A0A5K4F854_SCHMA Loading...

Stromal cell-derived factor 2

AlphaFold DB , UniProt , Accession A0A5K4F854, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 213 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	51.6	Low	55	Low	223 Å²	223	131.1 Å²	131.1	100%	1.099	67%	0.665	S	S	*	*				0	62.4	0	-170.3	177.7	83.6	0	0	109.8
2	F	55	Low	55.2	Low	198 Å²	198	127.8 Å²	127.8	87%	0.868	66%	0.656	S	S	*	*			trans	-139	-0.2	-176.1	-80.6	-70.5	0	0	0	114.8
3	L	54.1	Low	55.2	Low	153 Å²	153	127.6 Å²	127.6	80%	0.801	65%	0.648	S	S	*	*	S	Bend	trans	-96.2	-10.3	-170.4	-146.6	73.1	0	0	0	115.1
4	V	55.9	Low	55.2	Low	121 Å²	121	126 Å²	126	73%	0.733	64%	0.64	S	S	*	*	S	Bend	trans	-91.7	-22.1	-172.3	-170.2	0	0	0	0	113.2
5	F	53.6	Low	55.4	Low	154 Å²	154	126.6 Å²	126.6	68%	0.675	64%	0.636	S	S	*	*	H	α-helix	trans	-75.7	-26.3	-176.6	-79.6	-76.8	0	0	0	114.1	S8 F9	F5-S8 PolarHBondContact O-OG 3.48Å; F5-F9 WeakPolarHBondContact O-CD2 3.35Å; F5-F9 PolarHBondContact O-N 2.98Å
6	A	55.7	Low	55.5	Low	59 Å²	59	123.9 Å²	123.9	49%	0.488	62%	0.621	S	S	.	*	H	α-helix	trans	-66.7	-42.4	-178.2	0	0	0	0	0	112.1	S8 F9 F10	A6-S8 PolarHBondContact O-N 3.31Å; A6-F9 PolarHBondContact O-N 3.41Å; A6-F10 WeakPolarHBondContact O-CD2 3.37Å; A6-F10 PolarHBondContact O-N 3.16Å; A6-F10 VanDerWaalsContact O-N 3.16Å
7	L	54.6	Low	55.4	Low	120 Å²	120	118.1 Å²	118.1	63%	0.628	60%	0.595	S	S	*	*	H	α-helix	trans	-63.2	-39.4	-178.4	-88.6	147.3	0	0	0	112.8	F9 F10 I11	L7-F9 PolarHBondContact O-N 3.06Å; L7-F10 PolarHBondContact O-N 3.45Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.5Å; L7-I11 PolarHBondContact O-N 3.02Å
8	S	57.9	Low	55.7	Low	54 Å²	54	116.4 Å²	116.4	38%	0.378	59%	0.592	S	S	.	*	H	α-helix	trans	-65.7	-39.9	179.2	57.1	0	0	0	0	112	F5 A6 I11 V12	F5-S8 PolarHBondContact O-OG 3.48Å; A6-S8 PolarHBondContact O-N 3.31Å; S8-I11 PolarHBondContact O-N 2.89Å; S8-V12 WeakPolarHBondContact O-CB 3.27Å; S8-V12 WeakPolarHBondContact O-CG2 3.21Å; S8-V12 PolarHBondContact O-N 3.48Å
9	F	54.1	Low	56.3	Low	124 Å²	124	112.1 Å²	112.1	54%	0.544	57%	0.573	S	S	.	*	H	α-helix	trans	-64.5	-47.3	177	-87.1	-78.1	0	0	0	111.3	F5 A6 L7 I11 V12 F13	F5-F9 WeakPolarHBondContact O-CD2 3.35Å; F5-F9 PolarHBondContact O-N 2.98Å; A6-F9 PolarHBondContact O-N 3.41Å; L7-F9 PolarHBondContact O-N 3.06Å; F9-I11 VanDerWaalsContact C-N 3.34Å; F9-I11 PolarHBondContact O-N 3.18Å; F9-V12 PolarHBondContact O-N 3.27Å; F9-F13 HydrophobicContact CB-CD2 4.33Å; F9-F13 HydrophobicContact CB-CE2 4.37Å; F9-F13 HydrophobicContact CD1-CD2 4.44Å; F9-F13 AromaticContact CD1-CE2 3.8Å; F9-F13 HydrophobicContact CD1-CE2 3.8Å; F9-F13 WeakPolarHBondContact O-CD2 3.12Å; F9-F13 PolarHBondContact O-N 3.37Å
10	F	53.2	Low	57.1	Low	148 Å²	148	107.1 Å²	107.1	65%	0.649	55%	0.547	S	S	*	.	H	α-helix	trans	-58.8	-43.1	177.8	-87.6	-79.3	0	0	0	112.7	A6 L7 V12 F13 I14	A6-F10 WeakPolarHBondContact O-CD2 3.37Å; A6-F10 PolarHBondContact O-N 3.16Å; A6-F10 VanDerWaalsContact O-N 3.16Å; L7-F10 PolarHBondContact O-N 3.45Å; F10-V12 PolarHBondContact O-N 2.98Å; F10-F13 PolarHBondContact O-N 3.49Å; F10-I14 WeakPolarHBondContact O-CG1 3.38Å; F10-I14 PolarHBondContact O-N 3.24Å
11	I	58.7	Low	58.1	Low	88 Å²	88	108.2 Å²	108.2	45%	0.451	55%	0.55	S	S	.	*	H	α-helix	trans	-64.9	-40	177.7	-66.3	166.8	0	0	0	111.2	L7 S8 F9 K15	L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.5Å; L7-I11 PolarHBondContact O-N 3.02Å; S8-I11 PolarHBondContact O-N 2.89Å; F9-I11 VanDerWaalsContact C-N 3.34Å; F9-I11 PolarHBondContact O-N 3.18Å; I11-K15 HydrophobicContact CG2-CD 4.3Å; I11-K15 VanDerWaalsContact O-CG 3.26Å; I11-K15 WeakPolarHBondContact O-CG 3.46Å; I11-K15 PolarHBondContact O-N 3.49Å
12	V	58.3	Low	59.9	Low	92 Å²	92	99.1 Å²	99.1	56%	0.558	51%	0.514	S	S	*	.	H	α-helix	trans	-64.8	-44	176	172	0	0	0	0	110.7	S8 F9 F10 K15 E16	S8-V12 WeakPolarHBondContact O-CB 3.27Å; S8-V12 WeakPolarHBondContact O-CG2 3.21Å; S8-V12 PolarHBondContact O-N 3.48Å; F9-V12 PolarHBondContact O-N 3.27Å; F10-V12 PolarHBondContact O-N 2.98Å; V12-K15 PolarHBondContact O-N 3.4Å; V12-E16 PolarHBondContact O-N 3.33Å
13	F	54.5	Low	61.9	Low	125 Å²	125	89.8 Å²	89.8	55%	0.548	47%	0.473	S	S	.	.	H	α-helix	trans	-68.8	-37.3	-178.3	-82.5	-67.9	0	0	0	114	F9 F10 E16 S17 K205	F9-F13 HydrophobicContact CB-CD2 4.33Å; F9-F13 HydrophobicContact CB-CE2 4.37Å; F9-F13 HydrophobicContact CD1-CD2 4.44Å; F9-F13 AromaticContact CD1-CE2 3.8Å; F9-F13 HydrophobicContact CD1-CE2 3.8Å; F9-F13 WeakPolarHBondContact O-CD2 3.12Å; F9-F13 PolarHBondContact O-N 3.37Å; F10-F13 PolarHBondContact O-N 3.49Å; F13-E16 PolarHBondContact O-N 3.21Å; F13-S17 PolarHBondContact O-N 2.64Å; F13-S17 PolarHBondContact O-OG 3.3Å; F13-S17 VanDerWaalsContact O-OG 3.07Å; F13-K205 PolarHBondContact O-NZ 2.75Å
14	I	55.8	Low	64	Low	105 Å²	105	82.5 Å²	82.5	54%	0.538	44%	0.435	S	S	.	.	H	α-helix	trans	-64.5	-44.1	175.3	-70	172.4	0	0	0	110.2	F10 E16 S17 T18	F10-I14 WeakPolarHBondContact O-CG1 3.38Å; F10-I14 PolarHBondContact O-N 3.24Å; I14-E16 VanDerWaalsContact C-N 3.29Å; I14-E16 PolarHBondContact O-N 2.89Å; I14-S17 WeakPolarHBondContact CA-OG 3.26Å; I14-S17 PolarHBondContact O-N 3.19Å; I14-S17 PolarHBondContact O-OG 3.02Å; I14-T18 HydrophobicContact CG2-CG2 4.49Å; I14-T18 PolarHBondContact O-N 3.47Å; I14-T18 PolarHBondContact O-OG1 3.14Å
15	K	57.5	Low	65.9	Low	135 Å²	135	76.8 Å²	76.8	59%	0.587	40%	0.4	S	S	*	.	H	α-helix	trans	-56.5	-43.5	178.6	-76.8	176.7	179.2	-174.6	0	111.8	I11 V12 T18 S19	I11-K15 HydrophobicContact CG2-CD 4.3Å; I11-K15 VanDerWaalsContact O-CG 3.26Å; I11-K15 WeakPolarHBondContact O-CG 3.46Å; I11-K15 PolarHBondContact O-N 3.49Å; V12-K15 PolarHBondContact O-N 3.4Å; K15-T18 PolarHBondContact O-N 3.06Å; K15-T18 PolarHBondContact O-OG1 3.49Å; K15-S19 WeakPolarHBondContact O-CB 3.38Å; K15-S19 PolarHBondContact O-N 2.82Å
16	E	57.1	Low	68	Low	84 Å²	84	69.4 Å²	69.4	39%	0.393	37%	0.368	S	S	.	.	H	α-helix	trans	-63.6	-44.6	179.1	-163.3	64.1	-160.1	0	0	111.9	V12 F13 I14 S19 Q20 Y142	V12-E16 PolarHBondContact O-N 3.33Å; F13-E16 PolarHBondContact O-N 3.21Å; I14-E16 VanDerWaalsContact C-N 3.29Å; I14-E16 PolarHBondContact O-N 2.89Å; E16-S19 WeakPolarHBondContact O-CB 3.42Å; E16-S19 PolarHBondContact O-N 3.35Å; E16-S19 VanDerWaalsContact O-N 3.14Å; E16-S19 PolarHBondContact O-OG 3.37Å; E16-Q20 PolarHBondContact O-N 2.94Å; E16-Y142 PolarHBondContact OE1-OH 3.43Å
17	S	54.1	Low	70	Confident	25 Å²	25	67.3 Å²	67.3	18%	0.175	35%	0.352	C	S	.	.	H	α-helix	trans	-61.4	-46.7	176.7	19.8	0	0	0	0	113.1	F13 I14 S19 Q20 Q21 K205	F13-S17 PolarHBondContact O-N 2.64Å; F13-S17 PolarHBondContact O-OG 3.3Å; F13-S17 VanDerWaalsContact O-OG 3.07Å; I14-S17 WeakPolarHBondContact CA-OG 3.26Å; I14-S17 PolarHBondContact O-N 3.19Å; I14-S17 PolarHBondContact O-OG 3.02Å; S17-S19 PolarHBondContact O-N 3.17Å; S17-Q20 PolarHBondContact O-N 3.07Å; S17-Q21 PolarHBondContact O-N 3.3Å; S17-K205 VanDerWaalsContact CB-NZ 3.27Å; S17-K205 PolarHBondContact OG-NZ 2.82Å
18	T	60.1	Low	72.1	Confident	88 Å²	88	61.6 Å²	61.6	54%	0.54	32%	0.322	S	S	.	.	H	α-helix	trans	-64.8	-25.6	177.7	50.7	0	0	0	0	111.9	I14 K15	I14-T18 HydrophobicContact CG2-CG2 4.49Å; I14-T18 PolarHBondContact O-N 3.47Å; I14-T18 PolarHBondContact O-OG1 3.14Å; K15-T18 PolarHBondContact O-N 3.06Å; K15-T18 PolarHBondContact O-OG1 3.49Å
19	S	68.5	Low	74	Confident	33 Å²	33	60.1 Å²	60.1	23%	0.231	31%	0.311	C	S	.	.	H	α-helix	trans	-73.4	-28.5	179	83.4	0	0	0	0	113.4	K15 E16 S17	K15-S19 WeakPolarHBondContact O-CB 3.38Å; K15-S19 PolarHBondContact O-N 2.82Å; E16-S19 WeakPolarHBondContact O-CB 3.42Å; E16-S19 PolarHBondContact O-N 3.35Å; E16-S19 VanDerWaalsContact O-N 3.14Å; E16-S19 PolarHBondContact O-OG 3.37Å; S17-S19 PolarHBondContact O-N 3.17Å
20	Q	71.8	Confident	76.1	Confident	13 Å²	13	54.2 Å²	54.2	6%	0.061	29%	0.285	C	S	.	.	H	α-helix	trans	-90.8	-13.2	-176.4	-67.8	-172.7	1.4	0	0	114	E16 S17 G22 T23 V86 Y142 P199	E16-Q20 PolarHBondContact O-N 2.94Å; S17-Q20 PolarHBondContact O-N 3.07Å; Q20-G22 PolarHBondContact O-N 3.09Å; Q20-T23 WeakPolarHBondContact O-CB 3.47Å; Q20-T23 VanDerWaalsContact O-CG2 3.29Å; Q20-T23 WeakPolarHBondContact O-CG2 3.48Å; Q20-T23 PolarHBondContact O-N 3.05Å; Q20-T23 VanDerWaalsContact O-N 3.12Å; Q20-T23 PolarHBondContact O-OG1 3.34Å; Q20-V86 HydrophobicContact CG-CG2 4.47Å; Q20-Y142 HydrophobicContact CG-CE2 4.06Å; Q20-P199 HydrophobicContact CB-CG 4.28Å
21	Q	78.5	Confident	78.3	Confident	130 Å²	130	47.2 Å²	47.2	61%	0.607	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	132.9	174	-170.7	177.1	8.5	0	0	110.4	S17 T23	S17-Q21 PolarHBondContact O-N 3.3Å; Q21-T23 PolarHBondContact O-N 3.16Å
22	G	89.9	Confident	80.2	Confident	33 Å²	33	43 Å²	43	34%	0.34	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	19.7	-178.2	0	0	0	0	0	114.1	Q20 Q145	Q20-G22 PolarHBondContact O-N 3.09Å; G22-Q145 WeakPolarHBondContact O-CB 3.27Å; G22-Q145 VanDerWaalsContact O-CG 3.26Å; G22-Q145 WeakPolarHBondContact O-CG 3.5Å; G22-Q145 PolarHBondContact O-N 2.89Å
23	T	95.7	Very high	82.2	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.012	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-80	152.9	170.5	56.8	0	0	0	0	111.7	Q20 Q21 V86 Y142 W143 K144 Q145	Q20-T23 WeakPolarHBondContact O-CB 3.47Å; Q20-T23 VanDerWaalsContact O-CG2 3.29Å; Q20-T23 WeakPolarHBondContact O-CG2 3.48Å; Q20-T23 PolarHBondContact O-N 3.05Å; Q20-T23 VanDerWaalsContact O-N 3.12Å; Q20-T23 PolarHBondContact O-OG1 3.34Å; Q21-T23 PolarHBondContact O-N 3.16Å; T23-V86 HydrophobicContact CG2-CG1 4.16Å; T23-Y142 HydrophobicContact CG2-CD2 4.3Å; T23-Y142 HydrophobicContact CG2-CG 4.07Å; T23-W143 CarbonylContact C-O 3.58Å; T23-W143 WeakPolarHBondContact CA-O 3.34Å; T23-K144 HydrophobicContact CG2-CG 4.23Å; T23-Q145 PolarHBondContact O-NE2 2.99Å
24	V	97.8	Very high	84.3	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.			trans	-82.6	133.2	170.6	-179.6	0	0	0	0	108.3	L30 V72 I87 W143 Q145 T191 Y196	V24-L30 HydrophobicContact CG1-CD2 3.81Å; V24-L30 HydrophobicContact CG2-CD2 4.48Å; V24-V72 HydrophobicContact CG1-CG2 4.13Å; V24-I87 WeakPolarHBondContact O-CG1 3.14Å; V24-I87 PolarHBondContact O-N 3.17Å; V24-W143 HydrophobicContact CB-CB 4.4Å; V24-W143 HydrophobicContact CB-CD2 3.72Å; V24-W143 HydrophobicContact CB-CE3 3.79Å; V24-W143 HydrophobicContact CB-CG 3.99Å; V24-W143 HydrophobicContact CB-CZ3 4.36Å; V24-W143 HydrophobicContact CG1-CD2 3.99Å; V24-W143 HydrophobicContact CG1-CE3 3.61Å; V24-W143 HydrophobicContact CG1-CH2 4.16Å; V24-W143 HydrophobicContact CG1-CZ2 4.48Å; V24-W143 HydrophobicContact CG1-CZ3 3.7Å; V24-W143 HydrophobicContact CG2-CD2 3.83Å; V24-W143 HydrophobicContact CG2-CE3 4.33Å; V24-W143 HydrophobicContact CG2-CG 3.98Å; V24-W143 HydrophobicContact CG2-CZ2 4.45Å; V24-W143 PolarHBondContact N-O 2.87Å; V24-Q145 HydrophobicContact CG2-CG 3.96Å; V24-T191 HydrophobicContact CG2-CG2 4.34Å; V24-Y196 HydrophobicContact CG2-CE1 4.26Å
25	T	97.7	Very high	86.3	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-123.2	158.4	-179.3	68.4	0	0	0	0	111.2	S28 R85 V86 I197 P199	T25-S28 WeakPolarHBondContact O-CB 3.36Å; T25-S28 PolarHBondContact O-N 2.96Å; T25-S28 PolarHBondContact O-OG 3.35Å; T25-S28 PolarHBondContact OG1-OG 3.24Å; T25-R85 CarbonylContact C-O 3.52Å; T25-R85 VanDerWaalsContact CA-O 3.24Å; T25-R85 WeakPolarHBondContact CA-O 3.3Å; T25-R85 WeakPolarHBondContact CB-O 3.48Å; T25-V86 HydrophobicContact CG2-CG2 4.25Å; T25-I197 WeakPolarHBondContact CB-O 3.33Å; T25-I197 WeakPolarHBondContact CG2-O 3.21Å; T25-I197 WeakPolarHBondContact OG1-CB 3.29Å; T25-I197 PolarHBondContact OG1-O 2.58Å; T25-P199 HydrophobicContact CG2-CB 4.44Å; T25-P199 HydrophobicContact CG2-CG 3.97Å
26	C	97.4	Very high	88.2	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	144.2	172.8	-80.1	0	0	0	0	113.4	S28 C81 N82 R83 G84 R85 I87	C26-S28 PolarHBondContact O-N 3.37Å; C26-C81 HydrophobicContact CB-CB 3.53Å; C26-C81 WeakPolarHBondContact CB-SG 3.41Å; C26-C81 WeakPolarHBondContact SG-CB 3.48Å; C26-C81 CovalentContact SG-SG 1.96Å; C26-C81 PolarHBondContact SG-SG 3.18Å; C26-N82 WeakPolarHBondContact CB-O 3.46Å; C26-R83 WeakPolarHBondContact O-CA 3.48Å; C26-G84 PolarHBondContact O-N 2.77Å; C26-R85 HydrophobicContact CB-CB 4.45Å; C26-R85 PolarHBondContact N-O 2.91Å; C26-I87 WeakPolarHBondContact SG-CD1 3.19Å
27	G	96.8	Very high	90.2	Very high	15 Å²	15	27.6 Å²	27.6	16%	0.155	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-17.9	-174	0	0	0	0	0	113.2	Q71 V72 I197	G27-Q71 PolarHBondContact O-NE2 2.87Å; G27-V72 PolarHBondContact N-O 2.62Å; G27-I197 WeakPolarHBondContact O-CD1 3.13Å
28	S	98.4	Very high	92.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.179	C	C	.	.			trans	-58.4	140.8	177.5	-60.9	0	0	0	0	110.1	T25 C26 Q71 V72 V195 I197	T25-S28 WeakPolarHBondContact O-CB 3.36Å; T25-S28 PolarHBondContact O-N 2.96Å; T25-S28 PolarHBondContact O-OG 3.35Å; T25-S28 PolarHBondContact OG1-OG 3.24Å; C26-S28 PolarHBondContact O-N 3.37Å; S28-Q71 WeakPolarHBondContact O-CA 3.38Å; S28-V72 PolarHBondContact O-N 3.4Å; S28-V195 WeakPolarHBondContact CA-O 3.47Å; S28-I197 PolarHBondContact OG-N 2.86Å; S28-I197 VanDerWaalsContact OG-N 3.13Å
29	V	98.6	Very high	94.1	Very high	23 Å²	23	26.7 Å²	26.7	14%	0.139	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121	177.8	177.9	0	0	0	0	107.2	Y69 W70 Q71 L98 G194 V195	V29-Y69 HydrophobicContact CG1-CD1 3.96Å; V29-Y69 HydrophobicContact CG1-CG 4.15Å; V29-W70 WeakPolarHBondContact CA-O 3.4Å; V29-Q71 HydrophobicContact CG2-CB 4.08Å; V29-Q71 HydrophobicContact CG2-CG 4.02Å; V29-L98 HydrophobicContact CG1-CD2 4.1Å; V29-G194 CarbonylContact O-C 3.52Å; V29-G194 WeakPolarHBondContact O-CA 3.4Å; V29-V195 PolarHBondContact N-O 2.91Å; V29-V195 PolarHBondContact O-N 2.65Å
30	L	98.7	Very high	95.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	160.9	-170	56.7	81.4	0	0	0	111.8	V24 L32 W70 V72 W143 T191 E193 Y196	V24-L30 HydrophobicContact CG1-CD2 3.81Å; V24-L30 HydrophobicContact CG2-CD2 4.48Å; L30-L32 HydrophobicContact CD1-CD2 4.07Å; L30-L32 HydrophobicContact CD1-CG 3.8Å; L30-W70 PolarHBondContact N-O 3.32Å; L30-W70 PolarHBondContact O-N 2.8Å; L30-V72 HydrophobicContact CD2-CG2 3.88Å; L30-V72 HydrophobicContact CG-CG2 4.36Å; L30-W143 HydrophobicContact CD2-CH2 4.25Å; L30-W143 HydrophobicContact CD2-CZ2 4.44Å; L30-T191 HydrophobicContact CD1-CG2 3.98Å; L30-T191 HydrophobicContact CD2-CG2 3.81Å; L30-T191 HydrophobicContact CG-CG2 4.45Å; L30-E193 CarbonylContact C-O 3.57Å; L30-E193 WeakPolarHBondContact CA-O 3.33Å; L30-Y196 HydrophobicContact CB-CE1 4.06Å; L30-Y196 HydrophobicContact CD2-CE1 3.89Å
31	K	98.8	Very high	96.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	144.2	163.9	-57.1	-163.8	178.4	-170.5	0	109.8	R40 E63 D65 S68 Y69 T191 T192 E193	K31-R40 HydrophobicContact CB-CG 4.24Å; K31-R40 HydrophobicContact CD-CG 4.04Å; K31-E63 PolarHBondContact NZ-O 1.96Å; K31-D65 WeakPolarHBondContact CE-O 2.99Å; K31-D65 PolarHBondContact NZ-O 2.82Å; K31-S68 WeakPolarHBondContact CG-O 3.29Å; K31-Y69 HydrophobicContact CD-CE1 4.32Å; K31-Y69 VanDerWaalsContact CE-CZ 3.46Å; K31-Y69 HydrophobicContact CG-CD1 3.86Å; K31-Y69 HydrophobicContact CG-CE1 3.82Å; K31-T191 WeakPolarHBondContact O-CA 3.36Å; K31-T192 PolarHBondContact O-N 3.23Å; K31-T192 VanDerWaalsContact O-N 3.13Å; K31-E193 HydrophobicContact CD-CB 4.14Å; K31-E193 WeakPolarHBondContact CD-OE2 3.3Å; K31-E193 HydrophobicContact CG-CB 4.27Å; K31-E193 PolarHBondContact N-O 3.23Å
