarHBondContact NZ-OE2 2.99Å; K166-A213 HydrophobicContact CB-CB 3.77Å; K166-A213 CarbonylContact O-C 3.52Å; K166-A213 VanDerWaalsContact O-CA 3.29Å; K166-A213 WeakPolarHBondContact O-CA 3.37Å; K166-R215 PolarHBondContact O-N 2.84Å
167	A	98.4	Very high	97.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.4	171.7	0	0	0	0	0	109.8	I159 A161 W182 C183 A213 L216	I159-A167 HydrophobicContact CD1-CB 4.13Å; I159-A167 WeakPolarHBondContact CD1-O 3.46Å; A161-A167 HydrophobicContact CB-CB 3.88Å; A167-W182 CarbonylContact O-C 3.41Å; A167-W182 WeakPolarHBondContact O-CA 3.24Å; A167-C183 PolarHBondContact N-O 2.97Å; A167-C183 PolarHBondContact O-N 2.9Å; A167-A213 CarbonylContact C-O 3.58Å; A167-A213 WeakPolarHBondContact CA-O 3.35Å; A167-L216 HydrophobicContact CB-CD1 3.93Å; A167-L216 HydrophobicContact CB-CG 3.98Å
168	G	98.2	Very high	97.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	133.2	177.5	0	0	0	0	0	110.5	S181 C209 R210 A213	G168-S181 CarbonylContact C-O 3.59Å; G168-S181 VanDerWaalsContact CA-O 3.25Å; G168-S181 WeakPolarHBondContact CA-O 3.31Å; G168-C209 CarbonylContact O-C 3.49Å; G168-C209 WeakPolarHBondContact O-CA 3.4Å; G168-R210 PolarHBondContact O-N 2.87Å; G168-A213 PolarHBondContact N-O 3.21Å
169	V	98.4	Very high	97.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	158.5	-179.7	-55.6	0	0	0	0	112.6	L125 V157 I159 S181 L207 E208 L216	L125-V169 HydrophobicContact CD1-CG1 3.56Å; V157-V169 HydrophobicContact CG1-CG2 3.7Å; I159-V169 HydrophobicContact CD1-CG1 4.41Å; I159-V169 HydrophobicContact CD1-CG2 4.23Å; I159-V169 HydrophobicContact CG2-CG1 3.92Å; I159-V169 HydrophobicContact CG2-CG2 3.81Å; V169-S181 PolarHBondContact N-O 2.89Å; V169-S181 PolarHBondContact O-N 2.01Å; V169-L207 HydrophobicContact CB-CD2 4.28Å; V169-L207 HydrophobicContact CG2-CD2 3.93Å; V169-E208 CarbonylContact C-O 3.55Å; V169-E208 WeakPolarHBondContact CA-O 3.4Å; V169-E208 WeakPolarHBondContact CB-O 3.35Å; V169-L216 HydrophobicContact CG1-CD1 4.21Å; V169-L216 HydrophobicContact CG1-CD2 3.83Å; V169-L216 HydrophobicContact CG1-CG 4.48Å
170	R	97.9	Very high	97.8	Very high	79 Å²	79	51 Å²	51	30%	0.298	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.8	171.3	-46.3	-173.5	175.6	142.2	1.9	107.2	L172 V177 L179 L180 L207 E208 R210	R170-L172 HydrophobicContact CB-CD1 3.99Å; R170-L172 WeakPolarHBondContact O-CD1 3.5Å; R170-V177 HydrophobicContact CB-CG1 4.31Å; R170-V177 HydrophobicContact CB-CG2 4.28Å; R170-L179 WeakPolarHBondContact CA-O 3.46Å; R170-L180 HydrophobicContact CB-CD2 4.1Å; R170-L180 HydrophobicContact CG-CD2 3.67Å; R170-L207 WeakPolarHBondContact O-CA 3.32Å; R170-L207 WeakPolarHBondContact O-CD2 3.47Å; R170-E208 PolarHBondContact N-O 3.17Å; R170-E208 PolarHBondContact O-N 2.75Å; R170-R210 HydrophobicContact CG-CG 4.41Å
171	L	98.6	Very high	97.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.4	163.6	-170.9	71.5	0	0	0	107.4	F155 V157 V177 V178 L179 A195 I205 L207 L224	F155-L171 HydrophobicContact CB-CD2 3.86Å; F155-L171 HydrophobicContact CG-CD2 4.28Å; V157-L171 HydrophobicContact CG2-CD1 4.3Å; V157-L171 HydrophobicContact CG2-CD2 4.35Å; L171-V177 WeakPolarHBondContact O-CA 3.4Å; L171-V178 HydrophobicContact CB-CG2 4.09Å; L171-V178 HydrophobicContact CD2-CG2 3.94Å; L171-V178 HydrophobicContact CG-CG2 3.92Å; L171-V178 WeakPolarHBondContact O-CG2 3.43Å; L171-V178 PolarHBondContact O-N 3.25Å; L171-L179 HydrophobicContact CB-CB 3.98Å; L171-L179 HydrophobicContact CB-CD2 4.07Å; L171-L179 HydrophobicContact CD2-CB 4.36Å; L171-L179 PolarHBondContact N-O 2.86Å; L171-L179 PolarHBondContact O-N 2.96Å; L171-A195 HydrophobicContact CD2-CB 4.05Å; L171-I205 HydrophobicContact CD1-CG2 3.62Å; L171-I205 HydrophobicContact CG-CG2 4.11Å; L171-L207 HydrophobicContact CB-CD2 4.03Å; L171-L207 HydrophobicContact CD1-CD2 3.67Å; L171-L207 HydrophobicContact CD1-CG 4.08Å; L171-L207 HydrophobicContact CG-CD2 4.49Å; L171-L224 HydrophobicContact CD1-CD1 4.13Å
172	L	98.3	Very high	97.8	Very high	6 Å²	6	55.4 Å²	55.4	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	142.7	-178.1	-62.1	89.5	0	0	0	110.6	R170 K176 V177 I205 W206 E208	R170-L172 HydrophobicContact CB-CD1 3.99Å; R170-L172 WeakPolarHBondContact O-CD1 3.5Å; L172-K176 CarbonylContact C-O 3.52Å; L172-K176 VanDerWaalsContact CA-O 3.29Å; L172-K176 WeakPolarHBondContact CA-O 3.06Å; L172-V177 HydrophobicContact CG-CG2 4.42Å; L172-I205 VanDerWaalsContact O-CA 3.27Å; L172-I205 WeakPolarHBondContact O-CA 3.29Å; L172-W206 HydrophobicContact CB-CD2 4.19Å; L172-W206 HydrophobicContact CB-CZ2 4.16Å; L172-W206 HydrophobicContact CD2-CZ2 4.11Å; L172-W206 PolarHBondContact N-O 2.8Å; L172-W206 PolarHBondContact O-N 2.72Å; L172-E208 HydrophobicContact CD1-CB 3.77Å; L172-E208 HydrophobicContact CD1-CG 3.62Å; L172-E208 WeakPolarHBondContact CD2-OE2 3.32Å
173	Q	98.2	Very high	97.9	Very high	45 Å²	45	52.3 Å²	52.3	21%	0.21	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	114.9	162.8	177.8	-166.5	5.7	0	0	107.8	G175 K176 V178 L199 D203 Q204 I205	Q173-G175 PolarHBondContact O-N 2.6Å; Q173-K176 PolarHBondContact N-O 2.8Å; Q173-K176 WeakPolarHBondContact O-CB 3.02Å; Q173-K176 PolarHBondContact O-N 3Å; Q173-V178 HydrophobicContact CB-CG1 3.8Å; Q173-L199 VanDerWaalsContact CD-CD2 3.41Å; Q173-L199 HydrophobicContact CG-CD2 3.72Å; Q173-D203 PolarHBondContact NE2-OD2 3.5Å; Q173-Q204 WeakPolarHBondContact CA-O 3.36Å; Q173-I205 HydrophobicContact CB-CD1 3.71Å; Q173-I205 HydrophobicContact CG-CD1 4.02Å
