A0A077ZDD3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZDD3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 216 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	41.1	Very low	30.8	Very low	235 Å²	235	161.2 Å²	161.2	100%	1.158	84%	0.837	S	S	*	*				0	130.7	0	-65.1	-178.6	-165.6	0	0	107.8
2	P	33.1	Very low	30.9	Very low	129 Å²	129	160.1 Å²	160.1	84%	0.838	83%	0.825	S	S	*	*			trans	-82.5	144.8	-169.7	29.4	-25.3	0	0	0	112.2	G4	P2-G4 PolarHBondContact O-N 3.39Å
3	L	32.8	Very low	30.9	Very low	186 Å²	186	166.1 Å²	166.1	97%	0.974	83%	0.833	S	S	*	*	S	Bend	trans	-58.8	114	172.1	-78.6	88.5	0	0	0	109.7
4	G	36.6	Very low	31.3	Very low	75 Å²	75	163.9 Å²	163.9	77%	0.773	81%	0.81	S	S	*	*			trans	-175.7	1	-178.8	0	0	0	0	0	119.8	P2	P2-G4 PolarHBondContact O-N 3.39Å
5	Q	33.6	Very low	31.7	Very low	189 Å²	189	163.4 Å²	163.4	88%	0.883	81%	0.805	S	S	*	*			trans	-104.8	95.3	178.4	-78.5	-177.4	-12.9	0	0	111.7	L7	Q5-L7 PolarHBondContact O-N 3.3Å
6	R	29.1	Very low	32	Very low	244 Å²	244	162.7 Å²	162.7	92%	0.921	79%	0.792	S	S	*	*			trans	-64.3	111	157.5	-88.4	-176.9	174.3	-176.3	-1.3	107.5	Q8	R6-Q8 PolarHBondContact O-N 3.29Å
7	L	27.8	Very low	32.5	Very low	169 Å²	169	155.1 Å²	155.1	89%	0.885	76%	0.755	S	S	*	*			trans	-61.4	104.3	165.3	-69.9	165.2	0	0	0	107.7	Q5	Q5-L7 PolarHBondContact O-N 3.3Å
8	Q	25.8	Very low	33	Very low	172 Å²	172	148.8 Å²	148.8	80%	0.804	73%	0.729	S	S	*	*			trans	-71	131.8	167.4	-70.9	-168.1	-2.5	0	0	108	R6 V10	R6-Q8 PolarHBondContact O-N 3.29Å; Q8-V10 PolarHBondContact O-N 3.15Å
9	P	26.5	Very low	33.5	Very low	88 Å²	88	142.7 Å²	142.7	57%	0.571	70%	0.702	S	S	*	*			trans	-65.7	119.4	174.5	26.4	-30.9	0	0	0	108.5	Y11	P9-Y11 HydrophobicContact CB-CD2 4.48Å; P9-Y11 HydrophobicContact CB-CE2 4.21Å; P9-Y11 HydrophobicContact CG-CD2 4.31Å; P9-Y11 HydrophobicContact CG-CE2 3.79Å; P9-Y11 WeakPolarHBondContact O-CD2 3.4Å; P9-Y11 PolarHBondContact O-N 3.4Å
10	V	26.5	Very low	34	Very low	130 Å²	130	140.3 Å²	140.3	79%	0.788	70%	0.699	S	S	*	*			trans	-64.4	104.2	168.2	179.7	0	0	0	0	106.8	Q8 E12	Q8-V10 PolarHBondContact O-N 3.15Å; V10-E12 PolarHBondContact O-N 2.82Å
11	Y	26.4	Very low	34.5	Very low	156 Å²	156	142.8 Å²	142.8	61%	0.612	70%	0.701	S	S	*	*			trans	-81.4	98.8	164.9	-77.9	-89.7	0	0	0	106.9	P9 Y13 R76	P9-Y11 HydrophobicContact CB-CD2 4.48Å; P9-Y11 HydrophobicContact CB-CE2 4.21Å; P9-Y11 HydrophobicContact CG-CD2 4.31Å; P9-Y11 HydrophobicContact CG-CE2 3.79Å; P9-Y11 WeakPolarHBondContact O-CD2 3.4Å; P9-Y11 PolarHBondContact O-N 3.4Å; Y11-Y13 PolarHBondContact O-N 2.96Å; Y11-R76 VanDerWaalsContact CE1-NH2 3.29Å
12	E	31.9	Very low	34.5	Very low	148 Å²	148	133.9 Å²	133.9	69%	0.692	65%	0.654	S	S	*	*			trans	-56.9	125.5	160	-81	-179.9	164.5	0	0	108	V10 R14	V10-E12 PolarHBondContact O-N 2.82Å; E12-R14 PolarHBondContact O-N 3.31Å
13	Y	30.8	Very low	34.7	Very low	238 Å²	238	130 Å²	130	93%	0.933	63%	0.629	S	S	*	*			trans	-67	79	175.4	-136.7	-92.2	0	0	0	108.1	Y11 E15	Y11-Y13 PolarHBondContact O-N 2.96Å; Y13-E15 PolarHBondContact O-N 3.32Å
14	R	36.2	Very low	34.9	Very low	136 Å²	136	123.7 Å²	123.7	51%	0.513	60%	0.598	S	S	.	*			trans	-75.9	115.5	168.1	-74.9	-168.9	-177.3	-160.3	0.2	107.5	E12 Y16 F175	E12-R14 PolarHBondContact O-N 3.31Å; R14-Y16 PolarHBondContact O-N 3.19Å; R14-F175 PolarHBondContact NH1-O 2.8Å
15	E	37.6	Very low	34.7	Very low	156 Å²	156	124.1 Å²	124.1	73%	0.729	58%	0.58	S	S	*	*			trans	-49.5	124	175.9	-153.8	171.8	-161.6	0	0	109.5	Y13 I17	Y13-E15 PolarHBondContact O-N 3.32Å; E15-I17 PolarHBondContact O-N 3.31Å; E15-I17 VanDerWaalsContact O-N 3.15Å
16	Y	35.6	Very low	34.7	Very low	152 Å²	152	119.4 Å²	119.4	60%	0.596	56%	0.56	S	S	*	*			trans	-65.5	114.1	176.8	172.5	-98.6	0	0	0	108.6	R14 P18 V75	R14-Y16 PolarHBondContact O-N 3.19Å; Y16-P18 HydrophobicContact CE1-CB 4.24Å; Y16-P18 WeakPolarHBondContact O-CD 3.2Å; Y16-V75 HydrophobicContact CE2-CG1 4.31Å
17	I	41.5	Very low	34.7	Very low	34 Å²	34	112.4 Å²	112.4	17%	0.174	54%	0.544	C	S	.	.			trans	-89.3	112.6	175.2	-56.6	179.2	0	0	0	107.2	E15 R21 W22	E15-I17 PolarHBondContact O-N 3.31Å; E15-I17 VanDerWaalsContact O-N 3.15Å; I17-R21 HydrophobicContact CG2-CB 3.5Å; I17-R21 VanDerWaalsContact CG2-CB 3.5Å; I17-W22 PolarHBondContact O-NE1 2.74Å
18	P	41.4	Very low	34.9	Very low	42 Å²	42	106.6 Å²	106.6	27%	0.273	52%	0.516	S	S	.	.			trans	-60.4	147.7	177.3	25.5	-33.1	0	0	0	110.2	Y16 S20 R21	Y16-P18 HydrophobicContact CE1-CB 4.24Å; Y16-P18 WeakPolarHBondContact O-CD 3.2Å; P18-S20 PolarHBondContact O-N 3.29Å; P18-R21 HydrophobicContact CG-CB 4.49Å; P18-R21 HydrophobicContact CG-CG 4.16Å; P18-R21 PolarHBondContact O-N 3.37Å
19	P	42.3	Very low	35.1	Very low	33 Å²	33	102.2 Å²	102.2	21%	0.214	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-48.7	-32.5	-179.5	-30.4	35.8	0	0	0	114.8	R21 W22	P19-R21 PolarHBondContact O-N 2.91Å; P19-W22 WeakPolarHBondContact O-CB 3.27Å; P19-W22 PolarHBondContact O-N 3Å
20	S	44.5	Very low	35.3	Very low	94 Å²	94	100.2 Å²	100.2	66%	0.657	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-62.9	-9.5	175.2	59.3	0	0	0	0	115.7	P18	P18-S20 PolarHBondContact O-N 3.29Å
21	R	42.8	Very low	35.3	Very low	193 Å²	193	98.5 Å²	98.5	73%	0.728	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-115.6	8.9	177.3	-68.5	-172.7	-178.2	-176.5	0.1	112.6	I17 P18 P19	I17-R21 HydrophobicContact CG2-CB 3.5Å; I17-R21 VanDerWaalsContact CG2-CB 3.5Å; P18-R21 HydrophobicContact CG-CB 4.49Å; P18-R21 HydrophobicContact CG-CG 4.16Å; P18-R21 PolarHBondContact O-N 3.37Å; P19-R21 PolarHBondContact O-N 2.91Å
22	W	42	Very low	35.3	Very low	47 Å²	47	95 Å²	95	18%	0.178	49%	0.485	C	S	.	.	S	Bend	trans	-72.8	144.6	173.4	-67	10.9	0	0	0	109	I17 P19 T24 I80 F124	I17-W22 PolarHBondContact O-NE1 2.74Å; P19-W22 WeakPolarHBondContact O-CB 3.27Å; P19-W22 PolarHBondContact O-N 3Å; W22-T24 PolarHBondContact O-N 3.07Å; W22-I80 HydrophobicContact CZ3-CD1 4.25Å; W22-I80 HydrophobicContact CZ3-CG1 4.48Å; W22-F124 HydrophobicContact CE3-CE1 4.34Å; W22-F124 AromaticContact CE3-CZ 3.88Å; W22-F124 HydrophobicContact CE3-CZ 3.88Å; W22-F124 HydrophobicContact CZ3-CE1 4.44Å; W22-F124 AromaticContact CZ3-CZ 3.83Å; W22-F124 HydrophobicContact CZ3-CZ 3.83Å
23	P	38.2	Very low	35.1	Very low	47 Å²	47	92.8 Å²	92.8	31%	0.305	48%	0.483	S	S	.	.			trans	-60.4	131.2	173.5	22.7	-29.5	0	0	0	109.6	E25 F175	P23-E25 VanDerWaalsContact C-N 3.33Å; P23-F175 HydrophobicContact CG-CD1 3.98Å; P23-F175 HydrophobicContact CG-CE1 3.25Å; P23-F175 HydrophobicContact CG-CZ 3.84Å
24	T	36.9	Very low	34.7	Very low	54 Å²	54	89.8 Å²	89.8	33%	0.331	48%	0.475	S	S	.	.	S	Bend	trans	-79.3	-17.7	-174.4	52.9	0	0	0	0	113.2	W22 A123 Q126	W22-T24 PolarHBondContact O-N 3.07Å; T24-A123 HydrophobicContact CG2-CB 4.41Å; T24-Q126 HydrophobicContact CG2-CB 4.18Å; T24-Q126 VanDerWaalsContact CG2-OE1 3.29Å
25	E	31.2	Very low	34.2	Very low	85 Å²	85	88.6 Å²	88.6	40%	0.397	48%	0.477	S	S	.	.			trans	-146.8	146.4	178.5	59.6	179.9	-156.1	0	0	110.9	P23	P23-E25 VanDerWaalsContact C-N 3.33Å
26	I	32.9	Very low	33.7	Very low	89 Å²	89	89.9 Å²	89.9	46%	0.456	48%	0.482	S	S	.	.			trans	-133.6	101.5	169.2	-55.6	176.7	0	0	0	107.6	V28 P173 F175	I26-V28 HydrophobicContact CG2-CG2 3.84Å; I26-P173 HydrophobicContact CD1-CB 4.3Å; I26-F175 HydrophobicContact CD1-CE1 3.95Å; I26-F175 HydrophobicContact CD1-CZ 4.11Å
27	T	31	Very low	33.3	Very low	97 Å²	97	88.3 Å²	88.3	60%	0.595	48%	0.481	S	S	*	.			trans	-81.3	118.1	176.9	-45	0	0	0	0	109.8	F209	T27-F209 WeakPolarHBondContact O-CE1 3.43Å; T27-F209 WeakPolarHBondContact O-CZ 3.42Å
28	V	31.8	Very low	32.8	Very low	47 Å²	47	97.3 Å²	97.3	29%	0.285	51%	0.513	S	S	.	.			trans	-118.2	102.9	-179.7	-173.6	0	0	0	0	109.9	I26 G30 F209	I26-V28 HydrophobicContact CG2-CG2 3.84Å; V28-G30 PolarHBondContact O-N 2.92Å; V28-F209 HydrophobicContact CB-CE2 4.31Å; V28-F209 HydrophobicContact CG1-CD2 4.09Å; V28-F209 HydrophobicContact CG1-CE2 3.79Å
29	A	28.8	Very low	32.4	Very low	81 Å²	81	97.4 Å²	97.4	67%	0.669	51%	0.514	S	S	*	.			trans	-72.1	115.6	167.2	0	0	0	0	0	109
30	G	31.2	Very low	32	Very low	46 Å²	46	102.6 Å²	102.6	47%	0.474	54%	0.54	S	S	.	.			trans	-157.3	134.5	179.7	0	0	0	0	0	112.8	V28	V28-G30 PolarHBondContact O-N 2.92Å
31	S	26.7	Very low	31.6	Very low	94 Å²	94	101.5 Å²	101.5	66%	0.657	53%	0.527	S	S	*	.	B	Isolated β-bridge	trans	-95.9	136.9	177.5	51.9	0	0	0	0	111.3
32	Y	26.4	Very low	31.2	Very low	83 Å²	83	97.3 Å²	97.3	33%	0.325	52%	0.523	S	S	.	.			trans	-69.6	126.7	169.4	-85.4	-101.7	0	0	0	109.7	F34 D41	Y32-F34 PolarHBondContact O-N 2.92Å; Y32-D41 PolarHBondContact OH-OD2 3.33Å
33	P	26.4	Very low	31	Very low	101 Å²	101	98 Å²	98	66%	0.656	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-6.2	175.5	27.2	-31.4	0	0	0	113.4
34	F	24	Very low	31	Very low	174 Å²	174	103.3 Å²	103.3	76%	0.763	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	126.9	168.7	-99.3	-97	0	0	0	109.6	Y32	Y32-F34 PolarHBondContact O-N 2.92Å
35	M	24.7	Very low	31.1	Very low	111 Å²	111	103.6 Å²	103.6	55%	0.547	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	77.1	3.4	176.7	-58.3	-154.8	-72.6	0	0	119.8	Q37 D153	M35-Q37 PolarHBondContact O-N 3.06Å; M35-D153 HydrophobicContact CE-CB 4.14Å; M35-D153 WeakPolarHBondContact CE-OD1 2.96Å; M35-D153 WeakPolarHBondContact CE-OD2 3.06Å
36	H	26.7	Very low	31.9	Very low	183 Å²	183	103 Å²	103	85%	0.847	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	23	176.8	-65.4	-68.1	0	0	0	114.2
37	Q	28.2	Very low	32.6	Very low	119 Å²	119	99.4 Å²	99.4	56%	0.556	53%	0.53	S	S	*	.			trans	-87	128.5	177.2	-106.6	173.7	-20.9	0	0	109.6	M35 S39	M35-Q37 PolarHBondContact O-N 3.06Å; Q37-S39 PolarHBondContact O-N 2.85Å
38	W	30.3	Very low	33.7	Very low	224 Å²	224	96.2 Å²	96.2	85%	0.848	51%	0.508	S	S	*	.	B	Isolated β-bridge	trans	-74.4	117.5	163.5	-71.6	56.8	0	0	0	106.3
39	S	33.2	Very low	34.8	Very low	43 Å²	43	95.7 Å²	95.7	30%	0.301	50%	0.502	S	S	.	.			trans	-117.3	114	170.5	177.5	0	0	0	0	107.3	Q37 D41	Q37-S39 PolarHBondContact O-N 2.85Å; S39-D41 PolarHBondContact O-N 3.06Å; S39-D41 PolarHBondContact OG-N 3.16Å; S39-D41 PolarHBondContact OG-OD2 2.02Å
40	D	34.7	Very low	36.2	Very low	142 Å²	142	92 Å²	92	76%	0.759	47%	0.471	S	S	*	.			trans	-81.6	60.4	166.5	-59.6	-29.6	0	0	0	108.2	T42	D40-T42 PolarHBondContact O-N 3Å; D40-T42 PolarHBondContact O-OG1 2.79Å
41	D	34.7	Very low	37.6	Very low	72 Å²	72	92.8 Å²	92.8	39%	0.385	46%	0.462	S	S	.	.			trans	-67.5	99.6	178.7	-94.3	-40.8	0	0	0	109.4	Y32 S39 I43	Y32-D41 PolarHBondContact OH-OD2 3.33Å; S39-D41 PolarHBondContact O-N 3.06Å; S39-D41 PolarHBondContact OG-N 3.16Å; S39-D41 PolarHBondContact OG-OD2 2.02Å; D41-I43 PolarHBondContact O-N 3.43Å
42	T	34.5	Very low	39	Very low	105 Å²	105	91.8 Å²	91.8	64%	0.644	45%	0.447	S	S	*	.			trans	-81	96.1	174.6	-51.7	0	0	0	0	108.6	D40 K44	D40-T42 PolarHBondContact O-N 3Å; D40-T42 PolarHBondContact O-OG1 2.79Å; T42-K44 PolarHBondContact O-N 3.34Å; T42-K44 VanDerWaalsContact O-N 3.17Å
43	I	37.7	Very low	40.2	Very low	62 Å²	62	88.6 Å²	88.6	32%	0.318	44%	0.436	S	S	.	.			trans	-77.4	100.9	170.3	-58	178.9	0	0	0	107.5	D41 P45 D82 D171	D41-I43 PolarHBondContact O-N 3.43Å; I43-P45 VanDerWaalsContact O-CD 3.29Å; I43-P45 WeakPolarHBondContact O-CD 3.4Å; I43-D82 WeakPolarHBondContact CG2-OD2 2.98Å; I43-D171 VanDerWaalsContact CD1-OD2 3.31Å; I43-D171 WeakPolarHBondContact CD1-OD2 3.23Å
44	K	39.5	Very low	41.4	Very low	158 Å²	158	87.1 Å²	87.1	69%	0.687	42%	0.422	S	S	*	.			trans	-67.6	116.4	165.2	-64.7	-174.7	179.7	-172.7	0	107.2	T42 Q46	T42-K44 PolarHBondContact O-N 3.34Å; T42-K44 VanDerWaalsContact O-N 3.17Å; K44-Q46 PolarHBondContact O-N 2.88Å
