A0A3Q0KTB6_SCHMA Loading...

Cu/zn superoxide dismutase,putative

AlphaFold DB , UniProt , Accession A0A3Q0KTB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 178 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	45.5	Very low	46.4	Very low	237 Å²	237	166.5 Å²	166.5	100%	1.167	80%	0.8	S	S	*	*				0	98.6	0	-171.1	174.1	80.4	0	0	107.5
2	L	42.8	Very low	46.4	Very low	156 Å²	156	161.8 Å²	161.8	82%	0.817	79%	0.79	S	S	*	*			trans	158.5	96.6	164.7	-88	158.7	0	0	0	106.2	Y4	L2-Y4 PolarHBondContact O-N 2.84Å
3	L	42.9	Very low	46	Very low	160 Å²	160	160.5 Å²	160.5	84%	0.838	79%	0.788	S	S	*	*			trans	-80.8	99.9	-173.6	-164	80	0	0	0	108.3	I5	L3-I5 PolarHBondContact O-N 2.9Å
4	Y	46	Very low	46.3	Very low	190 Å²	190	157.5 Å²	157.5	75%	0.745	78%	0.784	S	S	*	*			trans	-76	105.8	173	-82.3	-92.9	0	0	0	109.1	L2 Y6	L2-Y4 PolarHBondContact O-N 2.84Å; Y4-Y6 WeakPolarHBondContact O-CD2 3.5Å; Y4-Y6 PolarHBondContact O-N 3.01Å; Y4-Y6 VanDerWaalsContact O-N 3.15Å
5	I	53.6	Low	46	Very low	137 Å²	137	159.9 Å²	159.9	70%	0.703	79%	0.787	S	S	*	*			trans	-73.2	100.6	174.2	-64.8	168.1	0	0	0	107.6	L3 I7	L3-I5 PolarHBondContact O-N 2.9Å; I5-I7 HydrophobicContact CG2-CG1 4.13Å; I5-I7 PolarHBondContact O-N 3.06Å
6	Y	44.9	Very low	45.8	Very low	205 Å²	205	153.8 Å²	153.8	80%	0.804	78%	0.778	S	S	*	*			trans	-74.1	98.4	168.7	-75.7	-91.2	0	0	0	108.7	Y4 L8	Y4-Y6 WeakPolarHBondContact O-CD2 3.5Å; Y4-Y6 PolarHBondContact O-N 3.01Å; Y4-Y6 VanDerWaalsContact O-N 3.15Å; Y6-L8 PolarHBondContact O-N 3.4Å; Y6-L8 VanDerWaalsContact O-N 3.08Å
7	I	50.8	Low	45.7	Very low	145 Å²	145	150.8 Å²	150.8	74%	0.744	78%	0.775	S	S	*	*			trans	-71.1	100.3	166.2	-70.9	168	0	0	0	106.9	I5 L9	I5-I7 HydrophobicContact CG2-CG1 4.13Å; I5-I7 PolarHBondContact O-N 3.06Å; I7-L9 PolarHBondContact O-N 2.83Å
8	L	43.8	Very low	45.3	Very low	134 Å²	134	146.7 Å²	146.7	70%	0.702	78%	0.776	S	S	*	*			trans	-69.5	97.1	172.5	-142.2	83.4	0	0	0	107.8	Y6 F10	Y6-L8 PolarHBondContact O-N 3.4Å; Y6-L8 VanDerWaalsContact O-N 3.08Å; L8-F10 HydrophobicContact CD2-CE2 4.45Å; L8-F10 HydrophobicContact CD2-CZ 4.43Å; L8-F10 PolarHBondContact O-N 2.87Å
9	L	45.5	Very low	45.2	Very low	143 Å²	143	150.2 Å²	150.2	75%	0.749	78%	0.777	S	S	*	*			trans	-69.1	101	175.3	-161.6	78.7	0	0	0	108.3	I7 I11	I7-L9 PolarHBondContact O-N 2.83Å; L9-I11 PolarHBondContact O-N 3.05Å
10	F	43.5	Very low	44.9	Very low	175 Å²	175	149.7 Å²	149.7	77%	0.768	78%	0.781	S	S	*	*			trans	-66.3	96.9	170.3	-78.9	-91.3	0	0	0	108.8	L8 T12	L8-F10 HydrophobicContact CD2-CE2 4.45Å; L8-F10 HydrophobicContact CD2-CZ 4.43Å; L8-F10 PolarHBondContact O-N 2.87Å; F10-T12 VanDerWaalsContact C-N 3.34Å; F10-T12 PolarHBondContact O-N 2.8Å
11	I	50.9	Low	44.8	Very low	149 Å²	149	147.4 Å²	147.4	76%	0.764	78%	0.776	S	S	*	*			trans	-70.2	96.6	168.7	-44.3	175.5	0	0	0	106.1	L9 N13	L9-I11 PolarHBondContact O-N 3.05Å; I11-N13 PolarHBondContact O-N 2.86Å; I11-N13 VanDerWaalsContact O-N 3.11Å
12	T	46.9	Very low	44.7	Very low	111 Å²	111	144.4 Å²	144.4	68%	0.681	76%	0.759	S	S	*	*			trans	-62.8	115.5	171.7	45.7	0	0	0	0	107.8	F10 V14	F10-T12 VanDerWaalsContact C-N 3.34Å; F10-T12 PolarHBondContact O-N 2.8Å; T12-V14 PolarHBondContact O-N 2.98Å
13	N	40.8	Very low	45.2	Very low	144 Å²	144	142.3 Å²	142.3	77%	0.77	76%	0.756	S	S	*	*			trans	-71.2	76.5	176.9	-152.3	-41.1	0	0	0	107.8	I11 K15	I11-N13 PolarHBondContact O-N 2.86Å; I11-N13 VanDerWaalsContact O-N 3.11Å; N13-K15 VanDerWaalsContact C-N 3.3Å; N13-K15 PolarHBondContact O-N 3.01Å
14	V	50.4	Low	45.7	Very low	119 Å²	119	143.6 Å²	143.6	72%	0.721	76%	0.755	S	S	*	*			trans	-69.5	95.8	171.2	179.5	0	0	0	0	106.1	T12 G16	T12-V14 PolarHBondContact O-N 2.98Å; V14-G16 PolarHBondContact O-N 2.82Å
15	K	41.2	Very low	46.2	Very low	193 Å²	193	142.5 Å²	142.5	84%	0.839	76%	0.757	S	S	*	*			trans	-65.2	73.3	162.1	-70.6	-175.4	177.2	-178.7	0	108.2	N13 S17	N13-K15 VanDerWaalsContact C-N 3.3Å; N13-K15 PolarHBondContact O-N 3.01Å; K15-S17 PolarHBondContact O-N 2.97Å; K15-S17 VanDerWaalsContact O-N 3.11Å
16	G	43.7	Very low	46.8	Very low	62 Å²	62	139.2 Å²	139.2	64%	0.639	74%	0.743	S	S	*	*			trans	-65.3	107.4	168	0	0	0	0	0	107.9	V14 G18	V14-G16 PolarHBondContact O-N 2.82Å; G16-G18 PolarHBondContact O-N 2.99Å
17	S	44.4	Very low	48.1	Very low	103 Å²	103	132.7 Å²	132.7	72%	0.72	72%	0.724	S	S	*	*			trans	-16.1	115.3	163.1	170.9	0	0	0	0	112.8	K15 R19	K15-S17 PolarHBondContact O-N 2.97Å; K15-S17 VanDerWaalsContact O-N 3.11Å; S17-R19 VanDerWaalsContact C-N 3.32Å; S17-R19 PolarHBondContact O-N 3.35Å
18	G	38.7	Very low	49.8	Very low	77 Å²	77	128.4 Å²	128.4	79%	0.794	70%	0.701	S	S	*	*			trans	-56.8	92	174.4	0	0	0	0	0	111.2	G16	G16-G18 PolarHBondContact O-N 2.99Å
19	R	43.4	Very low	52.2	Low	214 Å²	214	122.2 Å²	122.2	81%	0.808	67%	0.668	S	S	*	*			trans	-82.8	109.5	151.6	-67.7	-174.9	-179.9	-174.7	0.4	104.5	S17 P21	S17-R19 VanDerWaalsContact C-N 3.32Å; S17-R19 PolarHBondContact O-N 3.35Å; R19-P21 HydrophobicContact CB-CB 4.21Å; R19-P21 HydrophobicContact CB-CG 4.43Å; R19-P21 WeakPolarHBondContact O-CD 3.01Å; R19-P21 WeakPolarHBondContact O-CG 3.33Å
20	T	39	Very low	54.7	Low	139 Å²	139	116.8 Å²	116.8	85%	0.853	64%	0.64	S	S	*	*			trans	-69	93.8	154.9	35.4	0	0	0	0	106.2	Q22	T20-Q22 PolarHBondContact O-N 3.11Å
21	P	41.9	Very low	57.3	Low	103 Å²	103	108.4 Å²	108.4	67%	0.669	60%	0.603	S	S	*	*			trans	-105.3	70.7	-163.5	32.2	-11.7	0	0	0	108.3	R19	R19-P21 HydrophobicContact CB-CB 4.21Å; R19-P21 HydrophobicContact CB-CG 4.43Å; R19-P21 WeakPolarHBondContact O-CD 3.01Å; R19-P21 WeakPolarHBondContact O-CG 3.33Å
22	Q	44.7	Very low	59.6	Low	173 Å²	173	104.3 Å²	104.3	81%	0.808	59%	0.585	S	S	*	*			trans	-158.8	59.4	156.6	-115.6	154.9	-5.9	0	0	108.8	T20 F24	T20-Q22 PolarHBondContact O-N 3.11Å; Q22-F24 VanDerWaalsContact C-N 3.3Å; Q22-F24 PolarHBondContact O-N 2.81Å
23	C	52.2	Low	62.1	Low	112 Å²	112	99.1 Å²	99.1	76%	0.757	55%	0.553	S	S	*	*	S	Bend	trans	-49.3	112.9	139.2	-178.3	0	0	0	0	104.3	Q25	C23-Q25 PolarHBondContact O-N 3Å
24	F	53.4	Low	64.8	Low	187 Å²	187	97.4 Å²	97.4	82%	0.82	55%	0.548	S	S	*	.			trans	-45.4	96.4	178.6	-78.6	-94.1	0	0	0	107.4	Q22 T26	Q22-F24 VanDerWaalsContact C-N 3.3Å; Q22-F24 PolarHBondContact O-N 2.81Å; F24-T26 PolarHBondContact O-N 2.91Å
25	Q	57	Low	67	Low	167 Å²	167	95.2 Å²	95.2	78%	0.78	54%	0.535	S	S	*	.			trans	-65.5	117.8	-178.2	-91.5	177.3	-32.2	0	0	104.1	C23 V27	C23-Q25 PolarHBondContact O-N 3Å; Q25-V27 VanDerWaalsContact C-N 3.32Å; Q25-V27 PolarHBondContact O-N 3.1Å
26	T	65.8	Low	69.7	Low	68 Å²	68	91.4 Å²	91.4	42%	0.417	53%	0.53	S	S	.	.			trans	-53.9	106.2	167.6	-55.7	0	0	0	0	105.8	F24 F28 T45	F24-T26 PolarHBondContact O-N 2.91Å; T26-F28 HydrophobicContact CG2-CD1 4.24Å; T26-F28 HydrophobicContact CG2-CD2 4.01Å; T26-F28 HydrophobicContact CG2-CE1 3.68Å; T26-F28 HydrophobicContact CG2-CE2 3.43Å; T26-F28 VanDerWaalsContact CG2-CE2 3.43Å; T26-F28 HydrophobicContact CG2-CG 4.4Å; T26-F28 HydrophobicContact CG2-CZ 3.25Å; T26-F28 WeakPolarHBondContact O-CD2 3.41Å; T26-F28 WeakPolarHBondContact O-CE2 3.35Å; T26-F28 PolarHBondContact O-N 2.99Å; T26-T45 HydrophobicContact CG2-CG2 3.82Å
27	V	71.3	Confident	72.3	Confident	68 Å²	68	92.6 Å²	92.6	41%	0.412	53%	0.526	S	S	.	.			trans	-76.8	123.3	174.2	178.2	0	0	0	0	105.7	Q25 K46	Q25-V27 VanDerWaalsContact C-N 3.32Å; Q25-V27 PolarHBondContact O-N 3.1Å; V27-K46 HydrophobicContact CB-CB 4.32Å; V27-K46 HydrophobicContact CB-CD 4.43Å; V27-K46 PolarHBondContact O-N 3.37Å; V27-K46 VanDerWaalsContact O-N 3.1Å
28	F	87.3	Confident	74.9	Confident	55 Å²	55	89.3 Å²	89.3	24%	0.241	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.4	175.5	-69	-78.5	0	0	0	107.2	T26 F44 T45 W175 A177	T26-F28 HydrophobicContact CG2-CD1 4.24Å; T26-F28 HydrophobicContact CG2-CD2 4.01Å; T26-F28 HydrophobicContact CG2-CE1 3.68Å; T26-F28 HydrophobicContact CG2-CE2 3.43Å; T26-F28 VanDerWaalsContact CG2-CE2 3.43Å; T26-F28 HydrophobicContact CG2-CG 4.4Å; T26-F28 HydrophobicContact CG2-CZ 3.25Å; T26-F28 WeakPolarHBondContact O-CD2 3.41Å; T26-F28 WeakPolarHBondContact O-CE2 3.35Å; T26-F28 PolarHBondContact O-N 2.99Å; F28-F44 WeakPolarHBondContact CA-O 3.37Å; F28-T45 HydrophobicContact CD1-CG2 4.01Å; F28-T45 HydrophobicContact CE1-CG2 3.56Å; F28-T45 HydrophobicContact CZ-CG2 4.4Å; F28-W175 HydrophobicContact CB-CB 4.04Å; F28-W175 HydrophobicContact CB-CD2 4.31Å; F28-W175 HydrophobicContact CB-CE3 3.66Å; F28-W175 HydrophobicContact CB-CZ3 4.4Å; F28-W175 AromaticContact CD1-CE3 3.76Å; F28-W175 HydrophobicContact CD1-CE3 3.76Å; F28-W175 AromaticContact CD1-CZ3 3.66Å; F28-W175 HydrophobicContact CD1-CZ3 3.66Å; F28-W175 HydrophobicContact CE1-CZ3 4.22Å; F28-W175 AromaticContact CG-CE3 3.98Å; F28-W175 HydrophobicContact CG-CE3 3.98Å; F28-W175 HydrophobicContact CG-CZ3 4.24Å; F28-W175 PolarHBondContact O-N 3.15Å; F28-A177 HydrophobicContact CD1-CB 4.33Å; F28-A177 HydrophobicContact CD2-CB 3.55Å; F28-A177 HydrophobicContact CE1-CB 4.36Å; F28-A177 HydrophobicContact CE2-CB 3.6Å; F28-A177 HydrophobicContact CG-CB 3.92Å; F28-A177 HydrophobicContact CZ-CB 4.01Å
29	S	95.3	Very high	77.7	Confident	4 Å²	4	88.6 Å²	88.6	3%	0.028	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	162.2	169.3	47.2	0	0	0	0	111.3	F44 G173	S29-F44 PolarHBondContact N-O 2.9Å; S29-F44 PolarHBondContact O-N 2.86Å; S29-F44 WeakPolarHBondContact OG-CB 3.35Å; S29-G173 CarbonylContact C-O 3.52Å; S29-G173 WeakPolarHBondContact CA-O 3.31Å; S29-G173 WeakPolarHBondContact CB-O 3.44Å
30	I	97.4	Very high	80.4	Confident	29 Å²	29	79.2 Å²	79.2	15%	0.149	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	136.6	-172.7	-174.7	173.6	0	0	0	109.7	T41 V42 Y43 V172 G173 W175	I30-T41 HydrophobicContact CD1-CG2 3.46Å; I30-T41 VanDerWaalsContact CD1-CG2 3.46Å; I30-T41 HydrophobicContact CG1-CG2 3.45Å; I30-T41 VanDerWaalsContact CG1-CG2 3.45Å; I30-V42 CarbonylContact C-O 3.59Å; I30-V42 VanDerWaalsContact CA-O 3.3Å; I30-V42 WeakPolarHBondContact CA-O 3.47Å; I30-Y43 HydrophobicContact CD1-CD1 4.3Å; I30-Y43 HydrophobicContact CD1-CE1 3.78Å; I30-Y43 HydrophobicContact CG1-CD1 4.24Å; I30-Y43 HydrophobicContact CG1-CE1 4.19Å; I30-V172 CarbonylContact O-C 3.48Å; I30-V172 WeakPolarHBondContact O-CA 3.42Å; I30-G173 PolarHBondContact N-O 3.29Å; I30-G173 PolarHBondContact O-N 3.47Å; I30-W175 HydrophobicContact CB-CB 3.83Å; I30-W175 HydrophobicContact CB-CG 4.16Å; I30-W175 HydrophobicContact CG2-CB 3.76Å; I30-W175 HydrophobicContact CG2-CG 4.29Å
31	A	98.5	Very high	83.2	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115.9	166	0	0	0	0	0	108.8	F33 T41 V42 F44 M140 A170 V171 V172	A31-F33 HydrophobicContact CB-CE2 4.24Å; A31-T41 WeakPolarHBondContact O-CA 3.44Å; A31-V42 HydrophobicContact CB-CB 4.43Å; A31-V42 PolarHBondContact N-O 2.76Å; A31-V42 PolarHBondContact O-N 3.35Å; A31-F44 HydrophobicContact CB-CE2 3.82Å; A31-F44 HydrophobicContact CB-CZ 4.44Å; A31-M140 HydrophobicContact CB-CB 4.28Å; A31-M140 HydrophobicContact CB-SD 4.31Å; A31-A170 HydrophobicContact CB-CB 3.94Å; A31-V171 WeakPolarHBondContact CA-O 3.4Å; A31-V172 HydrophobicContact CB-CG2 4.28Å
32	T	98.4	Very high	85.9	Confident	63 Å²	63	69.4 Å²	69.4	39%	0.387	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.5	-177.5	-51.6	0	0	0	0	109.9	V34 A170	T32-V34 HydrophobicContact CG2-CG1 3.85Å; T32-A170 VanDerWaalsContact O-CB 3.27Å; T32-A170 WeakPolarHBondContact O-CB 3.38Å
33	F	98.8	Very high	88.4	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.009	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.3	178.6	-65.5	-96.6	0	0	0	109.2	A31 S39 G40 V42 V57 M140 I142 T168 A170	A31-F33 HydrophobicContact CB-CE2 4.24Å; F33-S39 VanDerWaalsContact O-CA 3.32Å; F33-S39 WeakPolarHBondContact O-CA 3.31Å; F33-G40 PolarHBondContact N-O 2.75Å; F33-G40 PolarHBondContact O-N 2.82Å; F33-G40 VanDerWaalsContact O-N 3.1Å; F33-V42 HydrophobicContact CD2-CG2 4.46Å; F33-V42 HydrophobicContact CE2-CG2 3.87Å; F33-V57 HydrophobicContact CB-CG1 4.33Å; F33-V57 HydrophobicContact CB-CG2 4.38Å; F33-V57 HydrophobicContact CD2-CG2 3.4Å; F33-V57 HydrophobicContact CE2-CG2 3.72Å; F33-V57 HydrophobicContact CG-CG1 4.31Å; F33-V57 HydrophobicContact CG-CG2 3.87Å; F33-V57 HydrophobicContact CZ-CG2 4.4Å; F33-M140 HydrophobicContact CE2-SD 4.08Å; F33-M140 HydrophobicContact CZ-CB 4.19Å; F33-M140 HydrophobicContact CZ-CG 3.99Å; F33-M140 HydrophobicContact CZ-SD 3.96Å; F33-I142 HydrophobicContact CE1-CD1 4.04Å; F33-I142 HydrophobicContact CE1-CG1 4.19Å; F33-I142 HydrophobicContact CZ-CD1 4.08Å; F33-I142 HydrophobicContact CZ-CG1 4.26Å; F33-T168 HydrophobicContact CD1-CG2 3.46Å; F33-T168 VanDerWaalsContact CD1-CG2 3.46Å; F33-T168 HydrophobicContact CE1-CG2 3.76Å; F33-T168 HydrophobicContact CG-CG2 4.49Å; F33-A170 HydrophobicContact CD1-CB 3.88Å; F33-A170 HydrophobicContact CD2-CB 3.91Å; F33-A170 HydrophobicContact CE1-CB 3.92Å; F33-A170 HydrophobicContact CE2-CB 3.93Å; F33-A170 HydrophobicContact CG-CB 3.9Å; F33-A170 HydrophobicContact CZ-CB 3.95Å
34	V	98	Very high	90.5	Very high	108 Å²	108	59.6 Å²	59.6	66%	0.655	33%	0.329	S	S	*	.			trans	-135.2	1.6	-172.6	-61.1	0	0	0	0	114.2	T32 P36	T32-V34 HydrophobicContact CG2-CG1 3.85Å; V34-P36 WeakPolarHBondContact O-CD 3.36Å
35	T	97.3	Very high	92.4	Very high	73 Å²	73	51.8 Å²	51.8	45%	0.448	30%	0.297	S	S	.	.	S	Bend	trans	-85.8	113.3	-178.1	-56.9	0	0	0	0	110.2	Y38	T35-Y38 CarbonylContact C-O 3.44Å; T35-Y38 PolarHBondContact N-O 2.86Å; T35-Y38 CarbonylContact O-C 3.51Å; T35-Y38 VanDerWaalsContact O-CA 3.32Å; T35-Y38 WeakPolarHBondContact O-CA 3.48Å; T35-Y38 VanDerWaalsContact O-CB 3.27Å; T35-Y38 WeakPolarHBondContact O-CB 3.34Å; T35-Y38 VanDerWaalsContact O-CD2 3.25Å; T35-Y38 WeakPolarHBondContact O-CD2 3.43Å; T35-Y38 PolarHBondContact O-N 3Å
36	P	97.7	Very high	94	Very high	112 Å²	112	46.3 Å²	46.3	73%	0.727	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	144.3	-180	-25.4	35.6	0	0	0	112.9	V34	V34-P36 WeakPolarHBondContact O-CD 3.36Å
37	P	98	Very high	95.2	Very high	87 Å²	87	48.4 Å²	48.4	57%	0.565	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	cis	-79.7	5.2	1.2	35.2	-38	0	0	0	114.1
