G4LY29_SCHMA Loading...

Large ribosomal subunit protein uL2

AlphaFold DB , UniProt , Accession G4LY29, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 259 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	63.5	Low	92.3	Very high	247 Å²	247	95.9 Å²	95.9	100%	1.217	52%	0.519	S	S	*	.				0	130.2	0	-141.4	-176.4	-79.4	0	0	108.3
2	G	87.7	Confident	92.6	Very high	67 Å²	67	95.8 Å²	95.8	69%	0.691	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-88.1	171.1	-176.8	0	0	0	0	0	113.6
3	R	95.5	Very high	92.6	Very high	154 Å²	154	89.8 Å²	89.8	58%	0.581	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-94.5	149.9	175.1	-166.9	177.7	-152.5	174.7	11.8	111	I5 V207 E208	R3-I5 PolarHBondContact O-N 3.34Å; R3-V207 HydrophobicContact CB-CG2 3.72Å; R3-V207 WeakPolarHBondContact CB-O 3.47Å; R3-V207 PolarHBondContact N-O 2.92Å; R3-E208 IonicContact NH1-OE1 3.4Å; R3-E208 PolarHBondContact NH1-OE1 3.37Å
4	V	96.3	Very high	92.7	Very high	82 Å²	82	87.1 Å²	87.1	50%	0.497	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-63.5	122	175	-178.3	0	0	0	0	110.6	Q8 R9	V4-Q8 HydrophobicContact CG1-CB 3.55Å; V4-Q8 HydrophobicContact CG1-CG 4.45Å; V4-R9 HydrophobicContact CG1-CG 3.98Å; V4-R9 PolarHBondContact O-NE 2.8Å
5	I	96.4	Very high	93	Very high	11 Å²	11	88.3 Å²	88.3	6%	0.056	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-74.5	162.8	-171.3	71.8	165.1	0	0	0	112.3	R3 S7 Q8 R9 E208 G232 V235	R3-I5 PolarHBondContact O-N 3.34Å; I5-S7 VanDerWaalsContact C-N 3.3Å; I5-S7 WeakPolarHBondContact CD1-OG 3.47Å; I5-S7 WeakPolarHBondContact CG1-OG 3.32Å; I5-S7 PolarHBondContact O-N 2.83Å; I5-Q8 HydrophobicContact CG1-CB 4.39Å; I5-Q8 HydrophobicContact CG1-CG 3.97Å; I5-Q8 PolarHBondContact O-N 3.04Å; I5-Q8 VanDerWaalsContact O-N 3.16Å; I5-R9 PolarHBondContact O-N 2.88Å; I5-R9 VanDerWaalsContact O-N 3.14Å; I5-E208 WeakPolarHBondContact CG2-O 3.01Å; I5-G232 VanDerWaalsContact CD1-O 3.3Å; I5-G232 WeakPolarHBondContact CD1-O 3.45Å; I5-V235 HydrophobicContact CD1-CG2 3.47Å; I5-V235 VanDerWaalsContact CD1-CG2 3.47Å
6	R	95.5	Very high	93.3	Very high	77 Å²	77	85.3 Å²	85.3	29%	0.291	50%	0.502	S	S	.	.	H	α-helix	trans	-55.6	-38.2	-177.2	-174.3	-177.8	66.2	-160.4	-5.5	113.9	R9 K10 V199	R6-R9 PolarHBondContact O-N 3.29Å; R6-K10 PolarHBondContact O-N 3.31Å; R6-V199 PolarHBondContact NH1-O 3.08Å; R6-V199 PolarHBondContact NH2-O 2.63Å
7	S	95.1	Very high	93.5	Very high	66 Å²	66	89.1 Å²	89.1	46%	0.462	51%	0.51	S	S	.	.	H	α-helix	trans	-67.4	-37.4	-179.4	54.8	0	0	0	0	112.3	I5	I5-S7 VanDerWaalsContact C-N 3.3Å; I5-S7 WeakPolarHBondContact CD1-OG 3.47Å; I5-S7 WeakPolarHBondContact CG1-OG 3.32Å; I5-S7 PolarHBondContact O-N 2.83Å
8	Q	96.4	Very high	93.7	Very high	72 Å²	72	86.5 Å²	86.5	34%	0.336	50%	0.502	S	S	.	.	H	α-helix	trans	-67.1	-44.6	175.1	-69.4	176	-64.6	0	0	111.1	V4 I5 K10 G11 H231	V4-Q8 HydrophobicContact CG1-CB 3.55Å; V4-Q8 HydrophobicContact CG1-CG 4.45Å; I5-Q8 HydrophobicContact CG1-CB 4.39Å; I5-Q8 HydrophobicContact CG1-CG 3.97Å; I5-Q8 PolarHBondContact O-N 3.04Å; I5-Q8 VanDerWaalsContact O-N 3.16Å; Q8-K10 PolarHBondContact O-N 3.3Å; Q8-K10 VanDerWaalsContact O-N 3.09Å; Q8-G11 PolarHBondContact O-N 3.36Å; Q8-H231 PolarHBondContact NE2-O 3.42Å
9	R	96.6	Very high	94	Very high	113 Å²	113	86.4 Å²	86.4	43%	0.426	50%	0.496	S	S	.	.	H	α-helix	trans	-58.6	-25	179.4	-70.5	-174.7	-77.5	165.6	-4	114.2	V4 I5 R6 G11 F16	V4-R9 HydrophobicContact CG1-CG 3.98Å; V4-R9 PolarHBondContact O-NE 2.8Å; I5-R9 PolarHBondContact O-N 2.88Å; I5-R9 VanDerWaalsContact O-N 3.14Å; R6-R9 PolarHBondContact O-N 3.29Å; R9-G11 VanDerWaalsContact C-N 3.28Å; R9-G11 PolarHBondContact O-N 2.83Å; R9-F16 HydrophobicContact CB-CE2 4.02Å; R9-F16 WeakPolarHBondContact O-CD2 3.07Å
10	K	96.6	Very high	94.1	Very high	93 Å²	93	86.3 Å²	86.3	40%	0.404	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-30.1	176.1	-72.6	179.6	178.4	-177.6	0	113.2	R6 Q8 G13 F16	R6-K10 PolarHBondContact O-N 3.31Å; Q8-K10 PolarHBondContact O-N 3.3Å; Q8-K10 VanDerWaalsContact O-N 3.09Å; K10-G13 PolarHBondContact O-N 3.09Å; K10-F16 HydrophobicContact CB-CD2 4.47Å; K10-F16 HydrophobicContact CB-CG 4.37Å; K10-F16 HydrophobicContact CG-CB 4.48Å; K10-F16 HydrophobicContact CG-CD1 3.87Å; K10-F16 HydrophobicContact CG-CD2 4.19Å; K10-F16 HydrophobicContact CG-CE1 4.11Å; K10-F16 HydrophobicContact CG-CE2 4.4Å; K10-F16 HydrophobicContact CG-CG 3.92Å; K10-F16 HydrophobicContact CG-CZ 4.36Å
11	G	95.5	Very high	94.2	Very high	73 Å²	73	91.2 Å²	91.2	75%	0.753	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-33.8	-177.7	0	0	0	0	0	113.5	Q8 R9 G13	Q8-G11 PolarHBondContact O-N 3.36Å; R9-G11 VanDerWaalsContact C-N 3.28Å; R9-G11 PolarHBondContact O-N 2.83Å; G11-G13 PolarHBondContact O-N 3.34Å; G11-G13 VanDerWaalsContact O-N 3.14Å
12	A	95.6	Very high	95.9	Very high	94 Å²	94	85.8 Å²	85.8	78%	0.777	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-16	177.7	0	0	0	0	0	113.3	G14	A12-G14 VanDerWaalsContact C-N 3.31Å; A12-G14 PolarHBondContact O-N 3.38Å
13	G	92.9	Very high	96.3	Very high	19 Å²	19	86.8 Å²	86.8	20%	0.196	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	63	31.8	173.5	0	0	0	0	0	114.2	K10 G11 K17	K10-G13 PolarHBondContact O-N 3.09Å; G11-G13 PolarHBondContact O-N 3.34Å; G11-G13 VanDerWaalsContact O-N 3.14Å; G13-K17 WeakPolarHBondContact O-CD 3.17Å; G13-K17 WeakPolarHBondContact O-CE 3.33Å; G13-K17 WeakPolarHBondContact O-CG 3.43Å
14	G	94.9	Very high	96.4	Very high	51 Å²	51	85.1 Å²	85.1	53%	0.526	46%	0.464	S	S	.	.	S	Bend	trans	-67.9	-112.1	170.3	0	0	0	0	0	111.5	A12 F16 K17	A12-G14 VanDerWaalsContact C-N 3.31Å; A12-G14 PolarHBondContact O-N 3.38Å; G14-F16 PolarHBondContact O-N 2.96Å; G14-K17 PolarHBondContact O-N 3.22Å
15	V	96.4	Very high	96.2	Very high	105 Å²	105	83 Å²	83	64%	0.636	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-7.2	174.7	-60	0	0	0	0	114.4	H194	V15-H194 WeakPolarHBondContact O-CB 3.07Å
16	F	97.3	Very high	96.2	Very high	41 Å²	41	85.7 Å²	85.7	18%	0.18	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	1.8	-175.6	-61.7	-67.5	0	0	0	114.6	R9 K10 G14 H194	R9-F16 HydrophobicContact CB-CE2 4.02Å; R9-F16 WeakPolarHBondContact O-CD2 3.07Å; K10-F16 HydrophobicContact CB-CD2 4.47Å; K10-F16 HydrophobicContact CB-CG 4.37Å; K10-F16 HydrophobicContact CG-CB 4.48Å; K10-F16 HydrophobicContact CG-CD1 3.87Å; K10-F16 HydrophobicContact CG-CD2 4.19Å; K10-F16 HydrophobicContact CG-CE1 4.11Å; K10-F16 HydrophobicContact CG-CE2 4.4Å; K10-F16 HydrophobicContact CG-CG 3.92Å; K10-F16 HydrophobicContact CG-CZ 4.36Å; G14-F16 PolarHBondContact O-N 2.96Å; F16-H194 VanDerWaalsContact CD1-O 3.29Å; F16-H194 WeakPolarHBondContact CD1-O 3.35Å; F16-H194 AromaticContact CE1-ND1 3.91Å
17	K	97.8	Very high	96.3	Very high	149 Å²	149	82.1 Å²	82.1	65%	0.648	47%	0.47	S	S	*	.	S	Bend	trans	-58.6	155.4	174.7	-63.2	-174.3	-172.3	-178.7	0	111.1	G13 G14	G13-K17 WeakPolarHBondContact O-CD 3.17Å; G13-K17 WeakPolarHBondContact O-CE 3.33Å; G13-K17 WeakPolarHBondContact O-CG 3.43Å; G14-K17 PolarHBondContact O-N 3.22Å
18	A	97.6	Very high	96.4	Very high	43 Å²	43	83.4 Å²	83.4	36%	0.355	47%	0.467	S	S	.	.	B	Isolated β-bridge	trans	-67	138.2	172.7	0	0	0	0	0	110.3	T20	A18-T20 HydrophobicContact CB-CG2 4.08Å; A18-T20 PolarHBondContact O-N 2.86Å
19	H	97.6	Very high	96.4	Very high	84 Å²	84	80 Å²	80	39%	0.389	45%	0.451	S	S	.	.			trans	-78.7	110.1	171.4	-58.8	173	0	0	0	108.2	R23 K190 K192	H19-R23 PolarHBondContact O-NE 3.37Å; H19-K190 PolarHBondContact ND1-O 2.92Å; H19-K192 PolarHBondContact N-O 2.76Å
20	T	96.9	Very high	96.4	Very high	85 Å²	85	75 Å²	75	52%	0.521	43%	0.432	S	S	.	.			trans	-116.7	-8.6	-170.9	51.8	0	0	0	0	114.7	A18 H22 R23	A18-T20 HydrophobicContact CB-CG2 4.08Å; A18-T20 PolarHBondContact O-N 2.86Å; T20-H22 VanDerWaalsContact C-N 3.3Å; T20-H22 PolarHBondContact O-N 3.07Å; T20-H22 VanDerWaalsContact O-N 3.12Å; T20-R23 WeakPolarHBondContact O-CB 3.35Å; T20-R23 PolarHBondContact O-N 3.35Å
21	K	97.1	Very high	96.3	Very high	190 Å²	190	73.6 Å²	73.6	83%	0.826	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-43.9	-173	-176.1	170.4	-177.3	168	0	114.6
22	H	97.6	Very high	96.3	Very high	132 Å²	132	72.5 Å²	72.5	61%	0.611	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	3.2	-175.7	-59	-65.6	0	0	0	114.4	T20 P52	T20-H22 VanDerWaalsContact C-N 3.3Å; T20-H22 PolarHBondContact O-N 3.07Å; T20-H22 VanDerWaalsContact O-N 3.12Å; H22-P52 HydrophobicContact CB-CB 4.39Å; H22-P52 HydrophobicContact CB-CG 3.99Å; H22-P52 WeakPolarHBondContact O-CD 3.49Å; H22-P52 WeakPolarHBondContact O-CG 3.37Å
23	R	97.5	Very high	96.3	Very high	89 Å²	89	69.2 Å²	69.2	34%	0.336	38%	0.379	S	S	.	.			trans	-67.8	143.2	179.4	-68.3	-168.5	-173.9	-176.6	3.2	110.5	H19 T20 G25 D51	H19-R23 PolarHBondContact O-NE 3.37Å; T20-R23 WeakPolarHBondContact O-CB 3.35Å; T20-R23 PolarHBondContact O-N 3.35Å; R23-G25 PolarHBondContact O-N 2.84Å; R23-D51 WeakPolarHBondContact CA-OD1 3.44Å
24	K	96.5	Very high	96.4	Very high	118 Å²	118	73.9 Å²	73.9	51%	0.513	39%	0.394	S	S	.	.			trans	-84.7	5.2	-172.4	-55.7	-59.6	-177.4	177.8	0	114.1	I49 D51	K24-I49 HydrophobicContact CB-CD1 3.67Å; K24-I49 HydrophobicContact CG-CD1 3.83Å; K24-D51 PolarHBondContact N-OD1 2.94Å
25	G	92.5	Very high	96.5	Very high	39 Å²	39	72.3 Å²	72.3	40%	0.402	38%	0.376	S	S	.	.			trans	116.9	174.6	179.6	0	0	0	0	0	113.1	R23 A27	R23-G25 PolarHBondContact O-N 2.84Å; G25-A27 PolarHBondContact O-N 2.94Å
26	A	96.1	Very high	96.4	Very high	66 Å²	66	67.5 Å²	67.5	55%	0.545	35%	0.346	S	S	.	.			trans	-76.5	117.4	179.3	0	0	0	0	0	110.3	K28	A26-K28 HydrophobicContact CB-CD 4.41Å; A26-K28 HydrophobicContact CB-CG 4.34Å; A26-K28 PolarHBondContact O-N 3.26Å
27	A	97.2	Very high	96.3	Very high	2 Å²	2	71.9 Å²	71.9	2%	0.017	36%	0.362	C	S	.	.			trans	-69.2	119.8	171	0	0	0	0	0	109.8	G25 L58 T75 I77 R128	G25-A27 PolarHBondContact O-N 2.94Å; A27-L58 HydrophobicContact CB-CD1 4.43Å; A27-L58 HydrophobicContact CB-CD2 3.57Å; A27-T75 CarbonylContact C-O 3.43Å; A27-T75 WeakPolarHBondContact CA-O 3.16Å; A27-I77 HydrophobicContact CB-CG1 3.88Å; A27-R128 PolarHBondContact O-NH2 3.32Å
28	K	97.2	Very high	96.2	Very high	94 Å²	94	69.5 Å²	69.5	41%	0.409	35%	0.353	S	S	.	.			trans	-149.9	143.8	-176.1	-68.8	-176.9	-178.7	178.1	0	108.9	A26 T75 F76 R123	A26-K28 HydrophobicContact CB-CD 4.41Å; A26-K28 HydrophobicContact CB-CG 4.34Å; A26-K28 PolarHBondContact O-N 3.26Å; K28-T75 PolarHBondContact N-O 3.48Å; K28-F76 WeakPolarHBondContact O-CD1 3.14Å; K28-F76 WeakPolarHBondContact O-CE1 3.18Å; K28-R123 WeakPolarHBondContact CA-O 3.45Å; K28-R123 HydrophobicContact CB-CB 3.99Å; K28-R123 HydrophobicContact CG-CB 4.46Å
29	L	97.3	Very high	96.2	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-61.1	169.7	165.2	-61.2	177.8	0	0	0	110.2	I101 N115 E117 R123 R163	L29-I101 HydrophobicContact CD1-CG2 4.24Å; L29-I101 HydrophobicContact CD2-CD1 3.6Å; L29-I101 HydrophobicContact CD2-CG1 3.9Å; L29-I101 HydrophobicContact CD2-CG2 4.28Å; L29-N115 VanDerWaalsContact CD2-ND2 3.26Å; L29-N115 WeakPolarHBondContact CD2-ND2 3.33Å; L29-N115 WeakPolarHBondContact CG-ND2 3.5Å; L29-E117 HydrophobicContact CD1-CG 4.07Å; L29-R123 HydrophobicContact CB-CB 4.41Å; L29-R123 PolarHBondContact N-O 2.82Å; L29-R123 PolarHBondContact O-NE 3.27Å; L29-R123 PolarHBondContact O-NH2 3.12Å; L29-R163 HydrophobicContact CD1-CB 4.25Å
30	R	96.4	Very high	96.1	Very high	9 Å²	9	70.7 Å²	70.7	3%	0.034	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-60.4	155.1	171.7	-86	176.9	62.7	133.7	11	111.9	D33 E36 F63 Q74 F76 R163	R30-D33 IonicContact CZ-OD2 3.37Å; R30-D33 IonicContact NH2-OD2 3.66Å; R30-D33 PolarHBondContact NH2-OD2 2.99Å; R30-E36 WeakPolarHBondContact CB-OE1 3.23Å; R30-E36 WeakPolarHBondContact CD-OE1 3.33Å; R30-E36 IonicContact CZ-OE1 3.74Å; R30-E36 IonicContact NE-OE1 2.88Å; R30-E36 PolarHBondContact NE-OE1 2.86Å; R30-F63 HydrophobicContact CG-CD2 4.12Å; R30-F63 HydrophobicContact CG-CE2 3.86Å; R30-F63 HydrophobicContact CG-CZ 4.22Å; R30-F63 VanDerWaalsContact NH1-CB 3.28Å; R30-Q74 HydrophobicContact CG-CG 3.79Å; R30-F76 HydrophobicContact CG-CE1 4.38Å; R30-F76 HydrophobicContact CG-CZ 4.07Å; R30-R163 PolarHBondContact O-NH1 2.91Å; R30-R163 VanDerWaalsContact O-NH1 3.14Å; R30-R163 PolarHBondContact O-NH2 2.67Å
31	P	95.4	Very high	96.1	Very high	62 Å²	62	67.6 Å²	67.6	40%	0.403	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-53.6	148.3	162.2	-21.8	34.3	0	0	0	111	D33 R163	P31-D33 PolarHBondContact O-N 2.99Å; P31-R163 PolarHBondContact O-NH1 2.88Å
32	N	94.4	Very high	96.1	Very high	51 Å²	51	65 Å²	65	27%	0.273	32%	0.317	S	S	.	.			trans	-84.6	92	177.4	-167.5	24.5	0	0	0	109.3	R37	N32-R37 WeakPolarHBondContact OD1-CG 3.44Å