45	P	39.2	Very low	42.8	Very low	60 Å²	60	79.2 Å²	79.2	39%	0.39	39%	0.39	S	S	.	.			trans	-57.9	114.9	167.5	-11.1	24.8	0	0	0	106	I43 P47 I80 F124	I43-P45 VanDerWaalsContact O-CD 3.29Å; I43-P45 WeakPolarHBondContact O-CD 3.4Å; P45-P47 WeakPolarHBondContact O-CD 3.49Å; P45-I80 HydrophobicContact CB-CD1 3.71Å; P45-F124 HydrophobicContact CB-CD1 4.17Å; P45-F124 HydrophobicContact CB-CE1 4.11Å; P45-F124 HydrophobicContact CG-CD1 4.18Å; P45-F124 HydrophobicContact CG-CE1 4.32Å
46	Q	47.6	Very low	44	Very low	73 Å²	73	78.2 Å²	78.2	34%	0.341	38%	0.383	S	S	.	.			trans	-96.4	81.2	164.7	-73.1	-172.7	20.6	0	0	105.8	K44 F48 K49 N71	K44-Q46 PolarHBondContact O-N 2.88Å; Q46-F48 PolarHBondContact O-N 3.18Å; Q46-K49 PolarHBondContact O-N 2.91Å; Q46-N71 WeakPolarHBondContact O-CB 3.5Å; Q46-N71 VanDerWaalsContact O-CG 3.32Å; Q46-N71 PolarHBondContact O-ND2 3.15Å
47	P	48.2	Very low	45.1	Very low	13 Å²	13	69.5 Å²	69.5	8%	0.084	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	140.3	-171.7	35.8	-41.6	0	0	0	107.4	P45 K49 I80 L118 F124	P45-P47 WeakPolarHBondContact O-CD 3.49Å; P47-K49 VanDerWaalsContact C-N 3.28Å; P47-K49 PolarHBondContact O-N 3.45Å; P47-I80 HydrophobicContact CB-CD1 3.9Å; P47-L118 HydrophobicContact CG-CB 4.4Å; P47-F124 HydrophobicContact CB-CZ 4.44Å; P47-F124 HydrophobicContact CG-CD2 4.28Å; P47-F124 HydrophobicContact CG-CE1 4.44Å; P47-F124 HydrophobicContact CG-CE2 4.08Å; P47-F124 HydrophobicContact CG-CZ 4.16Å
48	F	53.3	Low	45.6	Very low	29 Å²	29	66.7 Å²	66.7	13%	0.127	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	11.4	172.3	-42	-89.6	0	0	0	117	Q46 P73 L108 L110 L118	Q46-F48 PolarHBondContact O-N 3.18Å; F48-P73 HydrophobicContact CD1-CG 3.55Å; F48-P73 HydrophobicContact CE1-CB 3.93Å; F48-P73 HydrophobicContact CE1-CG 3.26Å; F48-P73 HydrophobicContact CG-CG 4.37Å; F48-P73 HydrophobicContact CZ-CB 4.07Å; F48-P73 HydrophobicContact CZ-CG 3.89Å; F48-L108 HydrophobicContact CD1-CB 4.03Å; F48-L108 HydrophobicContact CD1-CD1 3.25Å; F48-L108 HydrophobicContact CD1-CG 4.21Å; F48-L108 HydrophobicContact CE1-CD1 3.62Å; F48-L108 HydrophobicContact CG-CD1 4.39Å; F48-L110 HydrophobicContact CB-CD1 3.54Å; F48-L110 HydrophobicContact CB-CG 4.32Å; F48-L110 HydrophobicContact CD1-CD1 3.33Å; F48-L110 HydrophobicContact CD1-CD2 4.15Å; F48-L110 HydrophobicContact CD1-CG 3.85Å; F48-L110 HydrophobicContact CD2-CD1 3.52Å; F48-L110 HydrophobicContact CE1-CD1 3.91Å; F48-L110 HydrophobicContact CE1-CD2 4.25Å; F48-L110 HydrophobicContact CE1-CG 4.41Å; F48-L110 HydrophobicContact CE2-CD1 4.08Å; F48-L110 HydrophobicContact CG-CD1 3.18Å; F48-L110 HydrophobicContact CG-CG 4.11Å; F48-L110 HydrophobicContact CZ-CD1 4.28Å; F48-L118 HydrophobicContact CD2-CB 4.18Å; F48-L118 HydrophobicContact CD2-CD1 3.62Å; F48-L118 HydrophobicContact CD2-CG 4.39Å; F48-L118 HydrophobicContact CE1-CD1 4.48Å; F48-L118 HydrophobicContact CE2-CB 4.08Å; F48-L118 HydrophobicContact CE2-CD1 3.18Å; F48-L118 HydrophobicContact CE2-CD2 3.93Å; F48-L118 HydrophobicContact CE2-CG 3.9Å; F48-L118 HydrophobicContact CG-CD1 4.48Å; F48-L118 HydrophobicContact CZ-CD1 3.72Å
49	K	54.2	Low	46.3	Very low	37 Å²	37	57.8 Å²	57.8	16%	0.161	31%	0.311	C	S	.	.			trans	-116.7	125.1	173.1	-62.7	-172.7	-172.7	-175	0	110.7	Q46 P47 N71 R104 E119	Q46-K49 PolarHBondContact O-N 2.91Å; P47-K49 VanDerWaalsContact C-N 3.28Å; P47-K49 PolarHBondContact O-N 3.45Å; K49-N71 PolarHBondContact O-ND2 2.63Å; K49-R104 HydrophobicContact CB-CB 4.42Å; K49-R104 HydrophobicContact CD-CB 4.44Å; K49-E119 IonicContact NZ-OE1 3.77Å; K49-E119 PolarHBondContact NZ-OE1 3.36Å; K49-E119 IonicContact NZ-OE2 3.25Å; K49-E119 PolarHBondContact NZ-OE2 2.73Å
50	S	59.7	Low	46.9	Very low	4 Å²	4	60.7 Å²	60.7	3%	0.028	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.9	166.2	-50.8	0	0	0	0	109.1	S69 L70 R104 K105	S50-S69 WeakPolarHBondContact CA-O 3.31Å; S50-L70 WeakPolarHBondContact OG-CD1 3.26Å; S50-R104 WeakPolarHBondContact O-CA 3.25Å; S50-K105 PolarHBondContact N-O 2.86Å; S50-K105 VanDerWaalsContact N-O 3.16Å; S50-K105 PolarHBondContact O-N 2.64Å; S50-K105 VanDerWaalsContact O-N 3.08Å
51	E	59.2	Low	47.5	Very low	61 Å²	61	57.3 Å²	57.3	29%	0.285	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.9	175.4	-169	168.6	148.1	0	0	108.7	V53 G68 S69 R104	E51-V53 HydrophobicContact CG-CG2 4.49Å; E51-G68 CarbonylContact O-C 3.56Å; E51-G68 VanDerWaalsContact O-CA 3.29Å; E51-G68 WeakPolarHBondContact O-CA 3.33Å; E51-S69 PolarHBondContact N-O 3.43Å; E51-S69 PolarHBondContact O-N 2.7Å; E51-R104 HydrophobicContact CB-CG 4.45Å; E51-R104 IonicContact OE2-CZ 2.63Å; E51-R104 IonicContact OE2-NE 3.56Å; E51-R104 PolarHBondContact OE2-NE 3.06Å; E51-R104 IonicContact OE2-NH2 2.7Å; E51-R104 PolarHBondContact OE2-NH2 2.78Å
52	F	56.8	Low	48.2	Very low	74 Å²	74	64 Å²	64	33%	0.325	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.6	176.5	-61.6	-87.3	0	0	0	107.9	V102	F52-V102 HydrophobicContact CB-CB 4.13Å; F52-V102 HydrophobicContact CB-CG2 4.24Å; F52-V102 WeakPolarHBondContact O-CA 2.98Å; F52-V102 VanDerWaalsContact O-CB 3.22Å; F52-V102 WeakPolarHBondContact O-CB 3.16Å; F52-V102 WeakPolarHBondContact O-CG2 3.4Å; F52-V102 PolarHBondContact O-N 3.13Å
53	V	51	Low	49.1	Very low	16 Å²	16	59.7 Å²	59.7	10%	0.097	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.8	176.3	-179.4	0	0	0	0	107.1	E51 K67 Q99 N100 D101	E51-V53 HydrophobicContact CG-CG2 4.49Å; V53-K67 HydrophobicContact CB-CB 4.28Å; V53-K67 PolarHBondContact N-O 2.86Å; V53-K67 PolarHBondContact O-N 3.15Å; V53-K67 VanDerWaalsContact O-O 3.07Å; V53-Q99 HydrophobicContact CG1-CB 3.72Å; V53-Q99 HydrophobicContact CG1-CG 4.24Å; V53-N100 WeakPolarHBondContact CA-O 3.34Å; V53-D101 WeakPolarHBondContact CG1-OD1 3.44Å; V53-D101 HydrophobicContact CG2-CB 4.43Å; V53-D101 VanDerWaalsContact CG2-OD1 3.25Å; V53-D101 WeakPolarHBondContact CG2-OD1 2.98Å
54	N	53	Low	50	Low	69 Å²	69	63.6 Å²	63.6	37%	0.369	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.4	174.1	64.9	-84	0	0	0	109.7	N100 V102	N54-N100 PolarHBondContact N-O 2.97Å; N54-N100 PolarHBondContact O-N 3.33Å; N54-V102 WeakPolarHBondContact OD1-CG2 3.21Å
55	G	53.2	Low	50.7	Low	9 Å²	9	56.9 Å²	56.9	9%	0.093	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	168.5	-176.8	0	0	0	0	0	113.3	F65 W98	G55-F65 PolarHBondContact N-O 2.79Å; G55-F65 PolarHBondContact O-N 3.33Å; G55-F65 VanDerWaalsContact O-O 3.11Å; G55-W98 CarbonylContact C-O 3.3Å; G55-W98 WeakPolarHBondContact CA-O 3.4Å
56	F	48.9	Very low	51.5	Low	89 Å²	89	59.1 Å²	59.1	39%	0.39	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152	166.3	63.6	-98.9	0	0	0	108.8	T58 I63 W98	F56-T58 HydrophobicContact CD2-CG2 3.51Å; F56-T58 HydrophobicContact CE2-CG2 3.34Å; F56-I63 CarbonylContact C-O 3.56Å; F56-I63 VanDerWaalsContact CA-O 3.24Å; F56-I63 WeakPolarHBondContact CA-O 3.4Å; F56-W98 HydrophobicContact CD1-CD2 4.34Å; F56-W98 AromaticContact CD1-CE3 3.38Å; F56-W98 HydrophobicContact CD1-CE3 3.38Å; F56-W98 AromaticContact CD1-CZ3 3.75Å; F56-W98 HydrophobicContact CD1-CZ3 3.75Å; F56-W98 HydrophobicContact CD2-CB 4.41Å; F56-W98 HydrophobicContact CE1-CB 4.31Å; F56-W98 AromaticContact CE1-CD2 3.69Å; F56-W98 HydrophobicContact CE1-CD2 3.69Å; F56-W98 AromaticContact CE1-CE3 3.02Å; F56-W98 HydrophobicContact CE1-CE3 3.02Å; F56-W98 HydrophobicContact CE1-CG 4.26Å; F56-W98 HydrophobicContact CE1-CH2 4.27Å; F56-W98 AromaticContact CE1-CZ3 3.33Å; F56-W98 HydrophobicContact CE1-CZ3 3.33Å; F56-W98 HydrophobicContact CE2-CB 4Å; F56-W98 HydrophobicContact CG-CE3 4.37Å; F56-W98 HydrophobicContact CZ-CB 3.95Å; F56-W98 AromaticContact CZ-CD2 3.96Å; F56-W98 HydrophobicContact CZ-CD2 3.96Å; F56-W98 AromaticContact CZ-CE3 3.76Å; F56-W98 HydrophobicContact CZ-CE3 3.76Å; F56-W98 HydrophobicContact CZ-CG 4.09Å; F56-W98 HydrophobicContact CZ-CZ3 4.33Å; F56-W98 PolarHBondContact N-O 3.16Å; F56-W98 PolarHBondContact O-N 3.17Å; F56-W98 VanDerWaalsContact O-O 3.12Å
57	A	49.9	Very low	52	Low	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.4	176.1	0	0	0	0	0	108.6	I63 H95 F96 N97	A57-I63 HydrophobicContact CB-CB 3.93Å; A57-I63 PolarHBondContact N-O 3.34Å; A57-I63 PolarHBondContact O-N 2.97Å; A57-I63 VanDerWaalsContact O-N 3.13Å; A57-H95 HydrophobicContact CB-CB 3.39Å; A57-H95 VanDerWaalsContact CB-CD2 3.41Å; A57-H95 WeakPolarHBondContact CB-CD2 3.35Å; A57-H95 VanDerWaalsContact CB-CG 3.43Å; A57-F96 CarbonylContact C-O 3.55Å; A57-F96 WeakPolarHBondContact CA-O 3.41Å; A57-N97 VanDerWaalsContact CB-OD1 3.27Å; A57-N97 WeakPolarHBondContact CB-OD1 3.02Å
58	T	39.1	Very low	52.3	Low	60 Å²	60	59.5 Å²	59.5	37%	0.368	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.9	-179.6	62.8	0	0	0	0	110.9	F56 H95 F96	F56-T58 HydrophobicContact CD2-CG2 3.51Å; F56-T58 HydrophobicContact CE2-CG2 3.34Å; T58-H95 CarbonylContact O-C 3.59Å; T58-H95 WeakPolarHBondContact O-CA 3.15Å; T58-F96 PolarHBondContact N-O 3.13Å; T58-F96 PolarHBondContact O-N 3.22Å
59	G	45.8	Very low	52.6	Low	37 Å²	37	59.5 Å²	59.5	38%	0.381	31%	0.305	S	S	.	.	S	Bend	trans	-172.6	-170.4	-178.3	0	0	0	0	0	107.9	E61	G59-E61 PolarHBondContact O-N 3.44Å
60	S	44.3	Very low	52.9	Low	105 Å²	105	60.1 Å²	60.1	73%	0.734	31%	0.31	S	S	*	.	S	Bend	trans	-56.9	-20.1	174.3	47.5	0	0	0	0	112.7	L93	S60-L93 WeakPolarHBondContact OG-CD1 3.25Å
61	E	47.5	Very low	52.7	Low	70 Å²	70	60.2 Å²	60.2	33%	0.327	31%	0.31	S	S	.	.	S	Bend	trans	-136.5	121.1	176.1	-65.2	-173.4	122	0	0	110	G59 I63 P91 L93	G59-E61 PolarHBondContact O-N 3.44Å; E61-I63 PolarHBondContact O-N 2.88Å; E61-P91 HydrophobicContact CB-CB 3.55Å; E61-P91 HydrophobicContact CB-CG 3.47Å; E61-P91 VanDerWaalsContact CB-CG 3.47Å; E61-P91 VanDerWaalsContact CD-CG 3.46Å; E61-P91 HydrophobicContact CG-CB 3.96Å; E61-P91 HydrophobicContact CG-CG 3.93Å; E61-P91 WeakPolarHBondContact OE2-CB 3.2Å; E61-L93 HydrophobicContact CB-CD1 4.49Å; E61-L93 HydrophobicContact CG-CD1 4.11Å; E61-L93 VanDerWaalsContact OE2-CD1 3.29Å; E61-L93 WeakPolarHBondContact OE2-CD1 3.29Å
62	R	49.9	Very low	52.4	Low	213 Å²	213	60.8 Å²	60.8	80%	0.804	31%	0.314	S	S	*	.			trans	-74.8	116	-173.8	-63.8	177.9	-178.4	178.9	-0.5	110.5
63	I	52.4	Low	52	Low	14 Å²	14	58.1 Å²	58.1	7%	0.072	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	136.5	173.5	-53.5	173.2	0	0	0	108.7	F56 A57 E61 L89 P91 H95	F56-I63 CarbonylContact C-O 3.56Å; F56-I63 VanDerWaalsContact CA-O 3.24Å; F56-I63 WeakPolarHBondContact CA-O 3.4Å; A57-I63 HydrophobicContact CB-CB 3.93Å; A57-I63 PolarHBondContact N-O 3.34Å; A57-I63 PolarHBondContact O-N 2.97Å; A57-I63 VanDerWaalsContact O-N 3.13Å; E61-I63 PolarHBondContact O-N 2.88Å; I63-L89 CarbonylContact C-O 3.57Å; I63-L89 WeakPolarHBondContact CA-O 3.17Å; I63-P91 WeakPolarHBondContact CD1-O 3.06Å; I63-P91 WeakPolarHBondContact CG1-O 3.4Å; I63-H95 HydrophobicContact CD1-CB 4.47Å
64	K	56.9	Low	51.8	Low	144 Å²	144	58.4 Å²	58.4	63%	0.626	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	140.3	168.4	-61.9	-178.4	-178.9	-176.2	0	108.7	L89	K64-L89 HydrophobicContact CB-CB 4.44Å; K64-L89 PolarHBondContact N-O 3.48Å; K64-L89 PolarHBondContact O-N 3.2Å
65	F	55.3	Low	51.5	Low	17 Å²	17	59.7 Å²	59.7	8%	0.075	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.5	173.6	66.5	-92.9	0	0	0	112.7	G55 K67 L87 R88 Q99	G55-F65 PolarHBondContact N-O 2.79Å; G55-F65 PolarHBondContact O-N 3.33Å; G55-F65 VanDerWaalsContact O-O 3.11Å; F65-K67 HydrophobicContact CD2-CD 4.42Å; F65-K67 HydrophobicContact CD2-CG 4.16Å; F65-K67 HydrophobicContact CE2-CD 4.4Å; F65-L87 CarbonylContact C-O 3.52Å; F65-L87 WeakPolarHBondContact CA-O 3.05Å; F65-L87 WeakPolarHBondContact CB-O 3.42Å; F65-R88 HydrophobicContact CB-CG 4.15Å; F65-Q99 HydrophobicContact CZ-CB 4.24Å
66	M	55.4	Low	51	Low	107 Å²	107	66.3 Å²	66.3	53%	0.527	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	121.9	170.8	-179.4	-176.1	-66.5	0	0	107	Q86 L87	M66-Q86 CarbonylContact O-C 3.54Å; M66-Q86 VanDerWaalsContact O-CA 3.3Å; M66-Q86 WeakPolarHBondContact O-CA 2.92Å; M66-L87 HydrophobicContact CB-CB 4.43Å; M66-L87 PolarHBondContact N-O 3.05Å; M66-L87 PolarHBondContact O-N 2.99Å