38	Y	98.7	Very high	96	Very high	35 Å²	35	48 Å²	48	14%	0.137	29%	0.285	C	S	.	.			trans	-87	131.6	-171.2	-41.7	-70.6	0	0	0	112	T35 S58 G59 L60 L167 T168	T35-Y38 CarbonylContact C-O 3.44Å; T35-Y38 PolarHBondContact N-O 2.86Å; T35-Y38 CarbonylContact O-C 3.51Å; T35-Y38 VanDerWaalsContact O-CA 3.32Å; T35-Y38 WeakPolarHBondContact O-CA 3.48Å; T35-Y38 VanDerWaalsContact O-CB 3.27Å; T35-Y38 WeakPolarHBondContact O-CB 3.34Å; T35-Y38 VanDerWaalsContact O-CD2 3.25Å; T35-Y38 WeakPolarHBondContact O-CD2 3.43Å; T35-Y38 PolarHBondContact O-N 3Å; Y38-S58 VanDerWaalsContact CA-O 3.31Å; Y38-S58 WeakPolarHBondContact CA-O 3.5Å; Y38-G59 WeakPolarHBondContact CD1-O 3.27Å; Y38-G59 WeakPolarHBondContact CE1-O 3.32Å; Y38-L60 HydrophobicContact CD1-CD2 3.7Å; Y38-L60 HydrophobicContact CD1-CG 4.2Å; Y38-L60 HydrophobicContact CE1-CD2 3.82Å; Y38-L167 HydrophobicContact CE1-CB 4.35Å; Y38-L167 HydrophobicContact CE2-CB 4.43Å; Y38-L167 WeakPolarHBondContact CE2-O 3.29Å; Y38-T168 HydrophobicContact CD1-CG2 4.46Å; Y38-T168 VanDerWaalsContact CD2-CB 3.49Å; Y38-T168 HydrophobicContact CD2-CG2 4.22Å; Y38-T168 HydrophobicContact CG-CG2 3.95Å
39	S	98.5	Very high	96.1	Very high	61 Å²	61	48.4 Å²	48.4	43%	0.427	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	143.1	172.7	66	0	0	0	0	111.6	F33 S58	F33-S39 VanDerWaalsContact O-CA 3.32Å; F33-S39 WeakPolarHBondContact O-CA 3.31Å; S39-S58 PolarHBondContact N-O 3.44Å; S39-S58 PolarHBondContact O-N 2.73Å; S39-S58 PolarHBondContact O-OG 2.89Å; S39-S58 PolarHBondContact OG-OG 2.87Å; S39-S58 VanDerWaalsContact OG-OG 3.05Å
40	G	98.7	Very high	96	Very high	18 Å²	18	51.2 Å²	51.2	19%	0.186	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.7	-178.3	179.1	0	0	0	0	0	113.6	F33 S56	F33-G40 PolarHBondContact N-O 2.75Å; F33-G40 PolarHBondContact O-N 2.82Å; F33-G40 VanDerWaalsContact O-N 3.1Å; G40-S56 CarbonylContact C-O 3.52Å; G40-S56 WeakPolarHBondContact CA-O 3.34Å
41	T	98.4	Very high	95.9	Very high	35 Å²	35	50.2 Å²	50.2	22%	0.215	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	137.1	-177.5	-58	0	0	0	0	109.5	I30 A31 Y43 G55 S56	I30-T41 HydrophobicContact CD1-CG2 3.46Å; I30-T41 VanDerWaalsContact CD1-CG2 3.46Å; I30-T41 HydrophobicContact CG1-CG2 3.45Å; I30-T41 VanDerWaalsContact CG1-CG2 3.45Å; A31-T41 WeakPolarHBondContact O-CA 3.44Å; T41-Y43 HydrophobicContact CG2-CD1 4.42Å; T41-Y43 HydrophobicContact CG2-CD2 4.27Å; T41-Y43 HydrophobicContact CG2-CE1 3.87Å; T41-Y43 HydrophobicContact CG2-CE2 3.69Å; T41-Y43 VanDerWaalsContact CG2-CZ 3.47Å; T41-G55 WeakPolarHBondContact O-CA 3.32Å; T41-S56 PolarHBondContact N-O 2.79Å; T41-S56 PolarHBondContact O-N 2.71Å
42	V	98.6	Very high	95.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.5	174.8	-177.3	0	0	0	0	108.2	I30 A31 F33 F44 V53 T54 V57 F120 M140	I30-V42 CarbonylContact C-O 3.59Å; I30-V42 VanDerWaalsContact CA-O 3.3Å; I30-V42 WeakPolarHBondContact CA-O 3.47Å; A31-V42 HydrophobicContact CB-CB 4.43Å; A31-V42 PolarHBondContact N-O 2.76Å; A31-V42 PolarHBondContact O-N 3.35Å; F33-V42 HydrophobicContact CD2-CG2 4.46Å; F33-V42 HydrophobicContact CE2-CG2 3.87Å; V42-F44 HydrophobicContact CB-CE2 4.34Å; V42-F44 HydrophobicContact CG1-CE2 3.97Å; V42-F44 HydrophobicContact CG1-CZ 4.02Å; V42-V53 HydrophobicContact CG1-CG1 3.43Å; V42-V53 VanDerWaalsContact CG1-CG1 3.43Å; V42-T54 CarbonylContact C-O 3.44Å; V42-T54 WeakPolarHBondContact CA-O 3.18Å; V42-V57 HydrophobicContact CG2-CG2 4.18Å; V42-F120 HydrophobicContact CG1-CD2 4.33Å; V42-F120 HydrophobicContact CG2-CD2 3.45Å; V42-F120 VanDerWaalsContact CG2-CD2 3.45Å; V42-F120 HydrophobicContact CG2-CE2 3.5Å; V42-F120 VanDerWaalsContact CG2-CE2 3.5Å; V42-F120 HydrophobicContact CG2-CG 4.39Å; V42-F120 HydrophobicContact CG2-CZ 4.48Å; V42-M140 HydrophobicContact CB-SD 4.06Å; V42-M140 HydrophobicContact CG1-CE 4.17Å; V42-M140 HydrophobicContact CG1-SD 3.98Å; V42-M140 HydrophobicContact CG2-CE 4.15Å; V42-M140 HydrophobicContact CG2-SD 4.05Å
43	Y	96.9	Very high	95.7	Very high	79 Å²	79	50.7 Å²	50.7	31%	0.31	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	143.4	178.5	-57.5	-85.3	0	0	0	110	I30 T41 V53 T54 W175	I30-Y43 HydrophobicContact CD1-CD1 4.3Å; I30-Y43 HydrophobicContact CD1-CE1 3.78Å; I30-Y43 HydrophobicContact CG1-CD1 4.24Å; I30-Y43 HydrophobicContact CG1-CE1 4.19Å; T41-Y43 HydrophobicContact CG2-CD1 4.42Å; T41-Y43 HydrophobicContact CG2-CD2 4.27Å; T41-Y43 HydrophobicContact CG2-CE1 3.87Å; T41-Y43 HydrophobicContact CG2-CE2 3.69Å; T41-Y43 VanDerWaalsContact CG2-CZ 3.47Å; Y43-V53 CarbonylContact O-C 3.51Å; Y43-V53 WeakPolarHBondContact O-CA 3.22Å; Y43-T54 PolarHBondContact N-O 3.03Å; Y43-T54 PolarHBondContact O-N 2.61Å; Y43-W175 AromaticContact CD1-CD2 3.89Å; Y43-W175 HydrophobicContact CD1-CD2 3.89Å; Y43-W175 AromaticContact CD1-CE3 3.76Å; Y43-W175 HydrophobicContact CD1-CE3 3.76Å; Y43-W175 HydrophobicContact CD1-CH2 4.37Å; Y43-W175 HydrophobicContact CD1-CZ2 4.41Å; Y43-W175 HydrophobicContact CD1-CZ3 4.05Å; Y43-W175 HydrophobicContact CE1-CD2 4.09Å; Y43-W175 AromaticContact CE1-CE2 3.9Å; Y43-W175 HydrophobicContact CE1-CE3 4.34Å; Y43-W175 HydrophobicContact CE1-CH2 4.44Å; Y43-W175 HydrophobicContact CE1-CZ2 4.11Å
44	F	96.1	Very high	95.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	113.5	179.4	-61.2	-96.5	0	0	0	107.3	F28 S29 A31 V42 L51 R52 V53 F107 F135 M140 V172	F28-F44 WeakPolarHBondContact CA-O 3.37Å; S29-F44 PolarHBondContact N-O 2.9Å; S29-F44 PolarHBondContact O-N 2.86Å; S29-F44 WeakPolarHBondContact OG-CB 3.35Å; A31-F44 HydrophobicContact CB-CE2 3.82Å; A31-F44 HydrophobicContact CB-CZ 4.44Å; V42-F44 HydrophobicContact CB-CE2 4.34Å; V42-F44 HydrophobicContact CG1-CE2 3.97Å; V42-F44 HydrophobicContact CG1-CZ 4.02Å; F44-L51 HydrophobicContact CB-CD1 3.99Å; F44-L51 HydrophobicContact CB-CD2 3.89Å; F44-L51 HydrophobicContact CB-CG 3.91Å; F44-L51 HydrophobicContact CD1-CD2 3.53Å; F44-L51 HydrophobicContact CD1-CG 4.19Å; F44-L51 HydrophobicContact CG-CD2 4.14Å; F44-R52 CarbonylContact C-O 3.51Å; F44-R52 WeakPolarHBondContact CA-O 3.27Å; F44-V53 HydrophobicContact CD1-CG1 4.24Å; F44-V53 HydrophobicContact CD1-CG2 3.77Å; F44-V53 HydrophobicContact CE1-CG1 3.98Å; F44-V53 HydrophobicContact CE1-CG2 3.98Å; F44-V53 HydrophobicContact CZ-CG1 4.46Å; F44-F107 HydrophobicContact CE1-CE2 4.03Å; F44-F107 HydrophobicContact CE1-CZ 4.13Å; F44-F135 HydrophobicContact CE1-CD2 4.47Å; F44-M140 HydrophobicContact CZ-SD 3.83Å; F44-V172 HydrophobicContact CD2-CG1 4.07Å; F44-V172 HydrophobicContact CE2-CG1 4.03Å; F44-V172 HydrophobicContact CE2-CG2 4Å; F44-V172 HydrophobicContact CZ-CG1 4.47Å; F44-V172 HydrophobicContact CZ-CG2 3.93Å
45	T	93.8	Very high	95.7	Very high	23 Å²	23	48.5 Å²	48.5	14%	0.141	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.9	-177.5	-57.4	0	0	0	0	109.8	T26 F28 H47 R52	T26-T45 HydrophobicContact CG2-CG2 3.82Å; F28-T45 HydrophobicContact CD1-CG2 4.01Å; F28-T45 HydrophobicContact CE1-CG2 3.56Å; F28-T45 HydrophobicContact CZ-CG2 4.4Å; T45-H47 WeakPolarHBondContact CG2-NE2 3.46Å; T45-H47 PolarHBondContact O-CD2 3.44Å; T45-H47 PolarHBondContact O-N 2.83Å; T45-R52 PolarHBondContact N-O 3.46Å; T45-R52 PolarHBondContact O-N 3.27Å
46	K	91.3	Very high	95.8	Very high	53 Å²	53	47.3 Å²	47.3	23%	0.23	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	122.7	-179.4	-174.3	174.3	-179.1	176	0	111.7	V27 G48 N50 L51 I126	V27-K46 HydrophobicContact CB-CB 4.32Å; V27-K46 HydrophobicContact CB-CD 4.43Å; V27-K46 PolarHBondContact O-N 3.37Å; V27-K46 VanDerWaalsContact O-N 3.1Å; K46-G48 WeakPolarHBondContact CE-O 3.27Å; K46-N50 WeakPolarHBondContact CA-O 3.43Å; K46-L51 HydrophobicContact CB-CD1 4.11Å; K46-I126 HydrophobicContact CD-CD1 4.17Å; K46-I126 HydrophobicContact CG-CD1 4.18Å
47	H	90	Very high	95.8	Very high	112 Å²	112	42 Å²	42	52%	0.519	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	93.5	171.1	-65.7	-77.3	0	0	0	109.8	T45 S49 N50	T45-H47 WeakPolarHBondContact CG2-NE2 3.46Å; T45-H47 PolarHBondContact O-CD2 3.44Å; T45-H47 PolarHBondContact O-N 2.83Å; H47-S49 PolarHBondContact O-N 3.02Å; H47-S49 VanDerWaalsContact O-N 3.17Å; H47-N50 CarbonylContact C-O 3.5Å; H47-N50 PolarHBondContact N-O 2.84Å; H47-N50 PolarHBondContact O-N 3.02Å
48	G	88.4	Confident	95.9	Very high	59 Å²	59	39.7 Å²	39.7	61%	0.608	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	-116.9	-176.7	0	0	0	0	0	111.8	K46	K46-G48 WeakPolarHBondContact CE-O 3.27Å
49	S	90.1	Very high	95.9	Very high	64 Å²	64	39.7 Å²	39.7	45%	0.448	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.9	175.5	56.9	0	0	0	0	114	H47 I126 S127	H47-S49 PolarHBondContact O-N 3.02Å; H47-S49 VanDerWaalsContact O-N 3.17Å; S49-I126 WeakPolarHBondContact O-CG1 3.31Å; S49-I126 PolarHBondContact O-N 2.95Å; S49-S127 PolarHBondContact O-N 2.75Å
50	N	92.9	Very high	95.9	Very high	62 Å²	62	37 Å²	37	33%	0.332	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	156.7	-179.9	-65.9	-14.4	0	0	0	111.3	K46 H47 V124	K46-N50 WeakPolarHBondContact CA-O 3.43Å; H47-N50 CarbonylContact C-O 3.5Å; H47-N50 PolarHBondContact N-O 2.84Å; H47-N50 PolarHBondContact O-N 3.02Å; N50-V124 CarbonylContact C-O 3.56Å; N50-V124 VanDerWaalsContact CA-O 3.3Å; N50-V124 WeakPolarHBondContact CA-O 3.37Å
51	L	94.1	Very high	95.8	Very high	8 Å²	8	38 Å²	38	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	113.5	172.1	-164.7	71.8	0	0	0	108	F44 K46 D123 V124 I126 F135	F44-L51 HydrophobicContact CB-CD1 3.99Å; F44-L51 HydrophobicContact CB-CD2 3.89Å; F44-L51 HydrophobicContact CB-CG 3.91Å; F44-L51 HydrophobicContact CD1-CD2 3.53Å; F44-L51 HydrophobicContact CD1-CG 4.19Å; F44-L51 HydrophobicContact CG-CD2 4.14Å; K46-L51 HydrophobicContact CB-CD1 4.11Å; L51-D123 WeakPolarHBondContact O-CA 3.33Å; L51-V124 HydrophobicContact CB-CB 4.49Å; L51-V124 PolarHBondContact N-O 3.14Å; L51-V124 PolarHBondContact O-N 3.15Å; L51-I126 HydrophobicContact CB-CD1 4.32Å; L51-I126 HydrophobicContact CB-CG1 4.5Å; L51-I126 HydrophobicContact CB-CG2 3.76Å; L51-I126 HydrophobicContact CD1-CD1 4.49Å; L51-I126 HydrophobicContact CD2-CG2 4.26Å; L51-F135 HydrophobicContact CD2-CD2 3.53Å; L51-F135 HydrophobicContact CD2-CE2 3.83Å
52	R	96.3	Very high	95.8	Very high	73 Å²	73	39.6 Å²	39.6	28%	0.275	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	120.5	173.1	-175.6	69.9	178.8	-164.8	-6.5	108.7	F44 T45 T54 D121 D123	F44-R52 CarbonylContact C-O 3.51Å; F44-R52 WeakPolarHBondContact CA-O 3.27Å; T45-R52 PolarHBondContact N-O 3.46Å; T45-R52 PolarHBondContact O-N 3.27Å; R52-T54 HydrophobicContact CG-CG2 3.89Å; R52-D121 IonicContact CZ-OD1 3.68Å; R52-D121 IonicContact NE-OD1 3.61Å; R52-D121 PolarHBondContact NE-OD1 3.12Å; R52-D121 IonicContact NH2-OD1 2.99Å; R52-D121 PolarHBondContact NH2-OD1 3Å; R52-D121 IonicContact NH2-OD2 3.91Å; R52-D121 PolarHBondContact NH2-OD2 3.15Å; R52-D123 WeakPolarHBondContact CA-OD1 3.47Å; R52-D123 WeakPolarHBondContact CB-OD1 3.31Å; R52-D123 WeakPolarHBondContact CD-OD1 3.48Å; R52-D123 IonicContact CZ-OD2 3.3Å; R52-D123 IonicContact NH1-OD2 3.89Å; R52-D123 PolarHBondContact NH1-OD2 3.03Å
53	V	97.9	Very high	95.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118	179.6	-172	0	0	0	0	108.7	V42 Y43 F44 F120 D121 F122 V124	V42-V53 HydrophobicContact CG1-CG1 3.43Å; V42-V53 VanDerWaalsContact CG1-CG1 3.43Å; Y43-V53 CarbonylContact O-C 3.51Å; Y43-V53 WeakPolarHBondContact O-CA 3.22Å; F44-V53 HydrophobicContact CD1-CG1 4.24Å; F44-V53 HydrophobicContact CD1-CG2 3.77Å; F44-V53 HydrophobicContact CE1-CG1 3.98Å; F44-V53 HydrophobicContact CE1-CG2 3.98Å; F44-V53 HydrophobicContact CZ-CG1 4.46Å; V53-F120 HydrophobicContact CG1-CB 4.38Å; V53-D121 VanDerWaalsContact O-CA 3.31Å; V53-D121 WeakPolarHBondContact O-CA 3.48Å; V53-F122 HydrophobicContact CB-CD1 4.04Å; V53-F122 HydrophobicContact CB-CD2 4.47Å; V53-F122 HydrophobicContact CB-CE1 3.58Å; V53-F122 HydrophobicContact CB-CE2 4.1Å; V53-F122 HydrophobicContact CB-CG 4.46Å; V53-F122 HydrophobicContact CB-CZ 3.64Å; V53-F122 HydrophobicContact CG1-CD1 4.43Å; V53-F122 HydrophobicContact CG1-CE1 3.58Å; V53-F122 HydrophobicContact CG1-CZ 3.7Å; V53-F122 HydrophobicContact CG2-CE1 4.33Å; V53-F122 HydrophobicContact CG2-CE2 3.99Å; V53-F122 HydrophobicContact CG2-CZ 3.88Å; V53-F122 PolarHBondContact N-O 2.93Å; V53-F122 PolarHBondContact O-N 2.94Å; V53-V124 HydrophobicContact CG2-CG2 3.85Å
54	T	98	Very high	95.9	Very high	40 Å²	40	46.4 Å²	46.4	25%	0.245	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154.6	-177.2	57.3	0	0	0	0	111.9	V42 Y43 R52 F120 D121	V42-T54 CarbonylContact C-O 3.44Å; V42-T54 WeakPolarHBondContact CA-O 3.18Å; Y43-T54 PolarHBondContact N-O 3.03Å; Y43-T54 PolarHBondContact O-N 2.61Å; R52-T54 HydrophobicContact CG-CG2 3.89Å; T54-F120 CarbonylContact C-O 3.57Å; T54-F120 VanDerWaalsContact CA-O 3.27Å; T54-F120 WeakPolarHBondContact CA-O 3.26Å; T54-D121 WeakPolarHBondContact CG2-OD1 3.37Å
55	G	98.3	Very high	96	Very high	25 Å²	25	49.2 Å²	49.2	26%	0.258	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	132.1	-160.8	172.3	0	0	0	0	0	112.3	T41 N119 F120	T41-G55 WeakPolarHBondContact O-CA 3.32Å; G55-N119 WeakPolarHBondContact O-CA 3.34Å; G55-F120 PolarHBondContact N-O 2.82Å; G55-F120 VanDerWaalsContact N-O 3.11Å; G55-F120 PolarHBondContact O-N 2.94Å
56	S	98.7	Very high	96.2	Very high	48 Å²	48	48.1 Å²	48.1	34%	0.336	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	148.6	-174.9	63.3	0	0	0	0	112.7	G40 T41 L118 N119	G40-S56 CarbonylContact C-O 3.52Å; G40-S56 WeakPolarHBondContact CA-O 3.34Å; T41-S56 PolarHBondContact N-O 2.79Å; T41-S56 PolarHBondContact O-N 2.71Å; S56-L118 CarbonylContact C-O 3.55Å; S56-L118 WeakPolarHBondContact CA-O 3.31Å; S56-N119 VanDerWaalsContact CB-OD1 3.31Å; S56-N119 WeakPolarHBondContact CB-OD1 3.48Å
57	V	98.9	Very high	96.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.1	170.9	-179.8	0	0	0	0	109.4	F33 V42 L60 V117 L118 F120 I142	F33-V57 HydrophobicContact CB-CG1 4.33Å; F33-V57 HydrophobicContact CB-CG2 4.38Å; F33-V57 HydrophobicContact CD2-CG2 3.4Å; F33-V57 HydrophobicContact CE2-CG2 3.72Å; F33-V57 HydrophobicContact CG-CG1 4.31Å; F33-V57 HydrophobicContact CG-CG2 3.87Å; F33-V57 HydrophobicContact CZ-CG2 4.4Å; V42-V57 HydrophobicContact CG2-CG2 4.18Å; V57-L60 HydrophobicContact CB-CD1 4.15Å; V57-L60 HydrophobicContact CG1-CD1 4.02Å; V57-L60 HydrophobicContact CG1-CG 4.3Å; V57-V117 WeakPolarHBondContact O-CA 3.33Å; V57-L118 PolarHBondContact N-O 2.84Å; V57-L118 PolarHBondContact O-N 3.06Å; V57-F120 HydrophobicContact CG2-CE2 4Å; V57-I142 HydrophobicContact CB-CD1 4.04Å; V57-I142 HydrophobicContact CG1-CD1 4.05Å; V57-I142 HydrophobicContact CG2-CD1 4Å