32	L	98.9	Very high	97.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.2	171.8	-75.1	165.1	0	0	0	108.8	L30 R40 L41 L95 W143 I149 L151 W189 T190 T191	L30-L32 HydrophobicContact CD1-CD2 4.07Å; L30-L32 HydrophobicContact CD1-CG 3.8Å; L32-R40 CarbonylContact O-C 3.47Å; L32-R40 VanDerWaalsContact O-CA 3.27Å; L32-R40 WeakPolarHBondContact O-CA 3.37Å; L32-L41 HydrophobicContact CB-CB 4.05Å; L32-L41 HydrophobicContact CD1-CD2 3.88Å; L32-L41 PolarHBondContact O-N 3.27Å; L32-L95 HydrophobicContact CD1-CD1 3.57Å; L32-W143 HydrophobicContact CD2-CZ2 4.22Å; L32-I149 HydrophobicContact CD2-CD1 4.14Å; L32-L151 HydrophobicContact CD1-CD1 3.67Å; L32-W189 HydrophobicContact CB-CE3 3.94Å; L32-W189 HydrophobicContact CD2-CB 4.44Å; L32-T190 CarbonylContact C-O 3.49Å; L32-T190 WeakPolarHBondContact CA-O 3.4Å; L32-T191 HydrophobicContact CD2-CG2 4Å
33	V	98.9	Very high	98.3	Very high	6 Å²	6	17.3 Å²	17.3	4%	0.036	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	125.5	178.3	178.1	0	0	0	0	109.5	T35 A39 R40 W189 T190 T192	V33-T35 PolarHBondContact O-N 3.27Å; V33-A39 WeakPolarHBondContact CA-O 3.04Å; V33-R40 HydrophobicContact CG2-CG 3.8Å; V33-W189 CarbonylContact O-C 3.55Å; V33-W189 WeakPolarHBondContact O-CA 3.49Å; V33-T190 HydrophobicContact CB-CG2 4.05Å; V33-T190 PolarHBondContact N-O 2.83Å; V33-T190 PolarHBondContact O-N 3.23Å; V33-T192 HydrophobicContact CB-CG2 4.23Å; V33-T192 HydrophobicContact CG2-CG2 3.67Å; V33-T192 VanDerWaalsContact CG2-OG1 3.24Å; V33-T192 WeakPolarHBondContact CG2-OG1 3.41Å
34	N	98.8	Very high	98.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	125.4	168.7	-171.2	-84.7	0	0	0	109.5	D36 F37 N38 A39 L162 A186 T188 W189	N34-D36 VanDerWaalsContact C-N 3.3Å; N34-D36 PolarHBondContact O-N 3.22Å; N34-D36 PolarHBondContact OD1-N 3.48Å; N34-D36 VanDerWaalsContact OD1-N 3.14Å; N34-F37 WeakPolarHBondContact OD1-CD2 3.42Å; N34-F37 PolarHBondContact OD1-N 2.99Å; N34-N38 VanDerWaalsContact O-CA 3.31Å; N34-N38 WeakPolarHBondContact O-CA 3.16Å; N34-N38 PolarHBondContact O-N 3.24Å; N34-A39 PolarHBondContact N-O 3.48Å; N34-L162 HydrophobicContact CB-CD1 3.41Å; N34-L162 VanDerWaalsContact CB-CD1 3.41Å; N34-L162 HydrophobicContact CB-CG 3.93Å; N34-A186 PolarHBondContact ND2-O 2.8Å; N34-T188 PolarHBondContact ND2-O 3.13Å; N34-W189 HydrophobicContact CB-CD2 4.18Å; N34-W189 HydrophobicContact CB-CE3 3.84Å; N34-W189 HydrophobicContact CB-CH2 3.89Å; N34-W189 HydrophobicContact CB-CZ2 4.2Å; N34-W189 HydrophobicContact CB-CZ3 3.7Å; N34-W189 VanDerWaalsContact N-CE3 3.26Å
35	T	98	Very high	98.3	Very high	63 Å²	63	26.7 Å²	26.7	39%	0.387	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-21.1	-170.4	59.1	0	0	0	0	113.8	V33 T188 T190	V33-T35 PolarHBondContact O-N 3.27Å; T35-T188 HydrophobicContact CG2-CG2 4.05Å; T35-T188 PolarHBondContact N-O 3.06Å; T35-T188 WeakPolarHBondContact OG1-CB 3.33Å; T35-T188 PolarHBondContact OG1-O 3.27Å; T35-T190 HydrophobicContact CG2-CG2 4.13Å
36	D	98.1	Very high	98.3	Very high	93 Å²	93	28.8 Å²	28.8	50%	0.497	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-37.7	-177.4	-159.3	44.4	0	0	0	111.7	N34 A186	N34-D36 VanDerWaalsContact C-N 3.3Å; N34-D36 PolarHBondContact O-N 3.22Å; N34-D36 PolarHBondContact OD1-N 3.48Å; N34-D36 VanDerWaalsContact OD1-N 3.14Å; D36-A186 HydrophobicContact CB-CB 4.43Å
37	F	98.4	Very high	98.4	Very high	55 Å²	55	35.5 Å²	35.5	24%	0.241	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-5.9	-177.6	-64.9	-85.6	0	0	0	114.5	N34 A39 L162 G164 Y175 A186	N34-F37 WeakPolarHBondContact OD1-CD2 3.42Å; N34-F37 PolarHBondContact OD1-N 2.99Å; F37-A39 HydrophobicContact CB-CB 4.29Å; F37-A39 PolarHBondContact O-N 3.1Å; F37-L162 HydrophobicContact CB-CD1 3.78Å; F37-L162 HydrophobicContact CD2-CB 3.58Å; F37-L162 HydrophobicContact CD2-CD1 3.76Å; F37-L162 HydrophobicContact CD2-CG 4.26Å; F37-L162 HydrophobicContact CE2-CB 3.73Å; F37-L162 HydrophobicContact CG-CB 4.43Å; F37-L162 HydrophobicContact CG-CD1 4Å; F37-G164 VanDerWaalsContact CZ-CA 3.48Å; F37-Y175 HydrophobicContact CD1-CD1 4.23Å; F37-Y175 AromaticContact CD1-CE1 3.61Å; F37-Y175 HydrophobicContact CD1-CE1 3.61Å; F37-Y175 HydrophobicContact CE1-CE1 4.18Å; F37-Y175 HydrophobicContact CG-CE1 4.29Å; F37-A186 HydrophobicContact CD2-CB 4.42Å; F37-A186 HydrophobicContact CE2-CB 3.73Å
38	N	98.2	Very high	98.4	Very high	94 Å²	94	35.5 Å²	35.5	50%	0.503	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	41.6	-172.4	-168.6	32.2	0	0	0	112.9	N34 R40	N34-N38 VanDerWaalsContact O-CA 3.31Å; N34-N38 WeakPolarHBondContact O-CA 3.16Å; N34-N38 PolarHBondContact O-N 3.24Å; N38-R40 PolarHBondContact O-NH1 3.23Å; N38-R40 PolarHBondContact OD1-NH1 3.11Å
39	A	98.8	Very high	98.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.9	-176.4	0	0	0	0	0	111.1	V33 N34 F37 A59 V60 L162 Y175	V33-A39 WeakPolarHBondContact CA-O 3.04Å; N34-A39 PolarHBondContact N-O 3.48Å; F37-A39 HydrophobicContact CB-CB 4.29Å; F37-A39 PolarHBondContact O-N 3.1Å; A39-A59 HydrophobicContact CB-CB 3.83Å; A39-V60 CarbonylContact C-O 3.56Å; A39-V60 WeakPolarHBondContact CA-O 3.47Å; A39-L162 HydrophobicContact CB-CD1 4.03Å; A39-Y175 HydrophobicContact CB-CD2 3.79Å; A39-Y175 HydrophobicContact CB-CE2 3.84Å
40	R	98.8	Very high	98.1	Very high	9 Å²	9	41.7 Å²	41.7	3%	0.034	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	134.4	-176.7	-74.1	70.2	-177.9	144.8	-2.5	109.9	K31 L32 V33 N38 H42 A59 V60 E63 E193	K31-R40 HydrophobicContact CB-CG 4.24Å; K31-R40 HydrophobicContact CD-CG 4.04Å; L32-R40 CarbonylContact O-C 3.47Å; L32-R40 VanDerWaalsContact O-CA 3.27Å; L32-R40 WeakPolarHBondContact O-CA 3.37Å; V33-R40 HydrophobicContact CG2-CG 3.8Å; N38-R40 PolarHBondContact O-NH1 3.23Å; N38-R40 PolarHBondContact OD1-NH1 3.11Å; R40-H42 PolarHBondContact O-N 2.98Å; R40-A59 CarbonylContact O-C 3.55Å; R40-A59 WeakPolarHBondContact O-CA 3.36Å; R40-A59 VanDerWaalsContact O-CB 3.28Å; R40-A59 WeakPolarHBondContact O-CB 3.47Å; R40-V60 PolarHBondContact N-O 3.28Å; R40-V60 PolarHBondContact O-N 3.29Å; R40-E63 IonicContact CZ-OE1 2.8Å; R40-E63 IonicContact NH1-OE1 3.9Å; R40-E63 IonicContact NH2-OE1 3.59Å; R40-E63 PolarHBondContact NH2-OE1 3.22Å; R40-E193 IonicContact CZ-OE1 3.53Å; R40-E193 IonicContact NE-OE1 2.77Å; R40-E193 IonicContact NH2-OE1 3.87Å; R40-E193 PolarHBondContact NH2-OE1 3.5Å; R40-E193 VanDerWaalsContact NH2-OE1 3.1Å
41	L	98.9	Very high	98	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	128.4	170	-175.6	68.8	0	0	0	109.7	L32 V57 S68 W70 L104 L160 V177 W189	L32-L41 HydrophobicContact CB-CB 4.05Å; L32-L41 HydrophobicContact CD1-CD2 3.88Å; L32-L41 PolarHBondContact O-N 3.27Å; L41-V57 HydrophobicContact CD1-CG1 3.52Å; L41-V57 HydrophobicContact CG-CG1 4.37Å; L41-S68 WeakPolarHBondContact O-CA 3.2Å; L41-W70 HydrophobicContact CD2-CD2 4.06Å; L41-W70 HydrophobicContact CD2-CG 4.35Å; L41-W70 HydrophobicContact CD2-CZ2 3.96Å; L41-W70 HydrophobicContact CG-CZ2 3.82Å; L41-W70 PolarHBondContact O-NE1 2.82Å; L41-L104 HydrophobicContact CD1-CD1 4.34Å; L41-L104 HydrophobicContact CD2-CD1 4.11Å; L41-L104 HydrophobicContact CD2-CD2 3.98Å; L41-L160 HydrophobicContact CD1-CD2 4.26Å; L41-L160 HydrophobicContact CD2-CD2 4.18Å; L41-V177 HydrophobicContact CD1-CB 4.44Å; L41-V177 HydrophobicContact CD1-CG1 3.89Å; L41-V177 HydrophobicContact CD1-CG2 3.84Å; L41-W189 HydrophobicContact CB-CH2 4.4Å; L41-W189 HydrophobicContact CB-CZ3 3.92Å; L41-W189 HydrophobicContact CD1-CH2 4.28Å
42	H	98.9	Very high	98	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.014	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	152.9	-166.1	167.6	-79.4	0	0	0	110.8	R40 H44 V57 T58 V60 D65 N67	R40-H42 PolarHBondContact O-N 2.98Å; H42-H44 AromaticContact CE1-CE1 3.95Å; H42-H44 AromaticContact CE1-CG 3.81Å; H42-H44 AromaticContact CE1-ND1 3.4Å; H42-H44 PolarHBondContact CE1-ND1 3.3Å; H42-V57 WeakPolarHBondContact O-CA 2.79Å; H42-T58 PolarHBondContact N-O 3.38Å; H42-T58 PolarHBondContact ND1-OG1 2.64Å; H42-T58 PolarHBondContact O-N 2.99Å; H42-V60 HydrophobicContact CB-CG1 4.05Å; H42-V60 HydrophobicContact CB-CG2 3.9Å; H42-D65 IonicContact CD2-OD1 3.94Å; H42-D65 IonicContact CD2-OD2 3.62Å; H42-D65 IonicContact NE2-OD2 3.18Å; H42-N67 WeakPolarHBondContact CA-O 3.23Å
43	S	98.8	Very high	97.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	164.7	173.1	-178.4	0	0	0	0	110.9	Q55 S56 N67 H97	S43-Q55 VanDerWaalsContact OG-CD 3.31Å; S43-Q55 WeakPolarHBondContact OG-CG 3.1Å; S43-Q55 PolarHBondContact OG-OE1 2.87Å; S43-S56 PolarHBondContact OG-O 3.46Å; S43-N67 PolarHBondContact N-O 2.89Å; S43-N67 VanDerWaalsContact O-CB 3.24Å; S43-N67 WeakPolarHBondContact O-CB 3.45Å; S43-H97 PolarHBondContact O-CE1 3.35Å
44	H	98.3	Very high	97.9	Very high	23 Å²	23	48.3 Å²	48.3	11%	0.106	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	172.4	179.6	48.1	-152.8	0	0	0	111.2	H42 V46 Q55 S56 I171 Q174	H42-H44 AromaticContact CE1-CE1 3.95Å; H42-H44 AromaticContact CE1-CG 3.81Å; H42-H44 AromaticContact CE1-ND1 3.4Å; H42-H44 PolarHBondContact CE1-ND1 3.3Å; H44-V46 PolarHBondContact O-N 3.12Å; H44-Q55 VanDerWaalsContact C-NE2 3.3Å; H44-Q55 WeakPolarHBondContact O-CG 3.48Å; H44-Q55 PolarHBondContact O-NE2 2.97Å; H44-S56 PolarHBondContact CD2-OG 3.24Å; H44-S56 VanDerWaalsContact CD2-OG 3.26Å; H44-S56 PolarHBondContact NE2-OG 3.34Å; H44-I171 WeakPolarHBondContact CE1-CG2 3.37Å; H44-Q174 PolarHBondContact CE1-OE1 3.38Å
45	E	96.4	Very high	97.9	Very high	176 Å²	176	49 Å²	49	82%	0.822	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	38.7	177.5	-60.5	-174	172.3	0	0	114	T100	E45-T100 HydrophobicContact CG-CG2 4.22Å
46	V	98	Very high	97.9	Very high	44 Å²	44	46.1 Å²	46.1	27%	0.267	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	139.8	168.3	-177.1	0	0	0	0	107.8	H44 Q55 S56 P170 I171	H44-V46 PolarHBondContact O-N 3.12Å; V46-Q55 WeakPolarHBondContact O-CA 3.33Å; V46-S56 PolarHBondContact O-N 3.06Å; V46-S56 PolarHBondContact O-OG 3.34Å; V46-P170 HydrophobicContact CG1-CG 4.1Å; V46-I171 HydrophobicContact CB-CG2 4.29Å; V46-I171 HydrophobicContact CG1-CG2 4.21Å; V46-I171 HydrophobicContact CG2-CG2 3.95Å
47	Q	98.1	Very high	97.9	Very high	142 Å²	142	41.7 Å²	41.7	66%	0.664	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	153.9	177.2	-68.8	172.9	14	0	0	110.1	G49 G53 Q54	Q47-G49 PolarHBondContact O-N 3.36Å; Q47-G53 PolarHBondContact OE1-O 2.95Å; Q47-Q54 CarbonylContact C-O 3.52Å; Q47-Q54 VanDerWaalsContact CA-O 3.31Å; Q47-Q54 WeakPolarHBondContact CA-O 3.43Å
48	Y	97.7	Very high	98	Very high	14 Å²	14	39 Å²	39	6%	0.055	24%	0.242	C	C	.	.			trans	-64.5	133.5	169.3	-66.4	-51.5	0	0	0	110.7	S50 G53 Q54 V57 P112 E118 V119 Y167	Y48-S50 VanDerWaalsContact CB-O 3.25Å; Y48-S50 WeakPolarHBondContact CB-O 3.43Å; Y48-S50 PolarHBondContact O-N 3.12Å; Y48-G53 WeakPolarHBondContact O-CA 3.24Å; Y48-Q54 PolarHBondContact N-O 2.8Å; Y48-V57 PolarHBondContact OH-N 2.85Å; Y48-V57 VanDerWaalsContact OH-N 3.13Å; Y48-V57 PolarHBondContact OH-O 3.06Å; Y48-P112 HydrophobicContact CD1-CG 3.55Å; Y48-P112 HydrophobicContact CE1-CG 3.75Å; Y48-P112 HydrophobicContact CG-CG 4.04Å; Y48-E118 HydrophobicContact CD2-CG 3.91Å; Y48-E118 HydrophobicContact CE2-CG 3.58Å; Y48-V119 VanDerWaalsContact CE2-O 3.26Å; Y48-V119 WeakPolarHBondContact CE2-O 3.35Å; Y48-V119 PolarHBondContact OH-O 3.03Å; Y48-Y167 WeakPolarHBondContact CE1-OH 3.08Å
49	G	95.6	Very high	98	Very high	93 Å²	93	34.6 Å²	34.6	96%	0.959	22%	0.218	S	C	*	.	S	Bend	trans	-79.4	-1.6	172.4	0	0	0	0	0	113.9	Q47	Q47-G49 PolarHBondContact O-N 3.36Å
50	S	95.2	Very high	98	Very high	60 Å²	60	35.2 Å²	35.2	42%	0.42	22%	0.222	S	C	.	.	S	Bend	trans	-141.1	177.5	179.7	62.6	0	0	0	0	109.3	Y48 S52	Y48-S50 VanDerWaalsContact CB-O 3.25Å; Y48-S50 WeakPolarHBondContact CB-O 3.43Å; Y48-S50 PolarHBondContact O-N 3.12Å; S50-S52 PolarHBondContact O-N 3.38Å
51	G	96.8	Very high	98	Very high	42 Å²	42	39.1 Å²	39.1	43%	0.433	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	-130	178.1	0	0	0	0	0	110.8	G53 F109 E118	G51-G53 VanDerWaalsContact C-N 3.34Å; G51-G53 PolarHBondContact O-N 3.4Å; G51-F109 VanDerWaalsContact C-CD1 3.43Å; G51-E118 WeakPolarHBondContact CA-OE2 3.41Å
52	S	97.9	Very high	97.9	Very high	33 Å²	33	43.1 Å²	43.1	23%	0.231	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-15.8	-174.4	71	0	0	0	0	115	S50 Q54 H107 E118	S50-S52 PolarHBondContact O-N 3.38Å; S52-Q54 PolarHBondContact O-N 2.69Å; S52-Q54 VanDerWaalsContact OG-CB 3.27Å; S52-Q54 WeakPolarHBondContact OG-CB 3.24Å; S52-Q54 WeakPolarHBondContact OG-CG 3.18Å; S52-Q54 PolarHBondContact OG-N 2.03Å; S52-Q54 VanDerWaalsContact OG-N 3.13Å; S52-Q54 PolarHBondContact OG-OE1 3.44Å; S52-H107 WeakPolarHBondContact CB-CE1 3.42Å; S52-H107 PolarHBondContact OG-CE1 2.91Å; S52-E118 WeakPolarHBondContact CB-OE1 3.41Å; S52-E118 PolarHBondContact N-OE2 3.4Å; S52-E118 VanDerWaalsContact N-OE2 3.15Å; S52-E118 PolarHBondContact OG-OE1 2.93Å
53	G	97.7	Very high	97.9	Very high	31 Å²	31	47 Å²	47	32%	0.32	29%	0.29	S	S	.	.			trans	72.8	8.3	-170.6	0	0	0	0	0	114.6	Q47 Y48 G51	Q47-G53 PolarHBondContact OE1-O 2.95Å; Y48-G53 WeakPolarHBondContact O-CA 3.24Å; G51-G53 VanDerWaalsContact C-N 3.34Å; G51-G53 PolarHBondContact O-N 3.4Å
54	Q	98.1	Very high	97.8	Very high	39 Å²	39	54 Å²	54	18%	0.182	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-75.5	171.5	179.9	-67.3	173.9	-14.6	0	0	112.5	Q47 Y48 S52 S56 H107 S120	Q47-Q54 CarbonylContact C-O 3.52Å; Q47-Q54 VanDerWaalsContact CA-O 3.31Å; Q47-Q54 WeakPolarHBondContact CA-O 3.43Å; Y48-Q54 PolarHBondContact N-O 2.8Å; S52-Q54 PolarHBondContact O-N 2.69Å; S52-Q54 VanDerWaalsContact OG-CB 3.27Å; S52-Q54 WeakPolarHBondContact OG-CB 3.24Å; S52-Q54 WeakPolarHBondContact OG-CG 3.18Å; S52-Q54 PolarHBondContact OG-N 2.03Å; S52-Q54 VanDerWaalsContact OG-N 3.13Å; S52-Q54 PolarHBondContact OG-OE1 3.44Å; Q54-S56 PolarHBondContact O-N 3.47Å; Q54-H107 PolarHBondContact OE1-CE1 3.24Å; Q54-S120 PolarHBondContact OE1-OG 2.77Å
55	Q	98.5	Very high	97.9	Very high	16 Å²	16	54.6 Å²	54.6	8%	0.075	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	130	175.6	166	166.4	87.7	0	0	110.2	S43 H44 V46 T100 K102 S120 A121	S43-Q55 VanDerWaalsContact OG-CD 3.31Å; S43-Q55 WeakPolarHBondContact OG-CG 3.1Å; S43-Q55 PolarHBondContact OG-OE1 2.87Å; H44-Q55 VanDerWaalsContact C-NE2 3.3Å; H44-Q55 WeakPolarHBondContact O-CG 3.48Å; H44-Q55 PolarHBondContact O-NE2 2.97Å; V46-Q55 WeakPolarHBondContact O-CA 3.33Å; Q55-T100 VanDerWaalsContact NE2-CG2 3.29Å; Q55-T100 PolarHBondContact OE1-OG1 2.72Å; Q55-K102 HydrophobicContact CB-CD 4.21Å; Q55-S120 CarbonylContact O-C 3.59Å; Q55-S120 WeakPolarHBondContact O-CA 3.44Å; Q55-S120 WeakPolarHBondContact O-CB 3.39Å; Q55-A121 HydrophobicContact CB-CB 4.04Å; Q55-A121 HydrophobicContact CG-CB 3.74Å; Q55-A121 PolarHBondContact O-N 3.28Å
56	S	98.7	Very high	98	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.007	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	140	-177.4	50.1	0	0	0	0	112.2	S43 H44 V46 Q54	S43-S56 PolarHBondContact OG-O 3.46Å; H44-S56 PolarHBondContact CD2-OG 3.24Å; H44-S56 VanDerWaalsContact CD2-OG 3.26Å; H44-S56 PolarHBondContact NE2-OG 3.34Å; V46-S56 PolarHBondContact O-N 3.06Å; V46-S56 PolarHBondContact O-OG 3.34Å; Q54-S56 PolarHBondContact O-N 3.47Å
57	V	98.9	Very high	98	Very high	0 Å²	0	51 Å²	51	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129	170.5	171.7	0	0	0	0	108.1	L41 H42 Y48 W70 L104 V119 S120 A121 V177	L41-V57 HydrophobicContact CD1-CG1 3.52Å; L41-V57 HydrophobicContact CG-CG1 4.37Å; H42-V57 WeakPolarHBondContact O-CA 2.79Å; Y48-V57 PolarHBondContact OH-N 2.85Å; Y48-V57 VanDerWaalsContact OH-N 3.13Å; Y48-V57 PolarHBondContact OH-O 3.06Å; V57-W70 HydrophobicContact CG1-CZ2 4.48Å; V57-W70 HydrophobicContact CG2-CH2 4.09Å; V57-L104 HydrophobicContact CG1-CD1 3.84Å; V57-L104 HydrophobicContact CG2-CD1 4.28Å; V57-V119 HydrophobicContact CB-CG1 4.07Å; V57-V119 HydrophobicContact CG1-CG1 3.94Å; V57-S120 WeakPolarHBondContact CG2-O 2.99Å; V57-A121 HydrophobicContact CG2-CB 3.91Å; V57-V177 HydrophobicContact CG1-CB 4.09Å; V57-V177 HydrophobicContact CG1-CG1 4.07Å; V57-V177 HydrophobicContact CG1-CG2 4.29Å
