A0A5K4F389_SCHMA Loading...

Leucine-rich repeat-containing protein 23

AlphaFold DB , UniProt , Accession A0A5K4F389, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 340 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	36.7	Very low	69.3	Low	249 Å²	249	102 Å²	102	100%	1.227	61%	0.613	S	S	*	*				0	104.7	0	-71.1	-175.1	174.7	0	0	107.3	N3	M1-N3 PolarHBondContact O-N 3.15Å
2	G	39.5	Very low	71.2	Confident	80 Å²	80	108.5 Å²	108.5	83%	0.825	63%	0.627	S	S	*	*			trans	-76	109.8	177.6	0	0	0	0	0	108.5	S4	G2-S4 VanDerWaalsContact C-N 3.34Å; G2-S4 PolarHBondContact O-N 3.17Å
3	N	48.1	Very low	72.9	Confident	163 Å²	163	111.5 Å²	111.5	87%	0.872	63%	0.632	S	S	*	*			trans	-64.8	101.4	166.7	-123.6	-4.3	0	0	0	105.9	M1 S5	M1-N3 PolarHBondContact O-N 3.15Å; N3-S5 VanDerWaalsContact C-N 3.27Å; N3-S5 PolarHBondContact O-N 3.27Å
4	S	51.1	Low	74.4	Confident	102 Å²	102	105.7 Å²	105.7	71%	0.713	60%	0.598	S	S	*	*			trans	-58	99.9	162.8	49.4	0	0	0	0	106.1	G2 E6	G2-S4 VanDerWaalsContact C-N 3.34Å; G2-S4 PolarHBondContact O-N 3.17Å; S4-E6 PolarHBondContact O-N 3.2Å
5	S	62.6	Low	75.7	Confident	79 Å²	79	100.1 Å²	100.1	55%	0.552	57%	0.565	S	S	*	*			trans	-58.3	103.3	174.1	54.6	0	0	0	0	107.2	N3 S7	N3-S5 VanDerWaalsContact C-N 3.27Å; N3-S5 PolarHBondContact O-N 3.27Å; S5-S7 PolarHBondContact O-N 3.46Å
6	E	69.7	Low	76.6	Confident	167 Å²	167	98.8 Å²	98.8	78%	0.78	56%	0.564	S	S	*	*			trans	-53.9	128.3	173.1	-76.1	-178	160.4	0	0	107.9	S4 V8	S4-E6 PolarHBondContact O-N 3.2Å; E6-V8 PolarHBondContact O-N 3.19Å; E6-V8 VanDerWaalsContact O-N 3.13Å
7	S	85.6	Confident	77.7	Confident	81 Å²	81	97.7 Å²	97.7	57%	0.566	56%	0.564	S	S	*	*			trans	-68	112.5	177.8	178.3	0	0	0	0	108.4	S5 T44	S5-S7 PolarHBondContact O-N 3.46Å; S7-T44 VanDerWaalsContact CA-OG1 3.23Å; S7-T44 WeakPolarHBondContact CA-OG1 3.29Å; S7-T44 PolarHBondContact OG-OG1 3.29Å
8	V	91.2	Very high	78.6	Confident	52 Å²	52	92.4 Å²	92.4	32%	0.315	53%	0.534	S	S	.	.			trans	-92.7	108.9	174.4	-170.4	0	0	0	0	108.2	E6 S42 L43 T44 N45	E6-V8 PolarHBondContact O-N 3.19Å; E6-V8 VanDerWaalsContact O-N 3.13Å; V8-S42 WeakPolarHBondContact CB-O 3.1Å; V8-L43 HydrophobicContact CG1-CD2 4.08Å; V8-L43 WeakPolarHBondContact O-CA 3.2Å; V8-T44 PolarHBondContact N-OG1 3.09Å; V8-T44 PolarHBondContact O-N 3.43Å; V8-T44 PolarHBondContact O-OG1 3.44Å; V8-N45 PolarHBondContact O-N 3.39Å
9	S	93.2	Very high	79.5	Confident	56 Å²	56	89.5 Å²	89.5	39%	0.392	52%	0.516	S	S	.	.	B	Isolated β-bridge	trans	-103	154.8	-179.2	-57.9	0	0	0	0	111.4	N11 N45	S9-N11 PolarHBondContact O-N 2.72Å; S9-N11 VanDerWaalsContact O-N 3.09Å; S9-N45 WeakPolarHBondContact OG-CB 3.17Å
10	L	93	Very high	80.1	Confident	16 Å²	16	87.5 Å²	87.5	8%	0.084	51%	0.507	C	S	.	.			trans	-65.9	106	171.2	-67.6	176.2	0	0	0	111.1	I14 I15 F36 L43 N45 I46 A48 L49	L10-I14 HydrophobicContact CD2-CG2 3.65Å; L10-I15 HydrophobicContact CB-CD1 4Å; L10-I15 HydrophobicContact CB-CG1 3.87Å; L10-F36 HydrophobicContact CD1-CE1 4.42Å; L10-F36 HydrophobicContact CD1-CZ 3.96Å; L10-F36 HydrophobicContact CD2-CZ 3.81Å; L10-L43 HydrophobicContact CD2-CD1 3.63Å; L10-L43 HydrophobicContact CD2-CD2 3.83Å; L10-L43 HydrophobicContact CD2-CG 4.41Å; L10-L43 HydrophobicContact CG-CD1 4.39Å; L10-L43 HydrophobicContact CG-CD2 4.34Å; L10-N45 PolarHBondContact N-O 2.97Å; L10-I46 HydrophobicContact CD1-CB 4.17Å; L10-I46 HydrophobicContact CD1-CG2 4.19Å; L10-A48 HydrophobicContact CB-CB 4.07Å; L10-A48 HydrophobicContact CD1-CB 4.47Å; L10-L49 HydrophobicContact CD1-CD1 4.02Å; L10-L49 HydrophobicContact CD1-CD2 3.8Å; L10-L49 HydrophobicContact CD1-CG 3.52Å
11	N	92	Very high	80.5	Confident	77 Å²	77	90 Å²	90	41%	0.412	51%	0.509	S	S	.	.			trans	-89.3	172.3	170.1	73.3	25.6	0	0	0	111.1	S9 E13 I14 I15	S9-N11 PolarHBondContact O-N 2.72Å; S9-N11 VanDerWaalsContact O-N 3.09Å; N11-E13 VanDerWaalsContact C-N 3.28Å; N11-E13 PolarHBondContact O-N 3.09Å; N11-E13 PolarHBondContact OD1-N 3.24Å; N11-E13 VanDerWaalsContact OD1-N 3.08Å; N11-I14 PolarHBondContact O-N 2.68Å; N11-I14 WeakPolarHBondContact OD1-CG1 3.34Å; N11-I14 PolarHBondContact OD1-N 3.48Å; N11-I15 WeakPolarHBondContact O-CB 3.33Å; N11-I15 VanDerWaalsContact O-CG1 3.22Å; N11-I15 WeakPolarHBondContact O-CG1 3.49Å; N11-I15 PolarHBondContact O-N 3.39Å
12	K	91.7	Very high	82.9	Confident	180 Å²	180	82.8 Å²	82.8	78%	0.783	48%	0.479	S	S	*	.	H	α-helix	trans	-56.2	-40.8	-177.6	-172.5	178.5	178.4	-177.4	0	112.9	I15 S16	K12-I15 PolarHBondContact O-N 3.28Å; K12-S16 WeakPolarHBondContact O-CB 3.32Å; K12-S16 PolarHBondContact O-N 2.66Å; K12-S16 PolarHBondContact O-OG 3.49Å; K12-S16 VanDerWaalsContact O-OG 3.04Å
13	E	93.4	Very high	85	Confident	148 Å²	148	81.8 Å²	81.8	69%	0.692	45%	0.454	S	S	*	.	H	α-helix	trans	-68.9	-44.9	-177.9	-62.6	175.2	176.7	0	0	112.2	N11 I15 S16 S17	N11-E13 VanDerWaalsContact C-N 3.28Å; N11-E13 PolarHBondContact O-N 3.09Å; N11-E13 PolarHBondContact OD1-N 3.24Å; N11-E13 VanDerWaalsContact OD1-N 3.08Å; E13-I15 VanDerWaalsContact C-N 3.32Å; E13-I15 PolarHBondContact O-N 2.79Å; E13-S16 WeakPolarHBondContact CA-OG 3.47Å; E13-S16 PolarHBondContact O-N 2.94Å; E13-S16 PolarHBondContact O-OG 2.92Å; E13-S17 WeakPolarHBondContact O-CB 3.37Å; E13-S17 PolarHBondContact O-N 3.1Å; E13-S17 PolarHBondContact O-OG 3.47Å
14	I	93.4	Very high	86.8	Confident	30 Å²	30	78.4 Å²	78.4	15%	0.154	43%	0.433	C	S	.	.	H	α-helix	trans	-62.1	-44.8	175.5	-65.6	168.6	0	0	0	109.4	L10 N11 S17 S18 C38	L10-I14 HydrophobicContact CD2-CG2 3.65Å; N11-I14 PolarHBondContact O-N 2.68Å; N11-I14 WeakPolarHBondContact OD1-CG1 3.34Å; N11-I14 PolarHBondContact OD1-N 3.48Å; I14-S17 PolarHBondContact O-N 3.43Å; I14-S17 PolarHBondContact O-OG 3.21Å; I14-S18 WeakPolarHBondContact O-CB 3.37Å; I14-S18 PolarHBondContact O-N 2.93Å; I14-S18 PolarHBondContact O-OG 3.12Å; I14-C38 VanDerWaalsContact CG2-SG 3.56Å
15	I	93.6	Very high	88.4	Confident	22 Å²	22	73.9 Å²	73.9	11%	0.113	40%	0.401	C	S	.	.	H	α-helix	trans	-61.4	-51.8	178.5	-69.4	167.5	0	0	0	110.3	L10 N11 K12 E13 S17 S18 L19 A48 F52	L10-I15 HydrophobicContact CB-CD1 4Å; L10-I15 HydrophobicContact CB-CG1 3.87Å; N11-I15 WeakPolarHBondContact O-CB 3.33Å; N11-I15 VanDerWaalsContact O-CG1 3.22Å; N11-I15 WeakPolarHBondContact O-CG1 3.49Å; N11-I15 PolarHBondContact O-N 3.39Å; K12-I15 PolarHBondContact O-N 3.28Å; E13-I15 VanDerWaalsContact C-N 3.32Å; E13-I15 PolarHBondContact O-N 2.79Å; I15-S17 VanDerWaalsContact C-N 3.28Å; I15-S17 PolarHBondContact O-N 2.92Å; I15-S18 PolarHBondContact O-N 3.43Å; I15-S18 VanDerWaalsContact O-N 3.08Å; I15-L19 HydrophobicContact CG2-CD1 3.54Å; I15-L19 HydrophobicContact CG2-CG 4.16Å; I15-L19 VanDerWaalsContact O-CG 3.31Å; I15-L19 WeakPolarHBondContact O-CG 3.44Å; I15-L19 PolarHBondContact O-N 2.72Å; I15-A48 HydrophobicContact CD1-CB 3.76Å; I15-F52 HydrophobicContact CG2-CE1 4.09Å; I15-F52 HydrophobicContact CG2-CE2 4.31Å; I15-F52 HydrophobicContact CG2-CZ 3.55Å
16	S	91.6	Very high	89.2	Confident	78 Å²	78	74.7 Å²	74.7	55%	0.545	40%	0.399	S	S	.	.	H	α-helix	trans	-62.1	-35.1	-177.5	55.7	0	0	0	0	113.1	K12 E13 S18	K12-S16 WeakPolarHBondContact O-CB 3.32Å; K12-S16 PolarHBondContact O-N 2.66Å; K12-S16 PolarHBondContact O-OG 3.49Å; K12-S16 VanDerWaalsContact O-OG 3.04Å; E13-S16 WeakPolarHBondContact CA-OG 3.47Å; E13-S16 PolarHBondContact O-N 2.94Å; E13-S16 PolarHBondContact O-OG 2.92Å; S16-S18 VanDerWaalsContact C-N 3.35Å
17	S	93.8	Very high	89.9	Confident	81 Å²	81	70.9 Å²	70.9	57%	0.566	38%	0.384	S	S	*	.	H	α-helix	trans	-79.1	-16.8	177.6	57.7	0	0	0	0	113.8	E13 I14 I15	E13-S17 WeakPolarHBondContact O-CB 3.37Å; E13-S17 PolarHBondContact O-N 3.1Å; E13-S17 PolarHBondContact O-OG 3.47Å; I14-S17 PolarHBondContact O-N 3.43Å; I14-S17 PolarHBondContact O-OG 3.21Å; I15-S17 VanDerWaalsContact C-N 3.28Å; I15-S17 PolarHBondContact O-N 2.92Å
18	S	95.4	Very high	89.9	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.021	37%	0.374	C	S	.	.	H	α-helix	trans	-101.7	-20.3	-176.4	-58.5	0	0	0	0	113.6	I14 I15 S16 F36 I37 C38 R41	I14-S18 WeakPolarHBondContact O-CB 3.37Å; I14-S18 PolarHBondContact O-N 2.93Å; I14-S18 PolarHBondContact O-OG 3.12Å; I15-S18 PolarHBondContact O-N 3.43Å; I15-S18 VanDerWaalsContact O-N 3.08Å; S16-S18 VanDerWaalsContact C-N 3.35Å; S18-F36 VanDerWaalsContact CB-CE2 3.42Å; S18-F36 WeakPolarHBondContact O-CA 3.32Å; S18-I37 VanDerWaalsContact CB-O 3.23Å; S18-I37 WeakPolarHBondContact CB-O 3.24Å; S18-I37 PolarHBondContact O-N 2.89Å; S18-I37 PolarHBondContact OG-O 3.4Å; S18-C38 PolarHBondContact OG-SG 3.47Å; S18-R41 PolarHBondContact OG-NH1 3.49Å
19	L	94.3	Very high	89.8	Confident	37 Å²	37	73.2 Å²	73.2	19%	0.194	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	126.9	173.1	-70.7	166.2	0	0	0	109.7	I15 P33 F36 F52 L55	I15-L19 HydrophobicContact CG2-CD1 3.54Å; I15-L19 HydrophobicContact CG2-CG 4.16Å; I15-L19 VanDerWaalsContact O-CG 3.31Å; I15-L19 WeakPolarHBondContact O-CG 3.44Å; I15-L19 PolarHBondContact O-N 2.72Å; L19-P33 HydrophobicContact CB-CB 3.86Å; L19-P33 HydrophobicContact CB-CG 3.99Å; L19-P33 HydrophobicContact CD1-CG 4.31Å; L19-P33 HydrophobicContact CD2-CB 3.84Å; L19-P33 HydrophobicContact CD2-CG 4.24Å; L19-P33 HydrophobicContact CG-CB 4.34Å; L19-P33 HydrophobicContact CG-CG 4.41Å; L19-F36 HydrophobicContact CD2-CB 4.45Å; L19-F36 HydrophobicContact CD2-CD2 3.79Å; L19-F36 HydrophobicContact CG-CD2 4.08Å; L19-F52 HydrophobicContact CD1-CD1 4.18Å; L19-F52 HydrophobicContact CD1-CE1 3.54Å; L19-F52 HydrophobicContact CD1-CZ 4.28Å; L19-F52 HydrophobicContact CD2-CD1 3.91Å; L19-F52 HydrophobicContact CD2-CE1 4.1Å; L19-F52 HydrophobicContact CG-CE1 4.42Å; L19-L55 HydrophobicContact CD2-CD2 4.04Å
20	C	91.9	Very high	89.5	Confident	49 Å²	49	73.7 Å²	73.7	33%	0.331	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	170.3	179.9	65	0	0	0	0	111.6	K35	C20-K35 PolarHBondContact N-O 3.27Å; C20-K35 PolarHBondContact O-N 2.69Å; C20-K35 VanDerWaalsContact O-N 3.14Å
21	Y	88.9	Confident	89.3	Confident	141 Å²	141	80.9 Å²	80.9	55%	0.553	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57.8	71.7	177.3	-162.7	-100.6	0	0	0	112.2	N23 A34 K35	Y21-N23 HydrophobicContact CD1-CB 4.45Å; Y21-N23 HydrophobicContact CE1-CB 4.37Å; Y21-N23 PolarHBondContact O-N 3.44Å; Y21-A34 HydrophobicContact CD1-CB 4.19Å; Y21-A34 PolarHBondContact O-N 3.45Å; Y21-K35 HydrophobicContact CD1-CD 4.47Å; Y21-K35 HydrophobicContact CD1-CG 4.3Å; Y21-K35 HydrophobicContact CG-CD 4.27Å; Y21-K35 HydrophobicContact CG-CG 4.36Å
22	V	86	Confident	89.1	Confident	97 Å²	97	78 Å²	78	59%	0.588	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	126.4	172.7	178.3	0	0	0	0	108.6	Y31 A32	V22-Y31 HydrophobicContact CG1-CD1 4.42Å; V22-A32 WeakPolarHBondContact CA-O 3.39Å
23	N	84.9	Confident	89	Confident	58 Å²	58	71.3 Å²	71.3	31%	0.31	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	163.3	179.8	-157.5	-7.6	0	0	0	109.6	Y21 T25 Y31 A32 A34	Y21-N23 HydrophobicContact CD1-CB 4.45Å; Y21-N23 HydrophobicContact CE1-CB 4.37Å; Y21-N23 PolarHBondContact O-N 3.44Å; N23-T25 PolarHBondContact O-N 2.95Å; N23-Y31 WeakPolarHBondContact O-CA 3.33Å; N23-A32 PolarHBondContact N-O 3.15Å; N23-A32 PolarHBondContact O-N 3.28Å; N23-A32 VanDerWaalsContact O-O 3.14Å; N23-A34 HydrophobicContact CB-CB 4.18Å
24	E	85.7	Confident	88.9	Confident	92 Å²	92	64.6 Å²	64.6	43%	0.43	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	132.3	173.8	-165.1	178.7	178.1	0	0	109.8	G28 S30 Y31 R56	E24-G28 WeakPolarHBondContact OE1-CA 3.17Å; E24-S30 CarbonylContact C-O 3.57Å; E24-S30 VanDerWaalsContact CA-O 3.32Å; E24-S30 WeakPolarHBondContact CA-O 3.36Å; E24-Y31 HydrophobicContact CB-CD1 4.47Å; E24-Y31 HydrophobicContact CB-CE1 4.18Å; E24-R56 PolarHBondContact O-NH2 3.44Å
25	T	85.5	Confident	89.1	Confident	7 Å²	7	66.7 Å²	66.7	4%	0.043	37%	0.366	C	S	.	.			trans	-61.9	158	176.5	48.1	0	0	0	0	110.1	N23 D27 G28 S30 A32 F54	N23-T25 PolarHBondContact O-N 2.95Å; T25-D27 WeakPolarHBondContact CB-OD1 3.38Å; T25-D27 PolarHBondContact O-N 2.86Å; T25-D27 VanDerWaalsContact O-N 3.14Å; T25-D27 PolarHBondContact OG1-OD1 3.08Å; T25-G28 PolarHBondContact O-N 3.23Å; T25-S30 PolarHBondContact N-O 2.81Å; T25-S30 PolarHBondContact OG1-N 3.37Å; T25-S30 PolarHBondContact OG1-O 3.39Å; T25-S30 VanDerWaalsContact OG1-O 3.1Å; T25-A32 HydrophobicContact CG2-CB 3.68Å; T25-F54 HydrophobicContact CG2-CB 4.45Å; T25-F54 HydrophobicContact CG2-CD1 3.68Å; T25-F54 HydrophobicContact CG2-CD2 3.8Å; T25-F54 HydrophobicContact CG2-CE1 3.72Å; T25-F54 HydrophobicContact CG2-CE2 3.84Å; T25-F54 HydrophobicContact CG2-CG 3.71Å; T25-F54 HydrophobicContact CG2-CZ 3.8Å
26	I	79	Confident	89.3	Confident	97 Å²	97	65.6 Å²	65.6	50%	0.497	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-21	-173.1	-162.4	162.4	0	0	0	113.5	N76	I26-N76 WeakPolarHBondContact CD1-OD1 3.45Å
27	D	84.1	Confident	89.6	Confident	87 Å²	87	65 Å²	65	47%	0.465	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-8.3	174.6	57.2	7.3	0	0	0	113.5	T25 L29	T25-D27 WeakPolarHBondContact CB-OD1 3.38Å; T25-D27 PolarHBondContact O-N 2.86Å; T25-D27 VanDerWaalsContact O-N 3.14Å; T25-D27 PolarHBondContact OG1-OD1 3.08Å; D27-L29 VanDerWaalsContact C-N 3.26Å; D27-L29 HydrophobicContact CB-CD1 4.17Å; D27-L29 HydrophobicContact CB-CG 4.09Å; D27-L29 PolarHBondContact O-N 3.2Å; D27-L29 PolarHBondContact OD1-N 3.17Å
28	G	86.1	Confident	89.7	Confident	36 Å²	36	61.1 Å²	61.1	37%	0.371	32%	0.323	S	S	.	.	S	Bend	trans	73.9	11.5	-177.1	0	0	0	0	0	114.9	E24 T25	E24-G28 WeakPolarHBondContact OE1-CA 3.17Å; T25-G28 PolarHBondContact O-N 3.23Å
29	L	88.2	Confident	89.6	Confident	145 Å²	145	64 Å²	64	76%	0.759	34%	0.338	S	S	*	.	S	Bend	trans	-100.6	-12.5	-170.2	-59.9	179.3	0	0	0	114	D27	D27-L29 VanDerWaalsContact C-N 3.26Å; D27-L29 HydrophobicContact CB-CD1 4.17Å; D27-L29 HydrophobicContact CB-CG 4.09Å; D27-L29 PolarHBondContact O-N 3.2Å; D27-L29 PolarHBondContact OD1-N 3.17Å
30	S	87.3	Confident	89.7	Confident	67 Å²	67	68 Å²	68	47%	0.469	36%	0.36	S	S	.	.			trans	-156.6	-178.1	-174	-159.1	0	0	0	0	112.1	E24 T25	E24-S30 CarbonylContact C-O 3.57Å; E24-S30 VanDerWaalsContact CA-O 3.32Å; E24-S30 WeakPolarHBondContact CA-O 3.36Å; T25-S30 PolarHBondContact N-O 2.81Å; T25-S30 PolarHBondContact OG1-N 3.37Å; T25-S30 PolarHBondContact OG1-O 3.39Å; T25-S30 VanDerWaalsContact OG1-O 3.1Å
31	Y	87.9	Confident	89.8	Confident	166 Å²	166	70.2 Å²	70.2	65%	0.651	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.1	170.4	-70.6	-89.3	0	0	0	109.1	V22 N23 E24	V22-Y31 HydrophobicContact CG1-CD1 4.42Å; N23-Y31 WeakPolarHBondContact O-CA 3.33Å; E24-Y31 HydrophobicContact CB-CD1 4.47Å; E24-Y31 HydrophobicContact CB-CE1 4.18Å
32	A	88.4	Confident	90.1	Very high	16 Å²	16	65.7 Å²	65.7	13%	0.132	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	154.6	177.2	0	0	0	0	0	110.6	V22 N23 T25 A34 F54	V22-A32 WeakPolarHBondContact CA-O 3.39Å; N23-A32 PolarHBondContact N-O 3.15Å; N23-A32 PolarHBondContact O-N 3.28Å; N23-A32 VanDerWaalsContact O-O 3.14Å; T25-A32 HydrophobicContact CG2-CB 3.68Å; A32-A34 PolarHBondContact O-N 3.28Å; A32-F54 HydrophobicContact CB-CB 3.8Å; A32-F54 HydrophobicContact CB-CD2 3.65Å; A32-F54 HydrophobicContact CB-CG 3.97Å
33	P	89.1	Confident	90.5	Very high	41 Å²	41	61 Å²	61	27%	0.266	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	124.8	169.6	-20.9	32.1	0	0	0	110.2	L19	L19-P33 HydrophobicContact CB-CB 3.86Å; L19-P33 HydrophobicContact CB-CG 3.99Å; L19-P33 HydrophobicContact CD1-CG 4.31Å; L19-P33 HydrophobicContact CD2-CB 3.84Å; L19-P33 HydrophobicContact CD2-CG 4.24Å; L19-P33 HydrophobicContact CG-CB 4.34Å; L19-P33 HydrophobicContact CG-CG 4.41Å
34	A	92.8	Very high	91.1	Very high	7 Å²	7	60 Å²	60	6%	0.058	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-12.6	179.2	0	0	0	0	0	112.6	Y21 N23 A32 R56 Y57	Y21-A34 HydrophobicContact CD1-CB 4.19Å; Y21-A34 PolarHBondContact O-N 3.45Å; N23-A34 HydrophobicContact CB-CB 4.18Å; A32-A34 PolarHBondContact O-N 3.28Å; A34-R56 PolarHBondContact O-N 2.93Å; A34-Y57 PolarHBondContact O-N 3.35Å; A34-Y57 VanDerWaalsContact O-N 3.08Å
35	K	96.8	Very high	91.6	Very high	73 Å²	73	57.9 Å²	57.9	32%	0.317	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.7	-179.6	-53.5	-168.5	179.4	173.8	0	111.4	C20 Y21 Y57	C20-K35 PolarHBondContact N-O 3.27Å; C20-K35 PolarHBondContact O-N 2.69Å; C20-K35 VanDerWaalsContact O-N 3.14Å; Y21-K35 HydrophobicContact CD1-CD 4.47Å; Y21-K35 HydrophobicContact CD1-CG 4.3Å; Y21-K35 HydrophobicContact CG-CD 4.27Å; Y21-K35 HydrophobicContact CG-CG 4.36Å; K35-Y57 CarbonylContact C-O 3.23Å; K35-Y57 WeakPolarHBondContact CA-O 3.2Å; K35-Y57 HydrophobicContact CB-CD1 4.16Å; K35-Y57 HydrophobicContact CD-CD1 4.37Å; K35-Y57 HydrophobicContact CD-CG 4.33Å; K35-Y57 HydrophobicContact CG-CD1 4.37Å; K35-Y57 HydrophobicContact CG-CG 4.27Å
36	F	97.5	Very high	92.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	119.4	170.6	-177.4	-99.7	0	0	0	109.1	L10 S18 L19 C38 L49 L55 Y57 I58 N59 I60	L10-F36 HydrophobicContact CD1-CE1 4.42Å; L10-F36 HydrophobicContact CD1-CZ 3.96Å; L10-F36 HydrophobicContact CD2-CZ 3.81Å; S18-F36 VanDerWaalsContact CB-CE2 3.42Å; S18-F36 WeakPolarHBondContact O-CA 3.32Å; L19-F36 HydrophobicContact CD2-CB 4.45Å; L19-F36 HydrophobicContact CD2-CD2 3.79Å; L19-F36 HydrophobicContact CG-CD2 4.08Å; F36-C38 HydrophobicContact CD1-CB 4.01Å; F36-C38 HydrophobicContact CE1-CB 3.24Å; F36-C38 HydrophobicContact CE2-CB 4.38Å; F36-C38 HydrophobicContact CZ-CB 3.47Å; F36-C38 VanDerWaalsContact CZ-CB 3.47Å; F36-L49 HydrophobicContact CD1-CD1 3.91Å; F36-L49 HydrophobicContact CD1-CD2 4.06Å; F36-L49 HydrophobicContact CD2-CD2 4.02Å; F36-L49 HydrophobicContact CE1-CD1 3.71Å; F36-L49 HydrophobicContact CE1-CD2 3.87Å; F36-L49 HydrophobicContact CE1-CG 4.35Å; F36-L49 HydrophobicContact CE2-CD2 3.83Å; F36-L49 HydrophobicContact CG-CD2 4.12Å; F36-L49 HydrophobicContact CZ-CD1 4.35Å; F36-L49 HydrophobicContact CZ-CD2 3.76Å; F36-L55 HydrophobicContact CB-CD1 3.82Å; F36-L55 HydrophobicContact CB-CD2 3.83Å; F36-L55 HydrophobicContact CB-CG 4.5Å; F36-L55 HydrophobicContact CG-CD1 4.47Å; F36-Y57 PolarHBondContact N-O 3.2Å; F36-I58 HydrophobicContact CB-CG1 4.38Å; F36-I58 HydrophobicContact CD1-CG2 4.34Å; F36-I58 CarbonylContact O-C 3Å; F36-I58 WeakPolarHBondContact O-CA 3.45Å; F36-N59 PolarHBondContact O-N 3.18Å; F36-I60 HydrophobicContact CD1-CG2 4.13Å; F36-I60 HydrophobicContact CE1-CG2 3.92Å
37	I	97.2	Very high	93	Very high	65 Å²	65	57.5 Å²	57.5	33%	0.333	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	106.4	-178	-55.2	-179.6	0	0	0	108.6	S18 N39 Y57 N59	S18-I37 VanDerWaalsContact CB-O 3.23Å; S18-I37 WeakPolarHBondContact CB-O 3.24Å; S18-I37 PolarHBondContact O-N 2.89Å; S18-I37 PolarHBondContact OG-O 3.4Å; I37-N39 WeakPolarHBondContact CG2-OD1 3.25Å; I37-Y57 HydrophobicContact CD1-CE1 4.32Å; I37-Y57 HydrophobicContact CG1-CD1 4.39Å; I37-Y57 HydrophobicContact CG1-CE1 4Å; I37-N59 HydrophobicContact CG2-CB 4.42Å
38	C	96.5	Very high	93.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.302	C	S	.	.			trans	-145.7	54.7	-173.3	-160.4	0	0	0	0	110.8	I14 S18 F36 R41 L43 N59 N63	I14-C38 VanDerWaalsContact CG2-SG 3.56Å; S18-C38 PolarHBondContact OG-SG 3.47Å; F36-C38 HydrophobicContact CD1-CB 4.01Å; F36-C38 HydrophobicContact CE1-CB 3.24Å; F36-C38 HydrophobicContact CE2-CB 4.38Å; F36-C38 HydrophobicContact CZ-CB 3.47Å; F36-C38 VanDerWaalsContact CZ-CB 3.47Å; C38-R41 PolarHBondContact SG-NH1 3.45Å; C38-L43 HydrophobicContact CB-CD1 4.35Å; C38-L43 VanDerWaalsContact SG-CD1 3.52Å; C38-N59 CarbonylContact C-O 3.59Å; C38-N59 PolarHBondContact N-O 2.91Å; C38-N63 PolarHBondContact O-ND2 2.83Å
39	N	94.4	Very high	94	Very high	62 Å²	62	53.6 Å²	53.6	33%	0.332	29%	0.285	S	S	.	.			trans	-86	158.1	173.4	58.6	-87.4	0	0	0	111.8	I37 N59 G61	I37-N39 WeakPolarHBondContact CG2-OD1 3.25Å; N39-N59 PolarHBondContact OD1-ND2 3.28Å; N39-G61 CarbonylContact C-O 3.57Å; N39-G61 WeakPolarHBondContact CA-O 3.4Å; N39-G61 WeakPolarHBondContact CB-O 3.5Å
40	D	94.7	Very high	94.4	Very high	122 Å²	122	54.2 Å²	54.2	65%	0.652	28%	0.281	S	S	*	.	S	Bend	trans	60.1	50.3	173	-162.1	23.8	0	0	0	114.7	G61 F62	D40-G61 PolarHBondContact N-O 2.95Å; D40-G61 VanDerWaalsContact N-O 3.16Å; D40-F62 WeakPolarHBondContact CA-O 3.24Å; D40-F62 HydrophobicContact CB-CB 4.23Å; D40-F62 PolarHBondContact N-O 3.24Å; D40-F62 VanDerWaalsContact N-O 3.12Å
41	R	94.1	Very high	94.6	Very high	96 Å²	96	53.9 Å²	53.9	36%	0.362	29%	0.288	S	S	.	.	S	Bend	trans	-129.7	11.3	-179.8	-71.3	-159.6	176.8	109.8	-4	114.3	S18 C38 L43 N63	S18-R41 PolarHBondContact OG-NH1 3.49Å; C38-R41 PolarHBondContact SG-NH1 3.45Å; R41-L43 HydrophobicContact CB-CD1 4.49Å; R41-L43 HydrophobicContact CB-CD2 4.41Å; R41-L43 HydrophobicContact CB-CG 3.94Å; R41-L43 PolarHBondContact O-N 3.2Å; R41-L43 VanDerWaalsContact O-N 3.09Å; R41-N63 WeakPolarHBondContact CA-OD1 3.24Å; R41-N63 PolarHBondContact N-OD1 2.98Å
42	S	95	Very high	94.9	Very high	45 Å²	45	48.9 Å²	48.9	32%	0.315	27%	0.27	S	S	.	.			trans	53.3	26.4	-175.1	-60.8	0	0	0	0	113.8	V8 T44 N63	V8-S42 WeakPolarHBondContact CB-O 3.1Å; S42-T44 PolarHBondContact O-N 3.36Å; S42-N63 PolarHBondContact N-OD1 2.9Å; S42-N63 VanDerWaalsContact N-OD1 3.14Å
43	L	96.1	Very high	95.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.285	C	S	.	.			trans	-60.8	134.6	-178.3	-65.9	173.1	0	0	0	110.9	V8 L10 C38 R41 N63 R64 I65	V8-L43 HydrophobicContact CG1-CD2 4.08Å; V8-L43 WeakPolarHBondContact O-CA 3.2Å; L10-L43 HydrophobicContact CD2-CD1 3.63Å; L10-L43 HydrophobicContact CD2-CD2 3.83Å; L10-L43 HydrophobicContact CD2-CG 4.41Å; L10-L43 HydrophobicContact CG-CD1 4.39Å; L10-L43 HydrophobicContact CG-CD2 4.34Å; C38-L43 HydrophobicContact CB-CD1 4.35Å; C38-L43 VanDerWaalsContact SG-CD1 3.52Å; R41-L43 HydrophobicContact CB-CD1 4.49Å; R41-L43 HydrophobicContact CB-CD2 4.41Å; R41-L43 HydrophobicContact CB-CG 3.94Å; R41-L43 PolarHBondContact O-N 3.2Å; R41-L43 VanDerWaalsContact O-N 3.09Å; L43-N63 HydrophobicContact CB-CB 4.06Å; L43-N63 WeakPolarHBondContact CB-OD1 3.41Å; L43-N63 PolarHBondContact N-OD1 2.9Å; L43-R64 CarbonylContact O-C 3.13Å; L43-R64 WeakPolarHBondContact O-CA 3.47Å; L43-R64 PolarHBondContact O-N 2.93Å; L43-I65 HydrophobicContact CB-CG1 4.41Å; L43-I65 WeakPolarHBondContact O-CG1 3.32Å; L43-I65 PolarHBondContact O-N 2.86Å
44	T	96.5	Very high	95.4	Very high	35 Å²	35	53.1 Å²	53.1	22%	0.215	29%	0.285	C	S	.	.			trans	-111.8	-29.4	172.6	55.5	0	0	0	0	111.6	S7 V8 S42 R64	S7-T44 VanDerWaalsContact CA-OG1 3.23Å; S7-T44 WeakPolarHBondContact CA-OG1 3.29Å; S7-T44 PolarHBondContact OG-OG1 3.29Å; V8-T44 PolarHBondContact N-OG1 3.09Å; V8-T44 PolarHBondContact O-N 3.43Å; V8-T44 PolarHBondContact O-OG1 3.44Å; S42-T44 PolarHBondContact O-N 3.36Å; T44-R64 HydrophobicContact CG2-CB 3.92Å
45	N	96.1	Very high	95.5	Very high	49 Å²	49	52.9 Å²	52.9	26%	0.262	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-122.8	127.7	-177.6	-175.8	-51.2	0	0	0	111.4	V8 S9 L10 D47	V8-N45 PolarHBondContact O-N 3.39Å; S9-N45 WeakPolarHBondContact OG-CB 3.17Å; L10-N45 PolarHBondContact N-O 2.97Å; N45-D47 PolarHBondContact ND2-OD2 3.45Å; N45-D47 VanDerWaalsContact OD1-CB 3.29Å; N45-D47 WeakPolarHBondContact OD1-CB 3.31Å; N45-D47 VanDerWaalsContact OD1-CG 3.3Å; N45-D47 PolarHBondContact OD1-N 2.94Å; N45-D47 PolarHBondContact OD1-OD2 2.86Å
46	I	97.2	Very high	95.5	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.015	28%	0.279	C	S	.	.			trans	-122	19	179.1	60.9	168.1	0	0	0	113	L10 A48 L49 I60 I65 L68 P70 L71	L10-I46 HydrophobicContact CD1-CB 4.17Å; L10-I46 HydrophobicContact CD1-CG2 4.19Å; I46-A48 PolarHBondContact O-N 2.95Å; I46-A48 VanDerWaalsContact O-N 3.12Å; I46-L49 HydrophobicContact CB-CD1 4.14Å; I46-L49 HydrophobicContact CB-CG 4.43Å; I46-L49 WeakPolarHBondContact O-CB 3.09Å; I46-L49 PolarHBondContact O-N 3.21Å; I46-I60 HydrophobicContact CD1-CD1 4.04Å; I46-I65 HydrophobicContact CD1-CD1 4.43Å; I46-I65 HydrophobicContact CD1-CG2 4.25Å; I46-I65 HydrophobicContact CG2-CD1 3.58Å; I46-I65 HydrophobicContact CG2-CG1 4.1Å; I46-L68 HydrophobicContact CD1-CD2 4.3Å; I46-P70 HydrophobicContact CG1-CB 4.31Å; I46-P70 HydrophobicContact CG1-CG 4.1Å; I46-L71 HydrophobicContact CD1-CD1 4.08Å; I46-L71 HydrophobicContact CD1-CD2 4.14Å; I46-L71 HydrophobicContact CD1-CG 3.93Å
47	D	96.7	Very high	95.5	Very high	92 Å²	92	54.3 Å²	54.3	49%	0.492	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-56.6	-33.6	-174.6	-70.2	-19.7	0	0	0	112.5	N45 L49 K50 P70	N45-D47 PolarHBondContact ND2-OD2 3.45Å; N45-D47 VanDerWaalsContact OD1-CB 3.29Å; N45-D47 WeakPolarHBondContact OD1-CB 3.31Å; N45-D47 VanDerWaalsContact OD1-CG 3.3Å; N45-D47 PolarHBondContact OD1-N 2.94Å; N45-D47 PolarHBondContact OD1-OD2 2.86Å; D47-L49 PolarHBondContact O-N 2.94Å; D47-L49 VanDerWaalsContact O-N 3.09Å; D47-K50 VanDerWaalsContact O-CB 3.25Å; D47-K50 WeakPolarHBondContact O-CB 3.41Å; D47-K50 PolarHBondContact O-N 3.46Å; D47-P70 WeakPolarHBondContact OD1-CG 3.45Å
48	A	95.6	Very high	95.5	Very high	42 Å²	42	51.2 Å²	51.2	35%	0.347	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-55.4	-27.4	175.9	0	0	0	0	0	112.9	L10 I15 I46 K50 F52	L10-A48 HydrophobicContact CB-CB 4.07Å; L10-A48 HydrophobicContact CD1-CB 4.47Å; I15-A48 HydrophobicContact CD1-CB 3.76Å; I46-A48 PolarHBondContact O-N 2.95Å; I46-A48 VanDerWaalsContact O-N 3.12Å; A48-K50 PolarHBondContact O-N 3.1Å; A48-F52 VanDerWaalsContact O-CD2 3.24Å; A48-F52 WeakPolarHBondContact O-CD2 3.34Å; A48-F52 WeakPolarHBondContact O-CE2 3.41Å
49	L	96.4	Very high	95.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-68.8	-16.3	179.3	-64.9	-175.1	0	0	0	114.1	L10 F36 I46 D47 G51 F52 L55 L71	L10-L49 HydrophobicContact CD1-CD1 4.02Å; L10-L49 HydrophobicContact CD1-CD2 3.8Å; L10-L49 HydrophobicContact CD1-CG 3.52Å; F36-L49 HydrophobicContact CD1-CD1 3.91Å; F36-L49 HydrophobicContact CD1-CD2 4.06Å; F36-L49 HydrophobicContact CD2-CD2 4.02Å; F36-L49 HydrophobicContact CE1-CD1 3.71Å; F36-L49 HydrophobicContact CE1-CD2 3.87Å; F36-L49 HydrophobicContact CE1-CG 4.35Å; F36-L49 HydrophobicContact CE2-CD2 3.83Å; F36-L49 HydrophobicContact CG-CD2 4.12Å; F36-L49 HydrophobicContact CZ-CD1 4.35Å; F36-L49 HydrophobicContact CZ-CD2 3.76Å; I46-L49 HydrophobicContact CB-CD1 4.14Å; I46-L49 HydrophobicContact CB-CG 4.43Å; I46-L49 WeakPolarHBondContact O-CB 3.09Å; I46-L49 PolarHBondContact O-N 3.21Å; D47-L49 PolarHBondContact O-N 2.94Å; D47-L49 VanDerWaalsContact O-N 3.09Å; L49-G51 PolarHBondContact O-N 3.11Å; L49-G51 VanDerWaalsContact O-N 3.12Å; L49-F52 HydrophobicContact CD2-CD2 4.2Å; L49-F52 PolarHBondContact O-N 2.89Å; L49-L55 HydrophobicContact CD2-CD1 4.45Å; L49-L71 HydrophobicContact CB-CD2 3.66Å; L49-L71 HydrophobicContact CD1-CD2 3.84Å; L49-L71 HydrophobicContact CG-CD2 4.41Å
50	K	95.5	Very high	95.8	Very high	158 Å²	158	49.7 Å²	49.7	69%	0.687	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-55.5	-32.6	-179.6	-175.2	178.4	178.1	-178.6	0	113.1	D47 A48 P70	D47-K50 VanDerWaalsContact O-CB 3.25Å; D47-K50 WeakPolarHBondContact O-CB 3.41Å; D47-K50 PolarHBondContact O-N 3.46Å; A48-K50 PolarHBondContact O-N 3.1Å; K50-P70 WeakPolarHBondContact CA-O 3.34Å
51	G	93	Very high	96	Very high	60 Å²	60	43.9 Å²	43.9	62%	0.619	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-83.2	-9.9	-179	0	0	0	0	0	115.3	L49 I53	L49-G51 PolarHBondContact O-N 3.11Å; L49-G51 VanDerWaalsContact O-N 3.12Å; G51-I53 VanDerWaalsContact C-N 3.27Å; G51-I53 PolarHBondContact O-N 3.41Å