58	S	98.7	Very high	97	Very high	39 Å²	39	40.3 Å²	40.3	27%	0.273	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	168.9	-177.7	68.8	0	0	0	0	111.9	Y38 S39 L60 G116	Y38-S58 VanDerWaalsContact CA-O 3.31Å; Y38-S58 WeakPolarHBondContact CA-O 3.5Å; S39-S58 PolarHBondContact N-O 3.44Å; S39-S58 PolarHBondContact O-N 2.73Å; S39-S58 PolarHBondContact O-OG 2.89Å; S39-S58 PolarHBondContact OG-OG 2.87Å; S39-S58 VanDerWaalsContact OG-OG 3.05Å; S58-L60 VanDerWaalsContact C-N 3.29Å; S58-G116 CarbonylContact C-O 3.42Å; S58-G116 WeakPolarHBondContact CA-O 3.37Å
59	G	98.6	Very high	97.5	Very high	35 Å²	35	37.5 Å²	37.5	36%	0.361	22%	0.217	S	C	.	.	S	Bend	trans	80.6	7.8	-179.6	0	0	0	0	0	114.2	Y38 G116	Y38-G59 WeakPolarHBondContact CD1-O 3.27Å; Y38-G59 WeakPolarHBondContact CE1-O 3.32Å; G59-G116 PolarHBondContact N-O 2.84Å
60	L	98.7	Very high	97.9	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.026	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-80.8	153.2	179.8	-67.4	165.2	0	0	0	111.1	Y38 V57 S58 L66 V112 G116 L118 I142 L167	Y38-L60 HydrophobicContact CD1-CD2 3.7Å; Y38-L60 HydrophobicContact CD1-CG 4.2Å; Y38-L60 HydrophobicContact CE1-CD2 3.82Å; V57-L60 HydrophobicContact CB-CD1 4.15Å; V57-L60 HydrophobicContact CG1-CD1 4.02Å; V57-L60 HydrophobicContact CG1-CG 4.3Å; S58-L60 VanDerWaalsContact C-N 3.29Å; L60-L66 HydrophobicContact CB-CD1 4.39Å; L60-L66 HydrophobicContact CD1-CD1 4.41Å; L60-L66 HydrophobicContact CD2-CD1 4.11Å; L60-V112 HydrophobicContact CB-CG1 3.8Å; L60-V112 HydrophobicContact CB-CG2 4.16Å; L60-V112 HydrophobicContact CD1-CG2 4.41Å; L60-G116 PolarHBondContact N-O 2.76Å; L60-G116 WeakPolarHBondContact O-CA 3.46Å; L60-L118 HydrophobicContact CD1-CB 3.42Å; L60-L118 VanDerWaalsContact CD1-CB 3.42Å; L60-L118 HydrophobicContact CD1-CD1 3.82Å; L60-L118 HydrophobicContact CD1-CG 4.28Å; L60-I142 HydrophobicContact CD1-CD1 4.26Å; L60-I142 HydrophobicContact CD1-CG2 4.5Å; L60-I142 HydrophobicContact CD2-CG2 4.02Å; L60-L167 HydrophobicContact CD2-CB 4.49Å; L60-L167 HydrophobicContact CD2-CD1 3.89Å
61	P	98.2	Very high	98.2	Very high	38 Å²	38	31.6 Å²	31.6	25%	0.247	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-57.3	125.8	173.4	-27.7	37.5	0	0	0	111.6	K64 V112 L167	P61-K64 HydrophobicContact CB-CD 3.82Å; P61-K64 WeakPolarHBondContact O-CG 3.25Å; P61-V112 WeakPolarHBondContact O-CB 3.24Å; P61-V112 WeakPolarHBondContact O-CG1 3.35Å; P61-L167 HydrophobicContact CG-CD1 4.25Å
62	P	98.4	Very high	98.4	Very high	68 Å²	68	34.3 Å²	34.3	44%	0.442	19%	0.193	S	C	.	.	S	Bend	trans	-77.2	163.9	-169.3	31.5	-37.2	0	0	0	113.4	K64 G113 Q114	P62-K64 PolarHBondContact O-N 2.88Å; P62-G113 WeakPolarHBondContact CB-O 3.19Å; P62-Q114 WeakPolarHBondContact CB-O 3.28Å
63	K	98.2	Very high	98.5	Very high	142 Å²	142	36.6 Å²	36.6	62%	0.617	20%	0.203	S	C	*	.	S	Bend	trans	57.8	39.7	169.8	-57.3	-178.7	-179.9	-179.7	0	114.8	V112 Q114	K63-V112 WeakPolarHBondContact CA-O 3.33Å; K63-V112 PolarHBondContact N-O 2.84Å; K63-Q114 HydrophobicContact CG-CB 4.43Å
64	K	97.9	Very high	98.5	Very high	80 Å²	80	37.9 Å²	37.9	35%	0.348	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	158.9	179.2	61.9	173.4	74.4	177.3	0	111.7	P61 P62 L66 V112	P61-K64 HydrophobicContact CB-CD 3.82Å; P61-K64 WeakPolarHBondContact O-CG 3.25Å; P62-K64 PolarHBondContact O-N 2.88Å; K64-L66 HydrophobicContact CD-CD2 3.48Å; K64-L66 VanDerWaalsContact CD-CD2 3.48Å; K64-L66 HydrophobicContact CD-CG 4.24Å; K64-L66 HydrophobicContact CG-CD2 3.96Å; K64-L66 HydrophobicContact CG-CG 4.24Å; K64-V112 HydrophobicContact CG-CG2 4.37Å; K64-V112 PolarHBondContact O-N 2.76Å
65	L	98.7	Very high	98.6	Very high	60 Å²	60	38.1 Å²	38.1	31%	0.314	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	138.1	166.2	-68.9	164.9	0	0	0	109.2	N109 H110 Y111 E146	L65-N109 HydrophobicContact CB-CB 4.28Å; L65-N109 HydrophobicContact CD2-CB 4.11Å; L65-H110 WeakPolarHBondContact CA-O 3.17Å; L65-Y111 HydrophobicContact CD2-CD2 4.29Å; L65-Y111 HydrophobicContact CG-CD2 4.47Å; L65-E146 HydrophobicContact CB-CB 4.13Å; L65-E146 HydrophobicContact CB-CG 3.8Å; L65-E146 HydrophobicContact CD1-CG 4.24Å; L65-E146 WeakPolarHBondContact CD1-OE1 3.43Å; L65-E146 PolarHBondContact O-N 3.16Å
66	L	98.8	Very high	98.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.2	176	-63.7	-175.9	0	0	0	109.8	L60 K64 N109 H110 V112 L118 I142 H143 E144 K145 L167	L60-L66 HydrophobicContact CB-CD1 4.39Å; L60-L66 HydrophobicContact CD1-CD1 4.41Å; L60-L66 HydrophobicContact CD2-CD1 4.11Å; K64-L66 HydrophobicContact CD-CD2 3.48Å; K64-L66 VanDerWaalsContact CD-CD2 3.48Å; K64-L66 HydrophobicContact CD-CG 4.24Å; K64-L66 HydrophobicContact CG-CD2 3.96Å; K64-L66 HydrophobicContact CG-CG 4.24Å; L66-N109 WeakPolarHBondContact O-CA 2.96Å; L66-H110 PolarHBondContact N-O 3.15Å; L66-H110 PolarHBondContact O-N 3.1Å; L66-V112 HydrophobicContact CD1-CG2 3.46Å; L66-V112 VanDerWaalsContact CD1-CG2 3.46Å; L66-V112 HydrophobicContact CG-CG2 3.74Å; L66-L118 HydrophobicContact CB-CD1 4.42Å; L66-L118 HydrophobicContact CD1-CD1 4.4Å; L66-I142 HydrophobicContact CB-CG2 4.2Å; L66-I142 HydrophobicContact CD1-CG2 3.8Å; L66-H143 VanDerWaalsContact CD2-O 3.31Å; L66-H143 WeakPolarHBondContact CD2-O 3.47Å; L66-E144 VanDerWaalsContact CD2-C 3.48Å; L66-E144 VanDerWaalsContact CD2-O 3.27Å; L66-E144 WeakPolarHBondContact CD2-O 3.34Å; L66-K145 WeakPolarHBondContact CA-O 3.49Å; L66-L167 HydrophobicContact CD1-CD1 3.83Å; L66-L167 HydrophobicContact CD2-CD1 4.46Å
67	G	98.7	Very high	98.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	134.7	171.3	0	0	0	0	0	111.8	H143 K145	G67-H143 WeakPolarHBondContact O-CB 3.5Å; G67-H143 PolarHBondContact O-N 2.96Å; G67-K145 PolarHBondContact N-O 3.41Å
68	V	98.9	Very high	98.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	128.8	-179.5	-176.5	0	0	0	0	109.8	F107 G108 H110 F120 M140 V141 I142	V68-F107 HydrophobicContact CB-CB 4.33Å; V68-F107 HydrophobicContact CG1-CB 4.43Å; V68-F107 HydrophobicContact CG1-CD2 4.08Å; V68-F107 WeakPolarHBondContact O-CA 3.41Å; V68-F107 VanDerWaalsContact O-CB 3.28Å; V68-F107 WeakPolarHBondContact O-CB 3.39Å; V68-F107 PolarHBondContact O-N 2.98Å; V68-G108 PolarHBondContact N-O 2.96Å; V68-G108 PolarHBondContact O-N 2.82Å; V68-H110 HydrophobicContact CG2-CB 4.49Å; V68-F120 HydrophobicContact CB-CE1 4.44Å; V68-F120 HydrophobicContact CG1-CE1 4.01Å; V68-F120 HydrophobicContact CG1-CZ 4.26Å; V68-F120 HydrophobicContact CG2-CE1 4.05Å; V68-F120 HydrophobicContact CG2-CZ 4.31Å; V68-M140 HydrophobicContact CG1-CE 3.44Å; V68-M140 VanDerWaalsContact CG1-CE 3.44Å; V68-M140 HydrophobicContact CG1-CG 4.23Å; V68-V141 WeakPolarHBondContact CA-O 3.47Å; V68-I142 HydrophobicContact CG1-CG1 4.37Å; V68-I142 HydrophobicContact CG2-CG1 4.17Å; V68-I142 HydrophobicContact CG2-CG2 4.32Å
69	H	98.8	Very high	98.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	154.5	-176	-43.1	111.6	0	0	0	112.5	H86 H94 G105 D106 V141 H143 D147 S163	H69-H86 AromaticContact CD2-CE1 3.45Å; H69-H86 PolarHBondContact CD2-CE1 2.96Å; H69-H86 VanDerWaalsContact CD2-CE1 3.45Å; H69-H86 AromaticContact CD2-ND1 3.87Å; H69-H86 AromaticContact CE1-CE1 3.43Å; H69-H86 PolarHBondContact CE1-CE1 2.82Å; H69-H86 VanDerWaalsContact CE1-CE1 3.43Å; H69-H86 AromaticContact CE1-NE2 3.77Å; H69-H86 AromaticContact CG-CE1 3.23Å; H69-H86 AromaticContact CG-ND1 3.71Å; H69-H86 AromaticContact CG-NE2 3.59Å; H69-H86 AromaticContact ND1-CE1 3.23Å; H69-H86 PolarHBondContact ND1-CE1 2.99Å; H69-H86 AromaticContact ND1-NE2 3.28Å; H69-H86 PolarHBondContact ND1-NE2 3.01Å; H69-H86 AromaticContact NE2-CE1 3.58Å; H69-H94 AromaticContact NE2-CE1 3.81Å; H69-G105 CarbonylContact C-O 3.55Å; H69-G105 VanDerWaalsContact CA-O 3.29Å; H69-G105 WeakPolarHBondContact CA-O 3.27Å; H69-D106 IonicContact CD2-OD1 3.12Å; H69-V141 PolarHBondContact N-O 2.96Å; H69-V141 PolarHBondContact O-N 3.17Å; H69-H143 AromaticContact CE1-CD2 3.66Å; H69-H143 AromaticContact CE1-NE2 3.79Å; H69-H143 AromaticContact ND1-CD2 3.14Å; H69-H143 PolarHBondContact ND1-CD2 2.85Å; H69-H143 AromaticContact ND1-CE1 3.92Å; H69-H143 AromaticContact ND1-NE2 2.99Å; H69-H143 PolarHBondContact ND1-NE2 2.88Å; H69-D147 IonicContact NE2-OD2 3.15Å; H69-D147 PolarHBondContact NE2-OD2 2.79Å; H69-S163 PolarHBondContact CE1-OG 3.01Å; H69-S163 VanDerWaalsContact CE1-OG 3.26Å
70	I	98.8	Very high	98.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	122.3	161.9	-54.9	-59.2	0	0	0	109	F87 G105 F107 F135 R138 A139 M140 V172	I70-F87 HydrophobicContact CG2-CB 4.29Å; I70-F87 WeakPolarHBondContact O-CB 2.96Å; I70-F87 PolarHBondContact O-N 3.33Å; I70-G105 PolarHBondContact N-O 3.2Å; I70-F107 HydrophobicContact CD1-CE2 3.56Å; I70-F107 HydrophobicContact CD1-CZ 3.63Å; I70-F107 HydrophobicContact CG1-CE1 3.87Å; I70-F107 HydrophobicContact CG1-CE2 3.71Å; I70-F107 HydrophobicContact CG1-CZ 3.31Å; I70-F135 HydrophobicContact CB-CD1 4.06Å; I70-F135 HydrophobicContact CB-CE1 4.27Å; I70-F135 HydrophobicContact CD1-CG 4.49Å; I70-F135 HydrophobicContact CG1-CD1 3.86Å; I70-F135 HydrophobicContact CG1-CD2 4.22Å; I70-F135 HydrophobicContact CG1-CE1 4.04Å; I70-F135 HydrophobicContact CG1-CE2 4.41Å; I70-F135 HydrophobicContact CG1-CG 3.95Å; I70-F135 HydrophobicContact CG1-CZ 4.33Å; I70-F135 HydrophobicContact CG2-CB 4.28Å; I70-F135 HydrophobicContact CG2-CD1 3.73Å; I70-F135 HydrophobicContact CG2-CE1 4.39Å; I70-F135 HydrophobicContact CG2-CG 4.2Å; I70-R138 HydrophobicContact CG2-CB 3.54Å; I70-R138 HydrophobicContact CG2-CG 4.29Å; I70-A139 CarbonylContact C-O 3.58Å; I70-A139 WeakPolarHBondContact CA-O 3.42Å; I70-M140 HydrophobicContact CD1-CB 3.74Å; I70-M140 HydrophobicContact CD1-CG 3.99Å; I70-V172 HydrophobicContact CD1-CG2 4.16Å
71	H	98.8	Very high	98.3	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	160.3	176.6	-77.4	-115.3	0	0	0	112	Y73 A83 G84 P85 H86 R138 A139 V141 H143 R166	H71-Y73 PolarHBondContact O-N 2.02Å; H71-A83 HydrophobicContact CB-CB 3.79Å; H71-G84 PolarHBondContact ND1-O 2.95Å; H71-P85 CarbonylContact C-O 3.22Å; H71-P85 VanDerWaalsContact CA-O 3.29Å; H71-P85 WeakPolarHBondContact CA-O 3.33Å; H71-P85 WeakPolarHBondContact CB-O 3.36Å; H71-P85 PolarHBondContact ND1-O 3.26Å; H71-H86 AromaticContact CE1-CD2 3.72Å; H71-H86 AromaticContact NE2-CD2 3.68Å; H71-H86 AromaticContact NE2-NE2 4Å; H71-R138 WeakPolarHBondContact O-CB 3.16Å; H71-A139 HydrophobicContact CB-CB 4.41Å; H71-A139 PolarHBondContact N-O 3.44Å; H71-V141 HydrophobicContact CB-CG2 4.09Å; H71-V141 VanDerWaalsContact CD2-CB 3.44Å; H71-V141 WeakPolarHBondContact CD2-CB 3.43Å; H71-V141 WeakPolarHBondContact CD2-CG2 3.34Å; H71-H143 AromaticContact CE1-NE2 3.95Å; H71-H143 AromaticContact NE2-CE1 3.74Å; H71-H143 AromaticContact NE2-NE2 3.21Å; H71-H143 PolarHBondContact NE2-NE2 2.8Å; H71-R166 PolarHBondContact ND1-NH1 2.77Å
72	E	98.5	Very high	98.4	Very high	66 Å²	66	54.5 Å²	54.5	31%	0.308	29%	0.29	S	S	.	.	S	Bend	trans	-63.7	-41.6	-168.8	-166.1	178.6	158.8	0	0	113.4	A83 P85 R138	E72-A83 PolarHBondContact N-O 3.33Å; E72-P85 HydrophobicContact CB-CG 4.46Å; E72-P85 PolarHBondContact N-O 2.79Å; E72-P85 WeakPolarHBondContact OE2-CG 3.35Å; E72-R138 PolarHBondContact O-NH1 3.07Å
73	Y	98.5	Very high	98.4	Very high	120 Å²	120	51.3 Å²	51.3	47%	0.471	27%	0.269	S	S	.	.			trans	-114.5	142.7	-172.4	-50.8	-56	0	0	0	112.2	H71 A75 A83 A139	H71-Y73 PolarHBondContact O-N 2.02Å; Y73-A75 PolarHBondContact O-N 3.23Å; Y73-A75 VanDerWaalsContact O-N 3.16Å; Y73-A83 PolarHBondContact N-O 3.26Å; Y73-A83 WeakPolarHBondContact O-CA 3.43Å; Y73-A83 WeakPolarHBondContact O-CB 3.39Å; Y73-A139 VanDerWaalsContact O-CB 3.28Å; Y73-A139 WeakPolarHBondContact O-CB 3.43Å
74	G	98.2	Very high	98.4	Very high	28 Å²	28	45.3 Å²	45.3	29%	0.289	25%	0.247	S	C	.	.			trans	-77	21.1	171	0	0	0	0	0	114.7	G137 V171	G74-G137 VanDerWaalsContact CA-O 3.23Å; G74-G137 WeakPolarHBondContact CA-O 3.37Å; G74-G137 PolarHBondContact N-O 3.48Å; G74-G137 VanDerWaalsContact N-O 3.08Å; G74-V171 WeakPolarHBondContact O-CG2 3.38Å
75	A	98.4	Very high	98.4	Very high	45 Å²	45	45 Å²	45	37%	0.372	25%	0.254	S	S	.	.			trans	-89.1	116	177.1	0	0	0	0	0	109.7	Y73 D82 A83	Y73-A75 PolarHBondContact O-N 3.23Å; Y73-A75 VanDerWaalsContact O-N 3.16Å; A75-D82 HydrophobicContact CB-CB 3.86Å; A75-D82 CarbonylContact O-C 3.57Å; A75-A83 VanDerWaalsContact O-CA 3.25Å; A75-A83 WeakPolarHBondContact O-CA 3.49Å; A75-A83 WeakPolarHBondContact O-CB 3.3Å; A75-A83 PolarHBondContact O-N 3.3Å
76	L	98.3	Very high	98.4	Very high	68 Å²	68	42.5 Å²	42.5	36%	0.356	24%	0.24	S	C	.	.			trans	-98.2	5.7	-172.7	-52	-173.8	0	0	0	114.1	A139 C169 V171	L76-A139 HydrophobicContact CD2-CB 3.76Å; L76-C169 HydrophobicContact CD2-CB 4.04Å; L76-V171 HydrophobicContact CD1-CG2 3.89Å; L76-V171 HydrophobicContact CD2-CG2 3.85Å; L76-V171 HydrophobicContact CG-CG2 3.78Å
77	G	97.2	Very high	98.4	Very high	34 Å²	34	42.8 Å²	42.8	35%	0.351	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	174.1	-178.9	0	0	0	0	0	113.5	E79 C80 N81 D82	G77-E79 PolarHBondContact O-N 3.43Å; G77-C80 CarbonylContact O-C 3.58Å; G77-C80 WeakPolarHBondContact O-CA 3.3Å; G77-C80 PolarHBondContact O-N 2.99Å; G77-N81 PolarHBondContact O-N 3.14Å; G77-D82 WeakPolarHBondContact CA-OD2 3.25Å; G77-D82 PolarHBondContact O-N 3.31Å
78	N	97.8	Very high	98.4	Very high	107 Å²	107	45 Å²	45	57%	0.572	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	51.9	174.1	-170.3	22.7	0	0	0	113.1	C80 N81 D82	N78-C80 VanDerWaalsContact C-N 3.29Å; N78-C80 PolarHBondContact O-N 3.21Å; N78-N81 HydrophobicContact CB-CB 4.33Å; N78-N81 WeakPolarHBondContact O-CB 3.23Å; N78-N81 PolarHBondContact O-N 2.86Å; N78-N81 PolarHBondContact O-ND2 2.73Å; N78-D82 VanDerWaalsContact CB-OD1 3.3Å; N78-D82 WeakPolarHBondContact CB-OD1 3.27Å
79	E	97.1	Very high	98.3	Very high	164 Å²	164	47 Å²	47	77%	0.766	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	47.7	-176.8	-55.5	-176.6	143.8	0	0	112.1	G77 N81	G77-E79 PolarHBondContact O-N 3.43Å; E79-N81 PolarHBondContact O-N 3.45Å; E79-N81 VanDerWaalsContact O-N 3.14Å