33	D	95.4	Very high	96.1	Very high	25 Å²	25	58.9 Å²	58.9	13%	0.134	29%	0.288	C	S	.	.			trans	-96.4	-172.8	-177.7	58.3	21.4	0	0	0	112	R30 P31 A35 E36 R37	R30-D33 IonicContact CZ-OD2 3.37Å; R30-D33 IonicContact NH2-OD2 3.66Å; R30-D33 PolarHBondContact NH2-OD2 2.99Å; P31-D33 PolarHBondContact O-N 2.99Å; D33-A35 VanDerWaalsContact C-N 3.33Å; D33-A35 PolarHBondContact OD1-N 3.28Å; D33-E36 PolarHBondContact OD1-N 2.77Å; D33-R37 WeakPolarHBondContact O-CB 3.25Å; D33-R37 VanDerWaalsContact O-CG 3.29Å; D33-R37 WeakPolarHBondContact O-CG 3.39Å; D33-R37 PolarHBondContact O-N 2.87Å; D33-R37 PolarHBondContact O-NE 3.22Å; D33-R37 VanDerWaalsContact O-NE 3.13Å
34	F	96.1	Very high	96.2	Very high	117 Å²	117	56.4 Å²	56.4	51%	0.513	28%	0.283	S	S	.	.	H	α-helix	trans	-64.6	-38.4	177.6	-178.8	-94.7	0	0	0	112.4	R37 H38	F34-R37 PolarHBondContact O-N 3.4Å; F34-H38 AromaticContact CD2-CE1 3.56Å; F34-H38 AromaticContact CD2-ND1 3.3Å; F34-H38 VanDerWaalsContact CD2-ND1 3.3Å; F34-H38 WeakPolarHBondContact CD2-ND1 3.38Å; F34-H38 AromaticContact CE2-CE1 3.44Å; F34-H38 VanDerWaalsContact CE2-CE1 3.44Å; F34-H38 WeakPolarHBondContact CE2-CE1 3.32Å; F34-H38 AromaticContact CE2-CG 3.99Å; F34-H38 AromaticContact CE2-ND1 3.24Å; F34-H38 WeakPolarHBondContact CE2-ND1 3.46Å; F34-H38 AromaticContact CG-ND1 3.87Å; F34-H38 HydrophobicContact CZ-CB 4.44Å; F34-H38 AromaticContact CZ-ND1 3.75Å; F34-H38 PolarHBondContact O-N 2.98Å; F34-H38 VanDerWaalsContact O-N 3.16Å; F34-H38 PolarHBondContact O-ND1 3.02Å
35	A	95.6	Very high	96.2	Very high	18 Å²	18	50.8 Å²	50.8	15%	0.149	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-45.7	-176.9	0	0	0	0	0	111.9	D33 G39 Y40 I41 V66	D33-A35 VanDerWaalsContact C-N 3.33Å; D33-A35 PolarHBondContact OD1-N 3.28Å; A35-G39 CarbonylContact O-C 3.53Å; A35-G39 WeakPolarHBondContact O-CA 3.39Å; A35-G39 PolarHBondContact O-N 3.21Å; A35-Y40 PolarHBondContact O-N 2.96Å; A35-I41 HydrophobicContact CB-CB 4.36Å; A35-V66 HydrophobicContact CB-CG2 4.03Å
36	E	95	Very high	96.5	Very high	3 Å²	3	55.7 Å²	55.7	1%	0.014	27%	0.269	C	S	.	.	H	α-helix	trans	-72.1	-32	177.9	-72.8	-165.7	-139.2	0	0	113.5	R30 D33 I41 C90 G91 K92 R163	R30-E36 WeakPolarHBondContact CB-OE1 3.23Å; R30-E36 WeakPolarHBondContact CD-OE1 3.33Å; R30-E36 IonicContact CZ-OE1 3.74Å; R30-E36 IonicContact NE-OE1 2.88Å; R30-E36 PolarHBondContact NE-OE1 2.86Å; D33-E36 PolarHBondContact OD1-N 2.77Å; E36-I41 HydrophobicContact CG-CG2 3.82Å; E36-C90 HydrophobicContact CG-CB 3.96Å; E36-G91 CarbonylContact O-C 3.54Å; E36-G91 VanDerWaalsContact O-CA 3.23Å; E36-G91 WeakPolarHBondContact O-CA 3.23Å; E36-K92 PolarHBondContact O-N 2.79Å; E36-R163 VanDerWaalsContact CD-NH1 3.28Å; E36-R163 IonicContact OE1-NH1 3.7Å; E36-R163 IonicContact OE2-CZ 2.64Å; E36-R163 IonicContact OE2-NH1 2.61Å; E36-R163 PolarHBondContact OE2-NH1 3.04Å
37	R	95.2	Very high	96.6	Very high	133 Å²	133	56.8 Å²	56.8	50%	0.502	26%	0.263	S	S	.	.	H	α-helix	trans	-68.2	-41.4	179.6	-77.7	-173.9	-73.5	160.9	-4.8	113.2	N32 D33 F34	N32-R37 WeakPolarHBondContact OD1-CG 3.44Å; D33-R37 WeakPolarHBondContact O-CB 3.25Å; D33-R37 VanDerWaalsContact O-CG 3.29Å; D33-R37 WeakPolarHBondContact O-CG 3.39Å; D33-R37 PolarHBondContact O-N 2.87Å; D33-R37 PolarHBondContact O-NE 3.22Å; D33-R37 VanDerWaalsContact O-NE 3.13Å; F34-R37 PolarHBondContact O-N 3.4Å
38	H	96	Very high	96.6	Very high	99 Å²	99	59.6 Å²	59.6	46%	0.458	28%	0.277	S	S	.	.	H	α-helix	trans	-109.4	-24.2	-171.7	-58.9	95.5	0	0	0	114.3	F34 K93	F34-H38 AromaticContact CD2-CE1 3.56Å; F34-H38 AromaticContact CD2-ND1 3.3Å; F34-H38 VanDerWaalsContact CD2-ND1 3.3Å; F34-H38 WeakPolarHBondContact CD2-ND1 3.38Å; F34-H38 AromaticContact CE2-CE1 3.44Å; F34-H38 VanDerWaalsContact CE2-CE1 3.44Å; F34-H38 WeakPolarHBondContact CE2-CE1 3.32Å; F34-H38 AromaticContact CE2-CG 3.99Å; F34-H38 AromaticContact CE2-ND1 3.24Å; F34-H38 WeakPolarHBondContact CE2-ND1 3.46Å; F34-H38 AromaticContact CG-ND1 3.87Å; F34-H38 HydrophobicContact CZ-CB 4.44Å; F34-H38 AromaticContact CZ-ND1 3.75Å; F34-H38 PolarHBondContact O-N 2.98Å; F34-H38 VanDerWaalsContact O-N 3.16Å; F34-H38 PolarHBondContact O-ND1 3.02Å; H38-K93 WeakPolarHBondContact O-CE 3.46Å
39	G	96.4	Very high	96.6	Very high	19 Å²	19	55.9 Å²	55.9	20%	0.196	26%	0.261	C	S	.	.	S	Bend	trans	-134.8	-133.3	-174.7	0	0	0	0	0	112	A35 G91 K92 K93	A35-G39 CarbonylContact O-C 3.53Å; A35-G39 WeakPolarHBondContact O-CA 3.39Å; A35-G39 PolarHBondContact O-N 3.21Å; G39-G91 CarbonylContact O-C 3.58Å; G39-G91 WeakPolarHBondContact O-CA 3.38Å; G39-K92 PolarHBondContact O-N 3.11Å; G39-K93 PolarHBondContact O-N 3.01Å
40	Y	96.8	Very high	96.6	Very high	134 Å²	134	61.8 Å²	61.8	53%	0.525	29%	0.289	S	S	.	.			trans	-146	161.3	169.2	61	-96.9	0	0	0	109.7	A35 Y89 C90 K93	A35-Y40 PolarHBondContact O-N 2.96Å; Y40-Y89 AromaticContact CD2-CD1 3.89Å; Y40-Y89 HydrophobicContact CD2-CD1 3.89Å; Y40-Y89 HydrophobicContact CE2-CD1 4.21Å; Y40-Y89 HydrophobicContact CE2-CE1 4.43Å; Y40-C90 CarbonylContact C-O 3.54Å; Y40-C90 WeakPolarHBondContact CA-O 3.38Å; Y40-K93 HydrophobicContact CD1-CB 4Å
41	I	97.1	Very high	96.7	Very high	19 Å²	19	61.4 Å²	61.4	10%	0.097	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.8	172.3	-176.9	153.3	0	0	0	110.2	A35 E36 F63 V66 Y89 C90	A35-I41 HydrophobicContact CB-CB 4.36Å; E36-I41 HydrophobicContact CG-CG2 3.82Å; I41-F63 HydrophobicContact CG1-CD1 4.3Å; I41-V66 HydrophobicContact CD1-CG2 3.52Å; I41-Y89 WeakPolarHBondContact O-CA 3.42Å; I41-C90 HydrophobicContact CG2-CB 4.05Å; I41-C90 PolarHBondContact N-O 3.4Å; I41-C90 PolarHBondContact O-N 2.86Å
42	R	97.4	Very high	96.8	Very high	137 Å²	137	60 Å²	60	52%	0.517	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	134.2	-178.9	-173.6	-178.8	69.3	171.2	-5.7	110.6	F63 F87 V88 Y89	R42-F63 WeakPolarHBondContact O-CD1 3.31Å; R42-F87 HydrophobicContact CG-CB 4.05Å; R42-F87 HydrophobicContact CG-CD1 3.58Å; R42-F87 HydrophobicContact CG-CE1 4.33Å; R42-F87 HydrophobicContact CG-CG 4.07Å; R42-V88 CarbonylContact C-O 3.58Å; R42-V88 WeakPolarHBondContact CA-O 3.4Å; R42-Y89 HydrophobicContact CB-CD1 4.13Å; R42-Y89 HydrophobicContact CB-CE1 4Å; R42-Y89 HydrophobicContact CG-CD1 4.3Å; R42-Y89 HydrophobicContact CG-CE1 3.86Å
43	G	97.5	Very high	97	Very high	2 Å²	2	58.7 Å²	58.7	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	159.9	167.7	0	0	0	0	0	111	S62 F63 F87 V88	G43-S62 CarbonylContact C-O 3.34Å; G43-S62 WeakPolarHBondContact CA-O 3.37Å; G43-F63 VanDerWaalsContact CA-CE1 3.41Å; G43-F87 CarbonylContact O-C 3.58Å; G43-F87 WeakPolarHBondContact O-CA 3.38Å; G43-V88 PolarHBondContact N-O 2.87Å; G43-V88 PolarHBondContact O-N 2.82Å
44	V	98.1	Very high	97.1	Very high	38 Å²	38	60.6 Å²	60.6	23%	0.23	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131	175.4	177.6	0	0	0	0	109	K46 V61 S62 F87	V44-K46 HydrophobicContact CG1-CD 4.48Å; V44-K46 PolarHBondContact O-N 2.97Å; V44-K46 VanDerWaalsContact O-N 3.1Å; V44-V61 WeakPolarHBondContact O-CA 3.38Å; V44-S62 PolarHBondContact N-O 2.88Å; V44-S62 PolarHBondContact O-N 3.43Å; V44-F87 HydrophobicContact CG2-CD1 3.59Å; V44-F87 HydrophobicContact CG2-CE1 3.39Å; V44-F87 HydrophobicContact CG2-CZ 4.48Å
45	V	98.1	Very high	97.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	103.5	168.4	-175.8	0	0	0	0	108	I48 A59 V61 L82 H83 G85 Q86 V88	V45-I48 HydrophobicContact CG1-CD1 4.48Å; V45-I48 HydrophobicContact CG1-CG1 3.96Å; V45-A59 HydrophobicContact CG1-CB 4.28Å; V45-V61 HydrophobicContact CG2-CG2 4.26Å; V45-L82 HydrophobicContact CG2-CD2 3.74Å; V45-H83 WeakPolarHBondContact CB-O 3.32Å; V45-G85 PolarHBondContact O-N 3.15Å; V45-Q86 HydrophobicContact CG2-CB 4.3Å; V45-Q86 PolarHBondContact N-O 3.19Å; V45-V88 HydrophobicContact CG2-CG2 3.67Å
46	K	97.8	Very high	97.2	Very high	141 Å²	141	55.7 Å²	55.7	61%	0.613	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	-39.6	-179.3	-73.4	-67	-173.9	177.9	0	111.9	V44 K60	V44-K46 HydrophobicContact CG1-CD 4.48Å; V44-K46 PolarHBondContact O-N 2.97Å; V44-K46 VanDerWaalsContact O-N 3.1Å; K46-K60 PolarHBondContact N-O 2.93Å
47	E	97.5	Very high	97.3	Very high	89 Å²	89	57 Å²	57	42%	0.416	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	143.6	-173.1	-163.9	-170.1	177.7	0	0	109.7	I49 K60	E47-I49 HydrophobicContact CB-CG2 4.25Å; E47-I49 HydrophobicContact CG-CG2 3.57Å; E47-I49 VanDerWaalsContact OE1-CG2 3.27Å; E47-I49 WeakPolarHBondContact OE1-CG2 3.21Å; E47-I49 WeakPolarHBondContact OE2-CG2 3.44Å; E47-K60 HydrophobicContact CB-CB 4.4Å; E47-K60 HydrophobicContact CB-CD 4.39Å; E47-K60 PolarHBondContact O-N 3.46Å; E47-K60 WeakPolarHBondContact OE2-CD 3.16Å; E47-K60 IonicContact OE2-NZ 2.77Å; E47-K60 PolarHBondContact OE2-NZ 2.82Å
48	I	97.6	Very high	97.5	Very high	61 Å²	61	50.7 Å²	50.7	31%	0.313	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.3	168.4	-60.3	175.9	0	0	0	107.5	V45 P57 L58 L82 T84	V45-I48 HydrophobicContact CG1-CD1 4.48Å; V45-I48 HydrophobicContact CG1-CG1 3.96Å; I48-P57 HydrophobicContact CG2-CB 3.95Å; I48-L58 CarbonylContact C-O 3.16Å; I48-L58 WeakPolarHBondContact CA-O 3.33Å; I48-L82 HydrophobicContact CD1-CB 4.47Å; I48-L82 WeakPolarHBondContact CD1-O 3.48Å; I48-T84 HydrophobicContact CG1-CG2 4.49Å
49	I	97.8	Very high	97.6	Very high	16 Å²	16	46 Å²	46	8%	0.082	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152.8	-169.8	67.2	-176.7	0	0	0	112.2	K24 E47 L58 K60	K24-I49 HydrophobicContact CB-CD1 3.67Å; K24-I49 HydrophobicContact CG-CD1 3.83Å; E47-I49 HydrophobicContact CB-CG2 4.25Å; E47-I49 HydrophobicContact CG-CG2 3.57Å; E47-I49 VanDerWaalsContact OE1-CG2 3.27Å; E47-I49 WeakPolarHBondContact OE1-CG2 3.21Å; E47-I49 WeakPolarHBondContact OE2-CG2 3.44Å; I49-L58 HydrophobicContact CD1-CB 4.47Å; I49-L58 HydrophobicContact CG1-CB 3.9Å; I49-L58 PolarHBondContact N-O 2.94Å; I49-L58 PolarHBondContact O-N 2.86Å; I49-K60 HydrophobicContact CD1-CD 4.28Å; I49-K60 HydrophobicContact CD1-CG 4.09Å
50	H	98.2	Very high	97.6	Very high	124 Å²	124	49.1 Å²	49.1	57%	0.574	24%	0.238	S	C	*	.			trans	-82.4	130.3	167.7	-176.2	68.4	0	0	0	111.4
51	D	97.8	Very high	97.7	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.011	21%	0.213	C	C	.	.			trans	-104.5	115.3	174.2	-179.2	45.4	0	0	0	110.6	R23 K24 G53 R54 L58	R23-D51 WeakPolarHBondContact CA-OD1 3.44Å; K24-D51 PolarHBondContact N-OD1 2.94Å; D51-G53 PolarHBondContact O-N 3.16Å; D51-R54 HydrophobicContact CB-CB 4.07Å; D51-R54 WeakPolarHBondContact O-CB 3.32Å; D51-R54 PolarHBondContact O-N 2.83Å; D51-R54 IonicContact OD2-CZ 3.67Å; D51-R54 IonicContact OD2-NE 2.72Å; D51-R54 PolarHBondContact OD2-NE 2.95Å; D51-R54 IonicContact OD2-NH2 3.58Å; D51-L58 HydrophobicContact CB-CD1 3.48Å; D51-L58 VanDerWaalsContact CB-CD1 3.48Å; D51-L58 HydrophobicContact CB-CG 3.78Å
52	P	97.8	Very high	97.7	Very high	33 Å²	33	42.4 Å²	42.4	21%	0.214	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	131.4	-178.2	-30.6	37.7	0	0	0	113.7	H22 R54	H22-P52 HydrophobicContact CB-CB 4.39Å; H22-P52 HydrophobicContact CB-CG 3.99Å; H22-P52 WeakPolarHBondContact O-CD 3.49Å; H22-P52 WeakPolarHBondContact O-CG 3.37Å; P52-R54 VanDerWaalsContact C-N 3.26Å; P52-R54 PolarHBondContact O-N 3.26Å
53	G	97.1	Very high	97.7	Very high	23 Å²	23	36 Å²	36	24%	0.237	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-1.7	-179.2	0	0	0	0	0	114.6	D51 K192	D51-G53 PolarHBondContact O-N 3.16Å; G53-K192 VanDerWaalsContact O-CE 3.25Å; G53-K192 WeakPolarHBondContact O-CE 3.49Å
54	R	97.6	Very high	97.7	Very high	64 Å²	64	43.5 Å²	43.5	24%	0.242	22%	0.216	C	C	.	.			trans	-106.2	142.7	171.9	-173.6	-176.6	-65	-82.4	-3.6	110.2	D51 P52 A56	D51-R54 HydrophobicContact CB-CB 4.07Å; D51-R54 WeakPolarHBondContact O-CB 3.32Å; D51-R54 PolarHBondContact O-N 2.83Å; D51-R54 IonicContact OD2-CZ 3.67Å; D51-R54 IonicContact OD2-NE 2.72Å; D51-R54 PolarHBondContact OD2-NE 2.95Å; D51-R54 IonicContact OD2-NH2 3.58Å; P52-R54 VanDerWaalsContact C-N 3.26Å; P52-R54 PolarHBondContact O-N 3.26Å; R54-A56 WeakPolarHBondContact CD-O 3.43Å; R54-A56 HydrophobicContact CG-CB 4.38Å; R54-A56 VanDerWaalsContact CG-O 3.27Å; R54-A56 WeakPolarHBondContact CG-O 3.23Å
55	G	96.5	Very high	97.5	Very high	32 Å²	32	42.7 Å²	42.7	33%	0.33	21%	0.211	S	C	.	.	S	Bend	trans	-82.9	-33.7	175.2	0	0	0	0	0	113.6
56	A	97.6	Very high	97.3	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	23%	0.233	C	C	.	.	S	Bend	trans	-84.6	139.8	178.8	0	0	0	0	0	111	R54 I77 V169	R54-A56 WeakPolarHBondContact CD-O 3.43Å; R54-A56 HydrophobicContact CG-CB 4.38Å; R54-A56 VanDerWaalsContact CG-O 3.27Å; R54-A56 WeakPolarHBondContact CG-O 3.23Å; A56-I77 HydrophobicContact CB-CG2 4.18Å; A56-V169 HydrophobicContact CB-CG1 3.4Å; A56-V169 VanDerWaalsContact CB-CG1 3.4Å