52	F	93.9	Very high	96.2	Very high	60 Å²	60	44.4 Å²	44.4	26%	0.263	24%	0.236	S	C	.	.			trans	-90.8	58.7	-173.1	-67.1	-93.7	0	0	0	111.7	I15 L19 A48 L49 F54 L55	I15-F52 HydrophobicContact CG2-CE1 4.09Å; I15-F52 HydrophobicContact CG2-CE2 4.31Å; I15-F52 HydrophobicContact CG2-CZ 3.55Å; L19-F52 HydrophobicContact CD1-CD1 4.18Å; L19-F52 HydrophobicContact CD1-CE1 3.54Å; L19-F52 HydrophobicContact CD1-CZ 4.28Å; L19-F52 HydrophobicContact CD2-CD1 3.91Å; L19-F52 HydrophobicContact CD2-CE1 4.1Å; L19-F52 HydrophobicContact CG-CE1 4.42Å; A48-F52 VanDerWaalsContact O-CD2 3.24Å; A48-F52 WeakPolarHBondContact O-CD2 3.34Å; A48-F52 WeakPolarHBondContact O-CE2 3.41Å; L49-F52 HydrophobicContact CD2-CD2 4.2Å; L49-F52 PolarHBondContact O-N 2.89Å; F52-F54 PolarHBondContact O-N 3.21Å; F52-L55 HydrophobicContact CB-CD1 3.44Å; F52-L55 VanDerWaalsContact CB-CD1 3.44Å; F52-L55 HydrophobicContact CB-CG 3.77Å; F52-L55 HydrophobicContact CG-CD1 4.26Å; F52-L55 WeakPolarHBondContact O-CB 3.33Å; F52-L55 WeakPolarHBondContact O-CG 3.33Å; F52-L55 PolarHBondContact O-N 2.93Å
53	I	93.6	Very high	96.3	Very high	87 Å²	87	42.7 Å²	42.7	45%	0.446	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-17.1	-169.9	64.8	173.1	0	0	0	115.2	G51 N76	G51-I53 VanDerWaalsContact C-N 3.27Å; G51-I53 PolarHBondContact O-N 3.41Å; I53-N76 PolarHBondContact O-ND2 3.34Å
54	F	93.1	Very high	96.4	Very high	60 Å²	60	48.1 Å²	48.1	26%	0.263	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-4.9	179.6	-59	-61.4	0	0	0	113.8	T25 A32 F52 R56	T25-F54 HydrophobicContact CG2-CB 4.45Å; T25-F54 HydrophobicContact CG2-CD1 3.68Å; T25-F54 HydrophobicContact CG2-CD2 3.8Å; T25-F54 HydrophobicContact CG2-CE1 3.72Å; T25-F54 HydrophobicContact CG2-CE2 3.84Å; T25-F54 HydrophobicContact CG2-CG 3.71Å; T25-F54 HydrophobicContact CG2-CZ 3.8Å; A32-F54 HydrophobicContact CB-CB 3.8Å; A32-F54 HydrophobicContact CB-CD2 3.65Å; A32-F54 HydrophobicContact CB-CG 3.97Å; F52-F54 PolarHBondContact O-N 3.21Å; F54-R56 PolarHBondContact O-N 2.93Å
55	L	95.6	Very high	96.5	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.234	C	C	.	.			trans	-62.9	129	177.7	-72.6	175.1	0	0	0	111.2	L19 F36 L49 F52 I58	L19-L55 HydrophobicContact CD2-CD2 4.04Å; F36-L55 HydrophobicContact CB-CD1 3.82Å; F36-L55 HydrophobicContact CB-CD2 3.83Å; F36-L55 HydrophobicContact CB-CG 4.5Å; F36-L55 HydrophobicContact CG-CD1 4.47Å; L49-L55 HydrophobicContact CD2-CD1 4.45Å; F52-L55 HydrophobicContact CB-CD1 3.44Å; F52-L55 VanDerWaalsContact CB-CD1 3.44Å; F52-L55 HydrophobicContact CB-CG 3.77Å; F52-L55 HydrophobicContact CG-CD1 4.26Å; F52-L55 WeakPolarHBondContact O-CB 3.33Å; F52-L55 WeakPolarHBondContact O-CG 3.33Å; F52-L55 PolarHBondContact O-N 2.93Å; L55-I58 HydrophobicContact CB-CD1 4.34Å; L55-I58 HydrophobicContact CB-CG1 4.28Å; L55-I58 HydrophobicContact CD1-CD1 4.04Å; L55-I58 HydrophobicContact CD1-CG1 4.14Å
56	R	96	Very high	96.6	Very high	64 Å²	64	47.2 Å²	47.2	24%	0.242	24%	0.24	C	C	.	.			trans	-109.7	-21.9	177.1	-60.3	-176.6	-175.1	165.9	7.1	112	E24 A34 F54 N76 I78 V79	E24-R56 PolarHBondContact O-NH2 3.44Å; A34-R56 PolarHBondContact O-N 2.93Å; F54-R56 PolarHBondContact O-N 2.93Å; R56-N76 WeakPolarHBondContact CA-O 3.41Å; R56-N76 HydrophobicContact CG-CB 4.43Å; R56-I78 HydrophobicContact CB-CD1 4.04Å; R56-I78 HydrophobicContact CB-CG1 4.12Å; R56-I78 HydrophobicContact CG-CD1 4.35Å; R56-I78 WeakPolarHBondContact O-CA 3.44Å; R56-I78 WeakPolarHBondContact O-CB 3.29Å; R56-I78 PolarHBondContact O-N 2.75Å; R56-V79 PolarHBondContact O-N 3.29Å
57	Y	98	Very high	96.5	Very high	40 Å²	40	49.4 Å²	49.4	16%	0.157	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	126.1	179.9	179.3	-78.1	0	0	0	109.4	A34 K35 F36 I37 N59 V79 R81	A34-Y57 PolarHBondContact O-N 3.35Å; A34-Y57 VanDerWaalsContact O-N 3.08Å; K35-Y57 CarbonylContact C-O 3.23Å; K35-Y57 WeakPolarHBondContact CA-O 3.2Å; K35-Y57 HydrophobicContact CB-CD1 4.16Å; K35-Y57 HydrophobicContact CD-CD1 4.37Å; K35-Y57 HydrophobicContact CD-CG 4.33Å; K35-Y57 HydrophobicContact CG-CD1 4.37Å; K35-Y57 HydrophobicContact CG-CG 4.27Å; F36-Y57 PolarHBondContact N-O 3.2Å; I37-Y57 HydrophobicContact CD1-CE1 4.32Å; I37-Y57 HydrophobicContact CG1-CD1 4.39Å; I37-Y57 HydrophobicContact CG1-CE1 4Å; Y57-N59 HydrophobicContact CE1-CB 3.74Å; Y57-V79 WeakPolarHBondContact CA-O 3.28Å; Y57-V79 HydrophobicContact CD2-CB 3.62Å; Y57-V79 HydrophobicContact CD2-CG1 3.79Å; Y57-V79 HydrophobicContact CD2-CG2 4.13Å; Y57-V79 HydrophobicContact CE2-CB 4.09Å; Y57-V79 HydrophobicContact CE2-CG1 3.7Å; Y57-V79 HydrophobicContact CG-CB 4.41Å; Y57-R81 VanDerWaalsContact CE2-NH1 3.3Å; Y57-R81 PolarHBondContact OH-NH1 2.7Å
58	I	98.5	Very high	96.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.1	174.7	-64.7	179.2	0	0	0	108.5	F36 L55 I60 L71 L74 L77 V79 L80 R81	F36-I58 HydrophobicContact CB-CG1 4.38Å; F36-I58 HydrophobicContact CD1-CG2 4.34Å; F36-I58 CarbonylContact O-C 3Å; F36-I58 WeakPolarHBondContact O-CA 3.45Å; L55-I58 HydrophobicContact CB-CD1 4.34Å; L55-I58 HydrophobicContact CB-CG1 4.28Å; L55-I58 HydrophobicContact CD1-CD1 4.04Å; L55-I58 HydrophobicContact CD1-CG1 4.14Å; I58-I60 HydrophobicContact CG2-CB 4.48Å; I58-I60 HydrophobicContact CG2-CD1 4.37Å; I58-I60 HydrophobicContact CG2-CG1 4.07Å; I58-I60 HydrophobicContact CG2-CG2 3.78Å; I58-L71 HydrophobicContact CD1-CD1 4.27Å; I58-L71 HydrophobicContact CD1-CD2 3.96Å; I58-L71 HydrophobicContact CG2-CD1 4.49Å; I58-L74 HydrophobicContact CD1-CD1 3.52Å; I58-L77 HydrophobicContact CB-CD1 4.12Å; I58-L77 HydrophobicContact CD1-CD1 3.74Å; I58-L77 HydrophobicContact CG1-CD1 3.67Å; I58-V79 PolarHBondContact N-O 3.07Å; I58-L80 HydrophobicContact CB-CD1 3.83Å; I58-L80 HydrophobicContact CG2-CD1 3.75Å; I58-R81 PolarHBondContact O-N 3.44Å
59	N	98.4	Very high	96.7	Very high	29 Å²	29	50.2 Å²	50.2	16%	0.155	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	112.3	165.6	-177	12.4	0	0	0	109.8	F36 I37 C38 N39 Y57 G61 R81	F36-N59 PolarHBondContact O-N 3.18Å; I37-N59 HydrophobicContact CG2-CB 4.42Å; C38-N59 CarbonylContact C-O 3.59Å; C38-N59 PolarHBondContact N-O 2.91Å; N39-N59 PolarHBondContact OD1-ND2 3.28Å; Y57-N59 HydrophobicContact CE1-CB 3.74Å; N59-G61 PolarHBondContact OD1-N 3.46Å; N59-R81 WeakPolarHBondContact CA-O 3.45Å; N59-R81 HydrophobicContact CB-CB 4.22Å
60	I	98.3	Very high	96.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.243	C	C	.	.			trans	-128.8	24.8	179.5	51.7	169.2	0	0	0	110.5	F36 I46 I58 N63 I65 L68 L71 L80 R81 A82 N85	F36-I60 HydrophobicContact CD1-CG2 4.13Å; F36-I60 HydrophobicContact CE1-CG2 3.92Å; I46-I60 HydrophobicContact CD1-CD1 4.04Å; I58-I60 HydrophobicContact CG2-CB 4.48Å; I58-I60 HydrophobicContact CG2-CD1 4.37Å; I58-I60 HydrophobicContact CG2-CG1 4.07Å; I58-I60 HydrophobicContact CG2-CG2 3.78Å; I60-N63 PolarHBondContact O-ND2 3.27Å; I60-I65 HydrophobicContact CB-CD1 3.91Å; I60-I65 HydrophobicContact CD1-CD1 3.69Å; I60-I65 HydrophobicContact CG1-CD1 4.19Å; I60-L68 HydrophobicContact CD1-CD2 3.71Å; I60-L71 HydrophobicContact CD1-CD1 4.11Å; I60-L80 HydrophobicContact CD1-CD1 4.39Å; I60-L80 HydrophobicContact CG1-CD1 4.46Å; I60-R81 WeakPolarHBondContact CG1-O 3.44Å; I60-R81 PolarHBondContact N-O 3.37Å; I60-A82 HydrophobicContact CD1-CB 4.03Å; I60-A82 HydrophobicContact CG1-CB 3.9Å; I60-N85 PolarHBondContact O-ND2 2.99Å
61	G	98.3	Very high	96.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.			trans	-65.1	164.9	178.4	0	0	0	0	0	113.3	N39 D40 N59 N63 R81 S83	N39-G61 CarbonylContact C-O 3.57Å; N39-G61 WeakPolarHBondContact CA-O 3.4Å; N39-G61 WeakPolarHBondContact CB-O 3.5Å; D40-G61 PolarHBondContact N-O 2.95Å; D40-G61 VanDerWaalsContact N-O 3.16Å; N59-G61 PolarHBondContact OD1-N 3.46Å; G61-N63 PolarHBondContact O-N 2.94Å; G61-N63 PolarHBondContact O-ND2 2.75Å; G61-R81 PolarHBondContact N-O 2.95Å; G61-S83 CarbonylContact C-O 3.18Å; G61-S83 WeakPolarHBondContact CA-O 3.45Å
62	F	98.2	Very high	97.1	Very high	107 Å²	107	42.6 Å²	42.6	47%	0.469	19%	0.189	S	C	.	.	S	Bend	trans	54.6	50.7	-179.3	-59.1	-89.9	0	0	0	112.3	D40 S83 Y84	D40-F62 WeakPolarHBondContact CA-O 3.24Å; D40-F62 HydrophobicContact CB-CB 4.23Å; D40-F62 PolarHBondContact N-O 3.24Å; D40-F62 VanDerWaalsContact N-O 3.12Å; F62-S83 PolarHBondContact N-O 2.81Å; F62-Y84 CarbonylContact C-O 3.54Å; F62-Y84 WeakPolarHBondContact CA-O 3.39Å; F62-Y84 HydrophobicContact CD1-CD1 4.29Å; F62-Y84 HydrophobicContact CD1-CD2 4.04Å; F62-Y84 AromaticContact CD1-CG 3.76Å; F62-Y84 HydrophobicContact CD1-CG 3.76Å; F62-Y84 HydrophobicContact CD2-CD2 4.33Å; F62-Y84 AromaticContact CE1-CD1 3.88Å; F62-Y84 HydrophobicContact CE1-CD1 3.88Å; F62-Y84 AromaticContact CE1-CD2 3.45Å; F62-Y84 HydrophobicContact CE1-CD2 3.45Å; F62-Y84 VanDerWaalsContact CE1-CD2 3.45Å; F62-Y84 HydrophobicContact CE1-CE1 4.19Å; F62-Y84 AromaticContact CE1-CE2 3.79Å; F62-Y84 HydrophobicContact CE1-CE2 3.79Å; F62-Y84 AromaticContact CE1-CG 3.49Å; F62-Y84 HydrophobicContact CE1-CG 3.49Å; F62-Y84 VanDerWaalsContact CE1-CG 3.49Å; F62-Y84 AromaticContact CE2-CD2 3.79Å; F62-Y84 HydrophobicContact CE2-CD2 3.79Å; F62-Y84 HydrophobicContact CE2-CE2 4.24Å; F62-Y84 HydrophobicContact CE2-CG 4.45Å; F62-Y84 HydrophobicContact CG-CD2 4.45Å; F62-Y84 HydrophobicContact CG-CG 4.36Å; F62-Y84 AromaticContact CZ-CD2 3.31Å; F62-Y84 HydrophobicContact CZ-CD2 3.31Å; F62-Y84 AromaticContact CZ-CE2 3.47Å; F62-Y84 HydrophobicContact CZ-CE2 3.47Å; F62-Y84 VanDerWaalsContact CZ-CE2 3.47Å; F62-Y84 AromaticContact CZ-CG 3.88Å; F62-Y84 HydrophobicContact CZ-CG 3.88Å; F62-Y84 PolarHBondContact N-O 2.71Å; F62-Y84 VanDerWaalsContact N-O 3.14Å
63	N	98.1	Very high	97.1	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.053	21%	0.208	C	C	.	.	S	Bend	trans	-129.3	-165.8	174.8	-77.8	-62.1	0	0	0	109.2	C38 R41 S42 L43 I60 G61 I65 Y84 N85	C38-N63 PolarHBondContact O-ND2 2.83Å; R41-N63 WeakPolarHBondContact CA-OD1 3.24Å; R41-N63 PolarHBondContact N-OD1 2.98Å; S42-N63 PolarHBondContact N-OD1 2.9Å; S42-N63 VanDerWaalsContact N-OD1 3.14Å; L43-N63 HydrophobicContact CB-CB 4.06Å; L43-N63 WeakPolarHBondContact CB-OD1 3.41Å; L43-N63 PolarHBondContact N-OD1 2.9Å; I60-N63 PolarHBondContact O-ND2 3.27Å; G61-N63 PolarHBondContact O-N 2.94Å; G61-N63 PolarHBondContact O-ND2 2.75Å; N63-I65 HydrophobicContact CB-CD1 4.06Å; N63-I65 HydrophobicContact CB-CG1 4.05Å; N63-Y84 PolarHBondContact N-O 3.22Å; N63-N85 WeakPolarHBondContact CA-OD1 3.16Å; N63-N85 WeakPolarHBondContact CB-OD1 3.17Å; N63-N85 PolarHBondContact O-OD1 2.91Å
64	R	97.7	Very high	97.3	Very high	114 Å²	114	38.7 Å²	38.7	43%	0.43	19%	0.187	S	C	.	.			trans	-121.5	34.1	179.4	-59.9	-177.6	-171.1	177.4	2.8	111	L43 T44 N85	L43-R64 CarbonylContact O-C 3.13Å; L43-R64 WeakPolarHBondContact O-CA 3.47Å; L43-R64 PolarHBondContact O-N 2.93Å; T44-R64 HydrophobicContact CG2-CB 3.92Å; R64-N85 PolarHBondContact N-OD1 2.73Å
65	I	98	Very high	97.4	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.19	C	C	.	.			trans	-75.1	131.4	-176.9	-60.3	166.6	0	0	0	108.7	L43 I46 I60 N63 N67 L68 N85 E86 I87	L43-I65 HydrophobicContact CB-CG1 4.41Å; L43-I65 WeakPolarHBondContact O-CG1 3.32Å; L43-I65 PolarHBondContact O-N 2.86Å; I46-I65 HydrophobicContact CD1-CD1 4.43Å; I46-I65 HydrophobicContact CD1-CG2 4.25Å; I46-I65 HydrophobicContact CG2-CD1 3.58Å; I46-I65 HydrophobicContact CG2-CG1 4.1Å; I60-I65 HydrophobicContact CB-CD1 3.91Å; I60-I65 HydrophobicContact CD1-CD1 3.69Å; I60-I65 HydrophobicContact CG1-CD1 4.19Å; N63-I65 HydrophobicContact CB-CD1 4.06Å; N63-I65 HydrophobicContact CB-CG1 4.05Å; I65-N67 WeakPolarHBondContact CG2-O 3.16Å; I65-L68 HydrophobicContact CG2-CD2 4.44Å; I65-N85 HydrophobicContact CB-CB 4.45Å; I65-N85 VanDerWaalsContact CB-OD1 3.26Å; I65-N85 WeakPolarHBondContact CB-OD1 3.35Å; I65-N85 WeakPolarHBondContact CG1-OD1 3.04Å; I65-N85 PolarHBondContact N-OD1 2.89Å; I65-E86 CarbonylContact O-C 3.43Å; I65-E86 VanDerWaalsContact O-C 3.23Å; I65-E86 WeakPolarHBondContact O-CA 3.49Å; I65-E86 PolarHBondContact O-N 2.98Å; I65-I87 WeakPolarHBondContact O-CG1 3.5Å; I65-I87 PolarHBondContact O-N 2.71Å
66	T	97.5	Very high	97.4	Very high	63 Å²	63	39 Å²	39	39%	0.387	20%	0.196	S	C	.	.			trans	-100.1	-17.5	-177.2	57.3	0	0	0	0	113.8	E86 I87 E88	T66-E86 HydrophobicContact CG2-CB 4.14Å; T66-I87 WeakPolarHBondContact O-CA 3.43Å; T66-E88 PolarHBondContact O-N 3.42Å
67	N	97.1	Very high	97.4	Very high	50 Å²	50	35.9 Å²	35.9	27%	0.267	19%	0.185	S	C	.	.			trans	-156.1	158.3	178.9	71.4	92.1	0	0	0	111.7	I65 R69	I65-N67 WeakPolarHBondContact CG2-O 3.16Å; N67-R69 HydrophobicContact CB-CG 4.42Å; N67-R69 WeakPolarHBondContact OD1-CB 3.22Å; N67-R69 WeakPolarHBondContact OD1-CG 3.33Å; N67-R69 PolarHBondContact OD1-N 2.98Å
68	L	98.2	Very high	97.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.194	C	C	.	.			trans	-110.1	12.9	-177	-64.6	174.2	0	0	0	113.2	I46 I60 I65 P70 L71 Y72 L80 A82 I87 P91 L103	I46-L68 HydrophobicContact CD1-CD2 4.3Å; I60-L68 HydrophobicContact CD1-CD2 3.71Å; I65-L68 HydrophobicContact CG2-CD2 4.44Å; L68-P70 VanDerWaalsContact C-N 3.3Å; L68-L71 HydrophobicContact CD2-CD1 3.99Å; L68-L71 WeakPolarHBondContact O-CB 3.37Å; L68-L71 PolarHBondContact O-N 2.84Å; L68-Y72 HydrophobicContact CB-CE1 4.2Å; L68-Y72 VanDerWaalsContact O-CD1 3.3Å; L68-Y72 WeakPolarHBondContact O-CD1 3.12Å; L68-Y72 WeakPolarHBondContact O-CE1 3.2Å; L68-L80 HydrophobicContact CD1-CD2 4Å; L68-A82 HydrophobicContact CD1-CB 4.42Å; L68-A82 HydrophobicContact CD2-CB 4.18Å; L68-I87 HydrophobicContact CD1-CD1 3.82Å; L68-I87 HydrophobicContact CD2-CD1 3.88Å; L68-I87 HydrophobicContact CG-CD1 3.74Å; L68-I87 HydrophobicContact CG-CG1 4.4Å; L68-P91 HydrophobicContact CB-CB 4.36Å; L68-P91 HydrophobicContact CD1-CB 4.02Å; L68-P91 HydrophobicContact CD1-CG 4Å; L68-L103 HydrophobicContact CD1-CD2 3.77Å
69	R	97.4	Very high	97.4	Very high	150 Å²	150	38.2 Å²	38.2	57%	0.566	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-52.8	-38.8	-175.1	-62.2	178.4	-178.3	179.2	-0.1	114	N67 L71 Y72 E89	N67-R69 HydrophobicContact CB-CG 4.42Å; N67-R69 WeakPolarHBondContact OD1-CB 3.22Å; N67-R69 WeakPolarHBondContact OD1-CG 3.33Å; N67-R69 PolarHBondContact OD1-N 2.98Å; R69-L71 PolarHBondContact O-N 2.78Å; R69-L71 VanDerWaalsContact O-N 3.08Å; R69-Y72 HydrophobicContact CB-CE2 4.46Å; R69-Y72 HydrophobicContact CG-CE2 4.02Å; R69-Y72 WeakPolarHBondContact O-CB 3.5Å; R69-Y72 PolarHBondContact O-N 3.19Å; R69-Y72 VanDerWaalsContact O-N 3.07Å; R69-E89 VanDerWaalsContact CG-OE1 3.27Å; R69-E89 WeakPolarHBondContact CG-OE1 3.31Å; R69-E89 IonicContact CZ-OE1 3.71Å; R69-E89 IonicContact CZ-OE2 3.57Å; R69-E89 IonicContact NE-OE1 2.86Å; R69-E89 PolarHBondContact NE-OE1 3.15Å; R69-E89 IonicContact NE-OE2 3.48Å; R69-E89 PolarHBondContact NE-OE2 2.97Å; R69-E89 IonicContact NH2-OE1 3.69Å; R69-E89 IonicContact NH2-OE2 2.79Å; R69-E89 PolarHBondContact NH2-OE2 2.98Å
70	P	97.1	Very high	97.5	Very high	13 Å²	13	36.8 Å²	36.8	8%	0.084	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-59	-23.2	177.1	-29.4	40.3	0	0	0	114.3	I46 D47 K50 L68	I46-P70 HydrophobicContact CG1-CB 4.31Å; I46-P70 HydrophobicContact CG1-CG 4.1Å; D47-P70 WeakPolarHBondContact OD1-CG 3.45Å; K50-P70 WeakPolarHBondContact CA-O 3.34Å; L68-P70 VanDerWaalsContact C-N 3.3Å
71	L	98.1	Very high	97.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-89.2	-8.1	-178.7	-51.2	-174	0	0	0	113.3	I46 L49 I58 I60 L68 R69 G73 L74 L80 W95	I46-L71 HydrophobicContact CD1-CD1 4.08Å; I46-L71 HydrophobicContact CD1-CD2 4.14Å; I46-L71 HydrophobicContact CD1-CG 3.93Å; L49-L71 HydrophobicContact CB-CD2 3.66Å; L49-L71 HydrophobicContact CD1-CD2 3.84Å; L49-L71 HydrophobicContact CG-CD2 4.41Å; I58-L71 HydrophobicContact CD1-CD1 4.27Å; I58-L71 HydrophobicContact CD1-CD2 3.96Å; I58-L71 HydrophobicContact CG2-CD1 4.49Å; I60-L71 HydrophobicContact CD1-CD1 4.11Å; L68-L71 HydrophobicContact CD2-CD1 3.99Å; L68-L71 WeakPolarHBondContact O-CB 3.37Å; L68-L71 PolarHBondContact O-N 2.84Å; R69-L71 PolarHBondContact O-N 2.78Å; R69-L71 VanDerWaalsContact O-N 3.08Å; L71-G73 PolarHBondContact O-N 3.41Å; L71-G73 VanDerWaalsContact O-N 3.13Å; L71-L74 HydrophobicContact CB-CD1 4.22Å; L71-L74 HydrophobicContact CD2-CD1 3.79Å; L71-L74 WeakPolarHBondContact O-CB 3.37Å; L71-L74 WeakPolarHBondContact O-CG 3.24Å; L71-L74 PolarHBondContact O-N 3.32Å; L71-L80 HydrophobicContact CD1-CD1 3.87Å; L71-L80 HydrophobicContact CD1-CD2 4.24Å; L71-W95 HydrophobicContact CB-CZ2 4.11Å; L71-W95 PolarHBondContact O-NE1 3.26Å
72	Y	97.3	Very high	97.5	Very high	45 Å²	45	41.5 Å²	41.5	18%	0.176	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.5	-170.4	-75.8	7	0	0	0	114.2	L68 R69 E89 P91 C92 G93 N94 W95	L68-Y72 HydrophobicContact CB-CE1 4.2Å; L68-Y72 VanDerWaalsContact O-CD1 3.3Å; L68-Y72 WeakPolarHBondContact O-CD1 3.12Å; L68-Y72 WeakPolarHBondContact O-CE1 3.2Å; R69-Y72 HydrophobicContact CB-CE2 4.46Å; R69-Y72 HydrophobicContact CG-CE2 4.02Å; R69-Y72 WeakPolarHBondContact O-CB 3.5Å; R69-Y72 PolarHBondContact O-N 3.19Å; R69-Y72 VanDerWaalsContact O-N 3.07Å; Y72-E89 PolarHBondContact OH-OE1 2.92Å; Y72-P91 HydrophobicContact CE1-CB 3.85Å; Y72-P91 WeakPolarHBondContact OH-CA 3.26Å; Y72-C92 VanDerWaalsContact CE2-SG 3.52Å; Y72-C92 PolarHBondContact OH-N 3.09Å; Y72-G93 VanDerWaalsContact CD1-CA 3.44Å; Y72-G93 VanDerWaalsContact CG-CA 3.44Å; Y72-N94 PolarHBondContact O-N 3.07Å; Y72-W95 HydrophobicContact CD1-CZ2 4.03Å; Y72-W95 HydrophobicContact CE1-CZ2 4.45Å
73	G	95.6	Very high	97.5	Very high	63 Å²	63	37 Å²	37	65%	0.649	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-3.1	177	0	0	0	0	0	115.1	L71 A75	L71-G73 PolarHBondContact O-N 3.41Å; L71-G73 VanDerWaalsContact O-N 3.13Å; G73-A75 VanDerWaalsContact C-N 3.29Å; G73-A75 PolarHBondContact O-N 3.01Å
74	L	96.5	Very high	97.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.21	C	C	.	.			trans	-80	74.5	-176.1	-56.3	-174.3	0	0	0	111.2	I58 L71 N76 L77	I58-L74 HydrophobicContact CD1-CD1 3.52Å; L71-L74 HydrophobicContact CB-CD1 4.22Å; L71-L74 HydrophobicContact CD2-CD1 3.79Å; L71-L74 WeakPolarHBondContact O-CB 3.37Å; L71-L74 WeakPolarHBondContact O-CG 3.24Å; L71-L74 PolarHBondContact O-N 3.32Å; L74-N76 PolarHBondContact O-N 2.97Å; L74-L77 HydrophobicContact CB-CB 4.34Å; L74-L77 VanDerWaalsContact O-CB 3.24Å; L74-L77 WeakPolarHBondContact O-CB 3.44Å; L74-L77 PolarHBondContact O-N 3.23Å
75	A	95.7	Very high	97.6	Very high	39 Å²	39	36.8 Å²	36.8	32%	0.322	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.6	-173.8	0	0	0	0	0	114.4	G73 M97	G73-A75 VanDerWaalsContact C-N 3.29Å; G73-A75 PolarHBondContact O-N 3.01Å; A75-M97 WeakPolarHBondContact O-CG 3.25Å
76	N	94.8	Very high	97.6	Very high	28 Å²	28	39.3 Å²	39.3	15%	0.15	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	0.8	-179.5	-63.4	-51.4	0	0	0	113.9	I26 I53 R56 L74 I78	I26-N76 WeakPolarHBondContact CD1-OD1 3.45Å; I53-N76 PolarHBondContact O-ND2 3.34Å; R56-N76 WeakPolarHBondContact CA-O 3.41Å; R56-N76 HydrophobicContact CG-CB 4.43Å; L74-N76 PolarHBondContact O-N 2.97Å; N76-I78 PolarHBondContact O-N 2.95Å
77	L	97.6	Very high	97.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.			trans	-66.2	121.8	-176.2	-166.6	63.3	0	0	0	111.2	I58 L74 L80 W95 M97 L98	I58-L77 HydrophobicContact CB-CD1 4.12Å; I58-L77 HydrophobicContact CD1-CD1 3.74Å; I58-L77 HydrophobicContact CG1-CD1 3.67Å; L74-L77 HydrophobicContact CB-CB 4.34Å; L74-L77 VanDerWaalsContact O-CB 3.24Å; L74-L77 WeakPolarHBondContact O-CB 3.44Å; L74-L77 PolarHBondContact O-N 3.23Å; L77-L80 HydrophobicContact CD2-CB 4Å; L77-L80 HydrophobicContact CD2-CD2 4.15Å; L77-L80 HydrophobicContact CD2-CG 4.46Å; L77-W95 HydrophobicContact CD2-CD2 4.34Å; L77-W95 HydrophobicContact CD2-CG 4.45Å; L77-W95 HydrophobicContact CD2-CZ2 4.36Å; L77-M97 CarbonylContact O-C 3.29Å; L77-M97 VanDerWaalsContact O-C 3.27Å; L77-L98 HydrophobicContact CD2-CD1 4.33Å; L77-L98 HydrophobicContact CG-CD1 4.05Å; L77-L98 VanDerWaalsContact O-CA 3.25Å; L77-L98 WeakPolarHBondContact O-CA 3.29Å; L77-L98 PolarHBondContact O-N 3.22Å; L77-L98 VanDerWaalsContact O-N 3.1Å
78	I	97.9	Very high	97.7	Very high	66 Å²	66	38.8 Å²	38.8	34%	0.338	20%	0.195	S	C	.	.			trans	-103.1	-38.8	-179.6	-58.8	179	0	0	0	110.9	R56 N76 M97 T99 H100	R56-I78 HydrophobicContact CB-CD1 4.04Å; R56-I78 HydrophobicContact CB-CG1 4.12Å; R56-I78 HydrophobicContact CG-CD1 4.35Å; R56-I78 WeakPolarHBondContact O-CA 3.44Å; R56-I78 WeakPolarHBondContact O-CB 3.29Å; R56-I78 PolarHBondContact O-N 2.75Å; N76-I78 PolarHBondContact O-N 2.95Å; I78-M97 HydrophobicContact CG1-CB 4.34Å; I78-T99 HydrophobicContact CG2-CG2 4.04Å; I78-T99 WeakPolarHBondContact CG2-OG1 3.41Å; I78-T99 PolarHBondContact O-N 2.96Å; I78-T99 PolarHBondContact O-OG1 3.11Å; I78-H100 PolarHBondContact O-N 2.95Å
79	V	98.6	Very high	97.6	Very high	22 Å²	22	41.5 Å²	41.5	13%	0.133	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	127.5	-179.6	179.4	0	0	0	0	109.9	R56 Y57 I58 R81 H100	R56-V79 PolarHBondContact O-N 3.29Å; Y57-V79 WeakPolarHBondContact CA-O 3.28Å; Y57-V79 HydrophobicContact CD2-CB 3.62Å; Y57-V79 HydrophobicContact CD2-CG1 3.79Å; Y57-V79 HydrophobicContact CD2-CG2 4.13Å; Y57-V79 HydrophobicContact CE2-CB 4.09Å; Y57-V79 HydrophobicContact CE2-CG1 3.7Å; Y57-V79 HydrophobicContact CG-CB 4.41Å; I58-V79 PolarHBondContact N-O 3.07Å; V79-R81 HydrophobicContact CG1-CG 4.21Å; V79-H100 WeakPolarHBondContact CA-O 3.4Å; V79-H100 HydrophobicContact CG1-CB 4.12Å; V79-H100 HydrophobicContact CG2-CB 4.21Å
80	L	98.7	Very high	97.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.6	171.2	-179.7	55	0	0	0	110.4	I58 I60 L68 L71 L77 W95 L98 H100 L101 D102	I58-L80 HydrophobicContact CB-CD1 3.83Å; I58-L80 HydrophobicContact CG2-CD1 3.75Å; I60-L80 HydrophobicContact CD1-CD1 4.39Å; I60-L80 HydrophobicContact CG1-CD1 4.46Å; L68-L80 HydrophobicContact CD1-CD2 4Å; L71-L80 HydrophobicContact CD1-CD1 3.87Å; L71-L80 HydrophobicContact CD1-CD2 4.24Å; L77-L80 HydrophobicContact CD2-CB 4Å; L77-L80 HydrophobicContact CD2-CD2 4.15Å; L77-L80 HydrophobicContact CD2-CG 4.46Å; L80-W95 HydrophobicContact CD2-CH2 3.51Å; L80-W95 HydrophobicContact CD2-CZ2 3.97Å; L80-W95 HydrophobicContact CD2-CZ3 4.07Å; L80-L98 HydrophobicContact CB-CD1 4.2Å; L80-H100 PolarHBondContact N-O 3.16Å; L80-L101 HydrophobicContact CB-CD1 3.91Å; L80-L101 HydrophobicContact CD2-CD1 3.83Å; L80-L101 HydrophobicContact CG-CD1 3.98Å; L80-D102 PolarHBondContact O-N 2.74Å
81	R	98.8	Very high	97.6	Very high	99 Å²	99	34.1 Å²	34.1	37%	0.374	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	110.1	171.9	-66.5	-177.5	166.7	124	2.2	109.2	Y57 I58 N59 I60 G61 V79 D102	Y57-R81 VanDerWaalsContact CE2-NH1 3.3Å; Y57-R81 PolarHBondContact OH-NH1 2.7Å; I58-R81 PolarHBondContact O-N 3.44Å; N59-R81 WeakPolarHBondContact CA-O 3.45Å; N59-R81 HydrophobicContact CB-CB 4.22Å; I60-R81 WeakPolarHBondContact CG1-O 3.44Å; I60-R81 PolarHBondContact N-O 3.37Å; G61-R81 PolarHBondContact N-O 2.95Å; V79-R81 HydrophobicContact CG1-CG 4.21Å; R81-D102 HydrophobicContact CG-CB 4.23Å
82	A	98.7	Very high	97.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.			trans	-133.3	30.3	-179.8	0	0	0	0	0	111.3	I60 L68 N85 I87 D102 L103 N106	I60-A82 HydrophobicContact CD1-CB 4.03Å; I60-A82 HydrophobicContact CG1-CB 3.9Å; L68-A82 HydrophobicContact CD1-CB 4.42Å; L68-A82 HydrophobicContact CD2-CB 4.18Å; A82-N85 PolarHBondContact O-ND2 2.76Å; A82-N85 VanDerWaalsContact O-ND2 3.1Å; A82-I87 HydrophobicContact CB-CD1 3.89Å; A82-D102 CarbonylContact C-O 3.57Å; A82-D102 PolarHBondContact N-O 2.95Å; A82-L103 HydrophobicContact CB-CD2 4.2Å; A82-N106 PolarHBondContact O-ND2 3.29Å
83	S	98.7	Very high	97.3	Very high	11 Å²	11	35.5 Å²	35.5	8%	0.077	20%	0.195	C	C	.	.			trans	-68.2	156.1	177	49.4	0	0	0	0	112.6	G61 F62 N85 D102 R104	G61-S83 CarbonylContact C-O 3.18Å; G61-S83 WeakPolarHBondContact CA-O 3.45Å; F62-S83 PolarHBondContact N-O 2.81Å; S83-N85 PolarHBondContact O-ND2 3.24Å; S83-D102 PolarHBondContact N-O 2.66Å; S83-D102 PolarHBondContact OG-OD2 3.22Å; S83-R104 CarbonylContact C-O 3.52Å; S83-R104 WeakPolarHBondContact CA-O 3.41Å; S83-R104 WeakPolarHBondContact CB-O 3.31Å
84	Y	98.7	Very high	97.3	Very high	110 Å²	110	38 Å²	38	43%	0.431	19%	0.193	S	C	.	.	S	Bend	trans	55.3	61.3	-176.9	-62.4	-90.1	0	0	0	111.7	F62 N63 R104 N105	F62-Y84 CarbonylContact C-O 3.54Å; F62-Y84 WeakPolarHBondContact CA-O 3.39Å; F62-Y84 HydrophobicContact CD1-CD1 4.29Å; F62-Y84 HydrophobicContact CD1-CD2 4.04Å; F62-Y84 AromaticContact CD1-CG 3.76Å; F62-Y84 HydrophobicContact CD1-CG 3.76Å; F62-Y84 HydrophobicContact CD2-CD2 4.33Å; F62-Y84 AromaticContact CE1-CD1 3.88Å; F62-Y84 HydrophobicContact CE1-CD1 3.88Å; F62-Y84 AromaticContact CE1-CD2 3.45Å; F62-Y84 HydrophobicContact CE1-CD2 3.45Å; F62-Y84 VanDerWaalsContact CE1-CD2 3.45Å; F62-Y84 HydrophobicContact CE1-CE1 4.19Å; F62-Y84 AromaticContact CE1-CE2 3.79Å; F62-Y84 HydrophobicContact CE1-CE2 3.79Å; F62-Y84 AromaticContact CE1-CG 3.49Å; F62-Y84 HydrophobicContact CE1-CG 3.49Å; F62-Y84 VanDerWaalsContact CE1-CG 3.49Å; F62-Y84 AromaticContact CE2-CD2 3.79Å; F62-Y84 HydrophobicContact CE2-CD2 3.79Å; F62-Y84 HydrophobicContact CE2-CE2 4.24Å; F62-Y84 HydrophobicContact CE2-CG 4.45Å; F62-Y84 HydrophobicContact CG-CD2 4.45Å; F62-Y84 HydrophobicContact CG-CG 4.36Å; F62-Y84 AromaticContact CZ-CD2 3.31Å; F62-Y84 HydrophobicContact CZ-CD2 3.31Å; F62-Y84 AromaticContact CZ-CE2 3.47Å; F62-Y84 HydrophobicContact CZ-CE2 3.47Å; F62-Y84 VanDerWaalsContact CZ-CE2 3.47Å; F62-Y84 AromaticContact CZ-CG 3.88Å; F62-Y84 HydrophobicContact CZ-CG 3.88Å; F62-Y84 PolarHBondContact N-O 2.71Å; F62-Y84 VanDerWaalsContact N-O 3.14Å; N63-Y84 PolarHBondContact N-O 3.22Å; Y84-R104 PolarHBondContact N-O 2.84Å; Y84-N105 WeakPolarHBondContact CA-O 3.24Å; Y84-N105 HydrophobicContact CD1-CB 3.55Å; Y84-N105 HydrophobicContact CD2-CB 4.21Å; Y84-N105 HydrophobicContact CE1-CB 3.8Å; Y84-N105 WeakPolarHBondContact CE1-ND2 3.45Å; Y84-N105 HydrophobicContact CE2-CB 4.43Å; Y84-N105 WeakPolarHBondContact CE2-ND2 3.29Å; Y84-N105 HydrophobicContact CG-CB 3.78Å; Y84-N105 VanDerWaalsContact CZ-CG 3.5Å; Y84-N105 PolarHBondContact N-O 3.29Å; Y84-N105 PolarHBondContact OH-ND2 3.38Å
85	N	98.6	Very high	97.3	Very high	10 Å²	10	38 Å²	38	5%	0.053	19%	0.193	C	C	.	.	S	Bend	trans	-134.8	-170.5	174.5	-87.6	-75.4	0	0	0	109.2	I60 N63 R64 I65 A82 S83 I87 N105 N106	I60-N85 PolarHBondContact O-ND2 2.99Å; N63-N85 WeakPolarHBondContact CA-OD1 3.16Å; N63-N85 WeakPolarHBondContact CB-OD1 3.17Å; N63-N85 PolarHBondContact O-OD1 2.91Å; R64-N85 PolarHBondContact N-OD1 2.73Å; I65-N85 HydrophobicContact CB-CB 4.45Å; I65-N85 VanDerWaalsContact CB-OD1 3.26Å; I65-N85 WeakPolarHBondContact CB-OD1 3.35Å; I65-N85 WeakPolarHBondContact CG1-OD1 3.04Å; I65-N85 PolarHBondContact N-OD1 2.89Å; A82-N85 PolarHBondContact O-ND2 2.76Å; A82-N85 VanDerWaalsContact O-ND2 3.1Å; S83-N85 PolarHBondContact O-ND2 3.24Å; N85-I87 HydrophobicContact CB-CD1 4.11Å; N85-I87 HydrophobicContact CB-CG1 4.07Å; N85-N105 PolarHBondContact N-O 2.74Å; N85-N105 VanDerWaalsContact N-O 3.13Å; N85-N106 WeakPolarHBondContact CA-OD1 3.31Å; N85-N106 WeakPolarHBondContact CB-OD1 3.4Å; N85-N106 PolarHBondContact O-OD1 2.88Å