80	C	98.5	Very high	98.2	Very high	9 Å²	9	51 Å²	51	6%	0.061	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	67	-0.7	-175.9	-54.2	0	0	0	0	115.7	G77 N78 D82 A83 R166 C169	G77-C80 CarbonylContact O-C 3.58Å; G77-C80 WeakPolarHBondContact O-CA 3.3Å; G77-C80 PolarHBondContact O-N 2.99Å; N78-C80 VanDerWaalsContact C-N 3.29Å; N78-C80 PolarHBondContact O-N 3.21Å; C80-D82 VanDerWaalsContact C-N 3.26Å; C80-D82 PolarHBondContact O-N 3.03Å; C80-A83 WeakPolarHBondContact O-CB 3.42Å; C80-A83 PolarHBondContact O-N 3.03Å; C80-R166 HydrophobicContact CB-CB 3.88Å; C80-R166 HydrophobicContact CB-CG 4.39Å; C80-R166 WeakPolarHBondContact O-CD 3.23Å; C80-R166 PolarHBondContact O-NH1 3.11Å; C80-C169 VanDerWaalsContact CA-SG 3.54Å; C80-C169 HydrophobicContact CB-CB 3.6Å; C80-C169 WeakPolarHBondContact CB-SG 3.44Å; C80-C169 WeakPolarHBondContact SG-CB 3.36Å; C80-C169 PolarHBondContact SG-N 2.99Å; C80-C169 CovalentContact SG-SG 2.02Å; C80-C169 PolarHBondContact SG-SG 2.96Å
81	N	98.4	Very high	98.1	Very high	74 Å²	74	58.2 Å²	58.2	40%	0.396	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-67	-27.5	-178	-69	-61.5	0	0	0	112.9	G77 N78 E79 A83 G84 R166	G77-N81 PolarHBondContact O-N 3.14Å; N78-N81 HydrophobicContact CB-CB 4.33Å; N78-N81 WeakPolarHBondContact O-CB 3.23Å; N78-N81 PolarHBondContact O-N 2.86Å; N78-N81 PolarHBondContact O-ND2 2.73Å; E79-N81 PolarHBondContact O-N 3.45Å; E79-N81 VanDerWaalsContact O-N 3.14Å; N81-A83 PolarHBondContact O-N 3.28Å; N81-A83 VanDerWaalsContact O-N 3.12Å; N81-G84 PolarHBondContact O-N 3.23Å; N81-G84 VanDerWaalsContact O-N 3.1Å; N81-R166 PolarHBondContact O-NH1 2.78Å; N81-R166 PolarHBondContact OD1-NE 3.26Å
82	D	98.7	Very high	98	Very high	78 Å²	78	60 Å²	60	42%	0.417	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-66.9	-13	178.5	-64	-16.5	0	0	0	112.8	A75 G77 N78 C80 G84	A75-D82 HydrophobicContact CB-CB 3.86Å; A75-D82 CarbonylContact O-C 3.57Å; G77-D82 WeakPolarHBondContact CA-OD2 3.25Å; G77-D82 PolarHBondContact O-N 3.31Å; N78-D82 VanDerWaalsContact CB-OD1 3.3Å; N78-D82 WeakPolarHBondContact CB-OD1 3.27Å; C80-D82 VanDerWaalsContact C-N 3.26Å; C80-D82 PolarHBondContact O-N 3.03Å; D82-G84 PolarHBondContact O-N 3.14Å; D82-G84 VanDerWaalsContact O-N 3.13Å
83	A	98.7	Very high	98	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-67	-11.6	174	0	0	0	0	0	112.5	H71 E72 Y73 A75 C80 N81 A139	H71-A83 HydrophobicContact CB-CB 3.79Å; E72-A83 PolarHBondContact N-O 3.33Å; Y73-A83 PolarHBondContact N-O 3.26Å; Y73-A83 WeakPolarHBondContact O-CA 3.43Å; Y73-A83 WeakPolarHBondContact O-CB 3.39Å; A75-A83 VanDerWaalsContact O-CA 3.25Å; A75-A83 WeakPolarHBondContact O-CA 3.49Å; A75-A83 WeakPolarHBondContact O-CB 3.3Å; A75-A83 PolarHBondContact O-N 3.3Å; C80-A83 WeakPolarHBondContact O-CB 3.42Å; C80-A83 PolarHBondContact O-N 3.03Å; N81-A83 PolarHBondContact O-N 3.28Å; N81-A83 VanDerWaalsContact O-N 3.12Å; A83-A139 HydrophobicContact CB-CB 3.76Å
84	G	98.6	Very high	98	Very high	16 Å²	16	54.2 Å²	54.2	17%	0.165	32%	0.315	C	S	.	.			trans	77.4	-159.8	175.8	0	0	0	0	0	113.1	H71 N81 D82 R166	H71-G84 PolarHBondContact ND1-O 2.95Å; N81-G84 PolarHBondContact O-N 3.23Å; N81-G84 VanDerWaalsContact O-N 3.1Å; D82-G84 PolarHBondContact O-N 3.14Å; D82-G84 VanDerWaalsContact O-N 3.13Å; G84-R166 PolarHBondContact O-NH1 2.94Å; G84-R166 VanDerWaalsContact O-NH1 3.09Å; G84-R166 PolarHBondContact O-NH2 2.81Å
85	P	98.4	Very high	98	Very high	74 Å²	74	53 Å²	53	48%	0.481	30%	0.302	S	S	.	.	S	Bend	trans	-71.9	179.1	176.4	33.1	-35.7	0	0	0	111.5	H71 E72	H71-P85 CarbonylContact C-O 3.22Å; H71-P85 VanDerWaalsContact CA-O 3.29Å; H71-P85 WeakPolarHBondContact CA-O 3.33Å; H71-P85 WeakPolarHBondContact CB-O 3.36Å; H71-P85 PolarHBondContact ND1-O 3.26Å; E72-P85 HydrophobicContact CB-CG 4.46Å; E72-P85 PolarHBondContact N-O 2.79Å; E72-P85 WeakPolarHBondContact OE2-CG 3.35Å
86	H	98.6	Very high	97.9	Very high	7 Å²	7	51.4 Å²	51.4	3%	0.032	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-59.5	148.5	169.7	-65.6	-164.4	0	0	0	109.4	H69 H71 N88 H94 H103 D106	H69-H86 AromaticContact CD2-CE1 3.45Å; H69-H86 PolarHBondContact CD2-CE1 2.96Å; H69-H86 VanDerWaalsContact CD2-CE1 3.45Å; H69-H86 AromaticContact CD2-ND1 3.87Å; H69-H86 AromaticContact CE1-CE1 3.43Å; H69-H86 PolarHBondContact CE1-CE1 2.82Å; H69-H86 VanDerWaalsContact CE1-CE1 3.43Å; H69-H86 AromaticContact CE1-NE2 3.77Å; H69-H86 AromaticContact CG-CE1 3.23Å; H69-H86 AromaticContact CG-ND1 3.71Å; H69-H86 AromaticContact CG-NE2 3.59Å; H69-H86 AromaticContact ND1-CE1 3.23Å; H69-H86 PolarHBondContact ND1-CE1 2.99Å; H69-H86 AromaticContact ND1-NE2 3.28Å; H69-H86 PolarHBondContact ND1-NE2 3.01Å; H69-H86 AromaticContact NE2-CE1 3.58Å; H71-H86 AromaticContact CE1-CD2 3.72Å; H71-H86 AromaticContact NE2-CD2 3.68Å; H71-H86 AromaticContact NE2-NE2 4Å; H86-N88 PolarHBondContact O-N 3.34Å; H86-H94 AromaticContact ND1-ND1 3.88Å; H86-H103 WeakPolarHBondContact CB-ND1 3.42Å; H86-H103 AromaticContact CG-ND1 3.82Å; H86-H103 AromaticContact ND1-CE1 3.95Å; H86-H103 AromaticContact ND1-ND1 3.47Å; H86-H103 PolarHBondContact ND1-ND1 3.3Å; H86-D106 IonicContact CE1-OD1 3.3Å; H86-D106 IonicContact CG-OD1 2.59Å; H86-D106 IonicContact ND1-OD1 2.96Å; H86-D106 PolarHBondContact ND1-OD1 2.82Å
87	F	98.5	Very high	97.8	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.026	29%	0.285	C	S	.	.			trans	-65.6	98.2	174.1	171.7	-132	0	0	0	110.3	I70 P89 P104 I129 F132 F135 R138	I70-F87 HydrophobicContact CG2-CB 4.29Å; I70-F87 WeakPolarHBondContact O-CB 2.96Å; I70-F87 PolarHBondContact O-N 3.33Å; F87-P89 HydrophobicContact CD2-CG 4.3Å; F87-P89 HydrophobicContact CE1-CG 4.11Å; F87-P89 HydrophobicContact CE2-CB 3.71Å; F87-P89 HydrophobicContact CE2-CG 3.59Å; F87-P89 HydrophobicContact CZ-CB 3.99Å; F87-P89 HydrophobicContact CZ-CG 3.5Å; F87-P89 VanDerWaalsContact CZ-CG 3.5Å; F87-P89 WeakPolarHBondContact O-CD 3.31Å; F87-P104 HydrophobicContact CD1-CB 4.42Å; F87-P104 HydrophobicContact CE1-CB 4.35Å; F87-I129 HydrophobicContact CE1-CB 4.29Å; F87-I129 HydrophobicContact CE1-CD1 4.17Å; F87-I129 HydrophobicContact CE1-CG2 3.93Å; F87-I129 HydrophobicContact CZ-CG2 4.29Å; F87-F132 HydrophobicContact CZ-CB 4.01Å; F87-F132 HydrophobicContact CZ-CD2 4.09Å; F87-F132 HydrophobicContact CZ-CG 4.07Å; F87-F135 HydrophobicContact CD1-CD1 4.17Å; F87-F135 HydrophobicContact CD1-CE1 4.11Å; F87-F135 HydrophobicContact CE1-CD1 4.46Å; F87-F135 HydrophobicContact CE1-CE1 4.42Å; F87-R138 VanDerWaalsContact CZ-CZ 3.46Å; F87-R138 VanDerWaalsContact CZ-NH2 3.32Å
88	N	98	Very high	97.7	Very high	47 Å²	47	55.6 Å²	55.6	25%	0.251	31%	0.31	S	S	.	.			trans	-122.9	69.3	-174.4	-172.1	6.3	0	0	0	112.2	H86 F90 N91 S92 H103	H86-N88 PolarHBondContact O-N 3.34Å; N88-F90 PolarHBondContact O-N 3.29Å; N88-F90 VanDerWaalsContact O-N 3.12Å; N88-N91 PolarHBondContact O-N 3.43Å; N88-N91 WeakPolarHBondContact OD1-CA 3.3Å; N88-N91 PolarHBondContact OD1-N 2.93Å; N88-S92 PolarHBondContact ND2-N 3.38Å; N88-S92 PolarHBondContact ND2-O 3.3Å; N88-S92 PolarHBondContact OD1-N 3.39Å; N88-H103 PolarHBondContact ND2-CD2 3.48Å; N88-H103 VanDerWaalsContact ND2-CD2 3.26Å; N88-H103 PolarHBondContact ND2-NE2 2.92Å; N88-H103 PolarHBondContact OD1-CD2 2.86Å
89	P	97.5	Very high	97.2	Very high	43 Å²	43	51.9 Å²	51.9	28%	0.279	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-8.9	-176.5	31.6	-36.7	0	0	0	113.7	F87 P104 I129 F132	F87-P89 HydrophobicContact CD2-CG 4.3Å; F87-P89 HydrophobicContact CE1-CG 4.11Å; F87-P89 HydrophobicContact CE2-CB 3.71Å; F87-P89 HydrophobicContact CE2-CG 3.59Å; F87-P89 HydrophobicContact CZ-CB 3.99Å; F87-P89 HydrophobicContact CZ-CG 3.5Å; F87-P89 VanDerWaalsContact CZ-CG 3.5Å; F87-P89 WeakPolarHBondContact O-CD 3.31Å; P89-P104 HydrophobicContact CG-CG 4.06Å; P89-I129 HydrophobicContact CG-CG2 4.36Å; P89-F132 HydrophobicContact CB-CD2 4.29Å; P89-F132 HydrophobicContact CB-CE1 4.13Å; P89-F132 HydrophobicContact CB-CE2 3.61Å; P89-F132 HydrophobicContact CB-CZ 3.5Å; P89-F132 VanDerWaalsContact CB-CZ 3.5Å; P89-F132 HydrophobicContact CG-CD2 4.37Å; P89-F132 HydrophobicContact CG-CE2 3.93Å; P89-F132 HydrophobicContact CG-CZ 4.33Å
90	F	96.8	Very high	96.9	Very high	82 Å²	82	49.8 Å²	49.8	36%	0.36	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	6.6	-174.8	-52.8	-55.1	0	0	0	113.1	N88 S92 P104 S128 I129 F132	N88-F90 PolarHBondContact O-N 3.29Å; N88-F90 VanDerWaalsContact O-N 3.12Å; F90-S92 PolarHBondContact O-N 3.25Å; F90-P104 HydrophobicContact CD2-CG 3.83Å; F90-P104 HydrophobicContact CE2-CG 3.6Å; F90-S128 WeakPolarHBondContact CZ-O 3.44Å; F90-I129 HydrophobicContact CE2-CG2 3.87Å; F90-I129 HydrophobicContact CZ-CG2 4.08Å; F90-F132 HydrophobicContact CE1-CE2 4.01Å; F90-F132 AromaticContact CZ-CE2 3.96Å; F90-F132 HydrophobicContact CZ-CE2 3.96Å
91	N	97	Very high	96.7	Very high	152 Å²	152	52.6 Å²	52.6	81%	0.813	32%	0.318	S	S	*	.			trans	47.7	46.2	-177.9	-168.1	52	0	0	0	112.4	N88	N88-N91 PolarHBondContact O-N 3.43Å; N88-N91 WeakPolarHBondContact OD1-CA 3.3Å; N88-N91 PolarHBondContact OD1-N 2.93Å
92	S	96.7	Very high	96.7	Very high	40 Å²	40	51.1 Å²	51.1	28%	0.28	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-93.7	160	179	-60.5	0	0	0	0	110.8	N88 F90 H103	N88-S92 PolarHBondContact ND2-N 3.38Å; N88-S92 PolarHBondContact ND2-O 3.3Å; N88-S92 PolarHBondContact OD1-N 3.39Å; F90-S92 PolarHBondContact O-N 3.25Å; S92-H103 PolarHBondContact O-CD2 3.47Å; S92-H103 PolarHBondContact O-NE2 3.21Å; S92-H103 VanDerWaalsContact O-NE2 3.17Å
93	D	97.9	Very high	96.6	Very high	59 Å²	59	47.6 Å²	47.6	32%	0.316	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-68.8	152.2	164.3	-71.5	-39.2	0	0	0	109.9	P101 R102 R158	D93-P101 HydrophobicContact CB-CB 4.37Å; D93-P101 HydrophobicContact CB-CG 3.87Å; D93-R102 CarbonylContact O-C 3.49Å; D93-R102 VanDerWaalsContact O-CA 3.31Å; D93-R102 WeakPolarHBondContact O-CA 3.15Å; D93-R102 PolarHBondContact O-N 2.98Å; D93-R158 VanDerWaalsContact CG-NH2 3.29Å; D93-R158 IonicContact OD1-CZ 3.23Å; D93-R158 VanDerWaalsContact OD1-CZ 3.3Å; D93-R158 IonicContact OD1-NE 3.8Å; D93-R158 PolarHBondContact OD1-NE 3.41Å; D93-R158 IonicContact OD1-NH2 3.62Å; D93-R158 PolarHBondContact OD1-NH2 2.79Å; D93-R158 IonicContact OD2-CZ 3.26Å; D93-R158 IonicContact OD2-NE 2.71Å; D93-R158 PolarHBondContact OD2-NE 2.96Å; D93-R158 IonicContact OD2-NH2 3.3Å; D93-R158 PolarHBondContact OD2-NH2 2.59Å
94	H	98.2	Very high	96.5	Very high	5 Å²	5	47.8 Å²	47.8	2%	0.023	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-60.9	151	172.7	172.5	69.5	0	0	0	111.5	H69 H86 D106 D147 G150 S157 R158 G161	H69-H94 AromaticContact NE2-CE1 3.81Å; H86-H94 AromaticContact ND1-ND1 3.88Å; H94-D106 VanDerWaalsContact CE1-CG 3.5Å; H94-D106 IonicContact CE1-OD1 2.61Å; H94-D106 IonicContact CE1-OD2 3.03Å; H94-D106 IonicContact CG-OD2 3.58Å; H94-D106 IonicContact ND1-OD1 3.4Å; H94-D106 PolarHBondContact ND1-OD1 2.84Å; H94-D106 IonicContact ND1-OD2 3.48Å; H94-D106 PolarHBondContact ND1-OD2 2.89Å; H94-D147 IonicContact CD2-OD1 3.78Å; H94-D147 IonicContact CE1-OD1 2.93Å; H94-D147 IonicContact CE1-OD2 3.72Å; H94-D147 PolarHBondContact CE1-OD2 3.44Å; H94-D147 VanDerWaalsContact CE1-OD2 3.26Å; H94-D147 IonicContact NE2-OD1 3.03Å; H94-D147 PolarHBondContact NE2-OD1 3.36Å; H94-D147 IonicContact NE2-OD2 2.94Å; H94-D147 PolarHBondContact NE2-OD2 3.08Å; H94-G150 PolarHBondContact CD2-N 3.16Å; H94-S157 PolarHBondContact CD2-O 3.14Å; H94-S157 VanDerWaalsContact CD2-O 3.3Å; H94-R158 VanDerWaalsContact CB-O 3.22Å; H94-R158 WeakPolarHBondContact CB-O 3.5Å; H94-R158 PolarHBondContact N-O 3.44Å; H94-G161 WeakPolarHBondContact CD2-CA 3.38Å; H94-G161 PolarHBondContact CD2-N 3.11Å; H94-G161 VanDerWaalsContact CD2-N 3.25Å; H94-G161 VanDerWaalsContact NE2-CA 3.34Å; H94-G161 WeakPolarHBondContact NE2-CA 2.98Å
95	G	97.9	Very high	96.5	Very high	3 Å²	3	47 Å²	47	3%	0.031	28%	0.282	C	S	.	.			trans	-163.4	-180	173.6	0	0	0	0	0	112.2	D106	G95-D106 PolarHBondContact N-OD2 2.79Å; G95-D106 VanDerWaalsContact N-OD2 3.12Å; G95-D106 WeakPolarHBondContact O-CB 3.4Å
96	G	97.1	Very high	96.5	Very high	11 Å²	11	43.5 Å²	43.5	11%	0.113	26%	0.259	C	S	.	.			trans	-73.8	176.5	177.7	0	0	0	0	0	114.5	T98 G99 R102	G96-T98 PolarHBondContact O-N 3.02Å; G96-T98 VanDerWaalsContact O-N 3.1Å; G96-G99 PolarHBondContact O-N 2.73Å; G96-R102 VanDerWaalsContact O-CD 3.26Å; G96-R102 WeakPolarHBondContact O-CD 3.32Å; G96-R102 PolarHBondContact O-NE 3.47Å
97	L	97.2	Very high	96.5	Very high	49 Å²	49	43.3 Å²	43.3	26%	0.257	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-41.9	179.6	179.5	62.9	0	0	0	114.1	R102 D106 F122 V124	L97-R102 PolarHBondContact O-NE 3.21Å; L97-R102 VanDerWaalsContact O-NE 3.15Å; L97-D106 WeakPolarHBondContact CA-O 3.28Å; L97-F122 HydrophobicContact CD1-CD2 3.87Å; L97-F122 HydrophobicContact CD1-CE2 3.9Å; L97-F122 HydrophobicContact CD2-CB 4.35Å; L97-F122 HydrophobicContact CD2-CD2 3.67Å; L97-F122 HydrophobicContact CD2-CE2 4.37Å; L97-F122 HydrophobicContact CD2-CG 4.31Å; L97-F122 HydrophobicContact CG-CD2 4.45Å; L97-V124 HydrophobicContact CD1-CG2 3.98Å
98	T	93.2	Very high	96.5	Very high	141 Å²	141	43.1 Å²	43.1	87%	0.865	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	15.8	179.4	63.7	0	0	0	0	112.6	G96	G96-T98 PolarHBondContact O-N 3.02Å; G96-T98 VanDerWaalsContact O-N 3.1Å
99	G	88.5	Confident	96.5	Very high	29 Å²	29	42.8 Å²	42.8	30%	0.299	26%	0.256	S	S	.	.			trans	-74.6	160.5	-179.3	0	0	0	0	0	113.3	G96 P101 R102	G96-G99 PolarHBondContact O-N 2.73Å; G99-P101 CarbonylContact C-O 3.48Å; G99-R102 WeakPolarHBondContact O-CD 3.34Å; G99-R102 VanDerWaalsContact O-CG 3.24Å; G99-R102 WeakPolarHBondContact O-CG 3.47Å
100	S	90.8	Very high	96.6	Very high	121 Å²	121	41.9 Å²	41.9	85%	0.846	25%	0.248	S	C	*	.	S	Bend	trans	-143.7	120.6	164.6	-169.2	0	0	0	0	108
101	P	94.7	Very high	96.6	Very high	67 Å²	67	44.4 Å²	44.4	44%	0.435	26%	0.256	S	S	.	.	S	Bend	cis	-67.1	164.1	-0.8	32.6	-36.8	0	0	0	112.8	D93 G99	D93-P101 HydrophobicContact CB-CB 4.37Å; D93-P101 HydrophobicContact CB-CG 3.87Å; G99-P101 CarbonylContact C-O 3.48Å