67	K	58	Low	50.8	Low	74 Å²	74	65.6 Å²	65.6	32%	0.322	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	144.5	171.3	-67.8	176.4	175.6	-175	0	107.7	V53 F65 G85 Q86	V53-K67 HydrophobicContact CB-CB 4.28Å; V53-K67 PolarHBondContact N-O 2.86Å; V53-K67 PolarHBondContact O-N 3.15Å; V53-K67 VanDerWaalsContact O-O 3.07Å; F65-K67 HydrophobicContact CD2-CD 4.42Å; F65-K67 HydrophobicContact CD2-CG 4.16Å; F65-K67 HydrophobicContact CE2-CD 4.4Å; K67-G85 WeakPolarHBondContact CA-O 3.18Å; K67-Q86 VanDerWaalsContact CE-NE2 3.3Å; K67-Q86 HydrophobicContact CG-CB 3.88Å; K67-Q86 HydrophobicContact CG-CG 3.51Å
68	G	55.1	Low	50.5	Low	21 Å²	21	66.5 Å²	66.5	22%	0.216	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	146	173.1	0	0	0	0	0	111.3	E51 T84 G85	E51-G68 CarbonylContact O-C 3.56Å; E51-G68 VanDerWaalsContact O-CA 3.29Å; E51-G68 WeakPolarHBondContact O-CA 3.33Å; G68-T84 WeakPolarHBondContact O-CA 3.48Å; G68-G85 PolarHBondContact N-O 2.93Å; G68-G85 PolarHBondContact O-N 3Å
69	S	58.8	Low	50.8	Low	28 Å²	28	63.7 Å²	63.7	20%	0.196	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.9	159.6	170	0	0	0	0	107.7	S50 E51 N71 D82 L83	S50-S69 WeakPolarHBondContact CA-O 3.31Å; E51-S69 PolarHBondContact N-O 3.43Å; E51-S69 PolarHBondContact O-N 2.7Å; S69-N71 PolarHBondContact OG-ND2 3.17Å; S69-D82 PolarHBondContact OG-OD1 3.43Å; S69-L83 CarbonylContact C-O 3.55Å; S69-L83 WeakPolarHBondContact CA-O 3.07Å
70	L	61.3	Low	51	Low	51 Å²	51	62.8 Å²	62.8	27%	0.267	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	102.9	178.4	173.9	58.6	0	0	0	108.2	S50 I72 L83	S50-L70 WeakPolarHBondContact OG-CD1 3.26Å; L70-I72 HydrophobicContact CD1-CG1 4.03Å; L70-I72 HydrophobicContact CD2-CD1 3.86Å; L70-I72 HydrophobicContact CD2-CG1 4.2Å; L70-I72 HydrophobicContact CG-CD1 3.99Å; L70-I72 HydrophobicContact CG-CG1 3.78Å; L70-L83 HydrophobicContact CB-CB 4.26Å; L70-L83 HydrophobicContact CD2-CD2 4.3Å; L70-L83 PolarHBondContact N-O 3.48Å; L70-L83 PolarHBondContact O-N 2.95Å
71	N	54.7	Low	51.3	Low	5 Å²	5	62.3 Å²	62.3	3%	0.027	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	113.4	171.5	-65.5	-64.3	0	0	0	110	Q46 K49 S69 I80 W81 D82	Q46-N71 WeakPolarHBondContact O-CB 3.5Å; Q46-N71 VanDerWaalsContact O-CG 3.32Å; Q46-N71 PolarHBondContact O-ND2 3.15Å; K49-N71 PolarHBondContact O-ND2 2.63Å; S69-N71 PolarHBondContact OG-ND2 3.17Å; N71-I80 HydrophobicContact CB-CG2 4.42Å; N71-W81 CarbonylContact C-O 3.54Å; N71-W81 WeakPolarHBondContact CA-O 3.18Å; N71-D82 PolarHBondContact OD1-OD1 2.68Å
72	I	54.1	Low	51.5	Low	74 Å²	74	60 Å²	60	38%	0.379	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	103.4	175.3	-53.7	167.8	0	0	0	108.3	L70 S74 W81	L70-I72 HydrophobicContact CD1-CG1 4.03Å; L70-I72 HydrophobicContact CD2-CD1 3.86Å; L70-I72 HydrophobicContact CD2-CG1 4.2Å; L70-I72 HydrophobicContact CG-CD1 3.99Å; L70-I72 HydrophobicContact CG-CG1 3.78Å; I72-S74 PolarHBondContact O-N 3.22Å; I72-W81 HydrophobicContact CB-CB 4.22Å; I72-W81 PolarHBondContact N-O 3.11Å; I72-W81 WeakPolarHBondContact O-CB 3.12Å; I72-W81 PolarHBondContact O-N 2.9Å
73	P	47.3	Very low	51.8	Low	17 Å²	17	53 Å²	53	11%	0.11	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	127.3	172.1	27.8	-29.6	0	0	0	109.6	F48 I80 L108	F48-P73 HydrophobicContact CD1-CG 3.55Å; F48-P73 HydrophobicContact CE1-CB 3.93Å; F48-P73 HydrophobicContact CE1-CG 3.26Å; F48-P73 HydrophobicContact CG-CG 4.37Å; F48-P73 HydrophobicContact CZ-CB 4.07Å; F48-P73 HydrophobicContact CZ-CG 3.89Å; P73-I80 HydrophobicContact CB-CG1 4.4Å; P73-L108 HydrophobicContact CB-CD1 4.48Å; P73-L108 HydrophobicContact CG-CD1 3.03Å; P73-L108 HydrophobicContact CG-CG 4.5Å
74	S	47.5	Very low	52.1	Low	22 Å²	22	54.7 Å²	54.7	15%	0.154	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	83	178	-165.3	0	0	0	0	108.5	I72 R76 H77 N78 A79	I72-S74 PolarHBondContact O-N 3.22Å; S74-R76 PolarHBondContact O-N 3.15Å; S74-R76 VanDerWaalsContact O-N 3.13Å; S74-H77 PolarHBondContact O-N 3.44Å; S74-H77 PolarHBondContact OG-ND1 3.29Å; S74-N78 PolarHBondContact O-N 3.48Å; S74-N78 VanDerWaalsContact O-N 3.16Å; S74-A79 WeakPolarHBondContact CA-O 3.29Å; S74-A79 PolarHBondContact N-O 3.07Å; S74-A79 PolarHBondContact O-N 3.39Å
75	V	46.4	Very low	51.8	Low	97 Å²	97	49.2 Å²	49.2	59%	0.588	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-54.6	-34.2	-178.9	-175.5	0	0	0	0	111.7	Y16 H77	Y16-V75 HydrophobicContact CE2-CG1 4.31Å; V75-H77 VanDerWaalsContact C-N 3.27Å; V75-H77 PolarHBondContact O-N 3.07Å
76	R	42.4	Very low	51.7	Low	148 Å²	148	48.8 Å²	48.8	56%	0.558	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-64	-28.9	178.3	-178.4	176.1	177.9	-179	0.7	113.7	Y11 S74	Y11-R76 VanDerWaalsContact CE1-NH2 3.29Å; S74-R76 PolarHBondContact O-N 3.15Å; S74-R76 VanDerWaalsContact O-N 3.13Å
77	H	44.6	Very low	51.7	Low	73 Å²	73	46.1 Å²	46.1	34%	0.338	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-113.9	9	-173.7	-55.3	98.5	0	0	0	112.5	S74 V75 A79	S74-H77 PolarHBondContact O-N 3.44Å; S74-H77 PolarHBondContact OG-ND1 3.29Å; V75-H77 VanDerWaalsContact C-N 3.27Å; V75-H77 PolarHBondContact O-N 3.07Å; H77-A79 HydrophobicContact CB-CB 4.15Å; H77-A79 PolarHBondContact O-N 3.33Å; H77-A79 VanDerWaalsContact O-N 3.08Å
78	N	44.5	Very low	51.5	Low	20 Å²	20	45.3 Å²	45.3	11%	0.107	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	25.8	-169.2	-63.6	-23.4	0	0	0	113	S74 F175	S74-N78 PolarHBondContact O-N 3.48Å; S74-N78 VanDerWaalsContact O-N 3.16Å; N78-F175 HydrophobicContact CB-CB 4.43Å; N78-F175 HydrophobicContact CB-CD2 3.83Å; N78-F175 WeakPolarHBondContact O-CD2 3.25Å; N78-F175 WeakPolarHBondContact O-CE2 3.24Å
79	A	45	Very low	51.5	Low	1 Å²	1	48 Å²	48	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	151.9	-171.4	0	0	0	0	0	111	S74 H77 P173	S74-A79 WeakPolarHBondContact CA-O 3.29Å; S74-A79 PolarHBondContact N-O 3.07Å; S74-A79 PolarHBondContact O-N 3.39Å; H77-A79 HydrophobicContact CB-CB 4.15Å; H77-A79 PolarHBondContact O-N 3.33Å; H77-A79 VanDerWaalsContact O-N 3.08Å; A79-P173 WeakPolarHBondContact CB-O 3.17Å
80	I	49.1	Very low	51.1	Low	17 Å²	17	47.5 Å²	47.5	9%	0.087	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.5	159.5	-61.3	166	0	0	0	106.3	W22 P45 P47 N71 P73 F124	W22-I80 HydrophobicContact CZ3-CD1 4.25Å; W22-I80 HydrophobicContact CZ3-CG1 4.48Å; P45-I80 HydrophobicContact CB-CD1 3.71Å; P47-I80 HydrophobicContact CB-CD1 3.9Å; N71-I80 HydrophobicContact CB-CG2 4.42Å; P73-I80 HydrophobicContact CB-CG1 4.4Å; I80-F124 HydrophobicContact CD1-CE1 4.04Å; I80-F124 HydrophobicContact CD1-CZ 4.31Å
81	W	50.3	Low	50.5	Low	95 Å²	95	46.5 Å²	46.5	36%	0.36	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	111.1	174.7	-62.4	18.2	0	0	0	106.5	N71 I72 F172	N71-W81 CarbonylContact C-O 3.54Å; N71-W81 WeakPolarHBondContact CA-O 3.18Å; I72-W81 HydrophobicContact CB-CB 4.22Å; I72-W81 PolarHBondContact N-O 3.11Å; I72-W81 WeakPolarHBondContact O-CB 3.12Å; I72-W81 PolarHBondContact O-N 2.9Å; W81-F172 HydrophobicContact CG-CB 4.17Å
82	D	52.3	Low	50.1	Low	21 Å²	21	47.4 Å²	47.4	11%	0.112	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	108.1	171.2	-170.8	-0.6	0	0	0	108	I43 S69 N71 T84 D171	I43-D82 WeakPolarHBondContact CG2-OD2 2.98Å; S69-D82 PolarHBondContact OG-OD1 3.43Å; N71-D82 PolarHBondContact OD1-OD1 2.68Å; D82-T84 WeakPolarHBondContact OD1-CG2 3.4Å; D82-D171 PolarHBondContact N-O 2.99Å; D82-D171 PolarHBondContact O-N 2.76Å; D82-D171 VanDerWaalsContact O-N 3.09Å
83	L	56.7	Low	49.1	Very low	68 Å²	68	47.1 Å²	47.1	36%	0.356	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	107.1	172.8	-178.9	74.8	0	0	0	108	S69 L70 L170	S69-L83 CarbonylContact C-O 3.55Å; S69-L83 WeakPolarHBondContact CA-O 3.07Å; L70-L83 HydrophobicContact CB-CB 4.26Å; L70-L83 HydrophobicContact CD2-CD2 4.3Å; L70-L83 PolarHBondContact N-O 3.48Å; L70-L83 PolarHBondContact O-N 2.95Å; L83-L170 HydrophobicContact CD1-CB 4.43Å; L83-L170 HydrophobicContact CD1-CD1 4.25Å
84	T	57.8	Low	48.6	Very low	49 Å²	49	52.8 Å²	52.8	30%	0.301	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	143.4	170.1	60.4	0	0	0	0	109.9	G68 D82 G168 K169	G68-T84 WeakPolarHBondContact O-CA 3.48Å; D82-T84 WeakPolarHBondContact OD1-CG2 3.4Å; T84-G168 CarbonylContact O-C 3.58Å; T84-G168 WeakPolarHBondContact O-CA 3.22Å; T84-K169 PolarHBondContact N-O 3.27Å; T84-K169 VanDerWaalsContact N-O 3.07Å; T84-K169 PolarHBondContact O-N 2.96Å
85	G	51.6	Low	48.1	Very low	29 Å²	29	55.2 Å²	55.2	30%	0.299	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	160	175.4	0	0	0	0	0	113.7	K67 G68 N167	K67-G85 WeakPolarHBondContact CA-O 3.18Å; G68-G85 PolarHBondContact N-O 2.93Å; G68-G85 PolarHBondContact O-N 3Å; G85-N167 CarbonylContact C-O 3.47Å; G85-N167 WeakPolarHBondContact CA-O 3.02Å
86	Q	52.6	Low	47.6	Very low	8 Å²	8	58.2 Å²	58.2	4%	0.037	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.4	171	-175	175.6	6.4	0	0	110.7	M66 K67 R88 F152 L166 N167	M66-Q86 CarbonylContact O-C 3.54Å; M66-Q86 VanDerWaalsContact O-CA 3.3Å; M66-Q86 WeakPolarHBondContact O-CA 2.92Å; K67-Q86 VanDerWaalsContact CE-NE2 3.3Å; K67-Q86 HydrophobicContact CG-CB 3.88Å; K67-Q86 HydrophobicContact CG-CG 3.51Å; Q86-R88 HydrophobicContact CG-CG 3.91Å; Q86-R88 VanDerWaalsContact OE1-NE 3.12Å; Q86-F152 HydrophobicContact CB-CE2 4.07Å; Q86-F152 HydrophobicContact CG-CE2 4.46Å; Q86-L166 WeakPolarHBondContact O-CA 3.48Å; Q86-N167 WeakPolarHBondContact CB-OD1 3.22Å; Q86-N167 PolarHBondContact N-O 2.85Å; Q86-N167 PolarHBondContact N-OD1 2.86Å; Q86-N167 PolarHBondContact O-N 2.84Å; Q86-N167 VanDerWaalsContact O-N 3.09Å; Q86-N167 PolarHBondContact O-OD1 3.48Å
87	L	54.9	Low	47.6	Very low	50 Å²	50	55.6 Å²	55.6	26%	0.262	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.2	164.8	174	58.4	0	0	0	109.2	F65 M66 L89 F164	F65-L87 CarbonylContact C-O 3.52Å; F65-L87 WeakPolarHBondContact CA-O 3.05Å; F65-L87 WeakPolarHBondContact CB-O 3.42Å; M66-L87 HydrophobicContact CB-CB 4.43Å; M66-L87 PolarHBondContact N-O 3.05Å; M66-L87 PolarHBondContact O-N 2.99Å; L87-L89 HydrophobicContact CD1-CD2 4.31Å; L87-L89 HydrophobicContact CD1-CG 4.46Å; L87-L89 HydrophobicContact CG-CG 4.48Å; L87-F164 HydrophobicContact CD1-CD2 3.48Å; L87-F164 VanDerWaalsContact CD1-CD2 3.48Å; L87-F164 HydrophobicContact CD1-CE1 4.44Å; L87-F164 HydrophobicContact CD1-CE2 3.03Å; L87-F164 HydrophobicContact CD1-CG 4.35Å; L87-F164 HydrophobicContact CD1-CZ 3.58Å; L87-F164 HydrophobicContact CD2-CE2 4.44Å; L87-F164 HydrophobicContact CG-CE2 4.34Å
88	R	55.1	Low	47.4	Very low	58 Å²	58	58.1 Å²	58.1	22%	0.219	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.8	172.1	-59.8	-177.5	-178.5	-178.2	-2.5	110.7	F65 Q86 Y165	F65-R88 HydrophobicContact CB-CG 4.15Å; Q86-R88 HydrophobicContact CG-CG 3.91Å; Q86-R88 VanDerWaalsContact OE1-NE 3.12Å; R88-Y165 HydrophobicContact CB-CD1 4.46Å; R88-Y165 HydrophobicContact CG-CD1 4.33Å; R88-Y165 PolarHBondContact N-O 2.77Å; R88-Y165 PolarHBondContact O-N 3.08Å
89	L	53.7	Low	47.7	Very low	78 Å²	78	61.9 Å²	61.9	41%	0.408	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	115.5	177.6	-62.1	174.8	0	0	0	108.9	I63 K64 L87 F164	I63-L89 CarbonylContact C-O 3.57Å; I63-L89 WeakPolarHBondContact CA-O 3.17Å; K64-L89 HydrophobicContact CB-CB 4.44Å; K64-L89 PolarHBondContact N-O 3.48Å; K64-L89 PolarHBondContact O-N 3.2Å; L87-L89 HydrophobicContact CD1-CD2 4.31Å; L87-L89 HydrophobicContact CD1-CG 4.46Å; L87-L89 HydrophobicContact CG-CG 4.48Å; L89-F164 HydrophobicContact CD2-CB 4.3Å; L89-F164 HydrophobicContact CD2-CD2 3.73Å; L89-F164 HydrophobicContact CD2-CG 4.45Å
90	G	52	Low	47.6	Very low	17 Å²	17	64.8 Å²	64.8	18%	0.175	33%	0.332	C	S	.	.	S	Bend	trans	142.4	-178.7	172.5	0	0	0	0	0	113.6	N163	G90-N163 PolarHBondContact N-O 3.01Å