58	T	98.9	Very high	98	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	-178.1	-172.4	63.6	0	0	0	0	109.4	H42 Y167 I171 Q174 Y175 V177	H42-T58 PolarHBondContact N-O 3.38Å; H42-T58 PolarHBondContact ND1-OG1 2.64Å; H42-T58 PolarHBondContact O-N 2.99Å; T58-Y167 HydrophobicContact CG2-CD2 4.1Å; T58-Y167 HydrophobicContact CG2-CE2 3.88Å; T58-I171 HydrophobicContact CG2-CD1 3.81Å; T58-Q174 HydrophobicContact CG2-CB 4.31Å; T58-Q174 PolarHBondContact OG1-OE1 2.99Å; T58-Y175 CarbonylContact C-O 3.52Å; T58-Y175 VanDerWaalsContact CA-O 3.28Å; T58-Y175 WeakPolarHBondContact CA-O 3.45Å; T58-Y175 WeakPolarHBondContact CB-O 3.29Å; T58-V177 VanDerWaalsContact O-CG2 3.25Å; T58-V177 WeakPolarHBondContact O-CG2 3.39Å
59	A	98.9	Very high	98.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.1	164.3	0	0	0	0	0	112.3	A39 R40 L162 Y175 V177	A39-A59 HydrophobicContact CB-CB 3.83Å; R40-A59 CarbonylContact O-C 3.55Å; R40-A59 WeakPolarHBondContact O-CA 3.36Å; R40-A59 VanDerWaalsContact O-CB 3.28Å; R40-A59 WeakPolarHBondContact O-CB 3.47Å; A59-L162 HydrophobicContact CB-CD1 3.97Å; A59-L162 HydrophobicContact CB-CD2 3.62Å; A59-L162 HydrophobicContact CB-CG 4.46Å; A59-Y175 PolarHBondContact N-O 3.39Å; A59-Y175 WeakPolarHBondContact O-CD2 3.21Å; A59-Y175 PolarHBondContact O-N 2.86Å; A59-V177 HydrophobicContact CB-CG2 4.01Å
60	V	98.8	Very high	98.2	Very high	14 Å²	14	42.1 Å²	42.1	9%	0.085	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151	-176.5	-58.7	0	0	0	0	110.6	A39 R40 H42 D62 D65 Q174	A39-V60 CarbonylContact C-O 3.56Å; A39-V60 WeakPolarHBondContact CA-O 3.47Å; R40-V60 PolarHBondContact N-O 3.28Å; R40-V60 PolarHBondContact O-N 3.29Å; H42-V60 HydrophobicContact CB-CG1 4.05Å; H42-V60 HydrophobicContact CB-CG2 3.9Å; V60-D62 VanDerWaalsContact C-N 3.34Å; V60-D65 HydrophobicContact CG2-CB 4.4Å; V60-Q174 HydrophobicContact CG1-CB 4.39Å; V60-Q174 HydrophobicContact CG1-CG 3.84Å
61	S	98	Very high	98.4	Very high	91 Å²	91	41.3 Å²	41.3	64%	0.636	24%	0.239	S	C	*	.	S	Bend	trans	-84.5	-10.3	175.6	54.6	0	0	0	0	113.3	E63	S61-E63 PolarHBondContact O-N 3.06Å
62	D	98.2	Very high	98.4	Very high	83 Å²	83	39.3 Å²	39.3	44%	0.444	22%	0.218	S	C	.	.			trans	-71.9	111.8	-178.1	-173.2	-8.4	0	0	0	111	V60 M64 D65	V60-D62 VanDerWaalsContact C-N 3.34Å; D62-M64 PolarHBondContact O-N 3.4Å; D62-M64 PolarHBondContact OD1-N 2.93Å; D62-D65 HydrophobicContact CB-CB 4.09Å; D62-D65 PolarHBondContact OD1-N 3.38Å
63	E	97.9	Very high	98.4	Very high	84 Å²	84	38.5 Å²	38.5	39%	0.393	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-18.9	179.7	-55.1	-166.1	155.4	0	0	112.9	K31 R40 S61	K31-E63 PolarHBondContact NZ-O 1.96Å; R40-E63 IonicContact CZ-OE1 2.8Å; R40-E63 IonicContact NH1-OE1 3.9Å; R40-E63 IonicContact NH2-OE1 3.59Å; R40-E63 PolarHBondContact NH2-OE1 3.22Å; S61-E63 PolarHBondContact O-N 3.06Å
64	M	98	Very high	98.3	Very high	148 Å²	148	38.5 Å²	38.5	73%	0.729	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-8.8	-176.2	-58.6	-59.3	152.7	0	0	112.7	D62 T66	D62-M64 PolarHBondContact O-N 3.4Å; D62-M64 PolarHBondContact OD1-N 2.93Å; M64-T66 PolarHBondContact O-N 3.26Å
65	D	98.5	Very high	98.1	Very high	36 Å²	36	41.8 Å²	41.8	19%	0.193	21%	0.214	C	C	.	.			trans	-62.2	121.8	-178.9	-165.2	-38.1	0	0	0	111.3	K31 H42 V60 D62 N67 S68	K31-D65 WeakPolarHBondContact CE-O 2.99Å; K31-D65 PolarHBondContact NZ-O 2.82Å; H42-D65 IonicContact CD2-OD1 3.94Å; H42-D65 IonicContact CD2-OD2 3.62Å; H42-D65 IonicContact NE2-OD2 3.18Å; V60-D65 HydrophobicContact CG2-CB 4.4Å; D62-D65 HydrophobicContact CB-CB 4.09Å; D62-D65 PolarHBondContact OD1-N 3.38Å; D65-N67 VanDerWaalsContact C-N 3.29Å; D65-N67 PolarHBondContact O-N 3.13Å; D65-N67 VanDerWaalsContact OD1-CB 3.3Å; D65-N67 WeakPolarHBondContact OD1-CB 3.37Å; D65-N67 PolarHBondContact OD1-N 3.36Å; D65-S68 PolarHBondContact O-N 3.45Å
66	T	98.3	Very high	97.9	Very high	96 Å²	96	43.6 Å²	43.6	59%	0.589	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-75.2	-18.1	-177.4	56	0	0	0	0	112.9	M64 S68 Y69	M64-T66 PolarHBondContact O-N 3.26Å; T66-S68 PolarHBondContact O-N 3.37Å; T66-Y69 VanDerWaalsContact O-CD2 3.29Å; T66-Y69 WeakPolarHBondContact O-CD2 3.4Å
67	N	98.7	Very high	97.4	Very high	47 Å²	47	47.1 Å²	47.1	25%	0.251	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-81.7	11.8	174	-67.3	-50.2	0	0	0	113.4	H42 S43 D65 H97 S99	H42-N67 WeakPolarHBondContact CA-O 3.23Å; S43-N67 PolarHBondContact N-O 2.89Å; S43-N67 VanDerWaalsContact O-CB 3.24Å; S43-N67 WeakPolarHBondContact O-CB 3.45Å; D65-N67 VanDerWaalsContact C-N 3.29Å; D65-N67 PolarHBondContact O-N 3.13Å; D65-N67 VanDerWaalsContact OD1-CB 3.3Å; D65-N67 WeakPolarHBondContact OD1-CB 3.37Å; D65-N67 PolarHBondContact OD1-N 3.36Å; N67-H97 PolarHBondContact O-NE2 3.34Å; N67-S99 WeakPolarHBondContact OD1-CB 3.19Å; N67-S99 PolarHBondContact OD1-OG 3.35Å
68	S	98.8	Very high	97	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-99.5	3.3	171	-60.2	0	0	0	0	113.2	K31 L41 D65 T66	K31-S68 WeakPolarHBondContact CG-O 3.29Å; L41-S68 WeakPolarHBondContact O-CA 3.2Å; D65-S68 PolarHBondContact O-N 3.45Å; T66-S68 PolarHBondContact O-N 3.37Å
69	Y	98.8	Very high	96.6	Very high	64 Å²	64	53.8 Å²	53.8	25%	0.251	31%	0.305	S	S	.	.			trans	-88	125.8	-178.8	-74.1	-63.2	0	0	0	112.6	V29 K31 T66 L98	V29-Y69 HydrophobicContact CG1-CD1 3.96Å; V29-Y69 HydrophobicContact CG1-CG 4.15Å; K31-Y69 HydrophobicContact CD-CE1 4.32Å; K31-Y69 VanDerWaalsContact CE-CZ 3.46Å; K31-Y69 HydrophobicContact CG-CD1 3.86Å; K31-Y69 HydrophobicContact CG-CE1 3.82Å; T66-Y69 VanDerWaalsContact O-CD2 3.29Å; T66-Y69 WeakPolarHBondContact O-CD2 3.4Å; Y69-L98 PolarHBondContact O-N 3.22Å
70	W	98.8	Very high	96.2	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.8	178.2	-59.9	83.6	0	0	0	110.4	V29 L30 L41 V57 L95 M96 H97 L104	V29-W70 WeakPolarHBondContact CA-O 3.4Å; L30-W70 PolarHBondContact N-O 3.32Å; L30-W70 PolarHBondContact O-N 2.8Å; L41-W70 HydrophobicContact CD2-CD2 4.06Å; L41-W70 HydrophobicContact CD2-CG 4.35Å; L41-W70 HydrophobicContact CD2-CZ2 3.96Å; L41-W70 HydrophobicContact CG-CZ2 3.82Å; L41-W70 PolarHBondContact O-NE1 2.82Å; V57-W70 HydrophobicContact CG1-CZ2 4.48Å; V57-W70 HydrophobicContact CG2-CH2 4.09Å; W70-L95 HydrophobicContact CB-CB 4.44Å; W70-L95 HydrophobicContact CB-CD2 4.45Å; W70-L95 HydrophobicContact CE3-CB 4.11Å; W70-M96 CarbonylContact C-O 3.51Å; W70-M96 WeakPolarHBondContact CA-O 3.26Å; W70-H97 HydrophobicContact CD2-CB 4.42Å; W70-H97 HydrophobicContact CE3-CB 3.86Å; W70-H97 VanDerWaalsContact CE3-N 3.31Å; W70-H97 HydrophobicContact CH2-CB 3.85Å; W70-H97 HydrophobicContact CZ2-CB 4.39Å; W70-H97 HydrophobicContact CZ3-CB 3.56Å; W70-L104 HydrophobicContact CE3-CB 4.24Å; W70-L104 HydrophobicContact CH2-CB 4.34Å; W70-L104 HydrophobicContact CH2-CD1 4.09Å; W70-L104 HydrophobicContact CZ3-CB 3.74Å; W70-L104 HydrophobicContact CZ3-CD1 4.32Å
71	Q	98	Very high	95.7	Very high	42 Å²	42	60.8 Å²	60.8	20%	0.196	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	130.1	175.1	-171.8	172.2	31.2	0	0	110.8	G27 S28 V29 V73 M96	G27-Q71 PolarHBondContact O-NE2 2.87Å; S28-Q71 WeakPolarHBondContact O-CA 3.38Å; V29-Q71 HydrophobicContact CG2-CB 4.08Å; V29-Q71 HydrophobicContact CG2-CG 4.02Å; Q71-V73 HydrophobicContact CG-CG1 4.03Å; Q71-M96 HydrophobicContact CB-CB 4.41Å; Q71-M96 HydrophobicContact CB-CE 4.15Å; Q71-M96 HydrophobicContact CG-CE 4.4Å; Q71-M96 PolarHBondContact N-O 2.8Å; Q71-M96 PolarHBondContact O-N 3.15Å
72	V	98.5	Very high	95.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	120.5	174.8	179.2	0	0	0	0	109.9	V24 G27 S28 L30 I87 I93 L95 W143	V24-V72 HydrophobicContact CG1-CG2 4.13Å; G27-V72 PolarHBondContact N-O 2.62Å; S28-V72 PolarHBondContact O-N 3.4Å; L30-V72 HydrophobicContact CD2-CG2 3.88Å; L30-V72 HydrophobicContact CG-CG2 4.36Å; V72-I87 HydrophobicContact CG1-CD1 4.04Å; V72-I87 HydrophobicContact CG1-CG1 4.04Å; V72-I93 HydrophobicContact CG1-CD1 4.02Å; V72-I93 HydrophobicContact CG1-CG2 4.5Å; V72-L95 HydrophobicContact CG2-CD2 3.98Å; V72-W143 HydrophobicContact CG1-CZ3 4.27Å; V72-W143 HydrophobicContact CG2-CH2 4.07Å; V72-W143 HydrophobicContact CG2-CZ3 3.9Å
73	V	96.6	Very high	95.2	Very high	16 Å²	16	65.6 Å²	65.6	10%	0.097	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	175.5	177.7	-54.5	0	0	0	0	112.2	Q71 I93 R94 M96 Y103	Q71-V73 HydrophobicContact CG-CG1 4.03Å; V73-I93 WeakPolarHBondContact O-CB 3.39Å; V73-R94 HydrophobicContact CG2-CB 3.86Å; V73-R94 PolarHBondContact N-O 3.13Å; V73-R94 PolarHBondContact O-N 2.96Å; V73-R94 VanDerWaalsContact O-N 3.08Å; V73-M96 HydrophobicContact CG1-CE 4.02Å; V73-Y103 HydrophobicContact CG2-CE1 3.68Å
74	E	95.3	Very high	95	Very high	32 Å²	32	61.7 Å²	61.7	15%	0.15	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	153.2	177.7	66.3	-63.7	147.7	0	0	113.4	C81 R94	E74-C81 HydrophobicContact CB-CB 3.9Å; E74-C81 WeakPolarHBondContact OE2-CB 3.16Å; E74-C81 PolarHBondContact OE2-N 2.81Å; E74-R94 WeakPolarHBondContact O-CG 3.45Å; E74-R94 PolarHBondContact O-NE 3.19Å; E74-R94 IonicContact OE1-NH2 3.39Å; E74-R94 PolarHBondContact OE1-NH2 3.43Å
75	R	95.6	Very high	94.8	Very high	108 Å²	108	59.1 Å²	59.1	41%	0.408	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-60.6	159	166.4	73.3	167	174	100.7	1.7	112	S78 K92 D133	R75-S78 WeakPolarHBondContact CG-OG 3.31Å; R75-S78 PolarHBondContact NE-OG 2.94Å; R75-S78 PolarHBondContact NH2-OG 2.83Å; R75-S78 WeakPolarHBondContact O-CB 3.34Å; R75-S78 PolarHBondContact O-N 2.94Å; R75-K92 HydrophobicContact CB-CB 4.02Å; R75-K92 HydrophobicContact CG-CB 4.42Å; R75-D133 VanDerWaalsContact CA-OD1 3.28Å; R75-D133 WeakPolarHBondContact CA-OD1 3.48Å; R75-D133 WeakPolarHBondContact CB-OD1 3.42Å
76	N	93.1	Very high	94.7	Very high	53 Å²	53	58.3 Å²	58.3	28%	0.283	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	141.1	174.1	-171.1	34.5	0	0	0	111.9	S78 E130 D133	N76-S78 PolarHBondContact O-N 3.4Å; N76-S78 VanDerWaalsContact O-N 3.13Å; N76-E130 PolarHBondContact ND2-N 2.84Å; N76-D133 PolarHBondContact N-OD1 2.94Å
77	G	88.8	Confident	94.6	Very high	75 Å²	75	53.8 Å²	53.8	77%	0.773	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	9.2	-179.3	0	0	0	0	0	116.1
78	S	91.2	Very high	94.5	Very high	31 Å²	31	57 Å²	57	22%	0.217	29%	0.288	C	S	.	.	S	Bend	trans	-94.1	157.2	173.7	-70.8	0	0	0	0	112.7	R75 N76	R75-S78 WeakPolarHBondContact CG-OG 3.31Å; R75-S78 PolarHBondContact NE-OG 2.94Å; R75-S78 PolarHBondContact NH2-OG 2.83Å; R75-S78 WeakPolarHBondContact O-CB 3.34Å; R75-S78 PolarHBondContact O-N 2.94Å; N76-S78 PolarHBondContact O-N 3.4Å; N76-S78 VanDerWaalsContact O-N 3.13Å
79	P	90.1	Very high	94.5	Very high	109 Å²	109	58.2 Å²	58.2	71%	0.708	30%	0.297	S	S	*	.			trans	-55.1	145	166.8	-22.3	33	0	0	0	110.7	C81	P79-C81 PolarHBondContact O-N 3.16Å
80	Q	89.1	Confident	94.5	Very high	150 Å²	150	56.8 Å²	56.8	70%	0.701	30%	0.301	S	S	*	.			trans	-45.8	134.4	179.2	-176.1	177.9	-9.1	0	0	111.2	N82	Q80-N82 PolarHBondContact O-N 3.01Å
81	C	89.9	Confident	94.5	Very high	11 Å²	11	58.8 Å²	58.8	7%	0.074	31%	0.31	C	S	.	.			trans	-77.8	108.8	175.3	-155.5	0	0	0	0	111	C26 E74 P79 R83 R85	C26-C81 HydrophobicContact CB-CB 3.53Å; C26-C81 WeakPolarHBondContact CB-SG 3.41Å; C26-C81 WeakPolarHBondContact SG-CB 3.48Å; C26-C81 CovalentContact SG-SG 1.96Å; C26-C81 PolarHBondContact SG-SG 3.18Å; E74-C81 HydrophobicContact CB-CB 3.9Å; E74-C81 WeakPolarHBondContact OE2-CB 3.16Å; E74-C81 PolarHBondContact OE2-N 2.81Å; P79-C81 PolarHBondContact O-N 3.16Å; C81-R83 PolarHBondContact O-N 3.46Å; C81-R85 PolarHBondContact SG-NE 3.08Å; C81-R85 PolarHBondContact SG-NH2 3.04Å
82	N	92	Very high	94.5	Very high	101 Å²	101	60.9 Å²	60.9	54%	0.54	32%	0.319	S	S	.	.			trans	-59.4	134.4	174.4	-66	-19.2	0	0	0	110.8	C26 Q80 G84 R85	C26-N82 WeakPolarHBondContact CB-O 3.46Å; Q80-N82 PolarHBondContact O-N 3.01Å; N82-G84 PolarHBondContact O-N 2.76Å; N82-R85 VanDerWaalsContact O-CB 3.24Å; N82-R85 WeakPolarHBondContact O-CB 3.35Å; N82-R85 PolarHBondContact O-N 2.83Å
83	R	93	Very high	94.5	Very high	174 Å²	174	60.9 Å²	60.9	66%	0.657	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	130	175.6	175.1	169.5	-178.1	179.1	8.2	110.3	C26 C81 R85 I197 I200	C26-R83 WeakPolarHBondContact O-CA 3.48Å; C81-R83 PolarHBondContact O-N 3.46Å; R83-R85 VanDerWaalsContact C-N 3.34Å; R83-I197 HydrophobicContact CG-CB 4.47Å; R83-I197 HydrophobicContact CG-CD1 3.65Å; R83-I197 HydrophobicContact CG-CG1 4.35Å; R83-I197 HydrophobicContact CG-CG2 3.63Å; R83-I200 WeakPolarHBondContact O-CD1 3.31Å
84	G	93.6	Very high	94.5	Very high	2 Å²	2	60.7 Å²	60.7	2%	0.021	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	84	0.5	-179.4	0	0	0	0	0	114.9	C26 N82 V86 P199 I200	C26-G84 PolarHBondContact O-N 2.77Å; N82-G84 PolarHBondContact O-N 2.76Å; G84-V86 PolarHBondContact O-N 2.85Å; G84-P199 WeakPolarHBondContact O-CA 3.25Å; G84-I200 PolarHBondContact O-N 3.18Å
85	R	94.6	Very high	94.7	Very high	94 Å²	94	59.2 Å²	59.2	36%	0.355	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-69.3	121.2	169.7	-171.6	175.3	83	-157.9	5.2	110.1	T25 C26 C81 N82 R83	T25-R85 CarbonylContact C-O 3.52Å; T25-R85 VanDerWaalsContact CA-O 3.24Å; T25-R85 WeakPolarHBondContact CA-O 3.3Å; T25-R85 WeakPolarHBondContact CB-O 3.48Å; C26-R85 HydrophobicContact CB-CB 4.45Å; C26-R85 PolarHBondContact N-O 2.91Å; C81-R85 PolarHBondContact SG-NE 3.08Å; C81-R85 PolarHBondContact SG-NH2 3.04Å; N82-R85 VanDerWaalsContact O-CB 3.24Å; N82-R85 WeakPolarHBondContact O-CB 3.35Å; N82-R85 PolarHBondContact O-N 2.83Å; R83-R85 VanDerWaalsContact C-N 3.34Å
86	V	95.7	Very high	94.8	Very high	20 Å²	20	54.3 Å²	54.3	12%	0.121	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-61.5	138.1	179.8	-176	0	0	0	0	111.8	Q20 T23 T25 G84 Y142 P199	Q20-V86 HydrophobicContact CG-CG2 4.47Å; T23-V86 HydrophobicContact CG2-CG1 4.16Å; T25-V86 HydrophobicContact CG2-CG2 4.25Å; G84-V86 PolarHBondContact O-N 2.85Å; V86-Y142 HydrophobicContact CB-CD1 4.42Å; V86-Y142 HydrophobicContact CB-CE1 4.49Å; V86-Y142 HydrophobicContact CG1-CD1 3.32Å; V86-Y142 HydrophobicContact CG1-CE1 3.78Å; V86-Y142 HydrophobicContact CG1-CG 3.83Å; V86-P199 HydrophobicContact CG2-CB 3.68Å; V86-P199 HydrophobicContact CG2-CG 3.88Å
87	I	97.3	Very high	95.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-90.6	125.5	173.5	-52.3	-58.6	0	0	0	110.4	V24 C26 V72 Q91 I93 I136 W143	V24-I87 WeakPolarHBondContact O-CG1 3.14Å; V24-I87 PolarHBondContact O-N 3.17Å; C26-I87 WeakPolarHBondContact SG-CD1 3.19Å; V72-I87 HydrophobicContact CG1-CD1 4.04Å; V72-I87 HydrophobicContact CG1-CG1 4.04Å; I87-Q91 HydrophobicContact CG2-CB 4.11Å; I87-Q91 HydrophobicContact CG2-CG 4.47Å; I87-I93 HydrophobicContact CD1-CG2 4.1Å; I87-I93 HydrophobicContact CG2-CG2 4.13Å; I87-I136 HydrophobicContact CG2-CG1 4.1Å; I87-W143 HydrophobicContact CB-CB 4.31Å; I87-W143 HydrophobicContact CB-CE3 4.07Å; I87-W143 HydrophobicContact CG1-CE3 4.28Å; I87-W143 HydrophobicContact CG2-CB 4.34Å; I87-W143 HydrophobicContact CG2-CE3 3.88Å; I87-W143 PolarHBondContact O-N 2.81Å