102	R	97.2	Very high	96.7	Very high	43 Å²	43	37.1 Å²	37.1	16%	0.162	22%	0.217	C	C	.	.			trans	-162.1	158.3	169	65.1	177.9	-67.3	-88.7	-1.2	110.5	D93 G96 L97 G99 P104 D106	D93-R102 CarbonylContact O-C 3.49Å; D93-R102 VanDerWaalsContact O-CA 3.31Å; D93-R102 WeakPolarHBondContact O-CA 3.15Å; D93-R102 PolarHBondContact O-N 2.98Å; G96-R102 VanDerWaalsContact O-CD 3.26Å; G96-R102 WeakPolarHBondContact O-CD 3.32Å; G96-R102 PolarHBondContact O-NE 3.47Å; L97-R102 PolarHBondContact O-NE 3.21Å; L97-R102 VanDerWaalsContact O-NE 3.15Å; G99-R102 WeakPolarHBondContact O-CD 3.34Å; G99-R102 VanDerWaalsContact O-CG 3.24Å; G99-R102 WeakPolarHBondContact O-CG 3.47Å; R102-P104 PolarHBondContact NH1-O 3.45Å; R102-P104 PolarHBondContact NH2-O 3.09Å; R102-D106 PolarHBondContact NH2-O 3.43Å
103	H	97.7	Very high	96.8	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.019	22%	0.216	C	C	.	.			trans	-75.9	148.4	160.2	-45.8	135	0	0	0	110.2	H86 N88 S92 G105 D106 K159	H86-H103 WeakPolarHBondContact CB-ND1 3.42Å; H86-H103 AromaticContact CG-ND1 3.82Å; H86-H103 AromaticContact ND1-CE1 3.95Å; H86-H103 AromaticContact ND1-ND1 3.47Å; H86-H103 PolarHBondContact ND1-ND1 3.3Å; N88-H103 PolarHBondContact ND2-CD2 3.48Å; N88-H103 VanDerWaalsContact ND2-CD2 3.26Å; N88-H103 PolarHBondContact ND2-NE2 2.92Å; N88-H103 PolarHBondContact OD1-CD2 2.86Å; S92-H103 PolarHBondContact O-CD2 3.47Å; S92-H103 PolarHBondContact O-NE2 3.21Å; S92-H103 VanDerWaalsContact O-NE2 3.17Å; H103-G105 PolarHBondContact O-N 3.2Å; H103-G105 VanDerWaalsContact O-N 3.11Å; H103-D106 VanDerWaalsContact CB-OD2 3.29Å; H103-D106 WeakPolarHBondContact CB-OD2 3.28Å; H103-D106 IonicContact CG-OD1 2.79Å; H103-D106 IonicContact CG-OD2 2.91Å; H103-D106 VanDerWaalsContact CG-OD2 3.3Å; H103-D106 PolarHBondContact N-OD2 2.91Å; H103-D106 IonicContact ND1-OD1 2.98Å; H103-D106 PolarHBondContact ND1-OD1 2.85Å; H103-D106 IonicContact ND1-OD2 3.89Å; H103-D106 PolarHBondContact ND1-OD2 3.11Å; H103-D106 VanDerWaalsContact ND1-OD2 3.15Å; H103-D106 PolarHBondContact O-N 3.4Å; H103-D106 VanDerWaalsContact O-N 3.13Å; H103-K159 PolarHBondContact CE1-O 3.01Å
104	P	96.6	Very high	96.8	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.026	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.8	175.5	-27.6	36.3	0	0	0	113.9	F87 P89 F90 R102 I129 F135	F87-P104 HydrophobicContact CD1-CB 4.42Å; F87-P104 HydrophobicContact CE1-CB 4.35Å; P89-P104 HydrophobicContact CG-CG 4.06Å; F90-P104 HydrophobicContact CD2-CG 3.83Å; F90-P104 HydrophobicContact CE2-CG 3.6Å; R102-P104 PolarHBondContact NH1-O 3.45Å; R102-P104 PolarHBondContact NH2-O 3.09Å; P104-I129 HydrophobicContact CB-CD1 4.07Å; P104-I129 HydrophobicContact CB-CG2 3.46Å; P104-I129 VanDerWaalsContact CB-CG2 3.46Å; P104-I129 HydrophobicContact CG-CG2 3.44Å; P104-I129 VanDerWaalsContact CG-CG2 3.44Å; P104-F135 WeakPolarHBondContact O-CZ 3.49Å
105	G	97.7	Very high	96.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	2.4	-178.4	0	0	0	0	0	116.3	H69 I70 H103 F107	H69-G105 CarbonylContact C-O 3.55Å; H69-G105 VanDerWaalsContact CA-O 3.29Å; H69-G105 WeakPolarHBondContact CA-O 3.27Å; I70-G105 PolarHBondContact N-O 3.2Å; H103-G105 PolarHBondContact O-N 3.2Å; H103-G105 VanDerWaalsContact O-N 3.11Å; G105-F107 PolarHBondContact O-N 2.77Å; G105-F107 VanDerWaalsContact O-N 3.16Å
106	D	98.5	Very high	96.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	99	-179.8	-64.1	-29.1	0	0	0	110.3	H69 H86 H94 G95 L97 R102 H103 G108	H69-D106 IonicContact CD2-OD1 3.12Å; H86-D106 IonicContact CE1-OD1 3.3Å; H86-D106 IonicContact CG-OD1 2.59Å; H86-D106 IonicContact ND1-OD1 2.96Å; H86-D106 PolarHBondContact ND1-OD1 2.82Å; H94-D106 VanDerWaalsContact CE1-CG 3.5Å; H94-D106 IonicContact CE1-OD1 2.61Å; H94-D106 IonicContact CE1-OD2 3.03Å; H94-D106 IonicContact CG-OD2 3.58Å; H94-D106 IonicContact ND1-OD1 3.4Å; H94-D106 PolarHBondContact ND1-OD1 2.84Å; H94-D106 IonicContact ND1-OD2 3.48Å; H94-D106 PolarHBondContact ND1-OD2 2.89Å; G95-D106 PolarHBondContact N-OD2 2.79Å; G95-D106 VanDerWaalsContact N-OD2 3.12Å; G95-D106 WeakPolarHBondContact O-CB 3.4Å; L97-D106 WeakPolarHBondContact CA-O 3.28Å; R102-D106 PolarHBondContact NH2-O 3.43Å; H103-D106 VanDerWaalsContact CB-OD2 3.29Å; H103-D106 WeakPolarHBondContact CB-OD2 3.28Å; H103-D106 IonicContact CG-OD1 2.79Å; H103-D106 IonicContact CG-OD2 2.91Å; H103-D106 VanDerWaalsContact CG-OD2 3.3Å; H103-D106 PolarHBondContact N-OD2 2.91Å; H103-D106 IonicContact ND1-OD1 2.98Å; H103-D106 PolarHBondContact ND1-OD1 2.85Å; H103-D106 IonicContact ND1-OD2 3.89Å; H103-D106 PolarHBondContact ND1-OD2 3.11Å; H103-D106 VanDerWaalsContact ND1-OD2 3.15Å; H103-D106 PolarHBondContact O-N 3.4Å; H103-D106 VanDerWaalsContact O-N 3.13Å; D106-G108 VanDerWaalsContact C-N 3.33Å
107	F	98.6	Very high	96.9	Very high	3 Å²	3	48.2 Å²	48.2	1%	0.013	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-10.9	-178.6	-59.6	-15.7	0	0	0	112.7	F44 V68 I70 G105 F122 V124 F135 M140	F44-F107 HydrophobicContact CE1-CE2 4.03Å; F44-F107 HydrophobicContact CE1-CZ 4.13Å; V68-F107 HydrophobicContact CB-CB 4.33Å; V68-F107 HydrophobicContact CG1-CB 4.43Å; V68-F107 HydrophobicContact CG1-CD2 4.08Å; V68-F107 WeakPolarHBondContact O-CA 3.41Å; V68-F107 VanDerWaalsContact O-CB 3.28Å; V68-F107 WeakPolarHBondContact O-CB 3.39Å; V68-F107 PolarHBondContact O-N 2.98Å; I70-F107 HydrophobicContact CD1-CE2 3.56Å; I70-F107 HydrophobicContact CD1-CZ 3.63Å; I70-F107 HydrophobicContact CG1-CE1 3.87Å; I70-F107 HydrophobicContact CG1-CE2 3.71Å; I70-F107 HydrophobicContact CG1-CZ 3.31Å; G105-F107 PolarHBondContact O-N 2.77Å; G105-F107 VanDerWaalsContact O-N 3.16Å; F107-F122 HydrophobicContact CB-CE2 3.99Å; F107-F122 HydrophobicContact CB-CZ 3.87Å; F107-F122 HydrophobicContact CD1-CE2 4.12Å; F107-F122 HydrophobicContact CD1-CZ 4.4Å; F107-F122 HydrophobicContact CD2-CE2 4.17Å; F107-F122 AromaticContact CD2-CZ 3.64Å; F107-F122 HydrophobicContact CD2-CZ 3.64Å; F107-F122 HydrophobicContact CE2-CZ 4.19Å; F107-F122 AromaticContact CG-CE2 3.86Å; F107-F122 HydrophobicContact CG-CE2 3.86Å; F107-F122 AromaticContact CG-CZ 3.74Å; F107-F122 HydrophobicContact CG-CZ 3.74Å; F107-V124 HydrophobicContact CD1-CG2 3.97Å; F107-V124 HydrophobicContact CE1-CG1 4.13Å; F107-V124 HydrophobicContact CE1-CG2 3.66Å; F107-V124 HydrophobicContact CZ-CG2 4.2Å; F107-F135 AromaticContact CE1-CE2 3.77Å; F107-F135 HydrophobicContact CE1-CE2 3.77Å; F107-F135 AromaticContact CE1-CZ 3.83Å; F107-F135 HydrophobicContact CE1-CZ 3.83Å; F107-F135 HydrophobicContact CZ-CD2 4.09Å; F107-F135 AromaticContact CZ-CE2 3.65Å; F107-F135 HydrophobicContact CZ-CE2 3.65Å; F107-F135 HydrophobicContact CZ-CZ 4.1Å; F107-M140 HydrophobicContact CD2-CE 4.3Å; F107-M140 HydrophobicContact CE2-CE 4.43Å
108	G	98.2	Very high	97	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.1	-149	175.8	0	0	0	0	0	112.5	V68 D106	V68-G108 PolarHBondContact N-O 2.96Å; V68-G108 PolarHBondContact O-N 2.82Å; D106-G108 VanDerWaalsContact C-N 3.33Å
109	N	98.5	Very high	97.3	Very high	40 Å²	40	44.5 Å²	44.5	21%	0.214	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.5	-171.1	-74	-48.7	0	0	0	113.8	L65 L66 E146 D147	L65-N109 HydrophobicContact CB-CB 4.28Å; L65-N109 HydrophobicContact CD2-CB 4.11Å; L66-N109 WeakPolarHBondContact O-CA 2.96Å; N109-E146 WeakPolarHBondContact ND2-CG 3.19Å; N109-E146 WeakPolarHBondContact OD1-CA 3.47Å; N109-E146 WeakPolarHBondContact OD1-CG 3.28Å; N109-D147 PolarHBondContact ND2-O 2.82Å; N109-D147 WeakPolarHBondContact OD1-CB 3.2Å; N109-D147 PolarHBondContact OD1-N 2.71Å
110	H	98.7	Very high	97.7	Very high	24 Å²	24	43.3 Å²	43.3	11%	0.111	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.3	172.1	-65.6	-87	0	0	0	111.3	L65 L66 V68 L118 F120 F122	L65-H110 WeakPolarHBondContact CA-O 3.17Å; L66-H110 PolarHBondContact N-O 3.15Å; L66-H110 PolarHBondContact O-N 3.1Å; V68-H110 HydrophobicContact CG2-CB 4.49Å; H110-L118 HydrophobicContact CB-CD1 3.9Å; H110-L118 HydrophobicContact CB-CD2 3.69Å; H110-L118 HydrophobicContact CB-CG 3.89Å; H110-F120 HydrophobicContact CB-CE1 4.49Å; H110-F120 AromaticContact CD2-CE1 3.9Å; H110-F120 AromaticContact CE1-CD1 3.86Å; H110-F120 AromaticContact CG-CE1 3.94Å; H110-F120 AromaticContact ND1-CD1 3.83Å; H110-F122 AromaticContact CE1-CD1 3.5Å; H110-F122 VanDerWaalsContact CE1-CD1 3.5Å; H110-F122 WeakPolarHBondContact CE1-CD1 3.44Å; H110-F122 AromaticContact CE1-CE1 3.37Å; H110-F122 WeakPolarHBondContact CE1-CE1 2.94Å; H110-F122 AromaticContact CE1-CZ 3.93Å; H110-F122 AromaticContact NE2-CE1 3.75Å; H110-F122 AromaticContact NE2-CZ 3.88Å
111	Y	98.6	Very high	98.1	Very high	135 Å²	135	42.7 Å²	42.7	53%	0.529	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	127	-176.9	-175.4	-102.3	0	0	0	111.8	L65	L65-Y111 HydrophobicContact CD2-CD2 4.29Å; L65-Y111 HydrophobicContact CG-CD2 4.47Å
112	V	98.8	Very high	98.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	119.7	171	-167.9	0	0	0	0	109.4	L60 P61 K63 K64 L66 L118	L60-V112 HydrophobicContact CB-CG1 3.8Å; L60-V112 HydrophobicContact CB-CG2 4.16Å; L60-V112 HydrophobicContact CD1-CG2 4.41Å; P61-V112 WeakPolarHBondContact O-CB 3.24Å; P61-V112 WeakPolarHBondContact O-CG1 3.35Å; K63-V112 WeakPolarHBondContact CA-O 3.33Å; K63-V112 PolarHBondContact N-O 2.84Å; K64-V112 HydrophobicContact CG-CG2 4.37Å; K64-V112 PolarHBondContact O-N 2.76Å; L66-V112 HydrophobicContact CD1-CG2 3.46Å; L66-V112 VanDerWaalsContact CD1-CG2 3.46Å; L66-V112 HydrophobicContact CG-CG2 3.74Å; V112-L118 HydrophobicContact CG2-CB 4.2Å; V112-L118 HydrophobicContact CG2-CD1 4.04Å; V112-L118 HydrophobicContact CG2-CG 4.38Å
113	G	98.5	Very high	98.2	Very high	24 Å²	24	41.8 Å²	41.8	25%	0.247	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-63.8	173.2	177.6	0	0	0	0	0	113.8	P62 H115 G116 V117	P62-G113 WeakPolarHBondContact CB-O 3.19Å; G113-H115 PolarHBondContact O-N 3.16Å; G113-G116 PolarHBondContact O-N 3.13Å; G113-V117 PolarHBondContact N-O 3.04Å
114	Q	98	Very high	98.2	Very high	127 Å²	127	41.6 Å²	41.6	59%	0.593	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.5	-175.4	71.7	-178.2	11	0	0	115	P62 K63	P62-Q114 WeakPolarHBondContact CB-O 3.28Å; K63-Q114 HydrophobicContact CG-CB 4.43Å
115	H	98.2	Very high	98.1	Very high	150 Å²	150	45.4 Å²	45.4	69%	0.694	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	13.9	179.5	-59	-61.8	0	0	0	113	G113 V117	G113-H115 PolarHBondContact O-N 3.16Å; H115-V117 VanDerWaalsContact C-N 3.33Å
116	G	98.5	Very high	97.9	Very high	4 Å²	4	45.7 Å²	45.7	4%	0.041	23%	0.232	C	C	.	.	S	Bend	trans	72.7	26.9	179.5	0	0	0	0	0	113.8	S58 G59 L60 G113	S58-G116 CarbonylContact C-O 3.42Å; S58-G116 WeakPolarHBondContact CA-O 3.37Å; G59-G116 PolarHBondContact N-O 2.84Å; L60-G116 PolarHBondContact N-O 2.76Å; L60-G116 WeakPolarHBondContact O-CA 3.46Å; G113-G116 PolarHBondContact O-N 3.13Å
117	V	98.8	Very high	97.6	Very high	46 Å²	46	48.8 Å²	48.8	28%	0.279	25%	0.254	S	S	.	.			trans	-110.4	125.3	178.5	-175.7	0	0	0	0	109.2	V57 G113 H115	V57-V117 WeakPolarHBondContact O-CA 3.33Å; G113-V117 PolarHBondContact N-O 3.04Å; H115-V117 VanDerWaalsContact C-N 3.33Å
118	L	98.7	Very high	97.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	120.5	173.4	-170.6	168	0	0	0	107.7	S56 V57 L60 L66 H110 V112 F120 I142	S56-L118 CarbonylContact C-O 3.55Å; S56-L118 WeakPolarHBondContact CA-O 3.31Å; V57-L118 PolarHBondContact N-O 2.84Å; V57-L118 PolarHBondContact O-N 3.06Å; L60-L118 HydrophobicContact CD1-CB 3.42Å; L60-L118 VanDerWaalsContact CD1-CB 3.42Å; L60-L118 HydrophobicContact CD1-CD1 3.82Å; L60-L118 HydrophobicContact CD1-CG 4.28Å; L66-L118 HydrophobicContact CB-CD1 4.42Å; L66-L118 HydrophobicContact CD1-CD1 4.4Å; H110-L118 HydrophobicContact CB-CD1 3.9Å; H110-L118 HydrophobicContact CB-CD2 3.69Å; H110-L118 HydrophobicContact CB-CG 3.89Å; V112-L118 HydrophobicContact CG2-CB 4.2Å; V112-L118 HydrophobicContact CG2-CD1 4.04Å; V112-L118 HydrophobicContact CG2-CG 4.38Å; L118-F120 HydrophobicContact CD1-CZ 4.41Å; L118-F120 HydrophobicContact CD2-CD1 3.74Å; L118-F120 HydrophobicContact CD2-CD2 3.85Å; L118-F120 HydrophobicContact CD2-CE1 3.38Å; L118-F120 HydrophobicContact CD2-CE2 3.48Å; L118-F120 VanDerWaalsContact CD2-CE2 3.48Å; L118-F120 HydrophobicContact CD2-CG 4Å; L118-F120 HydrophobicContact CD2-CZ 3.25Å; L118-F120 HydrophobicContact CG-CZ 4.43Å; L118-I142 HydrophobicContact CD1-CG2 4.4Å
119	N	98.6	Very high	97.1	Very high	111 Å²	111	51.3 Å²	51.3	59%	0.594	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.7	177.2	-61.3	-52.7	0	0	0	110	G55 S56	G55-N119 WeakPolarHBondContact O-CA 3.34Å; S56-N119 VanDerWaalsContact CB-OD1 3.31Å; S56-N119 WeakPolarHBondContact CB-OD1 3.48Å
120	F	98.7	Very high	96.7	Very high	5 Å²	5	52.6 Å²	52.6	2%	0.022	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.3	174.8	-62	-77.2	0	0	0	109.3	V42 V53 T54 G55 V57 V68 H110 L118 F122 M140 I142	V42-F120 HydrophobicContact CG1-CD2 4.33Å; V42-F120 HydrophobicContact CG2-CD2 3.45Å; V42-F120 VanDerWaalsContact CG2-CD2 3.45Å; V42-F120 HydrophobicContact CG2-CE2 3.5Å; V42-F120 VanDerWaalsContact CG2-CE2 3.5Å; V42-F120 HydrophobicContact CG2-CG 4.39Å; V42-F120 HydrophobicContact CG2-CZ 4.48Å; V53-F120 HydrophobicContact CG1-CB 4.38Å; T54-F120 CarbonylContact C-O 3.57Å; T54-F120 VanDerWaalsContact CA-O 3.27Å; T54-F120 WeakPolarHBondContact CA-O 3.26Å; G55-F120 PolarHBondContact N-O 2.82Å; G55-F120 VanDerWaalsContact N-O 3.11Å; G55-F120 PolarHBondContact O-N 2.94Å; V57-F120 HydrophobicContact CG2-CE2 4Å; V68-F120 HydrophobicContact CB-CE1 4.44Å; V68-F120 HydrophobicContact CG1-CE1 4.01Å; V68-F120 HydrophobicContact CG1-CZ 4.26Å; V68-F120 HydrophobicContact CG2-CE1 4.05Å; V68-F120 HydrophobicContact CG2-CZ 4.31Å; H110-F120 HydrophobicContact CB-CE1 4.49Å; H110-F120 AromaticContact CD2-CE1 3.9Å; H110-F120 AromaticContact CE1-CD1 3.86Å; H110-F120 AromaticContact CG-CE1 3.94Å; H110-F120 AromaticContact ND1-CD1 3.83Å; L118-F120 HydrophobicContact CD1-CZ 4.41Å; L118-F120 HydrophobicContact CD2-CD1 3.74Å; L118-F120 HydrophobicContact CD2-CD2 3.85Å; L118-F120 HydrophobicContact CD2-CE1 3.38Å; L118-F120 HydrophobicContact CD2-CE2 3.48Å; L118-F120 VanDerWaalsContact CD2-CE2 3.48Å; L118-F120 HydrophobicContact CD2-CG 4Å; L118-F120 HydrophobicContact CD2-CZ 3.25Å; L118-F120 HydrophobicContact CG-CZ 4.43Å; F120-F122 HydrophobicContact CB-CD1 4.41Å; F120-F122 HydrophobicContact CB-CE1 4.07Å; F120-F122 AromaticContact CD1-CE1 3.71Å; F120-F122 HydrophobicContact CD1-CE1 3.71Å; F120-F122 HydrophobicContact CG-CE1 4.33Å; F120-M140 HydrophobicContact CD1-CE 4.13Å; F120-M140 HydrophobicContact CD2-CE 4.41Å; F120-M140 HydrophobicContact CE1-CE 3.5Å; F120-M140 VanDerWaalsContact CE1-CE 3.5Å; F120-M140 HydrophobicContact CE2-CE 3.84Å; F120-M140 HydrophobicContact CZ-CE 3.31Å; F120-I142 HydrophobicContact CE2-CD1 4.47Å; F120-I142 HydrophobicContact CZ-CD1 4.08Å; F120-I142 HydrophobicContact CZ-CG1 4.49Å