86	E	98.3	Very high	97.4	Very high	55 Å²	55	38 Å²	38	26%	0.257	19%	0.19	S	C	.	.			trans	-112.7	28.4	-179.7	-58	-172.1	-147.1	0	0	111.4	I65 T66 E88 N106 R107	I65-E86 CarbonylContact O-C 3.43Å; I65-E86 VanDerWaalsContact O-C 3.23Å; I65-E86 WeakPolarHBondContact O-CA 3.49Å; I65-E86 PolarHBondContact O-N 2.98Å; T66-E86 HydrophobicContact CG2-CB 4.14Å; E86-E88 PolarHBondContact O-N 2.88Å; E86-N106 PolarHBondContact N-OD1 3.01Å; E86-R107 IonicContact OE1-NH2 3.35Å; E86-R107 IonicContact OE2-CZ 3.1Å; E86-R107 IonicContact OE2-NH1 2.95Å; E86-R107 PolarHBondContact OE2-NH1 3.07Å; E86-R107 IonicContact OE2-NH2 3.87Å; E86-R107 PolarHBondContact OE2-NH2 3.25Å
87	I	98.6	Very high	97.5	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.194	C	C	.	.			trans	-67.7	123	-173.3	-60.2	161.9	0	0	0	110.1	I65 T66 L68 A82 N85 E89 L103 N106 R107 I108	I65-I87 WeakPolarHBondContact O-CG1 3.5Å; I65-I87 PolarHBondContact O-N 2.71Å; T66-I87 WeakPolarHBondContact O-CA 3.43Å; L68-I87 HydrophobicContact CD1-CD1 3.82Å; L68-I87 HydrophobicContact CD2-CD1 3.88Å; L68-I87 HydrophobicContact CG-CD1 3.74Å; L68-I87 HydrophobicContact CG-CG1 4.4Å; A82-I87 HydrophobicContact CB-CD1 3.89Å; N85-I87 HydrophobicContact CB-CD1 4.11Å; N85-I87 HydrophobicContact CB-CG1 4.07Å; I87-E89 WeakPolarHBondContact CG2-O 3.48Å; I87-L103 HydrophobicContact CD1-CD2 4.01Å; I87-N106 HydrophobicContact CB-CB 4.2Å; I87-N106 VanDerWaalsContact CB-OD1 3.22Å; I87-N106 WeakPolarHBondContact CB-OD1 3.46Å; I87-N106 WeakPolarHBondContact CG1-OD1 3.15Å; I87-N106 PolarHBondContact N-OD1 2.96Å; I87-R107 CarbonylContact O-C 3.18Å; I87-R107 VanDerWaalsContact O-C 3.23Å; I87-R107 WeakPolarHBondContact O-CA 3.49Å; I87-R107 PolarHBondContact O-N 2.76Å; I87-I108 HydrophobicContact CG2-CG1 4.33Å; I87-I108 WeakPolarHBondContact O-CG1 3.45Å; I87-I108 PolarHBondContact O-N 3.23Å
88	E	97.3	Very high	97.5	Very high	100 Å²	100	38.9 Å²	38.9	47%	0.467	19%	0.194	S	C	.	.			trans	-99.3	-28.3	-176.9	-59.2	-168	-176	0	0	113.6	T66 E86 R107 I108	T66-E88 PolarHBondContact O-N 3.42Å; E86-E88 PolarHBondContact O-N 2.88Å; E88-R107 HydrophobicContact CG-CB 4.14Å; E88-I108 WeakPolarHBondContact O-CA 3.49Å
89	E	97	Very high	97.6	Very high	58 Å²	58	37 Å²	37	27%	0.271	19%	0.186	S	C	.	.	S	Bend	trans	-102.6	134.4	180	64.1	-178.3	-158.7	0	0	111.2	R69 Y72 I87	R69-E89 VanDerWaalsContact CG-OE1 3.27Å; R69-E89 WeakPolarHBondContact CG-OE1 3.31Å; R69-E89 IonicContact CZ-OE1 3.71Å; R69-E89 IonicContact CZ-OE2 3.57Å; R69-E89 IonicContact NE-OE1 2.86Å; R69-E89 PolarHBondContact NE-OE1 3.15Å; R69-E89 IonicContact NE-OE2 3.48Å; R69-E89 PolarHBondContact NE-OE2 2.97Å; R69-E89 IonicContact NH2-OE1 3.69Å; R69-E89 IonicContact NH2-OE2 2.79Å; R69-E89 PolarHBondContact NH2-OE2 2.98Å; Y72-E89 PolarHBondContact OH-OE1 2.92Å; I87-E89 WeakPolarHBondContact CG2-O 3.48Å
90	F	97.7	Very high	97.6	Very high	7 Å²	7	39.2 Å²	39.2	3%	0.031	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-64.2	127.1	168.1	-176.2	-106.6	0	0	0	108.5	L103 I108 R110 L111 T112 V114 Y116 L122 L124	F90-L103 HydrophobicContact CD2-CD1 4.07Å; F90-L103 HydrophobicContact CE2-CD1 3.99Å; F90-I108 HydrophobicContact CB-CG2 3.92Å; F90-I108 HydrophobicContact CD2-CD1 4.46Å; F90-R110 WeakPolarHBondContact CB-O 3.37Å; F90-L111 HydrophobicContact CB-CD2 4.37Å; F90-L111 HydrophobicContact CD1-CD2 4.38Å; F90-L111 HydrophobicContact CD2-CD2 3.67Å; F90-L111 HydrophobicContact CE2-CD2 4Å; F90-L111 HydrophobicContact CG-CD2 3.89Å; F90-L111 HydrophobicContact CZ-CD2 4.47Å; F90-T112 HydrophobicContact CB-CG2 4.29Å; F90-T112 HydrophobicContact CD1-CG2 3.76Å; F90-V114 HydrophobicContact CD1-CG1 4.12Å; F90-V114 HydrophobicContact CE1-CB 4.46Å; F90-V114 HydrophobicContact CE1-CG1 3.62Å; F90-V114 HydrophobicContact CE1-CG2 4Å; F90-Y116 HydrophobicContact CE1-CE2 4.49Å; F90-L122 HydrophobicContact CE2-CD1 4.24Å; F90-L122 HydrophobicContact CE2-CD2 4.41Å; F90-L122 HydrophobicContact CZ-CD2 4.3Å; F90-L124 HydrophobicContact CD2-CD2 3.97Å; F90-L124 HydrophobicContact CE2-CD1 4.18Å; F90-L124 HydrophobicContact CE2-CD2 3.99Å
91	P	97.4	Very high	97.6	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-67.3	139.4	-173.8	27.1	-34.9	0	0	0	111.5	L68 Y72 W95 L101 L103 Y116	L68-P91 HydrophobicContact CB-CB 4.36Å; L68-P91 HydrophobicContact CD1-CB 4.02Å; L68-P91 HydrophobicContact CD1-CG 4Å; Y72-P91 HydrophobicContact CE1-CB 3.85Å; Y72-P91 WeakPolarHBondContact OH-CA 3.26Å; P91-W95 HydrophobicContact CB-CH2 3.5Å; P91-W95 HydrophobicContact CB-CZ3 3.76Å; P91-W95 HydrophobicContact CG-CH2 3.95Å; P91-W95 HydrophobicContact CG-CZ3 3.86Å; P91-L101 HydrophobicContact CG-CD2 4.19Å; P91-L103 HydrophobicContact CG-CD1 3.8Å; P91-Y116 PolarHBondContact O-OH 3.02Å
92	C	95.5	Very high	97.6	Very high	70 Å²	70	35.1 Å²	35.1	47%	0.473	18%	0.18	S	C	.	.			trans	-118.4	28.3	176.2	61.4	0	0	0	0	112.8	Y72 T112 V114	Y72-C92 VanDerWaalsContact CE2-SG 3.52Å; Y72-C92 PolarHBondContact OH-N 3.09Å; C92-T112 HydrophobicContact CB-CG2 4.01Å; C92-V114 HydrophobicContact CB-CG1 4.41Å
93	G	93.7	Very high	97.6	Very high	5 Å²	5	35.1 Å²	35.1	5%	0.052	18%	0.18	C	C	.	.			trans	-60.9	155.5	179.1	0	0	0	0	0	113.2	Y72 W95 Y116	Y72-G93 VanDerWaalsContact CD1-CA 3.44Å; Y72-G93 VanDerWaalsContact CG-CA 3.44Å; G93-W95 PolarHBondContact O-N 3.5Å; G93-W95 VanDerWaalsContact O-N 3.16Å; G93-Y116 PolarHBondContact N-OH 2.75Å; G93-Y116 WeakPolarHBondContact O-CE1 3.33Å; G93-Y116 PolarHBondContact O-OH 3.14Å
94	N	94.1	Very high	97.6	Very high	115 Å²	115	38.8 Å²	38.8	62%	0.615	19%	0.192	S	C	*	.			trans	-84.1	89.1	175.9	-177.4	16.1	0	0	0	109.9	Y72 P96	Y72-N94 PolarHBondContact O-N 3.07Å; N94-P96 VanDerWaalsContact C-CD 3.47Å; N94-P96 VanDerWaalsContact O-CD 3.3Å; N94-P96 WeakPolarHBondContact O-CD 3.42Å
95	W	97.4	Very high	97.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.			trans	-121	71.1	-175.2	-52.1	-41.9	0	0	0	112.1	L71 Y72 L77 L80 P91 G93 M97 L98 L101 Y116	L71-W95 HydrophobicContact CB-CZ2 4.11Å; L71-W95 PolarHBondContact O-NE1 3.26Å; Y72-W95 HydrophobicContact CD1-CZ2 4.03Å; Y72-W95 HydrophobicContact CE1-CZ2 4.45Å; L77-W95 HydrophobicContact CD2-CD2 4.34Å; L77-W95 HydrophobicContact CD2-CG 4.45Å; L77-W95 HydrophobicContact CD2-CZ2 4.36Å; L80-W95 HydrophobicContact CD2-CH2 3.51Å; L80-W95 HydrophobicContact CD2-CZ2 3.97Å; L80-W95 HydrophobicContact CD2-CZ3 4.07Å; P91-W95 HydrophobicContact CB-CH2 3.5Å; P91-W95 HydrophobicContact CB-CZ3 3.76Å; P91-W95 HydrophobicContact CG-CH2 3.95Å; P91-W95 HydrophobicContact CG-CZ3 3.86Å; G93-W95 PolarHBondContact O-N 3.5Å; G93-W95 VanDerWaalsContact O-N 3.16Å; W95-M97 PolarHBondContact O-N 2.96Å; W95-M97 VanDerWaalsContact O-N 3.14Å; W95-L98 HydrophobicContact CB-CB 3.77Å; W95-L98 HydrophobicContact CB-CD2 4.25Å; W95-L98 HydrophobicContact CB-CG 4.5Å; W95-L98 HydrophobicContact CD2-CD2 4.27Å; W95-L98 HydrophobicContact CE3-CD2 3.54Å; W95-L98 HydrophobicContact CZ3-CD2 4.16Å; W95-L98 WeakPolarHBondContact O-CB 3.35Å; W95-L98 PolarHBondContact O-N 3.45Å; W95-L98 VanDerWaalsContact O-N 3.15Å; W95-L101 HydrophobicContact CZ3-CD1 4.43Å; W95-L101 HydrophobicContact CZ3-CD2 4.36Å; W95-Y116 HydrophobicContact CB-CD1 4.29Å; W95-Y116 HydrophobicContact CB-CE1 4.05Å; W95-Y116 HydrophobicContact CD2-CE1 4.26Å; W95-Y116 AromaticContact CE3-CE1 3.66Å; W95-Y116 HydrophobicContact CE3-CE1 3.66Å; W95-Y116 HydrophobicContact CE3-CE2 4.42Å; W95-Y116 AromaticContact CE3-CZ 3.56Å; W95-Y116 VanDerWaalsContact CE3-OH 3.29Å; W95-Y116 HydrophobicContact CG-CE1 4.43Å; W95-Y116 WeakPolarHBondContact CZ3-OH 3.48Å
96	P	96.8	Very high	97.6	Very high	39 Å²	39	35.3 Å²	35.3	25%	0.253	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-21.9	-175.2	27.9	-36.1	0	0	0	112.9	N94 R118	N94-P96 VanDerWaalsContact C-CD 3.47Å; N94-P96 VanDerWaalsContact O-CD 3.3Å; N94-P96 WeakPolarHBondContact O-CD 3.42Å; P96-R118 WeakPolarHBondContact O-CD 3.47Å; P96-R118 WeakPolarHBondContact O-CG 3.45Å
97	M	97.2	Very high	97.6	Very high	47 Å²	47	37.3 Å²	37.3	23%	0.232	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-5.3	-179.1	-55.6	-63.9	97.1	0	0	113.8	A75 L77 I78 W95 T99 R118	A75-M97 WeakPolarHBondContact O-CG 3.25Å; L77-M97 CarbonylContact O-C 3.29Å; L77-M97 VanDerWaalsContact O-C 3.27Å; I78-M97 HydrophobicContact CG1-CB 4.34Å; W95-M97 PolarHBondContact O-N 2.96Å; W95-M97 VanDerWaalsContact O-N 3.14Å; M97-T99 PolarHBondContact O-N 3.26Å; M97-R118 VanDerWaalsContact SD-CZ 3.6Å; M97-R118 PolarHBondContact SD-NH1 2.71Å
98	L	98.6	Very high	97.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.186	C	C	.	.			trans	-67.2	131.2	-171	-164.9	71	0	0	0	111.2	L77 L80 W95 L101 R118 L119	L77-L98 HydrophobicContact CD2-CD1 4.33Å; L77-L98 HydrophobicContact CG-CD1 4.05Å; L77-L98 VanDerWaalsContact O-CA 3.25Å; L77-L98 WeakPolarHBondContact O-CA 3.29Å; L77-L98 PolarHBondContact O-N 3.22Å; L77-L98 VanDerWaalsContact O-N 3.1Å; L80-L98 HydrophobicContact CB-CD1 4.2Å; W95-L98 HydrophobicContact CB-CB 3.77Å; W95-L98 HydrophobicContact CB-CD2 4.25Å; W95-L98 HydrophobicContact CB-CG 4.5Å; W95-L98 HydrophobicContact CD2-CD2 4.27Å; W95-L98 HydrophobicContact CE3-CD2 3.54Å; W95-L98 HydrophobicContact CZ3-CD2 4.16Å; W95-L98 WeakPolarHBondContact O-CB 3.35Å; W95-L98 PolarHBondContact O-N 3.45Å; W95-L98 VanDerWaalsContact O-N 3.15Å; L98-L101 HydrophobicContact CD2-CB 4.02Å; L98-L101 HydrophobicContact CD2-CD1 4.49Å; L98-L101 HydrophobicContact CD2-CD2 4.22Å; L98-L101 HydrophobicContact CD2-CG 4.49Å; L98-R118 CarbonylContact O-C 3.56Å; L98-R118 WeakPolarHBondContact O-CB 3.15Å; L98-L119 HydrophobicContact CD2-CD1 4.06Å; L98-L119 HydrophobicContact CG-CD1 4.07Å; L98-L119 VanDerWaalsContact O-CA 3.31Å; L98-L119 WeakPolarHBondContact O-CA 3.37Å; L98-L119 PolarHBondContact O-N 2.95Å
99	T	98.7	Very high	97.6	Very high	28 Å²	28	37.8 Å²	37.8	17%	0.172	19%	0.186	C	C	.	.			trans	-116.9	-30.6	179.8	61	0	0	0	0	112.2	I78 M97 R118 L120 V121	I78-T99 HydrophobicContact CG2-CG2 4.04Å; I78-T99 WeakPolarHBondContact CG2-OG1 3.41Å; I78-T99 PolarHBondContact O-N 2.96Å; I78-T99 PolarHBondContact O-OG1 3.11Å; M97-T99 PolarHBondContact O-N 3.26Å; T99-R118 HydrophobicContact CG2-CB 4.48Å; T99-L120 WeakPolarHBondContact O-CB 3.34Å; T99-L120 PolarHBondContact O-N 3.24Å; T99-V121 PolarHBondContact O-N 2.96Å; T99-V121 VanDerWaalsContact O-N 3.12Å
100	H	98.8	Very high	97.4	Very high	68 Å²	68	42 Å²	42	32%	0.315	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	122.7	-177.3	-65.1	74.4	0	0	0	110.2	I78 V79 L80	I78-H100 PolarHBondContact O-N 2.95Å; V79-H100 WeakPolarHBondContact CA-O 3.4Å; V79-H100 HydrophobicContact CG1-CB 4.12Å; V79-H100 HydrophobicContact CG2-CB 4.21Å; L80-H100 PolarHBondContact N-O 3.16Å
101	L	98.8	Very high	97.3	Very high	2 Å²	2	42 Å²	42	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	114.3	175.4	-178	54.1	0	0	0	109.6	L80 P91 W95 L98 L103 Y116 L119 V121 L122 F123	L80-L101 HydrophobicContact CB-CD1 3.91Å; L80-L101 HydrophobicContact CD2-CD1 3.83Å; L80-L101 HydrophobicContact CG-CD1 3.98Å; P91-L101 HydrophobicContact CG-CD2 4.19Å; W95-L101 HydrophobicContact CZ3-CD1 4.43Å; W95-L101 HydrophobicContact CZ3-CD2 4.36Å; L98-L101 HydrophobicContact CD2-CB 4.02Å; L98-L101 HydrophobicContact CD2-CD1 4.49Å; L98-L101 HydrophobicContact CD2-CD2 4.22Å; L98-L101 HydrophobicContact CD2-CG 4.49Å; L101-L103 HydrophobicContact CD1-CD1 4.05Å; L101-L103 HydrophobicContact CD1-CD2 4.24Å; L101-L103 HydrophobicContact CD1-CG 3.89Å; L101-L103 HydrophobicContact CD2-CD1 3.85Å; L101-L103 HydrophobicContact CG-CD1 3.82Å; L101-L103 HydrophobicContact CG-CG 3.97Å; L101-Y116 HydrophobicContact CD2-CE2 4.39Å; L101-L119 HydrophobicContact CB-CD1 3.93Å; L101-V121 PolarHBondContact N-O 3.21Å; L101-L122 HydrophobicContact CB-CD1 3.94Å; L101-L122 HydrophobicContact CD2-CD1 3.86Å; L101-L122 HydrophobicContact CG-CD1 3.89Å; L101-L122 WeakPolarHBondContact O-CA 3.43Å; L101-F123 PolarHBondContact O-N 3.49Å
102	D	98.9	Very high	97.1	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.053	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	108.4	178.3	-178.4	7.9	0	0	0	110.3	L80 R81 A82 S83 R104	L80-D102 PolarHBondContact O-N 2.74Å; R81-D102 HydrophobicContact CG-CB 4.23Å; A82-D102 CarbonylContact C-O 3.57Å; A82-D102 PolarHBondContact N-O 2.95Å; S83-D102 PolarHBondContact N-O 2.66Å; S83-D102 PolarHBondContact OG-OD2 3.22Å; D102-R104 WeakPolarHBondContact OD1-CG 3.34Å; D102-R104 IonicContact OD1-CZ 2.73Å; D102-R104 PolarHBondContact OD1-N 3.37Å; D102-R104 IonicContact OD1-NE 2.7Å; D102-R104 PolarHBondContact OD1-NE 3.31Å; D102-R104 IonicContact OD1-NH2 3.62Å; D102-R104 IonicContact OD2-CZ 2.71Å; D102-R104 IonicContact OD2-NE 2.81Å; D102-R104 PolarHBondContact OD2-NE 2.8Å; D102-R104 IonicContact OD2-NH2 3.17Å; D102-R104 PolarHBondContact OD2-NH2 2.84Å
103	L	98.9	Very high	96.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.219	C	C	.	.			trans	-120.8	21.9	-179	-66.4	167.7	0	0	0	111.4	L68 A82 I87 F90 P91 L101 N106 I108 F123 L124 N127	L68-L103 HydrophobicContact CD1-CD2 3.77Å; A82-L103 HydrophobicContact CB-CD2 4.2Å; I87-L103 HydrophobicContact CD1-CD2 4.01Å; F90-L103 HydrophobicContact CD2-CD1 4.07Å; F90-L103 HydrophobicContact CE2-CD1 3.99Å; P91-L103 HydrophobicContact CG-CD1 3.8Å; L101-L103 HydrophobicContact CD1-CD1 4.05Å; L101-L103 HydrophobicContact CD1-CD2 4.24Å; L101-L103 HydrophobicContact CD1-CG 3.89Å; L101-L103 HydrophobicContact CD2-CD1 3.85Å; L101-L103 HydrophobicContact CG-CD1 3.82Å; L101-L103 HydrophobicContact CG-CG 3.97Å; L103-N106 PolarHBondContact O-ND2 3.48Å; L103-I108 HydrophobicContact CB-CD1 3.99Å; L103-I108 HydrophobicContact CD1-CD1 3.9Å; L103-I108 HydrophobicContact CG-CD1 4.38Å; L103-F123 CarbonylContact C-O 3.48Å; L103-F123 WeakPolarHBondContact CA-O 3.15Å; L103-F123 PolarHBondContact N-O 2.85Å; L103-L124 HydrophobicContact CB-CD2 4.02Å; L103-L124 HydrophobicContact CD1-CD2 4.02Å; L103-N127 PolarHBondContact O-ND2 3.28Å
104	R	98.9	Very high	96.9	Very high	89 Å²	89	45.7 Å²	45.7	34%	0.336	22%	0.22	S	C	.	.			trans	-60.1	149.6	-180	-66.3	174.7	-73.4	175.6	1	111.9	S83 Y84 D102 N106 F123 D125	S83-R104 CarbonylContact C-O 3.52Å; S83-R104 WeakPolarHBondContact CA-O 3.41Å; S83-R104 WeakPolarHBondContact CB-O 3.31Å; Y84-R104 PolarHBondContact N-O 2.84Å; D102-R104 WeakPolarHBondContact OD1-CG 3.34Å; D102-R104 IonicContact OD1-CZ 2.73Å; D102-R104 PolarHBondContact OD1-N 3.37Å; D102-R104 IonicContact OD1-NE 2.7Å; D102-R104 PolarHBondContact OD1-NE 3.31Å; D102-R104 IonicContact OD1-NH2 3.62Å; D102-R104 IonicContact OD2-CZ 2.71Å; D102-R104 IonicContact OD2-NE 2.81Å; D102-R104 PolarHBondContact OD2-NE 2.8Å; D102-R104 IonicContact OD2-NH2 3.17Å; D102-R104 PolarHBondContact OD2-NH2 2.84Å; R104-N106 PolarHBondContact O-ND2 3.46Å; R104-F123 HydrophobicContact CG-CB 3.54Å; R104-D125 CarbonylContact C-O 3.05Å; R104-D125 WeakPolarHBondContact CA-O 3.46Å; R104-D125 WeakPolarHBondContact CD-OD2 3.49Å; R104-D125 HydrophobicContact CG-CB 3.9Å
105	N	98.8	Very high	97	Very high	36 Å²	36	45.3 Å²	45.3	19%	0.193	22%	0.218	C	C	.	.	S	Bend	trans	57	59.8	178	-53	-85	0	0	0	111.4	Y84 N85 D125 N126	Y84-N105 WeakPolarHBondContact CA-O 3.24Å; Y84-N105 HydrophobicContact CD1-CB 3.55Å; Y84-N105 HydrophobicContact CD2-CB 4.21Å; Y84-N105 HydrophobicContact CE1-CB 3.8Å; Y84-N105 WeakPolarHBondContact CE1-ND2 3.45Å; Y84-N105 HydrophobicContact CE2-CB 4.43Å; Y84-N105 WeakPolarHBondContact CE2-ND2 3.29Å; Y84-N105 HydrophobicContact CG-CB 3.78Å; Y84-N105 VanDerWaalsContact CZ-CG 3.5Å; Y84-N105 PolarHBondContact N-O 3.29Å; Y84-N105 PolarHBondContact OH-ND2 3.38Å; N85-N105 PolarHBondContact N-O 2.74Å; N85-N105 VanDerWaalsContact N-O 3.13Å; N105-D125 PolarHBondContact N-O 3.14Å; N105-N126 WeakPolarHBondContact CA-O 3.31Å; N105-N126 PolarHBondContact N-O 3.48Å; N105-N126 PolarHBondContact OD1-ND2 3.47Å
106	N	98.8	Very high	97	Very high	11 Å²	11	45.4 Å²	45.4	6%	0.059	22%	0.218	C	C	.	.	S	Bend	trans	-130.6	-167.8	173.7	-84.4	-74.3	0	0	0	109.1	A82 N85 E86 I87 L103 R104 I108 N126 N127	A82-N106 PolarHBondContact O-ND2 3.29Å; N85-N106 WeakPolarHBondContact CA-OD1 3.31Å; N85-N106 WeakPolarHBondContact CB-OD1 3.4Å; N85-N106 PolarHBondContact O-OD1 2.88Å; E86-N106 PolarHBondContact N-OD1 3.01Å; I87-N106 HydrophobicContact CB-CB 4.2Å; I87-N106 VanDerWaalsContact CB-OD1 3.22Å; I87-N106 WeakPolarHBondContact CB-OD1 3.46Å; I87-N106 WeakPolarHBondContact CG1-OD1 3.15Å; I87-N106 PolarHBondContact N-OD1 2.96Å; L103-N106 PolarHBondContact O-ND2 3.48Å; R104-N106 PolarHBondContact O-ND2 3.46Å; N106-I108 HydrophobicContact CB-CD1 4.48Å; N106-I108 HydrophobicContact CB-CG1 4.27Å; N106-N126 PolarHBondContact N-O 3.22Å; N106-N127 WeakPolarHBondContact CA-OD1 3.28Å; N106-N127 WeakPolarHBondContact CB-OD1 3.37Å; N106-N127 PolarHBondContact O-OD1 3.28Å
107	R	98.4	Very high	97	Very high	97 Å²	97	45.7 Å²	45.7	37%	0.366	22%	0.22	S	C	.	.			trans	-117.6	28.6	-177.7	-60.5	-179	-176.8	154.5	9.1	111.9	E86 I87 E88 K109 N127	E86-R107 IonicContact OE1-NH2 3.35Å; E86-R107 IonicContact OE2-CZ 3.1Å; E86-R107 IonicContact OE2-NH1 2.95Å; E86-R107 PolarHBondContact OE2-NH1 3.07Å; E86-R107 IonicContact OE2-NH2 3.87Å; E86-R107 PolarHBondContact OE2-NH2 3.25Å; I87-R107 CarbonylContact O-C 3.18Å; I87-R107 VanDerWaalsContact O-C 3.23Å; I87-R107 WeakPolarHBondContact O-CA 3.49Å; I87-R107 PolarHBondContact O-N 2.76Å; E88-R107 HydrophobicContact CG-CB 4.14Å; R107-K109 PolarHBondContact O-N 2.76Å; R107-N127 PolarHBondContact N-OD1 3.37Å
108	I	98.5	Very high	97.1	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.23	C	C	.	.			trans	-68.9	118.6	-175.7	-59.1	171.6	0	0	0	109.3	I87 E88 F90 L103 N106 R110 L124 N127 Q128 L129	I87-I108 HydrophobicContact CG2-CG1 4.33Å; I87-I108 WeakPolarHBondContact O-CG1 3.45Å; I87-I108 PolarHBondContact O-N 3.23Å; E88-I108 WeakPolarHBondContact O-CA 3.49Å; F90-I108 HydrophobicContact CB-CG2 3.92Å; F90-I108 HydrophobicContact CD2-CD1 4.46Å; L103-I108 HydrophobicContact CB-CD1 3.99Å; L103-I108 HydrophobicContact CD1-CD1 3.9Å; L103-I108 HydrophobicContact CG-CD1 4.38Å; N106-I108 HydrophobicContact CB-CD1 4.48Å; N106-I108 HydrophobicContact CB-CG1 4.27Å; I108-R110 WeakPolarHBondContact CG2-O 3.33Å; I108-L124 HydrophobicContact CD1-CD2 3.88Å; I108-N127 HydrophobicContact CB-CB 4.29Å; I108-N127 VanDerWaalsContact CB-OD1 3.28Å; I108-N127 WeakPolarHBondContact CB-OD1 3.18Å; I108-N127 WeakPolarHBondContact CG1-OD1 3.37Å; I108-N127 PolarHBondContact N-OD1 3.02Å; I108-Q128 CarbonylContact O-C 3.35Å; I108-Q128 VanDerWaalsContact O-C 3.29Å; I108-Q128 WeakPolarHBondContact O-CA 3.35Å; I108-Q128 PolarHBondContact O-N 3.42Å; I108-L129 HydrophobicContact CG2-CD2 3.96Å; I108-L129 PolarHBondContact O-N 3.17Å
109	K	96.1	Very high	97.1	Very high	110 Å²	110	49 Å²	49	48%	0.478	23%	0.23	S	C	.	.			trans	-95.5	-28.4	-177.1	-68	170.4	-177.8	164.6	0	113.7	R107 Q128	R107-K109 PolarHBondContact O-N 2.76Å; K109-Q128 HydrophobicContact CG-CB 3.93Å
110	R	94.2	Very high	97.1	Very high	148 Å²	148	50.2 Å²	50.2	56%	0.558	24%	0.235	S	C	*	.			trans	-145.2	143.8	-174.7	-62	-176.4	178.7	-150.3	-3.9	109.9	F90 I108	F90-R110 WeakPolarHBondContact CB-O 3.37Å; I108-R110 WeakPolarHBondContact CG2-O 3.33Å
111	L	95.1	Very high	97.1	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.026	22%	0.223	C	C	.	.			trans	-79.3	163.8	166.4	-59.6	-179.7	0	0	0	109.9	F90 L124 L129 L132 Y141 L142	F90-L111 HydrophobicContact CB-CD2 4.37Å; F90-L111 HydrophobicContact CD1-CD2 4.38Å; F90-L111 HydrophobicContact CD2-CD2 3.67Å; F90-L111 HydrophobicContact CE2-CD2 4Å; F90-L111 HydrophobicContact CG-CD2 3.89Å; F90-L111 HydrophobicContact CZ-CD2 4.47Å; L111-L124 HydrophobicContact CD2-CD1 3.8Å; L111-L129 HydrophobicContact CD2-CD1 4.08Å; L111-L129 HydrophobicContact CD2-CD2 3.89Å; L111-L129 HydrophobicContact CG-CD1 4.42Å; L111-L129 HydrophobicContact CG-CD2 3.92Å; L111-L132 HydrophobicContact CD1-CD2 3.84Å; L111-Y141 HydrophobicContact CB-CD2 3.56Å; L111-Y141 HydrophobicContact CB-CE2 4.3Å; L111-Y141 HydrophobicContact CB-CG 3.74Å; L111-Y141 WeakPolarHBondContact O-CE2 3.07Å; L111-L142 HydrophobicContact CD1-CD1 4.01Å; L111-L142 HydrophobicContact CD1-CG 4.04Å
112	T	93.4	Very high	97.1	Very high	53 Å²	53	47.5 Å²	47.5	33%	0.325	22%	0.223	S	C	.	.			trans	-131.4	154.3	168.3	174.4	0	0	0	0	108.1	F90 C92 V114 Y141	F90-T112 HydrophobicContact CB-CG2 4.29Å; F90-T112 HydrophobicContact CD1-CG2 3.76Å; C92-T112 HydrophobicContact CB-CG2 4.01Å; T112-V114 HydrophobicContact CG2-CG1 4.39Å; T112-V114 PolarHBondContact O-N 2.91Å; T112-Y141 VanDerWaalsContact C-CD1 3.47Å
113	T	90	Very high	97.1	Very high	89 Å²	89	49.6 Å²	49.6	55%	0.546	23%	0.232	S	C	.	.			trans	-61.8	132.1	174.2	-52.6	0	0	0	0	109	Y141	T113-Y141 VanDerWaalsContact N-CD1 3.3Å
114	V	94.2	Very high	97.1	Very high	13 Å²	13	49.6 Å²	49.6	8%	0.079	23%	0.232	C	C	.	.			trans	-133.2	166.3	179.4	-68.9	0	0	0	0	109.9	F90 C92 T112 Y116 S146	F90-V114 HydrophobicContact CD1-CG1 4.12Å; F90-V114 HydrophobicContact CE1-CB 4.46Å; F90-V114 HydrophobicContact CE1-CG1 3.62Å; F90-V114 HydrophobicContact CE1-CG2 4Å; C92-V114 HydrophobicContact CB-CG1 4.41Å; T112-V114 HydrophobicContact CG2-CG1 4.39Å; T112-V114 PolarHBondContact O-N 2.91Å; V114-Y116 HydrophobicContact CB-CD2 3.87Å; V114-Y116 HydrophobicContact CB-CE1 4.46Å; V114-Y116 HydrophobicContact CB-CE2 3.6Å; V114-Y116 HydrophobicContact CB-CG 4.42Å; V114-Y116 HydrophobicContact CG1-CD2 4.48Å; V114-Y116 HydrophobicContact CG1-CE2 3.73Å; V114-Y116 HydrophobicContact CG2-CD2 3.54Å; V114-Y116 HydrophobicContact CG2-CE2 3.62Å; V114-Y116 HydrophobicContact CG2-CG 4.32Å; V114-S146 WeakPolarHBondContact O-CA 3.05Å; V114-S146 WeakPolarHBondContact O-CB 3.34Å
115	N	96	Very high	97.1	Very high	107 Å²	107	46.6 Å²	46.6	57%	0.572	22%	0.222	S	C	*	.			trans	-127.4	93.8	168.6	-176.6	7.7	0	0	0	108.7	P117	N115-P117 VanDerWaalsContact O-CD 3.29Å; N115-P117 WeakPolarHBondContact O-CD 3.15Å
116	Y	97.5	Very high	97.1	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.008	23%	0.232	C	C	.	.			trans	-114.7	78.1	175.9	-58.1	-42.3	0	0	0	109.5	F90 P91 G93 W95 L101 V114 R118 L119 S146	F90-Y116 HydrophobicContact CE1-CE2 4.49Å; P91-Y116 PolarHBondContact O-OH 3.02Å; G93-Y116 PolarHBondContact N-OH 2.75Å; G93-Y116 WeakPolarHBondContact O-CE1 3.33Å; G93-Y116 PolarHBondContact O-OH 3.14Å; W95-Y116 HydrophobicContact CB-CD1 4.29Å; W95-Y116 HydrophobicContact CB-CE1 4.05Å; W95-Y116 HydrophobicContact CD2-CE1 4.26Å; W95-Y116 AromaticContact CE3-CE1 3.66Å; W95-Y116 HydrophobicContact CE3-CE1 3.66Å; W95-Y116 HydrophobicContact CE3-CE2 4.42Å; W95-Y116 AromaticContact CE3-CZ 3.56Å; W95-Y116 VanDerWaalsContact CE3-OH 3.29Å; W95-Y116 HydrophobicContact CG-CE1 4.43Å; W95-Y116 WeakPolarHBondContact CZ3-OH 3.48Å; L101-Y116 HydrophobicContact CD2-CE2 4.39Å; V114-Y116 HydrophobicContact CB-CD2 3.87Å; V114-Y116 HydrophobicContact CB-CE1 4.46Å; V114-Y116 HydrophobicContact CB-CE2 3.6Å; V114-Y116 HydrophobicContact CB-CG 4.42Å; V114-Y116 HydrophobicContact CG1-CD2 4.48Å; V114-Y116 HydrophobicContact CG1-CE2 3.73Å; V114-Y116 HydrophobicContact CG2-CD2 3.54Å; V114-Y116 HydrophobicContact CG2-CE2 3.62Å; V114-Y116 HydrophobicContact CG2-CG 4.32Å; Y116-R118 PolarHBondContact O-N 3.42Å; Y116-L119 HydrophobicContact CD2-CD2 4.06Å; Y116-L119 PolarHBondContact O-N 3Å; Y116-L119 VanDerWaalsContact O-N 3.08Å; Y116-S146 PolarHBondContact N-O 3Å
117	P	97.8	Very high	97.1	Very high	44 Å²	44	48.4 Å²	48.4	29%	0.286	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-10.8	-167.6	28.1	-36.6	0	0	0	114	N115	N115-P117 VanDerWaalsContact O-CD 3.29Å; N115-P117 WeakPolarHBondContact O-CD 3.15Å
118	R	98.3	Very high	97	Very high	118 Å²	118	47.2 Å²	47.2	45%	0.445	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	2.1	-179.9	-62.5	-172.6	-176.4	179.3	3.1	113.7	P96 M97 L98 T99 Y116 L120	P96-R118 WeakPolarHBondContact O-CD 3.47Å; P96-R118 WeakPolarHBondContact O-CG 3.45Å; M97-R118 VanDerWaalsContact SD-CZ 3.6Å; M97-R118 PolarHBondContact SD-NH1 2.71Å; L98-R118 CarbonylContact O-C 3.56Å; L98-R118 WeakPolarHBondContact O-CB 3.15Å; T99-R118 HydrophobicContact CG2-CB 4.48Å; Y116-R118 PolarHBondContact O-N 3.42Å; R118-L120 WeakPolarHBondContact O-CG 3.07Å; R118-L120 PolarHBondContact O-N 3.1Å
119	L	98.7	Very high	96.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.23	C	C	.	.			trans	-65.3	125.9	-176.5	-166.5	67.6	0	0	0	109.9	L98 L101 Y116 L122 V147 K149 L150	L98-L119 HydrophobicContact CD2-CD1 4.06Å; L98-L119 HydrophobicContact CG-CD1 4.07Å; L98-L119 VanDerWaalsContact O-CA 3.31Å; L98-L119 WeakPolarHBondContact O-CA 3.37Å; L98-L119 PolarHBondContact O-N 2.95Å; L101-L119 HydrophobicContact CB-CD1 3.93Å; Y116-L119 HydrophobicContact CD2-CD2 4.06Å; Y116-L119 PolarHBondContact O-N 3Å; Y116-L119 VanDerWaalsContact O-N 3.08Å; L119-L122 HydrophobicContact CD2-CB 4.09Å; L119-L122 HydrophobicContact CD2-CD2 4.4Å; L119-V147 HydrophobicContact CD2-CG1 4.03Å; L119-K149 CarbonylContact O-C 3.27Å; L119-L150 HydrophobicContact CD2-CD1 4.18Å; L119-L150 HydrophobicContact CG-CD1 4.11Å; L119-L150 VanDerWaalsContact O-CA 3.29Å; L119-L150 WeakPolarHBondContact O-CA 3.36Å; L119-L150 PolarHBondContact O-N 2.93Å
120	L	98.8	Very high	96.7	Very high	53 Å²	53	47.9 Å²	47.9	28%	0.277	23%	0.23	S	C	.	.			trans	-107	-39.7	-178.7	-61	-177.7	0	0	0	110.9	T99 R118 K149 H151 T152	T99-L120 WeakPolarHBondContact O-CB 3.34Å; T99-L120 PolarHBondContact O-N 3.24Å; R118-L120 WeakPolarHBondContact O-CG 3.07Å; R118-L120 PolarHBondContact O-N 3.1Å; L120-K149 HydrophobicContact CD2-CB 3.79Å; L120-H151 PolarHBondContact O-CD2 2.97Å; L120-H151 PolarHBondContact O-N 3.44Å; L120-T152 PolarHBondContact O-N 2.94Å; L120-T152 VanDerWaalsContact O-N 3.13Å
121	V	98.8	Very high	96.4	Very high	12 Å²	12	43.3 Å²	43.3	7%	0.073	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.3	-176.1	-176.5	0	0	0	0	110.3	T99 L101 F123 T152	T99-V121 PolarHBondContact O-N 2.96Å; T99-V121 VanDerWaalsContact O-N 3.12Å; L101-V121 PolarHBondContact N-O 3.21Å; V121-F123 HydrophobicContact CG1-CD1 4.35Å; V121-F123 HydrophobicContact CG1-CD2 3.82Å; V121-F123 HydrophobicContact CG1-CE1 3.95Å; V121-F123 HydrophobicContact CG1-CE2 3.37Å; V121-F123 HydrophobicContact CG1-CG 4.28Å; V121-F123 HydrophobicContact CG1-CZ 3.44Å; V121-F123 VanDerWaalsContact CG1-CZ 3.44Å; V121-T152 WeakPolarHBondContact CA-O 3.3Å; V121-T152 HydrophobicContact CG1-CG2 4.25Å
122	L	98.8	Very high	96.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.9	173	178.6	55.6	0	0	0	109.5	F90 L101 L119 L124 L142 L150 T152 L153 G154	F90-L122 HydrophobicContact CE2-CD1 4.24Å; F90-L122 HydrophobicContact CE2-CD2 4.41Å; F90-L122 HydrophobicContact CZ-CD2 4.3Å; L101-L122 HydrophobicContact CB-CD1 3.94Å; L101-L122 HydrophobicContact CD2-CD1 3.86Å; L101-L122 HydrophobicContact CG-CD1 3.89Å; L101-L122 WeakPolarHBondContact O-CA 3.43Å; L119-L122 HydrophobicContact CD2-CB 4.09Å; L119-L122 HydrophobicContact CD2-CD2 4.4Å; L122-L124 HydrophobicContact CD1-CD1 4.19Å; L122-L124 HydrophobicContact CD1-CG 4.07Å; L122-L124 HydrophobicContact CD2-CD1 3.77Å; L122-L124 HydrophobicContact CG-CD1 3.85Å; L122-L124 HydrophobicContact CG-CG 4.1Å; L122-L142 HydrophobicContact CD2-CD1 4.07Å; L122-L142 HydrophobicContact CD2-CD2 4.19Å; L122-L150 HydrophobicContact CB-CD1 3.74Å; L122-T152 PolarHBondContact N-O 2.84Å; L122-L153 HydrophobicContact CB-CD1 4.08Å; L122-L153 HydrophobicContact CD2-CD1 3.99Å; L122-L153 HydrophobicContact CG-CD1 4.02Å; L122-L153 WeakPolarHBondContact O-CA 3.42Å; L122-G154 PolarHBondContact O-N 2.98Å