174	N	97.7	Very high	98	Very high	86 Å²	86	53.5 Å²	53.5	46%	0.46	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	38.2	179.4	-57.9	-23.4	0	0	0	113	K176 D203 Q204	N174-K176 PolarHBondContact O-N 2.95Å; N174-D203 PolarHBondContact ND2-OD1 2.87Å; N174-Q204 PolarHBondContact N-O 3.2Å; N174-Q204 PolarHBondContact OD1-N 2.89Å
175	G	96.2	Very high	98	Very high	46 Å²	46	46.4 Å²	46.4	47%	0.474	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	-4.6	-178.9	0	0	0	0	0	115.7	Q173	Q173-G175 PolarHBondContact O-N 2.6Å
176	K	97.9	Very high	97.9	Very high	151 Å²	151	47.4 Å²	47.4	66%	0.657	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	126	172.4	-176.4	-177.3	176	-173.5	0	110.3	L172 Q173 N174 V178	L172-K176 CarbonylContact C-O 3.52Å; L172-K176 VanDerWaalsContact CA-O 3.29Å; L172-K176 WeakPolarHBondContact CA-O 3.06Å; Q173-K176 PolarHBondContact N-O 2.8Å; Q173-K176 WeakPolarHBondContact O-CB 3.02Å; Q173-K176 PolarHBondContact O-N 3Å; N174-K176 PolarHBondContact O-N 2.95Å; K176-V178 PolarHBondContact O-N 3.14Å
177	V	97.9	Very high	97.8	Very high	63 Å²	63	50.8 Å²	50.8	38%	0.382	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	127.7	174.6	-179.4	0	0	0	0	110.5	R170 L171 L172 L180	R170-V177 HydrophobicContact CB-CG1 4.31Å; R170-V177 HydrophobicContact CB-CG2 4.28Å; L171-V177 WeakPolarHBondContact O-CA 3.4Å; L172-V177 HydrophobicContact CG-CG2 4.42Å; V177-L180 HydrophobicContact CG1-CD2 3.74Å; V177-L180 HydrophobicContact CG1-CG 4.09Å
178	V	98	Very high	97.8	Very high	46 Å²	46	55.6 Å²	55.6	28%	0.279	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-23.3	176.8	-66.2	0	0	0	0	113.3	L171 Q173 K176 I197	L171-V178 HydrophobicContact CB-CG2 4.09Å; L171-V178 HydrophobicContact CD2-CG2 3.94Å; L171-V178 HydrophobicContact CG-CG2 3.92Å; L171-V178 WeakPolarHBondContact O-CG2 3.43Å; L171-V178 PolarHBondContact O-N 3.25Å; Q173-V178 HydrophobicContact CB-CG1 3.8Å; K176-V178 PolarHBondContact O-N 3.14Å; V178-I197 HydrophobicContact CB-CG2 4.49Å; V178-I197 HydrophobicContact CG2-CD1 4.29Å
179	L	98.2	Very high	97.8	Very high	11 Å²	11	56.6 Å²	56.6	6%	0.058	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	149.1	177.2	166.9	157.1	0	0	0	111	V157 R170 L171 N193 A195	V157-L179 HydrophobicContact CB-CD2 4.19Å; V157-L179 HydrophobicContact CG2-CD2 3.97Å; R170-L179 WeakPolarHBondContact CA-O 3.46Å; L171-L179 HydrophobicContact CB-CB 3.98Å; L171-L179 HydrophobicContact CB-CD2 4.07Å; L171-L179 HydrophobicContact CD2-CB 4.36Å; L171-L179 PolarHBondContact N-O 2.86Å; L171-L179 PolarHBondContact O-N 2.96Å; L179-N193 HydrophobicContact CD1-CB 3.89Å; L179-N193 HydrophobicContact CD2-CB 4.3Å; L179-N193 HydrophobicContact CG-CB 4.27Å; L179-A195 HydrophobicContact CB-CB 4.25Å; L179-A195 HydrophobicContact CD1-CB 3.94Å
180	L	98.2	Very high	97.8	Very high	94 Å²	94	59.9 Å²	59.9	49%	0.492	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.7	174.8	-65.2	174.9	0	0	0	109.7	R170 V177 N193	R170-L180 HydrophobicContact CB-CD2 4.1Å; R170-L180 HydrophobicContact CG-CD2 3.67Å; V177-L180 HydrophobicContact CG1-CD2 3.74Å; V177-L180 HydrophobicContact CG1-CG 4.09Å; L180-N193 PolarHBondContact O-ND2 2.92Å
181	S	98	Very high	97.8	Very high	7 Å²	7	58.1 Å²	58.1	5%	0.049	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.8	171.2	-67.4	0	0	0	0	110.1	G168 V169 N193	G168-S181 CarbonylContact C-O 3.59Å; G168-S181 VanDerWaalsContact CA-O 3.25Å; G168-S181 WeakPolarHBondContact CA-O 3.31Å; V169-S181 PolarHBondContact N-O 2.89Å; V169-S181 PolarHBondContact O-N 2.01Å; S181-N193 VanDerWaalsContact OG-CB 3.29Å; S181-N193 WeakPolarHBondContact OG-CB 3.45Å
182	W	98.3	Very high	97.8	Very high	86 Å²	86	62.1 Å²	62.1	33%	0.326	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	133.1	-180	-176.3	-83.3	0	0	0	111	K166 A167 E184 R210 E212 A213	K166-W182 HydrophobicContact CD-CZ2 4.1Å; A167-W182 CarbonylContact O-C 3.41Å; A167-W182 WeakPolarHBondContact O-CA 3.24Å; W182-E184 VanDerWaalsContact CZ2-OE1 3.31Å; W182-E184 WeakPolarHBondContact CZ2-OE1 3.21Å; W182-E184 VanDerWaalsContact NE1-CG 3.25Å; W182-E184 PolarHBondContact NE1-OE1 3Å; W182-R210 HydrophobicContact CZ3-CB 4.31Å; W182-E212 HydrophobicContact CH2-CG 3.7Å; W182-E212 HydrophobicContact CZ3-CG 4.05Å; W182-A213 HydrophobicContact CE3-CB 3.99Å; W182-A213 HydrophobicContact CH2-CB 3.62Å; W182-A213 HydrophobicContact CZ2-CB 4.29Å; W182-A213 HydrophobicContact CZ3-CB 3.42Å; W182-A213 VanDerWaalsContact CZ3-CB 3.42Å
183	C	98.2	Very high	97.8	Very high	10 Å²	10	65 Å²	65	7%	0.068	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	148.2	166.1	61.4	0	0	0	0	111.1	A167 A189 V191	A167-C183 PolarHBondContact N-O 2.97Å; A167-C183 PolarHBondContact O-N 2.9Å; C183-A189 HydrophobicContact CB-CB 4.09Å; C183-V191 HydrophobicContact CB-CB 4.17Å; C183-V191 HydrophobicContact CB-CG1 3.88Å
184	E	98.1	Very high	97.8	Very high	96 Å²	96	67.6 Å²	67.6	45%	0.449	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.5	171.2	-51.2	-164.7	-179.2	0	0	107.8	K166 W182 A189	K166-E184 HydrophobicContact CB-CG 4.42Å; K166-E184 HydrophobicContact CD-CG 4.04Å; K166-E184 VanDerWaalsContact CE-CD 3.46Å; K166-E184 WeakPolarHBondContact CE-OE2 3.17Å; K166-E184 HydrophobicContact CG-CB 4.32Å; K166-E184 HydrophobicContact CG-CG 3.94Å; K166-E184 IonicContact NZ-OE1 3.32Å; K166-E184 PolarHBondContact NZ-OE1 2.9Å; K166-E184 IonicContact NZ-OE2 2.69Å; K166-E184 PolarHBondContact NZ-OE2 2.99Å; W182-E184 VanDerWaalsContact CZ2-OE1 3.31Å; W182-E184 WeakPolarHBondContact CZ2-OE1 3.21Å; W182-E184 VanDerWaalsContact NE1-CG 3.25Å; W182-E184 PolarHBondContact NE1-OE1 3Å; E184-A189 WeakPolarHBondContact O-CB 3.48Å