121	D	98.1	Very high	96.4	Very high	107 Å²	107	59 Å²	59	57%	0.572	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159.4	83.4	170.3	-166.3	28.7	0	0	0	110.8	R52 V53 T54	R52-D121 IonicContact CZ-OD1 3.68Å; R52-D121 IonicContact NE-OD1 3.61Å; R52-D121 PolarHBondContact NE-OD1 3.12Å; R52-D121 IonicContact NH2-OD1 2.99Å; R52-D121 PolarHBondContact NH2-OD1 3Å; R52-D121 IonicContact NH2-OD2 3.91Å; R52-D121 PolarHBondContact NH2-OD2 3.15Å; V53-D121 VanDerWaalsContact O-CA 3.31Å; V53-D121 WeakPolarHBondContact O-CA 3.48Å; T54-D121 WeakPolarHBondContact CG2-OD1 3.37Å
122	F	98.1	Very high	96	Very high	20 Å²	20	55.6 Å²	55.6	9%	0.088	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	165.7	-175.2	65.7	-77.2	0	0	0	111.8	V53 L97 F107 H110 F120 V124	V53-F122 HydrophobicContact CB-CD1 4.04Å; V53-F122 HydrophobicContact CB-CD2 4.47Å; V53-F122 HydrophobicContact CB-CE1 3.58Å; V53-F122 HydrophobicContact CB-CE2 4.1Å; V53-F122 HydrophobicContact CB-CG 4.46Å; V53-F122 HydrophobicContact CB-CZ 3.64Å; V53-F122 HydrophobicContact CG1-CD1 4.43Å; V53-F122 HydrophobicContact CG1-CE1 3.58Å; V53-F122 HydrophobicContact CG1-CZ 3.7Å; V53-F122 HydrophobicContact CG2-CE1 4.33Å; V53-F122 HydrophobicContact CG2-CE2 3.99Å; V53-F122 HydrophobicContact CG2-CZ 3.88Å; V53-F122 PolarHBondContact N-O 2.93Å; V53-F122 PolarHBondContact O-N 2.94Å; L97-F122 HydrophobicContact CD1-CD2 3.87Å; L97-F122 HydrophobicContact CD1-CE2 3.9Å; L97-F122 HydrophobicContact CD2-CB 4.35Å; L97-F122 HydrophobicContact CD2-CD2 3.67Å; L97-F122 HydrophobicContact CD2-CE2 4.37Å; L97-F122 HydrophobicContact CD2-CG 4.31Å; L97-F122 HydrophobicContact CG-CD2 4.45Å; F107-F122 HydrophobicContact CB-CE2 3.99Å; F107-F122 HydrophobicContact CB-CZ 3.87Å; F107-F122 HydrophobicContact CD1-CE2 4.12Å; F107-F122 HydrophobicContact CD1-CZ 4.4Å; F107-F122 HydrophobicContact CD2-CE2 4.17Å; F107-F122 AromaticContact CD2-CZ 3.64Å; F107-F122 HydrophobicContact CD2-CZ 3.64Å; F107-F122 HydrophobicContact CE2-CZ 4.19Å; F107-F122 AromaticContact CG-CE2 3.86Å; F107-F122 HydrophobicContact CG-CE2 3.86Å; F107-F122 AromaticContact CG-CZ 3.74Å; F107-F122 HydrophobicContact CG-CZ 3.74Å; H110-F122 AromaticContact CE1-CD1 3.5Å; H110-F122 VanDerWaalsContact CE1-CD1 3.5Å; H110-F122 WeakPolarHBondContact CE1-CD1 3.44Å; H110-F122 AromaticContact CE1-CE1 3.37Å; H110-F122 WeakPolarHBondContact CE1-CE1 2.94Å; H110-F122 AromaticContact CE1-CZ 3.93Å; H110-F122 AromaticContact NE2-CE1 3.75Å; H110-F122 AromaticContact NE2-CZ 3.88Å; F120-F122 HydrophobicContact CB-CD1 4.41Å; F120-F122 HydrophobicContact CB-CE1 4.07Å; F120-F122 AromaticContact CD1-CE1 3.71Å; F120-F122 HydrophobicContact CD1-CE1 3.71Å; F120-F122 HydrophobicContact CG-CE1 4.33Å; F122-V124 HydrophobicContact CD2-CG2 3.86Å; F122-V124 HydrophobicContact CE2-CG2 3.41Å; F122-V124 VanDerWaalsContact CE2-CG2 3.41Å; F122-V124 HydrophobicContact CZ-CG2 4.42Å
123	D	96.9	Very high	95.5	Very high	71 Å²	71	61.8 Å²	61.8	38%	0.38	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	143.8	176.6	-69.3	-71.9	0	0	0	111.4	L51 R52	L51-D123 WeakPolarHBondContact O-CA 3.33Å; R52-D123 WeakPolarHBondContact CA-OD1 3.47Å; R52-D123 WeakPolarHBondContact CB-OD1 3.31Å; R52-D123 WeakPolarHBondContact CD-OD1 3.48Å; R52-D123 IonicContact CZ-OD2 3.3Å; R52-D123 IonicContact NH1-OD2 3.89Å; R52-D123 PolarHBondContact NH1-OD2 3.03Å
124	V	96.4	Very high	95.2	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.006	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.8	173.9	-176.9	0	0	0	0	109	N50 L51 V53 L97 F107 F122 I126 F135	N50-V124 CarbonylContact C-O 3.56Å; N50-V124 VanDerWaalsContact CA-O 3.3Å; N50-V124 WeakPolarHBondContact CA-O 3.37Å; L51-V124 HydrophobicContact CB-CB 4.49Å; L51-V124 PolarHBondContact N-O 3.14Å; L51-V124 PolarHBondContact O-N 3.15Å; V53-V124 HydrophobicContact CG2-CG2 3.85Å; L97-V124 HydrophobicContact CD1-CG2 3.98Å; F107-V124 HydrophobicContact CD1-CG2 3.97Å; F107-V124 HydrophobicContact CE1-CG1 4.13Å; F107-V124 HydrophobicContact CE1-CG2 3.66Å; F107-V124 HydrophobicContact CZ-CG2 4.2Å; F122-V124 HydrophobicContact CD2-CG2 3.86Å; F122-V124 HydrophobicContact CE2-CG2 3.41Å; F122-V124 VanDerWaalsContact CE2-CG2 3.41Å; F122-V124 HydrophobicContact CZ-CG2 4.42Å; V124-I126 HydrophobicContact CG1-CG2 4.24Å; V124-I126 PolarHBondContact O-N 3.09Å; V124-F135 HydrophobicContact CG1-CE2 4.04Å; V124-F135 HydrophobicContact CG1-CZ 4.02Å
125	D	94.3	Very high	95.1	Very high	83 Å²	83	55.2 Å²	55.2	44%	0.444	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	120.2	168.8	-178	2	0	0	0	109.9	S127	D125-S127 VanDerWaalsContact CG-OG 3.29Å; D125-S127 WeakPolarHBondContact OD1-CB 3.42Å; D125-S127 PolarHBondContact OD1-N 2.91Å; D125-S127 PolarHBondContact OD1-OG 3.47Å; D125-S127 PolarHBondContact OD2-OG 2.82Å
126	I	93.4	Very high	95	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.031	28%	0.275	C	S	.	.			trans	-112.8	11.3	179.2	63.2	161.6	0	0	0	112.7	K46 S49 L51 V124 S128 I129 T130 F135	K46-I126 HydrophobicContact CD-CD1 4.17Å; K46-I126 HydrophobicContact CG-CD1 4.18Å; S49-I126 WeakPolarHBondContact O-CG1 3.31Å; S49-I126 PolarHBondContact O-N 2.95Å; L51-I126 HydrophobicContact CB-CD1 4.32Å; L51-I126 HydrophobicContact CB-CG1 4.5Å; L51-I126 HydrophobicContact CB-CG2 3.76Å; L51-I126 HydrophobicContact CD1-CD1 4.49Å; L51-I126 HydrophobicContact CD2-CG2 4.26Å; V124-I126 HydrophobicContact CG1-CG2 4.24Å; V124-I126 PolarHBondContact O-N 3.09Å; I126-S128 VanDerWaalsContact C-N 3.28Å; I126-S128 PolarHBondContact O-N 3.46Å; I126-I129 HydrophobicContact CB-CD1 4.18Å; I126-I129 HydrophobicContact CB-CG1 3.83Å; I126-I129 HydrophobicContact CG2-CD1 4.02Å; I126-I129 HydrophobicContact CG2-CG1 4.24Å; I126-I129 PolarHBondContact O-N 2.68Å; I126-I129 VanDerWaalsContact O-N 3.08Å; I126-T130 PolarHBondContact O-N 3.41Å; I126-T130 VanDerWaalsContact O-N 3.16Å; I126-T130 PolarHBondContact O-OG1 3.36Å; I126-T130 VanDerWaalsContact O-OG1 3.14Å; I126-F135 HydrophobicContact CG2-CE2 4.17Å; I126-F135 HydrophobicContact CG2-CZ 4.45Å
127	S	92.1	Very high	94.9	Very high	66 Å²	66	52.1 Å²	52.1	46%	0.462	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-52.7	-45.7	-179.2	58.8	0	0	0	0	112.1	S49 D125 I129	S49-S127 PolarHBondContact O-N 2.75Å; D125-S127 VanDerWaalsContact CG-OG 3.29Å; D125-S127 WeakPolarHBondContact OD1-CB 3.42Å; D125-S127 PolarHBondContact OD1-N 2.91Å; D125-S127 PolarHBondContact OD1-OG 3.47Å; D125-S127 PolarHBondContact OD2-OG 2.82Å; S127-I129 VanDerWaalsContact C-N 3.33Å; S127-I129 PolarHBondContact O-N 3.32Å
128	S	93	Very high	94.9	Very high	57 Å²	57	51.7 Å²	51.7	40%	0.399	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-71.9	-24	-178.9	63.5	0	0	0	0	113.6	F90 I126	F90-S128 WeakPolarHBondContact CZ-O 3.44Å; I126-S128 VanDerWaalsContact C-N 3.28Å; I126-S128 PolarHBondContact O-N 3.46Å
129	I	94.4	Very high	94.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-109.9	9.3	-172.3	63.5	167.8	0	0	0	115	F87 P89 F90 P104 I126 S127 K131 F132 G134 F135	F87-I129 HydrophobicContact CE1-CB 4.29Å; F87-I129 HydrophobicContact CE1-CD1 4.17Å; F87-I129 HydrophobicContact CE1-CG2 3.93Å; F87-I129 HydrophobicContact CZ-CG2 4.29Å; P89-I129 HydrophobicContact CG-CG2 4.36Å; F90-I129 HydrophobicContact CE2-CG2 3.87Å; F90-I129 HydrophobicContact CZ-CG2 4.08Å; P104-I129 HydrophobicContact CB-CD1 4.07Å; P104-I129 HydrophobicContact CB-CG2 3.46Å; P104-I129 VanDerWaalsContact CB-CG2 3.46Å; P104-I129 HydrophobicContact CG-CG2 3.44Å; P104-I129 VanDerWaalsContact CG-CG2 3.44Å; I126-I129 HydrophobicContact CB-CD1 4.18Å; I126-I129 HydrophobicContact CB-CG1 3.83Å; I126-I129 HydrophobicContact CG2-CD1 4.02Å; I126-I129 HydrophobicContact CG2-CG1 4.24Å; I126-I129 PolarHBondContact O-N 2.68Å; I126-I129 VanDerWaalsContact O-N 3.08Å; S127-I129 VanDerWaalsContact C-N 3.33Å; S127-I129 PolarHBondContact O-N 3.32Å; I129-K131 PolarHBondContact O-N 3.49Å; I129-F132 HydrophobicContact CB-CD2 4.11Å; I129-F132 HydrophobicContact CG2-CD2 4.21Å; I129-F132 PolarHBondContact O-N 2.82Å; I129-G134 PolarHBondContact O-N 3.25Å; I129-F135 HydrophobicContact CD1-CD1 3.84Å; I129-F135 HydrophobicContact CD1-CE1 3.31Å; I129-F135 HydrophobicContact CD1-CE2 4.35Å; I129-F135 HydrophobicContact CD1-CZ 3.6Å
130	T	89.9	Confident	94.9	Very high	68 Å²	68	46.4 Å²	46.4	42%	0.417	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-58.3	-33.1	178.1	-64	0	0	0	0	112.1	I126 F132 D133	I126-T130 PolarHBondContact O-N 3.41Å; I126-T130 VanDerWaalsContact O-N 3.16Å; I126-T130 PolarHBondContact O-OG1 3.36Å; I126-T130 VanDerWaalsContact O-OG1 3.14Å; T130-F132 PolarHBondContact O-N 3.33Å; T130-D133 PolarHBondContact O-N 3.12Å
131	K	91.6	Very high	94.9	Very high	157 Å²	157	46.1 Å²	46.1	68%	0.683	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-68.5	-9.5	175.6	71.1	-179.8	-176.8	179.3	0	114.9	I129	I129-K131 PolarHBondContact O-N 3.49Å
132	F	91.5	Very high	95	Very high	64 Å²	64	41 Å²	41	28%	0.281	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-110.9	19.2	179.2	-57.8	-75	0	0	0	112.1	F87 P89 F90 I129 T130 G134	F87-F132 HydrophobicContact CZ-CB 4.01Å; F87-F132 HydrophobicContact CZ-CD2 4.09Å; F87-F132 HydrophobicContact CZ-CG 4.07Å; P89-F132 HydrophobicContact CB-CD2 4.29Å; P89-F132 HydrophobicContact CB-CE1 4.13Å; P89-F132 HydrophobicContact CB-CE2 3.61Å; P89-F132 HydrophobicContact CB-CZ 3.5Å; P89-F132 VanDerWaalsContact CB-CZ 3.5Å; P89-F132 HydrophobicContact CG-CD2 4.37Å; P89-F132 HydrophobicContact CG-CE2 3.93Å; P89-F132 HydrophobicContact CG-CZ 4.33Å; F90-F132 HydrophobicContact CE1-CE2 4.01Å; F90-F132 AromaticContact CZ-CE2 3.96Å; F90-F132 HydrophobicContact CZ-CE2 3.96Å; I129-F132 HydrophobicContact CB-CD2 4.11Å; I129-F132 HydrophobicContact CG2-CD2 4.21Å; I129-F132 PolarHBondContact O-N 2.82Å; T130-F132 PolarHBondContact O-N 3.33Å; F132-G134 PolarHBondContact O-N 2.81Å
133	D	88.5	Confident	95	Very high	131 Å²	131	40.5 Å²	40.5	70%	0.701	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	29.6	-175.1	-57.4	-45.5	0	0	0	113.7	T130 F135 V136	T130-D133 PolarHBondContact O-N 3.12Å; D133-F135 PolarHBondContact O-N 3.1Å; D133-V136 PolarHBondContact O-N 3.27Å
134	G	91.1	Very high	95.1	Very high	9 Å²	9	40 Å²	40	9%	0.093	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	-118.7	-177	0	0	0	0	0	111.8	I129 F132	I129-G134 PolarHBondContact O-N 3.25Å; F132-G134 PolarHBondContact O-N 2.81Å
135	F	96.2	Very high	95.2	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.018	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	0.3	-179.3	-55.8	-49.4	0	0	0	113.8	F44 L51 I70 F87 P104 F107 V124 I126 I129 D133 G137 R138 V172	F44-F135 HydrophobicContact CE1-CD2 4.47Å; L51-F135 HydrophobicContact CD2-CD2 3.53Å; L51-F135 HydrophobicContact CD2-CE2 3.83Å; I70-F135 HydrophobicContact CB-CD1 4.06Å; I70-F135 HydrophobicContact CB-CE1 4.27Å; I70-F135 HydrophobicContact CD1-CG 4.49Å; I70-F135 HydrophobicContact CG1-CD1 3.86Å; I70-F135 HydrophobicContact CG1-CD2 4.22Å; I70-F135 HydrophobicContact CG1-CE1 4.04Å; I70-F135 HydrophobicContact CG1-CE2 4.41Å; I70-F135 HydrophobicContact CG1-CG 3.95Å; I70-F135 HydrophobicContact CG1-CZ 4.33Å; I70-F135 HydrophobicContact CG2-CB 4.28Å; I70-F135 HydrophobicContact CG2-CD1 3.73Å; I70-F135 HydrophobicContact CG2-CE1 4.39Å; I70-F135 HydrophobicContact CG2-CG 4.2Å; F87-F135 HydrophobicContact CD1-CD1 4.17Å; F87-F135 HydrophobicContact CD1-CE1 4.11Å; F87-F135 HydrophobicContact CE1-CD1 4.46Å; F87-F135 HydrophobicContact CE1-CE1 4.42Å; P104-F135 WeakPolarHBondContact O-CZ 3.49Å; F107-F135 AromaticContact CE1-CE2 3.77Å; F107-F135 HydrophobicContact CE1-CE2 3.77Å; F107-F135 AromaticContact CE1-CZ 3.83Å; F107-F135 HydrophobicContact CE1-CZ 3.83Å; F107-F135 HydrophobicContact CZ-CD2 4.09Å; F107-F135 AromaticContact CZ-CE2 3.65Å; F107-F135 HydrophobicContact CZ-CE2 3.65Å; F107-F135 HydrophobicContact CZ-CZ 4.1Å; V124-F135 HydrophobicContact CG1-CE2 4.04Å; V124-F135 HydrophobicContact CG1-CZ 4.02Å; I126-F135 HydrophobicContact CG2-CE2 4.17Å; I126-F135 HydrophobicContact CG2-CZ 4.45Å; I129-F135 HydrophobicContact CD1-CD1 3.84Å; I129-F135 HydrophobicContact CD1-CE1 3.31Å; I129-F135 HydrophobicContact CD1-CE2 4.35Å; I129-F135 HydrophobicContact CD1-CZ 3.6Å; D133-F135 PolarHBondContact O-N 3.1Å; F135-G137 PolarHBondContact O-N 2.8Å; F135-R138 VanDerWaalsContact O-CB 3.23Å; F135-R138 WeakPolarHBondContact O-CB 3.3Å; F135-R138 PolarHBondContact O-N 3.39Å; F135-R138 VanDerWaalsContact O-N 3.08Å; F135-V172 HydrophobicContact CB-CG1 4.14Å; F135-V172 HydrophobicContact CB-CG2 4.39Å; F135-V172 VanDerWaalsContact O-CB 3.3Å; F135-V172 WeakPolarHBondContact O-CB 2.95Å
136	V	95.7	Very high	95.4	Very high	45 Å²	45	46.6 Å²	46.6	27%	0.273	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	133.4	-178.1	177	0	0	0	0	110.4	D133 R138 V172 I174	D133-V136 PolarHBondContact O-N 3.27Å; V136-R138 VanDerWaalsContact C-N 3.27Å; V136-R138 PolarHBondContact O-N 2.98Å; V136-V172 WeakPolarHBondContact CA-O 3.33Å; V136-I174 HydrophobicContact CG1-CG1 3.9Å
137	G	97.4	Very high	95.6	Very high	44 Å²	44	46.4 Å²	46.4	45%	0.454	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-1.2	-178.2	0	0	0	0	0	114.9	G74 F135 V172	G74-G137 VanDerWaalsContact CA-O 3.23Å; G74-G137 WeakPolarHBondContact CA-O 3.37Å; G74-G137 PolarHBondContact N-O 3.48Å; G74-G137 VanDerWaalsContact N-O 3.08Å; F135-G137 PolarHBondContact O-N 2.8Å; G137-V172 PolarHBondContact N-O 3.17Å