91	P	48	Very low	47.6	Very low	29 Å²	29	68.7 Å²	68.7	19%	0.188	35%	0.353	C	S	.	.			trans	-82	147.4	-174.7	-20.8	40.1	0	0	0	113.3	E61 I63 L93	E61-P91 HydrophobicContact CB-CB 3.55Å; E61-P91 HydrophobicContact CB-CG 3.47Å; E61-P91 VanDerWaalsContact CB-CG 3.47Å; E61-P91 VanDerWaalsContact CD-CG 3.46Å; E61-P91 HydrophobicContact CG-CB 3.96Å; E61-P91 HydrophobicContact CG-CG 3.93Å; E61-P91 WeakPolarHBondContact OE2-CB 3.2Å; I63-P91 WeakPolarHBondContact CD1-O 3.06Å; I63-P91 WeakPolarHBondContact CG1-O 3.4Å; P91-L93 PolarHBondContact O-N 3.19Å; P91-L93 VanDerWaalsContact O-N 3.12Å
92	S	46.3	Very low	47.7	Very low	25 Å²	25	66.6 Å²	66.6	18%	0.175	35%	0.351	C	S	.	.			trans	-74.3	89.8	177.9	13.1	0	0	0	0	111.9	M156	S92-M156 VanDerWaalsContact CA-CE 3.41Å; S92-M156 VanDerWaalsContact CB-SD 3.5Å; S92-M156 WeakPolarHBondContact OG-CE 3.37Å
93	L	33.1	Very low	47.9	Very low	68 Å²	68	73 Å²	73	36%	0.356	38%	0.384	S	S	.	.	S	Bend	trans	-140.2	162.7	166.3	-70.1	174.6	0	0	0	110.9	S60 E61 P91 H95	S60-L93 WeakPolarHBondContact OG-CD1 3.25Å; E61-L93 HydrophobicContact CB-CD1 4.49Å; E61-L93 HydrophobicContact CG-CD1 4.11Å; E61-L93 VanDerWaalsContact OE2-CD1 3.29Å; E61-L93 WeakPolarHBondContact OE2-CD1 3.29Å; P91-L93 PolarHBondContact O-N 3.19Å; P91-L93 VanDerWaalsContact O-N 3.12Å; L93-H95 PolarHBondContact O-N 3.34Å; L93-H95 PolarHBondContact O-ND1 3.48Å; L93-H95 VanDerWaalsContact O-ND1 3.15Å
94	T	36.1	Very low	48	Very low	136 Å²	136	75.3 Å²	75.3	83%	0.834	39%	0.388	S	S	*	.			trans	-47.5	125.6	173.1	-49.8	0	0	0	0	110
95	H	37.5	Very low	48.1	Very low	73 Å²	73	79.1 Å²	79.1	34%	0.338	40%	0.401	S	S	.	.			trans	-137.8	145.4	-171.3	60.3	-100.8	0	0	0	112.8	A57 T58 I63 L93 N97	A57-H95 HydrophobicContact CB-CB 3.39Å; A57-H95 VanDerWaalsContact CB-CD2 3.41Å; A57-H95 WeakPolarHBondContact CB-CD2 3.35Å; A57-H95 VanDerWaalsContact CB-CG 3.43Å; T58-H95 CarbonylContact O-C 3.59Å; T58-H95 WeakPolarHBondContact O-CA 3.15Å; I63-H95 HydrophobicContact CD1-CB 4.47Å; L93-H95 PolarHBondContact O-N 3.34Å; L93-H95 PolarHBondContact O-ND1 3.48Å; L93-H95 VanDerWaalsContact O-ND1 3.15Å; H95-N97 VanDerWaalsContact CD2-CG 3.43Å; H95-N97 PolarHBondContact CD2-ND2 3.47Å; H95-N97 VanDerWaalsContact CD2-ND2 3.32Å; H95-N97 PolarHBondContact CD2-OD1 2.84Å; H95-N97 PolarHBondContact NE2-ND2 3.38Å; H95-N97 PolarHBondContact NE2-OD1 3.08Å
96	F	36.1	Very low	48.7	Very low	160 Å²	160	79.6 Å²	79.6	70%	0.702	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.6	166.7	-65.1	-88.6	0	0	0	109.1	A57 T58	A57-F96 CarbonylContact C-O 3.55Å; A57-F96 WeakPolarHBondContact CA-O 3.41Å; T58-F96 PolarHBondContact N-O 3.13Å; T58-F96 PolarHBondContact O-N 3.22Å
97	N	43.1	Very low	48.7	Very low	92 Å²	92	82.1 Å²	82.1	49%	0.492	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.3	-178.9	-72.5	-46.8	0	0	0	111.5	A57 H95	A57-N97 VanDerWaalsContact CB-OD1 3.27Å; A57-N97 WeakPolarHBondContact CB-OD1 3.02Å; H95-N97 VanDerWaalsContact CD2-CG 3.43Å; H95-N97 PolarHBondContact CD2-ND2 3.47Å; H95-N97 VanDerWaalsContact CD2-ND2 3.32Å; H95-N97 PolarHBondContact CD2-OD1 2.84Å; H95-N97 PolarHBondContact NE2-ND2 3.38Å; H95-N97 PolarHBondContact NE2-OD1 3.08Å
98	W	40.6	Very low	48.8	Very low	127 Å²	127	83.6 Å²	83.6	48%	0.481	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.8	159.1	-178.7	79.9	0	0	0	108.4	G55 F56 N100	G55-W98 CarbonylContact C-O 3.3Å; G55-W98 WeakPolarHBondContact CA-O 3.4Å; F56-W98 HydrophobicContact CD1-CD2 4.34Å; F56-W98 AromaticContact CD1-CE3 3.38Å; F56-W98 HydrophobicContact CD1-CE3 3.38Å; F56-W98 AromaticContact CD1-CZ3 3.75Å; F56-W98 HydrophobicContact CD1-CZ3 3.75Å; F56-W98 HydrophobicContact CD2-CB 4.41Å; F56-W98 HydrophobicContact CE1-CB 4.31Å; F56-W98 AromaticContact CE1-CD2 3.69Å; F56-W98 HydrophobicContact CE1-CD2 3.69Å; F56-W98 AromaticContact CE1-CE3 3.02Å; F56-W98 HydrophobicContact CE1-CE3 3.02Å; F56-W98 HydrophobicContact CE1-CG 4.26Å; F56-W98 HydrophobicContact CE1-CH2 4.27Å; F56-W98 AromaticContact CE1-CZ3 3.33Å; F56-W98 HydrophobicContact CE1-CZ3 3.33Å; F56-W98 HydrophobicContact CE2-CB 4Å; F56-W98 HydrophobicContact CG-CE3 4.37Å; F56-W98 HydrophobicContact CZ-CB 3.95Å; F56-W98 AromaticContact CZ-CD2 3.96Å; F56-W98 HydrophobicContact CZ-CD2 3.96Å; F56-W98 AromaticContact CZ-CE3 3.76Å; F56-W98 HydrophobicContact CZ-CE3 3.76Å; F56-W98 HydrophobicContact CZ-CG 4.09Å; F56-W98 HydrophobicContact CZ-CZ3 4.33Å; F56-W98 PolarHBondContact N-O 3.16Å; F56-W98 PolarHBondContact O-N 3.17Å; F56-W98 VanDerWaalsContact O-O 3.12Å; W98-N100 WeakPolarHBondContact CH2-ND2 3.42Å; W98-N100 WeakPolarHBondContact CH2-OD1 3.31Å; W98-N100 VanDerWaalsContact CZ2-ND2 3.27Å; W98-N100 WeakPolarHBondContact CZ2-ND2 2.92Å; W98-N100 WeakPolarHBondContact CZ2-OD1 3.49Å; W98-N100 WeakPolarHBondContact CZ3-ND2 3.47Å
99	Q	49.2	Very low	49.2	Very low	99 Å²	99	87.9 Å²	87.9	46%	0.463	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147	179.8	71.7	-175.4	31.4	0	0	109.9	V53 F65	V53-Q99 HydrophobicContact CG1-CB 3.72Å; V53-Q99 HydrophobicContact CG1-CG 4.24Å; F65-Q99 HydrophobicContact CZ-CB 4.24Å
100	N	44	Very low	49.5	Very low	61 Å²	61	86 Å²	86	33%	0.326	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.8	163.5	-50.5	-93.1	0	0	0	107.7	V53 N54 W98	V53-N100 WeakPolarHBondContact CA-O 3.34Å; N54-N100 PolarHBondContact N-O 2.97Å; N54-N100 PolarHBondContact O-N 3.33Å; W98-N100 WeakPolarHBondContact CH2-ND2 3.42Å; W98-N100 WeakPolarHBondContact CH2-OD1 3.31Å; W98-N100 VanDerWaalsContact CZ2-ND2 3.27Å; W98-N100 WeakPolarHBondContact CZ2-ND2 2.92Å; W98-N100 WeakPolarHBondContact CZ2-OD1 3.49Å; W98-N100 WeakPolarHBondContact CZ3-ND2 3.47Å
101	D	49.5	Very low	50.2	Low	99 Å²	99	88.2 Å²	88.2	53%	0.529	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	122.4	172.1	-53.4	-29.5	0	0	0	107.2	V53	V53-D101 WeakPolarHBondContact CG1-OD1 3.44Å; V53-D101 HydrophobicContact CG2-CB 4.43Å; V53-D101 VanDerWaalsContact CG2-OD1 3.25Å; V53-D101 WeakPolarHBondContact CG2-OD1 2.98Å
102	V	51.2	Low	51.1	Low	51 Å²	51	92 Å²	92	31%	0.309	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.4	172.8	-176	0	0	0	0	107	F52 N54 R104	F52-V102 HydrophobicContact CB-CB 4.13Å; F52-V102 HydrophobicContact CB-CG2 4.24Å; F52-V102 WeakPolarHBondContact O-CA 2.98Å; F52-V102 VanDerWaalsContact O-CB 3.22Å; F52-V102 WeakPolarHBondContact O-CB 3.16Å; F52-V102 WeakPolarHBondContact O-CG2 3.4Å; F52-V102 PolarHBondContact O-N 3.13Å; N54-V102 WeakPolarHBondContact OD1-CG2 3.21Å; V102-R104 PolarHBondContact O-N 3.36Å
103	L	56.1	Low	51.6	Low	156 Å²	156	94 Å²	94	82%	0.817	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-41.7	129.9	175.6	-82.6	151.6	0	0	0	111.5	K105	L103-K105 PolarHBondContact O-N 3.25Å
104	R	60.5	Low	52.6	Low	117 Å²	117	92.2 Å²	92.2	44%	0.442	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	128.1	175.5	-68.7	-173.6	-179.6	168.4	1.5	109.8	K49 S50 E51 V102	K49-R104 HydrophobicContact CB-CB 4.42Å; K49-R104 HydrophobicContact CD-CB 4.44Å; S50-R104 WeakPolarHBondContact O-CA 3.25Å; E51-R104 HydrophobicContact CB-CG 4.45Å; E51-R104 IonicContact OE2-CZ 2.63Å; E51-R104 IonicContact OE2-NE 3.56Å; E51-R104 PolarHBondContact OE2-NE 3.06Å; E51-R104 IonicContact OE2-NH2 2.7Å; E51-R104 PolarHBondContact OE2-NH2 2.78Å; V102-R104 PolarHBondContact O-N 3.36Å
105	K	60.2	Low	53.5	Low	129 Å²	129	88.4 Å²	88.4	56%	0.561	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.4	179.2	-67.7	-172	178.9	-179.6	0	110.5	S50 L103 S107	S50-K105 PolarHBondContact N-O 2.86Å; S50-K105 VanDerWaalsContact N-O 3.16Å; S50-K105 PolarHBondContact O-N 2.64Å; S50-K105 VanDerWaalsContact O-N 3.08Å; L103-K105 PolarHBondContact O-N 3.25Å; K105-S107 VanDerWaalsContact C-N 3.33Å; K105-S107 PolarHBondContact O-N 3.03Å; K105-S107 VanDerWaalsContact O-N 3.13Å
106	N	62.9	Low	54.3	Low	38 Å²	38	89.4 Å²	89.4	20%	0.203	47%	0.471	C	S	.	.			trans	-79	83.2	165.9	172.4	17.4	0	0	0	109.1	L108 N109 L110 Q115	N106-L108 PolarHBondContact O-N 2.7Å; N106-L108 VanDerWaalsContact O-N 3.11Å; N106-L108 PolarHBondContact OD1-N 3.39Å; N106-N109 PolarHBondContact O-N 2.79Å; N106-N109 PolarHBondContact OD1-N 3.3Å; N106-L110 PolarHBondContact ND2-N 2.95Å; N106-L110 PolarHBondContact ND2-O 3.28Å; N106-L110 PolarHBondContact OD1-N 2.77Å; N106-L110 VanDerWaalsContact OD1-N 3.09Å; N106-Q115 PolarHBondContact ND2-NE2 3.28Å
107	S	53.9	Low	55.1	Low	62 Å²	62	86.2 Å²	86.2	43%	0.434	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.1	-176.6	50.9	0	0	0	0	113.7	K105	K105-S107 VanDerWaalsContact C-N 3.33Å; K105-S107 PolarHBondContact O-N 3.03Å; K105-S107 VanDerWaalsContact O-N 3.13Å
108	L	55.7	Low	55.4	Low	81 Å²	81	83.1 Å²	83.1	42%	0.424	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	10.5	-176.9	-68.3	174.8	0	0	0	114	F48 P73 N106 L110	F48-L108 HydrophobicContact CD1-CB 4.03Å; F48-L108 HydrophobicContact CD1-CD1 3.25Å; F48-L108 HydrophobicContact CD1-CG 4.21Å; F48-L108 HydrophobicContact CE1-CD1 3.62Å; F48-L108 HydrophobicContact CG-CD1 4.39Å; P73-L108 HydrophobicContact CB-CD1 4.48Å; P73-L108 HydrophobicContact CG-CD1 3.03Å; P73-L108 HydrophobicContact CG-CG 4.5Å; N106-L108 PolarHBondContact O-N 2.7Å; N106-L108 VanDerWaalsContact O-N 3.11Å; N106-L108 PolarHBondContact OD1-N 3.39Å; L108-L110 HydrophobicContact CB-CD2 4.48Å; L108-L110 HydrophobicContact CB-CG 4.33Å; L108-L110 PolarHBondContact O-N 3.31Å
109	N	63.9	Low	55.8	Low	148 Å²	148	80.8 Å²	80.8	79%	0.791	44%	0.442	S	S	*	.			trans	49.4	33.1	178.3	-70	-22.5	0	0	0	113.3	N106	N106-N109 PolarHBondContact O-N 2.79Å; N106-N109 PolarHBondContact OD1-N 3.3Å
110	L	59.8	Low	55.8	Low	37 Å²	37	82.3 Å²	82.3	19%	0.194	45%	0.445	C	S	.	.			trans	-56.3	139	171.8	-64.9	-170	0	0	0	111.4	F48 N106 L108 A114 Q115 L118	F48-L110 HydrophobicContact CB-CD1 3.54Å; F48-L110 HydrophobicContact CB-CG 4.32Å; F48-L110 HydrophobicContact CD1-CD1 3.33Å; F48-L110 HydrophobicContact CD1-CD2 4.15Å; F48-L110 HydrophobicContact CD1-CG 3.85Å; F48-L110 HydrophobicContact CD2-CD1 3.52Å; F48-L110 HydrophobicContact CE1-CD1 3.91Å; F48-L110 HydrophobicContact CE1-CD2 4.25Å; F48-L110 HydrophobicContact CE1-CG 4.41Å; F48-L110 HydrophobicContact CE2-CD1 4.08Å; F48-L110 HydrophobicContact CG-CD1 3.18Å; F48-L110 HydrophobicContact CG-CG 4.11Å; F48-L110 HydrophobicContact CZ-CD1 4.28Å; N106-L110 PolarHBondContact ND2-N 2.95Å; N106-L110 PolarHBondContact ND2-O 3.28Å; N106-L110 PolarHBondContact OD1-N 2.77Å; N106-L110 VanDerWaalsContact OD1-N 3.09Å; L108-L110 HydrophobicContact CB-CD2 4.48Å; L108-L110 HydrophobicContact CB-CG 4.33Å; L108-L110 PolarHBondContact O-N 3.31Å; L110-A114 HydrophobicContact CB-CB 4.22Å; L110-Q115 HydrophobicContact CB-CG 3.67Å; L110-Q115 HydrophobicContact CD1-CG 4.28Å; L110-Q115 PolarHBondContact O-NE2 3.41Å; L110-L118 HydrophobicContact CD1-CD1 3.47Å; L110-L118 VanDerWaalsContact CD1-CD1 3.47Å
111	S	67.2	Low	55.8	Low	65 Å²	65	80.4 Å²	80.4	46%	0.455	44%	0.435	S	S	.	.			trans	-59.6	152.2	170.5	69.3	0	0	0	0	110.2	A113 A114 Q115	S111-A113 PolarHBondContact O-N 3.03Å; S111-A114 PolarHBondContact O-N 3.08Å; S111-A114 WeakPolarHBondContact OG-CB 3.25Å; S111-A114 PolarHBondContact OG-N 3.16Å; S111-A114 VanDerWaalsContact OG-N 3.08Å; S111-Q115 WeakPolarHBondContact O-CG 3.38Å; S111-Q115 PolarHBondContact O-N 3.13Å
112	P	65.9	Low	55.3	Low	109 Å²	109	79.2 Å²	79.2	71%	0.708	43%	0.432	S	S	*	.	H	α-helix	trans	-53.6	-35.8	174.7	-27.5	35.3	0	0	0	112.7	Q115 N116	P112-Q115 PolarHBondContact O-N 3.09Å; P112-N116 VanDerWaalsContact O-CB 3.31Å; P112-N116 WeakPolarHBondContact O-CB 3.36Å; P112-N116 PolarHBondContact O-N 2.9Å
113	A	57.8	Low	54.8	Low	67 Å²	67	77.3 Å²	77.3	55%	0.554	42%	0.422	S	S	*	.	H	α-helix	trans	-64.7	-43.6	174.4	0	0	0	0	0	112.4	S111 N116 V117	S111-A113 PolarHBondContact O-N 3.03Å; A113-N116 PolarHBondContact O-N 3.11Å; A113-V117 WeakPolarHBondContact O-CB 3.46Å; A113-V117 VanDerWaalsContact O-CG2 3.26Å; A113-V117 WeakPolarHBondContact O-CG2 2.98Å; A113-V117 PolarHBondContact O-N 3.5Å