185	S	97.2	Very high	97.9	Very high	11 Å²	11	63.9 Å²	63.9	8%	0.077	34%	0.338	C	S	.	.			trans	-101.1	151.9	-176.6	66.7	0	0	0	0	111.8	A161 Q162 Y164 E165	A161-S185 WeakPolarHBondContact O-CB 3.47Å; Q162-S185 WeakPolarHBondContact CA-OG 3.2Å; Q162-S185 PolarHBondContact N-OG 3.27Å; Q162-S185 PolarHBondContact O-OG 3.29Å; Y164-S185 VanDerWaalsContact CA-O 3.29Å; Y164-S185 WeakPolarHBondContact CA-O 3.34Å; Y164-S185 PolarHBondContact N-OG 3.15Å; E165-S185 PolarHBondContact N-OG 3.5Å; E165-S185 PolarHBondContact O-N 2.73Å; E165-S185 PolarHBondContact O-OG 2.92Å
186	T	96.8	Very high	98	Very high	79 Å²	79	66.8 Å²	66.8	49%	0.485	34%	0.341	S	S	.	.	S	Bend	trans	-96.1	-67.4	155.6	-55.9	0	0	0	0	107.3	Y164	Y164-T186 HydrophobicContact CD1-CG2 4.3Å; Y164-T186 WeakPolarHBondContact CD2-O 3.42Å; Y164-T186 HydrophobicContact CE1-CG2 3.52Å; Y164-T186 WeakPolarHBondContact CE2-O 3.13Å; Y164-T186 PolarHBondContact N-O 2.83Å
187	F	95.7	Very high	98	Very high	151 Å²	151	60.8 Å²	60.8	66%	0.662	32%	0.316	S	S	*	.	S	Bend	trans	-101.7	-44.1	168.1	-58.7	-70.3	0	0	0	111.4	Q162 S163	Q162-F187 WeakPolarHBondContact CA-O 3.25Å; Q162-F187 WeakPolarHBondContact CG-O 3.43Å; S163-F187 PolarHBondContact N-O 3Å
188	W	97.9	Very high	97.9	Very high	100 Å²	100	63.8 Å²	63.8	38%	0.379	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	142.1	-179	-166	-79.6	0	0	0	109.9	A161 Q162 T190 H217 Y221	A161-W188 WeakPolarHBondContact O-CA 3.46Å; Q162-W188 HydrophobicContact CB-CE3 4.29Å; Q162-W188 HydrophobicContact CB-CZ3 4.44Å; Q162-W188 HydrophobicContact CG-CE3 3.79Å; Q162-W188 HydrophobicContact CG-CZ3 4.05Å; W188-T190 PolarHBondContact NE1-OG1 3.06Å; W188-H217 AromaticContact CH2-CD2 3.47Å; W188-H217 VanDerWaalsContact CH2-CD2 3.47Å; W188-H217 WeakPolarHBondContact CH2-CD2 3.11Å; W188-H217 AromaticContact CH2-CG 3.92Å; W188-H217 AromaticContact CH2-NE2 3.55Å; W188-H217 AromaticContact CZ3-CE1 4Å; W188-H217 AromaticContact CZ3-NE2 3.97Å; W188-Y221 AromaticContact CH2-CD1 3.83Å; W188-Y221 HydrophobicContact CH2-CD1 3.83Å; W188-Y221 AromaticContact CH2-CD2 3.67Å; W188-Y221 HydrophobicContact CH2-CD2 3.67Å; W188-Y221 AromaticContact CH2-CE1 3.87Å; W188-Y221 HydrophobicContact CH2-CE1 3.87Å; W188-Y221 AromaticContact CH2-CE2 3.71Å; W188-Y221 HydrophobicContact CH2-CE2 3.71Å; W188-Y221 AromaticContact CH2-CG 3.7Å; W188-Y221 HydrophobicContact CH2-CG 3.7Å; W188-Y221 AromaticContact CH2-CZ 3.79Å; W188-Y221 AromaticContact CZ2-CD1 3.39Å; W188-Y221 HydrophobicContact CZ2-CD1 3.39Å; W188-Y221 HydrophobicContact CZ2-CD2 4.04Å; W188-Y221 AromaticContact CZ2-CE1 3.69Å; W188-Y221 HydrophobicContact CZ2-CE1 3.69Å; W188-Y221 HydrophobicContact CZ2-CE2 4.3Å; W188-Y221 AromaticContact CZ2-CG 3.56Å; W188-Y221 HydrophobicContact CZ2-CG 3.56Å
189	A	98.3	Very high	97.9	Very high	21 Å²	21	61.7 Å²	61.7	17%	0.174	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	139.9	165.8	0	0	0	0	0	110.6	S160 A161 C183 E184	S160-A189 CarbonylContact C-O 3.57Å; S160-A189 VanDerWaalsContact CA-O 3.27Å; S160-A189 WeakPolarHBondContact CA-O 3.27Å; A161-A189 PolarHBondContact N-O 2.54Å; A161-A189 PolarHBondContact O-N 3.41Å; C183-A189 HydrophobicContact CB-CB 4.09Å; E184-A189 WeakPolarHBondContact O-CB 3.48Å
190	T	98.4	Very high	97.9	Very high	70 Å²	70	65 Å²	65	43%	0.429	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.5	177.2	-59.9	0	0	0	0	108.9	V158 I159 S160 W188	V158-T190 HydrophobicContact CG1-CG2 3.69Å; I159-T190 WeakPolarHBondContact O-CA 3.42Å; S160-T190 WeakPolarHBondContact OG-CG2 3.47Å; S160-T190 PolarHBondContact OG-OG1 3.45Å; W188-T190 PolarHBondContact NE1-OG1 3.06Å
191	V	98.6	Very high	97.8	Very high	41 Å²	41	66.4 Å²	66.4	25%	0.248	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.2	170.5	64.2	0	0	0	0	109.8	V158 I159 C183	V158-V191 WeakPolarHBondContact CA-O 3.26Å; I159-V191 HydrophobicContact CD1-CG1 3.92Å; I159-V191 HydrophobicContact CG1-CG1 3.42Å; I159-V191 VanDerWaalsContact CG1-CG1 3.42Å; I159-V191 PolarHBondContact N-O 3.07Å; I159-V191 PolarHBondContact O-N 2.87Å; C183-V191 HydrophobicContact CB-CB 4.17Å; C183-V191 HydrophobicContact CB-CG1 3.88Å
192	T	98.6	Very high	97.8	Very high	85 Å²	85	71.3 Å²	71.3	52%	0.521	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.9	172.9	-58.7	0	0	0	0	108.5	V156 V157 V158	V156-T192 HydrophobicContact CG1-CG2 3.75Å; V157-T192 WeakPolarHBondContact O-CA 3.36Å; V158-T192 HydrophobicContact CG2-CG2 4.04Å
193	N	98.3	Very high	97.8	Very high	67 Å²	67	68.2 Å²	68.2	36%	0.358	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	158.2	171.5	-159.2	-0.7	0	0	0	110.1	V157 L179 L180 S181	V157-N193 PolarHBondContact N-O 2.97Å; V157-N193 PolarHBondContact O-N 2.85Å; L179-N193 HydrophobicContact CD1-CB 3.89Å; L179-N193 HydrophobicContact CD2-CB 4.3Å; L179-N193 HydrophobicContact CG-CB 4.27Å; L180-N193 PolarHBondContact O-ND2 2.92Å; S181-N193 VanDerWaalsContact OG-CB 3.29Å; S181-N193 WeakPolarHBondContact OG-CB 3.45Å
194	Q	98.3	Very high	97.9	Very high	99 Å²	99	71.5 Å²	71.5	46%	0.463	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.4	-172.8	-177.1	179.6	26.5	0	0	111.4	I154 F155 V156	I154-Q194 HydrophobicContact CG2-CG 4.11Å; F155-Q194 CarbonylContact O-C 3.55Å; F155-Q194 VanDerWaalsContact O-CA 3.31Å; F155-Q194 WeakPolarHBondContact O-CA 3.35Å; F155-Q194 WeakPolarHBondContact O-CG 3.29Å; V156-Q194 HydrophobicContact CG2-CG 4.13Å