138	R	98.5	Very high	95.9	Very high	36 Å²	36	44.8 Å²	44.8	14%	0.136	24%	0.236	C	C	.	.	S	Bend	trans	-94.4	169.9	175.1	-59	-170.9	-172	-73.1	-5.9	111.1	I70 H71 E72 F87 F135 V136 V171 V172	I70-R138 HydrophobicContact CG2-CB 3.54Å; I70-R138 HydrophobicContact CG2-CG 4.29Å; H71-R138 WeakPolarHBondContact O-CB 3.16Å; E72-R138 PolarHBondContact O-NH1 3.07Å; F87-R138 VanDerWaalsContact CZ-CZ 3.46Å; F87-R138 VanDerWaalsContact CZ-NH2 3.32Å; F135-R138 VanDerWaalsContact O-CB 3.23Å; F135-R138 WeakPolarHBondContact O-CB 3.3Å; F135-R138 PolarHBondContact O-N 3.39Å; F135-R138 VanDerWaalsContact O-N 3.08Å; V136-R138 VanDerWaalsContact C-N 3.27Å; V136-R138 PolarHBondContact O-N 2.98Å; R138-V171 CarbonylContact O-C 3.59Å; R138-V171 WeakPolarHBondContact O-CA 3.05Å; R138-V172 PolarHBondContact O-N 3.08Å
139	A	98.8	Very high	96.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.2	176.3	0	0	0	0	0	111.4	I70 H71 Y73 L76 A83 V141 A170	I70-A139 CarbonylContact C-O 3.58Å; I70-A139 WeakPolarHBondContact CA-O 3.42Å; H71-A139 HydrophobicContact CB-CB 4.41Å; H71-A139 PolarHBondContact N-O 3.44Å; Y73-A139 VanDerWaalsContact O-CB 3.28Å; Y73-A139 WeakPolarHBondContact O-CB 3.43Å; L76-A139 HydrophobicContact CD2-CB 3.76Å; A83-A139 HydrophobicContact CB-CB 3.76Å; A139-V141 HydrophobicContact CB-CG2 4.39Å; A139-A170 CarbonylContact C-O 3.59Å; A139-A170 WeakPolarHBondContact CA-O 3.23Å
140	M	98.9	Very high	96.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	129.1	162.7	-174.8	-180	-179.1	0	0	108.4	A31 F33 V42 F44 V68 I70 F107 F120 C169 A170 V172	A31-M140 HydrophobicContact CB-CB 4.28Å; A31-M140 HydrophobicContact CB-SD 4.31Å; F33-M140 HydrophobicContact CE2-SD 4.08Å; F33-M140 HydrophobicContact CZ-CB 4.19Å; F33-M140 HydrophobicContact CZ-CG 3.99Å; F33-M140 HydrophobicContact CZ-SD 3.96Å; V42-M140 HydrophobicContact CB-SD 4.06Å; V42-M140 HydrophobicContact CG1-CE 4.17Å; V42-M140 HydrophobicContact CG1-SD 3.98Å; V42-M140 HydrophobicContact CG2-CE 4.15Å; V42-M140 HydrophobicContact CG2-SD 4.05Å; F44-M140 HydrophobicContact CZ-SD 3.83Å; V68-M140 HydrophobicContact CG1-CE 3.44Å; V68-M140 VanDerWaalsContact CG1-CE 3.44Å; V68-M140 HydrophobicContact CG1-CG 4.23Å; I70-M140 HydrophobicContact CD1-CB 3.74Å; I70-M140 HydrophobicContact CD1-CG 3.99Å; F107-M140 HydrophobicContact CD2-CE 4.3Å; F107-M140 HydrophobicContact CE2-CE 4.43Å; F120-M140 HydrophobicContact CD1-CE 4.13Å; F120-M140 HydrophobicContact CD2-CE 4.41Å; F120-M140 HydrophobicContact CE1-CE 3.5Å; F120-M140 VanDerWaalsContact CE1-CE 3.5Å; F120-M140 HydrophobicContact CE2-CE 3.84Å; F120-M140 HydrophobicContact CZ-CE 3.31Å; M140-C169 CarbonylContact O-C 3.58Å; M140-C169 WeakPolarHBondContact O-CA 3.25Å; M140-A170 PolarHBondContact N-O 3.37Å; M140-A170 PolarHBondContact O-N 3.06Å; M140-V172 HydrophobicContact CB-CG2 4.27Å
141	V	98.9	Very high	96.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.9	-176.9	-177.1	0	0	0	0	109.5	V68 H69 H71 A139 R166 C169	V68-V141 WeakPolarHBondContact CA-O 3.47Å; H69-V141 PolarHBondContact N-O 2.96Å; H69-V141 PolarHBondContact O-N 3.17Å; H71-V141 HydrophobicContact CB-CG2 4.09Å; H71-V141 VanDerWaalsContact CD2-CB 3.44Å; H71-V141 WeakPolarHBondContact CD2-CB 3.43Å; H71-V141 WeakPolarHBondContact CD2-CG2 3.34Å; A139-V141 HydrophobicContact CB-CG2 4.39Å; V141-R166 HydrophobicContact CG1-CB 3.78Å; V141-R166 HydrophobicContact CG1-CG 3.75Å; V141-C169 HydrophobicContact CG2-CB 3.9Å
142	I	98.9	Very high	96.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.7	172.6	-57.1	175.5	0	0	0	107.2	F33 V57 L60 L66 V68 L118 F120 L167 T168	F33-I142 HydrophobicContact CE1-CD1 4.04Å; F33-I142 HydrophobicContact CE1-CG1 4.19Å; F33-I142 HydrophobicContact CZ-CD1 4.08Å; F33-I142 HydrophobicContact CZ-CG1 4.26Å; V57-I142 HydrophobicContact CB-CD1 4.04Å; V57-I142 HydrophobicContact CG1-CD1 4.05Å; V57-I142 HydrophobicContact CG2-CD1 4Å; L60-I142 HydrophobicContact CD1-CD1 4.26Å; L60-I142 HydrophobicContact CD1-CG2 4.5Å; L60-I142 HydrophobicContact CD2-CG2 4.02Å; L66-I142 HydrophobicContact CB-CG2 4.2Å; L66-I142 HydrophobicContact CD1-CG2 3.8Å; V68-I142 HydrophobicContact CG1-CG1 4.37Å; V68-I142 HydrophobicContact CG2-CG1 4.17Å; V68-I142 HydrophobicContact CG2-CG2 4.32Å; L118-I142 HydrophobicContact CD1-CG2 4.4Å; F120-I142 HydrophobicContact CE2-CD1 4.47Å; F120-I142 HydrophobicContact CZ-CD1 4.08Å; F120-I142 HydrophobicContact CZ-CG1 4.49Å; I142-L167 WeakPolarHBondContact O-CB 3.1Å; I142-L167 PolarHBondContact O-N 3.1Å; I142-T168 HydrophobicContact CB-CG2 4.16Å; I142-T168 HydrophobicContact CD1-CG2 4.09Å; I142-T168 HydrophobicContact CG1-CG2 4.39Å; I142-T168 PolarHBondContact N-O 2.8Å; I142-T168 PolarHBondContact O-N 3.11Å
143	H	98.8	Very high	97.1	Very high	9 Å²	9	52.6 Å²	52.6	4%	0.042	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	169.8	-178.2	-65.8	-106.2	0	0	0	112.3	L66 G67 H69 H71 S163 G164 K165 L167	L66-H143 VanDerWaalsContact CD2-O 3.31Å; L66-H143 WeakPolarHBondContact CD2-O 3.47Å; G67-H143 WeakPolarHBondContact O-CB 3.5Å; G67-H143 PolarHBondContact O-N 2.96Å; H69-H143 AromaticContact CE1-CD2 3.66Å; H69-H143 AromaticContact CE1-NE2 3.79Å; H69-H143 AromaticContact ND1-CD2 3.14Å; H69-H143 PolarHBondContact ND1-CD2 2.85Å; H69-H143 AromaticContact ND1-CE1 3.92Å; H69-H143 AromaticContact ND1-NE2 2.99Å; H69-H143 PolarHBondContact ND1-NE2 2.88Å; H71-H143 AromaticContact CE1-NE2 3.95Å; H71-H143 AromaticContact NE2-CE1 3.74Å; H71-H143 AromaticContact NE2-NE2 3.21Å; H71-H143 PolarHBondContact NE2-NE2 2.8Å; H143-S163 VanDerWaalsContact CB-O 3.25Å; H143-S163 WeakPolarHBondContact CB-O 3.5Å; H143-G164 PolarHBondContact ND1-O 3.44Å; H143-K165 CarbonylContact C-O 3.5Å; H143-K165 VanDerWaalsContact CA-O 3.23Å; H143-K165 WeakPolarHBondContact CA-O 3.29Å; H143-L167 WeakPolarHBondContact O-CD1 3.35Å
144	E	98.3	Very high	97.5	Very high	60 Å²	60	49.4 Å²	49.4	28%	0.28	26%	0.26	S	S	.	.	S	Bend	trans	-86	-19	-172.7	81.9	-175.1	156.1	0	0	115	L66 S163 K165 L167	L66-E144 VanDerWaalsContact CD2-C 3.48Å; L66-E144 VanDerWaalsContact CD2-O 3.27Å; L66-E144 WeakPolarHBondContact CD2-O 3.34Å; E144-S163 PolarHBondContact N-O 3.42Å; E144-K165 VanDerWaalsContact CD-CB 3.48Å; E144-K165 HydrophobicContact CG-CB 4.2Å; E144-K165 PolarHBondContact N-O 2.85Å; E144-K165 WeakPolarHBondContact OE1-CB 3.23Å; E144-K165 VanDerWaalsContact OE1-CG 3.3Å; E144-K165 WeakPolarHBondContact OE1-CG 3.33Å; E144-K165 PolarHBondContact OE1-N 3.3Å; E144-L167 HydrophobicContact CB-CD1 4.36Å; E144-L167 HydrophobicContact CB-CD2 3.67Å; E144-L167 HydrophobicContact CB-CG 3.86Å
145	K	98.6	Very high	97.8	Very high	113 Å²	113	55.1 Å²	55.1	49%	0.491	28%	0.284	S	S	.	.	S	Bend	trans	-117.9	165.1	-178	-50.3	-177.1	-178.4	173.2	0	111.4	L66 G67 S163	L66-K145 WeakPolarHBondContact CA-O 3.49Å; G67-K145 PolarHBondContact N-O 3.41Å; K145-S163 WeakPolarHBondContact CA-O 3.46Å; K145-S163 VanDerWaalsContact CB-O 3.27Å; K145-S163 WeakPolarHBondContact CB-O 3.3Å; K145-S163 PolarHBondContact N-O 3.2Å
146	E	98.7	Very high	97.8	Very high	110 Å²	110	56 Å²	56	51%	0.514	29%	0.294	S	S	.	.			trans	-62.7	135.8	164.9	-171.1	172.1	172.8	0	0	109.8	L65 N109	L65-E146 HydrophobicContact CB-CB 4.13Å; L65-E146 HydrophobicContact CB-CG 3.8Å; L65-E146 HydrophobicContact CD1-CG 4.24Å; L65-E146 WeakPolarHBondContact CD1-OE1 3.43Å; L65-E146 PolarHBondContact O-N 3.16Å; N109-E146 WeakPolarHBondContact ND2-CG 3.19Å; N109-E146 WeakPolarHBondContact OD1-CA 3.47Å; N109-E146 WeakPolarHBondContact OD1-CG 3.28Å
147	D	98.6	Very high	97.9	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.011	28%	0.281	C	S	.	.			trans	-73.4	124.9	170.6	-178.2	-8.8	0	0	0	109.4	H69 H94 N109 L149 G161 S163	H69-D147 IonicContact NE2-OD2 3.15Å; H69-D147 PolarHBondContact NE2-OD2 2.79Å; H94-D147 IonicContact CD2-OD1 3.78Å; H94-D147 IonicContact CE1-OD1 2.93Å; H94-D147 IonicContact CE1-OD2 3.72Å; H94-D147 PolarHBondContact CE1-OD2 3.44Å; H94-D147 VanDerWaalsContact CE1-OD2 3.26Å; H94-D147 IonicContact NE2-OD1 3.03Å; H94-D147 PolarHBondContact NE2-OD1 3.36Å; H94-D147 IonicContact NE2-OD2 2.94Å; H94-D147 PolarHBondContact NE2-OD2 3.08Å; N109-D147 PolarHBondContact ND2-O 2.82Å; N109-D147 WeakPolarHBondContact OD1-CB 3.2Å; N109-D147 PolarHBondContact OD1-N 2.71Å; D147-L149 HydrophobicContact CB-CD2 4.13Å; D147-L149 PolarHBondContact O-N 3.4Å; D147-L149 WeakPolarHBondContact OD1-CA 3.26Å; D147-L149 PolarHBondContact OD1-N 3.08Å; D147-G161 CarbonylContact C-O 3.56Å; D147-G161 WeakPolarHBondContact CA-O 3.49Å; D147-G161 VanDerWaalsContact OD1-CA 3.24Å; D147-G161 WeakPolarHBondContact OD1-CA 3.24Å; D147-S163 WeakPolarHBondContact CA-OG 3.34Å; D147-S163 WeakPolarHBondContact CB-OG 3.14Å
148	D	98.2	Very high	97.9	Very high	31 Å²	31	57.8 Å²	57.8	17%	0.166	28%	0.283	C	S	.	.			trans	-77.2	-2.8	176.4	71.9	24.4	0	0	0	114.1	G150 K151 M152 S157 G161 N162	D148-G150 VanDerWaalsContact C-N 3.26Å; D148-G150 PolarHBondContact O-N 3.22Å; D148-G150 PolarHBondContact OD1-N 2.95Å; D148-K151 VanDerWaalsContact O-CB 3.3Å; D148-K151 WeakPolarHBondContact O-CB 3.3Å; D148-K151 WeakPolarHBondContact O-CG 3.29Å; D148-K151 PolarHBondContact O-N 3.11Å; D148-M152 HydrophobicContact CB-CG 3.79Å; D148-M152 VanDerWaalsContact OD2-CG 3.31Å; D148-M152 WeakPolarHBondContact OD2-CG 3.22Å; D148-S157 PolarHBondContact OD1-OG 3.42Å; D148-S157 VanDerWaalsContact OD2-CB 3.28Å; D148-S157 WeakPolarHBondContact OD2-CB 3.31Å; D148-G161 PolarHBondContact N-O 3.42Å; D148-G161 WeakPolarHBondContact OD1-CA 3.01Å; D148-N162 WeakPolarHBondContact OD2-CB 3.46Å; D148-N162 PolarHBondContact OD2-ND2 3.31Å
149	L	98.1	Very high	97.9	Very high	45 Å²	45	61.7 Å²	61.7	24%	0.236	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	27.4	175.5	-47.4	173.6	0	0	0	113.3	D147 K151	D147-L149 HydrophobicContact CB-CD2 4.13Å; D147-L149 PolarHBondContact O-N 3.4Å; D147-L149 WeakPolarHBondContact OD1-CA 3.26Å; D147-L149 PolarHBondContact OD1-N 3.08Å; L149-K151 VanDerWaalsContact C-N 3.26Å; L149-K151 HydrophobicContact CB-CD 4.27Å; L149-K151 HydrophobicContact CB-CG 4.31Å; L149-K151 PolarHBondContact O-N 2.87Å
150	G	97.5	Very high	97.8	Very high	25 Å²	25	64.5 Å²	64.5	26%	0.258	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	16.6	-179.6	0	0	0	0	0	113.3	H94 D148 S157	H94-G150 PolarHBondContact CD2-N 3.16Å; D148-G150 VanDerWaalsContact C-N 3.26Å; D148-G150 PolarHBondContact O-N 3.22Å; D148-G150 PolarHBondContact OD1-N 2.95Å; G150-S157 WeakPolarHBondContact CA-O 3.43Å; G150-S157 VanDerWaalsContact CA-OG 3.28Å; G150-S157 WeakPolarHBondContact CA-OG 3.4Å; G150-S157 PolarHBondContact O-OG 2.85Å
151	K	97	Very high	97.8	Very high	161 Å²	161	64.5 Å²	64.5	70%	0.7	32%	0.318	S	S	*	.			trans	-91.4	-12	-171.6	-63.6	176.6	-179.9	173.6	0	113.8	D148 L149 S157	D148-K151 VanDerWaalsContact O-CB 3.3Å; D148-K151 WeakPolarHBondContact O-CB 3.3Å; D148-K151 WeakPolarHBondContact O-CG 3.29Å; D148-K151 PolarHBondContact O-N 3.11Å; L149-K151 VanDerWaalsContact C-N 3.26Å; L149-K151 HydrophobicContact CB-CD 4.27Å; L149-K151 HydrophobicContact CB-CG 4.31Å; L149-K151 PolarHBondContact O-N 2.87Å; K151-S157 PolarHBondContact N-OG 3.35Å
152	M	96.6	Very high	97.8	Very high	109 Å²	109	67.3 Å²	67.3	54%	0.537	33%	0.333	S	S	.	.	S	Bend	trans	-89.4	151.2	177.2	-51.8	-63.2	-72	0	0	110.7	D148 D154 S157	D148-M152 HydrophobicContact CB-CG 3.79Å; D148-M152 VanDerWaalsContact OD2-CG 3.31Å; D148-M152 WeakPolarHBondContact OD2-CG 3.22Å; M152-D154 VanDerWaalsContact CB-OD2 3.3Å; M152-D154 WeakPolarHBondContact CB-OD2 3.49Å; M152-D154 PolarHBondContact O-N 3.4Å; M152-D154 VanDerWaalsContact O-N 3.09Å; M152-S157 WeakPolarHBondContact CA-OG 3.12Å; M152-S157 PolarHBondContact N-OG 3.09Å; M152-S157 VanDerWaalsContact O-CB 3.26Å; M152-S157 WeakPolarHBondContact O-CB 3.38Å; M152-S157 PolarHBondContact O-OG 3.06Å
153	N	95.4	Very high	97.8	Very high	171 Å²	171	67.3 Å²	67.3	91%	0.914	33%	0.333	S	S	*	.	S	Bend	trans	-88.6	56.7	-176.7	-170.8	35.7	0	0	0	111.8
154	D	97.6	Very high	97.7	Very high	63 Å²	63	68.5 Å²	68.5	34%	0.337	35%	0.347	S	S	.	.	S	Bend	trans	-143.2	163.9	176.3	69.5	84.5	0	0	0	111.5	M152 G156 S157 R158 N162	M152-D154 VanDerWaalsContact CB-OD2 3.3Å; M152-D154 WeakPolarHBondContact CB-OD2 3.49Å; M152-D154 PolarHBondContact O-N 3.4Å; M152-D154 VanDerWaalsContact O-N 3.09Å; D154-G156 VanDerWaalsContact C-N 3.32Å; D154-G156 PolarHBondContact O-N 3.43Å; D154-G156 WeakPolarHBondContact OD1-CA 3.38Å; D154-G156 PolarHBondContact OD1-N 2.89Å; D154-S157 WeakPolarHBondContact O-CB 3.45Å; D154-S157 PolarHBondContact O-N 3.36Å; D154-S157 PolarHBondContact OD1-N 3.13Å; D154-R158 PolarHBondContact O-N 3.26Å; D154-N162 PolarHBondContact OD1-ND2 3.2Å; D154-N162 PolarHBondContact OD1-OD1 2.93Å; D154-N162 PolarHBondContact OD2-ND2 2.93Å; D154-N162 VanDerWaalsContact OD2-ND2 3.15Å
155	E	97.2	Very high	97.7	Very high	130 Å²	130	72.8 Å²	72.8	61%	0.607	37%	0.365	S	S	*	.	H	α-helix	trans	-67.9	-31.9	-175.8	-162.7	-172.8	175.1	0	0	112.7	R158 K159	E155-R158 PolarHBondContact O-N 2.93Å; E155-K159 HydrophobicContact CG-CD 4.01Å; E155-K159 WeakPolarHBondContact O-CB 3.44Å; E155-K159 WeakPolarHBondContact O-CG 3.12Å; E155-K159 PolarHBondContact O-N 2.66Å; E155-K159 VanDerWaalsContact OE1-CE 3.23Å; E155-K159 WeakPolarHBondContact OE1-CE 3.3Å; E155-K159 IonicContact OE1-NZ 2.86Å; E155-K159 PolarHBondContact OE1-NZ 3.43Å
156	G	97.2	Very high	97.7	Very high	22 Å²	22	70 Å²	70	23%	0.227	35%	0.351	C	S	.	.	H	α-helix	trans	-67.9	-42.7	178.2	0	0	0	0	0	111.6	D154 K159 T160 G161 N162	D154-G156 VanDerWaalsContact C-N 3.32Å; D154-G156 PolarHBondContact O-N 3.43Å; D154-G156 WeakPolarHBondContact OD1-CA 3.38Å; D154-G156 PolarHBondContact OD1-N 2.89Å; G156-K159 PolarHBondContact O-N 2.88Å; G156-T160 CarbonylContact O-C 3.53Å; G156-T160 WeakPolarHBondContact O-CA 3.09Å; G156-T160 PolarHBondContact O-N 2.85Å; G156-T160 PolarHBondContact O-OG1 3.24Å; G156-G161 PolarHBondContact O-N 3.32Å; G156-G161 VanDerWaalsContact O-N 3.11Å; G156-N162 WeakPolarHBondContact CA-OD1 3.08Å; G156-N162 PolarHBondContact O-N 3.16Å