114	A	54	Low	53.9	Low	30 Å²	30	72.2 Å²	72.2	25%	0.248	39%	0.393	C	S	.	.	H	α-helix	trans	-67.4	-39.4	176.1	0	0	0	0	0	111.9	L110 S111 N116 V117 L118	L110-A114 HydrophobicContact CB-CB 4.22Å; S111-A114 PolarHBondContact O-N 3.08Å; S111-A114 WeakPolarHBondContact OG-CB 3.25Å; S111-A114 PolarHBondContact OG-N 3.16Å; S111-A114 VanDerWaalsContact OG-N 3.08Å; A114-N116 VanDerWaalsContact C-N 3.32Å; A114-N116 PolarHBondContact O-N 3Å; A114-V117 PolarHBondContact O-N 2.79Å; A114-L118 VanDerWaalsContact O-CB 3.29Å; A114-L118 WeakPolarHBondContact O-CB 3.33Å; A114-L118 VanDerWaalsContact O-CD1 3.25Å; A114-L118 WeakPolarHBondContact O-CD1 3.22Å; A114-L118 WeakPolarHBondContact O-CG 3.36Å; A114-L118 PolarHBondContact O-N 2.82Å
115	Q	55.6	Low	52.8	Low	55 Å²	55	71 Å²	71	26%	0.257	39%	0.393	S	S	.	.	H	α-helix	trans	-59.8	-44.4	172.6	-68.6	175.5	50.2	0	0	111	N106 L110 S111 P112 L118 E119	N106-Q115 PolarHBondContact ND2-NE2 3.28Å; L110-Q115 HydrophobicContact CB-CG 3.67Å; L110-Q115 HydrophobicContact CD1-CG 4.28Å; L110-Q115 PolarHBondContact O-NE2 3.41Å; S111-Q115 WeakPolarHBondContact O-CG 3.38Å; S111-Q115 PolarHBondContact O-N 3.13Å; P112-Q115 PolarHBondContact O-N 3.09Å; Q115-L118 PolarHBondContact O-N 3.18Å; Q115-E119 WeakPolarHBondContact O-CB 2.78Å; Q115-E119 PolarHBondContact O-N 2.97Å
116	N	54	Low	51.7	Low	94 Å²	94	70.3 Å²	70.3	50%	0.503	39%	0.392	S	S	.	.	H	α-helix	trans	-64.8	-47.2	178.8	-155.4	40	0	0	0	111.3	P112 A113 A114 L118 E119 Y120	P112-N116 VanDerWaalsContact O-CB 3.31Å; P112-N116 WeakPolarHBondContact O-CB 3.36Å; P112-N116 PolarHBondContact O-N 2.9Å; A113-N116 PolarHBondContact O-N 3.11Å; A114-N116 VanDerWaalsContact C-N 3.32Å; A114-N116 PolarHBondContact O-N 3Å; N116-L118 PolarHBondContact O-N 2.9Å; N116-E119 PolarHBondContact O-N 3.2Å; N116-Y120 WeakPolarHBondContact O-CB 3.46Å; N116-Y120 VanDerWaalsContact O-CD2 3.23Å; N116-Y120 WeakPolarHBondContact O-CD2 3.38Å; N116-Y120 PolarHBondContact O-N 2.83Å; N116-Y120 WeakPolarHBondContact OD1-CD2 3.39Å; N116-Y120 WeakPolarHBondContact OD1-CE2 3.4Å
117	V	51.6	Low	50.5	Low	94 Å²	94	72.3 Å²	72.3	57%	0.57	40%	0.402	S	S	*	.	H	α-helix	trans	-59.1	-37.4	176.8	169.2	0	0	0	0	111.6	A113 A114 D121	A113-V117 WeakPolarHBondContact O-CB 3.46Å; A113-V117 VanDerWaalsContact O-CG2 3.26Å; A113-V117 WeakPolarHBondContact O-CG2 2.98Å; A113-V117 PolarHBondContact O-N 3.5Å; A114-V117 PolarHBondContact O-N 2.79Å; V117-D121 WeakPolarHBondContact O-CA 3.3Å; V117-D121 WeakPolarHBondContact O-CB 3.45Å; V117-D121 PolarHBondContact O-N 3.07Å
118	L	50.4	Low	49.5	Very low	27 Å²	27	74.5 Å²	74.5	14%	0.141	42%	0.417	C	S	.	.	H	α-helix	trans	-86	-26.6	-177.5	-67.9	162.8	0	0	0	113.5	P47 F48 L110 A114 Q115 N116 F124	P47-L118 HydrophobicContact CG-CB 4.4Å; F48-L118 HydrophobicContact CD2-CB 4.18Å; F48-L118 HydrophobicContact CD2-CD1 3.62Å; F48-L118 HydrophobicContact CD2-CG 4.39Å; F48-L118 HydrophobicContact CE1-CD1 4.48Å; F48-L118 HydrophobicContact CE2-CB 4.08Å; F48-L118 HydrophobicContact CE2-CD1 3.18Å; F48-L118 HydrophobicContact CE2-CD2 3.93Å; F48-L118 HydrophobicContact CE2-CG 3.9Å; F48-L118 HydrophobicContact CG-CD1 4.48Å; F48-L118 HydrophobicContact CZ-CD1 3.72Å; L110-L118 HydrophobicContact CD1-CD1 3.47Å; L110-L118 VanDerWaalsContact CD1-CD1 3.47Å; A114-L118 VanDerWaalsContact O-CB 3.29Å; A114-L118 WeakPolarHBondContact O-CB 3.33Å; A114-L118 VanDerWaalsContact O-CD1 3.25Å; A114-L118 WeakPolarHBondContact O-CD1 3.22Å; A114-L118 WeakPolarHBondContact O-CG 3.36Å; A114-L118 PolarHBondContact O-N 2.82Å; Q115-L118 PolarHBondContact O-N 3.18Å; N116-L118 PolarHBondContact O-N 2.9Å; L118-F124 HydrophobicContact CD2-CE2 4.29Å; L118-F124 WeakPolarHBondContact O-CD2 3.11Å
119	E	49.5	Very low	48.3	Very low	78 Å²	78	74 Å²	74	36%	0.364	43%	0.431	S	S	.	.	H	α-helix	trans	-76.8	-32.6	175.1	-179.4	160.9	-148.3	0	0	111.7	K49 Q115 N116	K49-E119 IonicContact NZ-OE1 3.77Å; K49-E119 PolarHBondContact NZ-OE1 3.36Å; K49-E119 IonicContact NZ-OE2 3.25Å; K49-E119 PolarHBondContact NZ-OE2 2.73Å; Q115-E119 WeakPolarHBondContact O-CB 2.78Å; Q115-E119 PolarHBondContact O-N 2.97Å; N116-E119 PolarHBondContact O-N 3.2Å
120	Y	48.8	Very low	46.6	Very low	130 Å²	130	74.3 Å²	74.3	51%	0.51	43%	0.433	S	S	.	.	S	Bend	trans	-114.2	20.1	179.3	-56.9	-80.3	0	0	0	112.2	N116 P122 E125	N116-Y120 WeakPolarHBondContact O-CB 3.46Å; N116-Y120 VanDerWaalsContact O-CD2 3.23Å; N116-Y120 WeakPolarHBondContact O-CD2 3.38Å; N116-Y120 PolarHBondContact O-N 2.83Å; N116-Y120 WeakPolarHBondContact OD1-CD2 3.39Å; N116-Y120 WeakPolarHBondContact OD1-CE2 3.4Å; Y120-P122 WeakPolarHBondContact O-CD 3.38Å; Y120-E125 WeakPolarHBondContact CD1-OE1 3.38Å
121	D	43.9	Very low	45.1	Very low	22 Å²	22	78.7 Å²	78.7	12%	0.118	46%	0.455	C	S	.	.			trans	-62.2	126.8	174.8	-159.5	-47.4	0	0	0	106.5	V117 A123 F124 E125	V117-D121 WeakPolarHBondContact O-CA 3.3Å; V117-D121 WeakPolarHBondContact O-CB 3.45Å; V117-D121 PolarHBondContact O-N 3.07Å; D121-A123 HydrophobicContact CB-CB 4.48Å; D121-A123 PolarHBondContact O-N 3.09Å; D121-A123 VanDerWaalsContact OD1-CB 3.25Å; D121-A123 WeakPolarHBondContact OD1-CB 3.27Å; D121-A123 PolarHBondContact OD1-N 2.86Å; D121-F124 HydrophobicContact CB-CB 4.5Å; D121-F124 HydrophobicContact CB-CD2 3.5Å; D121-F124 VanDerWaalsContact CB-CD2 3.5Å; D121-F124 HydrophobicContact CB-CE2 4.15Å; D121-F124 HydrophobicContact CB-CG 4.4Å; D121-F124 CarbonylContact O-C 3.46Å; D121-F124 WeakPolarHBondContact O-CA 3.05Å; D121-F124 PolarHBondContact O-N 2.95Å; D121-E125 PolarHBondContact O-N 2.92Å
122	P	38.8	Very low	43.1	Very low	74 Å²	74	84.6 Å²	84.6	48%	0.481	48%	0.476	S	S	.	.	H	α-helix	trans	-56.5	-23.1	172.9	20.2	-30.5	0	0	0	112.3	Y120 F124 E125 Q126	Y120-P122 WeakPolarHBondContact O-CD 3.38Å; P122-F124 PolarHBondContact O-N 3.16Å; P122-E125 PolarHBondContact O-N 3.17Å; P122-Q126 VanDerWaalsContact O-CB 3.27Å; P122-Q126 WeakPolarHBondContact O-CB 2.83Å; P122-Q126 WeakPolarHBondContact O-CG 2.82Å; P122-Q126 PolarHBondContact O-N 2.89Å
123	A	39.5	Very low	41.1	Very low	11 Å²	11	90.9 Å²	90.9	9%	0.091	49%	0.486	C	S	.	.	H	α-helix	trans	-64.1	-21.4	169.6	0	0	0	0	0	113.9	T24 D121	T24-A123 HydrophobicContact CG2-CB 4.41Å; D121-A123 HydrophobicContact CB-CB 4.48Å; D121-A123 PolarHBondContact O-N 3.09Å; D121-A123 VanDerWaalsContact OD1-CB 3.25Å; D121-A123 WeakPolarHBondContact OD1-CB 3.27Å; D121-A123 PolarHBondContact OD1-N 2.86Å
124	F	38.3	Very low	39.5	Very low	49 Å²	49	93.1 Å²	93.1	22%	0.215	50%	0.497	C	S	.	.	H	α-helix	trans	-107.2	-12.6	173.4	-61.6	-65.1	0	0	0	113.4	W22 P45 P47 I80 L118 D121 P122	W22-F124 HydrophobicContact CE3-CE1 4.34Å; W22-F124 AromaticContact CE3-CZ 3.88Å; W22-F124 HydrophobicContact CE3-CZ 3.88Å; W22-F124 HydrophobicContact CZ3-CE1 4.44Å; W22-F124 AromaticContact CZ3-CZ 3.83Å; W22-F124 HydrophobicContact CZ3-CZ 3.83Å; P45-F124 HydrophobicContact CB-CD1 4.17Å; P45-F124 HydrophobicContact CB-CE1 4.11Å; P45-F124 HydrophobicContact CG-CD1 4.18Å; P45-F124 HydrophobicContact CG-CE1 4.32Å; P47-F124 HydrophobicContact CB-CZ 4.44Å; P47-F124 HydrophobicContact CG-CD2 4.28Å; P47-F124 HydrophobicContact CG-CE1 4.44Å; P47-F124 HydrophobicContact CG-CE2 4.08Å; P47-F124 HydrophobicContact CG-CZ 4.16Å; I80-F124 HydrophobicContact CD1-CE1 4.04Å; I80-F124 HydrophobicContact CD1-CZ 4.31Å; L118-F124 HydrophobicContact CD2-CE2 4.29Å; L118-F124 WeakPolarHBondContact O-CD2 3.11Å; D121-F124 HydrophobicContact CB-CB 4.5Å; D121-F124 HydrophobicContact CB-CD2 3.5Å; D121-F124 VanDerWaalsContact CB-CD2 3.5Å; D121-F124 HydrophobicContact CB-CE2 4.15Å; D121-F124 HydrophobicContact CB-CG 4.4Å; D121-F124 CarbonylContact O-C 3.46Å; D121-F124 WeakPolarHBondContact O-CA 3.05Å; D121-F124 PolarHBondContact O-N 2.95Å; P122-F124 PolarHBondContact O-N 3.16Å
125	E	37.9	Very low	38.1	Very low	92 Å²	92	95.9 Å²	95.9	43%	0.43	52%	0.52	S	S	.	.	H	α-helix	trans	-103.2	-14.6	179.6	-71.4	-143.2	150.3	0	0	115.8	Y120 D121 P122 D127 S128	Y120-E125 WeakPolarHBondContact CD1-OE1 3.38Å; D121-E125 PolarHBondContact O-N 2.92Å; P122-E125 PolarHBondContact O-N 3.17Å; E125-D127 PolarHBondContact O-N 3.04Å; E125-S128 PolarHBondContact O-N 3.25Å; E125-S128 PolarHBondContact O-OG 3.48Å
126	Q	37.1	Very low	36.8	Very low	114 Å²	114	100.7 Å²	100.7	53%	0.533	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	66.2	178.2	-80.2	178.2	19.9	0	0	112.1	T24 P122	T24-Q126 HydrophobicContact CG2-CB 4.18Å; T24-Q126 VanDerWaalsContact CG2-OE1 3.29Å; P122-Q126 VanDerWaalsContact O-CB 3.27Å; P122-Q126 WeakPolarHBondContact O-CB 2.83Å; P122-Q126 WeakPolarHBondContact O-CG 2.82Å; P122-Q126 PolarHBondContact O-N 2.89Å
127	D	37	Very low	35.5	Very low	79 Å²	79	103.9 Å²	103.9	42%	0.422	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-166.7	28.2	138.1	-137.3	7.1	0	0	0	114.2	E125 G129	E125-D127 PolarHBondContact O-N 3.04Å; D127-G129 PolarHBondContact O-N 3.38Å; D127-G129 VanDerWaalsContact O-N 3.15Å
128	S	33.8	Very low	34.5	Very low	108 Å²	108	104.5 Å²	104.5	76%	0.755	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	4.9	-179	52.5	0	0	0	0	114.9	E125	E125-S128 PolarHBondContact O-N 3.25Å; E125-S128 PolarHBondContact O-OG 3.48Å
129	G	29.3	Very low	33.7	Very low	70 Å²	70	106.8 Å²	106.8	72%	0.722	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.8	-10.5	-166.2	0	0	0	0	0	118.1	D127	D127-G129 PolarHBondContact O-N 3.38Å; D127-G129 VanDerWaalsContact O-N 3.15Å
130	L	29.6	Very low	32.8	Very low	156 Å²	156	106.3 Å²	106.3	82%	0.817	60%	0.597	S	S	*	*	S	Bend	trans	-137.7	3.1	-171.9	-92.9	157.8	0	0	0	116.4
131	L	28	Very low	32	Very low	128 Å²	128	107.3 Å²	107.3	67%	0.67	62%	0.617	S	S	*	*			trans	-107.9	18.5	-176.2	-75.6	163.8	0	0	0	115.4
132	E	24.5	Very low	31.2	Very low	189 Å²	189	108.5 Å²	108.5	88%	0.883	63%	0.627	S	S	*	*			trans	-99.1	72.8	164.7	-72.9	-166	163.8	0	0	110.9
133	R	23.6	Very low	30.8	Very low	242 Å²	242	111.3 Å²	111.3	91%	0.913	64%	0.642	S	S	*	*	S	Bend	trans	-179.6	131.6	153.5	-107.3	159.3	175.2	-146.6	-3	112.9
134	S	24	Very low	30.2	Very low	114 Å²	114	120.8 Å²	120.8	80%	0.797	68%	0.677	S	S	*	*			trans	85.8	82.4	161	81.2	0	0	0	0	118.9
135	A	25.1	Very low	29.7	Very low	87 Å²	87	120.9 Å²	120.9	72%	0.719	68%	0.683	S	S	*	*	S	Bend	trans	-141.1	3.6	140.5	0	0	0	0	0	113.6
136	Y	27.4	Very low	29.2	Very low	156 Å²	156	125.3 Å²	125.3	61%	0.612	70%	0.701	S	S	*	*	S	Bend	trans	-108.2	11.7	-176	-88.2	-74.5	0	0	0	115.7	S147	Y136-S147 VanDerWaalsContact OH-CA 3.22Å; Y136-S147 WeakPolarHBondContact OH-CA 3.27Å; Y136-S147 WeakPolarHBondContact OH-CB 3.18Å; Y136-S147 PolarHBondContact OH-OG 3.24Å
137	D	28.2	Very low	28.8	Very low	162 Å²	162	123.1 Å²	123.1	87%	0.866	70%	0.698	S	S	*	*			trans	-97.1	13.1	-174.5	-114.9	-9.2	0	0	0	115.3	G139	D137-G139 VanDerWaalsContact C-N 3.34Å; D137-G139 PolarHBondContact O-N 3.23Å
138	S	30.6	Very low	28.3	Very low	107 Å²	107	124.9 Å²	124.9	75%	0.748	71%	0.714	S	S	*	*	S	Bend	trans	-89.6	65.5	172	57.9	0	0	0	0	112.1	C140	S138-C140 PolarHBondContact O-N 3.34Å
139	G	33	Very low	28	Very low	74 Å²	74	122.8 Å²	122.8	76%	0.763	71%	0.709	S	S	*	*			trans	60.1	8.6	148.8	0	0	0	0	0	119.8	D137 T141	D137-G139 VanDerWaalsContact C-N 3.34Å; D137-G139 PolarHBondContact O-N 3.23Å; G139-T141 PolarHBondContact O-N 2.96Å
140	C	29.7	Very low	27.8	Very low	69 Å²	69	124.6 Å²	124.6	47%	0.466	71%	0.711	S	S	.	*			trans	-89.4	96.8	-179.9	-168.6	0	0	0	0	112	S138 S142 C145	S138-C140 PolarHBondContact O-N 3.34Å; C140-S142 PolarHBondContact O-N 3.18Å; C140-S142 VanDerWaalsContact O-N 3.16Å; C140-C145 HydrophobicContact CB-CB 3.57Å; C140-C145 WeakPolarHBondContact CB-SG 2.97Å; C140-C145 WeakPolarHBondContact SG-CB 3.47Å; C140-C145 CovalentContact SG-SG 2.02Å; C140-C145 PolarHBondContact SG-SG 2.85Å