88	K	96.6	Very high	95.5	Very high	114 Å²	114	51.7 Å²	51.7	50%	0.496	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-83.2	149.7	175.2	-64.1	-178.4	-179.1	-177.3	0	111.8	G90 Q91 V141 Y142	K88-G90 PolarHBondContact O-N 2.75Å; K88-Q91 HydrophobicContact CB-CB 4.29Å; K88-Q91 VanDerWaalsContact N-OE1 3.09Å; K88-Q91 WeakPolarHBondContact O-CB 3.39Å; K88-Q91 PolarHBondContact O-N 2.8Å; K88-V141 WeakPolarHBondContact CA-O 3.43Å; K88-Y142 HydrophobicContact CG-CD1 3.91Å; K88-Y142 HydrophobicContact CG-CE1 3.87Å
89	C	98.2	Very high	95.8	Very high	27 Å²	27	53.2 Å²	53.2	18%	0.182	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	138.2	162.6	-64.4	0	0	0	0	109	Q91 C138 G140 V141 Y142	C89-Q91 VanDerWaalsContact C-N 3.28Å; C89-Q91 PolarHBondContact O-N 3.01Å; C89-C138 WeakPolarHBondContact CA-SG 3.47Å; C89-C138 HydrophobicContact CB-CB 4.24Å; C89-C138 WeakPolarHBondContact CB-SG 3.33Å; C89-C138 VanDerWaalsContact SG-C 3.56Å; C89-C138 WeakPolarHBondContact SG-CB 3.27Å; C89-C138 PolarHBondContact SG-O 2.84Å; C89-C138 CovalentContact SG-SG 2.03Å; C89-C138 PolarHBondContact SG-SG 2.84Å; C89-G140 WeakPolarHBondContact CB-O 3.48Å; C89-G140 PolarHBondContact SG-O 2.85Å; C89-V141 PolarHBondContact N-O 2.81Å; C89-Y142 PolarHBondContact SG-O 3.27Å; C89-Y142 VanDerWaalsContact SG-O 3.4Å
90	G	98.3	Very high	96.1	Very high	34 Å²	34	48.9 Å²	48.9	35%	0.351	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-4.7	-172.2	0	0	0	0	0	114.8	K88 Q135 I136	K88-G90 PolarHBondContact O-N 2.75Å; G90-Q135 WeakPolarHBondContact O-CG 3.46Å; G90-Q135 PolarHBondContact O-NE2 3.48Å; G90-I136 VanDerWaalsContact CA-O 3.23Å; G90-I136 WeakPolarHBondContact CA-O 3.43Å; G90-I136 PolarHBondContact N-O 3.23Å
91	Q	98	Very high	96.5	Very high	41 Å²	41	45.9 Å²	45.9	19%	0.192	22%	0.224	C	C	.	.			trans	-74.5	142.9	177.3	-171.8	174.5	-38.7	0	0	111.4	I87 K88 C89 I93 Q135 I136	I87-Q91 HydrophobicContact CG2-CB 4.11Å; I87-Q91 HydrophobicContact CG2-CG 4.47Å; K88-Q91 HydrophobicContact CB-CB 4.29Å; K88-Q91 VanDerWaalsContact N-OE1 3.09Å; K88-Q91 WeakPolarHBondContact O-CB 3.39Å; K88-Q91 PolarHBondContact O-N 2.8Å; C89-Q91 VanDerWaalsContact C-N 3.28Å; C89-Q91 PolarHBondContact O-N 3.01Å; Q91-I93 HydrophobicContact CG-CG2 4.48Å; Q91-Q135 WeakPolarHBondContact O-CA 3.47Å; Q91-I136 PolarHBondContact O-N 2.78Å
92	K	98.3	Very high	96.9	Very high	86 Å²	86	48 Å²	48	37%	0.374	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.2	173.3	-58.2	-178	-177.1	-173.5	0	110.2	R75 W134 Q135 I154	R75-K92 HydrophobicContact CB-CB 4.02Å; R75-K92 HydrophobicContact CG-CB 4.42Å; K92-W134 CarbonylContact C-O 3.51Å; K92-W134 WeakPolarHBondContact CA-O 3.42Å; K92-Q135 HydrophobicContact CG-CB 4.43Å; K92-I154 HydrophobicContact CD-CD1 3.89Å; K92-I154 HydrophobicContact CD-CG1 4.08Å; K92-I154 HydrophobicContact CG-CD1 3.99Å; K92-I154 HydrophobicContact CG-CG1 4.37Å
93	I	98.3	Very high	97.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	172.4	-178.3	64	161.7	0	0	0	110.1	V72 V73 I87 Q91 L95 W134 I136 W143	V72-I93 HydrophobicContact CG1-CD1 4.02Å; V72-I93 HydrophobicContact CG1-CG2 4.5Å; V73-I93 WeakPolarHBondContact O-CB 3.39Å; I87-I93 HydrophobicContact CD1-CG2 4.1Å; I87-I93 HydrophobicContact CG2-CG2 4.13Å; Q91-I93 HydrophobicContact CG-CG2 4.48Å; I93-L95 HydrophobicContact CD1-CD2 4Å; I93-L95 HydrophobicContact CD1-CG 4.15Å; I93-W134 PolarHBondContact N-O 3.25Å; I93-W134 PolarHBondContact O-N 3.46Å; I93-I136 HydrophobicContact CD1-CD1 3.45Å; I93-I136 VanDerWaalsContact CD1-CD1 3.45Å; I93-I136 HydrophobicContact CD1-CG1 3.99Å; I93-I136 HydrophobicContact CG1-CD1 3.87Å; I93-I136 HydrophobicContact CG1-CG1 4.16Å; I93-W143 HydrophobicContact CD1-CH2 4.34Å; I93-W143 HydrophobicContact CD1-CZ3 3.77Å
94	R	98.3	Very high	97.5	Very high	13 Å²	13	35.2 Å²	35.2	5%	0.049	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	153.2	158.1	-59.4	178.2	-71.3	170.3	2.2	109.6	V73 E74 Y103 G126 D132 D133	V73-R94 HydrophobicContact CG2-CB 3.86Å; V73-R94 PolarHBondContact N-O 3.13Å; V73-R94 PolarHBondContact O-N 2.96Å; V73-R94 VanDerWaalsContact O-N 3.08Å; E74-R94 WeakPolarHBondContact O-CG 3.45Å; E74-R94 PolarHBondContact O-NE 3.19Å; E74-R94 IonicContact OE1-NH2 3.39Å; E74-R94 PolarHBondContact OE1-NH2 3.43Å; R94-Y103 HydrophobicContact CB-CD1 3.67Å; R94-Y103 HydrophobicContact CB-CE1 3.92Å; R94-Y103 HydrophobicContact CB-CG 4.41Å; R94-Y103 HydrophobicContact CG-CD1 4.43Å; R94-Y103 VanDerWaalsContact CZ-CZ 3.43Å; R94-Y103 VanDerWaalsContact CZ-OH 3.27Å; R94-Y103 PolarHBondContact NH1-OH 2.81Å; R94-Y103 PolarHBondContact NH2-OH 3.43Å; R94-G126 PolarHBondContact NH1-O 2.92Å; R94-D132 HydrophobicContact CG-CB 3.94Å; R94-D132 WeakPolarHBondContact CG-O 3.28Å; R94-D133 WeakPolarHBondContact CG-OD1 3.48Å
95	L	98.7	Very high	97.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	115.9	172.1	-70.1	167.9	0	0	0	108.2	L32 W70 V72 I93 Y103 L104 L151	L32-L95 HydrophobicContact CD1-CD1 3.57Å; W70-L95 HydrophobicContact CB-CB 4.44Å; W70-L95 HydrophobicContact CB-CD2 4.45Å; W70-L95 HydrophobicContact CE3-CB 4.11Å; V72-L95 HydrophobicContact CG2-CD2 3.98Å; I93-L95 HydrophobicContact CD1-CD2 4Å; I93-L95 HydrophobicContact CD1-CG 4.15Å; L95-Y103 CarbonylContact O-C 3.54Å; L95-Y103 WeakPolarHBondContact O-CA 3.4Å; L95-L104 HydrophobicContact CB-CB 4.02Å; L95-L104 HydrophobicContact CB-CD2 4.49Å; L95-L104 HydrophobicContact CD1-CD2 3.82Å; L95-L104 PolarHBondContact O-N 3.08Å; L95-L151 HydrophobicContact CD1-CD1 3.84Å; L95-L151 HydrophobicContact CD1-CD2 4.14Å
96	M	98.2	Very high	98	Very high	5 Å²	5	31 Å²	31	3%	0.025	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.9	-178.1	-176.4	173.5	42.8	0	0	110.7	W70 Q71 V73 L98 R101 K102 Y103	W70-M96 CarbonylContact C-O 3.51Å; W70-M96 WeakPolarHBondContact CA-O 3.26Å; Q71-M96 HydrophobicContact CB-CB 4.41Å; Q71-M96 HydrophobicContact CB-CE 4.15Å; Q71-M96 HydrophobicContact CG-CE 4.4Å; Q71-M96 PolarHBondContact N-O 2.8Å; Q71-M96 PolarHBondContact O-N 3.15Å; V73-M96 HydrophobicContact CG1-CE 4.02Å; M96-L98 PolarHBondContact O-N 3.4Å; M96-R101 VanDerWaalsContact CE-NH2 3.25Å; M96-R101 PolarHBondContact SD-NH1 2.86Å; M96-R101 PolarHBondContact SD-NH2 2.64Å; M96-R101 VanDerWaalsContact SD-NH2 3.42Å; M96-K102 CarbonylContact C-O 3.57Å; M96-K102 WeakPolarHBondContact CA-O 3.39Å; M96-Y103 HydrophobicContact CB-CD1 3.78Å; M96-Y103 HydrophobicContact CB-CE1 3.68Å; M96-Y103 HydrophobicContact CG-CD1 4.25Å; M96-Y103 HydrophobicContact CG-CE1 4.05Å; M96-Y103 HydrophobicContact SD-CE1 4.19Å
97	H	98.5	Very high	98.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	125.7	173.2	-172	-137	0	0	0	110.2	S43 N67 W70 S99 T100 R101 K102	S43-H97 PolarHBondContact O-CE1 3.35Å; N67-H97 PolarHBondContact O-NE2 3.34Å; W70-H97 HydrophobicContact CD2-CB 4.42Å; W70-H97 HydrophobicContact CE3-CB 3.86Å; W70-H97 VanDerWaalsContact CE3-N 3.31Å; W70-H97 HydrophobicContact CH2-CB 3.85Å; W70-H97 HydrophobicContact CZ2-CB 4.39Å; W70-H97 HydrophobicContact CZ3-CB 3.56Å; H97-S99 PolarHBondContact CE1-OG 2.82Å; H97-S99 PolarHBondContact ND1-OG 2.88Å; H97-S99 PolarHBondContact NE2-OG 2.95Å; H97-T100 PolarHBondContact ND1-OG1 3.2Å; H97-R101 VanDerWaalsContact O-CA 3.27Å; H97-R101 WeakPolarHBondContact O-CA 3.39Å; H97-R101 PolarHBondContact O-N 3.13Å; H97-K102 WeakPolarHBondContact CB-O 3.33Å; H97-K102 PolarHBondContact N-O 3.31Å
98	L	97.5	Very high	98.1	Very high	73 Å²	73	37.7 Å²	37.7	38%	0.382	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-43.4	-169.1	-173.7	62.2	0	0	0	112.5	V29 Y69 M96 R101	V29-L98 HydrophobicContact CG1-CD2 4.1Å; Y69-L98 PolarHBondContact O-N 3.22Å; M96-L98 PolarHBondContact O-N 3.4Å; L98-R101 WeakPolarHBondContact O-CD 3.45Å
99	S	97.6	Very high	98.2	Very high	63 Å²	63	36.8 Å²	36.8	44%	0.441	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-36.7	-174.4	61.5	0	0	0	0	112.8	N67 H97	N67-S99 WeakPolarHBondContact OD1-CB 3.19Å; N67-S99 PolarHBondContact OD1-OG 3.35Å; H97-S99 PolarHBondContact CE1-OG 2.82Å; H97-S99 PolarHBondContact ND1-OG 2.88Å; H97-S99 PolarHBondContact NE2-OG 2.95Å
100	T	97.4	Very high	98.2	Very high	19 Å²	19	41.8 Å²	41.8	12%	0.117	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-8	-175.8	66.1	0	0	0	0	113.9	E45 Q55 H97 K102	E45-T100 HydrophobicContact CG-CG2 4.22Å; Q55-T100 VanDerWaalsContact NE2-CG2 3.29Å; Q55-T100 PolarHBondContact OE1-OG1 2.72Å; H97-T100 PolarHBondContact ND1-OG1 3.2Å; T100-K102 PolarHBondContact O-N 3.43Å; T100-K102 VanDerWaalsContact O-N 3.13Å
101	R	97.3	Very high	98.2	Very high	86 Å²	86	40.2 Å²	40.2	33%	0.325	19%	0.19	S	C	.	.			trans	57.2	24.5	-178.7	-52	-62.6	-65.1	161.7	-0.8	113.8	M96 H97 L98 N125	M96-R101 VanDerWaalsContact CE-NH2 3.25Å; M96-R101 PolarHBondContact SD-NH1 2.86Å; M96-R101 PolarHBondContact SD-NH2 2.64Å; M96-R101 VanDerWaalsContact SD-NH2 3.42Å; H97-R101 VanDerWaalsContact O-CA 3.27Å; H97-R101 WeakPolarHBondContact O-CA 3.39Å; H97-R101 PolarHBondContact O-N 3.13Å; L98-R101 WeakPolarHBondContact O-CD 3.45Å; R101-N125 PolarHBondContact O-N 2.76Å
102	K	98.3	Very high	98.2	Very high	57 Å²	57	40 Å²	40	25%	0.248	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-97.5	154.2	175.6	-65.2	-164.6	178.6	-83.8	0	110.9	Q55 M96 H97 T100 A121 F122 G123	Q55-K102 HydrophobicContact CB-CD 4.21Å; M96-K102 CarbonylContact C-O 3.57Å; M96-K102 WeakPolarHBondContact CA-O 3.39Å; H97-K102 WeakPolarHBondContact CB-O 3.33Å; H97-K102 PolarHBondContact N-O 3.31Å; T100-K102 PolarHBondContact O-N 3.43Å; T100-K102 VanDerWaalsContact O-N 3.13Å; K102-A121 HydrophobicContact CB-CB 3.77Å; K102-A121 HydrophobicContact CD-CB 4.22Å; K102-F122 CarbonylContact C-O 3.58Å; K102-F122 VanDerWaalsContact CA-O 3.26Å; K102-F122 WeakPolarHBondContact CA-O 3.27Å; K102-F122 VanDerWaalsContact CB-O 3.27Å; K102-F122 WeakPolarHBondContact CB-O 3.27Å; K102-G123 WeakPolarHBondContact CG-O 3.48Å; K102-G123 PolarHBondContact NZ-O 3.42Å
103	Y	98.7	Very high	98.2	Very high	6 Å²	6	38.6 Å²	38.6	2%	0.024	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	145.5	177.2	-65.5	-65.5	0	0	0	112	V73 R94 L95 M96 H105 A121 F122 G126 D132	V73-Y103 HydrophobicContact CG2-CE1 3.68Å; R94-Y103 HydrophobicContact CB-CD1 3.67Å; R94-Y103 HydrophobicContact CB-CE1 3.92Å; R94-Y103 HydrophobicContact CB-CG 4.41Å; R94-Y103 HydrophobicContact CG-CD1 4.43Å; R94-Y103 VanDerWaalsContact CZ-CZ 3.43Å; R94-Y103 VanDerWaalsContact CZ-OH 3.27Å; R94-Y103 PolarHBondContact NH1-OH 2.81Å; R94-Y103 PolarHBondContact NH2-OH 3.43Å; L95-Y103 CarbonylContact O-C 3.54Å; L95-Y103 WeakPolarHBondContact O-CA 3.4Å; M96-Y103 HydrophobicContact CB-CD1 3.78Å; M96-Y103 HydrophobicContact CB-CE1 3.68Å; M96-Y103 HydrophobicContact CG-CD1 4.25Å; M96-Y103 HydrophobicContact CG-CE1 4.05Å; M96-Y103 HydrophobicContact SD-CE1 4.19Å; Y103-H105 PolarHBondContact O-N 3.33Å; Y103-A121 CarbonylContact O-C 3.36Å; Y103-A121 WeakPolarHBondContact O-CA 3.35Å; Y103-F122 PolarHBondContact N-O 3.41Å; Y103-F122 PolarHBondContact O-N 3.49Å; Y103-G126 VanDerWaalsContact OH-CA 3.26Å; Y103-G126 WeakPolarHBondContact OH-CA 3.27Å; Y103-G126 PolarHBondContact OH-O 2.86Å; Y103-D132 VanDerWaalsContact CB-CG 3.46Å; Y103-D132 HydrophobicContact CD2-CB 4.49Å; Y103-D132 WeakPolarHBondContact CD2-OD2 3.21Å; Y103-D132 HydrophobicContact CG-CB 4.18Å
104	L	98.9	Very high	98.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	121.7	165.5	-177.1	68.6	0	0	0	108.3	L41 V57 W70 L95 V119 W134 L160	L41-L104 HydrophobicContact CD1-CD1 4.34Å; L41-L104 HydrophobicContact CD2-CD1 4.11Å; L41-L104 HydrophobicContact CD2-CD2 3.98Å; V57-L104 HydrophobicContact CG1-CD1 3.84Å; V57-L104 HydrophobicContact CG2-CD1 4.28Å; W70-L104 HydrophobicContact CE3-CB 4.24Å; W70-L104 HydrophobicContact CH2-CB 4.34Å; W70-L104 HydrophobicContact CH2-CD1 4.09Å; W70-L104 HydrophobicContact CZ3-CB 3.74Å; W70-L104 HydrophobicContact CZ3-CD1 4.32Å; L95-L104 HydrophobicContact CB-CB 4.02Å; L95-L104 HydrophobicContact CB-CD2 4.49Å; L95-L104 HydrophobicContact CD1-CD2 3.82Å; L95-L104 PolarHBondContact O-N 3.08Å; L104-V119 HydrophobicContact CD1-CG1 3.48Å; L104-V119 VanDerWaalsContact CD1-CG1 3.48Å; L104-V119 HydrophobicContact CG-CG1 4.35Å; L104-W134 HydrophobicContact CD2-CD2 4.25Å; L104-W134 HydrophobicContact CD2-CZ2 4Å; L104-W134 HydrophobicContact CG-CZ2 3.88Å; L104-W134 PolarHBondContact O-NE1 3.35Å; L104-L160 HydrophobicContact CD1-CD1 4.45Å; L104-L160 HydrophobicContact CD2-CD1 4.19Å; L104-L160 HydrophobicContact CD2-CD2 4.07Å
105	H	98.8	Very high	98.2	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.028	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	151.8	-167.4	-174.7	90.2	0	0	0	111.3	Y103 H107 V119 S120 F122 D129 G131 D132	Y103-H105 PolarHBondContact O-N 3.33Å; H105-H107 AromaticContact NE2-CG 3.84Å; H105-H107 AromaticContact NE2-ND1 3.67Å; H105-V119 VanDerWaalsContact O-CA 3.27Å; H105-V119 WeakPolarHBondContact O-CA 3.34Å; H105-V119 WeakPolarHBondContact O-CG1 3.28Å; H105-S120 PolarHBondContact CD2-OG 3.25Å; H105-S120 PolarHBondContact N-O 3.2Å; H105-S120 PolarHBondContact O-N 2.96Å; H105-F122 HydrophobicContact CB-CB 3.47Å; H105-F122 VanDerWaalsContact CB-CB 3.47Å; H105-F122 AromaticContact CE1-CD1 3.75Å; H105-F122 AromaticContact CE1-CG 3.92Å; H105-F122 WeakPolarHBondContact ND1-CB 3.38Å; H105-F122 AromaticContact ND1-CD1 3.61Å; H105-F122 AromaticContact ND1-CG 3.74Å; H105-D129 IonicContact CE1-OD1 3.1Å; H105-D129 PolarHBondContact CE1-OD1 2.91Å; H105-D129 IonicContact CE1-OD2 2.96Å; H105-D129 IonicContact ND1-OD1 3.7Å; H105-G131 VanDerWaalsContact CA-O 3.28Å; H105-G131 WeakPolarHBondContact CA-O 3.31Å; H105-G131 PolarHBondContact ND1-O 3.04Å; H105-D132 IonicContact CE1-OD1 3.94Å; H105-D132 IonicContact CG-OD1 2.86Å; H105-D132 IonicContact ND1-OD1 3.86Å; H105-D132 PolarHBondContact ND1-OD1 3.37Å
106	S	98.8	Very high	98.2	Very high	1 Å²	1	44 Å²	44	1%	0.007	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	161.4	167.2	-168.3	0	0	0	0	111.2	E118 G131 H153 S179	S106-E118 WeakPolarHBondContact CA-O 3.32Å; S106-E118 WeakPolarHBondContact CB-O 3.3Å; S106-E118 PolarHBondContact OG-O 2.85Å; S106-G131 PolarHBondContact N-O 3Å; S106-H153 VanDerWaalsContact C-CE1 3.43Å; S106-H153 PolarHBondContact O-CE1 2.77Å; S106-H153 PolarHBondContact O-NE2 3.13Å; S106-S179 WeakPolarHBondContact OG-CB 3.42Å
107	H	98.3	Very high	98.2	Very high	28 Å²	28	47.4 Å²	47.4	13%	0.13	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	176.2	-170.6	52.4	178.5	0	0	0	110.8	S52 Q54 H105 F109 E118	S52-H107 WeakPolarHBondContact CB-CE1 3.42Å; S52-H107 PolarHBondContact OG-CE1 2.91Å; Q54-H107 PolarHBondContact OE1-CE1 3.24Å; H105-H107 AromaticContact NE2-CG 3.84Å; H105-H107 AromaticContact NE2-ND1 3.67Å; H107-F109 AromaticContact CD2-CD2 3.93Å; H107-F109 AromaticContact CE1-CD2 3.51Å; H107-F109 AromaticContact CG-CD2 3.7Å; H107-F109 AromaticContact ND1-CD2 3.39Å; H107-F109 WeakPolarHBondContact ND1-CD2 3.44Å; H107-F109 AromaticContact ND1-CE2 3.81Å; H107-F109 AromaticContact NE2-CD2 3.8Å; H107-F109 PolarHBondContact O-N 2.9Å; H107-E118 IonicContact CD2-OE1 3.95Å; H107-E118 IonicContact CE1-OE1 3.63Å; H107-E118 IonicContact NE2-OE1 3.55Å; H107-E118 PolarHBondContact NE2-OE1 3.26Å
108	H	97.7	Very high	98.2	Very high	133 Å²	133	47.4 Å²	47.4	62%	0.616	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	43.2	-177.6	-65	-61.5	0	0	0	114	Y117	H108-Y117 AromaticContact ND1-CD1 3.99Å; H108-Y117 AromaticContact ND1-CE1 3.42Å; H108-Y117 WeakPolarHBondContact ND1-CE1 3.48Å; H108-Y117 AromaticContact ND1-CZ 3.81Å