123	F	98.9	Very high	95.9	Very high	55 Å²	55	41.1 Å²	41.1	24%	0.241	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120	173.3	-62.6	-55.2	0	0	0	111	L101 L103 R104 V121 T152	L101-F123 PolarHBondContact O-N 3.49Å; L103-F123 CarbonylContact C-O 3.48Å; L103-F123 WeakPolarHBondContact CA-O 3.15Å; L103-F123 PolarHBondContact N-O 2.85Å; R104-F123 HydrophobicContact CG-CB 3.54Å; V121-F123 HydrophobicContact CG1-CD1 4.35Å; V121-F123 HydrophobicContact CG1-CD2 3.82Å; V121-F123 HydrophobicContact CG1-CE1 3.95Å; V121-F123 HydrophobicContact CG1-CE2 3.37Å; V121-F123 HydrophobicContact CG1-CG 4.28Å; V121-F123 HydrophobicContact CG1-CZ 3.44Å; V121-F123 VanDerWaalsContact CG1-CZ 3.44Å; F123-T152 HydrophobicContact CE1-CG2 3.79Å; F123-T152 HydrophobicContact CZ-CG2 4.21Å
124	L	98.8	Very high	95.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.178	C	C	.	.			trans	-125.5	16.7	179.3	-72.8	161.2	0	0	0	111.2	F90 L103 I108 L111 L122 N127 L129 G154 L155 N158	F90-L124 HydrophobicContact CD2-CD2 3.97Å; F90-L124 HydrophobicContact CE2-CD1 4.18Å; F90-L124 HydrophobicContact CE2-CD2 3.99Å; L103-L124 HydrophobicContact CB-CD2 4.02Å; L103-L124 HydrophobicContact CD1-CD2 4.02Å; I108-L124 HydrophobicContact CD1-CD2 3.88Å; L111-L124 HydrophobicContact CD2-CD1 3.8Å; L122-L124 HydrophobicContact CD1-CD1 4.19Å; L122-L124 HydrophobicContact CD1-CG 4.07Å; L122-L124 HydrophobicContact CD2-CD1 3.77Å; L122-L124 HydrophobicContact CG-CD1 3.85Å; L122-L124 HydrophobicContact CG-CG 4.1Å; L124-N127 WeakPolarHBondContact O-CB 3.28Å; L124-N127 PolarHBondContact O-ND2 3.37Å; L124-L129 HydrophobicContact CB-CD1 4.17Å; L124-L129 HydrophobicContact CD1-CD1 4.12Å; L124-G154 CarbonylContact C-O 3.53Å; L124-G154 WeakPolarHBondContact CA-O 3.48Å; L124-G154 WeakPolarHBondContact CB-O 3.44Å; L124-G154 PolarHBondContact N-O 3.03Å; L124-L155 HydrophobicContact CB-CD2 4.06Å; L124-L155 HydrophobicContact CD1-CD2 4.1Å; L124-N158 PolarHBondContact O-ND2 2.75Å
125	D	98.8	Very high	94.8	Very high	25 Å²	25	41.8 Å²	41.8	13%	0.134	20%	0.198	C	C	.	.			trans	-59.1	146	179.8	-46.4	-95.5	0	0	0	111.7	R104 N105 L155 S156	R104-D125 CarbonylContact C-O 3.05Å; R104-D125 WeakPolarHBondContact CA-O 3.46Å; R104-D125 WeakPolarHBondContact CD-OD2 3.49Å; R104-D125 HydrophobicContact CG-CB 3.9Å; N105-D125 PolarHBondContact N-O 3.14Å; D125-L155 PolarHBondContact OD1-N 3.26Å; D125-S156 CarbonylContact C-O 3.39Å; D125-S156 WeakPolarHBondContact CA-O 3.29Å; D125-S156 WeakPolarHBondContact OD1-CB 3.49Å; D125-S156 PolarHBondContact OD1-N 2.85Å; D125-S156 PolarHBondContact OD1-OG 3.12Å
126	N	98.7	Very high	94.1	Very high	76 Å²	76	42.6 Å²	42.6	41%	0.406	21%	0.207	S	C	.	.	S	Bend	trans	55.4	61.2	-177.1	-162.2	35.8	0	0	0	112.7	N105 N106 S156 H157	N105-N126 WeakPolarHBondContact CA-O 3.31Å; N105-N126 PolarHBondContact N-O 3.48Å; N105-N126 PolarHBondContact OD1-ND2 3.47Å; N106-N126 PolarHBondContact N-O 3.22Å; N126-S156 PolarHBondContact N-O 2.9Å; N126-H157 WeakPolarHBondContact CA-O 2.94Å; N126-H157 HydrophobicContact CB-CB 4.12Å; N126-H157 PolarHBondContact N-O 2.96Å
127	N	98.7	Very high	93.3	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.048	24%	0.235	C	C	.	.	S	Bend	trans	-127	-164	171.1	-85.4	-79.3	0	0	0	108.9	L103 N106 R107 I108 L124 H157 N158	L103-N127 PolarHBondContact O-ND2 3.28Å; N106-N127 WeakPolarHBondContact CA-OD1 3.28Å; N106-N127 WeakPolarHBondContact CB-OD1 3.37Å; N106-N127 PolarHBondContact O-OD1 3.28Å; R107-N127 PolarHBondContact N-OD1 3.37Å; I108-N127 HydrophobicContact CB-CB 4.29Å; I108-N127 VanDerWaalsContact CB-OD1 3.28Å; I108-N127 WeakPolarHBondContact CB-OD1 3.18Å; I108-N127 WeakPolarHBondContact CG1-OD1 3.37Å; I108-N127 PolarHBondContact N-OD1 3.02Å; L124-N127 WeakPolarHBondContact O-CB 3.28Å; L124-N127 PolarHBondContact O-ND2 3.37Å; N127-H157 PolarHBondContact N-O 3.31Å; N127-N158 WeakPolarHBondContact CA-OD1 3.47Å; N127-N158 WeakPolarHBondContact CB-OD1 3.37Å; N127-N158 PolarHBondContact O-OD1 3.37Å
128	Q	97.4	Very high	92.4	Very high	72 Å²	72	46.8 Å²	46.8	34%	0.336	23%	0.232	S	C	.	.			trans	-119.9	26.3	-176.4	-59.2	178.3	9.3	0	0	111.8	I108 K109 R130 N158 L159	I108-Q128 CarbonylContact O-C 3.35Å; I108-Q128 VanDerWaalsContact O-C 3.29Å; I108-Q128 WeakPolarHBondContact O-CA 3.35Å; I108-Q128 PolarHBondContact O-N 3.42Å; K109-Q128 HydrophobicContact CG-CB 3.93Å; Q128-R130 PolarHBondContact O-N 2.97Å; Q128-N158 PolarHBondContact N-OD1 3.04Å; Q128-L159 HydrophobicContact CB-CD1 4.36Å
129	L	95.5	Very high	91.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.			trans	-65.7	130.2	-179.5	-63.2	172.3	0	0	0	110.1	I108 L111 L124 L155 N158 L159 I160	I108-L129 HydrophobicContact CG2-CD2 3.96Å; I108-L129 PolarHBondContact O-N 3.17Å; L111-L129 HydrophobicContact CD2-CD1 4.08Å; L111-L129 HydrophobicContact CD2-CD2 3.89Å; L111-L129 HydrophobicContact CG-CD1 4.42Å; L111-L129 HydrophobicContact CG-CD2 3.92Å; L124-L129 HydrophobicContact CB-CD1 4.17Å; L124-L129 HydrophobicContact CD1-CD1 4.12Å; L129-L155 HydrophobicContact CD1-CD2 3.69Å; L129-N158 HydrophobicContact CB-CB 4.2Å; L129-N158 VanDerWaalsContact CB-OD1 3.29Å; L129-N158 WeakPolarHBondContact CB-OD1 3.49Å; L129-N158 WeakPolarHBondContact CG-OD1 3.15Å; L129-N158 PolarHBondContact N-OD1 3.11Å; L129-L159 CarbonylContact O-C 3.6Å; L129-L159 VanDerWaalsContact O-CA 3.28Å; L129-L159 WeakPolarHBondContact O-CA 3.45Å; L129-L159 PolarHBondContact O-N 2.97Å; L129-I160 HydrophobicContact CB-CG1 4.47Å; L129-I160 PolarHBondContact O-N 3Å
130	R	92.1	Very high	91	Very high	125 Å²	125	43.3 Å²	43.3	47%	0.472	23%	0.226	S	C	.	.			trans	-107.5	-30.3	175.5	-68.2	177.1	176.8	-84.8	3.1	113.4	Q128 L159 I160	Q128-R130 PolarHBondContact O-N 2.97Å; R130-L159 WeakPolarHBondContact CA-O 3.29Å; R130-L159 HydrophobicContact CG-CB 3.76Å; R130-L159 HydrophobicContact CG-CD1 4.46Å; R130-I160 WeakPolarHBondContact O-CA 3.44Å
131	K	89	Confident	90.6	Very high	52 Å²	52	42.3 Å²	42.3	23%	0.226	22%	0.219	C	C	.	.			trans	-140.4	153.9	-178.3	-62.4	-167.2	178.4	-162.7	0	109.9	E163	K131-E163 WeakPolarHBondContact CE-OE1 3.39Å; K131-E163 IonicContact NZ-OE1 3.43Å; K131-E163 PolarHBondContact NZ-OE1 3.01Å; K131-E163 IonicContact NZ-OE2 2.86Å; K131-E163 PolarHBondContact NZ-OE2 2.82Å
132	L	91.1	Very high	90.4	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	22%	0.215	C	C	.	.	S	Bend	trans	-107.1	-3.8	174.9	-54.6	-178	0	0	0	112.6	L111 Y141 L155 I160 I176 L178	L111-L132 HydrophobicContact CD1-CD2 3.84Å; L132-Y141 VanDerWaalsContact O-CD2 3.29Å; L132-Y141 WeakPolarHBondContact O-CD2 3.34Å; L132-Y141 PolarHBondContact O-N 3.36Å; L132-L155 HydrophobicContact CD1-CD1 3.78Å; L132-L155 HydrophobicContact CD2-CD1 4.16Å; L132-L155 HydrophobicContact CD2-CD2 4.1Å; L132-I160 HydrophobicContact CD2-CD1 4.08Å; L132-I160 HydrophobicContact CG-CD1 4.4Å; L132-I176 HydrophobicContact CD1-CG2 4.07Å; L132-L178 HydrophobicContact CD1-CD1 4.38Å; L132-L178 HydrophobicContact CD1-CD2 4.04Å; L132-L178 HydrophobicContact CD1-CG 4.25Å
133	T	86.4	Confident	90.1	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.043	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-109.9	153.8	-178.8	53.6	0	0	0	0	111.7	G138 S139 C140 Y141	T133-G138 WeakPolarHBondContact CB-O 3.36Å; T133-S139 CarbonylContact C-O 3.22Å; T133-S139 VanDerWaalsContact CA-O 3.24Å; T133-S139 WeakPolarHBondContact CA-O 3.32Å; T133-C140 HydrophobicContact CG2-CB 4.45Å; T133-Y141 VanDerWaalsContact C-CE2 3.5Å; T133-Y141 WeakPolarHBondContact O-CE2 3.21Å
134	S	82.8	Confident	89.8	Confident	9 Å²	9	42 Å²	42	6%	0.063	22%	0.221	C	C	.	.			trans	-73.4	134.9	176.8	-176.5	0	0	0	0	111	T136 D137 G138 S139 Y141	S134-T136 PolarHBondContact O-N 3.17Å; S134-T136 PolarHBondContact OG-N 3.15Å; S134-T136 PolarHBondContact OG-OG1 2.65Å; S134-D137 VanDerWaalsContact CB-OD1 3.28Å; S134-D137 WeakPolarHBondContact CB-OD1 3.12Å; S134-G138 WeakPolarHBondContact O-CA 3.21Å; S134-G138 PolarHBondContact O-N 3.45Å; S134-S139 PolarHBondContact N-O 3.03Å; S134-Y141 WeakPolarHBondContact CA-OH 3.48Å
135	Q	77.5	Confident	89.5	Confident	108 Å²	108	52.1 Å²	52.1	51%	0.505	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.1	175.3	-64.1	-175.6	-28	0	0	112.8
136	T	81.4	Confident	89.3	Confident	124 Å²	124	51.2 Å²	51.2	76%	0.761	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-37.3	-176	57.2	0	0	0	0	112.7	S134	S134-T136 PolarHBondContact O-N 3.17Å; S134-T136 PolarHBondContact OG-N 3.15Å; S134-T136 PolarHBondContact OG-OG1 2.65Å
137	D	81.4	Confident	89.2	Confident	111 Å²	111	47.6 Å²	47.6	59%	0.594	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-142.1	1.3	-171.4	61.5	9.2	0	0	0	114.1	S134 S139	S134-D137 VanDerWaalsContact CB-OD1 3.28Å; S134-D137 WeakPolarHBondContact CB-OD1 3.12Å; D137-S139 VanDerWaalsContact CG-OG 3.31Å; D137-S139 PolarHBondContact O-N 3.3Å; D137-S139 VanDerWaalsContact OD1-CB 3.25Å; D137-S139 WeakPolarHBondContact OD1-CB 3.35Å; D137-S139 PolarHBondContact OD1-N 2.79Å; D137-S139 PolarHBondContact OD1-OG 2.87Å; D137-S139 PolarHBondContact OD2-OG 2.82Å
138	G	78.1	Confident	89.1	Confident	22 Å²	22	49.1 Å²	49.1	23%	0.227	25%	0.248	C	C	.	.			trans	75.4	-1.7	-178.2	0	0	0	0	0	114.7	T133 S134	T133-G138 WeakPolarHBondContact CB-O 3.36Å; S134-G138 WeakPolarHBondContact O-CA 3.21Å; S134-G138 PolarHBondContact O-N 3.45Å
139	S	81.8	Confident	89.2	Confident	35 Å²	35	51 Å²	51	25%	0.245	26%	0.255	C	S	.	.			trans	-67	141.8	-176.3	65	0	0	0	0	112.1	T133 S134 D137 Y141	T133-S139 CarbonylContact C-O 3.22Å; T133-S139 VanDerWaalsContact CA-O 3.24Å; T133-S139 WeakPolarHBondContact CA-O 3.32Å; S134-S139 PolarHBondContact N-O 3.03Å; D137-S139 VanDerWaalsContact CG-OG 3.31Å; D137-S139 PolarHBondContact O-N 3.3Å; D137-S139 VanDerWaalsContact OD1-CB 3.25Å; D137-S139 WeakPolarHBondContact OD1-CB 3.35Å; D137-S139 PolarHBondContact OD1-N 2.79Å; D137-S139 PolarHBondContact OD1-OG 2.87Å; D137-S139 PolarHBondContact OD2-OG 2.82Å; S139-Y141 PolarHBondContact O-N 3.19Å
140	C	87	Confident	89.3	Confident	11 Å²	11	51 Å²	51	7%	0.074	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-70.9	128.8	174.6	-169.9	0	0	0	0	111.1	T133 L142	T133-C140 HydrophobicContact CG2-CB 4.45Å; C140-L142 PolarHBondContact O-N 3.39Å; C140-L142 PolarHBondContact SG-N 3.45Å; C140-L142 PolarHBondContact SG-O 3.25Å
141	Y	91	Very high	89.6	Confident	32 Å²	32	47.9 Å²	47.9	13%	0.125	25%	0.245	C	C	.	.	S	Bend	trans	-65	-24.5	175.7	-70.1	-62.6	0	0	0	112.8	L111 T112 T113 L132 T133 S134 S139 S146	L111-Y141 HydrophobicContact CB-CD2 3.56Å; L111-Y141 HydrophobicContact CB-CE2 4.3Å; L111-Y141 HydrophobicContact CB-CG 3.74Å; L111-Y141 WeakPolarHBondContact O-CE2 3.07Å; T112-Y141 VanDerWaalsContact C-CD1 3.47Å; T113-Y141 VanDerWaalsContact N-CD1 3.3Å; L132-Y141 VanDerWaalsContact O-CD2 3.29Å; L132-Y141 WeakPolarHBondContact O-CD2 3.34Å; L132-Y141 PolarHBondContact O-N 3.36Å; T133-Y141 VanDerWaalsContact C-CE2 3.5Å; T133-Y141 WeakPolarHBondContact O-CE2 3.21Å; S134-Y141 WeakPolarHBondContact CA-OH 3.48Å; S139-Y141 PolarHBondContact O-N 3.19Å; Y141-S146 PolarHBondContact O-OG 3.38Å
142	L	93.1	Very high	90.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-116	99.3	177.3	-57.1	179.3	0	0	0	109.6	L111 L122 C140 S146 V147 L153 L178 L180	L111-L142 HydrophobicContact CD1-CD1 4.01Å; L111-L142 HydrophobicContact CD1-CG 4.04Å; L122-L142 HydrophobicContact CD2-CD1 4.07Å; L122-L142 HydrophobicContact CD2-CD2 4.19Å; C140-L142 PolarHBondContact O-N 3.39Å; C140-L142 PolarHBondContact SG-N 3.45Å; C140-L142 PolarHBondContact SG-O 3.25Å; L142-S146 WeakPolarHBondContact CA-OG 3.1Å; L142-V147 HydrophobicContact CB-CG2 4.22Å; L142-V147 HydrophobicContact CD2-CG1 4.34Å; L142-V147 HydrophobicContact CD2-CG2 4.31Å; L142-L153 HydrophobicContact CD1-CD1 4.09Å; L142-L153 HydrophobicContact CD1-CD2 3.98Å; L142-L178 HydrophobicContact CB-CD2 4.36Å; L142-L180 HydrophobicContact CB-CD1 4.49Å
143	S	92	Very high	90.4	Very high	24 Å²	24	46.2 Å²	46.2	17%	0.168	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-125.5	169.9	176.2	63.4	0	0	0	0	111.4	Y145 S146 V147	S143-Y145 PolarHBondContact O-N 2.82Å; S143-Y145 VanDerWaalsContact O-N 3.08Å; S143-Y145 PolarHBondContact OG-N 3.35Å; S143-S146 PolarHBondContact N-OG 3.32Å; S143-S146 PolarHBondContact O-N 2.84Å; S143-S146 VanDerWaalsContact O-N 3.07Å; S143-S146 PolarHBondContact O-OG 2.74Å; S143-S146 VanDerWaalsContact O-OG 3.05Å; S143-S146 PolarHBondContact OG-N 3.41Å; S143-V147 WeakPolarHBondContact O-CG2 3.33Å; S143-V147 PolarHBondContact O-N 3.43Å
144	D	93.1	Very high	91	Very high	37 Å²	37	45.9 Å²	45.9	20%	0.198	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-19.1	170.2	-78.3	-20.1	0	0	0	113.4	P148 E179 L180 K181	D144-P148 VanDerWaalsContact O-CA 3.26Å; D144-P148 WeakPolarHBondContact O-CA 3.39Å; D144-P148 WeakPolarHBondContact O-CB 3.25Å; D144-P148 WeakPolarHBondContact O-CD 3.48Å; D144-E179 PolarHBondContact N-O 3.43Å; D144-L180 WeakPolarHBondContact OD1-CA 3.17Å; D144-K181 PolarHBondContact OD1-N 2.95Å; D144-K181 WeakPolarHBondContact OD2-CB 3.41Å; D144-K181 WeakPolarHBondContact OD2-CD 3.21Å; D144-K181 WeakPolarHBondContact OD2-CE 3.44Å; D144-K181 WeakPolarHBondContact OD2-CG 3.38Å; D144-K181 PolarHBondContact OD2-N 2.91Å; D144-K181 IonicContact OD2-NZ 3.82Å
145	Y	92.9	Very high	91.8	Very high	211 Å²	211	45.5 Å²	45.5	83%	0.827	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-43.5	173.1	-63.2	-81.6	0	0	0	112.2	S143	S143-Y145 PolarHBondContact O-N 2.82Å; S143-Y145 VanDerWaalsContact O-N 3.08Å; S143-Y145 PolarHBondContact OG-N 3.35Å
146	S	94.3	Very high	92.8	Very high	6 Å²	6	41 Å²	41	4%	0.042	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-36.6	-175.7	59.1	0	0	0	0	112.8	V114 Y116 Y141 L142 S143	V114-S146 WeakPolarHBondContact O-CA 3.05Å; V114-S146 WeakPolarHBondContact O-CB 3.34Å; Y116-S146 PolarHBondContact N-O 3Å; Y141-S146 PolarHBondContact O-OG 3.38Å; L142-S146 WeakPolarHBondContact CA-OG 3.1Å; S143-S146 PolarHBondContact N-OG 3.32Å; S143-S146 PolarHBondContact O-N 2.84Å; S143-S146 VanDerWaalsContact O-N 3.07Å; S143-S146 PolarHBondContact O-OG 2.74Å; S143-S146 VanDerWaalsContact O-OG 3.05Å; S143-S146 PolarHBondContact OG-N 3.41Å
147	V	96.9	Very high	93.6	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	20%	0.198	C	C	.	.			trans	-141.4	58.2	-173.1	-67.7	0	0	0	0	111.6	L119 L142 S143 K149 L150 L180	L119-V147 HydrophobicContact CD2-CG1 4.03Å; L142-V147 HydrophobicContact CB-CG2 4.22Å; L142-V147 HydrophobicContact CD2-CG1 4.34Å; L142-V147 HydrophobicContact CD2-CG2 4.31Å; S143-V147 WeakPolarHBondContact O-CG2 3.33Å; S143-V147 PolarHBondContact O-N 3.43Å; V147-K149 PolarHBondContact O-N 2.92Å; V147-L150 HydrophobicContact CB-CB 4.02Å; V147-L150 HydrophobicContact CB-CD2 4.48Å; V147-L150 HydrophobicContact CG2-CB 4.03Å; V147-L150 HydrophobicContact CG2-CD2 3.94Å; V147-L150 WeakPolarHBondContact O-CB 3.39Å; V147-L150 PolarHBondContact O-N 3.32Å; V147-L180 HydrophobicContact CG2-CD2 3.68Å
148	P	97.2	Very high	94.3	Very high	41 Å²	41	34.3 Å²	34.3	27%	0.266	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.6	-169.5	17.4	-31.6	0	0	0	115.6	D144 N182	D144-P148 VanDerWaalsContact O-CA 3.26Å; D144-P148 WeakPolarHBondContact O-CA 3.39Å; D144-P148 WeakPolarHBondContact O-CB 3.25Å; D144-P148 WeakPolarHBondContact O-CD 3.48Å; P148-N182 PolarHBondContact O-ND2 3.11Å
149	K	98.3	Very high	95.1	Very high	111 Å²	111	35.8 Å²	35.8	48%	0.483	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	2.8	-175.2	-59.8	-167.2	-178.7	-173.2	0	114	L119 L120 V147 H151	L119-K149 CarbonylContact O-C 3.27Å; L120-K149 HydrophobicContact CD2-CB 3.79Å; V147-K149 PolarHBondContact O-N 2.92Å; K149-H151 PolarHBondContact O-N 3.24Å; K149-H151 VanDerWaalsContact O-N 3.13Å
150	L	98.5	Very high	95.7	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	16%	0.164	C	C	.	.			trans	-63.3	117.2	-174.1	-172.5	70.7	0	0	0	109.8	L119 L122 V147 L153 L180 N182 L183	L119-L150 HydrophobicContact CD2-CD1 4.18Å; L119-L150 HydrophobicContact CG-CD1 4.11Å; L119-L150 VanDerWaalsContact O-CA 3.29Å; L119-L150 WeakPolarHBondContact O-CA 3.36Å; L119-L150 PolarHBondContact O-N 2.93Å; L122-L150 HydrophobicContact CB-CD1 3.74Å; V147-L150 HydrophobicContact CB-CB 4.02Å; V147-L150 HydrophobicContact CB-CD2 4.48Å; V147-L150 HydrophobicContact CG2-CB 4.03Å; V147-L150 HydrophobicContact CG2-CD2 3.94Å; V147-L150 WeakPolarHBondContact O-CB 3.39Å; V147-L150 PolarHBondContact O-N 3.32Å; L150-L153 HydrophobicContact CD2-CB 4.28Å; L150-L153 HydrophobicContact CD2-CD1 4.42Å; L150-L153 HydrophobicContact CD2-CD2 4.49Å; L150-L180 HydrophobicContact CD2-CD1 4.13Å; L150-N182 CarbonylContact O-C 3.14Å; L150-N182 VanDerWaalsContact O-C 3.22Å; L150-L183 HydrophobicContact CD2-CD1 4.45Å; L150-L183 HydrophobicContact CG-CD1 4.29Å; L150-L183 WeakPolarHBondContact O-CA 3.38Å; L150-L183 PolarHBondContact O-N 3.05Å
151	H	98.3	Very high	95.6	Very high	58 Å²	58	37.6 Å²	37.6	27%	0.269	18%	0.178	S	C	.	.			trans	-110.1	-21.2	179.7	70.9	65.4	0	0	0	113.1	L120 K149 N182 K184 A185	L120-H151 PolarHBondContact O-CD2 2.97Å; L120-H151 PolarHBondContact O-N 3.44Å; K149-H151 PolarHBondContact O-N 3.24Å; K149-H151 VanDerWaalsContact O-N 3.13Å; H151-N182 WeakPolarHBondContact CA-O 3.48Å; H151-K184 HydrophobicContact CB-CB 4.48Å; H151-K184 HydrophobicContact CB-CD 4.38Å; H151-K184 HydrophobicContact CB-CG 4.29Å; H151-K184 WeakPolarHBondContact O-CA 3.08Å; H151-K184 PolarHBondContact O-N 2.74Å; H151-A185 PolarHBondContact O-N 3.48Å
152	T	98.8	Very high	94.9	Very high	22 Å²	22	37.1 Å²	37.1	14%	0.135	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.2	177.9	-61.6	0	0	0	0	110.6	L120 V121 L122 F123 A185 Y187	L120-T152 PolarHBondContact O-N 2.94Å; L120-T152 VanDerWaalsContact O-N 3.13Å; V121-T152 WeakPolarHBondContact CA-O 3.3Å; V121-T152 HydrophobicContact CG1-CG2 4.25Å; L122-T152 PolarHBondContact N-O 2.84Å; F123-T152 HydrophobicContact CE1-CG2 3.79Å; F123-T152 HydrophobicContact CZ-CG2 4.21Å; T152-A185 WeakPolarHBondContact CA-O 3.26Å; T152-A185 HydrophobicContact CG2-CB 4.39Å; T152-Y187 HydrophobicContact CG2-CE2 4.06Å
153	L	98.6	Very high	93.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	116.5	177.4	179.8	55.9	0	0	0	110.4	L122 L142 L150 L155 L178 L180 L183 A185 L186 Y187	L122-L153 HydrophobicContact CB-CD1 4.08Å; L122-L153 HydrophobicContact CD2-CD1 3.99Å; L122-L153 HydrophobicContact CG-CD1 4.02Å; L122-L153 WeakPolarHBondContact O-CA 3.42Å; L142-L153 HydrophobicContact CD1-CD1 4.09Å; L142-L153 HydrophobicContact CD1-CD2 3.98Å; L150-L153 HydrophobicContact CD2-CB 4.28Å; L150-L153 HydrophobicContact CD2-CD1 4.42Å; L150-L153 HydrophobicContact CD2-CD2 4.49Å; L153-L155 HydrophobicContact CD1-CD1 4.36Å; L153-L155 HydrophobicContact CD1-CD2 4.45Å; L153-L155 HydrophobicContact CD1-CG 4.09Å; L153-L155 HydrophobicContact CD2-CD1 3.76Å; L153-L155 HydrophobicContact CD2-CG 4.38Å; L153-L155 HydrophobicContact CG-CD1 3.86Å; L153-L155 HydrophobicContact CG-CG 3.95Å; L153-L178 HydrophobicContact CD2-CD1 3.97Å; L153-L178 HydrophobicContact CD2-CD2 4.41Å; L153-L180 HydrophobicContact CD2-CD1 4.26Å; L153-L183 HydrophobicContact CB-CD1 3.69Å; L153-A185 PolarHBondContact N-O 2.89Å; L153-L186 HydrophobicContact CB-CD1 4.14Å; L153-L186 HydrophobicContact CD2-CD1 4.06Å; L153-L186 HydrophobicContact CG-CD1 4.1Å; L153-Y187 PolarHBondContact O-N 2.84Å
154	G	98.6	Very high	91.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	122.2	172.7	0	0	0	0	0	111.5	L122 L124	L122-G154 PolarHBondContact O-N 2.98Å; L124-G154 CarbonylContact C-O 3.53Å; L124-G154 WeakPolarHBondContact CA-O 3.48Å; L124-G154 WeakPolarHBondContact CB-O 3.44Å; L124-G154 PolarHBondContact N-O 3.03Å
155	L	98.3	Very high	89.8	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.229	C	C	.	.			trans	-134.9	15.5	-179.4	-71.6	167.8	0	0	0	111.4	L124 D125 L129 L132 L153 N158 I160 L186 Y187 L188 N191	L124-L155 HydrophobicContact CB-CD2 4.06Å; L124-L155 HydrophobicContact CD1-CD2 4.1Å; D125-L155 PolarHBondContact OD1-N 3.26Å; L129-L155 HydrophobicContact CD1-CD2 3.69Å; L132-L155 HydrophobicContact CD1-CD1 3.78Å; L132-L155 HydrophobicContact CD2-CD1 4.16Å; L132-L155 HydrophobicContact CD2-CD2 4.1Å; L153-L155 HydrophobicContact CD1-CD1 4.36Å; L153-L155 HydrophobicContact CD1-CD2 4.45Å; L153-L155 HydrophobicContact CD1-CG 4.09Å; L153-L155 HydrophobicContact CD2-CD1 3.76Å; L153-L155 HydrophobicContact CD2-CG 4.38Å; L153-L155 HydrophobicContact CG-CD1 3.86Å; L153-L155 HydrophobicContact CG-CG 3.95Å; L155-N158 PolarHBondContact O-ND2 2.95Å; L155-I160 HydrophobicContact CB-CD1 4.13Å; L155-I160 HydrophobicContact CD1-CD1 4.25Å; L155-I160 HydrophobicContact CD2-CD1 4.36Å; L155-I160 HydrophobicContact CG-CD1 4.5Å; L155-L186 HydrophobicContact CD1-CD1 4.27Å; L155-Y187 CarbonylContact C-O 3.47Å; L155-Y187 VanDerWaalsContact CA-O 3.32Å; L155-Y187 WeakPolarHBondContact CA-O 3.38Å; L155-Y187 WeakPolarHBondContact CB-O 3.26Å; L155-Y187 PolarHBondContact N-O 2.92Å; L155-L188 HydrophobicContact CB-CD2 4.01Å; L155-L188 HydrophobicContact CD1-CD2 3.95Å; L155-N191 PolarHBondContact O-ND2 3.48Å
156	S	98.5	Very high	87.7	Confident	15 Å²	15	40.8 Å²	40.8	11%	0.105	22%	0.217	C	C	.	.			trans	-65.7	155.3	-176.5	-40.7	0	0	0	0	111.1	D125 N126 N158 Y187 G189	D125-S156 CarbonylContact C-O 3.39Å; D125-S156 WeakPolarHBondContact CA-O 3.29Å; D125-S156 WeakPolarHBondContact OD1-CB 3.49Å; D125-S156 PolarHBondContact OD1-N 2.85Å; D125-S156 PolarHBondContact OD1-OG 3.12Å; N126-S156 PolarHBondContact N-O 2.9Å; S156-N158 VanDerWaalsContact C-N 3.32Å; S156-N158 PolarHBondContact O-N 2.99Å; S156-N158 PolarHBondContact O-ND2 3.22Å; S156-Y187 PolarHBondContact N-O 3.24Å; S156-Y187 WeakPolarHBondContact OG-CB 3.23Å; S156-G189 CarbonylContact C-O 3.57Å; S156-G189 WeakPolarHBondContact CA-O 3.33Å; S156-G189 WeakPolarHBondContact CB-O 3.22Å
157	H	98.4	Very high	85.5	Confident	85 Å²	85	46.6 Å²	46.6	39%	0.394	25%	0.246	S	C	.	.	S	Bend	trans	55.1	46.3	179.7	-58.9	-86.8	0	0	0	112.7	N126 N127 G189 Y190	N126-H157 WeakPolarHBondContact CA-O 2.94Å; N126-H157 HydrophobicContact CB-CB 4.12Å; N126-H157 PolarHBondContact N-O 2.96Å; N127-H157 PolarHBondContact N-O 3.31Å; H157-G189 PolarHBondContact N-O 3Å; H157-Y190 WeakPolarHBondContact CA-O 3.16Å; H157-Y190 AromaticContact CD2-CD2 3.82Å; H157-Y190 AromaticContact CE1-CD1 3.69Å; H157-Y190 AromaticContact CE1-CD2 3.15Å; H157-Y190 WeakPolarHBondContact CE1-CD2 3.3Å; H157-Y190 AromaticContact CE1-CE2 3.56Å; H157-Y190 AromaticContact CE1-CG 3.21Å; H157-Y190 AromaticContact CE1-CZ 3.98Å; H157-Y190 PolarHBondContact N-O 2.87Å; H157-Y190 WeakPolarHBondContact ND1-CB 3.36Å; H157-Y190 AromaticContact ND1-CD2 3.81Å; H157-Y190 AromaticContact ND1-CG 3.51Å; H157-Y190 AromaticContact NE2-CD2 3.15Å; H157-Y190 WeakPolarHBondContact NE2-CD2 3.36Å; H157-Y190 AromaticContact NE2-CE2 3.48Å; H157-Y190 WeakPolarHBondContact NE2-CE2 3.3Å; H157-Y190 AromaticContact NE2-CG 3.71Å
158	N	97.6	Very high	83	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.043	29%	0.287	C	S	.	.	S	Bend	trans	-111.1	-167.3	169.1	-84.3	-83.6	0	0	0	109.1	L124 N127 Q128 L129 L155 S156 I160 N191	L124-N158 PolarHBondContact O-ND2 2.75Å; N127-N158 WeakPolarHBondContact CA-OD1 3.47Å; N127-N158 WeakPolarHBondContact CB-OD1 3.37Å; N127-N158 PolarHBondContact O-OD1 3.37Å; Q128-N158 PolarHBondContact N-OD1 3.04Å; L129-N158 HydrophobicContact CB-CB 4.2Å; L129-N158 VanDerWaalsContact CB-OD1 3.29Å; L129-N158 WeakPolarHBondContact CB-OD1 3.49Å; L129-N158 WeakPolarHBondContact CG-OD1 3.15Å; L129-N158 PolarHBondContact N-OD1 3.11Å; L155-N158 PolarHBondContact O-ND2 2.95Å; S156-N158 VanDerWaalsContact C-N 3.32Å; S156-N158 PolarHBondContact O-N 2.99Å; S156-N158 PolarHBondContact O-ND2 3.22Å; N158-I160 HydrophobicContact CB-CD1 4.3Å; N158-I160 HydrophobicContact CB-CG1 4.05Å; N158-N191 WeakPolarHBondContact CA-OD1 3.13Å; N158-N191 WeakPolarHBondContact CB-OD1 3.48Å; N158-N191 PolarHBondContact N-OD1 3.37Å; N158-N191 PolarHBondContact O-OD1 3.08Å
159	L	94.6	Very high	80.6	Confident	54 Å²	54	58.1 Å²	58.1	28%	0.283	31%	0.305	S	S	.	.			trans	-114.5	27.7	179.6	-57.8	174.5	0	0	0	110.6	Q128 L129 R130 E161	Q128-L159 HydrophobicContact CB-CD1 4.36Å; L129-L159 CarbonylContact O-C 3.6Å; L129-L159 VanDerWaalsContact O-CA 3.28Å; L129-L159 WeakPolarHBondContact O-CA 3.45Å; L129-L159 PolarHBondContact O-N 2.97Å; R130-L159 WeakPolarHBondContact CA-O 3.29Å; R130-L159 HydrophobicContact CG-CB 3.76Å; R130-L159 HydrophobicContact CG-CD1 4.46Å; L159-E161 PolarHBondContact O-N 2.72Å
160	I	93.1	Very high	77.9	Confident	5 Å²	5	58 Å²	58	3%	0.026	32%	0.318	C	S	.	.			trans	-70	124.5	-177.1	-55.2	171	0	0	0	108.1	L129 R130 L132 L155 N158 I176 L188 N191 K192 L193	L129-I160 HydrophobicContact CB-CG1 4.47Å; L129-I160 PolarHBondContact O-N 3Å; R130-I160 WeakPolarHBondContact O-CA 3.44Å; L132-I160 HydrophobicContact CD2-CD1 4.08Å; L132-I160 HydrophobicContact CG-CD1 4.4Å; L155-I160 HydrophobicContact CB-CD1 4.13Å; L155-I160 HydrophobicContact CD1-CD1 4.25Å; L155-I160 HydrophobicContact CD2-CD1 4.36Å; L155-I160 HydrophobicContact CG-CD1 4.5Å; N158-I160 HydrophobicContact CB-CD1 4.3Å; N158-I160 HydrophobicContact CB-CG1 4.05Å; I160-I176 HydrophobicContact CG2-CG1 4.4Å; I160-L188 HydrophobicContact CD1-CD2 4.37Å; I160-N191 HydrophobicContact CB-CB 4.24Å; I160-N191 VanDerWaalsContact CB-OD1 3.28Å; I160-N191 WeakPolarHBondContact CB-OD1 3.39Å; I160-N191 WeakPolarHBondContact CG1-OD1 3.33Å; I160-N191 PolarHBondContact N-OD1 2.82Å; I160-N191 WeakPolarHBondContact O-CB 3.21Å; I160-K192 CarbonylContact O-C 3.54Å; I160-K192 WeakPolarHBondContact O-CA 3.47Å; I160-K192 PolarHBondContact O-N 3.32Å; I160-L193 HydrophobicContact CG2-CD2 4.02Å
161	E	86	Confident	75.1	Confident	78 Å²	78	64 Å²	64	36%	0.364	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-130	152.9	178.5	71.1	-160.3	165.7	0	0	110.8	L159 K192	L159-E161 PolarHBondContact O-N 2.72Å; E161-K192 VanDerWaalsContact CA-O 3.29Å; E161-K192 WeakPolarHBondContact CA-O 3.34Å; E161-K192 HydrophobicContact CB-CB 3.71Å; E161-K192 HydrophobicContact CB-CD 4.37Å; E161-K192 IonicContact OE2-NZ 2.79Å
162	V	75	Confident	72.7	Confident	22 Å²	22	65.2 Å²	65.2	13%	0.133	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-88.1	118.2	170	-179.1	0	0	0	0	106.9	D164 L193 S195 L230	V162-D164 PolarHBondContact O-N 2.63Å; V162-L193 HydrophobicContact CG2-CD2 3.77Å; V162-S195 WeakPolarHBondContact CG2-O 3.36Å; V162-L230 HydrophobicContact CG1-CD1 3.6Å
163	E	66.2	Low	70.3	Confident	89 Å²	89	66.6 Å²	66.6	42%	0.416	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-62.4	135.9	177.8	-71.4	-174.3	153.5	0	0	110.3	K131 T165 N173	K131-E163 WeakPolarHBondContact CE-OE1 3.39Å; K131-E163 IonicContact NZ-OE1 3.43Å; K131-E163 PolarHBondContact NZ-OE1 3.01Å; K131-E163 IonicContact NZ-OE2 2.86Å; K131-E163 PolarHBondContact NZ-OE2 2.82Å; E163-T165 PolarHBondContact O-N 3.32Å; E163-N173 WeakPolarHBondContact OE2-CB 3.41Å
164	D	54.5	Low	68.1	Low	117 Å²	117	68.2 Å²	68.2	63%	0.626	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-53.3	121.1	-177.6	-167	-22.1	0	0	0	110.5	V162 S166	V162-D164 PolarHBondContact O-N 2.63Å; D164-S166 PolarHBondContact O-N 2.86Å; D164-S166 WeakPolarHBondContact OD1-CB 3.17Å; D164-S166 PolarHBondContact OD1-N 3.01Å; D164-S166 PolarHBondContact OD1-OG 2.79Å; D164-S166 PolarHBondContact OD2-OG 3.36Å