57	P	98.1	Very high	97	Very high	31 Å²	31	47.2 Å²	47.2	20%	0.201	23%	0.233	C	C	.	.			trans	-69.1	158.1	170.8	27.7	-29.6	0	0	0	111.4	I48 A78 A170	I48-P57 HydrophobicContact CG2-CB 3.95Å; P57-A78 HydrophobicContact CG-CB 4.2Å; P57-A78 PolarHBondContact O-N 3.17Å; P57-A78 VanDerWaalsContact O-N 3.14Å; P57-A170 HydrophobicContact CG-CB 3.76Å
58	L	98.1	Very high	96.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143.5	174.9	-59.8	-174.7	0	0	0	110	A27 I48 I49 D51 T75 F76 I77	A27-L58 HydrophobicContact CB-CD1 4.43Å; A27-L58 HydrophobicContact CB-CD2 3.57Å; I48-L58 CarbonylContact C-O 3.16Å; I48-L58 WeakPolarHBondContact CA-O 3.33Å; I49-L58 HydrophobicContact CD1-CB 4.47Å; I49-L58 HydrophobicContact CG1-CB 3.9Å; I49-L58 PolarHBondContact N-O 2.94Å; I49-L58 PolarHBondContact O-N 2.86Å; D51-L58 HydrophobicContact CB-CD1 3.48Å; D51-L58 VanDerWaalsContact CB-CD1 3.48Å; D51-L58 HydrophobicContact CB-CG 3.78Å; L58-T75 HydrophobicContact CB-CG2 3.85Å; L58-T75 HydrophobicContact CD1-CG2 3.56Å; L58-T75 HydrophobicContact CG-CG2 4.2Å; L58-F76 CarbonylContact C-O 3.57Å; L58-F76 WeakPolarHBondContact CA-O 3.45Å; L58-F76 WeakPolarHBondContact CB-O 3.46Å; L58-F76 WeakPolarHBondContact CD2-O 3.47Å; L58-I77 HydrophobicContact CD2-CG1 4.17Å
59	A	98	Very high	96.7	Very high	1 Å²	1	53 Å²	53	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.4	171.5	0	0	0	0	0	109.3	V45 V61 F76 A78	V45-A59 HydrophobicContact CG1-CB 4.28Å; A59-V61 HydrophobicContact CB-CG2 4.21Å; A59-V61 PolarHBondContact O-N 3.3Å; A59-F76 HydrophobicContact CB-CB 4.45Å; A59-F76 PolarHBondContact N-O 2.83Å; A59-F76 PolarHBondContact O-N 2.81Å; A59-A78 HydrophobicContact CB-CB 4.16Å
60	K	97.9	Very high	96.6	Very high	83 Å²	83	57.9 Å²	57.9	36%	0.361	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	107.9	167.3	-76.1	178.8	-179.7	155.9	0	108.3	K46 E47 I49 Q74	K46-K60 PolarHBondContact N-O 2.93Å; E47-K60 HydrophobicContact CB-CB 4.4Å; E47-K60 HydrophobicContact CB-CD 4.39Å; E47-K60 PolarHBondContact O-N 3.46Å; E47-K60 WeakPolarHBondContact OE2-CD 3.16Å; E47-K60 IonicContact OE2-NZ 2.77Å; E47-K60 PolarHBondContact OE2-NZ 2.82Å; I49-K60 HydrophobicContact CD1-CD 4.28Å; I49-K60 HydrophobicContact CD1-CG 4.09Å; K60-Q74 WeakPolarHBondContact CA-O 3.18Å
61	V	97.8	Very high	96.5	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.5	179.6	-170.5	0	0	0	0	109	V44 V45 A59 F63 Q74 F76 V88	V44-V61 WeakPolarHBondContact O-CA 3.38Å; V45-V61 HydrophobicContact CG2-CG2 4.26Å; A59-V61 HydrophobicContact CB-CG2 4.21Å; A59-V61 PolarHBondContact O-N 3.3Å; V61-F63 HydrophobicContact CB-CD2 4.48Å; V61-F63 HydrophobicContact CB-CE2 3.77Å; V61-F63 HydrophobicContact CB-CZ 4.27Å; V61-F63 HydrophobicContact CG1-CD2 4.06Å; V61-F63 HydrophobicContact CG1-CE1 4.24Å; V61-F63 HydrophobicContact CG1-CE2 3.37Å; V61-F63 HydrophobicContact CG1-CZ 3.48Å; V61-F63 VanDerWaalsContact CG1-CZ 3.48Å; V61-Q74 PolarHBondContact N-O 2.82Å; V61-Q74 PolarHBondContact O-N 2.92Å; V61-F76 HydrophobicContact CB-CD2 4.19Å; V61-F76 HydrophobicContact CB-CE2 4.13Å; V61-F76 HydrophobicContact CG1-CE2 4.36Å; V61-F76 HydrophobicContact CG2-CB 4.47Å; V61-F76 HydrophobicContact CG2-CD2 3.52Å; V61-F76 HydrophobicContact CG2-CE2 3.93Å; V61-F76 HydrophobicContact CG2-CG 4.1Å; V61-V88 HydrophobicContact CG1-CB 4.45Å
62	S	97.5	Very high	96.3	Very high	12 Å²	12	60 Å²	60	8%	0.084	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.1	176.5	-168.5	0	0	0	0	109.5	G43 V44	G43-S62 CarbonylContact C-O 3.34Å; G43-S62 WeakPolarHBondContact CA-O 3.37Å; V44-S62 PolarHBondContact N-O 2.88Å; V44-S62 PolarHBondContact O-N 3.43Å
63	F	97.6	Very high	96.2	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.009	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	151.8	174.3	-64.9	-87	0	0	0	109.9	R30 I41 R42 G43 V61 L71 I72 Q74 F76	R30-F63 HydrophobicContact CG-CD2 4.12Å; R30-F63 HydrophobicContact CG-CE2 3.86Å; R30-F63 HydrophobicContact CG-CZ 4.22Å; R30-F63 VanDerWaalsContact NH1-CB 3.28Å; I41-F63 HydrophobicContact CG1-CD1 4.3Å; R42-F63 WeakPolarHBondContact O-CD1 3.31Å; G43-F63 VanDerWaalsContact CA-CE1 3.41Å; V61-F63 HydrophobicContact CB-CD2 4.48Å; V61-F63 HydrophobicContact CB-CE2 3.77Å; V61-F63 HydrophobicContact CB-CZ 4.27Å; V61-F63 HydrophobicContact CG1-CD2 4.06Å; V61-F63 HydrophobicContact CG1-CE1 4.24Å; V61-F63 HydrophobicContact CG1-CE2 3.37Å; V61-F63 HydrophobicContact CG1-CZ 3.48Å; V61-F63 VanDerWaalsContact CG1-CZ 3.48Å; F63-L71 CarbonylContact O-C 3.5Å; F63-L71 WeakPolarHBondContact O-CA 3.38Å; F63-I72 PolarHBondContact N-O 3.46Å; F63-I72 PolarHBondContact O-N 3.31Å; F63-Q74 HydrophobicContact CD2-CB 4.37Å; F63-Q74 HydrophobicContact CD2-CG 4.06Å; F63-Q74 HydrophobicContact CE2-CB 4.2Å; F63-Q74 HydrophobicContact CE2-CG 4.22Å; F63-F76 HydrophobicContact CE2-CE1 4.41Å; F63-F76 AromaticContact CE2-CE2 3.94Å; F63-F76 HydrophobicContact CE2-CE2 3.94Å; F63-F76 AromaticContact CE2-CZ 3.55Å; F63-F76 HydrophobicContact CE2-CZ 3.55Å; F63-F76 AromaticContact CZ-CE2 3.78Å; F63-F76 HydrophobicContact CZ-CE2 3.78Å; F63-F76 AromaticContact CZ-CZ 3.68Å; F63-F76 HydrophobicContact CZ-CZ 3.68Å
64	R	96.5	Very high	96.2	Very high	159 Å²	159	66.6 Å²	66.6	60%	0.6	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	133.8	164.6	-171.3	167.9	177	148.4	-5.1	108.3
65	D	94.9	Very high	96.2	Very high	22 Å²	22	64.9 Å²	64.9	12%	0.118	31%	0.31	C	S	.	.			trans	-68.6	145.9	172.5	-168	11.8	0	0	0	110.3	Y67 S68 K70 I72	D65-Y67 PolarHBondContact OD1-N 3.1Å; D65-S68 WeakPolarHBondContact CB-O 3.34Å; D65-K70 HydrophobicContact CB-CG 3.68Å; D65-K70 WeakPolarHBondContact CB-O 3.3Å; D65-K70 PolarHBondContact N-O 2.87Å; D65-K70 WeakPolarHBondContact OD2-CE 3.5Å; D65-K70 IonicContact OD2-NZ 3.86Å; D65-I72 HydrophobicContact CB-CD1 3.6Å; D65-I72 HydrophobicContact CB-CG1 3.97Å; D65-I72 VanDerWaalsContact CG-CD1 3.42Å
66	V	93	Very high	96.2	Very high	76 Å²	76	63.4 Å²	63.4	46%	0.461	29%	0.294	S	S	.	.	S	Bend	trans	-86.3	-31.1	-176.5	-172.6	0	0	0	0	110.6	A35 I41	A35-V66 HydrophobicContact CB-CG2 4.03Å; I41-V66 HydrophobicContact CD1-CG2 3.52Å
67	Y	93.3	Very high	96.2	Very high	160 Å²	160	63.4 Å²	63.4	63%	0.627	29%	0.294	S	S	*	.	S	Bend	trans	-99.8	-15	-172.2	-58	-72.9	0	0	0	114.1	D65	D65-Y67 PolarHBondContact OD1-N 3.1Å
68	S	93.3	Very high	96.2	Very high	66 Å²	66	62 Å²	62	46%	0.462	29%	0.285	S	S	.	.	S	Bend	trans	-149.8	156.9	-177	-56.4	0	0	0	0	111	D65 K70	D65-S68 WeakPolarHBondContact CB-O 3.34Å; S68-K70 VanDerWaalsContact C-N 3.26Å; S68-K70 PolarHBondContact O-N 2.76Å
69	Y	95.2	Very high	96.2	Very high	204 Å²	204	62.1 Å²	62.1	80%	0.8	29%	0.286	S	S	*	.	S	Bend	trans	-76.5	74.8	177.1	-170.6	-106.7	0	0	0	111.6
70	K	95.8	Very high	96.2	Very high	120 Å²	120	66.9 Å²	66.9	52%	0.522	31%	0.308	S	S	.	.			trans	-146.9	159.1	175.3	66	-178	171.4	-170.6	0	112.6	D65 S68	D65-K70 HydrophobicContact CB-CG 3.68Å; D65-K70 WeakPolarHBondContact CB-O 3.3Å; D65-K70 PolarHBondContact N-O 2.87Å; D65-K70 WeakPolarHBondContact OD2-CE 3.5Å; D65-K70 IonicContact OD2-NZ 3.86Å; S68-K70 VanDerWaalsContact C-N 3.26Å; S68-K70 PolarHBondContact O-N 2.76Å
71	L	94.8	Very high	96.1	Very high	120 Å²	120	65.7 Å²	65.7	63%	0.628	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.4	171.4	-68.9	175.5	0	0	0	110.5	F63	F63-L71 CarbonylContact O-C 3.5Å; F63-L71 WeakPolarHBondContact O-CA 3.38Å
72	I	95.1	Very high	96	Very high	49 Å²	49	66.4 Å²	66.4	25%	0.251	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.3	174.2	-63.2	172.5	0	0	0	108.6	F63 D65 Q74	F63-I72 PolarHBondContact N-O 3.46Å; F63-I72 PolarHBondContact O-N 3.31Å; D65-I72 HydrophobicContact CB-CD1 3.6Å; D65-I72 HydrophobicContact CB-CG1 3.97Å; D65-I72 VanDerWaalsContact CG-CD1 3.42Å; I72-Q74 HydrophobicContact CG2-CG 4.28Å
73	K	95.5	Very high	96	Very high	169 Å²	169	71 Å²	71	74%	0.735	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	133.1	174	-61.5	175.8	-175.2	174	0	109.4
74	Q	96.4	Very high	96	Very high	26 Å²	26	75 Å²	75	12%	0.121	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.9	174.2	-63.6	-65	-20.8	0	0	110.2	R30 K60 V61 F63 I72 F76	R30-Q74 HydrophobicContact CG-CG 3.79Å; K60-Q74 WeakPolarHBondContact CA-O 3.18Å; V61-Q74 PolarHBondContact N-O 2.82Å; V61-Q74 PolarHBondContact O-N 2.92Å; F63-Q74 HydrophobicContact CD2-CB 4.37Å; F63-Q74 HydrophobicContact CD2-CG 4.06Å; F63-Q74 HydrophobicContact CE2-CB 4.2Å; F63-Q74 HydrophobicContact CE2-CG 4.22Å; I72-Q74 HydrophobicContact CG2-CG 4.28Å; Q74-F76 HydrophobicContact CB-CD1 4.12Å; Q74-F76 HydrophobicContact CB-CE1 3.59Å; Q74-F76 HydrophobicContact CB-CZ 4.22Å; Q74-F76 HydrophobicContact CG-CE1 4.35Å
75	T	97	Very high	96	Very high	28 Å²	28	69.7 Å²	69.7	17%	0.172	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	105.6	178.7	-51	0	0	0	0	108.6	A27 K28 L58	A27-T75 CarbonylContact C-O 3.43Å; A27-T75 WeakPolarHBondContact CA-O 3.16Å; K28-T75 PolarHBondContact N-O 3.48Å; L58-T75 HydrophobicContact CB-CG2 3.85Å; L58-T75 HydrophobicContact CD1-CG2 3.56Å; L58-T75 HydrophobicContact CG-CG2 4.2Å
76	F	97.2	Very high	96.2	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.009	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	160.9	177	-65.3	-8.8	0	0	0	110.9	K28 R30 L58 A59 V61 F63 Q74 V88 I101 M165	K28-F76 WeakPolarHBondContact O-CD1 3.14Å; K28-F76 WeakPolarHBondContact O-CE1 3.18Å; R30-F76 HydrophobicContact CG-CE1 4.38Å; R30-F76 HydrophobicContact CG-CZ 4.07Å; L58-F76 CarbonylContact C-O 3.57Å; L58-F76 WeakPolarHBondContact CA-O 3.45Å; L58-F76 WeakPolarHBondContact CB-O 3.46Å; L58-F76 WeakPolarHBondContact CD2-O 3.47Å; A59-F76 HydrophobicContact CB-CB 4.45Å; A59-F76 PolarHBondContact N-O 2.83Å; A59-F76 PolarHBondContact O-N 2.81Å; V61-F76 HydrophobicContact CB-CD2 4.19Å; V61-F76 HydrophobicContact CB-CE2 4.13Å; V61-F76 HydrophobicContact CG1-CE2 4.36Å; V61-F76 HydrophobicContact CG2-CB 4.47Å; V61-F76 HydrophobicContact CG2-CD2 3.52Å; V61-F76 HydrophobicContact CG2-CE2 3.93Å; V61-F76 HydrophobicContact CG2-CG 4.1Å; F63-F76 HydrophobicContact CE2-CE1 4.41Å; F63-F76 AromaticContact CE2-CE2 3.94Å; F63-F76 HydrophobicContact CE2-CE2 3.94Å; F63-F76 AromaticContact CE2-CZ 3.55Å; F63-F76 HydrophobicContact CE2-CZ 3.55Å; F63-F76 AromaticContact CZ-CE2 3.78Å; F63-F76 HydrophobicContact CZ-CE2 3.78Å; F63-F76 AromaticContact CZ-CZ 3.68Å; F63-F76 HydrophobicContact CZ-CZ 3.68Å; Q74-F76 HydrophobicContact CB-CD1 4.12Å; Q74-F76 HydrophobicContact CB-CE1 3.59Å; Q74-F76 HydrophobicContact CB-CZ 4.22Å; Q74-F76 HydrophobicContact CG-CE1 4.35Å; F76-V88 HydrophobicContact CE2-CG1 4.32Å; F76-I101 HydrophobicContact CD2-CD1 3.87Å; F76-I101 HydrophobicContact CE2-CD1 3.32Å; F76-I101 HydrophobicContact CZ-CD1 3.69Å; F76-M165 HydrophobicContact CB-CE 4.04Å; F76-M165 HydrophobicContact CD2-CE 3.77Å; F76-M165 HydrophobicContact CG-CE 4.18Å
77	I	97.8	Very high	96.4	Very high	0 Å²	0	71 Å²	71	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	132.7	158.4	-65.4	172.7	0	0	0	106.1	A27 A56 L58 A79 R128 V169	A27-I77 HydrophobicContact CB-CG1 3.88Å; A56-I77 HydrophobicContact CB-CG2 4.18Å; L58-I77 HydrophobicContact CD2-CG1 4.17Å; I77-A79 PolarHBondContact O-N 3.22Å; I77-R128 HydrophobicContact CD1-CB 3.5Å; I77-R128 HydrophobicContact CD1-CG 3.78Å; I77-R128 VanDerWaalsContact CD1-NE 3.29Å; I77-V169 HydrophobicContact CG2-CB 4.35Å; I77-V169 HydrophobicContact CG2-CG1 3.46Å; I77-V169 VanDerWaalsContact CG2-CG1 3.46Å; I77-V169 HydrophobicContact CG2-CG2 4.03Å
78	A	97.8	Very high	96.6	Very high	2 Å²	2	63.4 Å²	63.4	2%	0.017	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-76.6	121.9	176	0	0	0	0	0	109.9	P57 A59 L82 A170	P57-A78 HydrophobicContact CG-CB 4.2Å; P57-A78 PolarHBondContact O-N 3.17Å; P57-A78 VanDerWaalsContact O-N 3.14Å; A59-A78 HydrophobicContact CB-CB 4.16Å; A78-L82 HydrophobicContact CB-CD1 4.41Å; A78-A170 WeakPolarHBondContact O-CB 3.38Å; A78-A170 PolarHBondContact O-N 3.39Å
79	A	97.7	Very high	96.8	Very high	2 Å²	2	63.3 Å²	63.3	2%	0.017	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-63.7	151.4	156.8	0	0	0	0	0	110.8	I77 L82 I98 M165 L168	I77-A79 PolarHBondContact O-N 3.22Å; A79-L82 HydrophobicContact CB-CD1 3.87Å; A79-L82 VanDerWaalsContact N-CD1 3.32Å; A79-L82 WeakPolarHBondContact O-CB 3.39Å; A79-L82 PolarHBondContact O-N 3.35Å; A79-I98 HydrophobicContact CB-CG2 4.38Å; A79-M165 HydrophobicContact CB-CG 4.29Å; A79-M165 HydrophobicContact CB-SD 3.74Å; A79-L168 CarbonylContact C-O 3.45Å; A79-L168 WeakPolarHBondContact CA-O 3.39Å
80	E	97.2	Very high	96.9	Very high	102 Å²	102	53.6 Å²	53.6	48%	0.477	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	138.4	173.2	-166.1	161.7	144.2	0	0	110.4	I98 L168 A170	E80-I98 WeakPolarHBondContact O-CG2 3.19Å; E80-L168 HydrophobicContact CB-CD1 3.59Å; E80-L168 HydrophobicContact CB-CG 4.26Å; E80-L168 HydrophobicContact CG-CD1 4.32Å; E80-L168 PolarHBondContact N-O 3.31Å; E80-L168 WeakPolarHBondContact OE2-CD1 3.25Å; E80-A170 HydrophobicContact CB-CB 4.35Å