195	A	98.3	Very high	97.9	Very high	8 Å²	8	66.9 Å²	66.9	7%	0.066	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.8	170.5	0	0	0	0	0	110.1	I154 F155 L171 L179 I197	I154-A195 WeakPolarHBondContact CA-O 3.33Å; F155-A195 PolarHBondContact N-O 3.33Å; F155-A195 PolarHBondContact O-N 3.47Å; L171-A195 HydrophobicContact CD2-CB 4.05Å; L179-A195 HydrophobicContact CB-CB 4.25Å; L179-A195 HydrophobicContact CD1-CB 3.94Å; A195-I197 HydrophobicContact CB-CG2 4.39Å
196	I	98.4	Very high	97.9	Very high	106 Å²	106	67.7 Å²	67.7	54%	0.544	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	114.2	166.8	-47.3	-172.4	0	0	0	106.1	V152 Y153 I154	V152-I196 HydrophobicContact CG1-CG2 3.67Å; Y153-I196 WeakPolarHBondContact O-CA 3.48Å; I154-I196 HydrophobicContact CD1-CD1 4.47Å; I154-I196 HydrophobicContact CG1-CG1 4.16Å; I154-I196 HydrophobicContact CG1-CG2 4.28Å
197	I	97.6	Very high	98	Very high	26 Å²	26	64 Å²	64	13%	0.133	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	140	-170.4	53.8	-176.5	0	0	0	111.2	Y153 F155 V178 A195 L199 I205	Y153-I197 PolarHBondContact N-O 3.05Å; Y153-I197 PolarHBondContact O-N 3.45Å; F155-I197 HydrophobicContact CD2-CD1 3.76Å; F155-I197 HydrophobicContact CD2-CG1 3.95Å; F155-I197 HydrophobicContact CE2-CD1 3.75Å; F155-I197 HydrophobicContact CE2-CG1 3.91Å; V178-I197 HydrophobicContact CB-CG2 4.49Å; V178-I197 HydrophobicContact CG2-CD1 4.29Å; A195-I197 HydrophobicContact CB-CG2 4.39Å; I197-L199 HydrophobicContact CB-CD2 4.48Å; I197-L199 HydrophobicContact CD1-CD1 4.09Å; I197-L199 HydrophobicContact CD1-CD2 3.94Å; I197-L199 HydrophobicContact CD1-CG 4.26Å; I197-L199 HydrophobicContact CG1-CD1 4.14Å; I197-L199 HydrophobicContact CG1-CD2 4.08Å; I197-L199 HydrophobicContact CG1-CG 4.03Å; I197-I205 HydrophobicContact CD1-CD1 3.68Å
198	Q	97.3	Very high	98.1	Very high	126 Å²	126	57.5 Å²	57.5	59%	0.589	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	127.1	170.5	-176.7	174.8	-4.8	0	0	108.9	G151	G151-Q198 WeakPolarHBondContact O-CA 3.08Å
199	L	97.9	Very high	98.1	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.2	-175.9	-59.2	-179.9	0	0	0	110.7	V147 S150 G151 Y153 F155 Q173 I197 D203 I205	V147-L199 HydrophobicContact CG1-CB 4.14Å; V147-L199 HydrophobicContact CG2-CB 3.83Å; V147-L199 HydrophobicContact CG2-CD1 3.48Å; V147-L199 VanDerWaalsContact CG2-CD1 3.48Å; V147-L199 HydrophobicContact CG2-CG 4.24Å; S150-L199 WeakPolarHBondContact CA-O 3.37Å; G151-L199 PolarHBondContact N-O 2.8Å; G151-L199 PolarHBondContact O-N 3.19Å; Y153-L199 HydrophobicContact CD2-CB 4Å; Y153-L199 HydrophobicContact CD2-CD1 3.97Å; Y153-L199 HydrophobicContact CD2-CG 4.21Å; Y153-L199 HydrophobicContact CE2-CB 4.36Å; Y153-L199 HydrophobicContact CG-CD1 4.14Å; F155-L199 HydrophobicContact CE2-CD1 3.69Å; F155-L199 HydrophobicContact CZ-CD1 3.93Å; Q173-L199 VanDerWaalsContact CD-CD2 3.41Å; Q173-L199 HydrophobicContact CG-CD2 3.72Å; I197-L199 HydrophobicContact CB-CD2 4.48Å; I197-L199 HydrophobicContact CD1-CD1 4.09Å; I197-L199 HydrophobicContact CD1-CD2 3.94Å; I197-L199 HydrophobicContact CD1-CG 4.26Å; I197-L199 HydrophobicContact CG1-CD1 4.14Å; I197-L199 HydrophobicContact CG1-CD2 4.08Å; I197-L199 HydrophobicContact CG1-CG 4.03Å; L199-D203 WeakPolarHBondContact CA-OD2 3.25Å; L199-D203 HydrophobicContact CB-CB 4.32Å; L199-D203 HydrophobicContact CD2-CB 4.37Å; L199-I205 HydrophobicContact CD1-CD1 3.87Å; L199-I205 HydrophobicContact CD1-CG1 3.73Å; L199-I205 HydrophobicContact CD2-CD1 4Å
200	N	97.7	Very high	97.9	Very high	82 Å²	82	55.3 Å²	55.3	44%	0.439	28%	0.279	S	S	.	.			trans	-93.2	155.5	170.9	-64.4	-48.4	0	0	0	110.4	V147 N202 D203	V147-N200 WeakPolarHBondContact CB-O 3.37Å; V147-N200 VanDerWaalsContact CG1-O 3.25Å; V147-N200 WeakPolarHBondContact CG1-O 3.3Å; N200-N202 PolarHBondContact O-N 3.06Å; N200-D203 PolarHBondContact N-OD2 3.13Å; N200-D203 VanDerWaalsContact O-CB 3.26Å; N200-D203 WeakPolarHBondContact O-CB 3.46Å; N200-D203 PolarHBondContact O-N 2.93Å
201	K	97	Very high	97.6	Very high	122 Å²	122	56 Å²	56	53%	0.53	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	134.6	169.5	-177.4	169.8	-176.1	170	0	111	V147 P148 S150 D203	V147-K201 WeakPolarHBondContact O-CA 3.45Å; P148-K201 WeakPolarHBondContact O-CD 3.37Å; P148-K201 VanDerWaalsContact O-CE 3.26Å; P148-K201 WeakPolarHBondContact O-CE 3.29Å; P148-K201 WeakPolarHBondContact O-CG 3.33Å; S150-K201 PolarHBondContact OG-N 2.93Å; K201-D203 VanDerWaalsContact C-N 3.3Å; K201-D203 PolarHBondContact O-N 2.86Å
202	N	97.9	Very high	97.4	Very high	111 Å²	111	58.4 Å²	58.4	59%	0.594	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	2.2	-173.1	-40.5	-54.3	0	0	0	116.6	V147 N200	V147-N202 PolarHBondContact O-N 2.88Å; N200-N202 PolarHBondContact O-N 3.06Å
203	D	98.4	Very high	97.3	Very high	21 Å²	21	54.4 Å²	54.4	11%	0.112	27%	0.265	C	S	.	.			trans	-58.9	146.1	164.5	-82.3	-15.2	0	0	0	109.9	V147 Q173 N174 L199 N200 K201	V147-D203 HydrophobicContact CB-CB 4.35Å; V147-D203 WeakPolarHBondContact CB-O 3.48Å; V147-D203 HydrophobicContact CG2-CB 3.97Å; V147-D203 VanDerWaalsContact CG2-O 3.26Å; V147-D203 WeakPolarHBondContact CG2-O 3.4Å; V147-D203 PolarHBondContact N-O 2.63Å; Q173-D203 PolarHBondContact NE2-OD2 3.5Å; N174-D203 PolarHBondContact ND2-OD1 2.87Å; L199-D203 WeakPolarHBondContact CA-OD2 3.25Å; L199-D203 HydrophobicContact CB-CB 4.32Å; L199-D203 HydrophobicContact CD2-CB 4.37Å; N200-D203 PolarHBondContact N-OD2 3.13Å; N200-D203 VanDerWaalsContact O-CB 3.26Å; N200-D203 WeakPolarHBondContact O-CB 3.46Å; N200-D203 PolarHBondContact O-N 2.93Å; K201-D203 VanDerWaalsContact C-N 3.3Å; K201-D203 PolarHBondContact O-N 2.86Å