165	T	51.1	Low	66.3	Low	62 Å²	62	68.9 Å²	68.9	38%	0.38	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	3	-175.7	55.6	0	0	0	0	113.9	E163	E163-T165 PolarHBondContact O-N 3.32Å
166	S	49.4	Very low	65.3	Low	82 Å²	82	69.1 Å²	69.1	57%	0.573	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	8.5	-173	61.3	0	0	0	0	116.7	D164	D164-S166 PolarHBondContact O-N 2.86Å; D164-S166 WeakPolarHBondContact OD1-CB 3.17Å; D164-S166 PolarHBondContact OD1-N 3.01Å; D164-S166 PolarHBondContact OD1-OG 2.79Å; D164-S166 PolarHBondContact OD2-OG 3.36Å
167	I	48.5	Very low	64.5	Low	128 Å²	128	68.4 Å²	68.4	66%	0.656	38%	0.375	S	S	*	.			trans	-117.8	122.7	-176	-53.1	-179.7	0	0	0	113	D169	I167-D169 PolarHBondContact O-N 2.78Å
168	N	44.6	Very low	64	Low	162 Å²	162	64.4 Å²	64.4	87%	0.866	36%	0.356	S	S	*	.			trans	-59.9	82	174.1	-65.5	-34	0	0	0	112.2
169	D	45.9	Very low	63.5	Low	122 Å²	122	67.6 Å²	67.6	65%	0.652	37%	0.371	S	S	*	.			trans	-158	149.6	155.9	-133.8	-32.6	0	0	0	114.3	I167 N171	I167-D169 PolarHBondContact O-N 2.78Å; D169-N171 PolarHBondContact O-N 2.87Å
170	S	40.7	Very low	63.4	Low	107 Å²	107	65.1 Å²	65.1	75%	0.748	36%	0.358	S	S	*	.	S	Bend	trans	-65.8	7.1	-163.4	47.9	0	0	0	0	117.4
171	N	41.5	Very low	63.5	Low	128 Å²	128	70.1 Å²	70.1	68%	0.684	38%	0.379	S	S	*	.			trans	-120.9	84.4	172.4	-74	-30.9	0	0	0	108	D169 N173	D169-N171 PolarHBondContact O-N 2.87Å; N171-N173 PolarHBondContact O-N 3.37Å
172	I	47.5	Very low	64.1	Low	84 Å²	84	70 Å²	70	43%	0.431	38%	0.381	S	S	.	.			trans	-59.9	95.5	163	-44	172.2	0	0	0	104.6	I174 K200	I172-I174 HydrophobicContact CB-CD1 4.01Å; I172-I174 HydrophobicContact CB-CG1 3.74Å; I172-I174 HydrophobicContact CG2-CB 4.47Å; I172-I174 HydrophobicContact CG2-CD1 4.21Å; I172-I174 HydrophobicContact CG2-CG1 3.4Å; I172-I174 VanDerWaalsContact O-CD1 3.28Å; I172-I174 WeakPolarHBondContact O-CD1 3.28Å; I172-I174 VanDerWaalsContact O-CG1 3.29Å; I172-I174 WeakPolarHBondContact O-CG1 3.39Å; I172-I174 PolarHBondContact O-N 3.29Å; I172-K200 HydrophobicContact CD1-CD 3.56Å; I172-K200 HydrophobicContact CG1-CD 3.94Å
173	N	48.6	Very low	65.2	Low	51 Å²	51	69 Å²	69	27%	0.273	38%	0.375	S	S	.	.			trans	-72.7	78.3	170.2	-92.5	-34.6	0	0	0	104.7	E163 N171 A175	E163-N173 WeakPolarHBondContact OE2-CB 3.41Å; N171-N173 PolarHBondContact O-N 3.37Å; N173-A175 PolarHBondContact O-N 3.24Å
174	I	52.8	Low	66.7	Low	33 Å²	33	70.7 Å²	70.7	17%	0.169	38%	0.381	C	S	.	.			trans	-59.2	135.5	-169.1	-64.2	129.9	0	0	0	107.6	I172 Y225 L230	I172-I174 HydrophobicContact CB-CD1 4.01Å; I172-I174 HydrophobicContact CB-CG1 3.74Å; I172-I174 HydrophobicContact CG2-CB 4.47Å; I172-I174 HydrophobicContact CG2-CD1 4.21Å; I172-I174 HydrophobicContact CG2-CG1 3.4Å; I172-I174 VanDerWaalsContact O-CD1 3.28Å; I172-I174 WeakPolarHBondContact O-CD1 3.28Å; I172-I174 VanDerWaalsContact O-CG1 3.29Å; I172-I174 WeakPolarHBondContact O-CG1 3.39Å; I172-I174 PolarHBondContact O-N 3.29Å; I174-Y225 HydrophobicContact CB-CD2 3.98Å; I174-Y225 HydrophobicContact CB-CE2 3.45Å; I174-Y225 VanDerWaalsContact CB-CE2 3.45Å; I174-Y225 HydrophobicContact CD1-CD2 3.6Å; I174-Y225 HydrophobicContact CD1-CE2 3.38Å; I174-Y225 HydrophobicContact CG1-CD2 3.84Å; I174-Y225 HydrophobicContact CG1-CE2 3.69Å; I174-Y225 HydrophobicContact CG2-CD1 4.45Å; I174-Y225 HydrophobicContact CG2-CD2 3.48Å; I174-Y225 VanDerWaalsContact CG2-CD2 3.48Å; I174-Y225 HydrophobicContact CG2-CE1 4.25Å; I174-Y225 HydrophobicContact CG2-CE2 3.19Å; I174-Y225 HydrophobicContact CG2-CG 4.08Å; I174-L230 HydrophobicContact CG2-CD2 3.95Å
175	A	59.1	Low	68.8	Low	15 Å²	15	65.5 Å²	65.5	12%	0.124	36%	0.355	C	S	.	.	S	Bend	trans	-8.9	174.8	150.3	0	0	0	0	0	119.8	N173 G177 L230	N173-A175 PolarHBondContact O-N 3.24Å; A175-G177 VanDerWaalsContact O-CA 3.23Å; A175-G177 WeakPolarHBondContact O-CA 3.34Å; A175-G177 PolarHBondContact O-N 2.94Å; A175-L230 HydrophobicContact CB-CB 3.22Å; A175-L230 HydrophobicContact CB-CD1 4.07Å; A175-L230 HydrophobicContact CB-CD2 3.74Å; A175-L230 HydrophobicContact CB-CG 3.82Å; A175-L230 WeakPolarHBondContact CB-O 3.38Å
176	I	78.9	Confident	71.1	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.026	34%	0.337	C	S	.	.	S	Bend	trans	-29.6	-49.3	177.9	-64.7	-171.3	0	0	0	112.4	L132 I160 L178 L188 L193 F196 L230	L132-I176 HydrophobicContact CD1-CG2 4.07Å; I160-I176 HydrophobicContact CG2-CG1 4.4Å; I176-L178 HydrophobicContact CG2-CB 4.29Å; I176-L178 HydrophobicContact CG2-CD1 3.55Å; I176-L178 HydrophobicContact CG2-CG 3.55Å; I176-L178 PolarHBondContact O-N 3.44Å; I176-L188 HydrophobicContact CD1-CD1 3.46Å; I176-L188 VanDerWaalsContact CD1-CD1 3.46Å; I176-L188 HydrophobicContact CD1-CD2 3.81Å; I176-L188 HydrophobicContact CD1-CG 4.27Å; I176-L193 HydrophobicContact CD1-CD1 3.83Å; I176-L193 HydrophobicContact CD1-CD2 3.97Å; I176-L193 HydrophobicContact CG1-CD2 4.23Å; I176-F196 HydrophobicContact CD1-CD1 4.36Å; I176-F196 HydrophobicContact CD1-CE1 3.57Å; I176-F196 HydrophobicContact CD1-CZ 4.44Å; I176-F196 HydrophobicContact CG1-CE1 4.48Å; I176-L230 PolarHBondContact N-O 3.23Å
177	G	79.9	Confident	73.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.324	C	S	.	.			trans	62	24.4	156.3	0	0	0	0	0	114	A175 E179 Y225 L230 M231	A175-G177 VanDerWaalsContact O-CA 3.23Å; A175-G177 WeakPolarHBondContact O-CA 3.34Å; A175-G177 PolarHBondContact O-N 2.94Å; G177-E179 PolarHBondContact O-N 2.98Å; G177-Y225 VanDerWaalsContact CA-CE1 3.44Å; G177-Y225 VanDerWaalsContact CA-OH 3.3Å; G177-Y225 WeakPolarHBondContact CA-OH 3.45Å; G177-Y225 PolarHBondContact O-OH 3.23Å; G177-L230 PolarHBondContact N-O 2.55Å; G177-M231 PolarHBondContact N-O 3.32Å
178	L	88.2	Confident	75.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	124	-171.8	-70.5	172.1	0	0	0	110.1	L132 L142 L153 I176 L180 L183 L186 M231 G232 Y233 L234	L132-L178 HydrophobicContact CD1-CD1 4.38Å; L132-L178 HydrophobicContact CD1-CD2 4.04Å; L132-L178 HydrophobicContact CD1-CG 4.25Å; L142-L178 HydrophobicContact CB-CD2 4.36Å; L153-L178 HydrophobicContact CD2-CD1 3.97Å; L153-L178 HydrophobicContact CD2-CD2 4.41Å; I176-L178 HydrophobicContact CG2-CB 4.29Å; I176-L178 HydrophobicContact CG2-CD1 3.55Å; I176-L178 HydrophobicContact CG2-CG 3.55Å; I176-L178 PolarHBondContact O-N 3.44Å; L178-L180 HydrophobicContact CB-CD1 4.35Å; L178-L180 HydrophobicContact CB-CG 4.5Å; L178-L180 HydrophobicContact CD1-CD1 4.46Å; L178-L180 HydrophobicContact CD2-CD1 3.92Å; L178-L180 HydrophobicContact CG-CD1 4.47Å; L178-L183 HydrophobicContact CD1-CD2 4.49Å; L178-L186 HydrophobicContact CD1-CD1 4.09Å; L178-L186 HydrophobicContact CD1-CD2 3.95Å; L178-M231 PolarHBondContact N-O 3.14Å; L178-G232 WeakPolarHBondContact O-CA 3.46Å; L178-Y233 PolarHBondContact O-N 3.12Å; L178-L234 HydrophobicContact CB-CD2 3.86Å
179	E	86.7	Confident	78.3	Confident	76 Å²	76	48.7 Å²	48.7	36%	0.355	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	79.2	170.4	-67.1	-176.6	-175.2	0	0	108.7	D144 G177	D144-E179 PolarHBondContact N-O 3.43Å; G177-E179 PolarHBondContact O-N 2.98Å
180	L	94	Very high	80.7	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.236	C	C	.	.			trans	-127.8	90.7	-175.3	-65.9	173.2	0	0	0	109.6	L142 D144 V147 L150 L153 L178 N182 L183 L234	L142-L180 HydrophobicContact CB-CD1 4.49Å; D144-L180 WeakPolarHBondContact OD1-CA 3.17Å; V147-L180 HydrophobicContact CG2-CD2 3.68Å; L150-L180 HydrophobicContact CD2-CD1 4.13Å; L153-L180 HydrophobicContact CD2-CD1 4.26Å; L178-L180 HydrophobicContact CB-CD1 4.35Å; L178-L180 HydrophobicContact CB-CG 4.5Å; L178-L180 HydrophobicContact CD1-CD1 4.46Å; L178-L180 HydrophobicContact CD2-CD1 3.92Å; L178-L180 HydrophobicContact CG-CD1 4.47Å; L180-N182 PolarHBondContact O-N 3.24Å; L180-L183 HydrophobicContact CB-CB 3.78Å; L180-L183 HydrophobicContact CB-CD2 4.46Å; L180-L183 HydrophobicContact CD1-CD1 4.38Å; L180-L183 HydrophobicContact CD1-CD2 4.09Å; L180-L183 WeakPolarHBondContact O-CB 3.32Å; L180-L183 PolarHBondContact O-N 3.49Å; L180-L234 HydrophobicContact CB-CD2 3.95Å
181	K	94.9	Very high	83.4	Confident	110 Å²	110	42 Å²	42	48%	0.478	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-30.3	-174.6	-73.4	171.4	-158.7	168.5	0	112.3	D144 P235 N236	D144-K181 PolarHBondContact OD1-N 2.95Å; D144-K181 WeakPolarHBondContact OD2-CB 3.41Å; D144-K181 WeakPolarHBondContact OD2-CD 3.21Å; D144-K181 WeakPolarHBondContact OD2-CE 3.44Å; D144-K181 WeakPolarHBondContact OD2-CG 3.38Å; D144-K181 PolarHBondContact OD2-N 2.91Å; D144-K181 IonicContact OD2-NZ 3.82Å; K181-P235 HydrophobicContact CB-CG 4.28Å; K181-P235 HydrophobicContact CG-CG 4.08Å; K181-N236 VanDerWaalsContact O-CB 3.23Å; K181-N236 WeakPolarHBondContact O-CB 3.48Å; K181-N236 PolarHBondContact O-ND2 3Å
182	N	97.6	Very high	85.8	Confident	77 Å²	77	41 Å²	41	41%	0.412	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-1.6	-178.1	-74.9	-59.7	0	0	0	114.3	P148 L150 H151 L180 K184	P148-N182 PolarHBondContact O-ND2 3.11Å; L150-N182 CarbonylContact O-C 3.14Å; L150-N182 VanDerWaalsContact O-C 3.22Å; H151-N182 WeakPolarHBondContact CA-O 3.48Å; L180-N182 PolarHBondContact O-N 3.24Å; N182-K184 PolarHBondContact O-N 2.88Å
183	L	98.3	Very high	87.9	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.171	C	C	.	.			trans	-67.1	125	-178.8	-162.8	70.4	0	0	0	110.4	L150 L153 L178 L180 L186 L234 N236 L237	L150-L183 HydrophobicContact CD2-CD1 4.45Å; L150-L183 HydrophobicContact CG-CD1 4.29Å; L150-L183 WeakPolarHBondContact O-CA 3.38Å; L150-L183 PolarHBondContact O-N 3.05Å; L153-L183 HydrophobicContact CB-CD1 3.69Å; L178-L183 HydrophobicContact CD1-CD2 4.49Å; L180-L183 HydrophobicContact CB-CB 3.78Å; L180-L183 HydrophobicContact CB-CD2 4.46Å; L180-L183 HydrophobicContact CD1-CD1 4.38Å; L180-L183 HydrophobicContact CD1-CD2 4.09Å; L180-L183 WeakPolarHBondContact O-CB 3.32Å; L180-L183 PolarHBondContact O-N 3.49Å; L183-L186 HydrophobicContact CD2-CB 4.02Å; L183-L186 HydrophobicContact CD2-CD1 4.29Å; L183-L186 HydrophobicContact CD2-CD2 4.27Å; L183-L186 HydrophobicContact CD2-CG 4.43Å; L183-L234 HydrophobicContact CB-CD2 4.31Å; L183-L234 HydrophobicContact CD2-CD1 4.38Å; L183-L234 HydrophobicContact CD2-CD2 3.95Å; L183-N236 CarbonylContact O-C 3.39Å; L183-L237 HydrophobicContact CD2-CD1 4.03Å; L183-L237 HydrophobicContact CG-CD1 4.01Å; L183-L237 VanDerWaalsContact O-CA 3.3Å; L183-L237 WeakPolarHBondContact O-CA 3.44Å; L183-L237 PolarHBondContact O-N 2.94Å; L183-L237 VanDerWaalsContact O-N 3.08Å
184	K	98.6	Very high	89.8	Confident	124 Å²	124	38.8 Å²	38.8	54%	0.539	18%	0.18	S	C	.	.			trans	-109.7	-33.1	179.6	-66.1	-177.3	-179.6	-179.1	0	112.6	H151 N182 S238 V239	H151-K184 HydrophobicContact CB-CB 4.48Å; H151-K184 HydrophobicContact CB-CD 4.38Å; H151-K184 HydrophobicContact CB-CG 4.29Å; H151-K184 WeakPolarHBondContact O-CA 3.08Å; H151-K184 PolarHBondContact O-N 2.74Å; N182-K184 PolarHBondContact O-N 2.88Å; K184-S238 PolarHBondContact O-N 3.22Å; K184-V239 PolarHBondContact O-N 2.92Å
185	A	98.7	Very high	91.6	Very high	9 Å²	9	37.5 Å²	37.5	7%	0.074	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127	-179.3	0	0	0	0	0	111.5	H151 T152 L153 Y187 V239	H151-A185 PolarHBondContact O-N 3.48Å; T152-A185 WeakPolarHBondContact CA-O 3.26Å; T152-A185 HydrophobicContact CG2-CB 4.39Å; L153-A185 PolarHBondContact N-O 2.89Å; A185-Y187 HydrophobicContact CB-CE2 3.91Å; A185-V239 WeakPolarHBondContact CA-O 3.49Å; A185-V239 HydrophobicContact CB-CB 4.07Å
186	L	98.4	Very high	93.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	119.9	179.8	179	55.8	0	0	0	110	L153 L155 L178 L183 L188 L234 L237 V239 L240 H241	L153-L186 HydrophobicContact CB-CD1 4.14Å; L153-L186 HydrophobicContact CD2-CD1 4.06Å; L153-L186 HydrophobicContact CG-CD1 4.1Å; L155-L186 HydrophobicContact CD1-CD1 4.27Å; L178-L186 HydrophobicContact CD1-CD1 4.09Å; L178-L186 HydrophobicContact CD1-CD2 3.95Å; L183-L186 HydrophobicContact CD2-CB 4.02Å; L183-L186 HydrophobicContact CD2-CD1 4.29Å; L183-L186 HydrophobicContact CD2-CD2 4.27Å; L183-L186 HydrophobicContact CD2-CG 4.43Å; L186-L188 HydrophobicContact CD1-CD1 4.32Å; L186-L188 HydrophobicContact CD1-CD2 4.3Å; L186-L188 HydrophobicContact CD1-CG 4Å; L186-L188 HydrophobicContact CD2-CD1 3.7Å; L186-L188 HydrophobicContact CD2-CG 4.29Å; L186-L188 HydrophobicContact CG-CD1 3.78Å; L186-L188 HydrophobicContact CG-CG 3.86Å; L186-L234 HydrophobicContact CD2-CD1 3.88Å; L186-L237 HydrophobicContact CB-CD1 3.62Å; L186-L237 HydrophobicContact CB-CD2 4.28Å; L186-V239 PolarHBondContact N-O 3.41Å; L186-L240 HydrophobicContact CB-CD1 4.28Å; L186-L240 HydrophobicContact CD2-CD1 4.18Å; L186-L240 HydrophobicContact CG-CD1 4.25Å; L186-H241 PolarHBondContact O-N 3.34Å
187	Y	98.5	Very high	93.3	Very high	81 Å²	81	36.6 Å²	36.6	32%	0.318	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.5	178.3	-54.2	-94.8	0	0	0	109.9	T152 L153 L155 S156 A185 H241	T152-Y187 HydrophobicContact CG2-CE2 4.06Å; L153-Y187 PolarHBondContact O-N 2.84Å; L155-Y187 CarbonylContact C-O 3.47Å; L155-Y187 VanDerWaalsContact CA-O 3.32Å; L155-Y187 WeakPolarHBondContact CA-O 3.38Å; L155-Y187 WeakPolarHBondContact CB-O 3.26Å; L155-Y187 PolarHBondContact N-O 2.92Å; S156-Y187 PolarHBondContact N-O 3.24Å; S156-Y187 WeakPolarHBondContact OG-CB 3.23Å; A185-Y187 HydrophobicContact CB-CE2 3.91Å; Y187-H241 HydrophobicContact CD1-CB 3.72Å; Y187-H241 HydrophobicContact CE1-CB 4.32Å; Y187-H241 HydrophobicContact CG-CB 4.47Å
188	L	97.4	Very high	93.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.17	C	C	.	.			trans	-127.8	11.9	-174.6	-72	166	0	0	0	112.3	L155 I160 I176 L186 N191 L193 L240 H241 I242 S245	L155-L188 HydrophobicContact CB-CD2 4.01Å; L155-L188 HydrophobicContact CD1-CD2 3.95Å; I160-L188 HydrophobicContact CD1-CD2 4.37Å; I176-L188 HydrophobicContact CD1-CD1 3.46Å; I176-L188 VanDerWaalsContact CD1-CD1 3.46Å; I176-L188 HydrophobicContact CD1-CD2 3.81Å; I176-L188 HydrophobicContact CD1-CG 4.27Å; L186-L188 HydrophobicContact CD1-CD1 4.32Å; L186-L188 HydrophobicContact CD1-CD2 4.3Å; L186-L188 HydrophobicContact CD1-CG 4Å; L186-L188 HydrophobicContact CD2-CD1 3.7Å; L186-L188 HydrophobicContact CD2-CG 4.29Å; L186-L188 HydrophobicContact CG-CD1 3.78Å; L186-L188 HydrophobicContact CG-CG 3.86Å; L188-N191 PolarHBondContact O-ND2 3.35Å; L188-L193 HydrophobicContact CB-CD1 3.97Å; L188-L193 HydrophobicContact CD1-CD1 4.27Å; L188-L193 HydrophobicContact CD2-CD1 4.35Å; L188-L193 HydrophobicContact CG-CD1 4.44Å; L188-L240 HydrophobicContact CD1-CD1 4.22Å; L188-H241 CarbonylContact C-O 3.23Å; L188-H241 WeakPolarHBondContact CA-O 3.23Å; L188-H241 PolarHBondContact N-O 3.2Å; L188-I242 HydrophobicContact CB-CG1 4.24Å; L188-I242 HydrophobicContact CB-CG2 4.37Å; L188-I242 HydrophobicContact CD1-CG1 4.43Å; L188-S245 PolarHBondContact O-OG 3.36Å; L188-S245 VanDerWaalsContact O-OG 3.07Å
189	G	97.5	Very high	92.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.182	C	C	.	.			trans	-61.8	154.1	-177.6	0	0	0	0	0	112.4	S156 H157 N191 H241 R243	S156-G189 CarbonylContact C-O 3.57Å; S156-G189 WeakPolarHBondContact CA-O 3.33Å; S156-G189 WeakPolarHBondContact CB-O 3.22Å; H157-G189 PolarHBondContact N-O 3Å; G189-N191 VanDerWaalsContact C-N 3.29Å; G189-N191 PolarHBondContact O-N 3.37Å; G189-N191 PolarHBondContact O-ND2 2.72Å; G189-H241 PolarHBondContact N-O 3.31Å; G189-R243 CarbonylContact C-O 3.55Å; G189-R243 WeakPolarHBondContact CA-O 3.27Å
190	Y	98	Very high	91.5	Very high	80 Å²	80	40.5 Å²	40.5	31%	0.314	18%	0.182	S	C	.	.	S	Bend	trans	56.9	43.1	179.6	-52.9	-88.5	0	0	0	112.8	H157 R243 S244 S245	H157-Y190 WeakPolarHBondContact CA-O 3.16Å; H157-Y190 AromaticContact CD2-CD2 3.82Å; H157-Y190 AromaticContact CE1-CD1 3.69Å; H157-Y190 AromaticContact CE1-CD2 3.15Å; H157-Y190 WeakPolarHBondContact CE1-CD2 3.3Å; H157-Y190 AromaticContact CE1-CE2 3.56Å; H157-Y190 AromaticContact CE1-CG 3.21Å; H157-Y190 AromaticContact CE1-CZ 3.98Å; H157-Y190 PolarHBondContact N-O 2.87Å; H157-Y190 WeakPolarHBondContact ND1-CB 3.36Å; H157-Y190 AromaticContact ND1-CD2 3.81Å; H157-Y190 AromaticContact ND1-CG 3.51Å; H157-Y190 AromaticContact NE2-CD2 3.15Å; H157-Y190 WeakPolarHBondContact NE2-CD2 3.36Å; H157-Y190 AromaticContact NE2-CE2 3.48Å; H157-Y190 WeakPolarHBondContact NE2-CE2 3.3Å; H157-Y190 AromaticContact NE2-CG 3.71Å; Y190-R243 HydrophobicContact CE2-CG 4.49Å; Y190-R243 PolarHBondContact N-O 2.92Å; Y190-R243 PolarHBondContact OH-NE 2.93Å; Y190-S244 WeakPolarHBondContact CA-O 3.38Å; Y190-S244 VanDerWaalsContact CD1-CB 3.49Å; Y190-S244 WeakPolarHBondContact CD1-OG 3.47Å; Y190-S244 VanDerWaalsContact CE1-CB 3.46Å; Y190-S245 PolarHBondContact N-OG 3Å
191	N	95.8	Very high	89.7	Confident	9 Å²	9	43.2 Å²	43.2	5%	0.048	20%	0.197	C	C	.	.	S	Bend	trans	-110.1	-159.7	165.8	-80.2	-77.2	0	0	0	108.9	L155 N158 I160 L188 G189 L193 S245	L155-N191 PolarHBondContact O-ND2 3.48Å; N158-N191 WeakPolarHBondContact CA-OD1 3.13Å; N158-N191 WeakPolarHBondContact CB-OD1 3.48Å; N158-N191 PolarHBondContact N-OD1 3.37Å; N158-N191 PolarHBondContact O-OD1 3.08Å; I160-N191 HydrophobicContact CB-CB 4.24Å; I160-N191 VanDerWaalsContact CB-OD1 3.28Å; I160-N191 WeakPolarHBondContact CB-OD1 3.39Å; I160-N191 WeakPolarHBondContact CG1-OD1 3.33Å; I160-N191 PolarHBondContact N-OD1 2.82Å; I160-N191 WeakPolarHBondContact O-CB 3.21Å; L188-N191 PolarHBondContact O-ND2 3.35Å; G189-N191 VanDerWaalsContact C-N 3.29Å; G189-N191 PolarHBondContact O-N 3.37Å; G189-N191 PolarHBondContact O-ND2 2.72Å; N191-L193 HydrophobicContact CB-CD1 4.05Å; N191-L193 HydrophobicContact CB-CG 4.03Å; N191-S245 PolarHBondContact N-OG 3.27Å; N191-S245 VanDerWaalsContact O-CA 3.31Å; N191-S245 WeakPolarHBondContact O-CA 3.03Å
192	K	92.1	Very high	87.8	Confident	105 Å²	105	43.4 Å²	43.4	46%	0.457	20%	0.197	S	C	.	.	B	Isolated β-bridge	trans	-124.3	57.1	178.5	-62	-179.5	179.7	-173.2	0	110.8	I160 E161 S245	I160-K192 CarbonylContact O-C 3.54Å; I160-K192 WeakPolarHBondContact O-CA 3.47Å; I160-K192 PolarHBondContact O-N 3.32Å; E161-K192 VanDerWaalsContact CA-O 3.29Å; E161-K192 WeakPolarHBondContact CA-O 3.34Å; E161-K192 HydrophobicContact CB-CB 3.71Å; E161-K192 HydrophobicContact CB-CD 4.37Å; E161-K192 IonicContact OE2-NZ 2.79Å; K192-S245 CarbonylContact C-O 3.34Å; K192-S245 WeakPolarHBondContact CA-O 3.41Å
193	L	91.5	Very high	85.6	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.			trans	-103.3	98	-173.3	-58.6	168.5	0	0	0	109.3	I160 V162 I176 L188 N191 F196 I242 S245 L247	I160-L193 HydrophobicContact CG2-CD2 4.02Å; V162-L193 HydrophobicContact CG2-CD2 3.77Å; I176-L193 HydrophobicContact CD1-CD1 3.83Å; I176-L193 HydrophobicContact CD1-CD2 3.97Å; I176-L193 HydrophobicContact CG1-CD2 4.23Å; L188-L193 HydrophobicContact CB-CD1 3.97Å; L188-L193 HydrophobicContact CD1-CD1 4.27Å; L188-L193 HydrophobicContact CD2-CD1 4.35Å; L188-L193 HydrophobicContact CG-CD1 4.44Å; N191-L193 HydrophobicContact CB-CD1 4.05Å; N191-L193 HydrophobicContact CB-CG 4.03Å; L193-F196 HydrophobicContact CB-CE1 4.33Å; L193-F196 HydrophobicContact CB-CZ 4.15Å; L193-F196 HydrophobicContact CD1-CE1 4.11Å; L193-F196 HydrophobicContact CD1-CZ 4.01Å; L193-F196 HydrophobicContact CD2-CE1 4.35Å; L193-F196 HydrophobicContact CG-CE1 4.5Å; L193-I242 HydrophobicContact CD1-CG2 4.13Å; L193-S245 CarbonylContact C-O 3.54Å; L193-S245 PolarHBondContact N-O 2.99Å; L193-L247 WeakPolarHBondContact O-CA 3.38Å; L193-L247 PolarHBondContact O-N 3.31Å
194	I	89.4	Confident	83	Confident	89 Å²	89	46.6 Å²	46.6	46%	0.456	23%	0.231	S	C	.	.			trans	-82.9	-26.2	-176.6	62.4	170.7	0	0	0	113.8	L247 I248	I194-L247 WeakPolarHBondContact O-CA 3.46Å; I194-I248 VanDerWaalsContact O-CG1 3.24Å; I194-I248 WeakPolarHBondContact O-CG1 3.14Å; I194-I248 PolarHBondContact O-N 3.1Å
195	S	90.2	Very high	80.1	Confident	7 Å²	7	49 Å²	49	5%	0.049	25%	0.25	C	C	.	.			trans	-165.2	158.6	177.6	-179.8	0	0	0	0	110.3	V162 G197 Y199 N249	V162-S195 WeakPolarHBondContact CG2-O 3.36Å; S195-G197 PolarHBondContact OG-N 3.13Å; S195-Y199 PolarHBondContact OG-OH 3.01Å; S195-N249 WeakPolarHBondContact CB-OD1 3.46Å; S195-N249 PolarHBondContact OG-OD1 3.24Å
196	F	89.7	Confident	77.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.27	C	S	.	.			trans	-108.4	8.8	164.6	-52.6	-76	0	0	0	112.7	I176 L193 N198 S229 L230 M231 I242 L247 D251 G252 I253	I176-F196 HydrophobicContact CD1-CD1 4.36Å; I176-F196 HydrophobicContact CD1-CE1 3.57Å; I176-F196 HydrophobicContact CD1-CZ 4.44Å; I176-F196 HydrophobicContact CG1-CE1 4.48Å; L193-F196 HydrophobicContact CB-CE1 4.33Å; L193-F196 HydrophobicContact CB-CZ 4.15Å; L193-F196 HydrophobicContact CD1-CE1 4.11Å; L193-F196 HydrophobicContact CD1-CZ 4.01Å; L193-F196 HydrophobicContact CD2-CE1 4.35Å; L193-F196 HydrophobicContact CG-CE1 4.5Å; F196-N198 PolarHBondContact O-N 2.86Å; F196-S229 CarbonylContact O-C 3.53Å; F196-S229 WeakPolarHBondContact O-CA 3.3Å; F196-L230 HydrophobicContact CB-CB 4.42Å; F196-L230 VanDerWaalsContact O-CB 3.29Å; F196-L230 WeakPolarHBondContact O-CB 3.37Å; F196-L230 PolarHBondContact O-N 3.14Å; F196-M231 HydrophobicContact CD1-CB 4.28Å; F196-M231 HydrophobicContact CD1-CE 3.73Å; F196-M231 HydrophobicContact CD2-CE 3.69Å; F196-M231 HydrophobicContact CE1-CE 3.64Å; F196-M231 HydrophobicContact CE2-CE 3.6Å; F196-M231 HydrophobicContact CG-CB 4.48Å; F196-M231 HydrophobicContact CG-CE 3.75Å; F196-M231 HydrophobicContact CZ-CE 3.56Å; F196-I242 HydrophobicContact CE2-CD1 3.45Å; F196-I242 VanDerWaalsContact CE2-CD1 3.45Å; F196-I242 HydrophobicContact CZ-CD1 3.61Å; F196-I242 HydrophobicContact CZ-CG2 4.28Å; F196-L247 HydrophobicContact CD2-CD1 4.21Å; F196-L247 HydrophobicContact CE2-CD1 3.86Å; F196-D251 CarbonylContact C-O 3.55Å; F196-D251 VanDerWaalsContact CA-O 3.32Å; F196-D251 WeakPolarHBondContact CA-O 3.47Å; F196-D251 WeakPolarHBondContact CB-O 3.42Å; F196-D251 PolarHBondContact N-O 3.23Å; F196-D251 VanDerWaalsContact N-O 3.15Å; F196-G252 WeakPolarHBondContact O-CA 3.48Å; F196-I253 HydrophobicContact CD2-CG1 4.19Å
197	G	84.7	Confident	74.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-66	129.6	179.3	0	0	0	0	0	112	S195 Y199 L230 D251	S195-G197 PolarHBondContact OG-N 3.13Å; G197-Y199 VanDerWaalsContact O-CD2 3.25Å; G197-Y199 WeakPolarHBondContact O-CD2 3.14Å; G197-Y199 WeakPolarHBondContact O-CE2 3.06Å; G197-Y199 PolarHBondContact O-N 2.93Å; G197-L230 VanDerWaalsContact O-CD1 3.31Å; G197-L230 WeakPolarHBondContact O-CD1 3.45Å; G197-D251 PolarHBondContact N-O 3.02Å; G197-D251 VanDerWaalsContact N-O 3.11Å
198	N	78.4	Confident	71.4	Confident	14 Å²	14	62.2 Å²	62.2	8%	0.075	32%	0.322	C	S	.	.			trans	-86.3	88	167.3	-171.6	-8.4	0	0	0	110.1	F196 K200 L201 N228 L230	F196-N198 PolarHBondContact O-N 2.86Å; N198-K200 VanDerWaalsContact C-N 3.29Å; N198-K200 PolarHBondContact O-N 2.82Å; N198-K200 PolarHBondContact OD1-N 2.79Å; N198-L201 HydrophobicContact CB-CD1 4.17Å; N198-L201 VanDerWaalsContact ND2-CD1 3.3Å; N198-L201 WeakPolarHBondContact ND2-CD1 3.47Å; N198-L201 PolarHBondContact O-N 2.91Å; N198-N228 PolarHBondContact N-O 3.39Å; N198-L230 HydrophobicContact CB-CD2 4.15Å; N198-L230 HydrophobicContact CB-CG 4.28Å
199	Y	72	Confident	68.1	Low	62 Å²	62	64.9 Å²	64.9	24%	0.243	34%	0.341	C	S	.	.	H	α-helix	trans	-73.1	-16.2	-174.6	-61	-74.1	0	0	0	114.7	S195 G197 L201 K202 S203 N249 D251	S195-Y199 PolarHBondContact OG-OH 3.01Å; G197-Y199 VanDerWaalsContact O-CD2 3.25Å; G197-Y199 WeakPolarHBondContact O-CD2 3.14Å; G197-Y199 WeakPolarHBondContact O-CE2 3.06Å; G197-Y199 PolarHBondContact O-N 2.93Å; Y199-L201 VanDerWaalsContact C-N 3.3Å; Y199-K202 HydrophobicContact CD1-CD 3.98Å; Y199-K202 HydrophobicContact CE1-CD 4.33Å; Y199-K202 PolarHBondContact O-N 3.01Å; Y199-S203 PolarHBondContact O-N 2.99Å; Y199-S203 PolarHBondContact O-OG 3.09Å; Y199-N249 PolarHBondContact OH-ND2 2.95Å; Y199-N249 PolarHBondContact OH-OD1 2.89Å; Y199-D251 WeakPolarHBondContact CE1-OD2 2.98Å; Y199-D251 PolarHBondContact OH-OD2 3.23Å
200	K	65.8	Low	65.4	Low	83 Å²	83	69.9 Å²	69.9	36%	0.361	37%	0.373	S	S	.	.	H	α-helix	trans	-65.4	-36.5	172.6	-68.5	-170.7	176.4	-166.7	0	111.1	I172 N198	I172-K200 HydrophobicContact CD1-CD 3.56Å; I172-K200 HydrophobicContact CG1-CD 3.94Å; N198-K200 VanDerWaalsContact C-N 3.29Å; N198-K200 PolarHBondContact O-N 2.82Å; N198-K200 PolarHBondContact OD1-N 2.79Å
201	L	55.9	Low	62.3	Low	58 Å²	58	73.3 Å²	73.3	30%	0.304	40%	0.396	S	S	.	.	H	α-helix	trans	-71.7	-28.8	175.1	-69.3	171.8	0	0	0	113	N198 Y199 Y225 N228	N198-L201 HydrophobicContact CB-CD1 4.17Å; N198-L201 VanDerWaalsContact ND2-CD1 3.3Å; N198-L201 WeakPolarHBondContact ND2-CD1 3.47Å; N198-L201 PolarHBondContact O-N 2.91Å; Y199-L201 VanDerWaalsContact C-N 3.3Å; L201-Y225 VanDerWaalsContact CD1-O 3.3Å; L201-Y225 WeakPolarHBondContact CD1-O 3.44Å; L201-N228 VanDerWaalsContact CB-OD1 3.26Å; L201-N228 WeakPolarHBondContact CB-OD1 3.04Å; L201-N228 WeakPolarHBondContact CD1-OD1 3.34Å
202	K	54.5	Low	59.2	Low	114 Å²	114	79.4 Å²	79.4	50%	0.496	43%	0.425	S	S	.	.	H	α-helix	trans	-73.3	-25.4	178.3	-70.9	-172.6	178.6	179.9	0	113.6	Y199 D251	Y199-K202 HydrophobicContact CD1-CD 3.98Å; Y199-K202 HydrophobicContact CE1-CD 4.33Å; Y199-K202 PolarHBondContact O-N 3.01Å; K202-D251 VanDerWaalsContact NZ-CG 3.27Å; K202-D251 IonicContact NZ-OD1 3.06Å; K202-D251 PolarHBondContact NZ-OD1 2.96Å; K202-D251 IonicContact NZ-OD2 2.8Å; K202-D251 PolarHBondContact NZ-OD2 2.96Å
203	S	51.8	Low	56.4	Low	108 Å²	108	79.3 Å²	79.3	76%	0.755	43%	0.429	S	S	*	.	H	α-helix	trans	-94.9	-15.6	-174	-54.6	0	0	0	0	114.1	Y199	Y199-S203 PolarHBondContact O-N 2.99Å; Y199-S203 PolarHBondContact O-OG 3.09Å
204	G	43.2	Very low	53.4	Low	36 Å²	36	88 Å²	88	37%	0.371	47%	0.466	S	S	.	.	S	Bend	trans	-88.7	132.6	171.5	0	0	0	0	0	110.5	V206	G204-V206 PolarHBondContact O-N 3.16Å
205	N	38.3	Very low	50.6	Low	173 Å²	173	93.5 Å²	93.5	93%	0.925	48%	0.483	S	S	*	.			trans	-64.4	52.5	164.8	-81.9	-21	0	0	0	111.5	Q207	N205-Q207 VanDerWaalsContact C-N 3.34Å; N205-Q207 PolarHBondContact O-N 2.98Å
206	V	41.9	Very low	47.6	Very low	84 Å²	84	100.2 Å²	100.2	51%	0.509	52%	0.518	S	S	.	.			trans	-80.4	91.3	176.5	-168.9	0	0	0	0	106.5	G204 N208	G204-V206 PolarHBondContact O-N 3.16Å; V206-N208 HydrophobicContact CG1-CB 3.64Å; V206-N208 PolarHBondContact O-N 3.14Å
207	Q	35.6	Very low	44.9	Very low	189 Å²	189	105.8 Å²	105.8	88%	0.883	55%	0.552	S	S	*	*			trans	-60.8	20.4	164.2	-78.9	-170.3	-20	0	0	113.4	N205 S209	N205-Q207 VanDerWaalsContact C-N 3.34Å; N205-Q207 PolarHBondContact O-N 2.98Å; Q207-S209 PolarHBondContact O-N 3.45Å
208	N	35.6	Very low	42.3	Very low	96 Å²	96	112.6 Å²	112.6	51%	0.513	59%	0.589	S	S	.	*			trans	-87.3	98.2	169.8	-59.9	-17.7	0	0	0	106.5	V206	V206-N208 HydrophobicContact CG1-CB 3.64Å; V206-N208 PolarHBondContact O-N 3.14Å
209	S	28.9	Very low	40.2	Very low	56 Å²	56	119.6 Å²	119.6	39%	0.392	63%	0.626	S	S	.	*			trans	-42.1	147.8	166.2	63.4	0	0	0	0	110.9	Q207 N211 E212	Q207-S209 PolarHBondContact O-N 3.45Å; S209-N211 PolarHBondContact O-N 3.12Å; S209-E212 PolarHBondContact O-N 3.01Å
210	P	39.6	Very low	38.3	Very low	105 Å²	105	125.7 Å²	125.7	68%	0.682	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	-5.6	-180	-24.4	33.6	0	0	0	115.2
211	N	33.4	Very low	37	Very low	151 Å²	151	131.6 Å²	131.6	81%	0.807	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	-0.8	-171.1	-77	-18.2	0	0	0	115.2	S209	S209-N211 PolarHBondContact O-N 3.12Å
212	E	30.4	Very low	36.4	Very low	138 Å²	138	137.3 Å²	137.3	65%	0.645	71%	0.708	S	S	*	*			trans	-111	0.1	-171.5	-77	-166.9	155.8	0	0	117.4	S209 K214	S209-E212 PolarHBondContact O-N 3.01Å; E212-K214 PolarHBondContact O-N 3.26Å