81	G	95.9	Very high	97	Very high	57 Å²	57	48 Å²	48	59%	0.588	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	-8	-173.5	0	0	0	0	0	115.3
82	L	96.1	Very high	97.1	Very high	17 Å²	17	48.4 Å²	48.4	9%	0.089	26%	0.257	C	S	.	.			trans	-67.3	134.9	169.6	-88.6	154.7	0	0	0	111.1	V45 I48 A78 A79 Q86 V88 M165	V45-L82 HydrophobicContact CG2-CD2 3.74Å; I48-L82 HydrophobicContact CD1-CB 4.47Å; I48-L82 WeakPolarHBondContact CD1-O 3.48Å; A78-L82 HydrophobicContact CB-CD1 4.41Å; A79-L82 HydrophobicContact CB-CD1 3.87Å; A79-L82 VanDerWaalsContact N-CD1 3.32Å; A79-L82 WeakPolarHBondContact O-CB 3.39Å; A79-L82 PolarHBondContact O-N 3.35Å; L82-Q86 VanDerWaalsContact CA-OE1 3.29Å; L82-V88 HydrophobicContact CD2-CG2 3.71Å; L82-M165 HydrophobicContact CD1-SD 4.2Å
83	H	97.6	Very high	97.2	Very high	109 Å²	109	53.2 Å²	53.2	51%	0.505	28%	0.276	S	S	.	.			trans	-130.2	163.1	176.1	63.2	87.7	0	0	0	112.3	V45 Q86	V45-H83 WeakPolarHBondContact CB-O 3.32Å; H83-Q86 PolarHBondContact CD2-OE1 2.84Å; H83-Q86 VanDerWaalsContact N-OE1 3.08Å; H83-Q86 VanDerWaalsContact O-CB 3.23Å; H83-Q86 WeakPolarHBondContact O-CB 3.34Å; H83-Q86 PolarHBondContact O-N 3.15Å
84	T	97.9	Very high	97.2	Very high	84 Å²	84	45.7 Å²	45.7	52%	0.515	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	145.7	174.7	45.1	0	0	0	0	110.8	I48 Q86	I48-T84 HydrophobicContact CG1-CG2 4.49Å; T84-Q86 PolarHBondContact O-N 2.89Å
85	G	97.4	Very high	97.2	Very high	49 Å²	49	52.2 Å²	52.2	51%	0.505	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-15	-175	0	0	0	0	0	114.7	V45	V45-G85 PolarHBondContact O-N 3.15Å
86	Q	97.7	Very high	97.2	Very high	39 Å²	39	54.8 Å²	54.8	18%	0.182	29%	0.285	C	S	.	.			trans	-62.4	140	178.3	-165.9	179.3	-8.8	0	0	111.7	V45 L82 H83 T84	V45-Q86 HydrophobicContact CG2-CB 4.3Å; V45-Q86 PolarHBondContact N-O 3.19Å; L82-Q86 VanDerWaalsContact CA-OE1 3.29Å; H83-Q86 PolarHBondContact CD2-OE1 2.84Å; H83-Q86 VanDerWaalsContact N-OE1 3.08Å; H83-Q86 VanDerWaalsContact O-CB 3.23Å; H83-Q86 WeakPolarHBondContact O-CB 3.34Å; H83-Q86 PolarHBondContact O-N 3.15Å; T84-Q86 PolarHBondContact O-N 2.89Å
87	F	97.9	Very high	97.2	Very high	86 Å²	86	59.7 Å²	59.7	38%	0.377	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	128.6	168.9	-67.1	-64	0	0	0	110.9	R42 G43 V44 Y89	R42-F87 HydrophobicContact CG-CB 4.05Å; R42-F87 HydrophobicContact CG-CD1 3.58Å; R42-F87 HydrophobicContact CG-CE1 4.33Å; R42-F87 HydrophobicContact CG-CG 4.07Å; G43-F87 CarbonylContact O-C 3.58Å; G43-F87 WeakPolarHBondContact O-CA 3.38Å; V44-F87 HydrophobicContact CG2-CD1 3.59Å; V44-F87 HydrophobicContact CG2-CE1 3.39Å; V44-F87 HydrophobicContact CG2-CZ 4.48Å; F87-Y89 HydrophobicContact CB-CE2 3.76Å
88	V	97.6	Very high	97.2	Very high	1 Å²	1	64 Å²	64	1%	0.006	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.6	172.2	173.2	0	0	0	0	108.5	R42 G43 V45 V61 F76 L82 G99 I101	R42-V88 CarbonylContact C-O 3.58Å; R42-V88 WeakPolarHBondContact CA-O 3.4Å; G43-V88 PolarHBondContact N-O 2.87Å; G43-V88 PolarHBondContact O-N 2.82Å; V45-V88 HydrophobicContact CG2-CG2 3.67Å; V61-V88 HydrophobicContact CG1-CB 4.45Å; F76-V88 HydrophobicContact CE2-CG1 4.32Å; L82-V88 HydrophobicContact CD2-CG2 3.71Å; V88-G99 VanDerWaalsContact CG1-O 3.3Å; V88-G99 WeakPolarHBondContact CG1-O 3.38Å; V88-I101 HydrophobicContact CG1-CD1 4.46Å
89	Y	98.1	Very high	97.2	Very high	64 Å²	64	63.9 Å²	63.9	25%	0.251	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.3	177.6	-59.5	-95.1	0	0	0	109.8	Y40 I41 R42 F87 N100 I101	Y40-Y89 AromaticContact CD2-CD1 3.89Å; Y40-Y89 HydrophobicContact CD2-CD1 3.89Å; Y40-Y89 HydrophobicContact CE2-CD1 4.21Å; Y40-Y89 HydrophobicContact CE2-CE1 4.43Å; I41-Y89 WeakPolarHBondContact O-CA 3.42Å; R42-Y89 HydrophobicContact CB-CD1 4.13Å; R42-Y89 HydrophobicContact CB-CE1 4Å; R42-Y89 HydrophobicContact CG-CD1 4.3Å; R42-Y89 HydrophobicContact CG-CE1 3.86Å; F87-Y89 HydrophobicContact CB-CE2 3.76Å; Y89-N100 PolarHBondContact N-OD1 2.93Å; Y89-N100 WeakPolarHBondContact O-CA 3.44Å; Y89-N100 WeakPolarHBondContact O-CB 3.31Å; Y89-I101 PolarHBondContact O-N 2.89Å
90	C	97.5	Very high	97.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.1	177.1	-54	0	0	0	0	109.8	E36 Y40 I41 I101	E36-C90 HydrophobicContact CG-CB 3.96Å; Y40-C90 CarbonylContact C-O 3.54Å; Y40-C90 WeakPolarHBondContact CA-O 3.38Å; I41-C90 HydrophobicContact CG2-CB 4.05Å; I41-C90 PolarHBondContact N-O 3.4Å; I41-C90 PolarHBondContact O-N 2.86Å; C90-I101 CarbonylContact C-O 3.58Å; C90-I101 WeakPolarHBondContact CA-O 3.33Å; C90-I101 HydrophobicContact CB-CB 4.24Å; C90-I101 WeakPolarHBondContact SG-CD1 3.43Å
91	G	97	Very high	97.2	Very high	1 Å²	1	59 Å²	59	1%	0.01	31%	0.306	C	S	.	.	S	Bend	trans	142.6	176.1	169.6	0	0	0	0	0	114.6	E36 G39 K93 A94 I101	E36-G91 CarbonylContact O-C 3.54Å; E36-G91 VanDerWaalsContact O-CA 3.23Å; E36-G91 WeakPolarHBondContact O-CA 3.23Å; G39-G91 CarbonylContact O-C 3.58Å; G39-G91 WeakPolarHBondContact O-CA 3.38Å; G91-K93 VanDerWaalsContact C-N 3.33Å; G91-K93 PolarHBondContact O-N 3.46Å; G91-A94 WeakPolarHBondContact O-CB 3.29Å; G91-A94 PolarHBondContact O-N 2.84Å; G91-I101 PolarHBondContact N-O 3.04Å
92	K	96.4	Very high	97.3	Very high	130 Å²	130	56.5 Å²	56.5	57%	0.565	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-36.5	-177.5	-172.7	179.2	178.6	-175.4	0	113.7	E36 G39 P103	E36-K92 PolarHBondContact O-N 2.79Å; G39-K92 PolarHBondContact O-N 3.11Å; K92-P103 HydrophobicContact CB-CG 4.16Å; K92-P103 HydrophobicContact CG-CG 4.42Å
93	K	96.9	Very high	97.4	Very high	150 Å²	150	56.7 Å²	56.7	65%	0.652	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	9.6	-178.8	-64.1	-172.6	-179	-178.3	0	113.4	H38 G39 Y40 G91	H38-K93 WeakPolarHBondContact O-CE 3.46Å; G39-K93 PolarHBondContact O-N 3.01Å; Y40-K93 HydrophobicContact CD1-CB 4Å; G91-K93 VanDerWaalsContact C-N 3.33Å; G91-K93 PolarHBondContact O-N 3.46Å
94	A	97.1	Very high	97.4	Very high	11 Å²	11	51.5 Å²	51.5	9%	0.091	26%	0.258	C	S	.	.			trans	-67.8	151.1	176.7	0	0	0	0	0	110.5	G91 L102	G91-A94 WeakPolarHBondContact O-CB 3.29Å; G91-A94 PolarHBondContact O-N 2.84Å; A94-L102 HydrophobicContact CB-CD2 4.28Å; A94-L102 HydrophobicContact CB-CG 4.09Å; A94-L102 WeakPolarHBondContact O-CD2 3.35Å
95	K	96.7	Very high	97.3	Very high	162 Å²	162	49.2 Å²	49.2	70%	0.704	25%	0.251	S	S	*	.			trans	-74.9	148.3	175.5	-67.7	-174	177.9	-176	0	110.5	Q97 N100	K95-Q97 HydrophobicContact CB-CG 4.46Å; K95-Q97 PolarHBondContact O-N 2.86Å; K95-N100 PolarHBondContact O-ND2 2.74Å
96	L	96.8	Very high	97.2	Very high	82 Å²	82	49.4 Å²	49.4	43%	0.429	25%	0.248	S	C	.	.			trans	-75.2	95.1	175.7	-165.1	150.4	0	0	0	109.8	M107 P108 T111 V166	L96-M107 HydrophobicContact CD1-CB 4.34Å; L96-M107 HydrophobicContact CD1-CG 4.45Å; L96-P108 HydrophobicContact CD1-CG 3.96Å; L96-T111 HydrophobicContact CD1-CG2 4.25Å; L96-V166 HydrophobicContact CD2-CG1 4.21Å; L96-V166 HydrophobicContact CG-CG2 4.42Å
97	Q	97.3	Very high	97.2	Very high	105 Å²	105	47.8 Å²	47.8	49%	0.491	24%	0.24	S	C	.	.			trans	-141.1	153.9	176.2	-62.6	179.9	-56.2	0	0	109.3	K95 G99 N100 V166	K95-Q97 HydrophobicContact CB-CG 4.46Å; K95-Q97 PolarHBondContact O-N 2.86Å; Q97-G99 PolarHBondContact O-N 3.12Å; Q97-N100 WeakPolarHBondContact O-CB 3.19Å; Q97-N100 PolarHBondContact O-N 2.9Å; Q97-N100 VanDerWaalsContact O-N 3.09Å; Q97-V166 WeakPolarHBondContact O-CB 3.44Å
98	I	97.1	Very high	97.2	Very high	90 Å²	90	47.4 Å²	47.4	46%	0.462	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	131.8	179.2	-62.8	173.9	0	0	0	110.2	A79 E80 N100	A79-I98 HydrophobicContact CB-CG2 4.38Å; E80-I98 WeakPolarHBondContact O-CG2 3.19Å; I98-N100 VanDerWaalsContact C-N 3.31Å; I98-N100 PolarHBondContact O-N 3.14Å
99	G	96.6	Very high	97.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	89	-20	-178.5	0	0	0	0	0	114.8	V88 Q97 V166	V88-G99 VanDerWaalsContact CG1-O 3.3Å; V88-G99 WeakPolarHBondContact CG1-O 3.38Å; Q97-G99 PolarHBondContact O-N 3.12Å; G99-V166 PolarHBondContact N-O 3.34Å
100	N	97.9	Very high	97.1	Very high	1 Å²	1	52 Å²	52	1%	0.005	28%	0.283	C	S	.	.			trans	-69.3	151.2	174.4	-70.4	-11.4	0	0	0	111.2	Y89 K95 Q97 I98 L102 M165 V166	Y89-N100 PolarHBondContact N-OD1 2.93Å; Y89-N100 WeakPolarHBondContact O-CA 3.44Å; Y89-N100 WeakPolarHBondContact O-CB 3.31Å; K95-N100 PolarHBondContact O-ND2 2.74Å; Q97-N100 WeakPolarHBondContact O-CB 3.19Å; Q97-N100 PolarHBondContact O-N 2.9Å; Q97-N100 VanDerWaalsContact O-N 3.09Å; I98-N100 VanDerWaalsContact C-N 3.31Å; I98-N100 PolarHBondContact O-N 3.14Å; N100-L102 HydrophobicContact CB-CD1 3.9Å; N100-M165 CarbonylContact O-C 3.15Å; N100-M165 WeakPolarHBondContact O-CA 3.41Å; N100-V166 PolarHBondContact O-N 3.03Å
101	I	98.2	Very high	97.1	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	116.3	-177.6	-65.5	149.3	0	0	0	108.4	L29 F76 V88 Y89 C90 G91 R163 A164 M165	L29-I101 HydrophobicContact CD1-CG2 4.24Å; L29-I101 HydrophobicContact CD2-CD1 3.6Å; L29-I101 HydrophobicContact CD2-CG1 3.9Å; L29-I101 HydrophobicContact CD2-CG2 4.28Å; F76-I101 HydrophobicContact CD2-CD1 3.87Å; F76-I101 HydrophobicContact CE2-CD1 3.32Å; F76-I101 HydrophobicContact CZ-CD1 3.69Å; V88-I101 HydrophobicContact CG1-CD1 4.46Å; Y89-I101 PolarHBondContact O-N 2.89Å; C90-I101 CarbonylContact C-O 3.58Å; C90-I101 WeakPolarHBondContact CA-O 3.33Å; C90-I101 HydrophobicContact CB-CB 4.24Å; C90-I101 WeakPolarHBondContact SG-CD1 3.43Å; G91-I101 PolarHBondContact N-O 3.04Å; I101-R163 HydrophobicContact CG2-CB 4.06Å; I101-A164 WeakPolarHBondContact CA-O 3.42Å; I101-M165 HydrophobicContact CD1-CE 3.93Å; I101-M165 HydrophobicContact CG1-CB 4.01Å; I101-M165 HydrophobicContact CG1-CE 4.05Å; I101-M165 HydrophobicContact CG1-CG 4.33Å
102	L	97.6	Very high	97.2	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	157.7	-179.3	-54.1	88.2	0	0	0	110.5	A94 N100 M107 R163 A164 V166	A94-L102 HydrophobicContact CB-CD2 4.28Å; A94-L102 HydrophobicContact CB-CG 4.09Å; A94-L102 WeakPolarHBondContact O-CD2 3.35Å; N100-L102 HydrophobicContact CB-CD1 3.9Å; L102-M107 HydrophobicContact CB-CE 3.6Å; L102-M107 HydrophobicContact CB-CG 4.34Å; L102-M107 HydrophobicContact CD1-CE 3.96Å; L102-M107 HydrophobicContact CG-CE 4.37Å; L102-M107 WeakPolarHBondContact O-CE 3.29Å; L102-R163 WeakPolarHBondContact O-CA 3.4Å; L102-A164 PolarHBondContact N-O 3.36Å; L102-A164 PolarHBondContact O-N 3.27Å; L102-V166 HydrophobicContact CD1-CG2 3.53Å
103	P	97.8	Very high	97.3	Very high	21 Å²	21	49 Å²	49	14%	0.136	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	137.4	161.8	-19.7	32.7	0	0	0	110.1	K92 G105 A106 C162	K92-P103 HydrophobicContact CB-CG 4.16Å; K92-P103 HydrophobicContact CG-CG 4.42Å; P103-G105 PolarHBondContact O-N 3.33Å; P103-A106 PolarHBondContact O-N 3.13Å; P103-C162 CarbonylContact C-O 3.53Å; P103-C162 WeakPolarHBondContact CA-O 3.27Å
104	I	97.4	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-62.4	-31.6	-176.9	-49.5	143.4	0	0	0	110.5	A106 M107 L116 V136 H139 T146 V148 L158 C162 A164	I104-A106 PolarHBondContact O-N 3.46Å; I104-M107 PolarHBondContact O-N 2.99Å; I104-L116 HydrophobicContact CD1-CD1 3.24Å; I104-L116 HydrophobicContact CD1-CG 4.49Å; I104-L116 HydrophobicContact CG1-CD1 3.5Å; I104-V136 HydrophobicContact CG2-CG1 4.25Å; I104-V136 HydrophobicContact CG2-CG2 3.54Å; I104-H139 PolarHBondContact O-CE1 3.03Å; I104-H139 VanDerWaalsContact O-CE1 3.27Å; I104-T146 HydrophobicContact CG2-CG2 3.69Å; I104-V148 HydrophobicContact CG2-CG2 4.16Å; I104-L158 HydrophobicContact CD1-CD1 4.44Å; I104-C162 HydrophobicContact CD1-CB 3.48Å; I104-C162 VanDerWaalsContact CD1-CB 3.48Å; I104-C162 VanDerWaalsContact CD1-O 3.29Å; I104-C162 WeakPolarHBondContact CD1-O 3.49Å; I104-C162 WeakPolarHBondContact CG1-O 2.78Å; I104-C162 PolarHBondContact N-O 3.2Å; I104-A164 HydrophobicContact CG1-CB 4.11Å
105	G	96.2	Very high	97.4	Very high	37 Å²	37	41.3 Å²	41.3	38%	0.381	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-68.1	-13.2	176.2	0	0	0	0	0	115.5	P103 S160	P103-G105 PolarHBondContact O-N 3.33Å; G105-S160 PolarHBondContact N-O 3.25Å
106	A	95.9	Very high	97.4	Very high	53 Å²	53	33.6 Å²	33.6	44%	0.438	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-94.4	-6.5	175.6	0	0	0	0	0	112.6	P103 I104	P103-A106 PolarHBondContact O-N 3.13Å; I104-A106 PolarHBondContact O-N 3.46Å