204	Q	98.6	Very high	97.2	Very high	78 Å²	78	54.6 Å²	54.6	36%	0.364	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.6	-177.8	-69.8	-172.7	-30.1	0	0	111.6	I144 F145 Q173 N174 W206	I144-Q204 HydrophobicContact CG2-CB 3.87Å; I144-Q204 HydrophobicContact CG2-CG 3.99Å; F145-Q204 WeakPolarHBondContact O-CA 3.4Å; Q173-Q204 WeakPolarHBondContact CA-O 3.36Å; N174-Q204 PolarHBondContact N-O 3.2Å; N174-Q204 PolarHBondContact OD1-N 2.89Å; Q204-W206 HydrophobicContact CB-CE3 4.12Å; Q204-W206 HydrophobicContact CB-CZ3 3.86Å
205	I	98.7	Very high	97.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.6	177.5	-57.6	-69.8	0	0	0	109.6	F145 F155 L171 L172 Q173 I197 L199	F145-I205 HydrophobicContact CB-CB 4.23Å; F145-I205 HydrophobicContact CD1-CB 4.33Å; F145-I205 HydrophobicContact CD1-CG1 4.38Å; F145-I205 PolarHBondContact N-O 2.97Å; F145-I205 PolarHBondContact O-N 3.05Å; F155-I205 HydrophobicContact CD1-CG2 4.06Å; F155-I205 HydrophobicContact CE1-CB 4.17Å; F155-I205 HydrophobicContact CE1-CG1 4.25Å; F155-I205 HydrophobicContact CE1-CG2 3.79Å; F155-I205 HydrophobicContact CE2-CD1 4.48Å; F155-I205 HydrophobicContact CE2-CG1 4.13Å; F155-I205 HydrophobicContact CZ-CB 4.16Å; F155-I205 HydrophobicContact CZ-CG1 3.72Å; F155-I205 HydrophobicContact CZ-CG2 4.07Å; L171-I205 HydrophobicContact CD1-CG2 3.62Å; L171-I205 HydrophobicContact CG-CG2 4.11Å; L172-I205 VanDerWaalsContact O-CA 3.27Å; L172-I205 WeakPolarHBondContact O-CA 3.29Å; Q173-I205 HydrophobicContact CB-CD1 3.71Å; Q173-I205 HydrophobicContact CG-CD1 4.02Å; I197-I205 HydrophobicContact CD1-CD1 3.68Å; L199-I205 HydrophobicContact CD1-CD1 3.87Å; L199-I205 HydrophobicContact CD1-CG1 3.73Å; L199-I205 HydrophobicContact CD2-CD1 4Å
206	W	98.2	Very high	97.2	Very high	28 Å²	28	52.5 Å²	52.5	11%	0.106	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	168.1	174.6	67.4	97.7	0	0	0	112	I144 L172 Q204 E208	I144-W206 HydrophobicContact CG1-CB 4.2Å; L172-W206 HydrophobicContact CB-CD2 4.19Å; L172-W206 HydrophobicContact CB-CZ2 4.16Å; L172-W206 HydrophobicContact CD2-CZ2 4.11Å; L172-W206 PolarHBondContact N-O 2.8Å; L172-W206 PolarHBondContact O-N 2.72Å; Q204-W206 HydrophobicContact CB-CE3 4.12Å; Q204-W206 HydrophobicContact CB-CZ3 3.86Å; W206-E208 PolarHBondContact NE1-OE1 2.69Å
207	L	98.1	Very high	97.2	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	138.4	173.2	-73.2	172.6	0	0	0	110.8	L125 F127 V157 V169 R170 L171 L224	L125-L207 HydrophobicContact CB-CB 4.17Å; L125-L207 HydrophobicContact CD1-CB 4.18Å; L125-L207 PolarHBondContact N-O 2.82Å; F127-L207 HydrophobicContact CD2-CD1 4.32Å; F127-L207 HydrophobicContact CE1-CD1 4.33Å; F127-L207 HydrophobicContact CE2-CB 4.33Å; F127-L207 HydrophobicContact CE2-CD1 3.49Å; F127-L207 VanDerWaalsContact CE2-CD1 3.49Å; F127-L207 HydrophobicContact CZ-CD1 3.51Å; V157-L207 HydrophobicContact CG1-CD1 4.31Å; V157-L207 HydrophobicContact CG1-CD2 4.04Å; V157-L207 HydrophobicContact CG2-CD2 4.07Å; V169-L207 HydrophobicContact CB-CD2 4.28Å; V169-L207 HydrophobicContact CG2-CD2 3.93Å; R170-L207 WeakPolarHBondContact O-CA 3.32Å; R170-L207 WeakPolarHBondContact O-CD2 3.47Å; L171-L207 HydrophobicContact CB-CD2 4.03Å; L171-L207 HydrophobicContact CD1-CD2 3.67Å; L171-L207 HydrophobicContact CD1-CG 4.08Å; L171-L207 HydrophobicContact CG-CD2 4.49Å; L207-L224 HydrophobicContact CD1-CB 3.99Å; L207-L224 HydrophobicContact CD1-CD1 4.13Å; L207-L224 HydrophobicContact CD1-CD2 4.12Å; L207-L224 HydrophobicContact CD1-CG 4.3Å; L207-L224 HydrophobicContact CG-CD1 4.44Å; L207-L224 HydrophobicContact CG-CD2 4.31Å
208	E	97.6	Very high	97.2	Very high	13 Å²	13	47.1 Å²	47.1	6%	0.061	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.5	166.8	-72.9	173.1	-179.5	0	0	109	N122 C123 Q124 V169 R170 L172 W206	N122-E208 VanDerWaalsContact CB-CD 3.5Å; N122-E208 HydrophobicContact CB-CG 4.14Å; N122-E208 VanDerWaalsContact CB-OE1 3.27Å; N122-E208 WeakPolarHBondContact CB-OE1 3.47Å; N122-E208 PolarHBondContact ND2-OE1 2.81Å; N122-E208 WeakPolarHBondContact O-CB 3.46Å; N122-E208 WeakPolarHBondContact O-CG 3.43Å; C123-E208 WeakPolarHBondContact O-CA 3.5Å; Q124-E208 HydrophobicContact CB-CG 4.34Å; V169-E208 CarbonylContact C-O 3.55Å; V169-E208 WeakPolarHBondContact CA-O 3.4Å; V169-E208 WeakPolarHBondContact CB-O 3.35Å; R170-E208 PolarHBondContact N-O 3.17Å; R170-E208 PolarHBondContact O-N 2.75Å; L172-E208 HydrophobicContact CD1-CB 3.77Å; L172-E208 HydrophobicContact CD1-CG 3.62Å; L172-E208 WeakPolarHBondContact CD2-OE2 3.32Å; W206-E208 PolarHBondContact NE1-OE1 2.69Å
209	C	97.3	Very high	97.2	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	165	170.1	100.9	0	0	0	0	111.2	C123 L125 G168 Y214	C123-C209 HydrophobicContact CB-CB 3.92Å; C123-C209 WeakPolarHBondContact CB-SG 3.34Å; C123-C209 PolarHBondContact O-N 2.96Å; C123-C209 WeakPolarHBondContact SG-CB 3.39Å; C123-C209 CovalentContact SG-SG 2.01Å; C123-C209 PolarHBondContact SG-SG 3.45Å; L125-C209 HydrophobicContact CD1-CB 4.14Å; L125-C209 HydrophobicContact CD2-CB 4Å; L125-C209 HydrophobicContact CG-CB 4.18Å; G168-C209 CarbonylContact O-C 3.49Å; G168-C209 WeakPolarHBondContact O-CA 3.4Å; C209-Y214 WeakPolarHBondContact SG-CB 3.28Å
210	R	95.4	Very high	97.2	Very high	73 Å²	73	49 Å²	49	28%	0.275	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	139.3	166.1	-72.1	-175.2	66.2	165.3	2.8	110.7	G168 R170 W182 E212 A213 Y214	G168-R210 PolarHBondContact O-N 2.87Å; R170-R210 HydrophobicContact CG-CG 4.41Å; W182-R210 HydrophobicContact CZ3-CB 4.31Å; R210-E212 WeakPolarHBondContact CB-OE2 3.27Å; R210-E212 IonicContact CZ-OE1 2.92Å; R210-E212 IonicContact NE-OE1 2.68Å; R210-E212 PolarHBondContact NE-OE1 3.12Å; R210-E212 IonicContact NE-OE2 3.12Å; R210-E212 IonicContact NH2-OE1 3.15Å; R210-E212 PolarHBondContact NH2-OE1 2.92Å; R210-E212 PolarHBondContact O-N 2.75Å; R210-A213 HydrophobicContact CB-CB 4.35Å; R210-A213 CarbonylContact O-C 3.56Å; R210-A213 VanDerWaalsContact O-C 3.3Å; R210-A213 PolarHBondContact O-N 2.83Å; R210-Y214 PolarHBondContact O-N 2.96Å