213	L	33.8	Very low	36.3	Very low	102 Å²	102	135.8 Å²	135.8	53%	0.534	70%	0.702	S	S	.	*			trans	-81.9	74.5	170.2	-75	157.2	0	0	0	110	Y215 N226	L213-Y215 PolarHBondContact O-N 2.86Å; L213-N226 WeakPolarHBondContact CB-ND2 3.24Å; L213-N226 HydrophobicContact CD1-CB 4.34Å; L213-N226 VanDerWaalsContact CD1-CG 3.46Å; L213-N226 WeakPolarHBondContact CD1-ND2 3.28Å; L213-N226 WeakPolarHBondContact CD1-OD1 3.3Å
214	K	27.8	Very low	36.2	Very low	183 Å²	183	133.5 Å²	133.5	80%	0.796	69%	0.686	S	S	*	*			trans	-50	131.1	165.2	-76.5	178.3	177.8	173.4	0	108.8	E212 N216	E212-K214 PolarHBondContact O-N 3.26Å; K214-N216 VanDerWaalsContact C-N 3.29Å; K214-N216 PolarHBondContact O-N 3.16Å
215	Y	30.7	Very low	36.8	Very low	205 Å²	205	132.4 Å²	132.4	80%	0.804	67%	0.671	S	S	*	*			trans	-51.8	92.2	165.9	-73.3	-96.7	0	0	0	109.4	L213 T217	L213-Y215 PolarHBondContact O-N 2.86Å; Y215-T217 VanDerWaalsContact C-N 3.26Å; Y215-T217 PolarHBondContact O-N 3.48Å
216	N	27.7	Very low	37.9	Very low	147 Å²	147	126.6 Å²	126.6	79%	0.786	64%	0.64	S	S	*	*			trans	-76.1	90.4	162.6	-89.3	-5.2	0	0	0	106.9	K214 D218	K214-N216 VanDerWaalsContact C-N 3.29Å; K214-N216 PolarHBondContact O-N 3.16Å; N216-D218 PolarHBondContact O-N 2.7Å
217	T	32.5	Very low	39	Very low	117 Å²	117	125.3 Å²	125.3	72%	0.718	63%	0.628	S	S	*	*	S	Bend	trans	-60	97.2	151.9	49.1	0	0	0	0	106.1	Y215	Y215-T217 VanDerWaalsContact C-N 3.26Å; Y215-T217 PolarHBondContact O-N 3.48Å
218	D	31.6	Very low	40.8	Very low	144 Å²	144	119.6 Å²	119.6	77%	0.77	60%	0.604	S	S	*	*	S	Bend	trans	140.9	64.1	165.7	-69.2	-18	0	0	0	109.8	N216	N216-D218 PolarHBondContact O-N 2.7Å
219	N	33.4	Very low	43.2	Very low	160 Å²	160	115 Å²	115	86%	0.856	58%	0.58	S	S	*	*			trans	178.2	110.6	143	-88.8	-27.8	0	0	0	109.2	K221	N219-K221 PolarHBondContact O-N 2.8Å
220	Q	32.8	Very low	45.9	Very low	191 Å²	191	112.8 Å²	112.8	89%	0.893	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	111.6	173	-62.4	177.4	-8.2	0	0	108.7
221	K	38.7	Very low	48.1	Very low	207 Å²	207	107.8 Å²	107.8	90%	0.9	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	167.2	7.5	143.8	-93.9	171.3	-178.6	-173.2	0	118.8	N219	N219-K221 PolarHBondContact O-N 2.8Å
222	E	42.4	Very low	50.7	Low	178 Å²	178	100.7 Å²	100.7	83%	0.832	49%	0.493	S	S	*	.			trans	-122.1	96	174.1	-71.1	-175.5	173.3	0	0	111.7	S224	E222-S224 PolarHBondContact O-N 3.43Å
223	Q	51.4	Low	53.5	Low	81 Å²	81	97.5 Å²	97.5	38%	0.379	48%	0.476	S	S	.	.			trans	-70.6	76.7	155.8	-86.1	178.5	-19.5	0	0	107.7	Y225	Q223-Y225 HydrophobicContact CB-CE2 4.3Å; Q223-Y225 WeakPolarHBondContact O-CD2 3.34Å; Q223-Y225 PolarHBondContact O-N 2.99Å
224	S	51.3	Low	56.4	Low	60 Å²	60	92.7 Å²	92.7	42%	0.42	45%	0.45	S	S	.	.			trans	-80.7	106.5	178.1	-176.6	0	0	0	0	108.6	E222 N226	E222-S224 PolarHBondContact O-N 3.43Å; S224-N226 VanDerWaalsContact CB-OD1 3.26Å; S224-N226 WeakPolarHBondContact CB-OD1 3.29Å; S224-N226 VanDerWaalsContact O-CG 3.27Å; S224-N226 PolarHBondContact O-N 2.99Å; S224-N226 PolarHBondContact O-OD1 2.69Å; S224-N226 VanDerWaalsContact O-OD1 3.14Å; S224-N226 PolarHBondContact OG-OD1 2.95Å
225	Y	56	Low	59.6	Low	13 Å²	13	84.7 Å²	84.7	5%	0.051	42%	0.417	C	S	.	.			trans	-72.2	80.2	175.4	-66	-89.3	0	0	0	110.2	I174 G177 L201 Q223 H227	I174-Y225 HydrophobicContact CB-CD2 3.98Å; I174-Y225 HydrophobicContact CB-CE2 3.45Å; I174-Y225 VanDerWaalsContact CB-CE2 3.45Å; I174-Y225 HydrophobicContact CD1-CD2 3.6Å; I174-Y225 HydrophobicContact CD1-CE2 3.38Å; I174-Y225 HydrophobicContact CG1-CD2 3.84Å; I174-Y225 HydrophobicContact CG1-CE2 3.69Å; I174-Y225 HydrophobicContact CG2-CD1 4.45Å; I174-Y225 HydrophobicContact CG2-CD2 3.48Å; I174-Y225 VanDerWaalsContact CG2-CD2 3.48Å; I174-Y225 HydrophobicContact CG2-CE1 4.25Å; I174-Y225 HydrophobicContact CG2-CE2 3.19Å; I174-Y225 HydrophobicContact CG2-CG 4.08Å; G177-Y225 VanDerWaalsContact CA-CE1 3.44Å; G177-Y225 VanDerWaalsContact CA-OH 3.3Å; G177-Y225 WeakPolarHBondContact CA-OH 3.45Å; G177-Y225 PolarHBondContact O-OH 3.23Å; L201-Y225 VanDerWaalsContact CD1-O 3.3Å; L201-Y225 WeakPolarHBondContact CD1-O 3.44Å; Q223-Y225 HydrophobicContact CB-CE2 4.3Å; Q223-Y225 WeakPolarHBondContact O-CD2 3.34Å; Q223-Y225 PolarHBondContact O-N 2.99Å; Y225-H227 PolarHBondContact O-N 2.87Å; Y225-H227 VanDerWaalsContact O-N 3.12Å
226	N	60.3	Low	62.8	Low	51 Å²	51	76.7 Å²	76.7	27%	0.273	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-3.3	-172.4	-64.8	-19.2	0	0	0	114.9	L213 S224	L213-N226 WeakPolarHBondContact CB-ND2 3.24Å; L213-N226 HydrophobicContact CD1-CB 4.34Å; L213-N226 VanDerWaalsContact CD1-CG 3.46Å; L213-N226 WeakPolarHBondContact CD1-ND2 3.28Å; L213-N226 WeakPolarHBondContact CD1-OD1 3.3Å; S224-N226 VanDerWaalsContact CB-OD1 3.26Å; S224-N226 WeakPolarHBondContact CB-OD1 3.29Å; S224-N226 VanDerWaalsContact O-CG 3.27Å; S224-N226 PolarHBondContact O-N 2.99Å; S224-N226 PolarHBondContact O-OD1 2.69Å; S224-N226 VanDerWaalsContact O-OD1 3.14Å; S224-N226 PolarHBondContact OG-OD1 2.95Å
227	H	65.1	Low	66.1	Low	57 Å²	57	69.7 Å²	69.7	26%	0.264	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	19.4	-171	-51.8	107.6	0	0	0	113.3	Y225 S229 Y233 E256 C257	Y225-H227 PolarHBondContact O-N 2.87Å; Y225-H227 VanDerWaalsContact O-N 3.12Å; H227-S229 PolarHBondContact O-N 2.77Å; H227-Y233 AromaticContact CE1-CD2 3.72Å; H227-E256 HydrophobicContact CB-CB 4.42Å; H227-C257 HydrophobicContact CB-CB 4.28Å
228	N	73.6	Confident	69.3	Low	70 Å²	70	65.6 Å²	65.6	37%	0.374	33%	0.327	S	S	.	.	S	Bend	trans	51.3	22.4	-171.6	-70.9	-34.5	0	0	0	113.8	N198 L201	N198-N228 PolarHBondContact N-O 3.39Å; L201-N228 VanDerWaalsContact CB-OD1 3.26Å; L201-N228 WeakPolarHBondContact CB-OD1 3.04Å; L201-N228 WeakPolarHBondContact CD1-OD1 3.34Å
229	S	85.6	Confident	72.5	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-129.9	125.6	-171.6	-173.6	0	0	0	0	111.5	F196 H227 M231 G252	F196-S229 CarbonylContact O-C 3.53Å; F196-S229 WeakPolarHBondContact O-CA 3.3Å; H227-S229 PolarHBondContact O-N 2.77Å; S229-M231 WeakPolarHBondContact OG-CB 3.48Å; S229-M231 PolarHBondContact OG-N 3.22Å; S229-M231 VanDerWaalsContact OG-N 3.11Å; S229-G252 WeakPolarHBondContact CB-O 3.43Å; S229-G252 PolarHBondContact OG-O 3.08Å
230	L	85.4	Confident	75.6	Confident	9 Å²	9	52.9 Å²	52.9	5%	0.047	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-8.4	170.4	-74.3	-170.5	0	0	0	111.9	V162 I174 A175 I176 G177 F196 G197 N198 G232	V162-L230 HydrophobicContact CG1-CD1 3.6Å; I174-L230 HydrophobicContact CG2-CD2 3.95Å; A175-L230 HydrophobicContact CB-CB 3.22Å; A175-L230 HydrophobicContact CB-CD1 4.07Å; A175-L230 HydrophobicContact CB-CD2 3.74Å; A175-L230 HydrophobicContact CB-CG 3.82Å; A175-L230 WeakPolarHBondContact CB-O 3.38Å; I176-L230 PolarHBondContact N-O 3.23Å; G177-L230 PolarHBondContact N-O 2.55Å; F196-L230 HydrophobicContact CB-CB 4.42Å; F196-L230 VanDerWaalsContact O-CB 3.29Å; F196-L230 WeakPolarHBondContact O-CB 3.37Å; F196-L230 PolarHBondContact O-N 3.14Å; G197-L230 VanDerWaalsContact O-CD1 3.31Å; G197-L230 WeakPolarHBondContact O-CD1 3.45Å; N198-L230 HydrophobicContact CB-CD2 4.15Å; N198-L230 HydrophobicContact CB-CG 4.28Å; L230-G232 VanDerWaalsContact C-N 3.32Å; L230-G232 PolarHBondContact O-N 3.22Å
231	M	86.9	Confident	78.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-27.3	176.9	-168.8	163.6	-69.1	0	0	113.1	G177 L178 F196 S229 L234 L240 I242 L258	G177-M231 PolarHBondContact N-O 3.32Å; L178-M231 PolarHBondContact N-O 3.14Å; F196-M231 HydrophobicContact CD1-CB 4.28Å; F196-M231 HydrophobicContact CD1-CE 3.73Å; F196-M231 HydrophobicContact CD2-CE 3.69Å; F196-M231 HydrophobicContact CE1-CE 3.64Å; F196-M231 HydrophobicContact CE2-CE 3.6Å; F196-M231 HydrophobicContact CG-CB 4.48Å; F196-M231 HydrophobicContact CG-CE 3.75Å; F196-M231 HydrophobicContact CZ-CE 3.56Å; S229-M231 WeakPolarHBondContact OG-CB 3.48Å; S229-M231 PolarHBondContact OG-N 3.22Å; S229-M231 VanDerWaalsContact OG-N 3.11Å; M231-L234 HydrophobicContact CG-CD1 3.88Å; M231-L234 HydrophobicContact SD-CD1 4.17Å; M231-L240 HydrophobicContact CE-CD1 4.08Å; M231-L240 HydrophobicContact CE-CD2 3.76Å; M231-L240 HydrophobicContact SD-CD1 4.19Å; M231-L240 HydrophobicContact SD-CD2 3.9Å; M231-I242 HydrophobicContact CE-CD1 4.12Å; M231-L258 HydrophobicContact SD-CD1 3.99Å; M231-L258 HydrophobicContact SD-CD2 4.09Å
232	G	86.6	Confident	81.5	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	109.2	-143	-173.6	0	0	0	0	0	112.5	L178 L230 C257	L178-G232 WeakPolarHBondContact O-CA 3.46Å; L230-G232 VanDerWaalsContact C-N 3.32Å; L230-G232 PolarHBondContact O-N 3.22Å; G232-C257 PolarHBondContact O-SG 2.83Å
233	Y	89.4	Confident	84.1	Confident	72 Å²	72	30.2 Å²	30.2	28%	0.282	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	110.5	175.8	178.5	-115.1	0	0	0	109.5	L178 H227 P235 E256	L178-Y233 PolarHBondContact O-N 3.12Å; H227-Y233 AromaticContact CE1-CD2 3.72Å; Y233-P235 HydrophobicContact CD1-CG 4.15Å; Y233-P235 HydrophobicContact CE1-CB 4.04Å; Y233-P235 HydrophobicContact CE1-CG 3.57Å; Y233-P235 HydrophobicContact CE2-CB 4.22Å; Y233-P235 WeakPolarHBondContact O-CD 3.48Å; Y233-E256 WeakPolarHBondContact CE2-O 3.44Å
234	L	94.7	Very high	86.3	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.			trans	-129.5	68.4	-172	-57	172.7	0	0	0	110.4	L178 L180 L183 L186 M231 N236 L237 C257 L258	L178-L234 HydrophobicContact CB-CD2 3.86Å; L180-L234 HydrophobicContact CB-CD2 3.95Å; L183-L234 HydrophobicContact CB-CD2 4.31Å; L183-L234 HydrophobicContact CD2-CD1 4.38Å; L183-L234 HydrophobicContact CD2-CD2 3.95Å; L186-L234 HydrophobicContact CD2-CD1 3.88Å; M231-L234 HydrophobicContact CG-CD1 3.88Å; M231-L234 HydrophobicContact SD-CD1 4.17Å; L234-N236 PolarHBondContact O-N 3.33Å; L234-L237 HydrophobicContact CB-CB 3.86Å; L234-L237 HydrophobicContact CD1-CD2 3.99Å; L234-L237 WeakPolarHBondContact O-CB 3.19Å; L234-L237 PolarHBondContact O-N 3Å; L234-C257 CarbonylContact C-O 3.39Å; L234-C257 PolarHBondContact N-O 2.89Å; L234-L258 HydrophobicContact CB-CD2 3.84Å; L234-L258 HydrophobicContact CD1-CD2 4.3Å
235	P	95.2	Very high	88.4	Confident	16 Å²	16	25.3 Å²	25.3	10%	0.104	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.1	-168.9	24.5	-35.7	0	0	0	114.7	K181 Y233 P259 R260	K181-P235 HydrophobicContact CB-CG 4.28Å; K181-P235 HydrophobicContact CG-CG 4.08Å; Y233-P235 HydrophobicContact CD1-CG 4.15Å; Y233-P235 HydrophobicContact CE1-CB 4.04Å; Y233-P235 HydrophobicContact CE1-CG 3.57Å; Y233-P235 HydrophobicContact CE2-CB 4.22Å; Y233-P235 WeakPolarHBondContact O-CD 3.48Å; P235-P259 HydrophobicContact CB-CG 4.43Å; P235-R260 VanDerWaalsContact O-CD 3.29Å; P235-R260 WeakPolarHBondContact O-CD 3.4Å; P235-R260 WeakPolarHBondContact O-CG 3.29Å
236	N	97.9	Very high	90.2	Very high	37 Å²	37	26.1 Å²	26.1	20%	0.198	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	4.9	-179.1	-67.2	-33.2	0	0	0	114.3	K181 L183 L234 S238 R260	K181-N236 VanDerWaalsContact O-CB 3.23Å; K181-N236 WeakPolarHBondContact O-CB 3.48Å; K181-N236 PolarHBondContact O-ND2 3Å; L183-N236 CarbonylContact O-C 3.39Å; L234-N236 PolarHBondContact O-N 3.33Å; N236-S238 PolarHBondContact O-N 3.43Å; N236-R260 WeakPolarHBondContact OD1-CD 3.5Å; N236-R260 PolarHBondContact OD1-NH1 2.77Å
237	L	98.3	Very high	91.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.129	C	C	.	.			trans	-67.1	122.2	179.8	-164.6	76.1	0	0	0	109.6	L183 L186 L234 L240 L258 R260 L261	L183-L237 HydrophobicContact CD2-CD1 4.03Å; L183-L237 HydrophobicContact CG-CD1 4.01Å; L183-L237 VanDerWaalsContact O-CA 3.3Å; L183-L237 WeakPolarHBondContact O-CA 3.44Å; L183-L237 PolarHBondContact O-N 2.94Å; L183-L237 VanDerWaalsContact O-N 3.08Å; L186-L237 HydrophobicContact CB-CD1 3.62Å; L186-L237 HydrophobicContact CB-CD2 4.28Å; L234-L237 HydrophobicContact CB-CB 3.86Å; L234-L237 HydrophobicContact CD1-CD2 3.99Å; L234-L237 WeakPolarHBondContact O-CB 3.19Å; L234-L237 PolarHBondContact O-N 3Å; L237-L240 HydrophobicContact CD2-CB 3.99Å; L237-L240 HydrophobicContact CD2-CD1 4.13Å; L237-L240 HydrophobicContact CD2-CG 4.43Å; L237-L258 HydrophobicContact CB-CD2 4.15Å; L237-L258 HydrophobicContact CD2-CD2 3.77Å; L237-R260 CarbonylContact O-C 3.14Å; L237-L261 HydrophobicContact CD2-CD1 4.46Å; L237-L261 WeakPolarHBondContact O-CA 3.33Å; L237-L261 PolarHBondContact O-N 3Å; L237-L261 VanDerWaalsContact O-N 3.09Å
238	S	98.6	Very high	93.1	Very high	31 Å²	31	25.3 Å²	25.3	22%	0.217	14%	0.138	C	C	.	.			trans	-109.1	-33.1	179.3	169.7	0	0	0	0	111.3	K184 N236 R260 E262 Y263	K184-S238 PolarHBondContact O-N 3.22Å; N236-S238 PolarHBondContact O-N 3.43Å; S238-R260 WeakPolarHBondContact CA-O 3.46Å; S238-E262 PolarHBondContact O-N 3.34Å; S238-Y263 PolarHBondContact O-N 3.13Å
239	V	98.8	Very high	94	Very high	37 Å²	37	22.8 Å²	22.8	22%	0.224	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119	-178.5	-179.1	0	0	0	0	109.8	K184 A185 L186 Y263	K184-V239 PolarHBondContact O-N 2.92Å; A185-V239 WeakPolarHBondContact CA-O 3.49Å; A185-V239 HydrophobicContact CB-CB 4.07Å; L186-V239 PolarHBondContact N-O 3.41Å; V239-Y263 HydrophobicContact CG1-CD1 3.81Å; V239-Y263 HydrophobicContact CG1-CE1 4.4Å; V239-Y263 HydrophobicContact CG1-CG 4.46Å
240	L	98.5	Very high	94.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.8	173.1	-179.9	56.5	0	0	0	109.8	L186 L188 M231 L237 I242 L258 L261 Y263 L264 N265	L186-L240 HydrophobicContact CB-CD1 4.28Å; L186-L240 HydrophobicContact CD2-CD1 4.18Å; L186-L240 HydrophobicContact CG-CD1 4.25Å; L188-L240 HydrophobicContact CD1-CD1 4.22Å; M231-L240 HydrophobicContact CE-CD1 4.08Å; M231-L240 HydrophobicContact CE-CD2 3.76Å; M231-L240 HydrophobicContact SD-CD1 4.19Å; M231-L240 HydrophobicContact SD-CD2 3.9Å; L237-L240 HydrophobicContact CD2-CB 3.99Å; L237-L240 HydrophobicContact CD2-CD1 4.13Å; L237-L240 HydrophobicContact CD2-CG 4.43Å; L240-I242 HydrophobicContact CD1-CD1 3.71Å; L240-I242 HydrophobicContact CD1-CG1 3.7Å; L240-I242 HydrophobicContact CD2-CD1 3.7Å; L240-I242 HydrophobicContact CD2-CG1 4.48Å; L240-I242 HydrophobicContact CG-CD1 3.58Å; L240-I242 HydrophobicContact CG-CG1 3.81Å; L240-L258 HydrophobicContact CD2-CD1 4Å; L240-L261 HydrophobicContact CB-CD1 3.58Å; L240-Y263 PolarHBondContact N-O 3.11Å; L240-L264 HydrophobicContact CB-CD1 4.12Å; L240-L264 HydrophobicContact CD2-CD1 3.87Å; L240-L264 HydrophobicContact CG-CD1 3.99Å; L240-L264 WeakPolarHBondContact O-CA 3.38Å; L240-N265 PolarHBondContact O-N 2.79Å
241	H	98.3	Very high	94.7	Very high	38 Å²	38	23.5 Å²	23.5	18%	0.176	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	112.7	-178.3	-172	-64.9	0	0	0	111.1	L186 Y187 L188 G189 R243 N265	L186-H241 PolarHBondContact O-N 3.34Å; Y187-H241 HydrophobicContact CD1-CB 3.72Å; Y187-H241 HydrophobicContact CE1-CB 4.32Å; Y187-H241 HydrophobicContact CG-CB 4.47Å; L188-H241 CarbonylContact C-O 3.23Å; L188-H241 WeakPolarHBondContact CA-O 3.23Å; L188-H241 PolarHBondContact N-O 3.2Å; G189-H241 PolarHBondContact N-O 3.31Å; H241-R243 VanDerWaalsContact CE1-CB 3.45Å; H241-R243 WeakPolarHBondContact CE1-CB 3.22Å; H241-N265 HydrophobicContact CB-CB 4.49Å; H241-N265 PolarHBondContact CD2-ND2 3.33Å; H241-N265 PolarHBondContact NE2-ND2 3.01Å
242	I	96.7	Very high	94.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.			trans	-135.3	44.8	-173.3	-41.6	164.8	0	0	0	109.7	L188 L193 F196 M231 L240 N265 N269	L188-I242 HydrophobicContact CB-CG1 4.24Å; L188-I242 HydrophobicContact CB-CG2 4.37Å; L188-I242 HydrophobicContact CD1-CG1 4.43Å; L193-I242 HydrophobicContact CD1-CG2 4.13Å; F196-I242 HydrophobicContact CE2-CD1 3.45Å; F196-I242 VanDerWaalsContact CE2-CD1 3.45Å; F196-I242 HydrophobicContact CZ-CD1 3.61Å; F196-I242 HydrophobicContact CZ-CG2 4.28Å; M231-I242 HydrophobicContact CE-CD1 4.12Å; L240-I242 HydrophobicContact CD1-CD1 3.71Å; L240-I242 HydrophobicContact CD1-CG1 3.7Å; L240-I242 HydrophobicContact CD2-CD1 3.7Å; L240-I242 HydrophobicContact CD2-CG1 4.48Å; L240-I242 HydrophobicContact CG-CD1 3.58Å; L240-I242 HydrophobicContact CG-CG1 3.81Å; I242-N265 CarbonylContact C-O 3.37Å; I242-N265 PolarHBondContact N-O 3.33Å; I242-N269 PolarHBondContact O-ND2 2.94Å
243	R	97.3	Very high	95.2	Very high	62 Å²	62	23.9 Å²	23.9	23%	0.234	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	142.4	176.2	175	179.7	177.4	152.6	3	111.6	G189 Y190 H241 S245 R267 E268	G189-R243 CarbonylContact C-O 3.55Å; G189-R243 WeakPolarHBondContact CA-O 3.27Å; Y190-R243 HydrophobicContact CE2-CG 4.49Å; Y190-R243 PolarHBondContact N-O 2.92Å; Y190-R243 PolarHBondContact OH-NE 2.93Å; H241-R243 VanDerWaalsContact CE1-CB 3.45Å; H241-R243 WeakPolarHBondContact CE1-CB 3.22Å; R243-S245 VanDerWaalsContact C-N 3.29Å; R243-S245 PolarHBondContact O-N 3.13Å; R243-R267 CarbonylContact C-O 3.02Å; R243-R267 WeakPolarHBondContact CA-O 3.21Å; R243-R267 HydrophobicContact CB-CB 4.46Å; R243-R267 HydrophobicContact CG-CB 4.08Å; R243-R267 HydrophobicContact CG-CG 4.24Å; R243-R267 VanDerWaalsContact CG-O 3.31Å; R243-R267 WeakPolarHBondContact CG-O 3.25Å; R243-E268 HydrophobicContact CG-CB 4.14Å; R243-E268 IonicContact CZ-OE2 3.48Å; R243-E268 IonicContact NE-OE2 2.7Å; R243-E268 PolarHBondContact NE-OE2 2.79Å; R243-E268 IonicContact NH2-OE2 3.65Å; R243-E268 PolarHBondContact NH2-OE2 3.34Å
244	S	97.8	Very high	95.3	Very high	33 Å²	33	21.6 Å²	21.6	23%	0.231	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	39.6	167.8	-173.3	0	0	0	0	114.1	Y190 R267 E268	Y190-S244 WeakPolarHBondContact CA-O 3.38Å; Y190-S244 VanDerWaalsContact CD1-CB 3.49Å; Y190-S244 WeakPolarHBondContact CD1-OG 3.47Å; Y190-S244 VanDerWaalsContact CE1-CB 3.46Å; S244-R267 PolarHBondContact N-O 3.18Å; S244-E268 WeakPolarHBondContact CA-O 3.26Å; S244-E268 PolarHBondContact N-O 2.74Å
245	S	95	Very high	95.3	Very high	4 Å²	4	23.3 Å²	23.3	3%	0.028	14%	0.137	C	C	.	.	S	Bend	trans	-106.1	-4.2	178.2	-63.3	0	0	0	0	113.9	L188 Y190 N191 K192 L193 R243 N269	L188-S245 PolarHBondContact O-OG 3.36Å; L188-S245 VanDerWaalsContact O-OG 3.07Å; Y190-S245 PolarHBondContact N-OG 3Å; N191-S245 PolarHBondContact N-OG 3.27Å; N191-S245 VanDerWaalsContact O-CA 3.31Å; N191-S245 WeakPolarHBondContact O-CA 3.03Å; K192-S245 CarbonylContact C-O 3.34Å; K192-S245 WeakPolarHBondContact CA-O 3.41Å; L193-S245 CarbonylContact C-O 3.54Å; L193-S245 PolarHBondContact N-O 2.99Å; R243-S245 VanDerWaalsContact C-N 3.29Å; R243-S245 PolarHBondContact O-N 3.13Å; S245-N269 PolarHBondContact N-OD1 2.76Å
246	G	93.5	Very high	95.1	Very high	30 Å²	30	27.2 Å²	27.2	31%	0.309	15%	0.153	S	C	.	.			trans	84.3	20.1	-178.5	0	0	0	0	0	114.1	I248 N269	G246-I248 PolarHBondContact O-N 2.92Å; G246-N269 PolarHBondContact N-OD1 3.43Å
247	L	94.5	Very high	94.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.144	C	C	.	.			trans	-61.9	118.3	-177.7	-166.9	72.2	0	0	0	110.5	L193 I194 F196 N249 L250 V266 N269 Q270 I271	L193-L247 WeakPolarHBondContact O-CA 3.38Å; L193-L247 PolarHBondContact O-N 3.31Å; I194-L247 WeakPolarHBondContact O-CA 3.46Å; F196-L247 HydrophobicContact CD2-CD1 4.21Å; F196-L247 HydrophobicContact CE2-CD1 3.86Å; L247-N249 WeakPolarHBondContact CD1-O 3.26Å; L247-N249 VanDerWaalsContact CG-O 3.24Å; L247-N249 WeakPolarHBondContact CG-O 3.44Å; L247-L250 HydrophobicContact CD2-CD2 3.8Å; L247-V266 HydrophobicContact CD2-CG1 3.91Å; L247-N269 HydrophobicContact CB-CB 3.9Å; L247-N269 WeakPolarHBondContact CB-OD1 3.23Å; L247-N269 PolarHBondContact N-OD1 2.93Å; L247-N269 WeakPolarHBondContact O-CB 3.47Å; L247-Q270 CarbonylContact O-C 3.51Å; L247-Q270 WeakPolarHBondContact O-CA 3.44Å; L247-Q270 PolarHBondContact O-N 3.25Å; L247-I271 HydrophobicContact CB-CD1 4.48Å; L247-I271 HydrophobicContact CD2-CD1 4.14Å; L247-I271 HydrophobicContact CG-CD1 4.06Å
248	I	93.1	Very high	94.6	Very high	92 Å²	92	25.4 Å²	25.4	47%	0.472	14%	0.144	S	C	.	.			trans	-94.8	-22	-179.9	56.4	160.8	0	0	0	112.7	I194 G246 Q270	I194-I248 VanDerWaalsContact O-CG1 3.24Å; I194-I248 WeakPolarHBondContact O-CG1 3.14Å; I194-I248 PolarHBondContact O-N 3.1Å; G246-I248 PolarHBondContact O-N 2.92Å; I248-Q270 HydrophobicContact CG2-CB 3.88Å
249	N	93	Very high	94.5	Very high	17 Å²	17	26.3 Å²	26.3	9%	0.091	15%	0.149	C	C	.	.			trans	-149.6	161.9	-177.3	68.3	59.2	0	0	0	111.1	S195 Y199 L247 D251 E276	S195-N249 WeakPolarHBondContact CB-OD1 3.46Å; S195-N249 PolarHBondContact OG-OD1 3.24Å; Y199-N249 PolarHBondContact OH-ND2 2.95Å; Y199-N249 PolarHBondContact OH-OD1 2.89Å; L247-N249 WeakPolarHBondContact CD1-O 3.26Å; L247-N249 VanDerWaalsContact CG-O 3.24Å; L247-N249 WeakPolarHBondContact CG-O 3.44Å; N249-D251 VanDerWaalsContact OD1-CB 3.29Å; N249-D251 WeakPolarHBondContact OD1-CB 3.09Å; N249-D251 PolarHBondContact OD1-N 2.88Å; N249-D251 VanDerWaalsContact OD1-N 3.14Å; N249-E276 WeakPolarHBondContact CA-OE2 3.35Å; N249-E276 WeakPolarHBondContact CB-OE2 3.43Å
250	L	94.6	Very high	94.4	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	16%	0.159	C	C	.	.			trans	-98.3	16.5	-178.8	-61.5	174.8	0	0	0	112.9	L247 I253 V266 I271 E276 I277 L280	L247-L250 HydrophobicContact CD2-CD2 3.8Å; L250-I253 HydrophobicContact CD2-CD1 4.01Å; L250-I253 PolarHBondContact O-N 3.38Å; L250-V266 HydrophobicContact CD2-CG1 4.26Å; L250-I271 HydrophobicContact CD2-CD1 3.84Å; L250-I271 HydrophobicContact CD2-CG1 4.28Å; L250-I271 HydrophobicContact CG-CD1 3.94Å; L250-E276 HydrophobicContact CD1-CB 4.41Å; L250-E276 WeakPolarHBondContact CD1-O 3.47Å; L250-E276 HydrophobicContact CG-CB 4.48Å; L250-E276 PolarHBondContact N-OE2 3.28Å; L250-I277 HydrophobicContact CD1-CD1 4.13Å; L250-L280 HydrophobicContact CB-CD2 4.4Å; L250-L280 HydrophobicContact CD1-CD1 3.71Å; L250-L280 HydrophobicContact CD1-CD2 4.15Å; L250-L280 HydrophobicContact CD1-CG 3.82Å
251	D	90.5	Very high	94.4	Very high	21 Å²	21	30.2 Å²	30.2	11%	0.112	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	142.1	176	-71.1	-19.2	0	0	0	110.8	F196 G197 Y199 K202 N249 I253 K279	F196-D251 CarbonylContact C-O 3.55Å; F196-D251 VanDerWaalsContact CA-O 3.32Å; F196-D251 WeakPolarHBondContact CA-O 3.47Å; F196-D251 WeakPolarHBondContact CB-O 3.42Å; F196-D251 PolarHBondContact N-O 3.23Å; F196-D251 VanDerWaalsContact N-O 3.15Å; G197-D251 PolarHBondContact N-O 3.02Å; G197-D251 VanDerWaalsContact N-O 3.11Å; Y199-D251 WeakPolarHBondContact CE1-OD2 2.98Å; Y199-D251 PolarHBondContact OH-OD2 3.23Å; K202-D251 VanDerWaalsContact NZ-CG 3.27Å; K202-D251 IonicContact NZ-OD1 3.06Å; K202-D251 PolarHBondContact NZ-OD1 2.96Å; K202-D251 IonicContact NZ-OD2 2.8Å; K202-D251 PolarHBondContact NZ-OD2 2.96Å; N249-D251 VanDerWaalsContact OD1-CB 3.29Å; N249-D251 WeakPolarHBondContact OD1-CB 3.09Å; N249-D251 PolarHBondContact OD1-N 2.88Å; N249-D251 VanDerWaalsContact OD1-N 3.14Å; D251-I253 VanDerWaalsContact C-N 3.3Å; D251-K279 WeakPolarHBondContact OD1-CD 3.49Å; D251-K279 WeakPolarHBondContact OD1-CE 3.29Å; D251-K279 IonicContact OD1-NZ 2.72Å; D251-K279 PolarHBondContact OD1-NZ 3.18Å
252	G	89.2	Confident	94.4	Very high	6 Å²	6	32.8 Å²	32.8	6%	0.062	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-7	-178.1	0	0	0	0	0	115	F196 S229 T254	F196-G252 WeakPolarHBondContact O-CA 3.48Å; S229-G252 WeakPolarHBondContact CB-O 3.43Å; S229-G252 PolarHBondContact OG-O 3.08Å; G252-T254 PolarHBondContact O-N 3.17Å
253	I	94.1	Very high	94.5	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	19%	0.185	C	C	.	.			trans	-89.4	83.5	167.7	-54.7	-177.9	0	0	0	107.7	F196 L250 D251 L258 L261 L264 L280 L283	F196-I253 HydrophobicContact CD2-CG1 4.19Å; L250-I253 HydrophobicContact CD2-CD1 4.01Å; L250-I253 PolarHBondContact O-N 3.38Å; D251-I253 VanDerWaalsContact C-N 3.3Å; I253-L258 HydrophobicContact CB-CD1 4.45Å; I253-L258 HydrophobicContact CG2-CD1 3.8Å; I253-L261 HydrophobicContact CG2-CD2 4.05Å; I253-L264 HydrophobicContact CD1-CD1 4.29Å; I253-L264 HydrophobicContact CD1-CD2 4.32Å; I253-L280 HydrophobicContact CB-CD2 4.22Å; I253-L280 HydrophobicContact CG2-CD2 3.81Å; I253-L283 HydrophobicContact CG2-CD1 3.97Å
254	T	92.7	Very high	94.6	Very high	24 Å²	24	33.1 Å²	33.1	15%	0.147	17%	0.174	C	C	.	.			trans	-116.9	157.2	-172.5	84.3	0	0	0	0	112.2	G252 E256 C257 L258	G252-T254 PolarHBondContact O-N 3.17Å; T254-E256 WeakPolarHBondContact CB-OE2 3.39Å; T254-E256 PolarHBondContact O-N 3.07Å; T254-E256 PolarHBondContact OG1-N 3.02Å; T254-E256 PolarHBondContact OG1-OE2 3.23Å; T254-C257 PolarHBondContact O-N 3.09Å; T254-C257 PolarHBondContact OG1-N 2.94Å; T254-L258 PolarHBondContact O-N 2.91Å
255	P	93.2	Very high	94.6	Very high	37 Å²	37	32 Å²	32	24%	0.24	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.5	177.4	26.7	-35.3	0	0	0	113.4	P259 S282 L283	P255-P259 VanDerWaalsContact O-CA 3.27Å; P255-P259 WeakPolarHBondContact O-CA 3.29Å; P255-P259 VanDerWaalsContact O-CB 3.23Å; P255-P259 WeakPolarHBondContact O-CB 3.37Å; P255-P259 VanDerWaalsContact O-CD 3.26Å; P255-P259 WeakPolarHBondContact O-CD 3.46Å; P255-S282 WeakPolarHBondContact CD-OG 3.29Å; P255-L283 HydrophobicContact CB-CD2 4.17Å
256	E	91.2	Very high	94.8	Very high	97 Å²	97	31.9 Å²	31.9	45%	0.453	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-40.4	175.2	-55.9	72.2	-156.3	0	0	111	H227 Y233 T254	H227-E256 HydrophobicContact CB-CB 4.42Å; Y233-E256 WeakPolarHBondContact CE2-O 3.44Å; T254-E256 WeakPolarHBondContact CB-OE2 3.39Å; T254-E256 PolarHBondContact O-N 3.07Å; T254-E256 PolarHBondContact OG1-N 3.02Å; T254-E256 PolarHBondContact OG1-OE2 3.23Å
257	C	91	Very high	95	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-42.2	178.8	179.4	0	0	0	0	112.4	H227 G232 L234 T254 P259	H227-C257 HydrophobicContact CB-CB 4.28Å; G232-C257 PolarHBondContact O-SG 2.83Å; L234-C257 CarbonylContact C-O 3.39Å; L234-C257 PolarHBondContact N-O 2.89Å; T254-C257 PolarHBondContact O-N 3.09Å; T254-C257 PolarHBondContact OG1-N 2.94Å; C257-P259 VanDerWaalsContact C-CD 3.41Å
258	L	95.3	Very high	95.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.			trans	-129.1	53.9	-168.5	-53.4	176.6	0	0	0	112.8	M231 L234 L237 L240 I253 T254 R260 L261	M231-L258 HydrophobicContact SD-CD1 3.99Å; M231-L258 HydrophobicContact SD-CD2 4.09Å; L234-L258 HydrophobicContact CB-CD2 3.84Å; L234-L258 HydrophobicContact CD1-CD2 4.3Å; L237-L258 HydrophobicContact CB-CD2 4.15Å; L237-L258 HydrophobicContact CD2-CD2 3.77Å; L240-L258 HydrophobicContact CD2-CD1 4Å; I253-L258 HydrophobicContact CB-CD1 4.45Å; I253-L258 HydrophobicContact CG2-CD1 3.8Å; T254-L258 PolarHBondContact O-N 2.91Å; L258-R260 PolarHBondContact O-N 3.19Å; L258-L261 HydrophobicContact CB-CB 4.13Å; L258-L261 HydrophobicContact CD1-CD2 4.19Å; L258-L261 PolarHBondContact O-N 3.43Å; L258-L261 VanDerWaalsContact O-N 3.16Å
259	P	95.9	Very high	95.4	Very high	49 Å²	49	32.2 Å²	32.2	32%	0.318	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-10.8	-174.1	26.3	-35.5	0	0	0	114.5	P235 P255 C257 R285	P235-P259 HydrophobicContact CB-CG 4.43Å; P255-P259 VanDerWaalsContact O-CA 3.27Å; P255-P259 WeakPolarHBondContact O-CA 3.29Å; P255-P259 VanDerWaalsContact O-CB 3.23Å; P255-P259 WeakPolarHBondContact O-CB 3.37Å; P255-P259 VanDerWaalsContact O-CD 3.26Å; P255-P259 WeakPolarHBondContact O-CD 3.46Å; C257-P259 VanDerWaalsContact C-CD 3.41Å; P259-R285 PolarHBondContact O-NH1 2.82Å