107	M	97.2	Very high	97.5	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.02	19%	0.186	C	C	.	.	S	Bend	trans	-93.9	143.3	177.2	-58.6	178.5	-176	0	0	109.1	L96 L102 I104 T111 V113 H139 A164 V166	L96-M107 HydrophobicContact CD1-CB 4.34Å; L96-M107 HydrophobicContact CD1-CG 4.45Å; L102-M107 HydrophobicContact CB-CE 3.6Å; L102-M107 HydrophobicContact CB-CG 4.34Å; L102-M107 HydrophobicContact CD1-CE 3.96Å; L102-M107 HydrophobicContact CG-CE 4.37Å; L102-M107 WeakPolarHBondContact O-CE 3.29Å; I104-M107 PolarHBondContact O-N 2.99Å; M107-T111 HydrophobicContact CB-CG2 4.17Å; M107-T111 HydrophobicContact CG-CG2 4.42Å; M107-T111 HydrophobicContact SD-CG2 3.92Å; M107-V113 HydrophobicContact CE-CG1 3.98Å; M107-V113 HydrophobicContact SD-CG1 3.31Å; M107-V113 WeakPolarHBondContact SD-CG1 3.37Å; M107-H139 PolarHBondContact O-CE1 3.33Å; M107-H139 VanDerWaalsContact O-CE1 3.26Å; M107-H139 PolarHBondContact O-NE2 3.36Å; M107-A164 HydrophobicContact CE-CB 4.25Å; M107-A164 WeakPolarHBondContact CE-O 3.49Å; M107-V166 HydrophobicContact CE-CG2 3.58Å; M107-V166 HydrophobicContact SD-CG2 4.17Å
108	P	97.4	Very high	97.4	Very high	78 Å²	78	28.5 Å²	28.5	51%	0.506	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-68.4	161.7	173.2	29.4	-32.4	0	0	0	111.5	L96 T111	L96-P108 HydrophobicContact CD1-CG 3.96Å; P108-T111 VanDerWaalsContact CD-OG1 3.32Å; P108-T111 WeakPolarHBondContact CD-OG1 3.35Å; P108-T111 WeakPolarHBondContact CG-OG1 3.32Å; P108-T111 WeakPolarHBondContact O-CB 3.24Å; P108-T111 PolarHBondContact O-N 2.96Å; P108-T111 PolarHBondContact O-OG1 2.64Å
109	E	97.5	Very high	97.4	Very high	113 Å²	113	31.4 Å²	31.4	53%	0.528	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	148.5	173.2	-57.5	-174.8	170.4	0	0	110.8	T111 A138 H139	E109-T111 PolarHBondContact O-N 3.3Å; E109-A138 VanDerWaalsContact OE1-CA 3.25Å; E109-A138 WeakPolarHBondContact OE1-CA 3.47Å; E109-H139 VanDerWaalsContact CG-CD2 3.47Å; E109-H139 WeakPolarHBondContact CG-CD2 3.3Å; E109-H139 IonicContact OE1-CD2 2.76Å; E109-H139 PolarHBondContact OE1-N 3.42Å
110	G	97.2	Very high	97.3	Very high	49 Å²	49	34.1 Å²	34.1	51%	0.505	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-10.8	-173.8	0	0	0	0	0	114.9	V112 V136	G110-V112 PolarHBondContact O-N 3.19Å; G110-V136 WeakPolarHBondContact CA-O 3.43Å; G110-V136 PolarHBondContact N-O 2.92Å
111	T	98	Very high	97.2	Very high	13 Å²	13	35.5 Å²	35.5	8%	0.08	22%	0.223	C	C	.	.			trans	-58.8	130.4	179.3	-56	0	0	0	0	111.6	L96 M107 P108 E109 V113 V136 V166	L96-T111 HydrophobicContact CD1-CG2 4.25Å; M107-T111 HydrophobicContact CB-CG2 4.17Å; M107-T111 HydrophobicContact CG-CG2 4.42Å; M107-T111 HydrophobicContact SD-CG2 3.92Å; P108-T111 VanDerWaalsContact CD-OG1 3.32Å; P108-T111 WeakPolarHBondContact CD-OG1 3.35Å; P108-T111 WeakPolarHBondContact CG-OG1 3.32Å; P108-T111 WeakPolarHBondContact O-CB 3.24Å; P108-T111 PolarHBondContact O-N 2.96Å; P108-T111 PolarHBondContact O-OG1 2.64Å; E109-T111 PolarHBondContact O-N 3.3Å; T111-V113 HydrophobicContact CG2-CG1 3.95Å; T111-V136 PolarHBondContact O-N 3.1Å; T111-V166 HydrophobicContact CG2-CG1 4.44Å
112	V	98	Very high	97.1	Very high	54 Å²	54	37.3 Å²	37.3	33%	0.327	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	125.6	174.7	-179.6	0	0	0	0	109.5	G110 Y133 G167 L168	G110-V112 PolarHBondContact O-N 3.19Å; V112-Y133 HydrophobicContact CG1-CD2 3.78Å; V112-Y133 HydrophobicContact CG1-CG 3.76Å; V112-G167 PolarHBondContact O-N 2.88Å; V112-L168 HydrophobicContact CG1-CB 4.36Å
113	V	98.1	Very high	97	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.1	-175.9	-58.7	0	0	0	0	112.8	M107 T111 L116 Y133 A134 V136 A164 M165 G167	M107-V113 HydrophobicContact CE-CG1 3.98Å; M107-V113 HydrophobicContact SD-CG1 3.31Å; M107-V113 WeakPolarHBondContact SD-CG1 3.37Å; T111-V113 HydrophobicContact CG2-CG1 3.95Å; V113-L116 HydrophobicContact CG2-CD1 4.5Å; V113-Y133 CarbonylContact O-C 3.58Å; V113-Y133 WeakPolarHBondContact O-CA 3.35Å; V113-A134 HydrophobicContact CG2-CB 4.14Å; V113-A134 WeakPolarHBondContact CG2-O 3.43Å; V113-A134 PolarHBondContact N-O 3Å; V113-A134 PolarHBondContact O-N 3.1Å; V113-V136 HydrophobicContact CG1-CG2 4.36Å; V113-A164 HydrophobicContact CB-CB 3.71Å; V113-A164 HydrophobicContact CG1-CB 4.08Å; V113-A164 HydrophobicContact CG2-CB 3.93Å; V113-M165 CarbonylContact C-O 3.56Å; V113-M165 WeakPolarHBondContact CA-O 3.2Å; V113-M165 WeakPolarHBondContact CB-O 3.35Å; V113-G167 CarbonylContact C-O 3.51Å; V113-G167 WeakPolarHBondContact CA-O 3.44Å
114	C	98.1	Very high	97	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	171.2	174.2	64.5	0	0	0	0	111.9	L116 M165 G167 V169	C114-L116 PolarHBondContact O-N 2.77Å; C114-L116 VanDerWaalsContact O-N 3.12Å; C114-M165 PolarHBondContact N-O 3.43Å; C114-M165 PolarHBondContact O-N 3.25Å; C114-G167 WeakPolarHBondContact CB-O 3.42Å; C114-G167 PolarHBondContact N-O 2.98Å; C114-G167 VanDerWaalsContact N-O 3.14Å; C114-G167 PolarHBondContact SG-O 2.83Å; C114-V169 HydrophobicContact CB-CG2 3.49Å; C114-V169 VanDerWaalsContact CB-CG2 3.49Å
115	N	97.5	Very high	96.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	50.3	38.6	-179.2	-161.8	34.7	0	0	0	114.1	L29 G124 L126 A127 R128	L29-N115 VanDerWaalsContact CD2-ND2 3.26Å; L29-N115 WeakPolarHBondContact CD2-ND2 3.33Å; L29-N115 WeakPolarHBondContact CG-ND2 3.5Å; N115-G124 WeakPolarHBondContact O-CA 3.27Å; N115-L126 CarbonylContact C-O 3.47Å; N115-L126 WeakPolarHBondContact CA-O 3.49Å; N115-L126 PolarHBondContact N-O 2.83Å; N115-A127 PolarHBondContact N-O 2.98Å; N115-R128 WeakPolarHBondContact OD1-CD 3.26Å; N115-R128 WeakPolarHBondContact OD1-CG 3.4Å; N115-R128 PolarHBondContact OD1-NE 2.97Å; N115-R128 VanDerWaalsContact OD1-NE 3.17Å
116	L	97.9	Very high	97	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-66.7	135.7	-174.7	174.2	75	0	0	0	111.9	I104 V113 C114 R125 L126 A134 V148 L150 L158 A164	I104-L116 HydrophobicContact CD1-CD1 3.24Å; I104-L116 HydrophobicContact CD1-CG 4.49Å; I104-L116 HydrophobicContact CG1-CD1 3.5Å; V113-L116 HydrophobicContact CG2-CD1 4.5Å; C114-L116 PolarHBondContact O-N 2.77Å; C114-L116 VanDerWaalsContact O-N 3.12Å; L116-R125 PolarHBondContact O-N 2.92Å; L116-L126 HydrophobicContact CB-CB 4Å; L116-L126 HydrophobicContact CD2-CB 4.07Å; L116-L126 HydrophobicContact CD2-CD1 3.96Å; L116-L126 HydrophobicContact CG-CB 4.28Å; L116-L126 HydrophobicContact CG-CD1 4.37Å; L116-L126 PolarHBondContact N-O 2.91Å; L116-L126 PolarHBondContact O-N 2.86Å; L116-A134 HydrophobicContact CD2-CB 4.22Å; L116-V148 HydrophobicContact CD2-CB 4.49Å; L116-V148 HydrophobicContact CD2-CG1 3.84Å; L116-L150 HydrophobicContact CD2-CD2 4.31Å; L116-L158 HydrophobicContact CD1-CD1 4.28Å; L116-L158 HydrophobicContact CD2-CD1 3.65Å; L116-L158 HydrophobicContact CG-CD1 4.04Å; L116-A164 HydrophobicContact CB-CB 4.28Å; L116-A164 HydrophobicContact CD1-CB 3.59Å
117	E	98.1	Very high	97.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.			trans	-71.5	140.5	171.7	-65.2	-169.5	153.7	0	0	111.3	L29 G121 D122 R123 C162 R163	L29-E117 HydrophobicContact CD1-CG 4.07Å; E117-G121 PolarHBondContact OE2-N 3.44Å; E117-D122 VanDerWaalsContact CA-OD1 3.23Å; E117-D122 WeakPolarHBondContact CA-OD1 2.92Å; E117-D122 WeakPolarHBondContact CB-OD1 3.11Å; E117-D122 VanDerWaalsContact CG-OD1 3.26Å; E117-D122 WeakPolarHBondContact CG-OD1 3.4Å; E117-R123 PolarHBondContact OE1-N 2.98Å; E117-C162 HydrophobicContact CB-CB 3.97Å; E117-R163 HydrophobicContact CG-CB 4.27Å; E117-R163 WeakPolarHBondContact CG-O 3.35Å; E117-R163 PolarHBondContact N-O 3.17Å; E117-R163 IonicContact OE1-CZ 3.75Å; E117-R163 IonicContact OE1-NE 3.57Å; E117-R163 PolarHBondContact OE1-NE 3.01Å; E117-R163 VanDerWaalsContact OE1-NE 3.15Å; E117-R163 IonicContact OE1-NH2 3.87Å; E117-R163 PolarHBondContact OE1-NH2 3.36Å; E117-R163 PolarHBondContact OE2-N 2.82Å; E117-R163 IonicContact OE2-NE 2.88Å
118	E	96.5	Very high	97.1	Very high	81 Å²	81	46.7 Å²	46.7	38%	0.379	25%	0.246	S	C	.	.	S	Bend	trans	-89.5	-38.7	171.8	174.9	172.6	-163.3	0	0	111.3	D122 R125 L126 K156 L158	E118-D122 WeakPolarHBondContact CA-OD2 3.16Å; E118-D122 WeakPolarHBondContact CB-OD2 3.36Å; E118-D122 PolarHBondContact N-OD2 3.43Å; E118-R125 HydrophobicContact CB-CB 4.2Å; E118-R125 HydrophobicContact CB-CG 4.46Å; E118-L126 HydrophobicContact CB-CD1 4.13Å; E118-L126 HydrophobicContact CB-CG 4.34Å; E118-K156 IonicContact OE1-NZ 3.37Å; E118-K156 PolarHBondContact OE1-NZ 2.87Å; E118-L158 WeakPolarHBondContact O-CD2 3.21Å
119	K	96	Very high	97.1	Very high	151 Å²	151	45.3 Å²	45.3	66%	0.657	24%	0.242	S	C	*	.	S	Bend	trans	-123.2	145.5	169.6	-61.4	-177.3	-178.5	-176.1	0	108.4	G121 D122	K119-G121 PolarHBondContact O-N 3.49Å; K119-D122 HydrophobicContact CB-CB 4.48Å; K119-D122 PolarHBondContact N-OD2 3.14Å; K119-D122 WeakPolarHBondContact O-CB 3.32Å; K119-D122 PolarHBondContact O-N 2.79Å
120	C	94.7	Very high	97.1	Very high	56 Å²	56	40.9 Å²	40.9	38%	0.378	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	126.2	-178.8	-175.9	0	0	0	0	110.4	C162	C120-C162 PolarHBondContact N-SG 2.94Å
121	G	95.2	Very high	97.1	Very high	31 Å²	31	39.8 Å²	39.8	32%	0.32	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	4.7	178.8	0	0	0	0	0	115.7	E117 K119 R123	E117-G121 PolarHBondContact OE2-N 3.44Å; K119-G121 PolarHBondContact O-N 3.49Å; G121-R123 WeakPolarHBondContact O-CG 3.4Å; G121-R123 PolarHBondContact O-N 2.85Å; G121-R123 VanDerWaalsContact O-N 3.17Å
122	D	96.5	Very high	97.1	Very high	39 Å²	39	42.1 Å²	42.1	21%	0.209	22%	0.224	C	C	.	.	S	Bend	trans	-72.5	-2.1	176	75.5	9.4	0	0	0	114.3	E117 E118 K119 G124 R125	E117-D122 VanDerWaalsContact CA-OD1 3.23Å; E117-D122 WeakPolarHBondContact CA-OD1 2.92Å; E117-D122 WeakPolarHBondContact CB-OD1 3.11Å; E117-D122 VanDerWaalsContact CG-OD1 3.26Å; E117-D122 WeakPolarHBondContact CG-OD1 3.4Å; E118-D122 WeakPolarHBondContact CA-OD2 3.16Å; E118-D122 WeakPolarHBondContact CB-OD2 3.36Å; E118-D122 PolarHBondContact N-OD2 3.43Å; K119-D122 HydrophobicContact CB-CB 4.48Å; K119-D122 PolarHBondContact N-OD2 3.14Å; K119-D122 WeakPolarHBondContact O-CB 3.32Å; K119-D122 PolarHBondContact O-N 2.79Å; D122-G124 VanDerWaalsContact C-N 3.31Å; D122-G124 PolarHBondContact O-N 2.81Å; D122-G124 PolarHBondContact OD1-N 2.83Å; D122-R125 HydrophobicContact CB-CG 4.43Å; D122-R125 WeakPolarHBondContact OD2-CG 3.37Å
123	R	97	Very high	97.1	Very high	59 Å²	59	44.9 Å²	44.9	22%	0.223	23%	0.229	C	C	.	.			trans	65.2	25	174.7	-49	177.3	60.8	-176.5	-2.5	114.6	K28 L29 E117 G121	K28-R123 WeakPolarHBondContact CA-O 3.45Å; K28-R123 HydrophobicContact CB-CB 3.99Å; K28-R123 HydrophobicContact CG-CB 4.46Å; L29-R123 HydrophobicContact CB-CB 4.41Å; L29-R123 PolarHBondContact N-O 2.82Å; L29-R123 PolarHBondContact O-NE 3.27Å; L29-R123 PolarHBondContact O-NH2 3.12Å; E117-R123 PolarHBondContact OE1-N 2.98Å; G121-R123 WeakPolarHBondContact O-CG 3.4Å; G121-R123 PolarHBondContact O-N 2.85Å; G121-R123 VanDerWaalsContact O-N 3.17Å
124	G	95.8	Very high	97.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.01	23%	0.229	C	C	.	.			trans	99.3	120.8	167.8	0	0	0	0	0	113.6	N115 D122 R128	N115-G124 WeakPolarHBondContact O-CA 3.27Å; D122-G124 VanDerWaalsContact C-N 3.31Å; D122-G124 PolarHBondContact O-N 2.81Å; D122-G124 PolarHBondContact OD1-N 2.83Å; G124-R128 PolarHBondContact O-NH1 2.87Å
125	R	96.9	Very high	97.1	Very high	161 Å²	161	46.6 Å²	46.6	61%	0.608	24%	0.24	S	C	*	.			trans	-131.5	-36	-174.7	-67.3	-65.2	-176.4	159.4	3.2	113.8	L116 E118 D122 R128	L116-R125 PolarHBondContact O-N 2.92Å; E118-R125 HydrophobicContact CB-CB 4.2Å; E118-R125 HydrophobicContact CB-CG 4.46Å; D122-R125 HydrophobicContact CB-CG 4.43Å; D122-R125 WeakPolarHBondContact OD2-CG 3.37Å; R125-R128 WeakPolarHBondContact O-CD 3.21Å
126	L	97.7	Very high	97.1	Very high	30 Å²	30	46.7 Å²	46.7	16%	0.157	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-104	153.4	-169.6	-55.3	172.3	0	0	0	111.2	N115 L116 E118 R128 L150 L158	N115-L126 CarbonylContact C-O 3.47Å; N115-L126 WeakPolarHBondContact CA-O 3.49Å; N115-L126 PolarHBondContact N-O 2.83Å; L116-L126 HydrophobicContact CB-CB 4Å; L116-L126 HydrophobicContact CD2-CB 4.07Å; L116-L126 HydrophobicContact CD2-CD1 3.96Å; L116-L126 HydrophobicContact CG-CB 4.28Å; L116-L126 HydrophobicContact CG-CD1 4.37Å; L116-L126 PolarHBondContact N-O 2.91Å; L116-L126 PolarHBondContact O-N 2.86Å; E118-L126 HydrophobicContact CB-CD1 4.13Å; E118-L126 HydrophobicContact CB-CG 4.34Å; L126-R128 WeakPolarHBondContact O-CG 3.41Å; L126-L150 HydrophobicContact CB-CD2 4.31Å; L126-L150 HydrophobicContact CD1-CD2 4.01Å; L126-L158 HydrophobicContact CD1-CD1 4.17Å
127	A	97.3	Very high	97.1	Very high	10 Å²	10	49 Å²	49	8%	0.083	25%	0.254	C	S	.	.	S	Bend	trans	50.4	59.3	179.4	0	0	0	0	0	114.4	N115 A134 P151 V169	N115-A127 PolarHBondContact N-O 2.98Å; A127-A134 HydrophobicContact CB-CB 4.05Å; A127-P151 HydrophobicContact CB-CG 4.02Å; A127-V169 WeakPolarHBondContact O-CG2 3.34Å