211	D	91.9	Very high	97.2	Very high	84 Å²	84	51.1 Å²	51.1	45%	0.449	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	-28.8	-175.5	-65.8	-44.8	0	0	0	113.8	K117 Y214	K117-D211 WeakPolarHBondContact CE-OD1 3.36Å; K117-D211 IonicContact NZ-OD1 3.17Å; K117-D211 PolarHBondContact NZ-OD1 2.93Å; D211-Y214 WeakPolarHBondContact O-CD1 3.29Å
212	E	93.5	Very high	97.3	Very high	93 Å²	93	45.3 Å²	45.3	44%	0.435	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-3.2	-178.9	70.6	-85.8	-152.3	0	0	114.1	W182 R210	W182-E212 HydrophobicContact CH2-CG 3.7Å; W182-E212 HydrophobicContact CZ3-CG 4.05Å; R210-E212 WeakPolarHBondContact CB-OE2 3.27Å; R210-E212 IonicContact CZ-OE1 2.92Å; R210-E212 IonicContact NE-OE1 2.68Å; R210-E212 PolarHBondContact NE-OE1 3.12Å; R210-E212 IonicContact NE-OE2 3.12Å; R210-E212 IonicContact NH2-OE1 3.15Å; R210-E212 PolarHBondContact NH2-OE1 2.92Å; R210-E212 PolarHBondContact O-N 2.75Å
213	A	97	Very high	97.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	55	-174	0	0	0	0	0	111.6	K166 A167 G168 W182 R210	K166-A213 HydrophobicContact CB-CB 3.77Å; K166-A213 CarbonylContact O-C 3.52Å; K166-A213 VanDerWaalsContact O-CA 3.29Å; K166-A213 WeakPolarHBondContact O-CA 3.37Å; A167-A213 CarbonylContact C-O 3.58Å; A167-A213 WeakPolarHBondContact CA-O 3.35Å; G168-A213 PolarHBondContact N-O 3.21Å; W182-A213 HydrophobicContact CE3-CB 3.99Å; W182-A213 HydrophobicContact CH2-CB 3.62Å; W182-A213 HydrophobicContact CZ2-CB 4.29Å; W182-A213 HydrophobicContact CZ3-CB 3.42Å; W182-A213 VanDerWaalsContact CZ3-CB 3.42Å; R210-A213 HydrophobicContact CB-CB 4.35Å; R210-A213 CarbonylContact O-C 3.56Å; R210-A213 VanDerWaalsContact O-C 3.3Å; R210-A213 PolarHBondContact O-N 2.83Å
214	Y	96.7	Very high	97.3	Very high	71 Å²	71	39.6 Å²	39.6	28%	0.278	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-2.5	-177.3	56.2	-93.2	0	0	0	114.4	I114 K117 C209 R210 D211 L216	I114-Y214 WeakPolarHBondContact CB-O 3.31Å; I114-Y214 VanDerWaalsContact CG2-O 3.3Å; I114-Y214 WeakPolarHBondContact CG2-O 3.17Å; K117-Y214 HydrophobicContact CB-CD1 4.09Å; K117-Y214 HydrophobicContact CB-CD2 4Å; K117-Y214 HydrophobicContact CB-CE1 4.16Å; K117-Y214 HydrophobicContact CB-CE2 4.06Å; K117-Y214 HydrophobicContact CB-CG 4.01Å; K117-Y214 HydrophobicContact CG-CD1 4.25Å; K117-Y214 HydrophobicContact CG-CG 4.28Å; C209-Y214 WeakPolarHBondContact SG-CB 3.28Å; R210-Y214 PolarHBondContact O-N 2.96Å; D211-Y214 WeakPolarHBondContact O-CD1 3.29Å; Y214-L216 VanDerWaalsContact C-N 3.25Å; Y214-L216 WeakPolarHBondContact O-CD1 3.31Å; Y214-L216 PolarHBondContact O-N 2.9Å
215	R	97.5	Very high	97.3	Very high	61 Å²	61	37.2 Å²	37.2	23%	0.23	17%	0.168	C	C	.	.			trans	-88.4	60.3	-165.6	-60.6	-88.3	-75.2	157	21.1	111	E115 E165 K166	E115-R215 WeakPolarHBondContact O-CD 3.19Å; E115-R215 PolarHBondContact O-NH1 3.27Å; E115-R215 IonicContact OE2-CZ 2.72Å; E115-R215 VanDerWaalsContact OE2-CZ 3.32Å; E115-R215 IonicContact OE2-NH1 2.6Å; E115-R215 PolarHBondContact OE2-NH1 3.43Å; E115-R215 IonicContact OE2-NH2 2.84Å; E115-R215 PolarHBondContact OE2-NH2 3.45Å; E115-R215 VanDerWaalsContact OE2-NH2 3.17Å; E165-R215 HydrophobicContact CB-CB 3.81Å; E165-R215 HydrophobicContact CG-CB 4.1Å; E165-R215 IonicContact OE1-CZ 2.63Å; E165-R215 IonicContact OE1-NE 3.07Å; E165-R215 PolarHBondContact OE1-NE 3Å; E165-R215 IonicContact OE1-NH2 2.87Å; E165-R215 PolarHBondContact OE1-NH2 2.97Å; E165-R215 VanDerWaalsContact OE2-CG 3.28Å; E165-R215 WeakPolarHBondContact OE2-CG 3.41Å; E165-R215 IonicContact OE2-NE 3.9Å; E165-R215 PolarHBondContact OE2-NE 2.89Å; E165-R215 VanDerWaalsContact OE2-NE 3.12Å; K166-R215 PolarHBondContact O-N 2.84Å
216	L	98.2	Very high	97.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	17%	0.169	C	C	.	.			trans	-73	130	178.7	-78.9	69.1	0	0	0	110.6	L110 S113 I114 L125 F127 I159 A167 V169 Y214	L110-L216 HydrophobicContact CD1-CB 3.68Å; L110-L216 HydrophobicContact CD1-CD2 3.9Å; L110-L216 HydrophobicContact CD1-CG 4.48Å; S113-L216 CarbonylContact C-O 3.52Å; S113-L216 WeakPolarHBondContact CA-O 3.26Å; I114-L216 HydrophobicContact CD1-CB 4.24Å; I114-L216 HydrophobicContact CG1-CB 4.44Å; I114-L216 PolarHBondContact N-O 2.64Å; L125-L216 HydrophobicContact CD1-CD2 3.67Å; F127-L216 HydrophobicContact CZ-CD2 4.46Å; I159-L216 HydrophobicContact CG2-CD2 4.06Å; A167-L216 HydrophobicContact CB-CD1 3.93Å; A167-L216 HydrophobicContact CB-CG 3.98Å; V169-L216 HydrophobicContact CG1-CD1 4.21Å; V169-L216 HydrophobicContact CG1-CD2 3.83Å; V169-L216 HydrophobicContact CG1-CG 4.48Å; Y214-L216 VanDerWaalsContact C-N 3.25Å; Y214-L216 WeakPolarHBondContact O-CD1 3.31Å; Y214-L216 PolarHBondContact O-N 2.9Å
217	H	98	Very high	97.3	Very high	20 Å²	20	40.5 Å²	40.5	9%	0.093	18%	0.182	C	C	.	.			trans	-76.1	135.3	173.9	-172.2	90.4	0	0	0	111	S160 Q162 W188 H219 Y221 S222	S160-H217 PolarHBondContact O-N 2.93Å; Q162-H217 PolarHBondContact OE1-CE1 3.38Å; Q162-H217 PolarHBondContact OE1-ND1 3.37Å; W188-H217 AromaticContact CH2-CD2 3.47Å; W188-H217 VanDerWaalsContact CH2-CD2 3.47Å; W188-H217 WeakPolarHBondContact CH2-CD2 3.11Å; W188-H217 AromaticContact CH2-CG 3.92Å; W188-H217 AromaticContact CH2-NE2 3.55Å; W188-H217 AromaticContact CZ3-CE1 4Å; W188-H217 AromaticContact CZ3-NE2 3.97Å; H217-H219 AromaticContact NE2-CD2 3.73Å; H217-Y221 AromaticContact CD2-CD2 3.46Å; H217-Y221 VanDerWaalsContact CD2-CD2 3.46Å; H217-Y221 WeakPolarHBondContact CD2-CD2 3.36Å; H217-Y221 AromaticContact CD2-CG 3.99Å; H217-Y221 AromaticContact NE2-CD2 3.54Å; H217-Y221 AromaticContact NE2-CE2 3.9Å; H217-S222 VanDerWaalsContact O-CB 3.32Å; H217-S222 WeakPolarHBondContact O-CB 3.15Å; H217-S222 PolarHBondContact O-N 3.05Å; H217-S222 PolarHBondContact O-OG 2.68Å