260	R	97.7	Very high	95.6	Very high	118 Å²	118	36.7 Å²	36.7	45%	0.445	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	7.8	-177.7	-73.9	-177.5	-178.6	173.7	2.9	114.1	P235 N236 L237 S238 L258 E262 R285	P235-R260 VanDerWaalsContact O-CD 3.29Å; P235-R260 WeakPolarHBondContact O-CD 3.4Å; P235-R260 WeakPolarHBondContact O-CG 3.29Å; N236-R260 WeakPolarHBondContact OD1-CD 3.5Å; N236-R260 PolarHBondContact OD1-NH1 2.77Å; L237-R260 CarbonylContact O-C 3.14Å; S238-R260 WeakPolarHBondContact CA-O 3.46Å; L258-R260 PolarHBondContact O-N 3.19Å; R260-E262 PolarHBondContact O-N 2.86Å; R260-R285 VanDerWaalsContact CG-NH1 3.33Å
261	L	98.4	Very high	95.8	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	17%	0.173	C	C	.	.			trans	-64.2	122.9	-177.9	-166.8	67.5	0	0	0	110.8	L237 L240 I253 L258 L264 L283 R285 L286	L237-L261 HydrophobicContact CD2-CD1 4.46Å; L237-L261 WeakPolarHBondContact O-CA 3.33Å; L237-L261 PolarHBondContact O-N 3Å; L237-L261 VanDerWaalsContact O-N 3.09Å; L240-L261 HydrophobicContact CB-CD1 3.58Å; I253-L261 HydrophobicContact CG2-CD2 4.05Å; L258-L261 HydrophobicContact CB-CB 4.13Å; L258-L261 HydrophobicContact CD1-CD2 4.19Å; L258-L261 PolarHBondContact O-N 3.43Å; L258-L261 VanDerWaalsContact O-N 3.16Å; L261-L264 HydrophobicContact CD2-CB 4.31Å; L261-L283 HydrophobicContact CD2-CD1 4.23Å; L261-R285 CarbonylContact O-C 3.35Å; L261-L286 HydrophobicContact CD2-CD1 4.29Å; L261-L286 HydrophobicContact CG-CD1 4.24Å; L261-L286 WeakPolarHBondContact O-CA 3.42Å; L261-L286 PolarHBondContact O-N 2.84Å; L261-L286 VanDerWaalsContact O-N 3.12Å
262	E	98.6	Very high	96	Very high	92 Å²	92	37.6 Å²	37.6	43%	0.43	19%	0.188	S	C	.	.			trans	-115.3	-31.3	179.8	-71.6	178.4	-165.6	0	0	112	S238 R260 R285 R287 T288	S238-E262 PolarHBondContact O-N 3.34Å; R260-E262 PolarHBondContact O-N 2.86Å; E262-R285 WeakPolarHBondContact CA-O 3.48Å; E262-R285 HydrophobicContact CG-CB 4.19Å; E262-R285 WeakPolarHBondContact CG-O 3.23Å; E262-R287 PolarHBondContact O-N 2.92Å; E262-T288 PolarHBondContact O-N 3.01Å
263	Y	98.7	Very high	96.4	Very high	69 Å²	69	39.4 Å²	39.4	27%	0.271	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	120.6	-177.4	-178.5	-79.3	0	0	0	110.3	S238 V239 L240 N265 T288 I290	S238-Y263 PolarHBondContact O-N 3.13Å; V239-Y263 HydrophobicContact CG1-CD1 3.81Å; V239-Y263 HydrophobicContact CG1-CE1 4.4Å; V239-Y263 HydrophobicContact CG1-CG 4.46Å; L240-Y263 PolarHBondContact N-O 3.11Å; Y263-N265 HydrophobicContact CE1-CB 3.66Å; Y263-T288 WeakPolarHBondContact CA-O 3.33Å; Y263-T288 HydrophobicContact CD2-CG2 3.59Å; Y263-T288 HydrophobicContact CE2-CG2 3.65Å; Y263-I290 HydrophobicContact CE2-CD1 4.28Å; Y263-I290 WeakPolarHBondContact OH-CD1 3.41Å
264	L	98.6	Very high	96.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.5	174.5	178.6	61	0	0	0	109.9	L240 I253 L261 V266 L280 L286 T288 V289 I290	L240-L264 HydrophobicContact CB-CD1 4.12Å; L240-L264 HydrophobicContact CD2-CD1 3.87Å; L240-L264 HydrophobicContact CG-CD1 3.99Å; L240-L264 WeakPolarHBondContact O-CA 3.38Å; I253-L264 HydrophobicContact CD1-CD1 4.29Å; I253-L264 HydrophobicContact CD1-CD2 4.32Å; L261-L264 HydrophobicContact CD2-CB 4.31Å; L264-V266 HydrophobicContact CD1-CG1 3.76Å; L264-V266 HydrophobicContact CD2-CG1 4.27Å; L264-V266 HydrophobicContact CG-CG1 3.92Å; L264-L280 HydrophobicContact CD2-CD1 3.79Å; L264-L280 HydrophobicContact CD2-CD2 4.22Å; L264-L286 HydrophobicContact CB-CD1 3.97Å; L264-T288 PolarHBondContact N-O 3.3Å; L264-V289 HydrophobicContact CB-CG2 4.46Å; L264-V289 CarbonylContact O-C 3.4Å; L264-V289 VanDerWaalsContact O-CA 3.3Å; L264-V289 WeakPolarHBondContact O-CA 3.42Å; L264-I290 PolarHBondContact O-N 2.82Å
265	N	98.7	Very high	96.7	Very high	10 Å²	10	44.9 Å²	44.9	5%	0.053	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	110	170.6	-176.9	-12	0	0	0	110.1	L240 H241 I242 Y263 R267 I290	L240-N265 PolarHBondContact O-N 2.79Å; H241-N265 HydrophobicContact CB-CB 4.49Å; H241-N265 PolarHBondContact CD2-ND2 3.33Å; H241-N265 PolarHBondContact NE2-ND2 3.01Å; I242-N265 CarbonylContact C-O 3.37Å; I242-N265 PolarHBondContact N-O 3.33Å; Y263-N265 HydrophobicContact CE1-CB 3.66Å; N265-R267 WeakPolarHBondContact OD1-CB 3.49Å; N265-R267 PolarHBondContact OD1-N 2.82Å; N265-I290 HydrophobicContact CB-CB 4.22Å; N265-I290 HydrophobicContact CB-CD1 4.44Å
266	V	98.3	Very high	96.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.			trans	-120.4	26.5	175.5	-67.9	0	0	0	0	110.8	L247 L250 L264 N269 I290 L291 N294	L247-V266 HydrophobicContact CD2-CG1 3.91Å; L250-V266 HydrophobicContact CD2-CG1 4.26Å; L264-V266 HydrophobicContact CD1-CG1 3.76Å; L264-V266 HydrophobicContact CD2-CG1 4.27Å; L264-V266 HydrophobicContact CG-CG1 3.92Å; V266-N269 VanDerWaalsContact C-ND2 3.26Å; V266-N269 PolarHBondContact O-ND2 3.27Å; V266-I290 CarbonylContact C-O 3.57Å; V266-I290 WeakPolarHBondContact CG2-O 3.23Å; V266-I290 PolarHBondContact N-O 3.29Å; V266-L291 HydrophobicContact CG2-CD2 3.57Å; V266-L291 HydrophobicContact CG2-CG 4.1Å; V266-N294 PolarHBondContact O-ND2 2.65Å
267	R	98.3	Very high	97.1	Very high	56 Å²	56	39.9 Å²	39.9	21%	0.211	20%	0.198	C	C	.	.			trans	-50.1	147.3	175	174.3	168.8	-175.4	137.8	1.4	111.7	R243 S244 N265 N269 I290 T292 D293	R243-R267 CarbonylContact C-O 3.02Å; R243-R267 WeakPolarHBondContact CA-O 3.21Å; R243-R267 HydrophobicContact CB-CB 4.46Å; R243-R267 HydrophobicContact CG-CB 4.08Å; R243-R267 HydrophobicContact CG-CG 4.24Å; R243-R267 VanDerWaalsContact CG-O 3.31Å; R243-R267 WeakPolarHBondContact CG-O 3.25Å; S244-R267 PolarHBondContact N-O 3.18Å; N265-R267 WeakPolarHBondContact OD1-CB 3.49Å; N265-R267 PolarHBondContact OD1-N 2.82Å; R267-N269 VanDerWaalsContact C-N 3.34Å; R267-N269 PolarHBondContact O-N 3.29Å; R267-N269 PolarHBondContact O-ND2 2.9Å; R267-I290 HydrophobicContact CB-CG2 3.95Å; R267-I290 PolarHBondContact N-O 3.48Å; R267-T292 CarbonylContact C-O 3.39Å; R267-T292 VanDerWaalsContact CA-O 3.24Å; R267-T292 WeakPolarHBondContact CA-O 3.39Å; R267-T292 VanDerWaalsContact CD-OG1 3.24Å; R267-T292 WeakPolarHBondContact CD-OG1 3.39Å; R267-T292 WeakPolarHBondContact CG-O 3.43Å; R267-T292 WeakPolarHBondContact CG-OG1 3.28Å; R267-T292 PolarHBondContact NH1-OG1 3.46Å; R267-D293 IonicContact CZ-OD2 2.82Å; R267-D293 IonicContact NE-OD2 2.74Å; R267-D293 PolarHBondContact NE-OD2 2.95Å; R267-D293 IonicContact NH2-OD1 2.63Å; R267-D293 IonicContact NH2-OD2 3.92Å; R267-D293 PolarHBondContact NH2-OD2 3.49Å
268	E	98.3	Very high	97.4	Very high	74 Å²	74	44.6 Å²	44.6	35%	0.346	22%	0.219	S	C	.	.	S	Bend	trans	59.2	44.2	172	-162.6	176.2	-179.8	0	0	112.1	R243 S244 T292 D293	R243-E268 HydrophobicContact CG-CB 4.14Å; R243-E268 IonicContact CZ-OE2 3.48Å; R243-E268 IonicContact NE-OE2 2.7Å; R243-E268 PolarHBondContact NE-OE2 2.79Å; R243-E268 IonicContact NH2-OE2 3.65Å; R243-E268 PolarHBondContact NH2-OE2 3.34Å; S244-E268 WeakPolarHBondContact CA-O 3.26Å; S244-E268 PolarHBondContact N-O 2.74Å; E268-T292 PolarHBondContact N-O 2.85Å; E268-D293 WeakPolarHBondContact CA-O 3.49Å; E268-D293 HydrophobicContact CB-CB 4.05Å; E268-D293 HydrophobicContact CG-CB 4.45Å; E268-D293 PolarHBondContact N-O 3.08Å
269	N	97.9	Very high	97.4	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-119.4	-159	173	-75.4	-71.7	0	0	0	109.6	I242 S245 G246 L247 V266 R267 D293 N294	I242-N269 PolarHBondContact O-ND2 2.94Å; S245-N269 PolarHBondContact N-OD1 2.76Å; G246-N269 PolarHBondContact N-OD1 3.43Å; L247-N269 HydrophobicContact CB-CB 3.9Å; L247-N269 WeakPolarHBondContact CB-OD1 3.23Å; L247-N269 PolarHBondContact N-OD1 2.93Å; L247-N269 WeakPolarHBondContact O-CB 3.47Å; V266-N269 VanDerWaalsContact C-ND2 3.26Å; V266-N269 PolarHBondContact O-ND2 3.27Å; R267-N269 VanDerWaalsContact C-N 3.34Å; R267-N269 PolarHBondContact O-N 3.29Å; R267-N269 PolarHBondContact O-ND2 2.9Å; N269-D293 PolarHBondContact N-O 3.47Å; N269-N294 VanDerWaalsContact CA-OD1 3.24Å; N269-N294 WeakPolarHBondContact CA-OD1 3.43Å; N269-N294 WeakPolarHBondContact CB-OD1 3.48Å; N269-N294 PolarHBondContact N-OD1 2.89Å; N269-N294 PolarHBondContact O-OD1 2.63Å
270	Q	97.2	Very high	97.4	Very high	111 Å²	111	45.7 Å²	45.7	52%	0.519	22%	0.218	S	C	.	.			trans	-120.6	30	-174.9	-59.2	-60.4	-55	0	0	111.6	L247 I248 G272 N294	L247-Q270 CarbonylContact O-C 3.51Å; L247-Q270 WeakPolarHBondContact O-CA 3.44Å; L247-Q270 PolarHBondContact O-N 3.25Å; I248-Q270 HydrophobicContact CG2-CB 3.88Å; Q270-G272 PolarHBondContact O-N 3.47Å; Q270-G272 VanDerWaalsContact O-N 3.1Å; Q270-N294 PolarHBondContact N-OD1 3.46Å
271	I	97.5	Very high	97.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.			trans	-67.6	109.8	177	-56.3	-54.3	0	0	0	109.2	L247 L250 E276 I277 L291 N294 P295 V296	L247-I271 HydrophobicContact CB-CD1 4.48Å; L247-I271 HydrophobicContact CD2-CD1 4.14Å; L247-I271 HydrophobicContact CG-CD1 4.06Å; L250-I271 HydrophobicContact CD2-CD1 3.84Å; L250-I271 HydrophobicContact CD2-CG1 4.28Å; L250-I271 HydrophobicContact CG-CD1 3.94Å; I271-E276 HydrophobicContact CG2-CB 3.81Å; I271-E276 HydrophobicContact CG2-CG 4.4Å; I271-I277 HydrophobicContact CG2-CD1 4.05Å; I271-L291 HydrophobicContact CB-CD2 4.5Å; I271-L291 HydrophobicContact CG2-CD2 4.4Å; I271-N294 HydrophobicContact CB-CB 4.25Å; I271-N294 WeakPolarHBondContact CB-OD1 3.21Å; I271-N294 WeakPolarHBondContact CG1-OD1 2.99Å; I271-N294 PolarHBondContact N-OD1 2.79Å; I271-P295 WeakPolarHBondContact O-CD 3.33Å; I271-V296 HydrophobicContact CB-CG1 4.49Å; I271-V296 HydrophobicContact CG2-CG1 4.24Å; I271-V296 WeakPolarHBondContact O-CB 3.36Å; I271-V296 PolarHBondContact O-N 2.89Å
272	G	96.3	Very high	97.1	Very high	42 Å²	42	46 Å²	46	43%	0.433	24%	0.236	S	C	.	.			trans	-93.8	-18.9	-163.6	0	0	0	0	0	117	Q270	Q270-G272 PolarHBondContact O-N 3.47Å; Q270-G272 VanDerWaalsContact O-N 3.1Å
273	S	96.7	Very high	97	Very high	44 Å²	44	42 Å²	42	31%	0.308	22%	0.218	S	C	.	.			trans	-151.2	162.1	-167.2	71.8	0	0	0	0	113.9	E275 E276	S273-E275 PolarHBondContact O-N 3.48Å; S273-E275 PolarHBondContact OG-N 3.38Å; S273-E276 PolarHBondContact O-N 2.89Å
274	L	96.9	Very high	96.7	Very high	30 Å²	30	46 Å²	46	16%	0.157	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-24.7	172.1	-65.2	172.7	0	0	0	112.7	E276 I277 K278 V296 V299 E305 V306	L274-E276 PolarHBondContact O-N 3.3Å; L274-I277 WeakPolarHBondContact O-CB 3.48Å; L274-I277 PolarHBondContact O-N 3.02Å; L274-K278 WeakPolarHBondContact O-CG 3.27Å; L274-K278 PolarHBondContact O-N 2.79Å; L274-V296 HydrophobicContact CD2-CG2 4.18Å; L274-V299 HydrophobicContact CD1-CG1 3.93Å; L274-V299 HydrophobicContact CG-CG1 4.21Å; L274-E305 HydrophobicContact CD1-CB 3.64Å; L274-E305 HydrophobicContact CD1-CG 3.89Å; L274-E305 HydrophobicContact CD2-CB 3.79Å; L274-E305 HydrophobicContact CG-CB 4.37Å; L274-V306 HydrophobicContact CD2-CG2 4.21Å
275	E	96.3	Very high	96.7	Very high	111 Å²	111	51.2 Å²	51.2	52%	0.519	26%	0.258	S	S	.	.	H	α-helix	trans	-62.3	-33.6	174.8	-64.9	-54.2	132	0	0	112	S273 K278	S273-E275 PolarHBondContact O-N 3.48Å; S273-E275 PolarHBondContact OG-N 3.38Å; E275-K278 IonicContact OE1-NZ 3.37Å; E275-K278 PolarHBondContact OE1-NZ 2.86Å; E275-K278 IonicContact OE2-NZ 3.65Å
276	E	96.3	Very high	96.7	Very high	30 Å²	30	51 Å²	51	14%	0.14	26%	0.257	C	S	.	.	H	α-helix	trans	-67.7	-40.4	171.8	-66.9	-56.8	132.1	0	0	111.5	N249 L250 I271 S273 L274 K278 K279	N249-E276 WeakPolarHBondContact CA-OE2 3.35Å; N249-E276 WeakPolarHBondContact CB-OE2 3.43Å; L250-E276 HydrophobicContact CD1-CB 4.41Å; L250-E276 WeakPolarHBondContact CD1-O 3.47Å; L250-E276 HydrophobicContact CG-CB 4.48Å; L250-E276 PolarHBondContact N-OE2 3.28Å; I271-E276 HydrophobicContact CG2-CB 3.81Å; I271-E276 HydrophobicContact CG2-CG 4.4Å; S273-E276 PolarHBondContact O-N 2.89Å; L274-E276 PolarHBondContact O-N 3.3Å; E276-K278 VanDerWaalsContact C-N 3.33Å; E276-K278 PolarHBondContact O-N 3.39Å; E276-K279 VanDerWaalsContact O-CB 3.28Å; E276-K279 WeakPolarHBondContact O-CB 3.48Å; E276-K279 WeakPolarHBondContact O-CG 3.03Å; E276-K279 PolarHBondContact O-N 3.28Å; E276-K279 VanDerWaalsContact O-N 3.16Å; E276-K279 WeakPolarHBondContact OE1-CE 3.11Å; E276-K279 IonicContact OE1-NZ 3.12Å; E276-K279 PolarHBondContact OE1-NZ 3.48Å; E276-K279 WeakPolarHBondContact OE2-CD 3.41Å; E276-K279 WeakPolarHBondContact OE2-CE 3.45Å; E276-K279 IonicContact OE2-NZ 2.78Å; E276-K279 PolarHBondContact OE2-NZ 3.08Å
277	I	97.3	Very high	96.7	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.8	-38.9	178.9	-54	-49.8	0	0	0	111.3	L250 I271 L274 K279 L280 L291 V296 V306 C309 L310	L250-I277 HydrophobicContact CD1-CD1 4.13Å; I271-I277 HydrophobicContact CG2-CD1 4.05Å; L274-I277 WeakPolarHBondContact O-CB 3.48Å; L274-I277 PolarHBondContact O-N 3.02Å; I277-K279 PolarHBondContact O-N 2.9Å; I277-K279 VanDerWaalsContact O-N 3.11Å; I277-L280 WeakPolarHBondContact O-CB 3.49Å; I277-L280 PolarHBondContact O-N 3.38Å; I277-L291 HydrophobicContact CD1-CD1 3.69Å; I277-L291 HydrophobicContact CD1-CD2 3.81Å; I277-L291 HydrophobicContact CD1-CG 4.41Å; I277-V296 HydrophobicContact CG1-CG2 4.15Å; I277-V306 HydrophobicContact CG2-CG1 4.26Å; I277-V306 HydrophobicContact CG2-CG2 4.47Å; I277-C309 HydrophobicContact CG2-CB 4.06Å; I277-L310 HydrophobicContact CG2-CD1 3.78Å; I277-L310 HydrophobicContact CG2-CD2 4.31Å; I277-L310 HydrophobicContact CG2-CG 3.87Å
278	K	96	Very high	96.7	Very high	99 Å²	99	52.1 Å²	52.1	43%	0.43	26%	0.263	S	S	.	.	H	α-helix	trans	-57.4	-24	175.9	-72.3	175.9	-175.4	172.7	0	113.6	L274 E275 E276 L280 T281 C309	L274-K278 WeakPolarHBondContact O-CG 3.27Å; L274-K278 PolarHBondContact O-N 2.79Å; E275-K278 IonicContact OE1-NZ 3.37Å; E275-K278 PolarHBondContact OE1-NZ 2.86Å; E275-K278 IonicContact OE2-NZ 3.65Å; E276-K278 VanDerWaalsContact C-N 3.33Å; E276-K278 PolarHBondContact O-N 3.39Å; K278-L280 PolarHBondContact O-N 2.85Å; K278-T281 WeakPolarHBondContact O-CB 3.43Å; K278-T281 PolarHBondContact O-N 2.96Å; K278-T281 PolarHBondContact O-OG1 2.86Å; K278-C309 HydrophobicContact CG-CB 4.31Å
279	K	95.1	Very high	96.7	Very high	70 Å²	70	48.6 Å²	48.6	30%	0.304	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.6	175.2	-59.3	177.8	-176.3	176	0	112.7	D251 E276 I277	D251-K279 WeakPolarHBondContact OD1-CD 3.49Å; D251-K279 WeakPolarHBondContact OD1-CE 3.29Å; D251-K279 IonicContact OD1-NZ 2.72Å; D251-K279 PolarHBondContact OD1-NZ 3.18Å; E276-K279 VanDerWaalsContact O-CB 3.28Å; E276-K279 WeakPolarHBondContact O-CB 3.48Å; E276-K279 WeakPolarHBondContact O-CG 3.03Å; E276-K279 PolarHBondContact O-N 3.28Å; E276-K279 VanDerWaalsContact O-N 3.16Å; E276-K279 WeakPolarHBondContact OE1-CE 3.11Å; E276-K279 IonicContact OE1-NZ 3.12Å; E276-K279 PolarHBondContact OE1-NZ 3.48Å; E276-K279 WeakPolarHBondContact OE2-CD 3.41Å; E276-K279 WeakPolarHBondContact OE2-CE 3.45Å; E276-K279 IonicContact OE2-NZ 2.78Å; E276-K279 PolarHBondContact OE2-NZ 3.08Å; I277-K279 PolarHBondContact O-N 2.9Å; I277-K279 VanDerWaalsContact O-N 3.11Å
280	L	96.8	Very high	96.7	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.4	179	-53.9	179.8	0	0	0	113.4	L250 I253 L264 I277 K278 S282 L283 L286 L310	L250-L280 HydrophobicContact CB-CD2 4.4Å; L250-L280 HydrophobicContact CD1-CD1 3.71Å; L250-L280 HydrophobicContact CD1-CD2 4.15Å; L250-L280 HydrophobicContact CD1-CG 3.82Å; I253-L280 HydrophobicContact CB-CD2 4.22Å; I253-L280 HydrophobicContact CG2-CD2 3.81Å; L264-L280 HydrophobicContact CD2-CD1 3.79Å; L264-L280 HydrophobicContact CD2-CD2 4.22Å; I277-L280 WeakPolarHBondContact O-CB 3.49Å; I277-L280 PolarHBondContact O-N 3.38Å; K278-L280 PolarHBondContact O-N 2.85Å; L280-S282 PolarHBondContact O-N 2.83Å; L280-S282 VanDerWaalsContact O-N 3.14Å; L280-L283 HydrophobicContact CB-CD1 4.17Å; L280-L283 HydrophobicContact CD2-CD1 3.72Å; L280-L283 WeakPolarHBondContact O-CB 3.41Å; L280-L283 PolarHBondContact O-N 3.48Å; L280-L286 HydrophobicContact CB-CD2 4.05Å; L280-L286 HydrophobicContact CD1-CD2 4.08Å; L280-L310 HydrophobicContact CB-CD1 4.48Å; L280-L310 HydrophobicContact CB-CD2 3.73Å; L280-L310 HydrophobicContact CD1-CD1 4.44Å
281	T	95.1	Very high	96.7	Very high	64 Å²	64	43.6 Å²	43.6	39%	0.393	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-31	-174.8	-61.1	0	0	0	0	113.1	K278 L283 C309	K278-T281 WeakPolarHBondContact O-CB 3.43Å; K278-T281 PolarHBondContact O-N 2.96Å; K278-T281 PolarHBondContact O-OG1 2.86Å; T281-L283 VanDerWaalsContact C-N 3.29Å; T281-L283 PolarHBondContact O-N 3.06Å; T281-C309 WeakPolarHBondContact CG2-O 3.5Å; T281-C309 PolarHBondContact OG1-O 3.05Å
282	S	93.4	Very high	96.8	Very high	62 Å²	62	44.5 Å²	44.5	43%	0.434	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-10.5	179	59.8	0	0	0	0	114.3	P255 L280 Q284	P255-S282 WeakPolarHBondContact CD-OG 3.29Å; L280-S282 PolarHBondContact O-N 2.83Å; L280-S282 VanDerWaalsContact O-N 3.14Å; S282-Q284 PolarHBondContact O-N 3.06Å
283	L	96.4	Very high	96.8	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.047	23%	0.23	C	C	.	.			trans	-79.9	80.8	178.8	-62.6	171.6	0	0	0	110.9	I253 P255 L261 L280 T281 R285 L286	I253-L283 HydrophobicContact CG2-CD1 3.97Å; P255-L283 HydrophobicContact CB-CD2 4.17Å; L261-L283 HydrophobicContact CD2-CD1 4.23Å; L280-L283 HydrophobicContact CB-CD1 4.17Å; L280-L283 HydrophobicContact CD2-CD1 3.72Å; L280-L283 WeakPolarHBondContact O-CB 3.41Å; L280-L283 PolarHBondContact O-N 3.48Å; T281-L283 VanDerWaalsContact C-N 3.29Å; T281-L283 PolarHBondContact O-N 3.06Å; L283-R285 PolarHBondContact O-N 2.66Å; L283-L286 HydrophobicContact CB-CB 3.96Å; L283-L286 HydrophobicContact CB-CD2 4.47Å; L283-L286 HydrophobicContact CD1-CD2 4.26Å; L283-L286 WeakPolarHBondContact O-CB 3.48Å; L283-L286 PolarHBondContact O-N 2.96Å
284	Q	94.4	Very high	96.9	Very high	152 Å²	152	44.7 Å²	44.7	71%	0.71	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-20.6	-173.4	-63	-177.5	-1.7	0	0	115.3	S282 R287	S282-Q284 PolarHBondContact O-N 3.06Å; Q284-R287 PolarHBondContact O-NH1 2.91Å; Q284-R287 PolarHBondContact O-NH2 3.22Å; Q284-R287 VanDerWaalsContact O-NH2 3.08Å
285	R	97.5	Very high	97	Very high	109 Å²	109	46 Å²	46	41%	0.411	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-8.4	178.3	-76.9	-176.3	175.1	116.6	1.4	114.1	P259 R260 L261 E262 L283 R287	P259-R285 PolarHBondContact O-NH1 2.82Å; R260-R285 VanDerWaalsContact CG-NH1 3.33Å; L261-R285 CarbonylContact O-C 3.35Å; E262-R285 WeakPolarHBondContact CA-O 3.48Å; E262-R285 HydrophobicContact CG-CB 4.19Å; E262-R285 WeakPolarHBondContact CG-O 3.23Å; L283-R285 PolarHBondContact O-N 2.66Å; R285-R287 WeakPolarHBondContact O-CG 3.5Å; R285-R287 PolarHBondContact O-N 3.01Å; R285-R287 PolarHBondContact O-NH1 3.09Å
286	L	98.3	Very high	97	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.031	20%	0.202	C	C	.	.			trans	-63	123.9	-179.2	-167.2	62.9	0	0	0	109.5	L261 L264 L280 L283 V289 L310	L261-L286 HydrophobicContact CD2-CD1 4.29Å; L261-L286 HydrophobicContact CG-CD1 4.24Å; L261-L286 WeakPolarHBondContact O-CA 3.42Å; L261-L286 PolarHBondContact O-N 2.84Å; L261-L286 VanDerWaalsContact O-N 3.12Å; L264-L286 HydrophobicContact CB-CD1 3.97Å; L280-L286 HydrophobicContact CB-CD2 4.05Å; L280-L286 HydrophobicContact CD1-CD2 4.08Å; L283-L286 HydrophobicContact CB-CB 3.96Å; L283-L286 HydrophobicContact CB-CD2 4.47Å; L283-L286 HydrophobicContact CD1-CD2 4.26Å; L283-L286 WeakPolarHBondContact O-CB 3.48Å; L283-L286 PolarHBondContact O-N 2.96Å; L286-V289 HydrophobicContact CD1-CG2 4.08Å; L286-V289 HydrophobicContact CD2-CG2 3.58Å; L286-V289 HydrophobicContact CG-CG2 3.82Å; L286-L310 HydrophobicContact CD2-CD1 4.42Å
287	R	98	Very high	97	Very high	63 Å²	63	44.9 Å²	44.9	24%	0.238	22%	0.218	C	C	.	.			trans	-122.7	-30.8	-177.6	-63.9	-56.9	172.3	-101.4	2.1	112.9	E262 Q284 R285 N312 R314 R315	E262-R287 PolarHBondContact O-N 2.92Å; Q284-R287 PolarHBondContact O-NH1 2.91Å; Q284-R287 PolarHBondContact O-NH2 3.22Å; Q284-R287 VanDerWaalsContact O-NH2 3.08Å; R285-R287 WeakPolarHBondContact O-CG 3.5Å; R285-R287 PolarHBondContact O-N 3.01Å; R285-R287 PolarHBondContact O-NH1 3.09Å; R287-N312 WeakPolarHBondContact CD-O 3.22Å; R287-R314 HydrophobicContact CB-CG 4.48Å; R287-R314 WeakPolarHBondContact O-CA 3.35Å; R287-R314 PolarHBondContact O-N 3.1Å; R287-R315 PolarHBondContact O-N 2.8Å
288	T	98.6	Very high	97	Very high	16 Å²	16	51.6 Å²	51.6	10%	0.098	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.8	178.9	-57.7	0	0	0	0	110.3	E262 Y263 L264 I290 R315	E262-T288 PolarHBondContact O-N 3.01Å; Y263-T288 WeakPolarHBondContact CA-O 3.33Å; Y263-T288 HydrophobicContact CD2-CG2 3.59Å; Y263-T288 HydrophobicContact CE2-CG2 3.65Å; L264-T288 PolarHBondContact N-O 3.3Å; T288-I290 HydrophobicContact CG2-CG1 4.49Å; T288-R315 WeakPolarHBondContact CA-O 3.38Å; T288-R315 HydrophobicContact CG2-CB 4.08Å; T288-R315 HydrophobicContact CG2-CG 4.05Å
289	V	98.4	Very high	97	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.6	171.8	175.7	0	0	0	0	108.6	L264 L286 L291 L310 L313 R315 L316 D317	L264-V289 HydrophobicContact CB-CG2 4.46Å; L264-V289 CarbonylContact O-C 3.4Å; L264-V289 VanDerWaalsContact O-CA 3.3Å; L264-V289 WeakPolarHBondContact O-CA 3.42Å; L286-V289 HydrophobicContact CD1-CG2 4.08Å; L286-V289 HydrophobicContact CD2-CG2 3.58Å; L286-V289 HydrophobicContact CG-CG2 3.82Å; V289-L291 HydrophobicContact CG1-CD1 3.51Å; V289-L291 HydrophobicContact CG1-CG 3.58Å; V289-L310 HydrophobicContact CG2-CD1 4.25Å; V289-L313 HydrophobicContact CB-CD1 3.98Å; V289-L313 HydrophobicContact CG2-CD1 3.6Å; V289-R315 PolarHBondContact N-O 3.12Å; V289-R315 VanDerWaalsContact N-O 3.1Å; V289-L316 HydrophobicContact CB-CD1 4.46Å; V289-L316 WeakPolarHBondContact O-CA 3.16Å; V289-D317 PolarHBondContact O-N 3.27Å
290	I	98.5	Very high	97	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.1	170.5	-51.6	-173	0	0	0	108.2	Y263 L264 N265 V266 R267 T288 D317 K318	Y263-I290 HydrophobicContact CE2-CD1 4.28Å; Y263-I290 WeakPolarHBondContact OH-CD1 3.41Å; L264-I290 PolarHBondContact O-N 2.82Å; N265-I290 HydrophobicContact CB-CB 4.22Å; N265-I290 HydrophobicContact CB-CD1 4.44Å; V266-I290 CarbonylContact C-O 3.57Å; V266-I290 WeakPolarHBondContact CG2-O 3.23Å; V266-I290 PolarHBondContact N-O 3.29Å; R267-I290 HydrophobicContact CB-CG2 3.95Å; R267-I290 PolarHBondContact N-O 3.48Å; T288-I290 HydrophobicContact CG2-CG1 4.49Å; I290-D317 WeakPolarHBondContact CA-OD1 3.38Å; I290-K318 HydrophobicContact CD1-CG 4.44Å
291	L	97.9	Very high	97	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	29%	0.288	C	S	.	.			trans	-126.3	-6	-173.3	-85	161.9	0	0	0	112.5	V266 I271 I277 V289 N294 V296 Y302 L316 D317	V266-L291 HydrophobicContact CG2-CD2 3.57Å; V266-L291 HydrophobicContact CG2-CG 4.1Å; I271-L291 HydrophobicContact CB-CD2 4.5Å; I271-L291 HydrophobicContact CG2-CD2 4.4Å; I277-L291 HydrophobicContact CD1-CD1 3.69Å; I277-L291 HydrophobicContact CD1-CD2 3.81Å; I277-L291 HydrophobicContact CD1-CG 4.41Å; V289-L291 HydrophobicContact CG1-CD1 3.51Å; V289-L291 HydrophobicContact CG1-CG 3.58Å; L291-N294 WeakPolarHBondContact O-CB 3.3Å; L291-N294 PolarHBondContact O-N 3.06Å; L291-N294 PolarHBondContact O-ND2 2.87Å; L291-V296 HydrophobicContact CD2-CG1 4.06Å; L291-Y302 WeakPolarHBondContact CB-OH 3.44Å; L291-L316 HydrophobicContact CD1-CD1 4.1Å; L291-D317 PolarHBondContact N-OD1 3.13Å
292	T	97.7	Very high	97.1	Very high	19 Å²	19	55.4 Å²	55.4	12%	0.117	27%	0.272	C	S	.	.			trans	-40.6	145.8	172.3	46.1	0	0	0	0	112.2	R267 E268 N294 Y297 D317	R267-T292 CarbonylContact C-O 3.39Å; R267-T292 VanDerWaalsContact CA-O 3.24Å; R267-T292 WeakPolarHBondContact CA-O 3.39Å; R267-T292 VanDerWaalsContact CD-OG1 3.24Å; R267-T292 WeakPolarHBondContact CD-OG1 3.39Å; R267-T292 WeakPolarHBondContact CG-O 3.43Å; R267-T292 WeakPolarHBondContact CG-OG1 3.28Å; R267-T292 PolarHBondContact NH1-OG1 3.46Å; E268-T292 PolarHBondContact N-O 2.85Å; T292-N294 VanDerWaalsContact C-N 3.31Å; T292-N294 PolarHBondContact O-N 3.04Å; T292-N294 PolarHBondContact O-ND2 3.33Å; T292-Y297 HydrophobicContact CG2-CE2 4.14Å; T292-D317 HydrophobicContact CG2-CB 3.67Å; T292-D317 VanDerWaalsContact CG2-CG 3.45Å; T292-D317 WeakPolarHBondContact CG2-OD1 3.03Å; T292-D317 PolarHBondContact N-OD1 2.59Å
293	D	97.7	Very high	97.3	Very high	84 Å²	84	55.3 Å²	55.3	45%	0.449	26%	0.262	S	S	.	.	S	Bend	trans	61.1	35.2	-178.8	-43.6	-35.5	0	0	0	113.3	R267 E268 N269	R267-D293 IonicContact CZ-OD2 2.82Å; R267-D293 IonicContact NE-OD2 2.74Å; R267-D293 PolarHBondContact NE-OD2 2.95Å; R267-D293 IonicContact NH2-OD1 2.63Å; R267-D293 IonicContact NH2-OD2 3.92Å; R267-D293 PolarHBondContact NH2-OD2 3.49Å; E268-D293 WeakPolarHBondContact CA-O 3.49Å; E268-D293 HydrophobicContact CB-CB 4.05Å; E268-D293 HydrophobicContact CG-CB 4.45Å; E268-D293 PolarHBondContact N-O 3.08Å; N269-D293 PolarHBondContact N-O 3.47Å
294	N	98.4	Very high	97.3	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.032	27%	0.267	C	S	.	.	S	Bend	trans	-121.2	152.9	165.9	-76.2	-96.5	0	0	0	109.7	V266 N269 Q270 I271 L291 T292 V296 Y297	V266-N294 PolarHBondContact O-ND2 2.65Å; N269-N294 VanDerWaalsContact CA-OD1 3.24Å; N269-N294 WeakPolarHBondContact CA-OD1 3.43Å; N269-N294 WeakPolarHBondContact CB-OD1 3.48Å; N269-N294 PolarHBondContact N-OD1 2.89Å; N269-N294 PolarHBondContact O-OD1 2.63Å; Q270-N294 PolarHBondContact N-OD1 3.46Å; I271-N294 HydrophobicContact CB-CB 4.25Å; I271-N294 WeakPolarHBondContact CB-OD1 3.21Å; I271-N294 WeakPolarHBondContact CG1-OD1 2.99Å; I271-N294 PolarHBondContact N-OD1 2.79Å; L291-N294 WeakPolarHBondContact O-CB 3.3Å; L291-N294 PolarHBondContact O-N 3.06Å; L291-N294 PolarHBondContact O-ND2 2.87Å; T292-N294 VanDerWaalsContact C-N 3.31Å; T292-N294 PolarHBondContact O-N 3.04Å; T292-N294 PolarHBondContact O-ND2 3.33Å; N294-V296 HydrophobicContact CB-CG1 3.98Å; N294-V296 PolarHBondContact O-N 2.94Å; N294-V296 VanDerWaalsContact O-N 3.12Å; N294-Y297 WeakPolarHBondContact O-CB 3.19Å; N294-Y297 PolarHBondContact O-N 3.48Å
295	P	98.1	Very high	97.5	Very high	57 Å²	57	50.3 Å²	50.3	37%	0.37	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-58.9	-27.2	179.8	-20	27.7	0	0	0	114.7	I271 Y297 D298	I271-P295 WeakPolarHBondContact O-CD 3.33Å; P295-Y297 PolarHBondContact O-N 3.39Å; P295-Y297 VanDerWaalsContact O-N 3.15Å; P295-D298 PolarHBondContact O-N 2.85Å
296	V	97.4	Very high	97.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-59.7	-22.3	173.5	68.1	0	0	0	0	113.4	I271 L274 I277 L291 N294 D298 V299 Y302	I271-V296 HydrophobicContact CB-CG1 4.49Å; I271-V296 HydrophobicContact CG2-CG1 4.24Å; I271-V296 WeakPolarHBondContact O-CB 3.36Å; I271-V296 PolarHBondContact O-N 2.89Å; L274-V296 HydrophobicContact CD2-CG2 4.18Å; I277-V296 HydrophobicContact CG1-CG2 4.15Å; L291-V296 HydrophobicContact CD2-CG1 4.06Å; N294-V296 HydrophobicContact CB-CG1 3.98Å; N294-V296 PolarHBondContact O-N 2.94Å; N294-V296 VanDerWaalsContact O-N 3.12Å; V296-D298 PolarHBondContact O-N 2.96Å; V296-V299 HydrophobicContact CG2-CG2 4.22Å; V296-V299 WeakPolarHBondContact O-CB 3.2Å; V296-V299 VanDerWaalsContact O-CG2 3.29Å; V296-V299 WeakPolarHBondContact O-CG2 3.26Å; V296-V299 PolarHBondContact O-N 3.42Å; V296-Y302 HydrophobicContact CG1-CE2 4.25Å; V296-Y302 HydrophobicContact CG2-CD2 4.44Å; V296-Y302 HydrophobicContact CG2-CE2 4.38Å; V296-Y302 WeakPolarHBondContact O-CD2 3.03Å