109	F	98.6	Very high	98.3	Very high	95 Å²	95	43.9 Å²	43.9	42%	0.417	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	149.3	163.6	-76.7	-95	0	0	0	109.8	G51 H107 Y117 E118	G51-F109 VanDerWaalsContact C-CD1 3.43Å; H107-F109 AromaticContact CD2-CD2 3.93Å; H107-F109 AromaticContact CE1-CD2 3.51Å; H107-F109 AromaticContact CG-CD2 3.7Å; H107-F109 AromaticContact ND1-CD2 3.39Å; H107-F109 WeakPolarHBondContact ND1-CD2 3.44Å; H107-F109 AromaticContact ND1-CE2 3.81Å; H107-F109 AromaticContact NE2-CD2 3.8Å; H107-F109 PolarHBondContact O-N 2.9Å; F109-Y117 CarbonylContact O-C 3.56Å; F109-Y117 WeakPolarHBondContact O-CA 3.48Å; F109-E118 HydrophobicContact CB-CB 3.97Å; F109-E118 PolarHBondContact O-N 3.37Å
110	Q	98.5	Very high	98.4	Very high	132 Å²	132	40.9 Å²	40.9	62%	0.617	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	137.7	175.1	-169.8	-176.6	-59.7	0	0	110.3	N116	Q110-N116 CarbonylContact C-O 3.53Å; Q110-N116 WeakPolarHBondContact CA-O 3.49Å
111	S	98.5	Very high	98.4	Very high	1 Å²	1	40 Å²	40	1%	0.007	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-60.9	148.2	171.9	-42.5	0	0	0	0	111.3	L113 S114 N116 Y117 E118 E176 S178	S111-L113 VanDerWaalsContact C-N 3.33Å; S111-L113 PolarHBondContact O-N 2.85Å; S111-S114 VanDerWaalsContact O-O 3.07Å; S111-N116 PolarHBondContact N-O 2.87Å; S111-N116 VanDerWaalsContact OG-C 3.27Å; S111-N116 PolarHBondContact OG-O 2.95Å; S111-N116 VanDerWaalsContact OG-O 3.13Å; S111-Y117 PolarHBondContact OG-O 2.84Å; S111-E118 PolarHBondContact OG-N 3.48Å; S111-E176 WeakPolarHBondContact CB-OE1 3.39Å; S111-S178 WeakPolarHBondContact OG-CB 3.37Å
112	P	97.8	Very high	98.5	Very high	35 Å²	35	38.8 Å²	38.8	23%	0.227	19%	0.19	C	C	.	.	S	Bend	trans	-61.6	-33.8	-173.4	-27.5	36.1	0	0	0	115.4	Y48 Y167	Y48-P112 HydrophobicContact CD1-CG 3.55Å; Y48-P112 HydrophobicContact CE1-CG 3.75Å; Y48-P112 HydrophobicContact CG-CG 4.04Å; P112-Y167 HydrophobicContact CB-CE1 3.92Å; P112-Y167 HydrophobicContact CG-CE1 4.25Å; P112-Y167 WeakPolarHBondContact CG-OH 3.42Å
113	L	98.4	Very high	98.3	Very high	57 Å²	57	36.5 Å²	36.5	30%	0.298	18%	0.183	S	C	.	.	S	Bend	trans	-110.9	-27.7	-174.3	-48.4	-176.6	0	0	0	112.3	S111 K165 R166 Y167 E176	S111-L113 VanDerWaalsContact C-N 3.33Å; S111-L113 PolarHBondContact O-N 2.85Å; L113-K165 HydrophobicContact CB-CB 3.88Å; L113-K165 HydrophobicContact CB-CD 3.69Å; L113-K165 HydrophobicContact CB-CG 4.44Å; L113-K165 HydrophobicContact CD1-CB 3.89Å; L113-K165 WeakPolarHBondContact O-CD 3.36Å; L113-K165 WeakPolarHBondContact O-CE 3.11Å; L113-K165 PolarHBondContact O-NZ 2.74Å; L113-R166 WeakPolarHBondContact CD1-O 3.04Å; L113-Y167 HydrophobicContact CD1-CD1 3.84Å; L113-Y167 HydrophobicContact CD1-CD2 4.31Å; L113-Y167 HydrophobicContact CD1-CE1 3.89Å; L113-Y167 HydrophobicContact CD1-CE2 4.37Å; L113-Y167 HydrophobicContact CD1-CG 4.04Å; L113-Y167 HydrophobicContact CD2-CD1 4.17Å; L113-Y167 HydrophobicContact CD2-CE1 4.08Å; L113-Y167 HydrophobicContact CG-CD1 4.11Å; L113-Y167 HydrophobicContact CG-CE1 3.78Å; L113-E176 VanDerWaalsContact CA-OE1 3.3Å; L113-E176 WeakPolarHBondContact CA-OE1 3.09Å; L113-E176 HydrophobicContact CB-CB 4.49Å; L113-E176 WeakPolarHBondContact CB-OE1 3.26Å; L113-E176 HydrophobicContact CD1-CB 4.06Å; L113-E176 HydrophobicContact CG-CB 4.45Å; L113-E176 PolarHBondContact N-OE1 2.91Å
114	S	98.3	Very high	98	Very high	5 Å²	5	40.7 Å²	40.7	4%	0.035	21%	0.206	C	C	.	.	S	Bend	trans	-120.8	156.6	-178.4	64	0	0	0	0	113.7	S111 N116 E176	S111-S114 VanDerWaalsContact O-O 3.07Å; S114-N116 PolarHBondContact O-N 2.8Å; S114-N116 PolarHBondContact OG-ND2 2.77Å; S114-N116 VanDerWaalsContact OG-ND2 3.17Å; S114-E176 WeakPolarHBondContact CB-OE2 3.38Å; S114-E176 PolarHBondContact N-OE1 3.23Å; S114-E176 PolarHBondContact N-OE2 2.89Å; S114-E176 PolarHBondContact OG-OE2 3.13Å
115	P	97.4	Very high	97.3	Very high	103 Å²	103	46.3 Å²	46.3	67%	0.669	24%	0.236	S	C	*	.	S	Bend	trans	-79	45.3	176.2	35.8	-37.6	0	0	0	111.7
116	N	98.6	Very high	96.4	Very high	19 Å²	19	47.5 Å²	47.5	10%	0.102	25%	0.25	C	C	.	.	S	Bend	trans	-109.3	178.2	176.6	-71.2	-34.6	0	0	0	109.7	Q110 S111 S114 S178 T180	Q110-N116 CarbonylContact C-O 3.53Å; Q110-N116 WeakPolarHBondContact CA-O 3.49Å; S111-N116 PolarHBondContact N-O 2.87Å; S111-N116 VanDerWaalsContact OG-C 3.27Å; S111-N116 PolarHBondContact OG-O 2.95Å; S111-N116 VanDerWaalsContact OG-O 3.13Å; S114-N116 PolarHBondContact O-N 2.8Å; S114-N116 PolarHBondContact OG-ND2 2.77Å; S114-N116 VanDerWaalsContact OG-ND2 3.17Å; N116-S178 PolarHBondContact ND2-OG 2.96Å; N116-S178 VanDerWaalsContact ND2-OG 3.17Å; N116-T180 WeakPolarHBondContact OD1-CB 3.22Å; N116-T180 PolarHBondContact OD1-OG1 3.38Å
117	Y	98.8	Very high	95.9	Very high	76 Å²	76	52.7 Å²	52.7	30%	0.298	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	134.9	171.6	-60.9	-57.3	0	0	0	110.8	H108 F109 S111 T156 S179	H108-Y117 AromaticContact ND1-CD1 3.99Å; H108-Y117 AromaticContact ND1-CE1 3.42Å; H108-Y117 WeakPolarHBondContact ND1-CE1 3.48Å; H108-Y117 AromaticContact ND1-CZ 3.81Å; F109-Y117 CarbonylContact O-C 3.56Å; F109-Y117 WeakPolarHBondContact O-CA 3.48Å; S111-Y117 PolarHBondContact OG-O 2.84Å; Y117-T156 HydrophobicContact CD2-CG2 4.48Å; Y117-T156 HydrophobicContact CG-CG2 4.46Å; Y117-S179 WeakPolarHBondContact CB-O 3.42Å; Y117-S179 PolarHBondContact N-O 3.13Å; Y117-S179 PolarHBondContact O-N 3.2Å
118	E	98.8	Very high	95.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	137.3	175.6	-166.8	-173.7	83.4	0	0	110.6	Y48 G51 S52 S106 H107 F109 S111	Y48-E118 HydrophobicContact CD2-CG 3.91Å; Y48-E118 HydrophobicContact CE2-CG 3.58Å; G51-E118 WeakPolarHBondContact CA-OE2 3.41Å; S52-E118 WeakPolarHBondContact CB-OE1 3.41Å; S52-E118 PolarHBondContact N-OE2 3.4Å; S52-E118 VanDerWaalsContact N-OE2 3.15Å; S52-E118 PolarHBondContact OG-OE1 2.93Å; S106-E118 WeakPolarHBondContact CA-O 3.32Å; S106-E118 WeakPolarHBondContact CB-O 3.3Å; S106-E118 PolarHBondContact OG-O 2.85Å; H107-E118 IonicContact CD2-OE1 3.95Å; H107-E118 IonicContact CE1-OE1 3.63Å; H107-E118 IonicContact NE2-OE1 3.55Å; H107-E118 PolarHBondContact NE2-OE1 3.26Å; F109-E118 HydrophobicContact CB-CB 3.97Å; F109-E118 PolarHBondContact O-N 3.37Å; S111-E118 PolarHBondContact OG-N 3.48Å
119	V	98.9	Very high	95.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.5	167.3	172.7	0	0	0	0	107.4	Y48 V57 L104 H105 W134 L160 V177	Y48-V119 VanDerWaalsContact CE2-O 3.26Å; Y48-V119 WeakPolarHBondContact CE2-O 3.35Å; Y48-V119 PolarHBondContact OH-O 3.03Å; V57-V119 HydrophobicContact CB-CG1 4.07Å; V57-V119 HydrophobicContact CG1-CG1 3.94Å; L104-V119 HydrophobicContact CD1-CG1 3.48Å; L104-V119 VanDerWaalsContact CD1-CG1 3.48Å; L104-V119 HydrophobicContact CG-CG1 4.35Å; H105-V119 VanDerWaalsContact O-CA 3.27Å; H105-V119 WeakPolarHBondContact O-CA 3.34Å; H105-V119 WeakPolarHBondContact O-CG1 3.28Å; V119-W134 HydrophobicContact CG2-CH2 4.11Å; V119-L160 HydrophobicContact CG1-CD1 3.93Å; V119-L160 HydrophobicContact CG2-CD1 4.06Å; V119-V177 HydrophobicContact CB-CG1 3.99Å; V119-V177 HydrophobicContact CG1-CG1 3.79Å; V119-V177 HydrophobicContact CG2-CG1 4.36Å
120	S	98.8	Very high	95.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	177.3	-173.9	60.4	0	0	0	0	109.8	Q54 Q55 V57 H105	Q54-S120 PolarHBondContact OE1-OG 2.77Å; Q55-S120 CarbonylContact O-C 3.59Å; Q55-S120 WeakPolarHBondContact O-CA 3.44Å; Q55-S120 WeakPolarHBondContact O-CB 3.39Å; V57-S120 WeakPolarHBondContact CG2-O 2.99Å; H105-S120 PolarHBondContact CD2-OG 3.25Å; H105-S120 PolarHBondContact N-O 3.2Å; H105-S120 PolarHBondContact O-N 2.96Å
121	A	98.8	Very high	95.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.1	165.2	0	0	0	0	0	109.6	Q55 V57 K102 Y103	Q55-A121 HydrophobicContact CB-CB 4.04Å; Q55-A121 HydrophobicContact CG-CB 3.74Å; Q55-A121 PolarHBondContact O-N 3.28Å; V57-A121 HydrophobicContact CG2-CB 3.91Å; K102-A121 HydrophobicContact CB-CB 3.77Å; K102-A121 HydrophobicContact CD-CB 4.22Å; Y103-A121 CarbonylContact O-C 3.36Å; Y103-A121 WeakPolarHBondContact O-CA 3.35Å
122	F	98.1	Very high	95.3	Very high	59 Å²	59	43.4 Å²	43.4	26%	0.259	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	167.4	-172.5	-178.5	-105.7	0	0	0	112.8	K102 Y103 H105 D129	K102-F122 CarbonylContact C-O 3.58Å; K102-F122 VanDerWaalsContact CA-O 3.26Å; K102-F122 WeakPolarHBondContact CA-O 3.27Å; K102-F122 VanDerWaalsContact CB-O 3.27Å; K102-F122 WeakPolarHBondContact CB-O 3.27Å; Y103-F122 PolarHBondContact N-O 3.41Å; Y103-F122 PolarHBondContact O-N 3.49Å; H105-F122 HydrophobicContact CB-CB 3.47Å; H105-F122 VanDerWaalsContact CB-CB 3.47Å; H105-F122 AromaticContact CE1-CD1 3.75Å; H105-F122 AromaticContact CE1-CG 3.92Å; H105-F122 WeakPolarHBondContact ND1-CB 3.38Å; H105-F122 AromaticContact ND1-CD1 3.61Å; H105-F122 AromaticContact ND1-CG 3.74Å; F122-D129 HydrophobicContact CE1-CB 4.21Å; F122-D129 VanDerWaalsContact CE1-CG 3.5Å; F122-D129 WeakPolarHBondContact CE1-OD2 3.26Å
123	G	95.3	Very high	95.4	Very high	10 Å²	10	42.4 Å²	42.4	10%	0.103	24%	0.24	C	C	.	.			trans	79.8	-172.6	178.3	0	0	0	0	0	113.6	K102 V127	K102-G123 WeakPolarHBondContact CG-O 3.48Å; K102-G123 PolarHBondContact NZ-O 3.42Å; G123-V127 CarbonylContact C-O 3.56Å; G123-V127 WeakPolarHBondContact CA-O 3.07Å
124	N	91	Very high	95.4	Very high	93 Å²	93	39.7 Å²	39.7	50%	0.497	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-158.6	133	177.2	-167	11.2	0	0	0	110.5	G126 V127	N124-G126 VanDerWaalsContact C-N 3.27Å; N124-G126 PolarHBondContact O-N 2.8Å; N124-G126 VanDerWaalsContact O-N 3.11Å; N124-V127 PolarHBondContact N-O 3.18Å; N124-V127 WeakPolarHBondContact O-CB 3.41Å; N124-V127 PolarHBondContact O-N 3.31Å
125	N	84.5	Confident	95.4	Very high	118 Å²	118	41.6 Å²	41.6	63%	0.631	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	47	44.2	170.4	-70.4	-34.2	0	0	0	114.9	R101 V127	R101-N125 PolarHBondContact O-N 2.76Å; N125-V127 VanDerWaalsContact C-N 3.35Å
126	G	79.7	Confident	95.5	Very high	31 Å²	31	36.7 Å²	36.7	32%	0.32	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.1	-15.1	177.9	0	0	0	0	0	115.1	R94 Y103 N124	R94-G126 PolarHBondContact NH1-O 2.92Å; Y103-G126 VanDerWaalsContact OH-CA 3.26Å; Y103-G126 WeakPolarHBondContact OH-CA 3.27Å; Y103-G126 PolarHBondContact OH-O 2.86Å; N124-G126 VanDerWaalsContact C-N 3.27Å; N124-G126 PolarHBondContact O-N 2.8Å; N124-G126 VanDerWaalsContact O-N 3.11Å
127	V	88.2	Confident	95.5	Very high	110 Å²	110	38.1 Å²	38.1	67%	0.667	21%	0.21	S	C	*	.	B	Isolated β-bridge	trans	-90.4	124.2	175.9	-174.6	0	0	0	0	109	G123 N124 N125	G123-V127 CarbonylContact C-O 3.56Å; G123-V127 WeakPolarHBondContact CA-O 3.07Å; N124-V127 PolarHBondContact N-O 3.18Å; N124-V127 WeakPolarHBondContact O-CB 3.41Å; N124-V127 PolarHBondContact O-N 3.31Å; N125-V127 VanDerWaalsContact C-N 3.35Å
128	G	93	Very high	95.5	Very high	21 Å²	21	35.6 Å²	35.6	22%	0.216	20%	0.203	C	C	.	.			trans	-152.7	-160.6	-178.8	0	0	0	0	0	109.5	D132	G128-D132 WeakPolarHBondContact CA-OD2 3.46Å
129	D	95.5	Very high	95.2	Very high	46 Å²	46	43.1 Å²	43.1	25%	0.246	24%	0.243	C	C	.	.			trans	-141.8	-169.8	-179.3	68.2	24.6	0	0	0	112.6	H105 F122 G131 D132	H105-D129 IonicContact CE1-OD1 3.1Å; H105-D129 PolarHBondContact CE1-OD1 2.91Å; H105-D129 IonicContact CE1-OD2 2.96Å; H105-D129 IonicContact ND1-OD1 3.7Å; F122-D129 HydrophobicContact CE1-CB 4.21Å; F122-D129 VanDerWaalsContact CE1-CG 3.5Å; F122-D129 WeakPolarHBondContact CE1-OD2 3.26Å; D129-G131 PolarHBondContact O-N 2.93Å; D129-G131 WeakPolarHBondContact OD1-CA 3.04Å; D129-G131 PolarHBondContact OD1-N 3.11Å; D129-D132 PolarHBondContact N-OD2 3.49Å; D129-D132 WeakPolarHBondContact O-CB 3.24Å; D129-D132 PolarHBondContact O-N 3.14Å
130	E	95.2	Very high	95	Very high	123 Å²	123	46.2 Å²	46.2	58%	0.575	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-65.6	-15.9	178.8	66	-84.3	-166.5	0	0	114.8	N76 D132 S155	N76-E130 PolarHBondContact ND2-N 2.84Å; E130-D132 PolarHBondContact O-N 3.36Å; E130-S155 PolarHBondContact O-OG 3.14Å
131	G	98.3	Very high	94.8	Very high	5 Å²	5	50.8 Å²	50.8	5%	0.052	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-77.7	-1.9	174.2	0	0	0	0	0	113.7	H105 S106 D129 H153	H105-G131 VanDerWaalsContact CA-O 3.28Å; H105-G131 WeakPolarHBondContact CA-O 3.31Å; H105-G131 PolarHBondContact ND1-O 3.04Å; S106-G131 PolarHBondContact N-O 3Å; D129-G131 PolarHBondContact O-N 2.93Å; D129-G131 WeakPolarHBondContact OD1-CA 3.04Å; D129-G131 PolarHBondContact OD1-N 3.11Å; G131-H153 VanDerWaalsContact C-NE2 3.35Å; G131-H153 PolarHBondContact O-NE2 3.43Å
132	D	98.6	Very high	94.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-93	-8.3	177.4	-59	-28.7	0	0	0	113	R94 Y103 H105 G128 D129 E130	R94-D132 HydrophobicContact CG-CB 3.94Å; R94-D132 WeakPolarHBondContact CG-O 3.28Å; Y103-D132 VanDerWaalsContact CB-CG 3.46Å; Y103-D132 HydrophobicContact CD2-CB 4.49Å; Y103-D132 WeakPolarHBondContact CD2-OD2 3.21Å; Y103-D132 HydrophobicContact CG-CB 4.18Å; H105-D132 IonicContact CE1-OD1 3.94Å; H105-D132 IonicContact CG-OD1 2.86Å; H105-D132 IonicContact ND1-OD1 3.86Å; H105-D132 PolarHBondContact ND1-OD1 3.37Å; G128-D132 WeakPolarHBondContact CA-OD2 3.46Å; D129-D132 PolarHBondContact N-OD2 3.49Å; D129-D132 WeakPolarHBondContact O-CB 3.24Å; D129-D132 PolarHBondContact O-N 3.14Å; E130-D132 PolarHBondContact O-N 3.36Å
133	D	98.6	Very high	94.6	Very high	13 Å²	13	49.3 Å²	49.3	7%	0.07	30%	0.295	C	S	.	.			trans	-86	124.6	-171.3	-81.2	-5.9	0	0	0	112.2	R75 N76 R94 H153 I154	R75-D133 VanDerWaalsContact CA-OD1 3.28Å; R75-D133 WeakPolarHBondContact CA-OD1 3.48Å; R75-D133 WeakPolarHBondContact CB-OD1 3.42Å; N76-D133 PolarHBondContact N-OD1 2.94Å; R94-D133 WeakPolarHBondContact CG-OD1 3.48Å; D133-H153 PolarHBondContact O-CD2 3.04Å; D133-H153 VanDerWaalsContact O-CD2 3.27Å; D133-I154 HydrophobicContact CB-CB 4.16Å; D133-I154 HydrophobicContact CB-CG1 3.84Å; D133-I154 WeakPolarHBondContact O-CG1 3.44Å; D133-I154 PolarHBondContact O-N 3.47Å
134	W	98.9	Very high	94.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.2	175.8	-60.1	81.2	0	0	0	110.7	K92 I93 L104 V119 L151 K152 H153 L160	K92-W134 CarbonylContact C-O 3.51Å; K92-W134 WeakPolarHBondContact CA-O 3.42Å; I93-W134 PolarHBondContact N-O 3.25Å; I93-W134 PolarHBondContact O-N 3.46Å; L104-W134 HydrophobicContact CD2-CD2 4.25Å; L104-W134 HydrophobicContact CD2-CZ2 4Å; L104-W134 HydrophobicContact CG-CZ2 3.88Å; L104-W134 PolarHBondContact O-NE1 3.35Å; V119-W134 HydrophobicContact CG2-CH2 4.11Å; W134-L151 HydrophobicContact CB-CD2 4.11Å; W134-L151 HydrophobicContact CE3-CB 3.82Å; W134-L151 HydrophobicContact CZ3-CB 4.46Å; W134-K152 CarbonylContact C-O 3.55Å; W134-K152 WeakPolarHBondContact CA-O 3.36Å; W134-H153 HydrophobicContact CD2-CB 4.21Å; W134-H153 AromaticContact CE2-CD2 3.78Å; W134-H153 HydrophobicContact CE3-CB 3.72Å; W134-H153 HydrophobicContact CH2-CB 3.81Å; W134-H153 HydrophobicContact CZ2-CB 4.26Å; W134-H153 AromaticContact CZ2-CD2 3.92Å; W134-H153 HydrophobicContact CZ3-CB 3.51Å; W134-L160 HydrophobicContact CE3-CB 4.39Å; W134-L160 HydrophobicContact CH2-CB 4.25Å; W134-L160 HydrophobicContact CH2-CD1 3.85Å; W134-L160 HydrophobicContact CZ2-CD1 4.45Å; W134-L160 HydrophobicContact CZ3-CB 3.74Å; W134-L160 HydrophobicContact CZ3-CD1 4.2Å
135	Q	98.8	Very high	94.9	Very high	45 Å²	45	51.7 Å²	51.7	21%	0.21	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	128.5	169.6	-176.1	172.2	36.9	0	0	110.6	G90 Q91 K92 I137 K152 I154	G90-Q135 WeakPolarHBondContact O-CG 3.46Å; G90-Q135 PolarHBondContact O-NE2 3.48Å; Q91-Q135 WeakPolarHBondContact O-CA 3.47Å; K92-Q135 HydrophobicContact CG-CB 4.43Å; Q135-I137 HydrophobicContact CB-CD1 4.46Å; Q135-I137 HydrophobicContact CG-CD1 3.72Å; Q135-I137 PolarHBondContact O-N 2.88Å; Q135-K152 HydrophobicContact CB-CB 4.37Å; Q135-K152 PolarHBondContact N-O 2.84Å; Q135-K152 PolarHBondContact O-N 3.49Å; Q135-I154 HydrophobicContact CB-CD1 3.73Å