128	R	97.7	Very high	97	Very high	54 Å²	54	50.6 Å²	50.6	20%	0.204	27%	0.268	C	S	.	.			trans	-115.6	-7.7	-172.3	-64.1	-173.5	63.2	-174.6	-7.3	115.4	A27 I77 N115 G124 R125 L126	A27-R128 PolarHBondContact O-NH2 3.32Å; I77-R128 HydrophobicContact CD1-CB 3.5Å; I77-R128 HydrophobicContact CD1-CG 3.78Å; I77-R128 VanDerWaalsContact CD1-NE 3.29Å; N115-R128 WeakPolarHBondContact OD1-CD 3.26Å; N115-R128 WeakPolarHBondContact OD1-CG 3.4Å; N115-R128 PolarHBondContact OD1-NE 2.97Å; N115-R128 VanDerWaalsContact OD1-NE 3.17Å; G124-R128 PolarHBondContact O-NH1 2.87Å; R125-R128 WeakPolarHBondContact O-CD 3.21Å; L126-R128 WeakPolarHBondContact O-CG 3.41Å
129	A	97.6	Very high	97.1	Very high	50 Å²	50	49.1 Å²	49.1	41%	0.413	26%	0.261	S	S	.	.	S	Bend	trans	-83.3	156	-179.8	0	0	0	0	0	110.4	G131 N132 V169	A129-G131 PolarHBondContact O-N 3.26Å; A129-N132 HydrophobicContact CB-CB 4.39Å; A129-N132 WeakPolarHBondContact O-CB 3.44Å; A129-N132 PolarHBondContact O-N 3.1Å; A129-V169 VanDerWaalsContact O-CB 3.27Å; A129-V169 WeakPolarHBondContact O-CB 3.33Å; A129-V169 WeakPolarHBondContact O-CG1 3.45Å
130	S	97.6	Very high	97.1	Very high	20 Å²	20	45 Å²	45	14%	0.14	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	123.5	178.2	58.4	0	0	0	0	111.5	N132 G171 R174	S130-N132 VanDerWaalsContact C-N 3.29Å; S130-N132 PolarHBondContact O-N 3.08Å; S130-G171 VanDerWaalsContact CB-O 3.32Å; S130-G171 WeakPolarHBondContact CB-O 3.38Å; S130-R174 PolarHBondContact OG-NE 3.32Å
131	G	97.1	Very high	97.1	Very high	26 Å²	26	47.2 Å²	47.2	27%	0.268	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-3.6	-177.2	0	0	0	0	0	115.8	A129 V169	A129-G131 PolarHBondContact O-N 3.26Å; G131-V169 WeakPolarHBondContact CA-O 3.27Å; G131-V169 PolarHBondContact N-O 2.85Å
132	N	97.9	Very high	97.1	Very high	62 Å²	62	52.6 Å²	52.6	33%	0.332	28%	0.281	S	S	.	.			trans	-83.8	148.6	179	-76.1	19	0	0	0	111.3	A129 S130 P151 V169	A129-N132 HydrophobicContact CB-CB 4.39Å; A129-N132 WeakPolarHBondContact O-CB 3.44Å; A129-N132 PolarHBondContact O-N 3.1Å; S130-N132 VanDerWaalsContact C-N 3.29Å; S130-N132 PolarHBondContact O-N 3.08Å; N132-P151 HydrophobicContact CB-CB 4.27Å; N132-P151 HydrophobicContact CB-CG 3.97Å; N132-V169 WeakPolarHBondContact O-CG2 3.47Å; N132-V169 PolarHBondContact O-N 3.22Å
133	Y	97.9	Very high	97.1	Very high	112 Å²	112	54.7 Å²	54.7	44%	0.439	30%	0.295	S	S	.	.			trans	-145.7	166.3	169.9	60.7	-90.2	0	0	0	109.9	V112 V113 P151 L168	V112-Y133 HydrophobicContact CG1-CD2 3.78Å; V112-Y133 HydrophobicContact CG1-CG 3.76Å; V113-Y133 CarbonylContact O-C 3.58Å; V113-Y133 WeakPolarHBondContact O-CA 3.35Å; Y133-P151 VanDerWaalsContact O-CD 3.31Å; Y133-P151 WeakPolarHBondContact O-CD 3.05Å; Y133-P151 WeakPolarHBondContact O-CG 3.47Å; Y133-L168 HydrophobicContact CD1-CB 4.2Å; Y133-L168 HydrophobicContact CG-CB 4.39Å
134	A	97.9	Very high	97	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	154.1	167.4	0	0	0	0	0	108.5	V113 L116 A127 V148 K149	V113-A134 HydrophobicContact CG2-CB 4.14Å; V113-A134 WeakPolarHBondContact CG2-O 3.43Å; V113-A134 PolarHBondContact N-O 3Å; V113-A134 PolarHBondContact O-N 3.1Å; L116-A134 HydrophobicContact CD2-CB 4.22Å; A127-A134 HydrophobicContact CB-CB 4.05Å; A134-V148 HydrophobicContact CB-CG1 3.71Å; A134-K149 VanDerWaalsContact CA-O 3.23Å; A134-K149 WeakPolarHBondContact CA-O 3.49Å; A134-K149 WeakPolarHBondContact CB-O 3.45Å
135	T	98	Very high	97.1	Very high	36 Å²	36	65.5 Å²	65.5	22%	0.221	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.2	-179.1	-50.9	0	0	0	0	109.2	V137 V148 K149	T135-V137 PolarHBondContact O-N 2.96Å; T135-V148 CarbonylContact O-C 3.57Å; T135-V148 WeakPolarHBondContact O-CA 3.47Å; T135-V148 WeakPolarHBondContact O-CG1 3.36Å; T135-K149 PolarHBondContact N-O 2.73Å; T135-K149 PolarHBondContact O-N 3.39Å
136	V	97.9	Very high	97.2	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	120.9	170.4	-177.6	0	0	0	0	108.1	I104 G110 T111 V113 H139 T146	I104-V136 HydrophobicContact CG2-CG1 4.25Å; I104-V136 HydrophobicContact CG2-CG2 3.54Å; G110-V136 WeakPolarHBondContact CA-O 3.43Å; G110-V136 PolarHBondContact N-O 2.92Å; T111-V136 PolarHBondContact O-N 3.1Å; V113-V136 HydrophobicContact CG1-CG2 4.36Å; V136-H139 WeakPolarHBondContact CG1-CE1 3.5Å; V136-H139 WeakPolarHBondContact CG1-NE2 3.42Å; V136-T146 HydrophobicContact CG1-CG2 3.75Å
137	V	97.5	Very high	97.2	Very high	49 Å²	49	61.4 Å²	61.4	30%	0.297	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-55.2	-174.2	179	0	0	0	0	111	T135 R147 K149	T135-V137 PolarHBondContact O-N 2.96Å; V137-R147 HydrophobicContact CB-CB 4.44Å; V137-R147 HydrophobicContact CB-CG 4.33Å; V137-R147 WeakPolarHBondContact CB-O 3.28Å; V137-R147 PolarHBondContact N-O 3.29Å; V137-K149 HydrophobicContact CG2-CB 3.7Å
138	A	97.2	Very high	97.2	Very high	34 Å²	34	60.9 Å²	60.9	28%	0.281	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	148	-176.1	0	0	0	0	0	111.1	E109 R147	E109-A138 VanDerWaalsContact OE1-CA 3.25Å; E109-A138 WeakPolarHBondContact OE1-CA 3.47Å; A138-R147 HydrophobicContact CB-CB 4.5Å; A138-R147 PolarHBondContact N-O 3.45Å; A138-R147 PolarHBondContact O-N 2.88Å
139	H	97.6	Very high	97.1	Very high	50 Å²	50	62.6 Å²	62.6	23%	0.231	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	144.7	172	-57.4	-73.5	0	0	0	111.3	I104 M107 E109 V136 T146	I104-H139 PolarHBondContact O-CE1 3.03Å; I104-H139 VanDerWaalsContact O-CE1 3.27Å; M107-H139 PolarHBondContact O-CE1 3.33Å; M107-H139 VanDerWaalsContact O-CE1 3.26Å; M107-H139 PolarHBondContact O-NE2 3.36Å; E109-H139 VanDerWaalsContact CG-CD2 3.47Å; E109-H139 WeakPolarHBondContact CG-CD2 3.3Å; E109-H139 IonicContact OE1-CD2 2.76Å; E109-H139 PolarHBondContact OE1-N 3.42Å; V136-H139 WeakPolarHBondContact CG1-CE1 3.5Å; V136-H139 WeakPolarHBondContact CG1-NE2 3.42Å; H139-T146 VanDerWaalsContact CE1-CG2 3.46Å; H139-T146 WeakPolarHBondContact CE1-CG2 3.35Å; H139-T146 VanDerWaalsContact ND1-CG2 3.32Å; H139-T146 WeakPolarHBondContact ND1-CG2 3.39Å; H139-T146 PolarHBondContact ND1-OG1 2.83Å; H139-T146 VanDerWaalsContact ND1-OG1 3.12Å
140	N	96.9	Very high	97.1	Very high	65 Å²	65	61.4 Å²	61.4	35%	0.348	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	100.8	166.5	-178.2	-63.7	0	0	0	107.6	D142 T143 K144 R145	N140-D142 VanDerWaalsContact C-N 3.34Å; N140-D142 PolarHBondContact O-N 2.96Å; N140-D142 PolarHBondContact OD1-N 3.02Å; N140-T143 VanDerWaalsContact CG-OG1 3.22Å; N140-T143 WeakPolarHBondContact OD1-CB 3.26Å; N140-T143 PolarHBondContact OD1-N 3.28Å; N140-T143 PolarHBondContact OD1-OG1 2.83Å; N140-K144 PolarHBondContact O-N 2.87Å; N140-K144 VanDerWaalsContact O-N 3.15Å; N140-R145 PolarHBondContact N-O 3.17Å; N140-R145 PolarHBondContact O-N 3.15Å
141	P	94.2	Very high	97.1	Very high	101 Å²	101	63.4 Å²	63.4	66%	0.656	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-39.7	-179.1	-25.4	35.6	0	0	0	113.2	T143 K144	P141-T143 PolarHBondContact O-N 3.39Å; P141-K144 PolarHBondContact O-N 2.83Å
142	D	95	Very high	96.9	Very high	145 Å²	145	65.5 Å²	65.5	78%	0.775	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-47	-173.5	-48.3	-42.4	0	0	0	111.9	N140	N140-D142 VanDerWaalsContact C-N 3.34Å; N140-D142 PolarHBondContact O-N 2.96Å; N140-D142 PolarHBondContact OD1-N 3.02Å
143	T	95.7	Very high	96.6	Very high	83 Å²	83	63 Å²	63	51%	0.509	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-4.3	179.7	62.3	0	0	0	0	113.3	N140 P141 R145	N140-T143 VanDerWaalsContact CG-OG1 3.22Å; N140-T143 WeakPolarHBondContact OD1-CB 3.26Å; N140-T143 PolarHBondContact OD1-N 3.28Å; N140-T143 PolarHBondContact OD1-OG1 2.83Å; P141-T143 PolarHBondContact O-N 3.39Å; T143-R145 WeakPolarHBondContact O-CG 3.41Å; T143-R145 PolarHBondContact O-N 2.97Å
144	K	96.4	Very high	96.4	Very high	157 Å²	157	59.8 Å²	59.8	68%	0.683	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	43.2	-173	-58.3	174.8	-177.1	171.1	0	111.9	N140 P141 S160	N140-K144 PolarHBondContact O-N 2.87Å; N140-K144 VanDerWaalsContact O-N 3.15Å; P141-K144 PolarHBondContact O-N 2.83Å; K144-S160 WeakPolarHBondContact O-CB 3.2Å; K144-S160 PolarHBondContact O-N 2.72Å; K144-S160 PolarHBondContact O-OG 2.77Å
145	R	97.6	Very high	96.3	Very high	130 Å²	130	64.9 Å²	64.9	49%	0.491	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.2	179	-66	-169.6	175.6	-155.4	0.4	111.4	N140 T143 V157 L158 S160	N140-R145 PolarHBondContact N-O 3.17Å; N140-R145 PolarHBondContact O-N 3.15Å; T143-R145 WeakPolarHBondContact O-CG 3.41Å; T143-R145 PolarHBondContact O-N 2.97Å; R145-V157 HydrophobicContact CB-CG1 3.67Å; R145-V157 HydrophobicContact CG-CG1 4.26Å; R145-L158 CarbonylContact C-O 3.53Å; R145-L158 WeakPolarHBondContact CA-O 3.23Å; R145-S160 WeakPolarHBondContact CA-OG 3.38Å; R145-S160 PolarHBondContact N-OG 3.19Å
146	T	97.8	Very high	96.3	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.4	177.5	-55.6	0	0	0	0	109.9	I104 V136 H139 V148 L158 S160	I104-T146 HydrophobicContact CG2-CG2 3.69Å; V136-T146 HydrophobicContact CG1-CG2 3.75Å; H139-T146 VanDerWaalsContact CE1-CG2 3.46Å; H139-T146 WeakPolarHBondContact CE1-CG2 3.35Å; H139-T146 VanDerWaalsContact ND1-CG2 3.32Å; H139-T146 WeakPolarHBondContact ND1-CG2 3.39Å; H139-T146 PolarHBondContact ND1-OG1 2.83Å; H139-T146 VanDerWaalsContact ND1-OG1 3.12Å; T146-V148 HydrophobicContact CG2-CG2 4.2Å; T146-L158 PolarHBondContact N-O 3.4Å; T146-L158 PolarHBondContact O-N 2.88Å; T146-S160 PolarHBondContact N-OG 3.46Å; T146-S160 PolarHBondContact OG1-OG 2.61Å
147	R	97.7	Very high	96.2	Very high	104 Å²	104	69.4 Å²	69.4	39%	0.392	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	127.6	172.4	-170.9	178.5	-67.3	-151.8	-1.9	109.1	V137 A138 V157	V137-R147 HydrophobicContact CB-CB 4.44Å; V137-R147 HydrophobicContact CB-CG 4.33Å; V137-R147 WeakPolarHBondContact CB-O 3.28Å; V137-R147 PolarHBondContact N-O 3.29Å; A138-R147 HydrophobicContact CB-CB 4.5Å; A138-R147 PolarHBondContact N-O 3.45Å; A138-R147 PolarHBondContact O-N 2.88Å; R147-V157 HydrophobicContact CG-CG2 4.49Å
148	V	97.5	Very high	96.2	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.5	-178.4	-178.2	0	0	0	0	109.8	I104 L116 A134 T135 T146 K155 K156 L158	I104-V148 HydrophobicContact CG2-CG2 4.16Å; L116-V148 HydrophobicContact CD2-CB 4.49Å; L116-V148 HydrophobicContact CD2-CG1 3.84Å; A134-V148 HydrophobicContact CB-CG1 3.71Å; T135-V148 CarbonylContact O-C 3.57Å; T135-V148 WeakPolarHBondContact O-CA 3.47Å; T135-V148 WeakPolarHBondContact O-CG1 3.36Å; T146-V148 HydrophobicContact CG2-CG2 4.2Å; V148-K155 CarbonylContact O-C 3.48Å; V148-K155 WeakPolarHBondContact O-CA 3.21Å; V148-K156 PolarHBondContact N-O 3.14Å; V148-K156 PolarHBondContact O-N 3.03Å; V148-L158 HydrophobicContact CG2-CD1 4.3Å
149	K	97.3	Very high	96.2	Very high	89 Å²	89	67.8 Å²	67.8	39%	0.387	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	119.6	171.5	-174.3	178.6	179.5	-177.6	0	109.3	A134 T135 V137	A134-K149 VanDerWaalsContact CA-O 3.23Å; A134-K149 WeakPolarHBondContact CA-O 3.49Å; A134-K149 WeakPolarHBondContact CB-O 3.45Å; T135-K149 PolarHBondContact N-O 2.73Å; T135-K149 PolarHBondContact O-N 3.39Å; V137-K149 HydrophobicContact CG2-CB 3.7Å
150	L	97.3	Very high	96.2	Very high	25 Å²	25	66.4 Å²	66.4	13%	0.131	35%	0.35	C	S	.	.			trans	-82.7	161.7	179.7	-61.3	179.1	0	0	0	111.6	L116 L126 S152 G153 A154 K156	L116-L150 HydrophobicContact CD2-CD2 4.31Å; L126-L150 HydrophobicContact CB-CD2 4.31Å; L126-L150 HydrophobicContact CD1-CD2 4.01Å; L150-S152 PolarHBondContact O-N 2.82Å; L150-G153 WeakPolarHBondContact O-CA 3.46Å; L150-G153 PolarHBondContact O-N 3.45Å; L150-A154 WeakPolarHBondContact CB-O 3.48Å; L150-A154 PolarHBondContact N-O 2.89Å; L150-K156 HydrophobicContact CD1-CB 4.09Å; L150-K156 HydrophobicContact CD1-CD 4.2Å; L150-K156 HydrophobicContact CG-CB 4.37Å
151	P	96	Very high	96.2	Very high	62 Å²	62	67.2 Å²	67.2	40%	0.403	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.4	177.1	-12.6	13.7	0	0	0	114.4	A127 N132 Y133 G153	A127-P151 HydrophobicContact CB-CG 4.02Å; N132-P151 HydrophobicContact CB-CB 4.27Å; N132-P151 HydrophobicContact CB-CG 3.97Å; Y133-P151 VanDerWaalsContact O-CD 3.31Å; Y133-P151 WeakPolarHBondContact O-CD 3.05Å; Y133-P151 WeakPolarHBondContact O-CG 3.47Å; P151-G153 PolarHBondContact O-N 2.87Å
152	S	94	Very high	96.4	Very high	71 Å²	71	62.4 Å²	62.4	50%	0.497	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-6.6	175.2	60.2	0	0	0	0	113.8	L150 A154 R250	L150-S152 PolarHBondContact O-N 2.82Å; S152-A154 VanDerWaalsContact C-N 3.3Å; S152-A154 PolarHBondContact OG-N 2.82Å; S152-R250 PolarHBondContact O-NH2 3.24Å