157	S	97.6	Very high	97.7	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-55.7	-52.4	171.3	163.2	0	0	0	0	111.1	H94 D148 G150 K151 M152 D154 K159 G161 N162	H94-S157 PolarHBondContact CD2-O 3.14Å; H94-S157 VanDerWaalsContact CD2-O 3.3Å; D148-S157 PolarHBondContact OD1-OG 3.42Å; D148-S157 VanDerWaalsContact OD2-CB 3.28Å; D148-S157 WeakPolarHBondContact OD2-CB 3.31Å; G150-S157 WeakPolarHBondContact CA-O 3.43Å; G150-S157 VanDerWaalsContact CA-OG 3.28Å; G150-S157 WeakPolarHBondContact CA-OG 3.4Å; G150-S157 PolarHBondContact O-OG 2.85Å; K151-S157 PolarHBondContact N-OG 3.35Å; M152-S157 WeakPolarHBondContact CA-OG 3.12Å; M152-S157 PolarHBondContact N-OG 3.09Å; M152-S157 VanDerWaalsContact O-CB 3.26Å; M152-S157 WeakPolarHBondContact O-CB 3.38Å; M152-S157 PolarHBondContact O-OG 3.06Å; D154-S157 WeakPolarHBondContact O-CB 3.45Å; D154-S157 PolarHBondContact O-N 3.36Å; D154-S157 PolarHBondContact OD1-N 3.13Å; S157-K159 VanDerWaalsContact C-N 3.26Å; S157-K159 PolarHBondContact O-N 3.17Å; S157-G161 PolarHBondContact O-N 3.29Å; S157-G161 VanDerWaalsContact O-N 3.14Å; S157-N162 PolarHBondContact N-ND2 3.19Å; S157-N162 VanDerWaalsContact N-ND2 3.14Å
158	R	97.1	Very high	97.7	Very high	127 Å²	127	66.2 Å²	66.2	48%	0.479	33%	0.334	S	S	.	.	H	α-helix	trans	-64.4	-24	-179.3	-72.8	-178.6	59.1	154	2.6	115	D93 H94 D154 E155	D93-R158 VanDerWaalsContact CG-NH2 3.29Å; D93-R158 IonicContact OD1-CZ 3.23Å; D93-R158 VanDerWaalsContact OD1-CZ 3.3Å; D93-R158 IonicContact OD1-NE 3.8Å; D93-R158 PolarHBondContact OD1-NE 3.41Å; D93-R158 IonicContact OD1-NH2 3.62Å; D93-R158 PolarHBondContact OD1-NH2 2.79Å; D93-R158 IonicContact OD2-CZ 3.26Å; D93-R158 IonicContact OD2-NE 2.71Å; D93-R158 PolarHBondContact OD2-NE 2.96Å; D93-R158 IonicContact OD2-NH2 3.3Å; D93-R158 PolarHBondContact OD2-NH2 2.59Å; H94-R158 VanDerWaalsContact CB-O 3.22Å; H94-R158 WeakPolarHBondContact CB-O 3.5Å; H94-R158 PolarHBondContact N-O 3.44Å; D154-R158 PolarHBondContact O-N 3.26Å; E155-R158 PolarHBondContact O-N 2.93Å
159	K	97.8	Very high	97.7	Very high	117 Å²	117	65 Å²	65	51%	0.509	33%	0.328	S	S	.	.	H	α-helix	trans	-106.1	-34.2	-175.2	-71.7	-176.1	174.4	-179.8	0	114.1	H103 E155 G156 S157	H103-K159 PolarHBondContact CE1-O 3.01Å; E155-K159 HydrophobicContact CG-CD 4.01Å; E155-K159 WeakPolarHBondContact O-CB 3.44Å; E155-K159 WeakPolarHBondContact O-CG 3.12Å; E155-K159 PolarHBondContact O-N 2.66Å; E155-K159 VanDerWaalsContact OE1-CE 3.23Å; E155-K159 WeakPolarHBondContact OE1-CE 3.3Å; E155-K159 IonicContact OE1-NZ 2.86Å; E155-K159 PolarHBondContact OE1-NZ 3.43Å; G156-K159 PolarHBondContact O-N 2.88Å; S157-K159 VanDerWaalsContact C-N 3.26Å; S157-K159 PolarHBondContact O-N 3.17Å
160	T	97.7	Very high	97.8	Very high	59 Å²	59	62.8 Å²	62.8	36%	0.362	32%	0.317	S	S	.	.	H	α-helix	trans	-142.4	1.5	-166.9	67	0	0	0	0	113.8	G156 N162 S163	G156-T160 CarbonylContact O-C 3.53Å; G156-T160 WeakPolarHBondContact O-CA 3.09Å; G156-T160 PolarHBondContact O-N 2.85Å; G156-T160 PolarHBondContact O-OG1 3.24Å; T160-N162 PolarHBondContact O-N 3.08Å; T160-S163 PolarHBondContact O-N 3.12Å; T160-S163 PolarHBondContact O-OG 3.31Å
161	G	98.3	Very high	97.8	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	17.4	-177.1	0	0	0	0	0	113.8	H94 D147 D148 G156 S157 S163	H94-G161 WeakPolarHBondContact CD2-CA 3.38Å; H94-G161 PolarHBondContact CD2-N 3.11Å; H94-G161 VanDerWaalsContact CD2-N 3.25Å; H94-G161 VanDerWaalsContact NE2-CA 3.34Å; H94-G161 WeakPolarHBondContact NE2-CA 2.98Å; D147-G161 CarbonylContact C-O 3.56Å; D147-G161 WeakPolarHBondContact CA-O 3.49Å; D147-G161 VanDerWaalsContact OD1-CA 3.24Å; D147-G161 WeakPolarHBondContact OD1-CA 3.24Å; D148-G161 PolarHBondContact N-O 3.42Å; D148-G161 WeakPolarHBondContact OD1-CA 3.01Å; G156-G161 PolarHBondContact O-N 3.32Å; G156-G161 VanDerWaalsContact O-N 3.11Å; S157-G161 PolarHBondContact O-N 3.29Å; S157-G161 VanDerWaalsContact O-N 3.14Å; G161-S163 PolarHBondContact O-N 3.14Å
162	N	98.5	Very high	97.9	Very high	60 Å²	60	56.4 Å²	56.4	32%	0.321	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	27.4	-174.8	-73.6	-46.9	0	0	0	115.2	D148 D154 G156 S157 T160 G164	D148-N162 WeakPolarHBondContact OD2-CB 3.46Å; D148-N162 PolarHBondContact OD2-ND2 3.31Å; D154-N162 PolarHBondContact OD1-ND2 3.2Å; D154-N162 PolarHBondContact OD1-OD1 2.93Å; D154-N162 PolarHBondContact OD2-ND2 2.93Å; D154-N162 VanDerWaalsContact OD2-ND2 3.15Å; G156-N162 WeakPolarHBondContact CA-OD1 3.08Å; G156-N162 PolarHBondContact O-N 3.16Å; S157-N162 PolarHBondContact N-ND2 3.19Å; S157-N162 VanDerWaalsContact N-ND2 3.14Å; T160-N162 PolarHBondContact O-N 3.08Å; N162-G164 PolarHBondContact O-N 3.21Å
163	S	98.4	Very high	97.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.273	C	S	.	.			trans	-69.4	-6.7	-171.7	-63.6	0	0	0	0	115	H69 H143 E144 K145 D147 T160 G161	H69-S163 PolarHBondContact CE1-OG 3.01Å; H69-S163 VanDerWaalsContact CE1-OG 3.26Å; H143-S163 VanDerWaalsContact CB-O 3.25Å; H143-S163 WeakPolarHBondContact CB-O 3.5Å; E144-S163 PolarHBondContact N-O 3.42Å; K145-S163 WeakPolarHBondContact CA-O 3.46Å; K145-S163 VanDerWaalsContact CB-O 3.27Å; K145-S163 WeakPolarHBondContact CB-O 3.3Å; K145-S163 PolarHBondContact N-O 3.2Å; D147-S163 WeakPolarHBondContact CA-OG 3.34Å; D147-S163 WeakPolarHBondContact CB-OG 3.14Å; T160-S163 PolarHBondContact O-N 3.12Å; T160-S163 PolarHBondContact O-OG 3.31Å; G161-S163 PolarHBondContact O-N 3.14Å
164	G	98	Very high	97.8	Very high	33 Å²	33	51 Å²	51	34%	0.34	26%	0.264	S	S	.	.			trans	77.9	-159	174.1	0	0	0	0	0	114.4	H143 N162	H143-G164 PolarHBondContact ND1-O 3.44Å; N162-G164 PolarHBondContact O-N 3.21Å
165	K	98.1	Very high	97.5	Very high	151 Å²	151	51.8 Å²	51.8	66%	0.657	26%	0.262	S	S	*	.	S	Bend	trans	-61.4	155.1	-176.2	-63.6	176.6	-179	-176.2	0	112.1	H143 E144	H143-K165 CarbonylContact C-O 3.5Å; H143-K165 VanDerWaalsContact CA-O 3.23Å; H143-K165 WeakPolarHBondContact CA-O 3.29Å; E144-K165 VanDerWaalsContact CD-CB 3.48Å; E144-K165 HydrophobicContact CG-CB 4.2Å; E144-K165 PolarHBondContact N-O 2.85Å; E144-K165 WeakPolarHBondContact OE1-CB 3.23Å; E144-K165 VanDerWaalsContact OE1-CG 3.3Å; E144-K165 WeakPolarHBondContact OE1-CG 3.33Å; E144-K165 PolarHBondContact OE1-N 3.3Å
166	R	98.6	Very high	96.7	Very high	53 Å²	53	56.3 Å²	56.3	20%	0.2	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	115.1	176	-52.1	178.7	-167.4	-150.5	-6.4	108.1	H71 C80 N81 G84 V141	H71-R166 PolarHBondContact ND1-NH1 2.77Å; C80-R166 HydrophobicContact CB-CB 3.88Å; C80-R166 HydrophobicContact CB-CG 4.39Å; C80-R166 WeakPolarHBondContact O-CD 3.23Å; C80-R166 PolarHBondContact O-NH1 3.11Å; N81-R166 PolarHBondContact O-NH1 2.78Å; N81-R166 PolarHBondContact OD1-NE 3.26Å; G84-R166 PolarHBondContact O-NH1 2.94Å; G84-R166 VanDerWaalsContact O-NH1 3.09Å; G84-R166 PolarHBondContact O-NH2 2.81Å; V141-R166 HydrophobicContact CG1-CB 3.78Å; V141-R166 HydrophobicContact CG1-CG 3.75Å
167	L	98.6	Very high	95.3	Very high	32 Å²	32	57 Å²	57	17%	0.168	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-47.9	176.7	-67.6	179.3	0	0	0	110.6	Y38 L60 P61 L66 I142 H143 E144	Y38-L167 HydrophobicContact CE1-CB 4.35Å; Y38-L167 HydrophobicContact CE2-CB 4.43Å; Y38-L167 WeakPolarHBondContact CE2-O 3.29Å; L60-L167 HydrophobicContact CD2-CB 4.49Å; L60-L167 HydrophobicContact CD2-CD1 3.89Å; P61-L167 HydrophobicContact CG-CD1 4.25Å; L66-L167 HydrophobicContact CD1-CD1 3.83Å; L66-L167 HydrophobicContact CD2-CD1 4.46Å; I142-L167 WeakPolarHBondContact O-CB 3.1Å; I142-L167 PolarHBondContact O-N 3.1Å; H143-L167 WeakPolarHBondContact O-CD1 3.35Å; E144-L167 HydrophobicContact CB-CD1 4.36Å; E144-L167 HydrophobicContact CB-CD2 3.67Å; E144-L167 HydrophobicContact CB-CG 3.86Å
168	T	98.8	Very high	93.7	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.006	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	161.2	-179	-166.6	0	0	0	0	110.9	F33 Y38 I142	F33-T168 HydrophobicContact CD1-CG2 3.46Å; F33-T168 VanDerWaalsContact CD1-CG2 3.46Å; F33-T168 HydrophobicContact CE1-CG2 3.76Å; F33-T168 HydrophobicContact CG-CG2 4.49Å; Y38-T168 HydrophobicContact CD1-CG2 4.46Å; Y38-T168 VanDerWaalsContact CD2-CB 3.49Å; Y38-T168 HydrophobicContact CD2-CG2 4.22Å; Y38-T168 HydrophobicContact CG-CG2 3.95Å; I142-T168 HydrophobicContact CB-CG2 4.16Å; I142-T168 HydrophobicContact CD1-CG2 4.09Å; I142-T168 HydrophobicContact CG1-CG2 4.39Å; I142-T168 PolarHBondContact N-O 2.8Å; I142-T168 PolarHBondContact O-N 3.11Å
169	C	98.9	Very high	93.5	Very high	5 Å²	5	62.4 Å²	62.4	3%	0.034	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	156.3	-180	55.3	0	0	0	0	111.2	L76 C80 M140 V141	L76-C169 HydrophobicContact CD2-CB 4.04Å; C80-C169 VanDerWaalsContact CA-SG 3.54Å; C80-C169 HydrophobicContact CB-CB 3.6Å; C80-C169 WeakPolarHBondContact CB-SG 3.44Å; C80-C169 WeakPolarHBondContact SG-CB 3.36Å; C80-C169 PolarHBondContact SG-N 2.99Å; C80-C169 CovalentContact SG-SG 2.02Å; C80-C169 PolarHBondContact SG-SG 2.96Å; M140-C169 CarbonylContact O-C 3.58Å; M140-C169 WeakPolarHBondContact O-CA 3.25Å; V141-C169 HydrophobicContact CG2-CB 3.9Å
170	A	98.9	Very high	93.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	143.4	175.5	0	0	0	0	0	110.5	A31 T32 F33 A139 M140	A31-A170 HydrophobicContact CB-CB 3.94Å; T32-A170 VanDerWaalsContact O-CB 3.27Å; T32-A170 WeakPolarHBondContact O-CB 3.38Å; F33-A170 HydrophobicContact CD1-CB 3.88Å; F33-A170 HydrophobicContact CD2-CB 3.91Å; F33-A170 HydrophobicContact CE1-CB 3.92Å; F33-A170 HydrophobicContact CE2-CB 3.93Å; F33-A170 HydrophobicContact CG-CB 3.9Å; F33-A170 HydrophobicContact CZ-CB 3.95Å; A139-A170 CarbonylContact C-O 3.59Å; A139-A170 WeakPolarHBondContact CA-O 3.23Å; M140-A170 PolarHBondContact N-O 3.37Å; M140-A170 PolarHBondContact O-N 3.06Å
171	V	98.6	Very high	93.1	Very high	52 Å²	52	59.5 Å²	59.5	32%	0.315	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	134.1	172.1	179.8	0	0	0	0	109	A31 G74 L76 R138 G173	A31-V171 WeakPolarHBondContact CA-O 3.4Å; G74-V171 WeakPolarHBondContact O-CG2 3.38Å; L76-V171 HydrophobicContact CD1-CG2 3.89Å; L76-V171 HydrophobicContact CD2-CG2 3.85Å; L76-V171 HydrophobicContact CG-CG2 3.78Å; R138-V171 CarbonylContact O-C 3.59Å; R138-V171 WeakPolarHBondContact O-CA 3.05Å; V171-G173 PolarHBondContact O-N 3.06Å; V171-G173 VanDerWaalsContact O-N 3.11Å
172	V	98.5	Very high	92.7	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	91.4	166.5	-178.2	0	0	0	0	107.8	I30 A31 F44 I70 F135 V136 G137 R138 M140	I30-V172 CarbonylContact O-C 3.48Å; I30-V172 WeakPolarHBondContact O-CA 3.42Å; A31-V172 HydrophobicContact CB-CG2 4.28Å; F44-V172 HydrophobicContact CD2-CG1 4.07Å; F44-V172 HydrophobicContact CE2-CG1 4.03Å; F44-V172 HydrophobicContact CE2-CG2 4Å; F44-V172 HydrophobicContact CZ-CG1 4.47Å; F44-V172 HydrophobicContact CZ-CG2 3.93Å; I70-V172 HydrophobicContact CD1-CG2 4.16Å; F135-V172 HydrophobicContact CB-CG1 4.14Å; F135-V172 HydrophobicContact CB-CG2 4.39Å; F135-V172 VanDerWaalsContact O-CB 3.3Å; F135-V172 WeakPolarHBondContact O-CB 2.95Å; V136-V172 WeakPolarHBondContact CA-O 3.33Å; G137-V172 PolarHBondContact N-O 3.17Å; R138-V172 PolarHBondContact O-N 3.08Å; M140-V172 HydrophobicContact CB-CG2 4.27Å
173	G	96.7	Very high	92.4	Very high	25 Å²	25	63.2 Å²	63.2	26%	0.258	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	171.7	177.3	0	0	0	0	0	112.9	S29 I30 V171	S29-G173 CarbonylContact C-O 3.52Å; S29-G173 WeakPolarHBondContact CA-O 3.31Å; S29-G173 WeakPolarHBondContact CB-O 3.44Å; I30-G173 PolarHBondContact N-O 3.29Å; I30-G173 PolarHBondContact O-N 3.47Å; V171-G173 PolarHBondContact O-N 3.06Å; V171-G173 VanDerWaalsContact O-N 3.11Å
174	I	93.9	Very high	92	Very high	141 Å²	141	67.4 Å²	67.4	72%	0.723	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	131.5	172.3	-60.6	172.6	0	0	0	108.6	V136	V136-I174 HydrophobicContact CG1-CG1 3.9Å
175	W	90.1	Very high	91.6	Very high	80 Å²	80	69.9 Å²	69.9	30%	0.303	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-102.4	130	173.8	-174.6	42.1	0	0	0	110.1	F28 I30 Y43 A177	F28-W175 HydrophobicContact CB-CB 4.04Å; F28-W175 HydrophobicContact CB-CD2 4.31Å; F28-W175 HydrophobicContact CB-CE3 3.66Å; F28-W175 HydrophobicContact CB-CZ3 4.4Å; F28-W175 AromaticContact CD1-CE3 3.76Å; F28-W175 HydrophobicContact CD1-CE3 3.76Å; F28-W175 AromaticContact CD1-CZ3 3.66Å; F28-W175 HydrophobicContact CD1-CZ3 3.66Å; F28-W175 HydrophobicContact CE1-CZ3 4.22Å; F28-W175 AromaticContact CG-CE3 3.98Å; F28-W175 HydrophobicContact CG-CE3 3.98Å; F28-W175 HydrophobicContact CG-CZ3 4.24Å; F28-W175 PolarHBondContact O-N 3.15Å; I30-W175 HydrophobicContact CB-CB 3.83Å; I30-W175 HydrophobicContact CB-CG 4.16Å; I30-W175 HydrophobicContact CG2-CB 3.76Å; I30-W175 HydrophobicContact CG2-CG 4.29Å; Y43-W175 AromaticContact CD1-CD2 3.89Å; Y43-W175 HydrophobicContact CD1-CD2 3.89Å; Y43-W175 AromaticContact CD1-CE3 3.76Å; Y43-W175 HydrophobicContact CD1-CE3 3.76Å; Y43-W175 HydrophobicContact CD1-CH2 4.37Å; Y43-W175 HydrophobicContact CD1-CZ2 4.41Å; Y43-W175 HydrophobicContact CD1-CZ3 4.05Å; Y43-W175 HydrophobicContact CE1-CD2 4.09Å; Y43-W175 AromaticContact CE1-CE2 3.9Å; Y43-W175 HydrophobicContact CE1-CE3 4.34Å; Y43-W175 HydrophobicContact CE1-CH2 4.44Å; Y43-W175 HydrophobicContact CE1-CZ2 4.11Å; W175-A177 HydrophobicContact CH2-CB 4.39Å; W175-A177 HydrophobicContact CZ3-CB 4.34Å; W175-A177 PolarHBondContact O-N 3.25Å
176	R	80.3	Confident	91	Very high	224 Å²	224	63.6 Å²	63.6	85%	0.845	34%	0.338	S	S	*	.			trans	-84.6	102.3	165.9	-178.4	179.1	167.7	136.8	-1.4	107.4	S178	R176-S178 PolarHBondContact O-N 3.34Å
177	A	68.9	Low	90.4	Very high	38 Å²	38	64.5 Å²	64.5	31%	0.314	35%	0.35	S	S	.	.			trans	-57.1	121.8	165.3	0	0	0	0	0	108.3	F28 W175	F28-A177 HydrophobicContact CD1-CB 4.33Å; F28-A177 HydrophobicContact CD2-CB 3.55Å; F28-A177 HydrophobicContact CE1-CB 4.36Å; F28-A177 HydrophobicContact CE2-CB 3.6Å; F28-A177 HydrophobicContact CG-CB 3.92Å; F28-A177 HydrophobicContact CZ-CB 4.01Å; W175-A177 HydrophobicContact CH2-CB 4.39Å; W175-A177 HydrophobicContact CZ3-CB 4.34Å; W175-A177 PolarHBondContact O-N 3.25Å
178	S	62.9	Low	89.7	Confident	176 Å²	176	67.5 Å²	67.5	100%	1.231	37%	0.366	S	S	*	.			trans	-74.8	0	176.6	54	0	0	0	0	111.3	R176	R176-S178 PolarHBondContact O-N 3.34Å

Retrieved 178 of 178 residues in 363.1 ms (Link to these results)

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