136	I	98.8	Very high	95.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	118.6	169.6	-54.4	-51.2	0	0	0	108.9	I87 G90 Q91 I93 C138 W143 I149 L151	I87-I136 HydrophobicContact CG2-CG1 4.1Å; G90-I136 VanDerWaalsContact CA-O 3.23Å; G90-I136 WeakPolarHBondContact CA-O 3.43Å; G90-I136 PolarHBondContact N-O 3.23Å; Q91-I136 PolarHBondContact O-N 2.78Å; I93-I136 HydrophobicContact CD1-CD1 3.45Å; I93-I136 VanDerWaalsContact CD1-CD1 3.45Å; I93-I136 HydrophobicContact CD1-CG1 3.99Å; I93-I136 HydrophobicContact CG1-CD1 3.87Å; I93-I136 HydrophobicContact CG1-CG1 4.16Å; I136-C138 HydrophobicContact CG2-CB 4.4Å; I136-C138 VanDerWaalsContact CG2-SG 3.6Å; I136-W143 HydrophobicContact CD1-CD2 4.41Å; I136-W143 HydrophobicContact CD1-CE3 3.93Å; I136-W143 HydrophobicContact CD1-CH2 4.06Å; I136-W143 HydrophobicContact CD1-CZ3 3.75Å; I136-W143 HydrophobicContact CG1-CD2 4.35Å; I136-W143 HydrophobicContact CG1-CE3 3.83Å; I136-W143 HydrophobicContact CG1-CZ3 4.11Å; I136-W143 HydrophobicContact CG2-CB 4.11Å; I136-W143 HydrophobicContact CG2-CD2 4.06Å; I136-W143 HydrophobicContact CG2-CE3 4.38Å; I136-W143 HydrophobicContact CG2-CG 3.96Å; I136-I149 HydrophobicContact CG2-CG2 4.4Å; I136-L151 HydrophobicContact CD1-CD2 3.26Å; I136-L151 HydrophobicContact CD1-CG 4.49Å
137	I	98.6	Very high	96.3	Very high	50 Å²	50	51 Å²	51	26%	0.256	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.4	171.3	-52.1	-62.1	0	0	0	107.5	Q135 I149 R150 K152 Y159	Q135-I137 HydrophobicContact CB-CD1 4.46Å; Q135-I137 HydrophobicContact CG-CD1 3.72Å; Q135-I137 PolarHBondContact O-N 2.88Å; I137-I149 CarbonylContact O-C 3.52Å; I137-I149 VanDerWaalsContact O-CA 3.31Å; I137-I149 WeakPolarHBondContact O-CA 3.5Å; I137-R150 HydrophobicContact CB-CB 4.19Å; I137-R150 PolarHBondContact N-O 2.59Å; I137-R150 PolarHBondContact O-N 2.73Å; I137-K152 HydrophobicContact CG1-CB 4.08Å; I137-Y159 HydrophobicContact CG1-CE1 4.36Å
138	C	98.1	Very high	96.8	Very high	22 Å²	22	50.7 Å²	50.7	15%	0.149	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	162.5	179.3	47.8	0	0	0	0	111.1	C89 I136 I149	C89-C138 WeakPolarHBondContact CA-SG 3.47Å; C89-C138 HydrophobicContact CB-CB 4.24Å; C89-C138 WeakPolarHBondContact CB-SG 3.33Å; C89-C138 VanDerWaalsContact SG-C 3.56Å; C89-C138 WeakPolarHBondContact SG-CB 3.27Å; C89-C138 PolarHBondContact SG-O 2.84Å; C89-C138 CovalentContact SG-SG 2.03Å; C89-C138 PolarHBondContact SG-SG 2.84Å; I136-C138 HydrophobicContact CG2-CB 4.4Å; I136-C138 VanDerWaalsContact CG2-SG 3.6Å; C138-I149 HydrophobicContact CB-CB 4.41Å; C138-I149 HydrophobicContact CB-CG2 3.73Å
139	D	94	Very high	97.1	Very high	159 Å²	159	49.8 Å²	49.8	85%	0.85	28%	0.284	S	S	*	.	S	Bend	trans	-80.9	135.5	175	-62.5	-31.2	0	0	0	110.3
140	G	93.5	Very high	97.2	Very high	64 Å²	64	52.4 Å²	52.4	66%	0.66	29%	0.29	S	S	*	.	S	Bend	trans	94.8	-162.8	179.1	0	0	0	0	0	114.2	C89	C89-G140 WeakPolarHBondContact CB-O 3.48Å; C89-G140 PolarHBondContact SG-O 2.85Å
141	V	95.1	Very high	97.4	Very high	97 Å²	97	46.6 Å²	46.6	59%	0.588	26%	0.263	S	S	*	.	S	Bend	trans	-87.8	-35.8	-171.4	-176.5	0	0	0	0	111.9	K88 C89	K88-V141 WeakPolarHBondContact CA-O 3.43Å; C89-V141 PolarHBondContact N-O 2.81Å
142	Y	96.4	Very high	97.4	Very high	28 Å²	28	48 Å²	48	11%	0.11	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-127.6	147.9	-171.5	-59	-63.6	0	0	0	111.6	E16 Q20 T23 V86 K88 C89 K144	E16-Y142 PolarHBondContact OE1-OH 3.43Å; Q20-Y142 HydrophobicContact CG-CE2 4.06Å; T23-Y142 HydrophobicContact CG2-CD2 4.3Å; T23-Y142 HydrophobicContact CG2-CG 4.07Å; V86-Y142 HydrophobicContact CB-CD1 4.42Å; V86-Y142 HydrophobicContact CB-CE1 4.49Å; V86-Y142 HydrophobicContact CG1-CD1 3.32Å; V86-Y142 HydrophobicContact CG1-CE1 3.78Å; V86-Y142 HydrophobicContact CG1-CG 3.83Å; K88-Y142 HydrophobicContact CG-CD1 3.91Å; K88-Y142 HydrophobicContact CG-CE1 3.87Å; C89-Y142 PolarHBondContact SG-O 3.27Å; C89-Y142 VanDerWaalsContact SG-O 3.4Å; Y142-K144 PolarHBondContact O-N 2.97Å; Y142-K144 VanDerWaalsContact O-N 3.12Å
143	W	97.6	Very high	97.4	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.268	C	S	.	.			trans	-68.1	108.8	168.3	-178.3	10.6	0	0	0	109	T23 V24 L30 L32 V72 I87 I93 I136 I149 T191	T23-W143 CarbonylContact C-O 3.58Å; T23-W143 WeakPolarHBondContact CA-O 3.34Å; V24-W143 HydrophobicContact CB-CB 4.4Å; V24-W143 HydrophobicContact CB-CD2 3.72Å; V24-W143 HydrophobicContact CB-CE3 3.79Å; V24-W143 HydrophobicContact CB-CG 3.99Å; V24-W143 HydrophobicContact CB-CZ3 4.36Å; V24-W143 HydrophobicContact CG1-CD2 3.99Å; V24-W143 HydrophobicContact CG1-CE3 3.61Å; V24-W143 HydrophobicContact CG1-CH2 4.16Å; V24-W143 HydrophobicContact CG1-CZ2 4.48Å; V24-W143 HydrophobicContact CG1-CZ3 3.7Å; V24-W143 HydrophobicContact CG2-CD2 3.83Å; V24-W143 HydrophobicContact CG2-CE3 4.33Å; V24-W143 HydrophobicContact CG2-CG 3.98Å; V24-W143 HydrophobicContact CG2-CZ2 4.45Å; V24-W143 PolarHBondContact N-O 2.87Å; L30-W143 HydrophobicContact CD2-CH2 4.25Å; L30-W143 HydrophobicContact CD2-CZ2 4.44Å; L32-W143 HydrophobicContact CD2-CZ2 4.22Å; V72-W143 HydrophobicContact CG1-CZ3 4.27Å; V72-W143 HydrophobicContact CG2-CH2 4.07Å; V72-W143 HydrophobicContact CG2-CZ3 3.9Å; I87-W143 HydrophobicContact CB-CB 4.31Å; I87-W143 HydrophobicContact CB-CE3 4.07Å; I87-W143 HydrophobicContact CG1-CE3 4.28Å; I87-W143 HydrophobicContact CG2-CB 4.34Å; I87-W143 HydrophobicContact CG2-CE3 3.88Å; I87-W143 PolarHBondContact O-N 2.81Å; I93-W143 HydrophobicContact CD1-CH2 4.34Å; I93-W143 HydrophobicContact CD1-CZ3 3.77Å; I136-W143 HydrophobicContact CD1-CD2 4.41Å; I136-W143 HydrophobicContact CD1-CE3 3.93Å; I136-W143 HydrophobicContact CD1-CH2 4.06Å; I136-W143 HydrophobicContact CD1-CZ3 3.75Å; I136-W143 HydrophobicContact CG1-CD2 4.35Å; I136-W143 HydrophobicContact CG1-CE3 3.83Å; I136-W143 HydrophobicContact CG1-CZ3 4.11Å; I136-W143 HydrophobicContact CG2-CB 4.11Å; I136-W143 HydrophobicContact CG2-CD2 4.06Å; I136-W143 HydrophobicContact CG2-CE3 4.38Å; I136-W143 HydrophobicContact CG2-CG 3.96Å; W143-I149 VanDerWaalsContact CD1-CG2 3.44Å; W143-I149 HydrophobicContact CG-CG2 4.37Å; W143-I149 HydrophobicContact CH2-CD1 4.4Å; W143-I149 HydrophobicContact CZ2-CD1 3.5Å; W143-I149 VanDerWaalsContact CZ2-CD1 3.5Å; W143-T191 HydrophobicContact CH2-CG2 4.31Å; W143-T191 HydrophobicContact CZ2-CG2 3.29Å
144	K	96.7	Very high	97.4	Very high	95 Å²	95	49.1 Å²	49.1	41%	0.413	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-93.9	145	177.5	-70.9	-173.8	178.3	-171.4	0	111.6	T23 Y142 S147	T23-K144 HydrophobicContact CG2-CG 4.23Å; Y142-K144 PolarHBondContact O-N 2.97Å; Y142-K144 VanDerWaalsContact O-N 3.12Å; K144-S147 WeakPolarHBondContact CB-OG 3.45Å; K144-S147 WeakPolarHBondContact O-CB 3.27Å; K144-S147 PolarHBondContact O-N 3.36Å
145	Q	95.9	Very high	97.4	Very high	58 Å²	58	51.7 Å²	51.7	27%	0.271	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	145.5	173.1	-64.8	174.5	37.3	0	0	110	G22 T23 V24 S147 T191 Y196	G22-Q145 WeakPolarHBondContact O-CB 3.27Å; G22-Q145 VanDerWaalsContact O-CG 3.26Å; G22-Q145 WeakPolarHBondContact O-CG 3.5Å; G22-Q145 PolarHBondContact O-N 2.89Å; T23-Q145 PolarHBondContact O-NE2 2.99Å; V24-Q145 HydrophobicContact CG2-CG 3.96Å; Q145-S147 PolarHBondContact O-N 2.9Å; Q145-S147 PolarHBondContact O-OG 2.8Å; Q145-T191 WeakPolarHBondContact CA-OG1 3.43Å; Q145-Y196 VanDerWaalsContact CD-CD1 3.5Å; Q145-Y196 HydrophobicContact CG-CD1 3.65Å; Q145-Y196 HydrophobicContact CG-CE1 3.62Å; Q145-Y196 HydrophobicContact CG-CG 4.24Å
146	S	95.4	Very high	97.4	Very high	87 Å²	87	50 Å²	50	61%	0.608	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	4.8	-179.8	-55.1	0	0	0	0	115.8	T190 T191	S146-T190 WeakPolarHBondContact CA-OG1 3.2Å; S146-T190 PolarHBondContact O-OG1 2.83Å; S146-T190 VanDerWaalsContact O-OG1 3.08Å; S146-T191 WeakPolarHBondContact CA-O 3.24Å; S146-T191 PolarHBondContact N-O 2.88Å; S146-T191 PolarHBondContact N-OG1 2.84Å
147	S	97.3	Very high	97.3	Very high	48 Å²	48	54.9 Å²	54.9	34%	0.336	31%	0.307	S	S	.	.			trans	-89	146.3	177.4	-59.9	0	0	0	0	110.7	K144 Q145 I149	K144-S147 WeakPolarHBondContact CB-OG 3.45Å; K144-S147 WeakPolarHBondContact O-CB 3.27Å; K144-S147 PolarHBondContact O-N 3.36Å; Q145-S147 PolarHBondContact O-N 2.9Å; Q145-S147 PolarHBondContact O-OG 2.8Å; S147-I149 PolarHBondContact O-N 2.73Å
148	N	98.4	Very high	97.3	Very high	103 Å²	103	52.5 Å²	52.5	55%	0.551	30%	0.295	S	S	*	.			trans	-63.7	128.3	176.9	-72.4	-14.4	0	0	0	110.8	T188	N148-T188 HydrophobicContact CB-CG2 3.75Å
149	I	98.7	Very high	97.4	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	168.3	175.5	68	156.9	0	0	0	110.8	L32 I136 I137 C138 W143 S147 L151 T188 W189	L32-I149 HydrophobicContact CD2-CD1 4.14Å; I136-I149 HydrophobicContact CG2-CG2 4.4Å; I137-I149 CarbonylContact O-C 3.52Å; I137-I149 VanDerWaalsContact O-CA 3.31Å; I137-I149 WeakPolarHBondContact O-CA 3.5Å; C138-I149 HydrophobicContact CB-CB 4.41Å; C138-I149 HydrophobicContact CB-CG2 3.73Å; W143-I149 VanDerWaalsContact CD1-CG2 3.44Å; W143-I149 HydrophobicContact CG-CG2 4.37Å; W143-I149 HydrophobicContact CH2-CD1 4.4Å; W143-I149 HydrophobicContact CZ2-CD1 3.5Å; W143-I149 VanDerWaalsContact CZ2-CD1 3.5Å; S147-I149 PolarHBondContact O-N 2.73Å; I149-L151 HydrophobicContact CD1-CG 4.27Å; I149-T188 WeakPolarHBondContact O-CA 3.48Å; I149-W189 HydrophobicContact CG1-CB 4.17Å; I149-W189 WeakPolarHBondContact CG1-O 3.37Å; I149-W189 PolarHBondContact N-O 2.93Å; I149-W189 PolarHBondContact O-N 3.4Å
150	R	98.8	Very high	97.6	Very high	102 Å²	102	45.9 Å²	45.9	39%	0.385	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.7	163	-46.9	170.4	-168	147	11.2	108.3	I137 Y159 I187	I137-R150 HydrophobicContact CB-CB 4.19Å; I137-R150 PolarHBondContact N-O 2.59Å; I137-R150 PolarHBondContact O-N 2.73Å; R150-Y159 HydrophobicContact CB-CD1 3.96Å; R150-Y159 HydrophobicContact CB-CE1 4.45Å; R150-I187 HydrophobicContact CG-CD1 4.48Å; R150-I187 HydrophobicContact CG-CG1 4.07Å
151	L	98.9	Very high	97.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	107.1	176.2	-73	160.3	0	0	0	107.7	L32 L95 W134 I136 I149 Y159 L160	L32-L151 HydrophobicContact CD1-CD1 3.67Å; L95-L151 HydrophobicContact CD1-CD1 3.84Å; L95-L151 HydrophobicContact CD1-CD2 4.14Å; W134-L151 HydrophobicContact CB-CD2 4.11Å; W134-L151 HydrophobicContact CE3-CB 3.82Å; W134-L151 HydrophobicContact CZ3-CB 4.46Å; I136-L151 HydrophobicContact CD1-CD2 3.26Å; I136-L151 HydrophobicContact CD1-CG 4.49Å; I149-L151 HydrophobicContact CD1-CG 4.27Å; L151-Y159 CarbonylContact O-C 3.45Å; L151-Y159 VanDerWaalsContact O-CA 3.3Å; L151-Y159 WeakPolarHBondContact O-CA 3.2Å; L151-L160 HydrophobicContact CB-CB 3.85Å; L151-L160 HydrophobicContact CB-CD2 4.41Å; L151-L160 HydrophobicContact CD1-CD2 3.57Å; L151-L160 PolarHBondContact O-N 2.85Å
152	K	98.8	Very high	98	Very high	36 Å²	36	39.2 Å²	39.2	16%	0.157	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.4	176.8	-176.4	-177.6	175.3	-171.5	0	109.4	W134 Q135 I137 E157 G158 Y159	W134-K152 CarbonylContact C-O 3.55Å; W134-K152 WeakPolarHBondContact CA-O 3.36Å; Q135-K152 HydrophobicContact CB-CB 4.37Å; Q135-K152 PolarHBondContact N-O 2.84Å; Q135-K152 PolarHBondContact O-N 3.49Å; I137-K152 HydrophobicContact CG1-CB 4.08Å; K152-E157 WeakPolarHBondContact CE-O 3.22Å; K152-E157 VanDerWaalsContact CE-OE1 3.3Å; K152-E157 WeakPolarHBondContact CE-OE1 3.27Å; K152-E157 WeakPolarHBondContact CE-OE2 3.26Å; K152-E157 VanDerWaalsContact NZ-CD 3.3Å; K152-E157 IonicContact NZ-OE1 2.64Å; K152-E157 PolarHBondContact NZ-OE1 2.97Å; K152-E157 IonicContact NZ-OE2 3.59Å; K152-E157 PolarHBondContact NZ-OE2 3.36Å; K152-G158 CarbonylContact C-O 3.48Å; K152-G158 WeakPolarHBondContact CA-O 3.42Å; K152-Y159 HydrophobicContact CB-CD1 3.91Å; K152-Y159 HydrophobicContact CB-CE1 3.8Å; K152-Y159 HydrophobicContact CD-CE1 4.25Å; K152-Y159 HydrophobicContact CG-CD1 4.36Å; K152-Y159 HydrophobicContact CG-CE1 4.08Å
153	H	98.9	Very high	98.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	131.7	174.8	-172.8	-123.5	0	0	0	110.2	S106 G131 D133 W134 T156 E157 G158	S106-H153 VanDerWaalsContact C-CE1 3.43Å; S106-H153 PolarHBondContact O-CE1 2.77Å; S106-H153 PolarHBondContact O-NE2 3.13Å; G131-H153 VanDerWaalsContact C-NE2 3.35Å; G131-H153 PolarHBondContact O-NE2 3.43Å; D133-H153 PolarHBondContact O-CD2 3.04Å; D133-H153 VanDerWaalsContact O-CD2 3.27Å; W134-H153 HydrophobicContact CD2-CB 4.21Å; W134-H153 AromaticContact CE2-CD2 3.78Å; W134-H153 HydrophobicContact CE3-CB 3.72Å; W134-H153 HydrophobicContact CH2-CB 3.81Å; W134-H153 HydrophobicContact CZ2-CB 4.26Å; W134-H153 AromaticContact CZ2-CD2 3.92Å; W134-H153 HydrophobicContact CZ3-CB 3.51Å; H153-T156 PolarHBondContact ND1-N 2.77Å; H153-T156 PolarHBondContact ND1-OG1 2.86Å; H153-E157 WeakPolarHBondContact O-CA 3.43Å; H153-E157 PolarHBondContact O-N 2.87Å; H153-G158 PolarHBondContact N-O 3.29Å
154	I	98.5	Very high	98.1	Very high	36 Å²	36	40.6 Å²	40.6	19%	0.185	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-43.2	-173.7	-60.6	-55.7	0	0	0	112	K92 D133 Q135	K92-I154 HydrophobicContact CD-CD1 3.89Å; K92-I154 HydrophobicContact CD-CG1 4.08Å; K92-I154 HydrophobicContact CG-CD1 3.99Å; K92-I154 HydrophobicContact CG-CG1 4.37Å; D133-I154 HydrophobicContact CB-CB 4.16Å; D133-I154 HydrophobicContact CB-CG1 3.84Å; D133-I154 WeakPolarHBondContact O-CG1 3.44Å; D133-I154 PolarHBondContact O-N 3.47Å; Q135-I154 HydrophobicContact CB-CD1 3.73Å
155	S	98.2	Very high	98.2	Very high	53 Å²	53	40.8 Å²	40.8	37%	0.371	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-27.6	-170.6	-58.6	0	0	0	0	112.9	E130	E130-S155 PolarHBondContact O-OG 3.14Å
156	T	98.1	Very high	98.4	Very high	11 Å²	11	44.7 Å²	44.7	7%	0.067	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-5.3	179	66.6	0	0	0	0	114.2	Y117 H153 G158	Y117-T156 HydrophobicContact CD2-CG2 4.48Å; Y117-T156 HydrophobicContact CG-CG2 4.46Å; H153-T156 PolarHBondContact ND1-N 2.77Å; H153-T156 PolarHBondContact ND1-OG1 2.86Å; T156-G158 PolarHBondContact O-N 3.28Å
157	E	98.3	Very high	98.5	Very high	102 Å²	102	41.8 Å²	41.8	48%	0.477	21%	0.208	S	C	.	.			trans	59.3	4.3	-177.9	-64.1	-77.5	99.4	0	0	115.6	K152 H153	K152-E157 WeakPolarHBondContact CE-O 3.22Å; K152-E157 VanDerWaalsContact CE-OE1 3.3Å; K152-E157 WeakPolarHBondContact CE-OE1 3.27Å; K152-E157 WeakPolarHBondContact CE-OE2 3.26Å; K152-E157 VanDerWaalsContact NZ-CD 3.3Å; K152-E157 IonicContact NZ-OE1 2.64Å; K152-E157 PolarHBondContact NZ-OE1 2.97Å; K152-E157 IonicContact NZ-OE2 3.59Å; K152-E157 PolarHBondContact NZ-OE2 3.36Å; H153-E157 WeakPolarHBondContact O-CA 3.43Å; H153-E157 PolarHBondContact O-N 2.87Å
158	G	98.6	Very high	98.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-81.4	162.1	176.3	0	0	0	0	0	113.2	K152 H153 T156 S179 T180	K152-G158 CarbonylContact C-O 3.48Å; K152-G158 WeakPolarHBondContact CA-O 3.42Å; H153-G158 PolarHBondContact N-O 3.29Å; T156-G158 PolarHBondContact O-N 3.28Å; G158-S179 VanDerWaalsContact C-OG 3.24Å; G158-S179 WeakPolarHBondContact CA-OG 3.39Å; G158-S179 PolarHBondContact O-OG 3.15Å; G158-T180 WeakPolarHBondContact CA-O 3.38Å