141	T	33.3	Very low	27.7	Very low	151 Å²	151	120.4 Å²	120.4	93%	0.926	71%	0.705	S	S	*	*			trans	-81.1	21.3	177.6	55.3	0	0	0	0	113.8	G139	G139-T141 PolarHBondContact O-N 2.96Å
142	S	26.7	Very low	27.6	Very low	47 Å²	47	117.4 Å²	117.4	33%	0.329	69%	0.687	S	S	.	*	S	Bend	trans	-94.3	139.6	-174.8	-178.2	0	0	0	0	111.7	C140 Y144 C145	C140-S142 PolarHBondContact O-N 3.18Å; C140-S142 VanDerWaalsContact O-N 3.16Å; S142-Y144 PolarHBondContact O-N 2.8Å; S142-Y144 WeakPolarHBondContact OG-CB 3.46Å; S142-Y144 WeakPolarHBondContact OG-CD2 3.22Å; S142-Y144 PolarHBondContact OG-N 2.84Å; S142-Y144 VanDerWaalsContact OG-N 3.15Å; S142-C145 WeakPolarHBondContact O-CB 3.4Å; S142-C145 PolarHBondContact O-N 2.91Å
143	V	30.4	Very low	27.7	Very low	132 Å²	132	113.5 Å²	113.5	80%	0.8	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-59.4	-13.9	167.8	-73.9	0	0	0	0	113.1
144	Y	26.4	Very low	27.8	Very low	210 Å²	210	103.7 Å²	103.7	82%	0.824	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-84.1	-7.2	172	-56.4	-68.4	0	0	0	113.9	S142	S142-Y144 PolarHBondContact O-N 2.8Å; S142-Y144 WeakPolarHBondContact OG-CB 3.46Å; S142-Y144 WeakPolarHBondContact OG-CD2 3.22Å; S142-Y144 PolarHBondContact OG-N 2.84Å; S142-Y144 VanDerWaalsContact OG-N 3.15Å
145	C	28.1	Very low	27.8	Very low	52 Å²	52	102.5 Å²	102.5	35%	0.351	64%	0.643	S	S	.	*	G	3₁₀ helix	trans	-101	17.2	-178.8	-75.5	0	0	0	0	113.6	C140 S142 S147	C140-C145 HydrophobicContact CB-CB 3.57Å; C140-C145 WeakPolarHBondContact CB-SG 2.97Å; C140-C145 WeakPolarHBondContact SG-CB 3.47Å; C140-C145 CovalentContact SG-SG 2.02Å; C140-C145 PolarHBondContact SG-SG 2.85Å; S142-C145 WeakPolarHBondContact O-CB 3.4Å; S142-C145 PolarHBondContact O-N 2.91Å; C145-S147 PolarHBondContact O-N 3.37Å
146	K	28.2	Very low	27.8	Very low	185 Å²	185	102.8 Å²	102.8	80%	0.804	63%	0.631	S	S	*	*	S	Bend	trans	-76.6	120	168.3	-110.1	-177.5	175.7	-178.3	0	109.8	P148	K146-P148 WeakPolarHBondContact O-CD 3.48Å
147	S	28	Very low	27.7	Very low	67 Å²	67	101.8 Å²	101.8	47%	0.469	64%	0.641	S	S	.	*			trans	-45	117.6	172.5	-158.1	0	0	0	0	111.4	Y136 C145 G149	Y136-S147 VanDerWaalsContact OH-CA 3.22Å; Y136-S147 WeakPolarHBondContact OH-CA 3.27Å; Y136-S147 WeakPolarHBondContact OH-CB 3.18Å; Y136-S147 PolarHBondContact OH-OG 3.24Å; C145-S147 PolarHBondContact O-N 3.37Å; S147-G149 PolarHBondContact O-N 3.01Å
148	P	27.2	Very low	27.6	Very low	117 Å²	117	100.5 Å²	100.5	76%	0.76	63%	0.631	S	S	*	*			trans	-68.8	125.2	156.2	24.7	-19.8	0	0	0	106.9	K146	K146-P148 WeakPolarHBondContact O-CD 3.48Å
149	G	26.9	Very low	27.4	Very low	63 Å²	63	100 Å²	100	65%	0.649	62%	0.617	S	S	*	*			trans	-59.6	153.5	173.1	0	0	0	0	0	111.1	S147 G151	S147-G149 PolarHBondContact O-N 3.01Å; G149-G151 PolarHBondContact O-N 3.23Å; G149-G151 VanDerWaalsContact O-N 3.13Å
150	S	24.4	Very low	27.6	Very low	109 Å²	109	100.9 Å²	100.9	76%	0.762	61%	0.609	S	S	*	*	S	Bend	trans	-32.8	110.6	-179.5	54.7	0	0	0	0	113.4
151	G	27.1	Very low	28.3	Very low	68 Å²	68	100.9 Å²	100.9	70%	0.701	61%	0.608	S	S	*	*			trans	144	110.1	170.7	0	0	0	0	0	115.2	G149	G149-G151 PolarHBondContact O-N 3.23Å; G149-G151 VanDerWaalsContact O-N 3.13Å
152	F	27	Very low	28.8	Very low	65 Å²	65	102.1 Å²	102.1	29%	0.285	60%	0.601	S	S	.	*			trans	95.1	97.8	150.7	-154.6	-75.1	0	0	0	117.5	Q86 Y165 N167	Q86-F152 HydrophobicContact CB-CE2 4.07Å; Q86-F152 HydrophobicContact CG-CE2 4.46Å; F152-Y165 HydrophobicContact CE1-CE1 4.37Å; F152-Y165 AromaticContact CE2-CE1 3.89Å; F152-Y165 HydrophobicContact CE2-CE1 3.89Å; F152-Y165 HydrophobicContact CZ-CD1 4.2Å; F152-Y165 AromaticContact CZ-CE1 3.33Å; F152-Y165 HydrophobicContact CZ-CE1 3.33Å; F152-Y165 AromaticContact CZ-CZ 3.99Å; F152-N167 WeakPolarHBondContact CD2-ND2 3.21Å; F152-N167 VanDerWaalsContact CE2-CG 3.43Å; F152-N167 WeakPolarHBondContact CE2-ND2 3.02Å; F152-N167 WeakPolarHBondContact CE2-OD1 3.12Å; F152-N167 WeakPolarHBondContact CZ-ND2 3.29Å
153	D	25.6	Very low	29.6	Very low	107 Å²	107	101.7 Å²	101.7	57%	0.572	60%	0.595	S	S	*	*			trans	-101.6	123.7	152.3	-84.5	-38.3	0	0	0	109.7	M35	M35-D153 HydrophobicContact CE-CB 4.14Å; M35-D153 WeakPolarHBondContact CE-OD1 2.96Å; M35-D153 WeakPolarHBondContact CE-OD2 3.06Å
154	G	25.7	Very low	30.1	Very low	35 Å²	35	98.7 Å²	98.7	36%	0.361	57%	0.571	S	S	.	*			trans	-161.7	109.5	174.9	0	0	0	0	0	109.5
155	A	25	Very low	31	Very low	90 Å²	90	89.6 Å²	89.6	74%	0.744	54%	0.536	S	S	*	.			trans	-74.6	142.4	177.6	0	0	0	0	0	110.9
156	M	25.8	Very low	31.9	Very low	93 Å²	93	89.4 Å²	89.4	46%	0.458	53%	0.531	S	S	.	.			trans	-125.7	119	-175.3	-148.8	169.7	160.8	0	0	110.5	S92	S92-M156 VanDerWaalsContact CA-CE 3.41Å; S92-M156 VanDerWaalsContact CB-SD 3.5Å; S92-M156 WeakPolarHBondContact OG-CE 3.37Å
157	V	25.1	Very low	33.1	Very low	134 Å²	134	81.6 Å²	81.6	81%	0.812	50%	0.498	S	S	*	.			trans	-93.7	130.7	170.9	178.8	0	0	0	0	108.6
158	M	25.2	Very low	33.9	Very low	136 Å²	136	78.9 Å²	78.9	67%	0.67	48%	0.48	S	S	*	.			trans	-74	123.8	-174.5	-76	176.6	68.4	0	0	113
159	Q	27.2	Very low	35.1	Very low	95 Å²	95	74.4 Å²	74.4	44%	0.444	45%	0.449	S	S	.	.			trans	-153.7	122.8	156.8	-90.3	-176.9	-25.5	0	0	111.7	N163 H196	Q159-N163 PolarHBondContact O-ND2 3.32Å; Q159-H196 VanDerWaalsContact OE1-CB 3.28Å; Q159-H196 PolarHBondContact OE1-CD2 3.07Å; Q159-H196 VanDerWaalsContact OE1-CG 3.23Å
160	P	35.7	Very low	36.2	Very low	94 Å²	94	73.6 Å²	73.6	61%	0.61	43%	0.43	S	S	*	.	S	Bend	trans	-77.4	159.7	167.9	-10.6	26.4	0	0	0	113
161	P	44.3	Very low	37.4	Very low	68 Å²	68	68.8 Å²	68.8	44%	0.442	40%	0.395	S	S	.	.	S	Bend	cis	-118.6	132.4	-16	34.7	-18.3	0	0	0	112.3
162	K	45.4	Very low	38.1	Very low	177 Å²	177	66.8 Å²	66.8	77%	0.77	37%	0.367	S	S	*	.			trans	86.8	91.3	179.2	-52.7	179.4	-176.9	-179.5	0	114.9
163	N	42.8	Very low	38.8	Very low	38 Å²	38	65.2 Å²	65.2	20%	0.203	36%	0.364	C	S	.	.			trans	-108	140.5	166.5	-58.8	-34.6	0	0	0	109.7	G90 Q159 A193	G90-N163 PolarHBondContact N-O 3.01Å; Q159-N163 PolarHBondContact O-ND2 3.32Å; N163-A193 CarbonylContact C-O 3.59Å
164	F	41.4	Very low	39.5	Very low	70 Å²	70	62.4 Å²	62.4	31%	0.307	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	127	167.7	170.7	-84.1	0	0	0	106.6	L87 L89 L166 I191 F192 A193	L87-F164 HydrophobicContact CD1-CD2 3.48Å; L87-F164 VanDerWaalsContact CD1-CD2 3.48Å; L87-F164 HydrophobicContact CD1-CE1 4.44Å; L87-F164 HydrophobicContact CD1-CE2 3.03Å; L87-F164 HydrophobicContact CD1-CG 4.35Å; L87-F164 HydrophobicContact CD1-CZ 3.58Å; L87-F164 HydrophobicContact CD2-CE2 4.44Å; L87-F164 HydrophobicContact CG-CE2 4.34Å; L89-F164 HydrophobicContact CD2-CB 4.3Å; L89-F164 HydrophobicContact CD2-CD2 3.73Å; L89-F164 HydrophobicContact CD2-CG 4.45Å; F164-L166 HydrophobicContact CD1-CB 4.28Å; F164-L166 HydrophobicContact CE1-CB 3.35Å; F164-L166 HydrophobicContact CE1-CD2 4.27Å; F164-L166 HydrophobicContact CE1-CG 4.42Å; F164-L166 HydrophobicContact CZ-CB 3.66Å; F164-L166 HydrophobicContact CZ-CD2 4.21Å; F164-L166 HydrophobicContact CZ-CG 4.46Å; F164-I191 HydrophobicContact CE1-CG2 4.25Å; F164-F192 WeakPolarHBondContact O-CA 3.38Å; F164-A193 HydrophobicContact CB-CB 4.27Å; F164-A193 WeakPolarHBondContact CB-O 3.3Å; F164-A193 HydrophobicContact CD1-CB 4.18Å; F164-A193 PolarHBondContact N-O 2.81Å; F164-A193 PolarHBondContact O-N 2.75Å
165	Y	45.8	Very low	40.5	Very low	19 Å²	19	62 Å²	62	8%	0.075	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.8	169.7	172.5	-100.6	0	0	0	108.7	R88 F152 N167 D190 I191 F192	R88-Y165 HydrophobicContact CB-CD1 4.46Å; R88-Y165 HydrophobicContact CG-CD1 4.33Å; R88-Y165 PolarHBondContact N-O 2.77Å; R88-Y165 PolarHBondContact O-N 3.08Å; F152-Y165 HydrophobicContact CE1-CE1 4.37Å; F152-Y165 AromaticContact CE2-CE1 3.89Å; F152-Y165 HydrophobicContact CE2-CE1 3.89Å; F152-Y165 HydrophobicContact CZ-CD1 4.2Å; F152-Y165 AromaticContact CZ-CE1 3.33Å; F152-Y165 HydrophobicContact CZ-CE1 3.33Å; F152-Y165 AromaticContact CZ-CZ 3.99Å; Y165-N167 HydrophobicContact CE1-CB 3.67Å; Y165-N167 VanDerWaalsContact CE1-CG 3.46Å; Y165-N167 HydrophobicContact CE2-CB 4.25Å; Y165-N167 VanDerWaalsContact CZ-CB 3.5Å; Y165-N167 WeakPolarHBondContact OH-CB 2.94Å; Y165-N167 PolarHBondContact OH-ND2 2.88Å; Y165-D190 HydrophobicContact CE2-CB 4.24Å; Y165-D190 PolarHBondContact OH-OD1 3.03Å; Y165-I191 CarbonylContact C-O 3.59Å; Y165-I191 WeakPolarHBondContact CA-O 3.39Å; Y165-F192 AromaticContact CD2-CD1 3.32Å; Y165-F192 HydrophobicContact CD2-CD1 3.32Å; Y165-F192 HydrophobicContact CD2-CD2 4.03Å; Y165-F192 AromaticContact CD2-CE1 3.07Å; Y165-F192 HydrophobicContact CD2-CE1 3.07Å; Y165-F192 AromaticContact CD2-CE2 3.82Å; Y165-F192 HydrophobicContact CD2-CE2 3.82Å; Y165-F192 AromaticContact CD2-CG 3.81Å; Y165-F192 HydrophobicContact CD2-CG 3.81Å; Y165-F192 AromaticContact CD2-CZ 3.36Å; Y165-F192 HydrophobicContact CD2-CZ 3.36Å; Y165-F192 AromaticContact CE2-CD1 4Å; Y165-F192 HydrophobicContact CE2-CD1 4Å; Y165-F192 HydrophobicContact CE2-CD2 4.13Å; Y165-F192 AromaticContact CE2-CE1 3.35Å; Y165-F192 HydrophobicContact CE2-CE1 3.35Å; Y165-F192 AromaticContact CE2-CE2 3.5Å; Y165-F192 HydrophobicContact CE2-CE2 3.5Å; Y165-F192 HydrophobicContact CE2-CG 4.36Å; Y165-F192 AromaticContact CE2-CZ 3.07Å; Y165-F192 HydrophobicContact CE2-CZ 3.07Å; Y165-F192 HydrophobicContact CG-CD1 4.2Å; Y165-F192 HydrophobicContact CG-CE1 4Å
166	L	47	Very low	41.4	Very low	48 Å²	48	60.8 Å²	60.8	25%	0.251	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122	175.2	167.4	68.2	0	0	0	107.2	Q86 F164 F189 D190 I191	Q86-L166 WeakPolarHBondContact O-CA 3.48Å; F164-L166 HydrophobicContact CD1-CB 4.28Å; F164-L166 HydrophobicContact CE1-CB 3.35Å; F164-L166 HydrophobicContact CE1-CD2 4.27Å; F164-L166 HydrophobicContact CE1-CG 4.42Å; F164-L166 HydrophobicContact CZ-CB 3.66Å; F164-L166 HydrophobicContact CZ-CD2 4.21Å; F164-L166 HydrophobicContact CZ-CG 4.46Å; L166-F189 HydrophobicContact CD1-CE2 4.18Å; L166-F189 HydrophobicContact CD2-CE2 3.96Å; L166-F189 HydrophobicContact CG-CD2 4.43Å; L166-F189 HydrophobicContact CG-CE2 3.78Å; L166-D190 CarbonylContact O-C 3.54Å; L166-D190 WeakPolarHBondContact O-CA 2.83Å; L166-I191 HydrophobicContact CB-CB 4.19Å; L166-I191 HydrophobicContact CD2-CD1 3.88Å; L166-I191 PolarHBondContact N-O 2.82Å; L166-I191 PolarHBondContact O-N 3.02Å
167	N	51.7	Low	42	Very low	20 Å²	20	57.3 Å²	57.3	11%	0.107	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	158	164.7	69.1	-24.1	0	0	0	111.3	G85 Q86 F152 Y165 F189 D190	G85-N167 CarbonylContact C-O 3.47Å; G85-N167 WeakPolarHBondContact CA-O 3.02Å; Q86-N167 WeakPolarHBondContact CB-OD1 3.22Å; Q86-N167 PolarHBondContact N-O 2.85Å; Q86-N167 PolarHBondContact N-OD1 2.86Å; Q86-N167 PolarHBondContact O-N 2.84Å; Q86-N167 VanDerWaalsContact O-N 3.09Å; Q86-N167 PolarHBondContact O-OD1 3.48Å; F152-N167 WeakPolarHBondContact CD2-ND2 3.21Å; F152-N167 VanDerWaalsContact CE2-CG 3.43Å; F152-N167 WeakPolarHBondContact CE2-ND2 3.02Å; F152-N167 WeakPolarHBondContact CE2-OD1 3.12Å; F152-N167 WeakPolarHBondContact CZ-ND2 3.29Å; Y165-N167 HydrophobicContact CE1-CB 3.67Å; Y165-N167 VanDerWaalsContact CE1-CG 3.46Å; Y165-N167 HydrophobicContact CE2-CB 4.25Å; Y165-N167 VanDerWaalsContact CZ-CB 3.5Å; Y165-N167 WeakPolarHBondContact OH-CB 2.94Å; Y165-N167 PolarHBondContact OH-ND2 2.88Å; N167-F189 CarbonylContact C-O 3.5Å; N167-F189 WeakPolarHBondContact CA-O 3.21Å; N167-D190 WeakPolarHBondContact CB-OD1 3.37Å
168	G	46.1	Very low	42.8	Very low	10 Å²	10	55.8 Å²	55.8	10%	0.103	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	168.6	173.1	0	0	0	0	0	112.8	T84 H188 F189	T84-G168 CarbonylContact O-C 3.58Å; T84-G168 WeakPolarHBondContact O-CA 3.22Å; G168-H188 WeakPolarHBondContact O-CA 3.01Å; G168-F189 VanDerWaalsContact C-CE1 3.42Å; G168-F189 PolarHBondContact N-O 2.95Å; G168-F189 VanDerWaalsContact O-CD1 3.22Å; G168-F189 WeakPolarHBondContact O-CD1 3.29Å; G168-F189 WeakPolarHBondContact O-CE1 3.48Å; G168-F189 PolarHBondContact O-N 2.86Å