297	Y	96.4	Very high	97.5	Very high	118 Å²	118	45.4 Å²	45.4	46%	0.463	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-62.7	-27.7	177.8	-169.4	-91.8	0	0	0	112.7	T292 N294 P295 V299 Y302	T292-Y297 HydrophobicContact CG2-CE2 4.14Å; N294-Y297 WeakPolarHBondContact O-CB 3.19Å; N294-Y297 PolarHBondContact O-N 3.48Å; P295-Y297 PolarHBondContact O-N 3.39Å; P295-Y297 VanDerWaalsContact O-N 3.15Å; Y297-V299 VanDerWaalsContact C-N 3.28Å; Y297-V299 PolarHBondContact O-N 2.82Å; Y297-Y302 HydrophobicContact CD2-CD1 4.09Å; Y297-Y302 AromaticContact CD2-CE1 3.58Å; Y297-Y302 HydrophobicContact CD2-CE1 3.58Å; Y297-Y302 AromaticContact CD2-CZ 3.94Å; Y297-Y302 HydrophobicContact CE2-CD1 4.31Å; Y297-Y302 AromaticContact CE2-CE1 3.87Å; Y297-Y302 HydrophobicContact CE2-CE1 3.87Å; Y297-Y302 HydrophobicContact CG-CE1 4.47Å
298	D	96.3	Very high	97.4	Very high	140 Å²	140	43.6 Å²	43.6	75%	0.749	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-84.9	0.7	-179.2	-61.4	-42.7	0	0	0	113.2	P295 V296	P295-D298 PolarHBondContact O-N 2.85Å; V296-D298 PolarHBondContact O-N 2.96Å
299	V	96.2	Very high	97.2	Very high	46 Å²	46	43.3 Å²	43.3	28%	0.279	22%	0.215	S	C	.	.	S	Bend	trans	-65.3	135.8	175.8	174.4	0	0	0	0	109.6	L274 V296 Y297 D301 Y302	L274-V299 HydrophobicContact CD1-CG1 3.93Å; L274-V299 HydrophobicContact CG-CG1 4.21Å; V296-V299 HydrophobicContact CG2-CG2 4.22Å; V296-V299 WeakPolarHBondContact O-CB 3.2Å; V296-V299 VanDerWaalsContact O-CG2 3.29Å; V296-V299 WeakPolarHBondContact O-CG2 3.26Å; V296-V299 PolarHBondContact O-N 3.42Å; Y297-V299 VanDerWaalsContact C-N 3.28Å; Y297-V299 PolarHBondContact O-N 2.82Å; V299-D301 PolarHBondContact O-N 2.99Å; V299-Y302 WeakPolarHBondContact O-CA 3.48Å; V299-Y302 WeakPolarHBondContact O-CB 3.46Å; V299-Y302 PolarHBondContact O-N 3.08Å; V299-Y302 VanDerWaalsContact O-N 3.09Å
300	K	96.3	Very high	97.2	Very high	167 Å²	167	43.8 Å²	43.8	73%	0.726	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	136.1	175.4	-168.1	-165.4	169.2	-164.2	0	109.8	Y302	K300-Y302 PolarHBondContact O-N 3.3Å
301	D	96	Very high	97	Very high	87 Å²	87	46.8 Å²	46.8	47%	0.465	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	29.3	-179.8	-48.8	-41.3	0	0	0	112.5	V299 R303 L304 E305	V299-D301 PolarHBondContact O-N 2.99Å; D301-R303 VanDerWaalsContact C-N 3.33Å; D301-R303 PolarHBondContact O-N 3.48Å; D301-R303 VanDerWaalsContact O-N 3.09Å; D301-L304 HydrophobicContact CB-CB 4.34Å; D301-L304 WeakPolarHBondContact O-CA 3.25Å; D301-L304 WeakPolarHBondContact O-CB 3.34Å; D301-L304 PolarHBondContact O-N 3.37Å; D301-E305 HydrophobicContact CB-CG 4.44Å; D301-E305 PolarHBondContact O-N 3.21Å
302	Y	97.5	Very high	96.8	Very high	15 Å²	15	50.7 Å²	50.7	6%	0.059	26%	0.257	C	S	.	.	H	α-helix	trans	-40.6	-50.8	-173.6	160.6	-108.5	0	0	0	114.9	L291 V296 Y297 V299 K300 E305 V306 L316 D317	L291-Y302 WeakPolarHBondContact CB-OH 3.44Å; V296-Y302 HydrophobicContact CG1-CE2 4.25Å; V296-Y302 HydrophobicContact CG2-CD2 4.44Å; V296-Y302 HydrophobicContact CG2-CE2 4.38Å; V296-Y302 WeakPolarHBondContact O-CD2 3.03Å; Y297-Y302 HydrophobicContact CD2-CD1 4.09Å; Y297-Y302 AromaticContact CD2-CE1 3.58Å; Y297-Y302 HydrophobicContact CD2-CE1 3.58Å; Y297-Y302 AromaticContact CD2-CZ 3.94Å; Y297-Y302 HydrophobicContact CE2-CD1 4.31Å; Y297-Y302 AromaticContact CE2-CE1 3.87Å; Y297-Y302 HydrophobicContact CE2-CE1 3.87Å; Y297-Y302 HydrophobicContact CG-CE1 4.47Å; V299-Y302 WeakPolarHBondContact O-CA 3.48Å; V299-Y302 WeakPolarHBondContact O-CB 3.46Å; V299-Y302 PolarHBondContact O-N 3.08Å; V299-Y302 VanDerWaalsContact O-N 3.09Å; K300-Y302 PolarHBondContact O-N 3.3Å; Y302-E305 PolarHBondContact O-N 2.8Å; Y302-V306 HydrophobicContact CD2-CG2 3.76Å; Y302-V306 HydrophobicContact CE2-CG2 3.5Å; Y302-V306 WeakPolarHBondContact O-CB 3.39Å; Y302-V306 VanDerWaalsContact O-CG2 3.25Å; Y302-V306 WeakPolarHBondContact O-CG2 3.24Å; Y302-V306 PolarHBondContact O-N 3.05Å; Y302-L316 HydrophobicContact CD1-CD2 4.41Å; Y302-L316 HydrophobicContact CE1-CD2 3.72Å; Y302-L316 HydrophobicContact CE1-CG 4.33Å; Y302-D317 VanDerWaalsContact CE1-OD2 3.31Å; Y302-D317 WeakPolarHBondContact CE1-OD2 3.31Å; Y302-D317 PolarHBondContact OH-OD2 3.04Å
303	R	97.3	Very high	96.8	Very high	61 Å²	61	50 Å²	50	23%	0.23	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-49	180	-70.2	-179.3	57.8	81.5	-1.8	111.5	D301 E305 V306 R307 L316 Y321 E325	D301-R303 VanDerWaalsContact C-N 3.33Å; D301-R303 PolarHBondContact O-N 3.48Å; D301-R303 VanDerWaalsContact O-N 3.09Å; R303-E305 PolarHBondContact O-N 3.37Å; R303-V306 PolarHBondContact O-N 3.07Å; R303-R307 WeakPolarHBondContact O-CB 3.42Å; R303-R307 PolarHBondContact O-N 3.42Å; R303-L316 HydrophobicContact CB-CD2 4.32Å; R303-L316 HydrophobicContact CG-CD2 4.04Å; R303-L316 PolarHBondContact NH1-O 3.08Å; R303-Y321 HydrophobicContact CB-CE1 4.28Å; R303-Y321 PolarHBondContact O-OH 2.76Å; R303-E325 IonicContact CZ-OE1 2.72Å; R303-E325 IonicContact NE-OE1 3.43Å; R303-E325 PolarHBondContact NE-OE1 3.07Å; R303-E325 IonicContact NH2-OE1 3.01Å; R303-E325 PolarHBondContact NH2-OE1 3.27Å; R303-E325 IonicContact NH2-OE2 3.24Å; R303-E325 PolarHBondContact NH2-OE2 3.38Å; R303-E325 VanDerWaalsContact NH2-OE2 3.1Å
304	L	97.3	Very high	96.8	Very high	28 Å²	28	54.1 Å²	54.1	15%	0.147	26%	0.262	C	S	.	.	H	α-helix	trans	-59.9	-47.9	178.9	-175.1	65.1	0	0	0	110.5	D301 V306 R307 V308 E328 A329 L332	D301-L304 HydrophobicContact CB-CB 4.34Å; D301-L304 WeakPolarHBondContact O-CA 3.25Å; D301-L304 WeakPolarHBondContact O-CB 3.34Å; D301-L304 PolarHBondContact O-N 3.37Å; L304-V306 PolarHBondContact O-N 3.08Å; L304-R307 PolarHBondContact O-N 3.49Å; L304-V308 WeakPolarHBondContact O-CG2 3.25Å; L304-V308 PolarHBondContact O-N 2.91Å; L304-E328 HydrophobicContact CD1-CB 4.02Å; L304-E328 HydrophobicContact CD1-CG 3.77Å; L304-E328 HydrophobicContact CD2-CG 4.2Å; L304-A329 HydrophobicContact CD1-CB 3.78Å; L304-L332 HydrophobicContact CD2-CD2 3.76Å; L304-L332 HydrophobicContact CG-CD2 3.96Å
305	E	97.4	Very high	96.8	Very high	27 Å²	27	58.5 Å²	58.5	13%	0.126	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-42.4	178.9	-70.3	-65.9	168.7	0	0	113.5	L274 D301 Y302 R303 R307 V308 C309 R336	L274-E305 HydrophobicContact CD1-CB 3.64Å; L274-E305 HydrophobicContact CD1-CG 3.89Å; L274-E305 HydrophobicContact CD2-CB 3.79Å; L274-E305 HydrophobicContact CG-CB 4.37Å; D301-E305 HydrophobicContact CB-CG 4.44Å; D301-E305 PolarHBondContact O-N 3.21Å; Y302-E305 PolarHBondContact O-N 2.8Å; R303-E305 PolarHBondContact O-N 3.37Å; E305-R307 VanDerWaalsContact C-N 3.34Å; E305-V308 PolarHBondContact O-N 3.35Å; E305-C309 PolarHBondContact O-N 3.33Å; E305-C309 VanDerWaalsContact O-N 3.08Å; E305-C309 PolarHBondContact O-SG 2.86Å; E305-R336 VanDerWaalsContact CD-NH2 3.34Å; E305-R336 IonicContact OE1-CZ 3.87Å; E305-R336 IonicContact OE1-NH1 2.96Å; E305-R336 IonicContact OE1-NH2 2.85Å; E305-R336 PolarHBondContact OE1-NH2 3.16Å; E305-R336 IonicContact OE2-CZ 3.61Å; E305-R336 IonicContact OE2-NH1 3.46Å; E305-R336 PolarHBondContact OE2-NH1 2.84Å; E305-R336 IonicContact OE2-NH2 3.07Å; E305-R336 PolarHBondContact OE2-NH2 2.93Å
306	V	97.7	Very high	96.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-40.9	175.4	169.9	0	0	0	0	110.5	L274 I277 Y302 R303 L304 C309 L310 L313 L316	L274-V306 HydrophobicContact CD2-CG2 4.21Å; I277-V306 HydrophobicContact CG2-CG1 4.26Å; I277-V306 HydrophobicContact CG2-CG2 4.47Å; Y302-V306 HydrophobicContact CD2-CG2 3.76Å; Y302-V306 HydrophobicContact CE2-CG2 3.5Å; Y302-V306 WeakPolarHBondContact O-CB 3.39Å; Y302-V306 VanDerWaalsContact O-CG2 3.25Å; Y302-V306 WeakPolarHBondContact O-CG2 3.24Å; Y302-V306 PolarHBondContact O-N 3.05Å; R303-V306 PolarHBondContact O-N 3.07Å; L304-V306 PolarHBondContact O-N 3.08Å; V306-C309 PolarHBondContact O-N 3.13Å; V306-L310 HydrophobicContact CG1-CD1 4.24Å; V306-L310 WeakPolarHBondContact O-CB 3.43Å; V306-L310 PolarHBondContact O-N 2.92Å; V306-L313 HydrophobicContact CG1-CD2 3.83Å; V306-L316 HydrophobicContact CB-CD2 3.99Å; V306-L316 HydrophobicContact CG1-CD1 4.07Å; V306-L316 HydrophobicContact CG1-CD2 3.94Å; V306-L316 HydrophobicContact CG2-CD2 4.38Å
307	R	97.5	Very high	96.8	Very high	13 Å²	13	56.5 Å²	56.5	5%	0.049	26%	0.264	C	S	.	.	H	α-helix	trans	-67	-35.1	177.2	-177.9	50.6	-172.9	63.1	10.3	112.9	R303 L304 E305 C309 L310 V311 Y321 N326 A329 D330	R303-R307 WeakPolarHBondContact O-CB 3.42Å; R303-R307 PolarHBondContact O-N 3.42Å; L304-R307 PolarHBondContact O-N 3.49Å; E305-R307 VanDerWaalsContact C-N 3.34Å; R307-C309 VanDerWaalsContact C-N 3.33Å; R307-L310 CarbonylContact O-C 3.46Å; R307-L310 PolarHBondContact O-N 3.08Å; R307-V311 VanDerWaalsContact CZ-O 3.3Å; R307-V311 PolarHBondContact NH2-O 3.04Å; R307-Y321 HydrophobicContact CB-CD1 4.39Å; R307-Y321 HydrophobicContact CB-CE1 3.73Å; R307-Y321 HydrophobicContact CB-CE2 4.25Å; R307-Y321 HydrophobicContact CG-CD1 4.35Å; R307-Y321 HydrophobicContact CG-CE1 4.17Å; R307-N326 VanDerWaalsContact CZ-OD1 3.3Å; R307-N326 PolarHBondContact NE-OD1 3.12Å; R307-N326 PolarHBondContact NH2-OD1 3.05Å; R307-N326 VanDerWaalsContact NH2-OD1 3.09Å; R307-A329 HydrophobicContact CB-CB 3.92Å; R307-A329 HydrophobicContact CG-CB 3.46Å; R307-A329 VanDerWaalsContact CG-CB 3.46Å; R307-D330 IonicContact CZ-OD1 3.69Å; R307-D330 IonicContact NH1-OD1 2.68Å; R307-D330 PolarHBondContact NH1-OD1 3.12Å; R307-D330 IonicContact NH2-OD1 2.66Å; R307-D330 PolarHBondContact NH2-OD1 3.09Å; R307-D330 IonicContact NH2-OD2 3.62Å
308	V	96.5	Very high	96.7	Very high	24 Å²	24	57.5 Å²	57.5	15%	0.145	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-42.3	171.2	169	0	0	0	0	110.7	L304 E305 A329 L332 A333	L304-V308 WeakPolarHBondContact O-CG2 3.25Å; L304-V308 PolarHBondContact O-N 2.91Å; E305-V308 PolarHBondContact O-N 3.35Å; V308-A329 HydrophobicContact CG2-CB 4.12Å; V308-A329 WeakPolarHBondContact CG2-O 3.31Å; V308-L332 HydrophobicContact CG2-CB 4.2Å; V308-L332 HydrophobicContact CG2-CD2 4.06Å; V308-L332 HydrophobicContact CG2-CG 4.24Å; V308-A333 HydrophobicContact CG1-CB 4.15Å
309	C	95.7	Very high	96.8	Very high	11 Å²	11	55.5 Å²	55.5	7%	0.074	26%	0.26	C	S	.	.	H	α-helix	trans	-70.4	-38.4	177.8	-63.5	0	0	0	0	112.6	I277 K278 T281 E305 V306 R307	I277-C309 HydrophobicContact CG2-CB 4.06Å; K278-C309 HydrophobicContact CG-CB 4.31Å; T281-C309 WeakPolarHBondContact CG2-O 3.5Å; T281-C309 PolarHBondContact OG1-O 3.05Å; E305-C309 PolarHBondContact O-N 3.33Å; E305-C309 VanDerWaalsContact O-N 3.08Å; E305-C309 PolarHBondContact O-SG 2.86Å; V306-C309 PolarHBondContact O-N 3.13Å; R307-C309 VanDerWaalsContact C-N 3.33Å
310	L	96.7	Very high	96.8	Very high	9 Å²	9	58.3 Å²	58.3	5%	0.047	27%	0.272	C	S	.	.			trans	-117.3	74.8	-172.2	-55.1	-176.6	0	0	0	111.4	I277 L280 L286 V289 V306 R307 N312 L313	I277-L310 HydrophobicContact CG2-CD1 3.78Å; I277-L310 HydrophobicContact CG2-CD2 4.31Å; I277-L310 HydrophobicContact CG2-CG 3.87Å; L280-L310 HydrophobicContact CB-CD1 4.48Å; L280-L310 HydrophobicContact CB-CD2 3.73Å; L280-L310 HydrophobicContact CD1-CD1 4.44Å; L286-L310 HydrophobicContact CD2-CD1 4.42Å; V289-L310 HydrophobicContact CG2-CD1 4.25Å; V306-L310 HydrophobicContact CG1-CD1 4.24Å; V306-L310 WeakPolarHBondContact O-CB 3.43Å; V306-L310 PolarHBondContact O-N 2.92Å; R307-L310 CarbonylContact O-C 3.46Å; R307-L310 PolarHBondContact O-N 3.08Å; L310-N312 PolarHBondContact O-N 2.98Å; L310-L313 HydrophobicContact CB-CB 3.91Å; L310-L313 HydrophobicContact CB-CD2 4.31Å; L310-L313 HydrophobicContact CD1-CD2 4.18Å; L310-L313 WeakPolarHBondContact O-CB 3.44Å; L310-L313 PolarHBondContact O-N 2.73Å
311	V	94.8	Very high	96.9	Very high	70 Å²	70	51 Å²	51	42%	0.424	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-27.2	-174.8	-98	0	0	0	0	115.8	R307	R307-V311 VanDerWaalsContact CZ-O 3.3Å; R307-V311 PolarHBondContact NH2-O 3.04Å
312	N	94.5	Very high	97	Very high	83 Å²	83	49.9 Å²	49.9	44%	0.444	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	5.2	-179.1	-64.9	-63.3	0	0	0	114	R287 L310 R314	R287-N312 WeakPolarHBondContact CD-O 3.22Å; L310-N312 PolarHBondContact O-N 2.98Å; N312-R314 PolarHBondContact O-N 3.43Å
313	L	97.4	Very high	96.9	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.026	26%	0.26	C	S	.	.			trans	-73	126.1	-176	-167.2	67.8	0	0	0	110.6	V289 V306 L310 L316 Y321	V289-L313 HydrophobicContact CB-CD1 3.98Å; V289-L313 HydrophobicContact CG2-CD1 3.6Å; V306-L313 HydrophobicContact CG1-CD2 3.83Å; L310-L313 HydrophobicContact CB-CB 3.91Å; L310-L313 HydrophobicContact CB-CD2 4.31Å; L310-L313 HydrophobicContact CD1-CD2 4.18Å; L310-L313 WeakPolarHBondContact O-CB 3.44Å; L310-L313 PolarHBondContact O-N 2.73Å; L313-L316 HydrophobicContact CD2-CB 4.23Å; L313-L316 HydrophobicContact CD2-CD1 4.39Å; L313-Y321 HydrophobicContact CB-CE2 4.41Å; L313-Y321 HydrophobicContact CD2-CE2 3.81Å; L313-Y321 HydrophobicContact CG-CE2 4.07Å
314	R	97.5	Very high	96.9	Very high	169 Å²	169	56.4 Å²	56.4	64%	0.638	28%	0.277	S	S	*	.			trans	-97.4	-31.8	178.7	-67.1	-177.4	-179.1	174.3	-1.1	112.9	R287 N312 I320 Y321	R287-R314 HydrophobicContact CB-CG 4.48Å; R287-R314 WeakPolarHBondContact O-CA 3.35Å; R287-R314 PolarHBondContact O-N 3.1Å; N312-R314 PolarHBondContact O-N 3.43Å; R314-I320 WeakPolarHBondContact O-CA 3.42Å; R314-Y321 PolarHBondContact O-N 3.04Å
315	R	98.3	Very high	96.9	Very high	98 Å²	98	57.3 Å²	57.3	37%	0.37	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	128.6	-174.4	-178.2	179.1	-74.1	144.8	-0.9	110.5	R287 T288 V289 K318 D319	R287-R315 PolarHBondContact O-N 2.8Å; T288-R315 WeakPolarHBondContact CA-O 3.38Å; T288-R315 HydrophobicContact CG2-CB 4.08Å; T288-R315 HydrophobicContact CG2-CG 4.05Å; V289-R315 PolarHBondContact N-O 3.12Å; V289-R315 VanDerWaalsContact N-O 3.1Å; R315-K318 WeakPolarHBondContact CD-O 3.39Å; R315-K318 PolarHBondContact NE-O 2.86Å; R315-D319 CarbonylContact C-O 3.45Å; R315-D319 VanDerWaalsContact CA-O 3.26Å; R315-D319 WeakPolarHBondContact CA-O 3.43Å; R315-D319 VanDerWaalsContact CG-O 3.31Å; R315-D319 WeakPolarHBondContact CG-O 3.3Å
316	L	98.4	Very high	96.9	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.4	171.5	179.7	61.9	0	0	0	108.3	V289 L291 Y302 R303 V306 L313 K318 D319 Y321	V289-L316 HydrophobicContact CB-CD1 4.46Å; V289-L316 WeakPolarHBondContact O-CA 3.16Å; L291-L316 HydrophobicContact CD1-CD1 4.1Å; Y302-L316 HydrophobicContact CD1-CD2 4.41Å; Y302-L316 HydrophobicContact CE1-CD2 3.72Å; Y302-L316 HydrophobicContact CE1-CG 4.33Å; R303-L316 HydrophobicContact CB-CD2 4.32Å; R303-L316 HydrophobicContact CG-CD2 4.04Å; R303-L316 PolarHBondContact NH1-O 3.08Å; V306-L316 HydrophobicContact CB-CD2 3.99Å; V306-L316 HydrophobicContact CG1-CD1 4.07Å; V306-L316 HydrophobicContact CG1-CD2 3.94Å; V306-L316 HydrophobicContact CG2-CD2 4.38Å; L313-L316 HydrophobicContact CD2-CB 4.23Å; L313-L316 HydrophobicContact CD2-CD1 4.39Å; L316-K318 PolarHBondContact O-N 2.9Å; L316-K318 VanDerWaalsContact O-N 3.15Å; L316-D319 PolarHBondContact N-O 3.05Å; L316-D319 PolarHBondContact O-N 3.08Å; L316-D319 VanDerWaalsContact O-O 3.1Å; L316-Y321 HydrophobicContact CB-CE2 3.77Å; L316-Y321 WeakPolarHBondContact CD2-OH 3.48Å
317	D	97.5	Very high	96.9	Very high	15 Å²	15	63.2 Å²	63.2	8%	0.08	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	32.4	171.6	-67.4	-37.1	0	0	0	115.6	V289 I290 L291 T292 Y302 D319	V289-D317 PolarHBondContact O-N 3.27Å; I290-D317 WeakPolarHBondContact CA-OD1 3.38Å; L291-D317 PolarHBondContact N-OD1 3.13Å; T292-D317 HydrophobicContact CG2-CB 3.67Å; T292-D317 VanDerWaalsContact CG2-CG 3.45Å; T292-D317 WeakPolarHBondContact CG2-OD1 3.03Å; T292-D317 PolarHBondContact N-OD1 2.59Å; Y302-D317 VanDerWaalsContact CE1-OD2 3.31Å; Y302-D317 WeakPolarHBondContact CE1-OD2 3.31Å; Y302-D317 PolarHBondContact OH-OD2 3.04Å; D317-D319 VanDerWaalsContact C-N 3.3Å
318	K	94.2	Very high	96.9	Very high	139 Å²	139	67.9 Å²	67.9	60%	0.604	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-14.6	-176.1	-52.5	171.7	-179	176.4	0	114.9	I290 R315 L316	I290-K318 HydrophobicContact CD1-CG 4.44Å; R315-K318 WeakPolarHBondContact CD-O 3.39Å; R315-K318 PolarHBondContact NE-O 2.86Å; L316-K318 PolarHBondContact O-N 2.9Å; L316-K318 VanDerWaalsContact O-N 3.15Å
319	D	97.3	Very high	96.9	Very high	99 Å²	99	66.7 Å²	66.7	53%	0.529	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.6	-179.9	-58.3	-42.5	0	0	0	111.4	R315 L316 D317	R315-D319 CarbonylContact C-O 3.45Å; R315-D319 VanDerWaalsContact CA-O 3.26Å; R315-D319 WeakPolarHBondContact CA-O 3.43Å; R315-D319 VanDerWaalsContact CG-O 3.31Å; R315-D319 WeakPolarHBondContact CG-O 3.3Å; L316-D319 PolarHBondContact N-O 3.05Å; L316-D319 PolarHBondContact O-N 3.08Å; L316-D319 VanDerWaalsContact O-O 3.1Å; D317-D319 VanDerWaalsContact C-N 3.3Å
320	I	97.9	Very high	96.9	Very high	104 Å²	104	69 Å²	69	53%	0.533	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	139.1	177.9	-58.8	172.8	0	0	0	107.9	R314	R314-I320 WeakPolarHBondContact O-CA 3.42Å
321	Y	97.8	Very high	96.9	Very high	13 Å²	13	74.4 Å²	74.4	5%	0.051	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-67.2	131.3	170.5	-77.7	-74.6	0	0	0	110.9	R303 R307 L313 R314 L316 E325	R303-Y321 HydrophobicContact CB-CE1 4.28Å; R303-Y321 PolarHBondContact O-OH 2.76Å; R307-Y321 HydrophobicContact CB-CD1 4.39Å; R307-Y321 HydrophobicContact CB-CE1 3.73Å; R307-Y321 HydrophobicContact CB-CE2 4.25Å; R307-Y321 HydrophobicContact CG-CD1 4.35Å; R307-Y321 HydrophobicContact CG-CE1 4.17Å; L313-Y321 HydrophobicContact CB-CE2 4.41Å; L313-Y321 HydrophobicContact CD2-CE2 3.81Å; L313-Y321 HydrophobicContact CG-CE2 4.07Å; R314-Y321 PolarHBondContact O-N 3.04Å; L316-Y321 HydrophobicContact CB-CE2 3.77Å; L316-Y321 WeakPolarHBondContact CD2-OH 3.48Å; Y321-E325 VanDerWaalsContact CA-OE2 3.29Å; Y321-E325 WeakPolarHBondContact CA-OE2 3.44Å; Y321-E325 HydrophobicContact CD1-CB 3.93Å
322	T	97.4	Very high	97	Very high	64 Å²	64	72.9 Å²	72.9	39%	0.393	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-75	168.5	172.7	80	0	0	0	0	111.2	E324 E325 N326	T322-E324 VanDerWaalsContact C-N 3.28Å; T322-E324 WeakPolarHBondContact CB-OE2 3.43Å; T322-E324 PolarHBondContact O-N 3.01Å; T322-E324 PolarHBondContact OG1-N 3.31Å; T322-E324 PolarHBondContact OG1-OE2 3Å; T322-E325 PolarHBondContact N-OE2 2.91Å; T322-E325 PolarHBondContact OG1-N 2.93Å; T322-N326 PolarHBondContact O-N 3.14Å; T322-N326 PolarHBondContact O-ND2 2.89Å
323	T	96.6	Very high	96.9	Very high	91 Å²	91	69.7 Å²	69.7	56%	0.558	34%	0.336	S	S	*	.	H	α-helix	trans	-60.5	-42.5	176.2	-54.5	0	0	0	0	110.8	N326 E327	T323-N326 WeakPolarHBondContact O-CB 3.29Å; T323-N326 PolarHBondContact O-N 3.15Å; T323-E327 WeakPolarHBondContact CG2-OE1 3.24Å; T323-E327 WeakPolarHBondContact O-CG 3.18Å; T323-E327 PolarHBondContact O-N 3.14Å
324	E	97.1	Very high	96.7	Very high	123 Å²	123	75.6 Å²	75.6	58%	0.575	37%	0.365	S	S	*	.	H	α-helix	trans	-65.2	-44.3	-178.8	-55.2	75.5	-165.2	0	0	111.6	T322 N326 E327 E328	T322-E324 VanDerWaalsContact C-N 3.28Å; T322-E324 WeakPolarHBondContact CB-OE2 3.43Å; T322-E324 PolarHBondContact O-N 3.01Å; T322-E324 PolarHBondContact OG1-N 3.31Å; T322-E324 PolarHBondContact OG1-OE2 3Å; E324-N326 VanDerWaalsContact C-N 3.26Å; E324-N326 PolarHBondContact O-N 3.06Å; E324-E327 PolarHBondContact O-N 3.04Å; E324-E328 WeakPolarHBondContact O-CB 3.38Å; E324-E328 PolarHBondContact O-N 3.03Å
325	E	97.1	Very high	96.5	Very high	46 Å²	46	73.5 Å²	73.5	22%	0.215	36%	0.362	C	S	.	.	H	α-helix	trans	-61.8	-35.5	175.4	-70.7	179.5	117	0	0	111.8	R303 Y321 T322 A329	R303-E325 IonicContact CZ-OE1 2.72Å; R303-E325 IonicContact NE-OE1 3.43Å; R303-E325 PolarHBondContact NE-OE1 3.07Å; R303-E325 IonicContact NH2-OE1 3.01Å; R303-E325 PolarHBondContact NH2-OE1 3.27Å; R303-E325 IonicContact NH2-OE2 3.24Å; R303-E325 PolarHBondContact NH2-OE2 3.38Å; R303-E325 VanDerWaalsContact NH2-OE2 3.1Å; Y321-E325 VanDerWaalsContact CA-OE2 3.29Å; Y321-E325 WeakPolarHBondContact CA-OE2 3.44Å; Y321-E325 HydrophobicContact CD1-CB 3.93Å; T322-E325 PolarHBondContact N-OE2 2.91Å; T322-E325 PolarHBondContact OG1-N 2.93Å; E325-A329 WeakPolarHBondContact O-CB 3.44Å; E325-A329 PolarHBondContact O-N 2.96Å; E325-A329 VanDerWaalsContact O-N 3.11Å
326	N	97.3	Very high	96.2	Very high	38 Å²	38	75.1 Å²	75.1	20%	0.203	37%	0.368	C	S	.	.	H	α-helix	trans	-69.6	-44.9	176.8	-74.8	-62.8	0	0	0	111.3	R307 T322 T323 E324 A329 D330	R307-N326 VanDerWaalsContact CZ-OD1 3.3Å; R307-N326 PolarHBondContact NE-OD1 3.12Å; R307-N326 PolarHBondContact NH2-OD1 3.05Å; R307-N326 VanDerWaalsContact NH2-OD1 3.09Å; T322-N326 PolarHBondContact O-N 3.14Å; T322-N326 PolarHBondContact O-ND2 2.89Å; T323-N326 WeakPolarHBondContact O-CB 3.29Å; T323-N326 PolarHBondContact O-N 3.15Å; E324-N326 VanDerWaalsContact C-N 3.26Å; E324-N326 PolarHBondContact O-N 3.06Å; N326-A329 PolarHBondContact O-N 3.01Å; N326-D330 WeakPolarHBondContact O-CB 3.46Å; N326-D330 PolarHBondContact O-N 3.06Å
327	E	97.1	Very high	95.6	Very high	113 Å²	113	82.7 Å²	82.7	53%	0.528	41%	0.405	S	S	.	.	H	α-helix	trans	-61	-47	177.7	-72.6	172	177.3	0	0	111.1	T323 E324 A329 D330 E331	T323-E327 WeakPolarHBondContact CG2-OE1 3.24Å; T323-E327 WeakPolarHBondContact O-CG 3.18Å; T323-E327 PolarHBondContact O-N 3.14Å; E324-E327 PolarHBondContact O-N 3.04Å; E327-A329 VanDerWaalsContact C-N 3.34Å; E327-A329 PolarHBondContact O-N 3.06Å; E327-D330 PolarHBondContact O-N 2.97Å; E327-E331 WeakPolarHBondContact O-CG 3.43Å; E327-E331 PolarHBondContact O-N 3.34Å
328	E	97.4	Very high	94.6	Very high	111 Å²	111	88.6 Å²	88.6	52%	0.519	43%	0.433	S	S	.	.	H	α-helix	trans	-59.7	-43.1	176.4	-171.4	-175.8	-177.3	0	0	111.9	L304 E324 L332	L304-E328 HydrophobicContact CD1-CB 4.02Å; L304-E328 HydrophobicContact CD1-CG 3.77Å; L304-E328 HydrophobicContact CD2-CG 4.2Å; E324-E328 WeakPolarHBondContact O-CB 3.38Å; E324-E328 PolarHBondContact O-N 3.03Å; E328-L332 WeakPolarHBondContact O-CB 3.48Å; E328-L332 PolarHBondContact O-N 2.85Å
329	A	97.3	Very high	93.2	Very high	0 Å²	0	88.1 Å²	88.1	0%	0	44%	0.443	C	S	.	.	H	α-helix	trans	-64.9	-41	177.1	0	0	0	0	0	112.1	L304 R307 V308 E325 N326 E327 L332 A333	L304-A329 HydrophobicContact CD1-CB 3.78Å; R307-A329 HydrophobicContact CB-CB 3.92Å; R307-A329 HydrophobicContact CG-CB 3.46Å; R307-A329 VanDerWaalsContact CG-CB 3.46Å; V308-A329 HydrophobicContact CG2-CB 4.12Å; V308-A329 WeakPolarHBondContact CG2-O 3.31Å; E325-A329 WeakPolarHBondContact O-CB 3.44Å; E325-A329 PolarHBondContact O-N 2.96Å; E325-A329 VanDerWaalsContact O-N 3.11Å; N326-A329 PolarHBondContact O-N 3.01Å; E327-A329 VanDerWaalsContact C-N 3.34Å; E327-A329 PolarHBondContact O-N 3.06Å; A329-L332 PolarHBondContact O-N 3.22Å; A329-A333 WeakPolarHBondContact O-CB 3.18Å; A329-A333 PolarHBondContact O-N 2.92Å
330	D	96.5	Very high	91.2	Very high	59 Å²	59	93.5 Å²	93.5	32%	0.316	48%	0.48	S	S	.	.	H	α-helix	trans	-69.8	-39.6	-179.4	-66.4	-14.6	0	0	0	110.6	R307 N326 E327 A333 M334	R307-D330 IonicContact CZ-OD1 3.69Å; R307-D330 IonicContact NH1-OD1 2.68Å; R307-D330 PolarHBondContact NH1-OD1 3.12Å; R307-D330 IonicContact NH2-OD1 2.66Å; R307-D330 PolarHBondContact NH2-OD1 3.09Å; R307-D330 IonicContact NH2-OD2 3.62Å; N326-D330 WeakPolarHBondContact O-CB 3.46Å; N326-D330 PolarHBondContact O-N 3.06Å; E327-D330 PolarHBondContact O-N 2.97Å; D330-A333 PolarHBondContact O-N 2.97Å; D330-M334 WeakPolarHBondContact O-CG 3.17Å; D330-M334 PolarHBondContact O-N 2.97Å
331	E	96.4	Very high	90.9	Very high	123 Å²	123	93 Å²	93	58%	0.575	48%	0.477	S	S	*	.	H	α-helix	trans	-60.4	-47	171.2	-74.5	-176.1	-178.7	0	0	112	E327 A333 M334 Q335	E327-E331 WeakPolarHBondContact O-CG 3.43Å; E327-E331 PolarHBondContact O-N 3.34Å; E331-A333 VanDerWaalsContact C-N 3.31Å; E331-A333 PolarHBondContact O-N 3.39Å; E331-M334 PolarHBondContact O-N 2.93Å; E331-Q335 WeakPolarHBondContact O-CG 3.34Å; E331-Q335 PolarHBondContact O-N 3.32Å
332	L	95.6	Very high	90.5	Very high	37 Å²	37	97.2 Å²	97.2	19%	0.194	50%	0.5	C	S	.	.	H	α-helix	trans	-62.9	-39.3	178	-175.3	58.3	0	0	0	111.6	L304 V308 E328 A329 Q335 R336	L304-L332 HydrophobicContact CD2-CD2 3.76Å; L304-L332 HydrophobicContact CG-CD2 3.96Å; V308-L332 HydrophobicContact CG2-CB 4.2Å; V308-L332 HydrophobicContact CG2-CD2 4.06Å; V308-L332 HydrophobicContact CG2-CG 4.24Å; E328-L332 WeakPolarHBondContact O-CB 3.48Å; E328-L332 PolarHBondContact O-N 2.85Å; A329-L332 PolarHBondContact O-N 3.22Å; L332-Q335 PolarHBondContact O-N 2.95Å; L332-R336 WeakPolarHBondContact O-CG 3.32Å; L332-R336 PolarHBondContact O-N 2.85Å; L332-R336 VanDerWaalsContact O-N 3.15Å
333	A	93.8	Very high	90.2	Very high	17 Å²	17	99 Å²	99	14%	0.14	51%	0.506	C	S	.	.	H	α-helix	trans	-63.4	-43.1	174.7	0	0	0	0	0	111.6	V308 A329 D330 E331 R336 M337	V308-A333 HydrophobicContact CG1-CB 4.15Å; A329-A333 WeakPolarHBondContact O-CB 3.18Å; A329-A333 PolarHBondContact O-N 2.92Å; D330-A333 PolarHBondContact O-N 2.97Å; E331-A333 VanDerWaalsContact C-N 3.31Å; E331-A333 PolarHBondContact O-N 3.39Å; A333-R336 PolarHBondContact O-N 3.4Å; A333-M337 WeakPolarHBondContact O-CG 3.18Å; A333-M337 PolarHBondContact O-N 3.1Å; A333-M337 VanDerWaalsContact O-N 3.17Å
334	M	93.2	Very high	89.8	Confident	129 Å²	129	99.5 Å²	99.5	64%	0.635	50%	0.503	S	S	*	.	H	α-helix	trans	-63.1	-42.6	176.3	-71.7	-171.4	-165.1	0	0	112.2	D330 E331 R336 M337 Q338	D330-M334 WeakPolarHBondContact O-CG 3.17Å; D330-M334 PolarHBondContact O-N 2.97Å; E331-M334 PolarHBondContact O-N 2.93Å; M334-R336 VanDerWaalsContact C-N 3.27Å; M334-R336 PolarHBondContact O-N 2.98Å; M334-M337 PolarHBondContact O-N 2.51Å; M334-Q338 PolarHBondContact O-N 3.06Å
335	Q	93	Very high	89.3	Confident	125 Å²	125	98 Å²	98	58%	0.584	50%	0.498	S	S	*	.	H	α-helix	trans	-59.9	-38.3	176.4	-71	172.9	21.3	0	0	111.7	E331 L332 Q338	E331-Q335 WeakPolarHBondContact O-CG 3.34Å; E331-Q335 PolarHBondContact O-N 3.32Å; L332-Q335 PolarHBondContact O-N 2.95Å; Q335-Q338 PolarHBondContact O-N 3.14Å
336	R	91.5	Very high	88.8	Confident	131 Å²	131	101.5 Å²	101.5	49%	0.494	52%	0.517	S	S	.	.	H	α-helix	trans	-74.4	-20.3	178.5	-69.9	172.9	-178.1	-171.1	-1.2	114.4	E305 L332 A333 M334	E305-R336 VanDerWaalsContact CD-NH2 3.34Å; E305-R336 IonicContact OE1-CZ 3.87Å; E305-R336 IonicContact OE1-NH1 2.96Å; E305-R336 IonicContact OE1-NH2 2.85Å; E305-R336 PolarHBondContact OE1-NH2 3.16Å; E305-R336 IonicContact OE2-CZ 3.61Å; E305-R336 IonicContact OE2-NH1 3.46Å; E305-R336 PolarHBondContact OE2-NH1 2.84Å; E305-R336 IonicContact OE2-NH2 3.07Å; E305-R336 PolarHBondContact OE2-NH2 2.93Å; L332-R336 WeakPolarHBondContact O-CG 3.32Å; L332-R336 PolarHBondContact O-N 2.85Å; L332-R336 VanDerWaalsContact O-N 3.15Å; A333-R336 PolarHBondContact O-N 3.4Å; M334-R336 VanDerWaalsContact C-N 3.27Å; M334-R336 PolarHBondContact O-N 2.98Å
337	M	85	Confident	88.2	Confident	159 Å²	159	106 Å²	106	78%	0.783	54%	0.54	S	S	*	.	H	α-helix	trans	-83.4	-17.2	176.6	-72.7	-173.7	-176.7	0	0	113.1	A333 M334	A333-M337 WeakPolarHBondContact O-CG 3.18Å; A333-M337 PolarHBondContact O-N 3.1Å; A333-M337 VanDerWaalsContact O-N 3.17Å; M334-M337 PolarHBondContact O-N 2.51Å
338	Q	77.1	Confident	87.5	Confident	140 Å²	140	105.5 Å²	105.5	65%	0.654	54%	0.54	S	S	*	.	S	Bend	trans	-73.1	126.6	176.3	-66	-177.9	18.3	0	0	109.3	M334 Q335 T340	M334-Q338 PolarHBondContact O-N 3.06Å; Q335-Q338 PolarHBondContact O-N 3.14Å; Q338-T340 PolarHBondContact O-N 3.44Å
339	P	64.9	Low	86.7	Confident	128 Å²	128	105 Å²	105	83%	0.831	54%	0.542	S	S	*	.			trans	-62.2	126	173.2	25.2	-31.5	0	0	0	109
340	T	55.8	Low	85.7	Confident	212 Å²	212	114.5 Å²	114.5	100%	1.301	59%	0.592	S	S	*	*			trans	-59.9	0	168.2	47.8	0	0	0	0	112.1	Q338	Q338-T340 PolarHBondContact O-N 3.44Å

Retrieved 340 of 340 residues in 843.9 ms (Link to these results)

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