159	Y	98.9	Very high	98.3	Very high	42 Å²	42	49.5 Å²	49.5	17%	0.165	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	140	177.1	-60.3	-89.9	0	0	0	111.1	I137 R150 L151 K152 H161 S179 T180 L183 I187	I137-Y159 HydrophobicContact CG1-CE1 4.36Å; R150-Y159 HydrophobicContact CB-CD1 3.96Å; R150-Y159 HydrophobicContact CB-CE1 4.45Å; L151-Y159 CarbonylContact O-C 3.45Å; L151-Y159 VanDerWaalsContact O-CA 3.3Å; L151-Y159 WeakPolarHBondContact O-CA 3.2Å; K152-Y159 HydrophobicContact CB-CD1 3.91Å; K152-Y159 HydrophobicContact CB-CE1 3.8Å; K152-Y159 HydrophobicContact CD-CE1 4.25Å; K152-Y159 HydrophobicContact CG-CD1 4.36Å; K152-Y159 HydrophobicContact CG-CE1 4.08Å; Y159-H161 WeakPolarHBondContact O-CB 3.5Å; Y159-H161 PolarHBondContact O-N 3.05Å; Y159-S179 WeakPolarHBondContact O-CA 3.1Å; Y159-T180 PolarHBondContact N-O 3.2Å; Y159-T180 PolarHBondContact O-N 3.1Å; Y159-L183 HydrophobicContact CD2-CD2 4.06Å; Y159-L183 HydrophobicContact CE2-CD2 3.61Å; Y159-I187 HydrophobicContact CD2-CD1 4.37Å; Y159-I187 HydrophobicContact CG-CD1 4.13Å
160	L	98.9	Very high	98.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	127.5	172	-170.5	71.1	0	0	0	109.9	L41 L104 V119 W134 L151 V177 I187 W189	L41-L160 HydrophobicContact CD1-CD2 4.26Å; L41-L160 HydrophobicContact CD2-CD2 4.18Å; L104-L160 HydrophobicContact CD1-CD1 4.45Å; L104-L160 HydrophobicContact CD2-CD1 4.19Å; L104-L160 HydrophobicContact CD2-CD2 4.07Å; V119-L160 HydrophobicContact CG1-CD1 3.93Å; V119-L160 HydrophobicContact CG2-CD1 4.06Å; W134-L160 HydrophobicContact CE3-CB 4.39Å; W134-L160 HydrophobicContact CH2-CB 4.25Å; W134-L160 HydrophobicContact CH2-CD1 3.85Å; W134-L160 HydrophobicContact CZ2-CD1 4.45Å; W134-L160 HydrophobicContact CZ3-CB 3.74Å; W134-L160 HydrophobicContact CZ3-CD1 4.2Å; L151-L160 HydrophobicContact CB-CB 3.85Å; L151-L160 HydrophobicContact CB-CD2 4.41Å; L151-L160 HydrophobicContact CD1-CD2 3.57Å; L151-L160 PolarHBondContact O-N 2.85Å; L160-V177 HydrophobicContact CD1-CG1 3.42Å; L160-V177 VanDerWaalsContact CD1-CG1 3.42Å; L160-V177 HydrophobicContact CG-CG1 4.2Å; L160-I187 WeakPolarHBondContact O-CA 3.2Å; L160-W189 HydrophobicContact CD2-CD2 4.2Å; L160-W189 HydrophobicContact CD2-CH2 4.34Å; L160-W189 HydrophobicContact CD2-CZ2 3.78Å; L160-W189 HydrophobicContact CG-CZ2 3.74Å; L160-W189 PolarHBondContact O-NE1 2.75Å
161	H	98.8	Very high	97.9	Very high	19 Å²	19	50.5 Å²	50.5	9%	0.088	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	146.5	-162.7	174.2	-110.9	0	0	0	111.9	Y159 V177 S178 T180 T184 A186 I187	Y159-H161 WeakPolarHBondContact O-CB 3.5Å; Y159-H161 PolarHBondContact O-N 3.05Å; H161-V177 WeakPolarHBondContact O-CA 3.45Å; H161-S178 WeakPolarHBondContact CB-O 3.35Å; H161-S178 PolarHBondContact N-O 2.85Å; H161-S178 PolarHBondContact ND1-OG 3.23Å; H161-S178 PolarHBondContact O-N 2.66Å; H161-T180 HydrophobicContact CB-CG2 3.64Å; H161-T180 VanDerWaalsContact CG-CG2 3.5Å; H161-T184 PolarHBondContact CD2-OG1 2.86Å; H161-T184 PolarHBondContact NE2-OG1 3.15Å; H161-A186 WeakPolarHBondContact CA-O 3.44Å; H161-I187 HydrophobicContact CB-CG2 4.07Å
162	L	98.8	Very high	97.8	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.5	163.8	-66.1	-169.5	0	0	0	110.6	N34 F37 A39 A59 G164 V177 A186 W189	N34-L162 HydrophobicContact CB-CD1 3.41Å; N34-L162 VanDerWaalsContact CB-CD1 3.41Å; N34-L162 HydrophobicContact CB-CG 3.93Å; F37-L162 HydrophobicContact CB-CD1 3.78Å; F37-L162 HydrophobicContact CD2-CB 3.58Å; F37-L162 HydrophobicContact CD2-CD1 3.76Å; F37-L162 HydrophobicContact CD2-CG 4.26Å; F37-L162 HydrophobicContact CE2-CB 3.73Å; F37-L162 HydrophobicContact CG-CB 4.43Å; F37-L162 HydrophobicContact CG-CD1 4Å; A39-L162 HydrophobicContact CB-CD1 4.03Å; A59-L162 HydrophobicContact CB-CD1 3.97Å; A59-L162 HydrophobicContact CB-CD2 3.62Å; A59-L162 HydrophobicContact CB-CG 4.46Å; L162-G164 PolarHBondContact O-N 3.02Å; L162-V177 HydrophobicContact CD2-CB 4.27Å; L162-V177 HydrophobicContact CD2-CG2 3.42Å; L162-V177 VanDerWaalsContact CD2-CG2 3.42Å; L162-A186 PolarHBondContact N-O 3.46Å; L162-A186 WeakPolarHBondContact O-CB 3.17Å; L162-W189 HydrophobicContact CD1-CH2 4.44Å; L162-W189 HydrophobicContact CD2-CH2 3.86Å; L162-W189 HydrophobicContact CD2-CZ2 4.21Å; L162-W189 HydrophobicContact CG-CH2 3.96Å; L162-W189 HydrophobicContact CG-CZ2 4.11Å
163	S	98.2	Very high	97.8	Very high	28 Å²	28	54.5 Å²	54.5	20%	0.196	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-8.1	-176.8	75.5	0	0	0	0	114.5	K165 E176	S163-K165 PolarHBondContact O-N 3.38Å; S163-K165 WeakPolarHBondContact OG-CB 3.28Å; S163-K165 PolarHBondContact OG-N 2.76Å; S163-E176 WeakPolarHBondContact CB-OE2 3.41Å; S163-E176 PolarHBondContact N-O 3.26Å; S163-E176 PolarHBondContact OG-OE2 3.36Å
164	G	97.9	Very high	97.7	Very high	30 Å²	30	56.1 Å²	56.1	31%	0.309	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.1	-8.6	-170.2	0	0	0	0	0	114.2	F37 L162	F37-G164 VanDerWaalsContact CZ-CA 3.48Å; L162-G164 PolarHBondContact O-N 3.02Å
165	K	98.5	Very high	97.8	Very high	98 Å²	98	55.7 Å²	55.7	43%	0.426	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	150.8	173.6	-58.7	-173	178.9	-165.9	0	110.2	L113 S163 Y175 E176	L113-K165 HydrophobicContact CB-CB 3.88Å; L113-K165 HydrophobicContact CB-CD 3.69Å; L113-K165 HydrophobicContact CB-CG 4.44Å; L113-K165 HydrophobicContact CD1-CB 3.89Å; L113-K165 WeakPolarHBondContact O-CD 3.36Å; L113-K165 WeakPolarHBondContact O-CE 3.11Å; L113-K165 PolarHBondContact O-NZ 2.74Å; S163-K165 PolarHBondContact O-N 3.38Å; S163-K165 WeakPolarHBondContact OG-CB 3.28Å; S163-K165 PolarHBondContact OG-N 2.76Å; K165-Y175 WeakPolarHBondContact O-CA 3.33Å; K165-E176 PolarHBondContact O-N 3.26Å
166	R	98.7	Very high	97.8	Very high	140 Å²	140	53.2 Å²	53.2	53%	0.528	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.2	179.6	-64.7	-179.2	-176.6	103.7	-5.4	110.6	L113 G173 Q174 Y175	L113-R166 WeakPolarHBondContact CD1-O 3.04Å; R166-G173 WeakPolarHBondContact CD-O 3.42Å; R166-Q174 CarbonylContact C-O 3.43Å; R166-Q174 WeakPolarHBondContact CA-O 3.28Å; R166-Y175 HydrophobicContact CG-CD1 3.74Å; R166-Y175 HydrophobicContact CG-CE1 4.04Å; R166-Y175 HydrophobicContact CG-CG 4.29Å; R166-Y175 VanDerWaalsContact CZ-CE1 3.41Å; R166-Y175 VanDerWaalsContact NH2-CE1 3.27Å; R166-Y175 VanDerWaalsContact NH2-CZ 3.28Å; R166-Y175 PolarHBondContact NH2-OH 2.81Å
167	Y	98.4	Very high	97.8	Very high	27 Å²	27	52.7 Å²	52.7	11%	0.106	28%	0.277	C	S	.	.			trans	-71.8	153.3	174.5	-68.7	-80.8	0	0	0	111.5	Y48 T58 P112 L113 I171 S172 G173 Q174 E176	Y48-Y167 WeakPolarHBondContact CE1-OH 3.08Å; T58-Y167 HydrophobicContact CG2-CD2 4.1Å; T58-Y167 HydrophobicContact CG2-CE2 3.88Å; P112-Y167 HydrophobicContact CB-CE1 3.92Å; P112-Y167 HydrophobicContact CG-CE1 4.25Å; P112-Y167 WeakPolarHBondContact CG-OH 3.42Å; L113-Y167 HydrophobicContact CD1-CD1 3.84Å; L113-Y167 HydrophobicContact CD1-CD2 4.31Å; L113-Y167 HydrophobicContact CD1-CE1 3.89Å; L113-Y167 HydrophobicContact CD1-CE2 4.37Å; L113-Y167 HydrophobicContact CD1-CG 4.04Å; L113-Y167 HydrophobicContact CD2-CD1 4.17Å; L113-Y167 HydrophobicContact CD2-CE1 4.08Å; L113-Y167 HydrophobicContact CG-CD1 4.11Å; L113-Y167 HydrophobicContact CG-CE1 3.78Å; Y167-I171 HydrophobicContact CD1-CD1 4.09Å; Y167-I171 HydrophobicContact CD2-CD1 3.63Å; Y167-I171 HydrophobicContact CD2-CG1 4.45Å; Y167-I171 HydrophobicContact CE2-CD1 4.19Å; Y167-I171 HydrophobicContact CG-CD1 3.58Å; Y167-I171 HydrophobicContact CG-CG1 4.02Å; Y167-S172 WeakPolarHBondContact O-CA 3.13Å; Y167-G173 PolarHBondContact O-N 3.47Å; Y167-Q174 PolarHBondContact N-O 3.17Å; Y167-E176 HydrophobicContact CE2-CB 3.91Å
168	S	96	Very high	97.9	Very high	90 Å²	90	47.8 Å²	47.8	63%	0.629	25%	0.254	S	S	*	.			trans	-95.3	-146.9	165.1	66.1	0	0	0	0	109	I171 S172	S168-I171 CarbonylContact O-C 3.17Å; S168-I171 PolarHBondContact O-N 3.38Å; S168-I171 VanDerWaalsContact O-N 3.1Å; S168-S172 WeakPolarHBondContact O-CA 3.25Å; S168-S172 PolarHBondContact O-N 3.17Å
169	R	94.6	Very high	97.9	Very high	222 Å²	222	47.8 Å²	47.8	84%	0.838	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	145.5	178.4	-65.8	-178	-179.7	-94.9	1	110.7	S172	R169-S172 PolarHBondContact N-OG 2.58Å
170	P	94.4	Very high	97.9	Very high	108 Å²	108	45.9 Å²	45.9	70%	0.701	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	cis	-84.1	-11	1.4	32.7	-34.1	0	0	0	114.7	V46	V46-P170 HydrophobicContact CG1-CG 4.1Å
171	I	96.2	Very high	97.8	Very high	17 Å²	17	49.9 Å²	49.9	9%	0.087	27%	0.273	C	S	.	.	S	Bend	trans	-108.6	50.9	-171.1	51.4	158.6	0	0	0	111.5	H44 V46 T58 Y167 S168 G173 Q174	H44-I171 WeakPolarHBondContact CE1-CG2 3.37Å; V46-I171 HydrophobicContact CB-CG2 4.29Å; V46-I171 HydrophobicContact CG1-CG2 4.21Å; V46-I171 HydrophobicContact CG2-CG2 3.95Å; T58-I171 HydrophobicContact CG2-CD1 3.81Å; Y167-I171 HydrophobicContact CD1-CD1 4.09Å; Y167-I171 HydrophobicContact CD2-CD1 3.63Å; Y167-I171 HydrophobicContact CD2-CG1 4.45Å; Y167-I171 HydrophobicContact CE2-CD1 4.19Å; Y167-I171 HydrophobicContact CG-CD1 3.58Å; Y167-I171 HydrophobicContact CG-CG1 4.02Å; S168-I171 CarbonylContact O-C 3.17Å; S168-I171 PolarHBondContact O-N 3.38Å; S168-I171 VanDerWaalsContact O-N 3.1Å; I171-G173 PolarHBondContact O-N 3.18Å; I171-Q174 HydrophobicContact CB-CG 4.46Å; I171-Q174 WeakPolarHBondContact O-CG 3.49Å; I171-Q174 PolarHBondContact O-N 2.62Å
172	S	96.4	Very high	97.7	Very high	77 Å²	77	55.3 Å²	55.3	54%	0.538	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	131	-168.5	-59.3	0	0	0	0	112.8	Y167 S168 R169 Q174	Y167-S172 WeakPolarHBondContact O-CA 3.13Å; S168-S172 WeakPolarHBondContact O-CA 3.25Å; S168-S172 PolarHBondContact O-N 3.17Å; R169-S172 PolarHBondContact N-OG 2.58Å; S172-Q174 VanDerWaalsContact C-N 3.3Å; S172-Q174 PolarHBondContact O-N 3.2Å
173	G	97.6	Very high	97.5	Very high	44 Å²	44	61.2 Å²	61.2	45%	0.454	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-11.6	173.6	0	0	0	0	0	115.2	R166 Y167 I171	R166-G173 WeakPolarHBondContact CD-O 3.42Å; Y167-G173 PolarHBondContact O-N 3.47Å; I171-G173 PolarHBondContact O-N 3.18Å
174	Q	98.7	Very high	97.4	Very high	33 Å²	33	62.6 Å²	62.6	15%	0.154	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-70.5	140.7	176.2	-54.5	-165.7	0.6	0	0	110.7	H44 T58 V60 R166 Y167 I171 S172	H44-Q174 PolarHBondContact CE1-OE1 3.38Å; T58-Q174 HydrophobicContact CG2-CB 4.31Å; T58-Q174 PolarHBondContact OG1-OE1 2.99Å; V60-Q174 HydrophobicContact CG1-CB 4.39Å; V60-Q174 HydrophobicContact CG1-CG 3.84Å; R166-Q174 CarbonylContact C-O 3.43Å; R166-Q174 WeakPolarHBondContact CA-O 3.28Å; Y167-Q174 PolarHBondContact N-O 3.17Å; I171-Q174 HydrophobicContact CB-CG 4.46Å; I171-Q174 WeakPolarHBondContact O-CG 3.49Å; I171-Q174 PolarHBondContact O-N 2.62Å; S172-Q174 VanDerWaalsContact C-N 3.3Å; S172-Q174 PolarHBondContact O-N 3.2Å
175	Y	98.8	Very high	97.3	Very high	28 Å²	28	67 Å²	67	11%	0.11	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	144.5	178.3	-63.4	-86.7	0	0	0	111.2	F37 A39 T58 A59 K165 R166 V177	F37-Y175 HydrophobicContact CD1-CD1 4.23Å; F37-Y175 AromaticContact CD1-CE1 3.61Å; F37-Y175 HydrophobicContact CD1-CE1 3.61Å; F37-Y175 HydrophobicContact CE1-CE1 4.18Å; F37-Y175 HydrophobicContact CG-CE1 4.29Å; A39-Y175 HydrophobicContact CB-CD2 3.79Å; A39-Y175 HydrophobicContact CB-CE2 3.84Å; T58-Y175 CarbonylContact C-O 3.52Å; T58-Y175 VanDerWaalsContact CA-O 3.28Å; T58-Y175 WeakPolarHBondContact CA-O 3.45Å; T58-Y175 WeakPolarHBondContact CB-O 3.29Å; A59-Y175 PolarHBondContact N-O 3.39Å; A59-Y175 WeakPolarHBondContact O-CD2 3.21Å; A59-Y175 PolarHBondContact O-N 2.86Å; K165-Y175 WeakPolarHBondContact O-CA 3.33Å; R166-Y175 HydrophobicContact CG-CD1 3.74Å; R166-Y175 HydrophobicContact CG-CE1 4.04Å; R166-Y175 HydrophobicContact CG-CG 4.29Å; R166-Y175 VanDerWaalsContact CZ-CE1 3.41Å; R166-Y175 VanDerWaalsContact NH2-CE1 3.27Å; R166-Y175 VanDerWaalsContact NH2-CZ 3.28Å; R166-Y175 PolarHBondContact NH2-OH 2.81Å; Y175-V177 PolarHBondContact O-N 2.63Å
176	E	98.8	Very high	97.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	121.5	166.8	174.4	-171.8	-120.5	0	0	110.4	S111 L113 S114 S163 K165 Y167	S111-E176 WeakPolarHBondContact CB-OE1 3.39Å; L113-E176 VanDerWaalsContact CA-OE1 3.3Å; L113-E176 WeakPolarHBondContact CA-OE1 3.09Å; L113-E176 HydrophobicContact CB-CB 4.49Å; L113-E176 WeakPolarHBondContact CB-OE1 3.26Å; L113-E176 HydrophobicContact CD1-CB 4.06Å; L113-E176 HydrophobicContact CG-CB 4.45Å; L113-E176 PolarHBondContact N-OE1 2.91Å; S114-E176 WeakPolarHBondContact CB-OE2 3.38Å; S114-E176 PolarHBondContact N-OE1 3.23Å; S114-E176 PolarHBondContact N-OE2 2.89Å; S114-E176 PolarHBondContact OG-OE2 3.13Å; S163-E176 WeakPolarHBondContact CB-OE2 3.41Å; S163-E176 PolarHBondContact N-O 3.26Å; S163-E176 PolarHBondContact OG-OE2 3.36Å; K165-E176 PolarHBondContact O-N 3.26Å; Y167-E176 HydrophobicContact CE2-CB 3.91Å
177	V	98.9	Very high	97.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	133.3	162.7	177.7	0	0	0	0	107.9	L41 V57 T58 A59 V119 L160 H161 L162 Y175	L41-V177 HydrophobicContact CD1-CB 4.44Å; L41-V177 HydrophobicContact CD1-CG1 3.89Å; L41-V177 HydrophobicContact CD1-CG2 3.84Å; V57-V177 HydrophobicContact CG1-CB 4.09Å; V57-V177 HydrophobicContact CG1-CG1 4.07Å; V57-V177 HydrophobicContact CG1-CG2 4.29Å; T58-V177 VanDerWaalsContact O-CG2 3.25Å; T58-V177 WeakPolarHBondContact O-CG2 3.39Å; A59-V177 HydrophobicContact CB-CG2 4.01Å; V119-V177 HydrophobicContact CB-CG1 3.99Å; V119-V177 HydrophobicContact CG1-CG1 3.79Å; V119-V177 HydrophobicContact CG2-CG1 4.36Å; L160-V177 HydrophobicContact CD1-CG1 3.42Å; L160-V177 VanDerWaalsContact CD1-CG1 3.42Å; L160-V177 HydrophobicContact CG-CG1 4.2Å; H161-V177 WeakPolarHBondContact O-CA 3.45Å; L162-V177 HydrophobicContact CD2-CB 4.27Å; L162-V177 HydrophobicContact CD2-CG2 3.42Å; L162-V177 VanDerWaalsContact CD2-CG2 3.42Å; Y175-V177 PolarHBondContact O-N 2.63Å
178	S	98.8	Very high	97.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	170.4	179.8	55.7	0	0	0	0	109.8	S111 N116 H161	S111-S178 WeakPolarHBondContact OG-CB 3.37Å; N116-S178 PolarHBondContact ND2-OG 2.96Å; N116-S178 VanDerWaalsContact ND2-OG 3.17Å; H161-S178 WeakPolarHBondContact CB-O 3.35Å; H161-S178 PolarHBondContact N-O 2.85Å; H161-S178 PolarHBondContact ND1-OG 3.23Å; H161-S178 PolarHBondContact O-N 2.66Å
179	S	98.8	Very high	97.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.7	170.5	175.5	0	0	0	0	109	S106 Y117 G158 Y159	S106-S179 WeakPolarHBondContact OG-CB 3.42Å; Y117-S179 WeakPolarHBondContact CB-O 3.42Å; Y117-S179 PolarHBondContact N-O 3.13Å; Y117-S179 PolarHBondContact O-N 3.2Å; G158-S179 VanDerWaalsContact C-OG 3.24Å; G158-S179 WeakPolarHBondContact CA-OG 3.39Å; G158-S179 PolarHBondContact O-OG 3.15Å; Y159-S179 WeakPolarHBondContact O-CA 3.1Å
180	T	98.7	Very high	97.6	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.4	-174.7	-165.3	0	0	0	0	111.7	N116 G158 Y159 H161 K182 I187	N116-T180 WeakPolarHBondContact OD1-CB 3.22Å; N116-T180 PolarHBondContact OD1-OG1 3.38Å; G158-T180 WeakPolarHBondContact CA-O 3.38Å; Y159-T180 PolarHBondContact N-O 3.2Å; Y159-T180 PolarHBondContact O-N 3.1Å; H161-T180 HydrophobicContact CB-CG2 3.64Å; H161-T180 VanDerWaalsContact CG-CG2 3.5Å; T180-K182 HydrophobicContact CG2-CB 4.31Å; T180-K182 WeakPolarHBondContact CG2-O 3.33Å; T180-K182 PolarHBondContact O-N 2.83Å; T180-K182 PolarHBondContact OG1-N 3.43Å; T180-I187 HydrophobicContact CG2-CG2 4.07Å
181	P	97.4	Very high	97.8	Very high	84 Å²	84	36.8 Å²	36.8	55%	0.545	21%	0.212	S	C	.	.	S	Bend	trans	-74.7	-10.8	171	31.6	-35.7	0	0	0	112.4
182	K	97.1	Very high	97.8	Very high	132 Å²	132	38 Å²	38	57%	0.574	22%	0.22	S	C	*	.	S	Bend	trans	-75.3	130.1	-177	-61.3	-177.5	-174.7	178.9	0	110.6	T180 T184	T180-K182 HydrophobicContact CG2-CB 4.31Å; T180-K182 WeakPolarHBondContact CG2-O 3.33Å; T180-K182 PolarHBondContact O-N 2.83Å; T180-K182 PolarHBondContact OG1-N 3.43Å; K182-T184 HydrophobicContact CB-CG2 4.27Å; K182-T184 PolarHBondContact O-N 2.78Å