218	G	97.7	Very high	97.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.186	C	C	.	.			trans	-84	-139.9	-174.6	0	0	0	0	0	114.8	L110 K112 S113 M220 Y221	L110-G218 CarbonylContact O-C 3.57Å; K112-G218 VanDerWaalsContact C-CA 3.46Å; K112-G218 WeakPolarHBondContact O-CA 3.38Å; S113-G218 PolarHBondContact OG-N 3.34Å; G218-M220 VanDerWaalsContact C-N 3.26Å; G218-M220 PolarHBondContact O-N 2.96Å; G218-M220 VanDerWaalsContact O-N 3.15Å; G218-Y221 WeakPolarHBondContact O-CB 3.16Å; G218-Y221 WeakPolarHBondContact O-CD2 3.46Å; G218-Y221 PolarHBondContact O-N 2.92Å
219	H	97.6	Very high	97.2	Very high	118 Å²	118	43.1 Å²	43.1	55%	0.546	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	42	174.1	-50.7	-61	0	0	0	114.2	L110 S111 H217 Y221	L110-H219 PolarHBondContact O-N 3.16Å; S111-H219 PolarHBondContact O-N 2.99Å; S111-H219 PolarHBondContact O-ND1 3.25Å; S111-H219 VanDerWaalsContact O-ND1 3.14Å; H217-H219 AromaticContact NE2-CD2 3.73Å; H219-Y221 HydrophobicContact CB-CD2 4.08Å; H219-Y221 HydrophobicContact CB-CE2 4.34Å; H219-Y221 PolarHBondContact O-N 2.93Å; H219-Y221 VanDerWaalsContact O-N 3.13Å
220	M	97.6	Very high	97.1	Very high	48 Å²	48	50.1 Å²	50.1	24%	0.236	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	-2.8	-175.6	-55.1	-67	-61.7	0	0	116.7	Y107 G109 L110 S129 M131 G218 S222	Y107-M220 HydrophobicContact CE1-CE 4.05Å; Y107-M220 HydrophobicContact CE2-CE 4.34Å; G109-M220 VanDerWaalsContact CA-SD 3.58Å; L110-M220 PolarHBondContact O-N 2.79Å; S129-M220 PolarHBondContact OG-SD 2.85Å; M131-M220 HydrophobicContact CG-CE 3.6Å; M131-M220 HydrophobicContact SD-CE 4.39Å; G218-M220 VanDerWaalsContact C-N 3.26Å; G218-M220 PolarHBondContact O-N 2.96Å; G218-M220 VanDerWaalsContact O-N 3.15Å; M220-S222 VanDerWaalsContact C-N 3.26Å; M220-S222 PolarHBondContact O-N 3.36Å
221	Y	98.2	Very high	97.1	Very high	126 Å²	126	49.1 Å²	49.1	49%	0.494	23%	0.226	S	C	.	.	S	Bend	trans	-71.4	-20.9	176.3	-69.5	-79.7	0	0	0	113.8	S160 W188 H217 G218 H219	S160-Y221 PolarHBondContact OG-O 3.28Å; W188-Y221 AromaticContact CH2-CD1 3.83Å; W188-Y221 HydrophobicContact CH2-CD1 3.83Å; W188-Y221 AromaticContact CH2-CD2 3.67Å; W188-Y221 HydrophobicContact CH2-CD2 3.67Å; W188-Y221 AromaticContact CH2-CE1 3.87Å; W188-Y221 HydrophobicContact CH2-CE1 3.87Å; W188-Y221 AromaticContact CH2-CE2 3.71Å; W188-Y221 HydrophobicContact CH2-CE2 3.71Å; W188-Y221 AromaticContact CH2-CG 3.7Å; W188-Y221 HydrophobicContact CH2-CG 3.7Å; W188-Y221 AromaticContact CH2-CZ 3.79Å; W188-Y221 AromaticContact CZ2-CD1 3.39Å; W188-Y221 HydrophobicContact CZ2-CD1 3.39Å; W188-Y221 HydrophobicContact CZ2-CD2 4.04Å; W188-Y221 AromaticContact CZ2-CE1 3.69Å; W188-Y221 HydrophobicContact CZ2-CE1 3.69Å; W188-Y221 HydrophobicContact CZ2-CE2 4.3Å; W188-Y221 AromaticContact CZ2-CG 3.56Å; W188-Y221 HydrophobicContact CZ2-CG 3.56Å; H217-Y221 AromaticContact CD2-CD2 3.46Å; H217-Y221 VanDerWaalsContact CD2-CD2 3.46Å; H217-Y221 WeakPolarHBondContact CD2-CD2 3.36Å; H217-Y221 AromaticContact CD2-CG 3.99Å; H217-Y221 AromaticContact NE2-CD2 3.54Å; H217-Y221 AromaticContact NE2-CE2 3.9Å; G218-Y221 WeakPolarHBondContact O-CB 3.16Å; G218-Y221 WeakPolarHBondContact O-CD2 3.46Å; G218-Y221 PolarHBondContact O-N 2.92Å; H219-Y221 HydrophobicContact CB-CD2 4.08Å; H219-Y221 HydrophobicContact CB-CE2 4.34Å; H219-Y221 PolarHBondContact O-N 2.93Å; H219-Y221 VanDerWaalsContact O-N 3.13Å
222	S	98.5	Very high	96.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-106.7	123.7	160.4	-55.8	0	0	0	0	108.1	G109 L110 V158 S160 H217 M220	G109-S222 WeakPolarHBondContact CA-O 3.48Å; L110-S222 PolarHBondContact N-O 2.72Å; V158-S222 CarbonylContact O-C 3.3Å; V158-S222 VanDerWaalsContact O-CA 3.26Å; V158-S222 WeakPolarHBondContact O-CA 3.48Å; S160-S222 PolarHBondContact N-OG 2.84Å; S160-S222 VanDerWaalsContact N-OG 3.07Å; H217-S222 VanDerWaalsContact O-CB 3.32Å; H217-S222 WeakPolarHBondContact O-CB 3.15Å; H217-S222 PolarHBondContact O-N 3.05Å; H217-S222 PolarHBondContact O-OG 2.68Å; M220-S222 VanDerWaalsContact C-N 3.26Å; M220-S222 PolarHBondContact O-N 3.36Å
223	S	98.6	Very high	95.8	Very high	11 Å²	11	50.3 Å²	50.3	8%	0.077	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.4	-176.9	54.8	0	0	0	0	113.4	T108 V158	T108-S223 CarbonylContact O-C 3.47Å; T108-S223 VanDerWaalsContact O-CA 3.24Å; T108-S223 WeakPolarHBondContact O-CA 3.44Å; T108-S223 WeakPolarHBondContact O-CB 3.33Å; V158-S223 PolarHBondContact N-O 3.45Å; V158-S223 PolarHBondContact O-N 3.23Å; V158-S223 VanDerWaalsContact O-O 3.11Å
224	L	98.7	Very high	93.9	Very high	1 Å²	1	59 Å²	59	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.2	169.9	177	67.8	0	0	0	107.6	F106 T108 F127 Y138 V157 L171 L207	F106-L224 HydrophobicContact CE2-CD2 3.87Å; F106-L224 HydrophobicContact CE2-CG 3.77Å; F106-L224 HydrophobicContact CZ-CD2 4.06Å; F106-L224 HydrophobicContact CZ-CG 3.97Å; T108-L224 HydrophobicContact CG2-CB 4.08Å; T108-L224 WeakPolarHBondContact CG2-O 3.41Å; T108-L224 PolarHBondContact N-O 2.77Å; T108-L224 PolarHBondContact O-N 3.48Å; T108-L224 VanDerWaalsContact O-O 3.09Å; F127-L224 HydrophobicContact CD1-CB 4.3Å; F127-L224 HydrophobicContact CE1-CB 4.42Å; Y138-L224 HydrophobicContact CE2-CD2 4.29Å; V157-L224 HydrophobicContact CG2-CD1 3.82Å; L171-L224 HydrophobicContact CD1-CD1 4.13Å; L207-L224 HydrophobicContact CD1-CB 3.99Å; L207-L224 HydrophobicContact CD1-CD1 4.13Å; L207-L224 HydrophobicContact CD1-CD2 4.12Å; L207-L224 HydrophobicContact CD1-CG 4.3Å; L207-L224 HydrophobicContact CG-CD1 4.44Å; L207-L224 HydrophobicContact CG-CD2 4.31Å