153	G	91.8	Very high	96.5	Very high	8 Å²	8	55.7 Å²	55.7	8%	0.082	29%	0.29	C	S	.	.	S	Bend	trans	89.5	-20.6	-169.3	0	0	0	0	0	113.7	L150 P151 K155 I252	L150-G153 WeakPolarHBondContact O-CA 3.46Å; L150-G153 PolarHBondContact O-N 3.45Å; P151-G153 PolarHBondContact O-N 2.87Å; G153-K155 PolarHBondContact O-N 3.3Å; G153-I252 WeakPolarHBondContact O-CG2 3.21Å
154	A	94.1	Very high	96.6	Very high	46 Å²	46	51.8 Å²	51.8	38%	0.38	27%	0.266	S	S	.	.			trans	-64.1	134.4	-177.2	0	0	0	0	0	111.9	L150 S152	L150-A154 WeakPolarHBondContact CB-O 3.48Å; L150-A154 PolarHBondContact N-O 2.89Å; S152-A154 VanDerWaalsContact C-N 3.3Å; S152-A154 PolarHBondContact OG-N 2.82Å
155	K	96	Very high	96.7	Very high	107 Å²	107	44.3 Å²	44.3	47%	0.465	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	131.9	169	-61.8	177.7	-175.9	173	0	108.8	V148 G153	V148-K155 CarbonylContact O-C 3.48Å; V148-K155 WeakPolarHBondContact O-CA 3.21Å; G153-K155 PolarHBondContact O-N 3.3Å
156	K	96.3	Very high	96.7	Very high	61 Å²	61	38.5 Å²	38.5	27%	0.265	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.9	177.6	-173	171.4	-177.2	174.4	0	109.6	E118 V148 L150 L158	E118-K156 IonicContact OE1-NZ 3.37Å; E118-K156 PolarHBondContact OE1-NZ 2.87Å; V148-K156 PolarHBondContact N-O 3.14Å; V148-K156 PolarHBondContact O-N 3.03Å; L150-K156 HydrophobicContact CD1-CB 4.09Å; L150-K156 HydrophobicContact CD1-CD 4.2Å; L150-K156 HydrophobicContact CG-CB 4.37Å; K156-L158 HydrophobicContact CD-CD2 3.94Å; K156-L158 HydrophobicContact CG-CD2 4.03Å; K156-L158 HydrophobicContact CG-CG 4.36Å
157	V	97.3	Very high	96.7	Very high	70 Å²	70	39 Å²	39	42%	0.424	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.7	174.2	-176.6	0	0	0	0	108.4	R145 R147	R145-V157 HydrophobicContact CB-CG1 3.67Å; R145-V157 HydrophobicContact CG-CG1 4.26Å; R147-V157 HydrophobicContact CG-CG2 4.49Å
158	L	97	Very high	96.7	Very high	3 Å²	3	37 Å²	37	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	154.3	-178.1	-61.7	174.5	0	0	0	109.9	I104 L116 E118 L126 R145 T146 V148 K156 S160	I104-L158 HydrophobicContact CD1-CD1 4.44Å; L116-L158 HydrophobicContact CD1-CD1 4.28Å; L116-L158 HydrophobicContact CD2-CD1 3.65Å; L116-L158 HydrophobicContact CG-CD1 4.04Å; E118-L158 WeakPolarHBondContact O-CD2 3.21Å; L126-L158 HydrophobicContact CD1-CD1 4.17Å; R145-L158 CarbonylContact C-O 3.53Å; R145-L158 WeakPolarHBondContact CA-O 3.23Å; T146-L158 PolarHBondContact N-O 3.4Å; T146-L158 PolarHBondContact O-N 2.88Å; V148-L158 HydrophobicContact CG2-CD1 4.3Å; K156-L158 HydrophobicContact CD-CD2 3.94Å; K156-L158 HydrophobicContact CG-CD2 4.03Å; K156-L158 HydrophobicContact CG-CG 4.36Å; L158-S160 PolarHBondContact O-N 3.19Å
159	P	97.4	Very high	96.7	Very high	46 Å²	46	37 Å²	37	30%	0.299	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	135.8	168.9	-22.8	33.2	0	0	0	111.3	T161 C162	P159-T161 PolarHBondContact O-N 3.05Å; P159-T161 VanDerWaalsContact O-N 3.11Å; P159-C162 VanDerWaalsContact O-CB 3.28Å; P159-C162 WeakPolarHBondContact O-CB 3.1Å; P159-C162 PolarHBondContact O-N 2.76Å
160	S	97.3	Very high	96.8	Very high	21 Å²	21	33.4 Å²	33.4	15%	0.147	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.6	179.4	-63.6	0	0	0	0	113.4	G105 K144 R145 T146 L158	G105-S160 PolarHBondContact N-O 3.25Å; K144-S160 WeakPolarHBondContact O-CB 3.2Å; K144-S160 PolarHBondContact O-N 2.72Å; K144-S160 PolarHBondContact O-OG 2.77Å; R145-S160 WeakPolarHBondContact CA-OG 3.38Å; R145-S160 PolarHBondContact N-OG 3.19Å; T146-S160 PolarHBondContact N-OG 3.46Å; T146-S160 PolarHBondContact OG1-OG 2.61Å; L158-S160 PolarHBondContact O-N 3.19Å
161	T	96.8	Very high	96.8	Very high	83 Å²	83	33.9 Å²	33.9	51%	0.509	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.8	174.8	55	0	0	0	0	113.9	P159	P159-T161 PolarHBondContact O-N 3.05Å; P159-T161 VanDerWaalsContact O-N 3.11Å
162	C	97.4	Very high	96.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	21%	0.211	C	C	.	.			trans	-59	141.1	172.9	-76.8	0	0	0	0	110.1	P103 I104 E117 C120 P159	P103-C162 CarbonylContact C-O 3.53Å; P103-C162 WeakPolarHBondContact CA-O 3.27Å; I104-C162 HydrophobicContact CD1-CB 3.48Å; I104-C162 VanDerWaalsContact CD1-CB 3.48Å; I104-C162 VanDerWaalsContact CD1-O 3.29Å; I104-C162 WeakPolarHBondContact CD1-O 3.49Å; I104-C162 WeakPolarHBondContact CG1-O 2.78Å; I104-C162 PolarHBondContact N-O 3.2Å; E117-C162 HydrophobicContact CB-CB 3.97Å; C120-C162 PolarHBondContact N-SG 2.94Å; P159-C162 VanDerWaalsContact O-CB 3.28Å; P159-C162 WeakPolarHBondContact O-CB 3.1Å; P159-C162 PolarHBondContact O-N 2.76Å
163	R	97.8	Very high	96.9	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	153.2	-178.3	-61.2	173.6	-63	171.5	3.2	112.2	L29 R30 P31 E36 I101 L102 E117	L29-R163 HydrophobicContact CD1-CB 4.25Å; R30-R163 PolarHBondContact O-NH1 2.91Å; R30-R163 VanDerWaalsContact O-NH1 3.14Å; R30-R163 PolarHBondContact O-NH2 2.67Å; P31-R163 PolarHBondContact O-NH1 2.88Å; E36-R163 VanDerWaalsContact CD-NH1 3.28Å; E36-R163 IonicContact OE1-NH1 3.7Å; E36-R163 IonicContact OE2-CZ 2.64Å; E36-R163 IonicContact OE2-NH1 2.61Å; E36-R163 PolarHBondContact OE2-NH1 3.04Å; I101-R163 HydrophobicContact CG2-CB 4.06Å; L102-R163 WeakPolarHBondContact O-CA 3.4Å; E117-R163 HydrophobicContact CG-CB 4.27Å; E117-R163 WeakPolarHBondContact CG-O 3.35Å; E117-R163 PolarHBondContact N-O 3.17Å; E117-R163 IonicContact OE1-CZ 3.75Å; E117-R163 IonicContact OE1-NE 3.57Å; E117-R163 PolarHBondContact OE1-NE 3.01Å; E117-R163 VanDerWaalsContact OE1-NE 3.15Å; E117-R163 IonicContact OE1-NH2 3.87Å; E117-R163 PolarHBondContact OE1-NH2 3.36Å; E117-R163 PolarHBondContact OE2-N 2.82Å; E117-R163 IonicContact OE2-NE 2.88Å
164	A	98.1	Very high	97.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	154.2	171.4	0	0	0	0	0	110.5	I101 L102 I104 M107 V113 L116	I101-A164 WeakPolarHBondContact CA-O 3.42Å; L102-A164 PolarHBondContact N-O 3.36Å; L102-A164 PolarHBondContact O-N 3.27Å; I104-A164 HydrophobicContact CG1-CB 4.11Å; M107-A164 HydrophobicContact CE-CB 4.25Å; M107-A164 WeakPolarHBondContact CE-O 3.49Å; V113-A164 HydrophobicContact CB-CB 3.71Å; V113-A164 HydrophobicContact CG1-CB 4.08Å; V113-A164 HydrophobicContact CG2-CB 3.93Å; L116-A164 HydrophobicContact CB-CB 4.28Å; L116-A164 HydrophobicContact CD1-CB 3.59Å
165	M	98.2	Very high	97.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	131.7	170.4	179.2	177.6	-76	0	0	109	F76 A79 L82 N100 I101 V113 C114	F76-M165 HydrophobicContact CB-CE 4.04Å; F76-M165 HydrophobicContact CD2-CE 3.77Å; F76-M165 HydrophobicContact CG-CE 4.18Å; A79-M165 HydrophobicContact CB-CG 4.29Å; A79-M165 HydrophobicContact CB-SD 3.74Å; L82-M165 HydrophobicContact CD1-SD 4.2Å; N100-M165 CarbonylContact O-C 3.15Å; N100-M165 WeakPolarHBondContact O-CA 3.41Å; I101-M165 HydrophobicContact CD1-CE 3.93Å; I101-M165 HydrophobicContact CG1-CB 4.01Å; I101-M165 HydrophobicContact CG1-CE 4.05Å; I101-M165 HydrophobicContact CG1-CG 4.33Å; V113-M165 CarbonylContact C-O 3.56Å; V113-M165 WeakPolarHBondContact CA-O 3.2Å; V113-M165 WeakPolarHBondContact CB-O 3.35Å; C114-M165 PolarHBondContact N-O 3.43Å; C114-M165 PolarHBondContact O-N 3.25Å
166	V	98.2	Very high	97.3	Very high	9 Å²	9	40.3 Å²	40.3	6%	0.055	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	135.1	176.5	179.8	0	0	0	0	109.9	L96 Q97 G99 N100 L102 M107 T111	L96-V166 HydrophobicContact CD2-CG1 4.21Å; L96-V166 HydrophobicContact CG-CG2 4.42Å; Q97-V166 WeakPolarHBondContact O-CB 3.44Å; G99-V166 PolarHBondContact N-O 3.34Å; N100-V166 PolarHBondContact O-N 3.03Å; L102-V166 HydrophobicContact CD1-CG2 3.53Å; M107-V166 HydrophobicContact CE-CG2 3.58Å; M107-V166 HydrophobicContact SD-CG2 4.17Å; T111-V166 HydrophobicContact CG2-CG1 4.44Å
167	G	97.7	Very high	97.4	Very high	10 Å²	10	44.3 Å²	44.3	10%	0.103	27%	0.265	C	S	.	.	S	Bend	trans	105.1	176.6	-177.4	0	0	0	0	0	113.6	V112 V113 C114	V112-G167 PolarHBondContact O-N 2.88Å; V113-G167 CarbonylContact C-O 3.51Å; V113-G167 WeakPolarHBondContact CA-O 3.44Å; C114-G167 WeakPolarHBondContact CB-O 3.42Å; C114-G167 PolarHBondContact N-O 2.98Å; C114-G167 VanDerWaalsContact N-O 3.14Å; C114-G167 PolarHBondContact SG-O 2.83Å
168	L	96.9	Very high	97.4	Very high	61 Å²	61	44.9 Å²	44.9	32%	0.319	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-97.2	156.2	177.4	61.5	91.1	0	0	0	111.2	A79 E80 V112 Y133	A79-L168 CarbonylContact C-O 3.45Å; A79-L168 WeakPolarHBondContact CA-O 3.39Å; E80-L168 HydrophobicContact CB-CD1 3.59Å; E80-L168 HydrophobicContact CB-CG 4.26Å; E80-L168 HydrophobicContact CG-CD1 4.32Å; E80-L168 PolarHBondContact N-O 3.31Å; E80-L168 WeakPolarHBondContact OE2-CD1 3.25Å; V112-L168 HydrophobicContact CG1-CB 4.36Å; Y133-L168 HydrophobicContact CD1-CB 4.2Å; Y133-L168 HydrophobicContact CG-CB 4.39Å
169	V	98.4	Very high	97.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-72.4	130.8	-179.2	179.7	0	0	0	0	111.4	A56 I77 C114 A127 A129 G131 N132	A56-V169 HydrophobicContact CB-CG1 3.4Å; A56-V169 VanDerWaalsContact CB-CG1 3.4Å; I77-V169 HydrophobicContact CG2-CB 4.35Å; I77-V169 HydrophobicContact CG2-CG1 3.46Å; I77-V169 VanDerWaalsContact CG2-CG1 3.46Å; I77-V169 HydrophobicContact CG2-CG2 4.03Å; C114-V169 HydrophobicContact CB-CG2 3.49Å; C114-V169 VanDerWaalsContact CB-CG2 3.49Å; A127-V169 WeakPolarHBondContact O-CG2 3.34Å; A129-V169 VanDerWaalsContact O-CB 3.27Å; A129-V169 WeakPolarHBondContact O-CB 3.33Å; A129-V169 WeakPolarHBondContact O-CG1 3.45Å; G131-V169 WeakPolarHBondContact CA-O 3.27Å; G131-V169 PolarHBondContact N-O 2.85Å; N132-V169 WeakPolarHBondContact O-CG2 3.47Å; N132-V169 PolarHBondContact O-N 3.22Å
170	A	98.3	Very high	97.3	Very high	14 Å²	14	52.7 Å²	52.7	12%	0.116	31%	0.308	C	S	.	.	S	Bend	trans	-59.8	157.5	177.7	0	0	0	0	0	113.9	P57 A78 E80	P57-A170 HydrophobicContact CG-CB 3.76Å; A78-A170 WeakPolarHBondContact O-CB 3.38Å; A78-A170 PolarHBondContact O-N 3.39Å; E80-A170 HydrophobicContact CB-CB 4.35Å
171	G	96.8	Very high	97.4	Very high	35 Å²	35	57.9 Å²	57.9	36%	0.361	33%	0.328	S	S	.	.	S	Bend	trans	83	31	-178.2	0	0	0	0	0	113.4	S130	S130-G171 VanDerWaalsContact CB-O 3.32Å; S130-G171 WeakPolarHBondContact CB-O 3.38Å
172	G	96.6	Very high	97.4	Very high	36 Å²	36	57.1 Å²	57.1	37%	0.371	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	165.8	169.9	0	0	0	0	0	113.1	R174	G172-R174 PolarHBondContact O-N 3.08Å
173	G	96.7	Very high	97.5	Very high	42 Å²	42	58.7 Å²	58.7	43%	0.433	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	-0.2	177.8	0	0	0	0	0	116.5	V175 D176	G173-V175 PolarHBondContact O-N 2.98Å; G173-D176 WeakPolarHBondContact CA-OD2 3.46Å; G173-D176 WeakPolarHBondContact O-CB 3.16Å; G173-D176 PolarHBondContact O-N 3.22Å
174	R	97.1	Very high	97.5	Very high	116 Å²	116	63.5 Å²	63.5	44%	0.438	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-22.9	-177.4	-167.3	-163.3	51.7	56.3	8.2	114.3	S130 G172	S130-R174 PolarHBondContact OG-NE 3.32Å; G172-R174 PolarHBondContact O-N 3.08Å
175	V	96.3	Very high	97.5	Very high	106 Å²	106	64.1 Å²	64.1	64%	0.642	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-12	-179.8	-66.1	0	0	0	0	113.5	G173 K177	G173-V175 PolarHBondContact O-N 2.98Å; V175-K177 VanDerWaalsContact C-N 3.31Å
176	D	96.9	Very high	97.5	Very high	129 Å²	129	69 Å²	69	69%	0.69	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-33.9	-178.2	-53.1	-19.5	0	0	0	110	G173 P178	G173-D176 WeakPolarHBondContact CA-OD2 3.46Å; G173-D176 WeakPolarHBondContact O-CB 3.16Å; G173-D176 PolarHBondContact O-N 3.22Å; D176-P178 WeakPolarHBondContact O-CD 3.37Å
177	K	97.3	Very high	97.5	Very high	146 Å²	146	74.4 Å²	74.4	64%	0.635	41%	0.413	S	S	*	.	S	Bend	trans	-72.1	120.5	171.8	-175.5	172.4	-175.9	166	0	111.2	V175	V175-K177 VanDerWaalsContact C-N 3.31Å
178	P	97.5	Very high	97.5	Very high	81 Å²	81	77 Å²	77	53%	0.526	42%	0.422	S	S	.	.			trans	-67.1	145	178.5	26.5	-34.4	0	0	0	112.5	D176 L180	D176-P178 WeakPolarHBondContact O-CD 3.37Å; P178-L180 VanDerWaalsContact C-N 3.28Å; P178-L180 HydrophobicContact CB-CD2 4.01Å; P178-L180 HydrophobicContact CG-CD2 3.66Å; P178-L180 HydrophobicContact CG-CG 4.22Å; P178-L180 PolarHBondContact O-N 3.5Å
179	I	96.4	Very high	97.6	Very high	82 Å²	82	77.6 Å²	77.6	42%	0.421	42%	0.42	S	S	.	.			trans	-82.4	79.9	170.9	-56.2	178.9	0	0	0	108	K181 R184 A185 K188	I179-K181 VanDerWaalsContact C-N 3.33Å; I179-K181 PolarHBondContact O-N 3.02Å; I179-R184 HydrophobicContact CG2-CB 3.74Å; I179-A185 HydrophobicContact CG2-CB 4.08Å; I179-K188 HydrophobicContact CD1-CD 3.67Å
180	L	97.3	Very high	97.5	Very high	132 Å²	132	83.1 Å²	83.1	69%	0.691	44%	0.444	S	S	*	.			trans	-57.8	-36	-170.1	-64.2	174.9	0	0	0	115.3	P178	P178-L180 VanDerWaalsContact C-N 3.28Å; P178-L180 HydrophobicContact CB-CD2 4.01Å; P178-L180 HydrophobicContact CG-CD2 3.66Å; P178-L180 HydrophobicContact CG-CG 4.22Å; P178-L180 PolarHBondContact O-N 3.5Å