183	L	94.5	Very high	97.8	Very high	125 Å²	125	36.9 Å²	36.9	65%	0.654	21%	0.207	S	C	*	.			trans	-81.5	109.6	174	-60	179.5	0	0	0	109.6	Y159 I187	Y159-L183 HydrophobicContact CD2-CD2 4.06Å; Y159-L183 HydrophobicContact CE2-CD2 3.61Å; L183-I187 HydrophobicContact CD2-CD1 3.83Å
184	T	95.5	Very high	97.8	Very high	58 Å²	58	36.3 Å²	36.3	36%	0.356	20%	0.201	S	C	.	.			trans	-135.1	166.3	178.6	69.3	0	0	0	0	109.7	H161 K182 A186 I187	H161-T184 PolarHBondContact CD2-OG1 2.86Å; H161-T184 PolarHBondContact NE2-OG1 3.15Å; K182-T184 HydrophobicContact CB-CG2 4.27Å; K182-T184 PolarHBondContact O-N 2.78Å; T184-A186 PolarHBondContact O-N 3.45Å; T184-A186 PolarHBondContact OG1-N 2.88Å; T184-I187 VanDerWaalsContact O-CG1 3.27Å; T184-I187 WeakPolarHBondContact O-CG1 3.27Å; T184-I187 PolarHBondContact O-N 2.86Å
185	N	96	Very high	97.7	Very high	122 Å²	122	39.4 Å²	39.4	65%	0.652	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-63	-33	174.7	-69	-19.2	0	0	0	112	I187 T188	N185-I187 PolarHBondContact O-N 2.52Å; N185-T188 WeakPolarHBondContact O-CB 3.07Å; N185-T188 PolarHBondContact O-N 2.8Å; N185-T188 PolarHBondContact O-OG1 3.39Å
186	A	98.3	Very high	97.6	Very high	6 Å²	6	40.3 Å²	40.3	5%	0.05	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-68.3	1.1	-178.7	0	0	0	0	0	115.2	N34 D36 F37 H161 L162 T184	N34-A186 PolarHBondContact ND2-O 2.8Å; D36-A186 HydrophobicContact CB-CB 4.43Å; F37-A186 HydrophobicContact CD2-CB 4.42Å; F37-A186 HydrophobicContact CE2-CB 3.73Å; H161-A186 WeakPolarHBondContact CA-O 3.44Å; L162-A186 PolarHBondContact N-O 3.46Å; L162-A186 WeakPolarHBondContact O-CB 3.17Å; T184-A186 PolarHBondContact O-N 3.45Å; T184-A186 PolarHBondContact OG1-N 2.88Å
187	I	98.8	Very high	97.5	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.015	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-91.4	-2.4	168.4	78.7	-168.1	0	0	0	113	R150 Y159 L160 H161 T180 L183 T184 N185	R150-I187 HydrophobicContact CG-CD1 4.48Å; R150-I187 HydrophobicContact CG-CG1 4.07Å; Y159-I187 HydrophobicContact CD2-CD1 4.37Å; Y159-I187 HydrophobicContact CG-CD1 4.13Å; L160-I187 WeakPolarHBondContact O-CA 3.2Å; H161-I187 HydrophobicContact CB-CG2 4.07Å; T180-I187 HydrophobicContact CG2-CG2 4.07Å; L183-I187 HydrophobicContact CD2-CD1 3.83Å; T184-I187 VanDerWaalsContact O-CG1 3.27Å; T184-I187 WeakPolarHBondContact O-CG1 3.27Å; T184-I187 PolarHBondContact O-N 2.86Å; N185-I187 PolarHBondContact O-N 2.52Å
188	T	98.8	Very high	97.1	Very high	21 Å²	21	45.3 Å²	45.3	13%	0.129	25%	0.252	C	S	.	.			trans	-90.8	129.9	-176.2	-52.1	0	0	0	0	110.4	N34 T35 N148 I149 N185	N34-T188 PolarHBondContact ND2-O 3.13Å; T35-T188 HydrophobicContact CG2-CG2 4.05Å; T35-T188 PolarHBondContact N-O 3.06Å; T35-T188 WeakPolarHBondContact OG1-CB 3.33Å; T35-T188 PolarHBondContact OG1-O 3.27Å; N148-T188 HydrophobicContact CB-CG2 3.75Å; I149-T188 WeakPolarHBondContact O-CA 3.48Å; N185-T188 WeakPolarHBondContact O-CB 3.07Å; N185-T188 PolarHBondContact O-N 2.8Å; N185-T188 PolarHBondContact O-OG1 3.39Å
189	W	98.9	Very high	96.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	157.7	-179.4	-59.1	81.1	0	0	0	110.4	L32 V33 N34 L41 I149 L160 L162	L32-W189 HydrophobicContact CB-CE3 3.94Å; L32-W189 HydrophobicContact CD2-CB 4.44Å; V33-W189 CarbonylContact O-C 3.55Å; V33-W189 WeakPolarHBondContact O-CA 3.49Å; N34-W189 HydrophobicContact CB-CD2 4.18Å; N34-W189 HydrophobicContact CB-CE3 3.84Å; N34-W189 HydrophobicContact CB-CH2 3.89Å; N34-W189 HydrophobicContact CB-CZ2 4.2Å; N34-W189 HydrophobicContact CB-CZ3 3.7Å; N34-W189 VanDerWaalsContact N-CE3 3.26Å; L41-W189 HydrophobicContact CB-CH2 4.4Å; L41-W189 HydrophobicContact CB-CZ3 3.92Å; L41-W189 HydrophobicContact CD1-CH2 4.28Å; I149-W189 HydrophobicContact CG1-CB 4.17Å; I149-W189 WeakPolarHBondContact CG1-O 3.37Å; I149-W189 PolarHBondContact N-O 2.93Å; I149-W189 PolarHBondContact O-N 3.4Å; L160-W189 HydrophobicContact CD2-CD2 4.2Å; L160-W189 HydrophobicContact CD2-CH2 4.34Å; L160-W189 HydrophobicContact CD2-CZ2 3.78Å; L160-W189 HydrophobicContact CG-CZ2 3.74Å; L160-W189 PolarHBondContact O-NE1 2.75Å; L162-W189 HydrophobicContact CD1-CH2 4.44Å; L162-W189 HydrophobicContact CD2-CH2 3.86Å; L162-W189 HydrophobicContact CD2-CZ2 4.21Å; L162-W189 HydrophobicContact CG-CH2 3.96Å; L162-W189 HydrophobicContact CG-CZ2 4.11Å
190	T	98.5	Very high	95.8	Very high	20 Å²	20	49 Å²	49	12%	0.123	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	155.9	171.8	-172.9	0	0	0	0	109.9	L32 V33 T35 S146 T192	L32-T190 CarbonylContact C-O 3.49Å; L32-T190 WeakPolarHBondContact CA-O 3.4Å; V33-T190 HydrophobicContact CB-CG2 4.05Å; V33-T190 PolarHBondContact N-O 2.83Å; V33-T190 PolarHBondContact O-N 3.23Å; T35-T190 HydrophobicContact CG2-CG2 4.13Å; S146-T190 WeakPolarHBondContact CA-OG1 3.2Å; S146-T190 PolarHBondContact O-OG1 2.83Å; S146-T190 VanDerWaalsContact O-OG1 3.08Å; T190-T192 HydrophobicContact CG2-CG2 4.26Å
191	T	98.5	Very high	94.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	139.8	175.7	69.4	0	0	0	0	110.5	V24 L30 K31 L32 W143 Q145 S146 Y196	V24-T191 HydrophobicContact CG2-CG2 4.34Å; L30-T191 HydrophobicContact CD1-CG2 3.98Å; L30-T191 HydrophobicContact CD2-CG2 3.81Å; L30-T191 HydrophobicContact CG-CG2 4.45Å; K31-T191 WeakPolarHBondContact O-CA 3.36Å; L32-T191 HydrophobicContact CD2-CG2 4Å; W143-T191 HydrophobicContact CH2-CG2 4.31Å; W143-T191 HydrophobicContact CZ2-CG2 3.29Å; Q145-T191 WeakPolarHBondContact CA-OG1 3.43Å; S146-T191 WeakPolarHBondContact CA-O 3.24Å; S146-T191 PolarHBondContact N-O 2.88Å; S146-T191 PolarHBondContact N-OG1 2.84Å; T191-Y196 VanDerWaalsContact CB-OH 3.27Å; T191-Y196 WeakPolarHBondContact CB-OH 3.3Å; T191-Y196 PolarHBondContact OG1-OH 3.41Å
192	T	97	Very high	92.9	Very high	42 Å²	42	52.6 Å²	52.6	26%	0.258	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	-114.3	-175.8	51	0	0	0	0	111.9	K31 V33 T190 Y196	K31-T192 PolarHBondContact O-N 3.23Å; K31-T192 VanDerWaalsContact O-N 3.13Å; V33-T192 HydrophobicContact CB-CG2 4.23Å; V33-T192 HydrophobicContact CG2-CG2 3.67Å; V33-T192 VanDerWaalsContact CG2-OG1 3.24Å; V33-T192 WeakPolarHBondContact CG2-OG1 3.41Å; T190-T192 HydrophobicContact CG2-CG2 4.26Å; T192-Y196 PolarHBondContact N-OH 2.89Å; T192-Y196 VanDerWaalsContact O-CE2 3.27Å; T192-Y196 WeakPolarHBondContact O-CE2 3.36Å; T192-Y196 PolarHBondContact O-OH 3.46Å
193	E	96.5	Very high	91.2	Very high	54 Å²	54	50 Å²	50	25%	0.252	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	138.2	-174.8	-49	83.9	172.2	0	0	110.5	L30 K31 R40	L30-E193 CarbonylContact C-O 3.57Å; L30-E193 WeakPolarHBondContact CA-O 3.33Å; K31-E193 HydrophobicContact CD-CB 4.14Å; K31-E193 WeakPolarHBondContact CD-OE2 3.3Å; K31-E193 HydrophobicContact CG-CB 4.27Å; K31-E193 PolarHBondContact N-O 3.23Å; R40-E193 IonicContact CZ-OE1 3.53Å; R40-E193 IonicContact NE-OE1 2.77Å; R40-E193 IonicContact NH2-OE1 3.87Å; R40-E193 PolarHBondContact NH2-OE1 3.5Å; R40-E193 VanDerWaalsContact NH2-OE1 3.1Å
194	G	96.9	Very high	89.4	Confident	33 Å²	33	48.7 Å²	48.7	34%	0.34	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	163.6	178.7	-176.8	0	0	0	0	0	114.8	V29	V29-G194 CarbonylContact O-C 3.52Å; V29-G194 WeakPolarHBondContact O-CA 3.4Å
195	V	97.2	Very high	87.5	Confident	97 Å²	97	49.7 Å²	49.7	59%	0.588	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	105.9	169.4	-179.5	0	0	0	0	107.8	S28 V29	S28-V195 WeakPolarHBondContact CA-O 3.47Å; V29-V195 PolarHBondContact N-O 2.91Å; V29-V195 PolarHBondContact O-N 2.65Å
196	Y	96.3	Very high	85.4	Confident	48 Å²	48	45.6 Å²	45.6	19%	0.188	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-91.3	136.5	175.3	-61.9	-87.6	0	0	0	109.9	V24 L30 Q145 T191 T192	V24-Y196 HydrophobicContact CG2-CE1 4.26Å; L30-Y196 HydrophobicContact CB-CE1 4.06Å; L30-Y196 HydrophobicContact CD2-CE1 3.89Å; Q145-Y196 VanDerWaalsContact CD-CD1 3.5Å; Q145-Y196 HydrophobicContact CG-CD1 3.65Å; Q145-Y196 HydrophobicContact CG-CE1 3.62Å; Q145-Y196 HydrophobicContact CG-CG 4.24Å; T191-Y196 VanDerWaalsContact CB-OH 3.27Å; T191-Y196 WeakPolarHBondContact CB-OH 3.3Å; T191-Y196 PolarHBondContact OG1-OH 3.41Å; T192-Y196 PolarHBondContact N-OH 2.89Å; T192-Y196 VanDerWaalsContact O-CE2 3.27Å; T192-Y196 WeakPolarHBondContact O-CE2 3.36Å; T192-Y196 PolarHBondContact O-OH 3.46Å
197	I	95.1	Very high	83.2	Confident	23 Å²	23	49.9 Å²	49.9	12%	0.118	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-99.5	127	179.8	-62.6	158.6	0	0	0	107.5	T25 G27 S28 R83	T25-I197 WeakPolarHBondContact CB-O 3.33Å; T25-I197 WeakPolarHBondContact CG2-O 3.21Å; T25-I197 WeakPolarHBondContact OG1-CB 3.29Å; T25-I197 PolarHBondContact OG1-O 2.58Å; G27-I197 WeakPolarHBondContact O-CD1 3.13Å; S28-I197 PolarHBondContact OG-N 2.86Å; S28-I197 VanDerWaalsContact OG-N 3.13Å; R83-I197 HydrophobicContact CG-CB 4.47Å; R83-I197 HydrophobicContact CG-CD1 3.65Å; R83-I197 HydrophobicContact CG-CG1 4.35Å; R83-I197 HydrophobicContact CG-CG2 3.63Å
198	D	90.5	Very high	80.9	Confident	82 Å²	82	59.3 Å²	59.3	44%	0.439	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-62.7	146.4	177.8	-70.1	-35.2	0	0	0	111.9	I200 F202 L203	D198-I200 PolarHBondContact O-N 2.97Å; D198-F202 HydrophobicContact CB-CD1 4.34Å; D198-L203 HydrophobicContact CB-CD1 4.42Å; D198-L203 HydrophobicContact CB-CD2 4.06Å; D198-L203 HydrophobicContact CB-CG 4.11Å
199	P	90	Very high	78.5	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.019	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-56.9	138.2	174.9	-25	34.5	0	0	0	112.4	Q20 T25 G84 V86 D201 F202 L203	Q20-P199 HydrophobicContact CB-CG 4.28Å; T25-P199 HydrophobicContact CG2-CB 4.44Å; T25-P199 HydrophobicContact CG2-CG 3.97Å; G84-P199 WeakPolarHBondContact O-CA 3.25Å; V86-P199 HydrophobicContact CG2-CB 3.68Å; V86-P199 HydrophobicContact CG2-CG 3.88Å; P199-D201 VanDerWaalsContact C-N 3.25Å; P199-D201 PolarHBondContact O-N 2.81Å; P199-F202 HydrophobicContact CB-CB 3.87Å; P199-F202 HydrophobicContact CG-CB 4.22Å; P199-F202 WeakPolarHBondContact O-CA 3.49Å; P199-F202 VanDerWaalsContact O-CB 3.29Å; P199-F202 WeakPolarHBondContact O-CB 3.43Å; P199-F202 PolarHBondContact O-N 3.04Å; P199-L203 PolarHBondContact O-N 2.91Å; P199-L203 VanDerWaalsContact O-N 3.1Å
200	I	82.1	Confident	76	Confident	73 Å²	73	71.4 Å²	71.4	37%	0.374	37%	0.369	S	S	.	.	H	α-helix	trans	-56.3	-43.3	177.1	-62.1	171.1	0	0	0	110.9	R83 G84 D198 F202 L203 N204	R83-I200 WeakPolarHBondContact O-CD1 3.31Å; G84-I200 PolarHBondContact O-N 3.18Å; D198-I200 PolarHBondContact O-N 2.97Å; I200-F202 PolarHBondContact O-N 2.69Å; I200-L203 PolarHBondContact O-N 3.26Å; I200-N204 PolarHBondContact O-N 3.4Å; I200-N204 VanDerWaalsContact O-N 3.11Å
201	D	72.1	Confident	73.6	Confident	97 Å²	97	77 Å²	77	52%	0.519	40%	0.398	S	S	.	.	H	α-helix	trans	-67.4	-21.9	179.6	-63.5	-28.7	0	0	0	112.9	P199 K205	P199-D201 VanDerWaalsContact C-N 3.25Å; P199-D201 PolarHBondContact O-N 2.81Å; D201-K205 WeakPolarHBondContact O-CG 3.47Å
202	F	63.3	Low	70.8	Confident	66 Å²	66	86.2 Å²	86.2	29%	0.289	44%	0.441	S	S	.	.	H	α-helix	trans	-77.1	-44.1	173.9	-177.1	-96.2	0	0	0	110.8	D198 P199 I200 K205 S206	D198-F202 HydrophobicContact CB-CD1 4.34Å; P199-F202 HydrophobicContact CB-CB 3.87Å; P199-F202 HydrophobicContact CG-CB 4.22Å; P199-F202 WeakPolarHBondContact O-CA 3.49Å; P199-F202 VanDerWaalsContact O-CB 3.29Å; P199-F202 WeakPolarHBondContact O-CB 3.43Å; P199-F202 PolarHBondContact O-N 3.04Å; I200-F202 PolarHBondContact O-N 2.69Å; F202-K205 WeakPolarHBondContact O-CB 3.37Å; F202-K205 PolarHBondContact O-N 2.96Å; F202-K205 VanDerWaalsContact O-N 3.16Å; F202-S206 PolarHBondContact O-N 3.27Å
203	L	60.1	Low	68.3	Low	78 Å²	78	97.1 Å²	97.1	41%	0.408	49%	0.486	S	S	.	.	H	α-helix	trans	-65.4	-41.7	179.9	-67.5	172.3	0	0	0	113.1	D198 P199 I200 K205 S206 T207	D198-L203 HydrophobicContact CB-CD1 4.42Å; D198-L203 HydrophobicContact CB-CD2 4.06Å; D198-L203 HydrophobicContact CB-CG 4.11Å; P199-L203 PolarHBondContact O-N 2.91Å; P199-L203 VanDerWaalsContact O-N 3.1Å; I200-L203 PolarHBondContact O-N 3.26Å; L203-K205 PolarHBondContact O-N 3.36Å; L203-S206 PolarHBondContact O-N 3.49Å; L203-S206 PolarHBondContact O-OG 3.39Å; L203-S206 VanDerWaalsContact O-OG 3.06Å; L203-T207 PolarHBondContact O-N 2.84Å; L203-T207 PolarHBondContact O-OG1 3.42Å
204	N	58	Low	66.9	Low	97 Å²	97	99.3 Å²	99.3	52%	0.519	50%	0.497	S	S	.	.	H	α-helix	trans	-61	-17	176.3	-73.7	-19.5	0	0	0	112.7	I200 Y208	I200-N204 PolarHBondContact O-N 3.4Å; I200-N204 VanDerWaalsContact O-N 3.11Å; N204-Y208 WeakPolarHBondContact O-CD2 3.44Å; N204-Y208 WeakPolarHBondContact O-CE2 3.21Å
205	K	53.8	Low	65.3	Low	79 Å²	79	102.7 Å²	102.7	34%	0.343	51%	0.506	S	S	.	.	H	α-helix	trans	-92.2	-39.7	176.5	-68.6	177	178.4	-179.2	0	112.4	F13 S17 D201 F202 L203 T207 Y208	F13-K205 PolarHBondContact O-NZ 2.75Å; S17-K205 VanDerWaalsContact CB-NZ 3.27Å; S17-K205 PolarHBondContact OG-NZ 2.82Å; D201-K205 WeakPolarHBondContact O-CG 3.47Å; F202-K205 WeakPolarHBondContact O-CB 3.37Å; F202-K205 PolarHBondContact O-N 2.96Å; F202-K205 VanDerWaalsContact O-N 3.16Å; L203-K205 PolarHBondContact O-N 3.36Å; K205-T207 PolarHBondContact O-N 2.87Å; K205-Y208 PolarHBondContact O-N 2.92Å; K205-Y208 VanDerWaalsContact O-N 3.09Å
206	S	53.5	Low	63.5	Low	35 Å²	35	103.1 Å²	103.1	25%	0.245	50%	0.501	C	S	.	.	H	α-helix	trans	-65.3	-24.8	178.2	61.8	0	0	0	0	112.3	F202 L203 Y208 L209 H210	F202-S206 PolarHBondContact O-N 3.27Å; L203-S206 PolarHBondContact O-N 3.49Å; L203-S206 PolarHBondContact O-OG 3.39Å; L203-S206 VanDerWaalsContact O-OG 3.06Å; S206-Y208 PolarHBondContact O-N 3.34Å; S206-Y208 VanDerWaalsContact O-N 3.17Å; S206-L209 PolarHBondContact O-N 3.4Å; S206-H210 PolarHBondContact O-CD2 3.42Å; S206-H210 VanDerWaalsContact O-CD2 3.27Å; S206-H210 PolarHBondContact O-N 3.1Å
207	T	51.5	Low	61.6	Low	96 Å²	96	106.3 Å²	106.3	59%	0.589	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.5	173	-17	0	0	0	0	113.3	L203 K205	L203-T207 PolarHBondContact O-N 2.84Å; L203-T207 PolarHBondContact O-OG1 3.42Å; K205-T207 PolarHBondContact O-N 2.87Å
208	Y	50.6	Low	59.5	Low	202 Å²	202	111.5 Å²	111.5	79%	0.792	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-1.5	174.4	-63.7	-79.3	0	0	0	113.9	N204 K205 S206	N204-Y208 WeakPolarHBondContact O-CD2 3.44Å; N204-Y208 WeakPolarHBondContact O-CE2 3.21Å; K205-Y208 PolarHBondContact O-N 2.92Å; K205-Y208 VanDerWaalsContact O-N 3.09Å; S206-Y208 PolarHBondContact O-N 3.34Å; S206-Y208 VanDerWaalsContact O-N 3.17Å
209	L	48.8	Very low	57.4	Low	135 Å²	135	113.5 Å²	113.5	71%	0.707	55%	0.552	S	S	*	*	S	Bend	trans	-119.6	6	-177.2	-71.1	169.6	0	0	0	113.1	S206 D211	S206-L209 PolarHBondContact O-N 3.4Å; L209-D211 PolarHBondContact O-N 3.46Å
210	H	44.8	Very low	55.1	Low	140 Å²	140	121.4 Å²	121.4	65%	0.648	59%	0.59	S	S	*	*			trans	-76.9	84.9	168.3	-69.8	-59.4	0	0	0	108.8	S206 E212	S206-H210 PolarHBondContact O-CD2 3.42Å; S206-H210 VanDerWaalsContact O-CD2 3.27Å; S206-H210 PolarHBondContact O-N 3.1Å; H210-E212 PolarHBondContact O-N 2.99Å
211	D	49.2	Very low	53	Low	136 Å²	136	125.1 Å²	125.1	73%	0.727	61%	0.606	S	S	*	*			trans	-64	119.9	156	-65	-26.9	0	0	0	106.8	L209 F213	L209-D211 PolarHBondContact O-N 3.46Å; D211-F213 PolarHBondContact O-N 3.41Å
212	E	40	Very low	51.4	Low	194 Å²	194	127.4 Å²	127.4	91%	0.907	61%	0.614	S	S	*	*			trans	-56.7	127.9	174.5	-63.3	-172.2	163.4	0	0	109.6	H210	H210-E212 PolarHBondContact O-N 2.99Å
213	F	43.4	Very low	50.3	Low	271 Å²	271	133 Å²	133	100%	1.189	64%	0.643	S	S	*	*			trans	-121	0	157.9	-90.5	-79.7	0	0	0	108.6	D211	D211-F213 PolarHBondContact O-N 3.41Å

Retrieved 213 of 213 residues in 331.1 ms (Link to these results)

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