169	K	51.8	Low	43.4	Very low	23 Å²	23	58.9 Å²	58.9	10%	0.1	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.6	175.5	-172.4	-172.7	-168.6	-172.5	0	107.5	T84 D171 D186 R187	T84-K169 PolarHBondContact N-O 3.27Å; T84-K169 VanDerWaalsContact N-O 3.07Å; T84-K169 PolarHBondContact O-N 2.96Å; K169-D171 HydrophobicContact CD-CB 4.15Å; K169-D171 WeakPolarHBondContact CE-OD2 3.41Å; K169-D171 HydrophobicContact CG-CB 4.26Å; K169-D171 IonicContact NZ-OD2 3.01Å; K169-D171 PolarHBondContact NZ-OD2 3.24Å; K169-D186 WeakPolarHBondContact CE-OD1 3.35Å; K169-D186 WeakPolarHBondContact CE-OD2 3.44Å; K169-D186 WeakPolarHBondContact CG-OD1 3.48Å; K169-D186 IonicContact NZ-OD1 3.2Å; K169-D186 IonicContact NZ-OD2 2.86Å; K169-D186 PolarHBondContact NZ-OD2 2.84Å; K169-R187 CarbonylContact C-O 3.51Å; K169-R187 WeakPolarHBondContact CA-O 3.48Å
170	L	51	Low	43.8	Very low	47 Å²	47	56 Å²	56	25%	0.246	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	107.1	163.6	175.6	68.4	0	0	0	106.6	L83 F172 F185 R187	L83-L170 HydrophobicContact CD1-CB 4.43Å; L83-L170 HydrophobicContact CD1-CD1 4.25Å; L170-F172 HydrophobicContact CD1-CD1 4.25Å; L170-F172 HydrophobicContact CD2-CD1 4.33Å; L170-F172 HydrophobicContact CD2-CE1 3.94Å; L170-F172 HydrophobicContact CG-CD1 3.94Å; L170-F172 HydrophobicContact CG-CE1 4.03Å; L170-F185 VanDerWaalsContact O-O 3.11Å; L170-R187 HydrophobicContact CB-CB 4.29Å; L170-R187 PolarHBondContact N-O 3.09Å; L170-R187 PolarHBondContact O-N 2.87Å
171	D	47.8	Very low	43.9	Very low	7 Å²	7	55.3 Å²	55.3	4%	0.037	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.3	178.9	-159.6	-16.3	0	0	0	109	I43 D82 K169 R184 F185	I43-D171 VanDerWaalsContact CD1-OD2 3.31Å; I43-D171 WeakPolarHBondContact CD1-OD2 3.23Å; D82-D171 PolarHBondContact N-O 2.99Å; D82-D171 PolarHBondContact O-N 2.76Å; D82-D171 VanDerWaalsContact O-N 3.09Å; K169-D171 HydrophobicContact CD-CB 4.15Å; K169-D171 WeakPolarHBondContact CE-OD2 3.41Å; K169-D171 HydrophobicContact CG-CB 4.26Å; K169-D171 IonicContact NZ-OD2 3.01Å; K169-D171 PolarHBondContact NZ-OD2 3.24Å; D171-R184 WeakPolarHBondContact OD1-CG 3.21Å; D171-R184 IonicContact OD1-CZ 3.06Å; D171-R184 IonicContact OD1-NE 3.35Å; D171-R184 PolarHBondContact OD1-NE 2.77Å; D171-R184 IonicContact OD1-NH2 3.81Å; D171-R184 IonicContact OD2-CZ 3.36Å; D171-R184 IonicContact OD2-NE 2.78Å; D171-R184 PolarHBondContact OD2-NE 2.91Å; D171-R184 IonicContact OD2-NH2 3.83Å; D171-R184 PolarHBondContact OD2-NH2 2.89Å; D171-F185 WeakPolarHBondContact CA-O 3.43Å
172	F	42.4	Very low	43.5	Very low	26 Å²	26	53.1 Å²	53.1	11%	0.114	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	123.9	171.3	59.6	-83.3	0	0	0	110.8	W81 L170 M174 F185	W81-F172 HydrophobicContact CG-CB 4.17Å; L170-F172 HydrophobicContact CD1-CD1 4.25Å; L170-F172 HydrophobicContact CD2-CD1 4.33Å; L170-F172 HydrophobicContact CD2-CE1 3.94Å; L170-F172 HydrophobicContact CG-CD1 3.94Å; L170-F172 HydrophobicContact CG-CE1 4.03Å; F172-M174 HydrophobicContact CD2-CG 3.84Å; F172-M174 HydrophobicContact CD2-SD 4.46Å; F172-M174 HydrophobicContact CE2-CG 3.9Å; F172-M174 HydrophobicContact CE2-SD 3.92Å; F172-F185 HydrophobicContact CD1-CB 3.95Å; F172-F185 HydrophobicContact CD2-CB 4.2Å; F172-F185 AromaticContact CD2-CD2 3.87Å; F172-F185 HydrophobicContact CD2-CD2 3.87Å; F172-F185 HydrophobicContact CD2-CG 4.39Å; F172-F185 HydrophobicContact CE1-CB 3.46Å; F172-F185 VanDerWaalsContact CE1-CB 3.46Å; F172-F185 HydrophobicContact CE1-CG 4.14Å; F172-F185 HydrophobicContact CE2-CB 3.74Å; F172-F185 AromaticContact CE2-CD2 3.22Å; F172-F185 HydrophobicContact CE2-CD2 3.22Å; F172-F185 AromaticContact CE2-CE2 3.99Å; F172-F185 HydrophobicContact CE2-CE2 3.99Å; F172-F185 AromaticContact CE2-CG 3.62Å; F172-F185 HydrophobicContact CE2-CG 3.62Å; F172-F185 HydrophobicContact CG-CB 4.3Å; F172-F185 HydrophobicContact CZ-CB 3.34Å; F172-F185 HydrophobicContact CZ-CD1 4.27Å; F172-F185 AromaticContact CZ-CD2 3.62Å; F172-F185 HydrophobicContact CZ-CD2 3.62Å; F172-F185 AromaticContact CZ-CG 3.47Å; F172-F185 HydrophobicContact CZ-CG 3.47Å; F172-F185 VanDerWaalsContact CZ-CG 3.47Å; F172-F185 PolarHBondContact N-O 3.29Å; F172-F185 VanDerWaalsContact N-O 3.17Å; F172-F185 PolarHBondContact O-N 2.63Å
173	P	43	Very low	43	Very low	33 Å²	33	50.3 Å²	50.3	21%	0.214	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	135.5	164.2	30.5	-31.4	0	0	0	109.4	I26 A79 F175 Y183	I26-P173 HydrophobicContact CD1-CB 4.3Å; A79-P173 WeakPolarHBondContact CB-O 3.17Å; P173-F175 HydrophobicContact CB-CZ 4.37Å; P173-F175 HydrophobicContact CG-CZ 4.49Å; P173-Y183 CarbonylContact C-O 3.45Å
174	M	40.3	Very low	42.9	Very low	48 Å²	48	51.4 Å²	51.4	24%	0.236	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	108	169.2	-79.5	-172	19.9	0	0	108.6	F172 T176 G182 Y183 F185	F172-M174 HydrophobicContact CD2-CG 3.84Å; F172-M174 HydrophobicContact CD2-SD 4.46Å; F172-M174 HydrophobicContact CE2-CG 3.9Å; F172-M174 HydrophobicContact CE2-SD 3.92Å; M174-T176 PolarHBondContact O-N 3.28Å; M174-G182 CarbonylContact O-C 3.57Å; M174-G182 VanDerWaalsContact O-C 3.3Å; M174-G182 WeakPolarHBondContact O-CA 3.37Å; M174-Y183 PolarHBondContact N-O 2.93Å; M174-Y183 PolarHBondContact O-N 3.13Å; M174-F185 HydrophobicContact CB-CE2 4.35Å; M174-F185 HydrophobicContact CE-CE2 4.05Å; M174-F185 HydrophobicContact CG-CD2 4.21Å; M174-F185 HydrophobicContact CG-CE2 4Å; M174-F185 HydrophobicContact SD-CD2 4.07Å; M174-F185 HydrophobicContact SD-CE2 3.45Å; M174-F185 WeakPolarHBondContact SD-CE2 3.48Å; M174-F185 HydrophobicContact SD-CZ 4.28Å
175	F	45	Very low	42.9	Very low	27 Å²	27	51.2 Å²	51.2	12%	0.118	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	129.4	173.3	-56.3	-76.3	0	0	0	110.3	R14 P23 I26 N78 P173 E181	R14-F175 PolarHBondContact NH1-O 2.8Å; P23-F175 HydrophobicContact CG-CD1 3.98Å; P23-F175 HydrophobicContact CG-CE1 3.25Å; P23-F175 HydrophobicContact CG-CZ 3.84Å; I26-F175 HydrophobicContact CD1-CE1 3.95Å; I26-F175 HydrophobicContact CD1-CZ 4.11Å; N78-F175 HydrophobicContact CB-CB 4.43Å; N78-F175 HydrophobicContact CB-CD2 3.83Å; N78-F175 WeakPolarHBondContact O-CD2 3.25Å; N78-F175 WeakPolarHBondContact O-CE2 3.24Å; P173-F175 HydrophobicContact CB-CZ 4.37Å; P173-F175 HydrophobicContact CG-CZ 4.49Å; F175-E181 CarbonylContact C-O 3.47Å; F175-E181 WeakPolarHBondContact CA-O 3.38Å
176	T	44.4	Very low	43	Very low	63 Å²	63	51.6 Å²	51.6	39%	0.387	27%	0.268	S	S	.	.			trans	-122	-8.3	-177.7	53.7	0	0	0	0	113.9	M174 E181 Y183	M174-T176 PolarHBondContact O-N 3.28Å; T176-E181 PolarHBondContact N-O 2.9Å; T176-Y183 HydrophobicContact CG2-CD2 3.39Å; T176-Y183 HydrophobicContact CG2-CE2 3.58Å
177	G	38.3	Very low	43.1	Very low	21 Å²	21	54.5 Å²	54.5	22%	0.216	28%	0.275	C	S	.	.	S	Bend	trans	-137.5	171.1	174.1	0	0	0	0	0	113.1	Y179 E181	G177-Y179 VanDerWaalsContact C-N 3.29Å; G177-E181 WeakPolarHBondContact CA-OE2 3.13Å; G177-E181 PolarHBondContact N-O 3.48Å; G177-E181 VanDerWaalsContact N-O 3.11Å
178	T	42.4	Very low	43.1	Very low	101 Å²	101	55.5 Å²	55.5	62%	0.62	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-13.2	-171.2	-28.5	0	0	0	0	112.7	E181	T178-E181 PolarHBondContact N-OE2 3.17Å; T178-E181 VanDerWaalsContact N-OE2 3.15Å
179	Y	37.1	Very low	43	Very low	202 Å²	202	57.4 Å²	57.4	79%	0.792	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	30	-170.8	-59.1	-76.9	0	0	0	112.4	G177 E181	G177-Y179 VanDerWaalsContact C-N 3.29Å; Y179-E181 WeakPolarHBondContact CA-OE2 3.08Å; Y179-E181 PolarHBondContact N-OE2 2.96Å
180	G	35.4	Very low	42.6	Very low	35 Å²	35	58.5 Å²	58.5	36%	0.361	29%	0.292	S	S	.	.	S	Bend	trans	86.2	8.6	-179.6	0	0	0	0	0	114.3
181	E	38.3	Very low	42.4	Very low	78 Å²	78	58.5 Å²	58.5	36%	0.364	29%	0.292	S	S	.	.			trans	-68	135.1	172.9	-52.8	101.6	144	0	0	110.8	F175 T176 G177 T178 Y179	F175-E181 CarbonylContact C-O 3.47Å; F175-E181 WeakPolarHBondContact CA-O 3.38Å; T176-E181 PolarHBondContact N-O 2.9Å; G177-E181 WeakPolarHBondContact CA-OE2 3.13Å; G177-E181 PolarHBondContact N-O 3.48Å; G177-E181 VanDerWaalsContact N-O 3.11Å; T178-E181 PolarHBondContact N-OE2 3.17Å; T178-E181 VanDerWaalsContact N-OE2 3.15Å; Y179-E181 WeakPolarHBondContact CA-OE2 3.08Å; Y179-E181 PolarHBondContact N-OE2 2.96Å
182	G	35.4	Very low	42.3	Very low	22 Å²	22	61.4 Å²	61.4	23%	0.227	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	158.5	176.6	0	0	0	0	0	115.1	M174	M174-G182 CarbonylContact O-C 3.57Å; M174-G182 VanDerWaalsContact O-C 3.3Å; M174-G182 WeakPolarHBondContact O-CA 3.37Å
183	Y	36.6	Very low	42.2	Very low	119 Å²	119	61.7 Å²	61.7	47%	0.467	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.8	172	-64.3	-72.1	0	0	0	109.8	P173 M174 T176	P173-Y183 CarbonylContact C-O 3.45Å; M174-Y183 PolarHBondContact N-O 2.93Å; M174-Y183 PolarHBondContact O-N 3.13Å; T176-Y183 HydrophobicContact CG2-CD2 3.39Å; T176-Y183 HydrophobicContact CG2-CE2 3.58Å
184	R	39.5	Very low	42.4	Very low	61 Å²	61	61.7 Å²	61.7	23%	0.23	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.8	168.8	-172.5	173.1	-178.8	175.7	-4.4	109.5	D171	D171-R184 WeakPolarHBondContact OD1-CG 3.21Å; D171-R184 IonicContact OD1-CZ 3.06Å; D171-R184 IonicContact OD1-NE 3.35Å; D171-R184 PolarHBondContact OD1-NE 2.77Å; D171-R184 IonicContact OD1-NH2 3.81Å; D171-R184 IonicContact OD2-CZ 3.36Å; D171-R184 IonicContact OD2-NE 2.78Å; D171-R184 PolarHBondContact OD2-NE 2.91Å; D171-R184 IonicContact OD2-NH2 3.83Å; D171-R184 PolarHBondContact OD2-NH2 2.89Å
185	F	42.4	Very low	42.3	Very low	66 Å²	66	68.5 Å²	68.5	29%	0.289	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	103.2	171.9	-67.1	-89.3	0	0	0	107.6	L170 D171 F172 M174	L170-F185 VanDerWaalsContact O-O 3.11Å; D171-F185 WeakPolarHBondContact CA-O 3.43Å; F172-F185 HydrophobicContact CD1-CB 3.95Å; F172-F185 HydrophobicContact CD2-CB 4.2Å; F172-F185 AromaticContact CD2-CD2 3.87Å; F172-F185 HydrophobicContact CD2-CD2 3.87Å; F172-F185 HydrophobicContact CD2-CG 4.39Å; F172-F185 HydrophobicContact CE1-CB 3.46Å; F172-F185 VanDerWaalsContact CE1-CB 3.46Å; F172-F185 HydrophobicContact CE1-CG 4.14Å; F172-F185 HydrophobicContact CE2-CB 3.74Å; F172-F185 AromaticContact CE2-CD2 3.22Å; F172-F185 HydrophobicContact CE2-CD2 3.22Å; F172-F185 AromaticContact CE2-CE2 3.99Å; F172-F185 HydrophobicContact CE2-CE2 3.99Å; F172-F185 AromaticContact CE2-CG 3.62Å; F172-F185 HydrophobicContact CE2-CG 3.62Å; F172-F185 HydrophobicContact CG-CB 4.3Å; F172-F185 HydrophobicContact CZ-CB 3.34Å; F172-F185 HydrophobicContact CZ-CD1 4.27Å; F172-F185 AromaticContact CZ-CD2 3.62Å; F172-F185 HydrophobicContact CZ-CD2 3.62Å; F172-F185 AromaticContact CZ-CG 3.47Å; F172-F185 HydrophobicContact CZ-CG 3.47Å; F172-F185 VanDerWaalsContact CZ-CG 3.47Å; F172-F185 PolarHBondContact N-O 3.29Å; F172-F185 VanDerWaalsContact N-O 3.17Å; F172-F185 PolarHBondContact O-N 2.63Å; M174-F185 HydrophobicContact CB-CE2 4.35Å; M174-F185 HydrophobicContact CE-CE2 4.05Å; M174-F185 HydrophobicContact CG-CD2 4.21Å; M174-F185 HydrophobicContact CG-CE2 4Å; M174-F185 HydrophobicContact SD-CD2 4.07Å; M174-F185 HydrophobicContact SD-CE2 3.45Å; M174-F185 WeakPolarHBondContact SD-CE2 3.48Å; M174-F185 HydrophobicContact SD-CZ 4.28Å
186	D	46.9	Very low	41.8	Very low	27 Å²	27	72 Å²	72	14%	0.144	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	104.4	173	-171.4	0.3	0	0	0	109.1	K169 H188 H205	K169-D186 WeakPolarHBondContact CE-OD1 3.35Å; K169-D186 WeakPolarHBondContact CE-OD2 3.44Å; K169-D186 WeakPolarHBondContact CG-OD1 3.48Å; K169-D186 IonicContact NZ-OD1 3.2Å; K169-D186 IonicContact NZ-OD2 2.86Å; K169-D186 PolarHBondContact NZ-OD2 2.84Å; D186-H188 VanDerWaalsContact CG-NE2 3.26Å; D186-H188 IonicContact OD1-CD2 3.16Å; D186-H188 PolarHBondContact OD1-CD2 3.12Å; D186-H188 IonicContact OD1-CE1 2.64Å; D186-H188 IonicContact OD1-NE2 3.72Å; D186-H188 PolarHBondContact OD1-NE2 2.71Å; D186-H188 IonicContact OD2-CD2 3.74Å; D186-H188 IonicContact OD2-NE2 2.86Å; D186-H188 PolarHBondContact OD2-NE2 2.78Å; D186-H205 HydrophobicContact CB-CB 4.19Å; D186-H205 VanDerWaalsContact O-CB 3.3Å; D186-H205 WeakPolarHBondContact O-CB 3.39Å; D186-H205 PolarHBondContact O-N 3.15Å