225	S	98.7	Very high	93.7	Very high	29 Å²	29	58.5 Å²	58.5	20%	0.203	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	158.9	167.2	65.3	0	0	0	0	110.5	F106 F155 V156	F106-S225 VanDerWaalsContact O-CA 3.28Å; F106-S225 WeakPolarHBondContact O-CA 3.33Å; F106-S225 WeakPolarHBondContact O-CB 3.37Å; F155-S225 CarbonylContact C-O 3.53Å; F155-S225 VanDerWaalsContact CA-O 3.3Å; F155-S225 WeakPolarHBondContact CA-O 3.35Å; V156-S225 PolarHBondContact N-O 3.02Å; V156-S225 PolarHBondContact O-N 3.19Å
226	G	98.6	Very high	93.5	Very high	2 Å²	2	58.3 Å²	58.3	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	158.4	170.1	0	0	0	0	0	112.6	A105 F106 I154	A105-G226 CarbonylContact C-O 3.47Å; A105-G226 WeakPolarHBondContact CA-O 3.39Å; F106-G226 WeakPolarHBondContact CD1-O 3.17Å; F106-G226 PolarHBondContact N-O 2.91Å; F106-G226 PolarHBondContact O-N 3.21Å; F106-G226 VanDerWaalsContact O-N 3.08Å; I154-G226 CarbonylContact O-C 3.22Å; I154-G226 WeakPolarHBondContact O-CA 3.18Å
227	Y	98.3	Very high	93.3	Very high	95 Å²	95	61.5 Å²	61.5	37%	0.373	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	153.1	-178.3	56.5	-87.8	0	0	0	111.7	I104 Y153 I154 L229	I104-Y227 VanDerWaalsContact O-CA 3.3Å; I104-Y227 WeakPolarHBondContact O-CA 3.35Å; Y153-Y227 WeakPolarHBondContact CA-O 3.13Å; I154-Y227 HydrophobicContact CB-CD1 4.4Å; I154-Y227 HydrophobicContact CB-CD2 4.44Å; I154-Y227 HydrophobicContact CB-CE1 3.98Å; I154-Y227 HydrophobicContact CB-CE2 4.03Å; I154-Y227 HydrophobicContact CD1-CE2 3.83Å; I154-Y227 WeakPolarHBondContact CD1-OH 3.35Å; I154-Y227 HydrophobicContact CG1-CE2 4.28Å; I154-Y227 HydrophobicContact CG2-CD1 4.45Å; I154-Y227 HydrophobicContact CG2-CE1 3.73Å; I154-Y227 PolarHBondContact N-O 3.33Å; I154-Y227 PolarHBondContact O-N 2.88Å; Y227-L229 HydrophobicContact CE2-CD1 4.49Å; Y227-L229 PolarHBondContact O-N 3.26Å
228	L	97.7	Very high	93	Very high	19 Å²	19	63.9 Å²	63.9	10%	0.099	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	122.9	171.9	-179.9	69.3	0	0	0	109.3	I104 Y153 Y230 P231	I104-L228 HydrophobicContact CB-CB 4.06Å; I104-L228 HydrophobicContact CD1-CD2 4.27Å; I104-L228 PolarHBondContact O-N 2.85Å; Y153-L228 HydrophobicContact CD1-CB 4.29Å; Y153-L228 HydrophobicContact CD1-CD1 4.49Å; Y153-L228 HydrophobicContact CD2-CD1 4.08Å; Y153-L228 HydrophobicContact CE1-CB 3.84Å; Y153-L228 HydrophobicContact CE1-CD1 4.07Å; Y153-L228 HydrophobicContact CE2-CD1 3.6Å; Y153-L228 HydrophobicContact CG-CD1 4.49Å; L228-Y230 WeakPolarHBondContact CD1-O 3.49Å; L228-P231 HydrophobicContact CD2-CB 4.08Å
229	L	96.6	Very high	92.7	Very high	50 Å²	50	67.9 Å²	67.9	26%	0.262	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-51.2	174.6	-176.5	67.6	0	0	0	110.6	V152 I154 Y227	V152-L229 HydrophobicContact CG1-CB 4.46Å; V152-L229 HydrophobicContact CG1-CD2 4.18Å; V152-L229 WeakPolarHBondContact O-CA 3.29Å; V152-L229 WeakPolarHBondContact O-CB 3.47Å; V152-L229 PolarHBondContact O-N 3.48Å; I154-L229 HydrophobicContact CD1-CB 4.48Å; I154-L229 HydrophobicContact CD1-CD1 4.05Å; I154-L229 HydrophobicContact CD1-CD2 4.06Å; I154-L229 HydrophobicContact CD1-CG 4.43Å; I154-L229 HydrophobicContact CG1-CB 4.37Å; I154-L229 HydrophobicContact CG1-CD2 4.35Å; Y227-L229 HydrophobicContact CE2-CD1 4.49Å; Y227-L229 PolarHBondContact O-N 3.26Å
230	Y	94.3	Very high	92.4	Very high	150 Å²	150	64.6 Å²	64.6	59%	0.588	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.3	121.5	179.2	-55	-57	0	0	0	110.3	G151 V152 L228	G151-Y230 CarbonylContact C-O 3.51Å; G151-Y230 WeakPolarHBondContact CA-O 3.39Å; V152-Y230 HydrophobicContact CB-CD2 4.26Å; V152-Y230 PolarHBondContact N-O 3.07Å; V152-Y230 PolarHBondContact O-N 3.27Å; L228-Y230 WeakPolarHBondContact CD1-O 3.49Å
231	P	94.3	Very high	92	Very high	52 Å²	52	65.8 Å²	65.8	34%	0.338	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	151.9	168.3	28.2	-33.1	0	0	0	110.5	Y102 L228	Y102-P231 HydrophobicContact CD1-CB 3.62Å; Y102-P231 HydrophobicContact CD1-CG 4.27Å; Y102-P231 HydrophobicContact CD2-CB 4.3Å; Y102-P231 HydrophobicContact CD2-CG 4.07Å; Y102-P231 HydrophobicContact CE1-CB 3.64Å; Y102-P231 HydrophobicContact CE1-CG 4.38Å; Y102-P231 HydrophobicContact CE2-CB 4.35Å; Y102-P231 HydrophobicContact CE2-CG 4.23Å; Y102-P231 HydrophobicContact CG-CB 3.96Å; Y102-P231 HydrophobicContact CG-CG 4.11Å; L228-P231 HydrophobicContact CD2-CB 4.08Å
232	H	87.6	Confident	91.5	Very high	93 Å²	93	61.2 Å²	61.2	43%	0.431	30%	0.302	S	S	.	.			trans	-132.5	108.4	169.4	-179.5	41.1	0	0	0	108.8	S150	S150-H232 WeakPolarHBondContact CB-O 3.43Å; S150-H232 PolarHBondContact O-N 3.14Å
233	D	72.4	Confident	91	Very high	109 Å²	109	66.3 Å²	66.3	58%	0.583	33%	0.327	S	S	*	.			trans	-76.1	135.4	172	-50.8	-51.7	0	0	0	109.5	Y102	Y102-D233 PolarHBondContact OH-OD1 3.02Å; Y102-D233 PolarHBondContact OH-OD2 3.05Å
234	I	56	Low	90.3	Very high	184 Å²	184	71.3 Å²	71.3	94%	0.944	35%	0.35	S	S	*	.			trans	-114.3	0	174.4	-56.8	176.6	0	0	0	107.6

Retrieved 234 of 234 residues in 256.4 ms (Link to these results)

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