187	R	50.2	Low	41.3	Very low	108 Å²	108	74.9 Å²	74.9	41%	0.408	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.7	178.2	-66.4	-171.5	179.4	-153.8	-2.3	109.6	K169 L170 H204	K169-R187 CarbonylContact C-O 3.51Å; K169-R187 WeakPolarHBondContact CA-O 3.48Å; L170-R187 HydrophobicContact CB-CB 4.29Å; L170-R187 PolarHBondContact N-O 3.09Å; L170-R187 PolarHBondContact O-N 2.87Å; R187-H204 VanDerWaalsContact CZ-NE2 3.32Å; R187-H204 PolarHBondContact NH2-NE2 2.83Å
188	H	50.9	Low	41	Very low	41 Å²	41	78.5 Å²	78.5	19%	0.19	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	141.8	170.2	-64.8	-95.1	0	0	0	109.1	G168 D186 G203 H205	G168-H188 WeakPolarHBondContact O-CA 3.01Å; D186-H188 VanDerWaalsContact CG-NE2 3.26Å; D186-H188 IonicContact OD1-CD2 3.16Å; D186-H188 PolarHBondContact OD1-CD2 3.12Å; D186-H188 IonicContact OD1-CE1 2.64Å; D186-H188 IonicContact OD1-NE2 3.72Å; D186-H188 PolarHBondContact OD1-NE2 2.71Å; D186-H188 IonicContact OD2-CD2 3.74Å; D186-H188 IonicContact OD2-NE2 2.86Å; D186-H188 PolarHBondContact OD2-NE2 2.78Å; H188-G203 PolarHBondContact N-O 2.94Å; H188-G203 PolarHBondContact O-N 2.87Å; H188-G203 VanDerWaalsContact O-O 3.07Å; H188-H205 AromaticContact CD2-CD2 3.38Å; H188-H205 PolarHBondContact CD2-CD2 3.13Å; H188-H205 AromaticContact CD2-NE2 3.48Å; H188-H205 PolarHBondContact CD2-NE2 3.24Å
189	F	44.6	Very low	40.3	Very low	50 Å²	50	76.5 Å²	76.5	22%	0.219	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	141.9	172.8	63.3	-85.8	0	0	0	110.2	L166 N167 G168 I191	L166-F189 HydrophobicContact CD1-CE2 4.18Å; L166-F189 HydrophobicContact CD2-CE2 3.96Å; L166-F189 HydrophobicContact CG-CD2 4.43Å; L166-F189 HydrophobicContact CG-CE2 3.78Å; N167-F189 CarbonylContact C-O 3.5Å; N167-F189 WeakPolarHBondContact CA-O 3.21Å; G168-F189 VanDerWaalsContact C-CE1 3.42Å; G168-F189 PolarHBondContact N-O 2.95Å; G168-F189 VanDerWaalsContact O-CD1 3.22Å; G168-F189 WeakPolarHBondContact O-CD1 3.29Å; G168-F189 WeakPolarHBondContact O-CE1 3.48Å; G168-F189 PolarHBondContact O-N 2.86Å; F189-I191 HydrophobicContact CD2-CD1 4.16Å
190	D	43.6	Very low	39.9	Very low	46 Å²	46	71 Å²	71	25%	0.246	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.3	170.3	-70	-65.4	0	0	0	108.2	Y165 L166 N167 F192 T201	Y165-D190 HydrophobicContact CE2-CB 4.24Å; Y165-D190 PolarHBondContact OH-OD1 3.03Å; L166-D190 CarbonylContact O-C 3.54Å; L166-D190 WeakPolarHBondContact O-CA 2.83Å; N167-D190 WeakPolarHBondContact CB-OD1 3.37Å; D190-F192 HydrophobicContact CB-CE2 3.95Å; D190-T201 PolarHBondContact N-O 2.81Å; D190-T201 PolarHBondContact O-N 2.72Å; D190-T201 VanDerWaalsContact O-O 3.07Å
191	I	45.8	Very low	39.7	Very low	47 Å²	47	73 Å²	73	24%	0.241	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	118.2	178.6	-66.1	164.3	0	0	0	107.5	F164 Y165 L166 F189 V200	F164-I191 HydrophobicContact CE1-CG2 4.25Å; Y165-I191 CarbonylContact C-O 3.59Å; Y165-I191 WeakPolarHBondContact CA-O 3.39Å; L166-I191 HydrophobicContact CB-CB 4.19Å; L166-I191 HydrophobicContact CD2-CD1 3.88Å; L166-I191 PolarHBondContact N-O 2.82Å; L166-I191 PolarHBondContact O-N 3.02Å; F189-I191 HydrophobicContact CD2-CD1 4.16Å; I191-V200 HydrophobicContact CG1-CG1 4.12Å; I191-V200 HydrophobicContact CG1-CG2 4.43Å
192	F	44.9	Very low	39.4	Very low	68 Å²	68	73.3 Å²	73.3	30%	0.298	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124	172.1	-61.1	-98.2	0	0	0	108.7	F164 Y165 D190 V198 S199	F164-F192 WeakPolarHBondContact O-CA 3.38Å; Y165-F192 AromaticContact CD2-CD1 3.32Å; Y165-F192 HydrophobicContact CD2-CD1 3.32Å; Y165-F192 HydrophobicContact CD2-CD2 4.03Å; Y165-F192 AromaticContact CD2-CE1 3.07Å; Y165-F192 HydrophobicContact CD2-CE1 3.07Å; Y165-F192 AromaticContact CD2-CE2 3.82Å; Y165-F192 HydrophobicContact CD2-CE2 3.82Å; Y165-F192 AromaticContact CD2-CG 3.81Å; Y165-F192 HydrophobicContact CD2-CG 3.81Å; Y165-F192 AromaticContact CD2-CZ 3.36Å; Y165-F192 HydrophobicContact CD2-CZ 3.36Å; Y165-F192 AromaticContact CE2-CD1 4Å; Y165-F192 HydrophobicContact CE2-CD1 4Å; Y165-F192 HydrophobicContact CE2-CD2 4.13Å; Y165-F192 AromaticContact CE2-CE1 3.35Å; Y165-F192 HydrophobicContact CE2-CE1 3.35Å; Y165-F192 AromaticContact CE2-CE2 3.5Å; Y165-F192 HydrophobicContact CE2-CE2 3.5Å; Y165-F192 HydrophobicContact CE2-CG 4.36Å; Y165-F192 AromaticContact CE2-CZ 3.07Å; Y165-F192 HydrophobicContact CE2-CZ 3.07Å; Y165-F192 HydrophobicContact CG-CD1 4.2Å; Y165-F192 HydrophobicContact CG-CE1 4Å; D190-F192 HydrophobicContact CB-CE2 3.95Å; F192-V198 WeakPolarHBondContact O-CA 3.17Å; F192-S199 PolarHBondContact N-O 3.35Å; F192-S199 PolarHBondContact O-N 2.79Å
193	A	40.8	Very low	39.1	Very low	32 Å²	32	73.3 Å²	73.3	26%	0.264	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	131	175.3	0	0	0	0	0	110.2	N163 F164 V198	N163-A193 CarbonylContact C-O 3.59Å; F164-A193 HydrophobicContact CB-CB 4.27Å; F164-A193 WeakPolarHBondContact CB-O 3.3Å; F164-A193 HydrophobicContact CD1-CB 4.18Å; F164-A193 PolarHBondContact N-O 2.81Å; F164-A193 PolarHBondContact O-N 2.75Å; A193-V198 HydrophobicContact CB-CG2 4.39Å
194	G	46.8	Very low	38.9	Very low	34 Å²	34	72.9 Å²	72.9	35%	0.351	39%	0.387	S	S	.	.	S	Bend	trans	-164.2	-161.3	-176.6	0	0	0	0	0	112	H196	G194-H196 PolarHBondContact O-N 3.5Å; G194-H196 VanDerWaalsContact O-N 3.11Å
195	R	38.9	Very low	38.5	Very low	190 Å²	190	72.7 Å²	72.7	72%	0.717	39%	0.388	S	S	*	.	S	Bend	trans	-72.3	2.4	-179.4	-133.1	175.7	-176.4	-165.8	1.9	114.2
196	H	35.1	Very low	37.8	Very low	101 Å²	101	75.2 Å²	75.2	47%	0.468	41%	0.409	S	S	.	.	S	Bend	trans	-139.5	161.2	-180	-66.2	-66.5	0	0	0	108.9	Q159 G194 V198	Q159-H196 VanDerWaalsContact OE1-CB 3.28Å; Q159-H196 PolarHBondContact OE1-CD2 3.07Å; Q159-H196 VanDerWaalsContact OE1-CG 3.23Å; G194-H196 PolarHBondContact O-N 3.5Å; G194-H196 VanDerWaalsContact O-N 3.11Å; H196-V198 PolarHBondContact O-N 2.81Å
197	P	34.1	Very low	36.9	Very low	123 Å²	123	77.1 Å²	77.1	80%	0.799	42%	0.42	S	S	*	.			trans	-55.7	136.5	-148.9	20.8	-31.2	0	0	0	113.2	S199	P197-S199 PolarHBondContact O-N 2.85Å; P197-S199 VanDerWaalsContact O-N 3.13Å
198	V	31.4	Very low	35.7	Very low	97 Å²	97	76.9 Å²	76.9	59%	0.588	43%	0.432	S	S	*	.			trans	-53.4	119.2	175.5	-179.2	0	0	0	0	108.3	F192 A193 H196 V200	F192-V198 WeakPolarHBondContact O-CA 3.17Å; A193-V198 HydrophobicContact CB-CG2 4.39Å; H196-V198 PolarHBondContact O-N 2.81Å; V198-V200 HydrophobicContact CG1-CG2 3.84Å
199	S	27.8	Very low	34.7	Very low	60 Å²	60	77.1 Å²	77.1	42%	0.42	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	115.5	172.5	-168.5	0	0	0	0	107.7	F192 P197	F192-S199 PolarHBondContact N-O 3.35Å; F192-S199 PolarHBondContact O-N 2.79Å; P197-S199 PolarHBondContact O-N 2.85Å; P197-S199 VanDerWaalsContact O-N 3.13Å
200	V	29.4	Very low	33.7	Very low	87 Å²	87	81.9 Å²	81.9	53%	0.527	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	112	173.1	-179.7	0	0	0	0	106.1	I191 V198 V202	I191-V200 HydrophobicContact CG1-CG1 4.12Å; I191-V200 HydrophobicContact CG1-CG2 4.43Å; V198-V200 HydrophobicContact CG1-CG2 3.84Å; V200-V202 HydrophobicContact CG1-CG2 3.8Å
201	T	30	Very low	33	Very low	75 Å²	75	86 Å²	86	46%	0.46	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114.5	170	-55.4	0	0	0	0	107.4	D190	D190-T201 PolarHBondContact N-O 2.81Å; D190-T201 PolarHBondContact O-N 2.72Å; D190-T201 VanDerWaalsContact O-O 3.07Å
202	V	32.6	Very low	32	Very low	85 Å²	85	87.8 Å²	87.8	52%	0.515	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	112.8	172	-175	0	0	0	0	107.1	V200	V200-V202 HydrophobicContact CG1-CG2 3.8Å
203	G	28.9	Very low	31.1	Very low	23 Å²	23	91 Å²	91	24%	0.237	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	114.8	170.3	0	0	0	0	0	109.5	H188	H188-G203 PolarHBondContact N-O 2.94Å; H188-G203 PolarHBondContact O-N 2.87Å; H188-G203 VanDerWaalsContact O-O 3.07Å
204	H	33	Very low	30.4	Very low	110 Å²	110	97.1 Å²	97.1	51%	0.509	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	114.3	164.7	-92.1	104	0	0	0	108.7	R187	R187-H204 VanDerWaalsContact CZ-NE2 3.32Å; R187-H204 PolarHBondContact NH2-NE2 2.83Å
205	H	31.4	Very low	29.2	Very low	56 Å²	56	107.1 Å²	107.1	26%	0.259	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99	90	161.5	-56	-102.7	0	0	0	107	D186 H188 N207	D186-H205 HydrophobicContact CB-CB 4.19Å; D186-H205 VanDerWaalsContact O-CB 3.3Å; D186-H205 WeakPolarHBondContact O-CB 3.39Å; D186-H205 PolarHBondContact O-N 3.15Å; H188-H205 AromaticContact CD2-CD2 3.38Å; H188-H205 PolarHBondContact CD2-CD2 3.13Å; H188-H205 AromaticContact CD2-NE2 3.48Å; H188-H205 PolarHBondContact CD2-NE2 3.24Å; H205-N207 PolarHBondContact O-N 2.83Å
206	T	27.2	Very low	28.8	Very low	119 Å²	119	111 Å²	111	73%	0.73	60%	0.597	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.6	94.7	159.1	42.1	0	0	0	0	106.6	P208	T206-P208 VanDerWaalsContact O-CD 3.25Å; T206-P208 WeakPolarHBondContact O-CD 3.44Å
207	N	27.9	Very low	28.5	Very low	68 Å²	68	111.5 Å²	111.5	36%	0.364	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.1	102.8	168.2	-144.9	-4.3	0	0	0	107.6	H205 F209	H205-N207 PolarHBondContact O-N 2.83Å; N207-F209 PolarHBondContact O-N 2.96Å
208	P	24.3	Very low	28.2	Very low	103 Å²	103	110.9 Å²	110.9	67%	0.669	59%	0.593	S	S	*	*			trans	-71.1	95.8	171.5	28.4	-30.7	0	0	0	108.2	T206	T206-P208 VanDerWaalsContact O-CD 3.25Å; T206-P208 WeakPolarHBondContact O-CD 3.44Å
209	F	30.5	Very low	28	Very low	45 Å²	45	111.7 Å²	111.7	20%	0.197	59%	0.593	C	S	.	*			trans	-89.3	108.2	171.8	-130	-95.5	0	0	0	109.1	T27 V28 N207 Q211	T27-F209 WeakPolarHBondContact O-CE1 3.43Å; T27-F209 WeakPolarHBondContact O-CZ 3.42Å; V28-F209 HydrophobicContact CB-CE2 4.31Å; V28-F209 HydrophobicContact CG1-CD2 4.09Å; V28-F209 HydrophobicContact CG1-CE2 3.79Å; N207-F209 PolarHBondContact O-N 2.96Å; F209-Q211 HydrophobicContact CD1-CB 4.28Å; F209-Q211 HydrophobicContact CD1-CG 4.4Å; F209-Q211 HydrophobicContact CE1-CB 4.04Å; F209-Q211 HydrophobicContact CE1-CG 3.93Å
210	I	24.3	Very low	28.1	Very low	151 Å²	151	114.7 Å²	114.7	77%	0.774	60%	0.603	S	S	*	*			trans	-117.6	99.9	160.2	-61.2	177.8	0	0	0	104.8
211	Q	29.1	Very low	28	Very low	132 Å²	132	116.4 Å²	116.4	62%	0.617	61%	0.608	S	S	*	*			trans	-125.8	103.6	160.6	-82.8	-167.7	-10.8	0	0	108.4	F209 M213	F209-Q211 HydrophobicContact CD1-CB 4.28Å; F209-Q211 HydrophobicContact CD1-CG 4.4Å; F209-Q211 HydrophobicContact CE1-CB 4.04Å; F209-Q211 HydrophobicContact CE1-CG 3.93Å; Q211-M213 PolarHBondContact O-N 3.11Å
212	A	23.3	Very low	27.8	Very low	84 Å²	84	119.2 Å²	119.2	69%	0.694	62%	0.618	S	S	*	*			trans	-67.4	108.3	160.5	0	0	0	0	0	107.6	L214	A212-L214 PolarHBondContact O-N 3.48Å
213	M	26.8	Very low	27.5	Very low	136 Å²	136	121.6 Å²	121.6	67%	0.67	63%	0.625	S	S	*	*			trans	-86.3	94.8	161.4	-76.7	-155.2	-76	0	0	108.8	Q211	Q211-M213 PolarHBondContact O-N 3.11Å
214	L	25	Very low	27.4	Very low	161 Å²	161	129.2 Å²	129.2	84%	0.843	66%	0.655	S	S	*	*			trans	11.3	123.5	151.1	-66.4	160.2	0	0	0	118	A212 E216	A212-L214 PolarHBondContact O-N 3.48Å; L214-E216 PolarHBondContact O-N 3.25Å
215	R	23	Very low	26.9	Very low	244 Å²	244	130.8 Å²	130.8	92%	0.921	67%	0.667	S	S	*	*			trans	-44.4	123	146.9	-69	172.4	172.9	-178.5	-3.5	110.5
216	E	30.6	Very low	26.5	Very low	271 Å²	271	137.6 Å²	137.6	100%	1.266	70%	0.704	S	S	*	*				-154.9	0	114.2	-98	178.8	-170.4	0	0	109.3	L214	L214-E216 PolarHBondContact O-N 3.25Å

Retrieved 216 of 216 residues in 138.2 ms (Link to these results)

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