181	K	98.2	Very high	97.5	Very high	129 Å²	129	84.2 Å²	84.2	56%	0.561	45%	0.453	S	S	*	.	S	Bend	trans	-123.6	146.1	-173.7	63.4	178.6	-179.7	178.2	0	113	I179 G183 R184 A185	I179-K181 VanDerWaalsContact C-N 3.33Å; I179-K181 PolarHBondContact O-N 3.02Å; K181-G183 PolarHBondContact O-N 3.18Å; K181-R184 HydrophobicContact CD-CG 4.33Å; K181-R184 HydrophobicContact CG-CB 4.1Å; K181-R184 HydrophobicContact CG-CG 3.66Å; K181-R184 WeakPolarHBondContact O-CB 3.42Å; K181-R184 PolarHBondContact O-N 2.88Å; K181-A185 PolarHBondContact O-N 3.45Å
182	A	97.9	Very high	97.6	Very high	67 Å²	67	85.5 Å²	85.5	55%	0.554	45%	0.449	S	S	*	.	H	α-helix	trans	-54.9	-37.4	176.7	0	0	0	0	0	112.5	R184 A185 Y186 W196	A182-R184 VanDerWaalsContact C-N 3.31Å; A182-R184 PolarHBondContact O-N 2.84Å; A182-A185 CarbonylContact O-C 3.59Å; A182-A185 WeakPolarHBondContact O-CA 3.49Å; A182-A185 WeakPolarHBondContact O-CB 3.43Å; A182-A185 PolarHBondContact O-N 3.04Å; A182-Y186 PolarHBondContact O-N 3.34Å; A182-W196 HydrophobicContact CB-CZ2 4.27Å
183	G	98.4	Very high	97.6	Very high	33 Å²	33	89.6 Å²	89.6	34%	0.34	45%	0.453	S	S	.	.	H	α-helix	trans	-58.3	-37.7	175	0	0	0	0	0	113.8	K181 A185 Y186 H187	K181-G183 PolarHBondContact O-N 3.18Å; G183-A185 VanDerWaalsContact C-N 3.34Å; G183-A185 PolarHBondContact O-N 3.05Å; G183-Y186 WeakPolarHBondContact O-CB 3.5Å; G183-Y186 PolarHBondContact O-N 3.05Å; G183-H187 PolarHBondContact O-CD2 3.31Å; G183-H187 PolarHBondContact O-N 3.3Å
184	R	98	Very high	97.7	Very high	106 Å²	106	92.2 Å²	92.2	40%	0.4	45%	0.454	S	S	.	.	H	α-helix	trans	-67.1	-37	174.9	-74.7	178.8	-178.7	168.3	5.4	111.1	I179 K181 A182 K188	I179-R184 HydrophobicContact CG2-CB 3.74Å; K181-R184 HydrophobicContact CD-CG 4.33Å; K181-R184 HydrophobicContact CG-CB 4.1Å; K181-R184 HydrophobicContact CG-CG 3.66Å; K181-R184 WeakPolarHBondContact O-CB 3.42Å; K181-R184 PolarHBondContact O-N 2.88Å; A182-R184 VanDerWaalsContact C-N 3.31Å; A182-R184 PolarHBondContact O-N 2.84Å; R184-K188 WeakPolarHBondContact O-CB 3.38Å; R184-K188 PolarHBondContact O-N 3.49Å; R184-K188 VanDerWaalsContact O-N 3.08Å
185	A	98	Very high	97.6	Very high	13 Å²	13	88.1 Å²	88.1	11%	0.107	44%	0.443	C	S	.	.	H	α-helix	trans	-65.9	-43.6	173.4	0	0	0	0	0	111.5	I179 K181 A182 G183 H187 K188 Y189 W196	I179-A185 HydrophobicContact CG2-CB 4.08Å; K181-A185 PolarHBondContact O-N 3.45Å; A182-A185 CarbonylContact O-C 3.59Å; A182-A185 WeakPolarHBondContact O-CA 3.49Å; A182-A185 WeakPolarHBondContact O-CB 3.43Å; A182-A185 PolarHBondContact O-N 3.04Å; G183-A185 VanDerWaalsContact C-N 3.34Å; G183-A185 PolarHBondContact O-N 3.05Å; A185-H187 PolarHBondContact O-N 3.01Å; A185-K188 WeakPolarHBondContact O-CB 3.33Å; A185-K188 PolarHBondContact O-N 2.83Å; A185-Y189 WeakPolarHBondContact O-CD2 3.29Å; A185-Y189 PolarHBondContact O-N 3.31Å; A185-W196 HydrophobicContact CB-CZ2 4.39Å
186	Y	98.4	Very high	97.7	Very high	102 Å²	102	86.9 Å²	86.9	40%	0.4	43%	0.426	S	S	.	.	H	α-helix	trans	-53.6	-55	174.2	170.1	-100.9	0	0	0	111.3	A182 G183 K188 Y189 K190 W196	A182-Y186 PolarHBondContact O-N 3.34Å; G183-Y186 WeakPolarHBondContact O-CB 3.5Å; G183-Y186 PolarHBondContact O-N 3.05Å; Y186-K188 VanDerWaalsContact C-N 3.3Å; Y186-K188 PolarHBondContact O-N 3.3Å; Y186-Y189 PolarHBondContact O-N 3.17Å; Y186-K190 HydrophobicContact CE1-CD 3.84Å; Y186-K190 VanDerWaalsContact O-CB 3.29Å; Y186-K190 WeakPolarHBondContact O-CB 3.29Å; Y186-K190 PolarHBondContact O-N 2.99Å; Y186-W196 HydrophobicContact CD2-CE3 4.29Å; Y186-W196 AromaticContact CD2-CZ3 3.82Å; Y186-W196 HydrophobicContact CD2-CZ3 3.82Å; Y186-W196 HydrophobicContact CG-CZ3 4.21Å
187	H	98.2	Very high	97.8	Very high	122 Å²	122	85 Å²	85	57%	0.565	42%	0.421	S	S	*	.	H	α-helix	trans	-61.6	-36	179.3	-69.6	-66.8	0	0	0	112.9	G183 A185 A191	G183-H187 PolarHBondContact O-CD2 3.31Å; G183-H187 PolarHBondContact O-N 3.3Å; A185-H187 PolarHBondContact O-N 3.01Å; H187-A191 PolarHBondContact O-N 3.12Å
188	K	98.2	Very high	97.7	Very high	65 Å²	65	82.2 Å²	82.2	28%	0.283	42%	0.417	S	S	.	.	H	α-helix	trans	-61.3	-43.9	175.1	173.3	-177.2	175.8	-177.1	0	112.6	I179 R184 A185 Y186 K192	I179-K188 HydrophobicContact CD1-CD 3.67Å; R184-K188 WeakPolarHBondContact O-CB 3.38Å; R184-K188 PolarHBondContact O-N 3.49Å; R184-K188 VanDerWaalsContact O-N 3.08Å; A185-K188 WeakPolarHBondContact O-CB 3.33Å; A185-K188 PolarHBondContact O-N 2.83Å; Y186-K188 VanDerWaalsContact C-N 3.3Å; Y186-K188 PolarHBondContact O-N 3.3Å; K188-K192 WeakPolarHBondContact O-CG 3.43Å
189	Y	98.3	Very high	97.7	Very high	73 Å²	73	82.2 Å²	82.2	29%	0.286	42%	0.415	S	S	.	.	H	α-helix	trans	-83.4	-29.5	-178.6	-70.2	-69	0	0	0	112.7	A185 Y186 A191 K192 R193 C195 W196	A185-Y189 WeakPolarHBondContact O-CD2 3.29Å; A185-Y189 PolarHBondContact O-N 3.31Å; Y186-Y189 PolarHBondContact O-N 3.17Å; Y189-A191 PolarHBondContact O-N 2.9Å; Y189-K192 WeakPolarHBondContact O-CA 3.41Å; Y189-K192 PolarHBondContact O-N 3.29Å; Y189-R193 PolarHBondContact O-N 2.82Å; Y189-R193 VanDerWaalsContact O-O 3.09Å; Y189-C195 WeakPolarHBondContact CD1-SG 3.09Å; Y189-W196 HydrophobicContact CD1-CB 4.34Å; Y189-W196 HydrophobicContact CD2-CB 3.26Å; Y189-W196 AromaticContact CD2-CD1 3.86Å; Y189-W196 HydrophobicContact CD2-CD2 4.35Å; Y189-W196 AromaticContact CD2-CG 3.52Å; Y189-W196 HydrophobicContact CD2-CG 3.52Å; Y189-W196 HydrophobicContact CE2-CB 3.85Å; Y189-W196 AromaticContact CE2-CD1 3.8Å; Y189-W196 AromaticContact CE2-CG 3.94Å; Y189-W196 HydrophobicContact CE2-CG 3.94Å; Y189-W196 HydrophobicContact CG-CB 3.56Å; Y189-W196 HydrophobicContact CG-CG 4.29Å
190	K	97.9	Very high	97.8	Very high	116 Å²	116	85.6 Å²	85.6	50%	0.504	42%	0.423	S	S	.	.	H	α-helix	trans	-55.7	-37.9	171.9	-173	177.1	-175.4	173.2	0	112	H19 Y186 K192	H19-K190 PolarHBondContact ND1-O 2.92Å; Y186-K190 HydrophobicContact CE1-CD 3.84Å; Y186-K190 VanDerWaalsContact O-CB 3.29Å; Y186-K190 WeakPolarHBondContact O-CB 3.29Å; Y186-K190 PolarHBondContact O-N 2.99Å; K190-K192 VanDerWaalsContact C-N 3.3Å; K190-K192 PolarHBondContact O-N 3.3Å
191	A	97.8	Very high	97.8	Very high	37 Å²	37	79.8 Å²	79.8	31%	0.306	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-9.3	175.1	0	0	0	0	0	114.4	H187 Y189	H187-A191 PolarHBondContact O-N 3.12Å; Y189-A191 PolarHBondContact O-N 2.9Å
192	K	98.2	Very high	97.8	Very high	63 Å²	63	74.8 Å²	74.8	27%	0.274	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-72.2	-173.7	-70.8	-178.5	177.1	-167.5	0	112.6	H19 G53 K188 Y189 K190	H19-K192 PolarHBondContact N-O 2.76Å; G53-K192 VanDerWaalsContact O-CE 3.25Å; G53-K192 WeakPolarHBondContact O-CE 3.49Å; K188-K192 WeakPolarHBondContact O-CG 3.43Å; Y189-K192 WeakPolarHBondContact O-CA 3.41Å; Y189-K192 PolarHBondContact O-N 3.29Å; K190-K192 VanDerWaalsContact C-N 3.3Å; K190-K192 PolarHBondContact O-N 3.3Å
193	R	97.7	Very high	97.7	Very high	121 Å²	121	74 Å²	74	46%	0.457	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-172.3	163.3	-179.2	70.7	175.5	76	83	-6.6	109.7	Y189 C195	Y189-R193 PolarHBondContact O-N 2.82Å; Y189-R193 VanDerWaalsContact O-O 3.09Å; R193-C195 HydrophobicContact CG-CB 4.1Å; R193-C195 PolarHBondContact O-N 3.37Å
194	H	97.2	Very high	97.7	Very high	97 Å²	97	73.6 Å²	73.6	45%	0.449	36%	0.357	S	S	.	.	S	Bend	trans	-69.7	85.4	172.8	-168.9	-94.4	0	0	0	112.5	V15 F16	V15-H194 WeakPolarHBondContact O-CB 3.07Å; F16-H194 VanDerWaalsContact CD1-O 3.29Å; F16-H194 WeakPolarHBondContact CD1-O 3.35Å; F16-H194 AromaticContact CE1-ND1 3.91Å
195	C	96.3	Very high	97.7	Very high	30 Å²	30	73.7 Å²	73.7	20%	0.203	37%	0.366	C	S	.	.			trans	-135.4	8.4	174.5	67.1	0	0	0	0	114.4	Y189 R193 T198	Y189-C195 WeakPolarHBondContact CD1-SG 3.09Å; R193-C195 HydrophobicContact CG-CB 4.1Å; R193-C195 PolarHBondContact O-N 3.37Å; C195-T198 WeakPolarHBondContact O-CG2 3.06Å
196	W	98.1	Very high	97.6	Very high	80 Å²	80	77.5 Å²	77.5	30%	0.303	39%	0.39	S	S	.	.			trans	-137.6	140.4	175.7	-179.8	93.8	0	0	0	107.3	A182 A185 Y186 Y189	A182-W196 HydrophobicContact CB-CZ2 4.27Å; A185-W196 HydrophobicContact CB-CZ2 4.39Å; Y186-W196 HydrophobicContact CD2-CE3 4.29Å; Y186-W196 AromaticContact CD2-CZ3 3.82Å; Y186-W196 HydrophobicContact CD2-CZ3 3.82Å; Y186-W196 HydrophobicContact CG-CZ3 4.21Å; Y189-W196 HydrophobicContact CD1-CB 4.34Å; Y189-W196 HydrophobicContact CD2-CB 3.26Å; Y189-W196 AromaticContact CD2-CD1 3.86Å; Y189-W196 HydrophobicContact CD2-CD2 4.35Å; Y189-W196 AromaticContact CD2-CG 3.52Å; Y189-W196 HydrophobicContact CD2-CG 3.52Å; Y189-W196 HydrophobicContact CE2-CB 3.85Å; Y189-W196 AromaticContact CE2-CD1 3.8Å; Y189-W196 AromaticContact CE2-CG 3.94Å; Y189-W196 HydrophobicContact CE2-CG 3.94Å; Y189-W196 HydrophobicContact CG-CB 3.56Å; Y189-W196 HydrophobicContact CG-CG 4.29Å
197	P	97.7	Very high	97.5	Very high	90 Å²	90	75.6 Å²	75.6	58%	0.584	39%	0.389	S	S	*	.	S	Bend	cis	-73	167.1	2.1	30.9	-36.4	0	0	0	113.9
198	T	96.8	Very high	97.5	Very high	88 Å²	88	72.4 Å²	72.4	54%	0.54	37%	0.374	S	S	.	.			trans	-119.1	102.7	177.5	51.3	0	0	0	0	111.3	C195	C195-T198 WeakPolarHBondContact O-CG2 3.06Å
199	V	97.6	Very high	97.4	Very high	80 Å²	80	70.5 Å²	70.5	49%	0.485	37%	0.366	S	S	.	.			trans	-64.9	133.5	168.6	-176.2	0	0	0	0	109.5	R6 M204	R6-V199 PolarHBondContact NH1-O 3.08Å; R6-V199 PolarHBondContact NH2-O 2.63Å; V199-M204 HydrophobicContact CB-CE 3.55Å; V199-M204 HydrophobicContact CG1-CE 3.58Å; V199-M204 HydrophobicContact CG1-CG 4.08Å
200	R	97.8	Very high	97.3	Very high	154 Å²	154	69.9 Å²	69.9	58%	0.581	37%	0.371	S	S	*	.			trans	-71.6	139.5	176.3	-64.7	-175.8	-68.2	129.1	4.8	109.3	V202 A203	R200-V202 VanDerWaalsContact C-N 3.26Å; R200-V202 HydrophobicContact CB-CG1 4.28Å; R200-V202 PolarHBondContact O-N 2.81Å; R200-A203 PolarHBondContact O-N 3.33Å; R200-A203 VanDerWaalsContact O-N 3.1Å
201	G	96.8	Very high	97.3	Very high	10 Å²	10	65.9 Å²	65.9	10%	0.103	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-62	-30.6	-177.8	0	0	0	0	0	114.9	A203 M204 H209	G201-A203 PolarHBondContact O-N 3.28Å; G201-M204 WeakPolarHBondContact O-CB 3.26Å; G201-M204 PolarHBondContact O-N 3.29Å; G201-H209 VanDerWaalsContact CA-CD2 3.45Å; G201-H209 WeakPolarHBondContact CA-CD2 3.48Å; G201-H209 VanDerWaalsContact CA-CG 3.45Å
202	V	97.9	Very high	97.2	Very high	24 Å²	24	64.8 Å²	64.8	15%	0.145	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-70.6	-17.1	177.2	72.3	0	0	0	0	113.7	R200 M204 H211 Q217 H218	R200-V202 VanDerWaalsContact C-N 3.26Å; R200-V202 HydrophobicContact CB-CG1 4.28Å; R200-V202 PolarHBondContact O-N 2.81Å; V202-M204 VanDerWaalsContact C-N 3.32Å; V202-H211 WeakPolarHBondContact CA-O 3.41Å; V202-Q217 VanDerWaalsContact CG2-C 3.49Å; V202-Q217 HydrophobicContact CG2-CB 3.91Å; V202-H218 VanDerWaalsContact CG2-N 3.33Å; V202-H218 WeakPolarHBondContact CG2-O 3.28Å
203	A	97.3	Very high	97.1	Very high	50 Å²	50	62.8 Å²	62.8	41%	0.413	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-94.7	10	176.4	0	0	0	0	0	112.3	R200 G201	R200-A203 PolarHBondContact O-N 3.33Å; R200-A203 VanDerWaalsContact O-N 3.1Å; G201-A203 PolarHBondContact O-N 3.28Å
204	M	97.8	Very high	97	Very high	24 Å²	24	59.9 Å²	59.9	12%	0.118	35%	0.352	C	S	.	.	S	Bend	trans	-105.6	163	178.9	-61.2	176.8	176.5	0	0	110.3	V199 G201 V202 E208 H209 G212 G213	V199-M204 HydrophobicContact CB-CE 3.55Å; V199-M204 HydrophobicContact CG1-CE 3.58Å; V199-M204 HydrophobicContact CG1-CG 4.08Å; G201-M204 WeakPolarHBondContact O-CB 3.26Å; G201-M204 PolarHBondContact O-N 3.29Å; V202-M204 VanDerWaalsContact C-N 3.32Å; M204-E208 HydrophobicContact CB-CB 4.2Å; M204-E208 HydrophobicContact SD-CB 4.4Å; M204-H209 HydrophobicContact CB-CB 4.16Å; M204-H209 HydrophobicContact SD-CB 3.86Å; M204-G212 CarbonylContact O-C 3.39Å; M204-G212 WeakPolarHBondContact O-CA 3.45Å; M204-G213 PolarHBondContact O-N 2.72Å
205	N	97.3	Very high	97	Very high	108 Å²	108	63.2 Å²	63.2	58%	0.578	37%	0.373	S	S	*	.			trans	-68.4	154.8	169.6	-70.7	-12.9	0	0	0	110.9	V207 E208	N205-V207 HydrophobicContact CB-CG1 3.71Å; N205-V207 PolarHBondContact O-N 3.42Å; N205-V207 VanDerWaalsContact O-N 3.1Å; N205-E208 PolarHBondContact O-N 2.98Å
206	P	96.1	Very high	97	Very high	93 Å²	93	69 Å²	69	60%	0.604	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.1	-176.7	23.6	-32.6	0	0	0	113	E208 G212	P206-E208 VanDerWaalsContact C-N 3.29Å; P206-E208 PolarHBondContact O-N 3.47Å; P206-G212 WeakPolarHBondContact CA-O 3.4Å; P206-G212 WeakPolarHBondContact CB-O 3.43Å
207	V	97.2	Very high	97	Very high	63 Å²	63	71.2 Å²	71.2	38%	0.382	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.2	174.5	56.2	0	0	0	0	113.7	R3 N205	R3-V207 HydrophobicContact CB-CG2 3.72Å; R3-V207 WeakPolarHBondContact CB-O 3.47Å; R3-V207 PolarHBondContact N-O 2.92Å; N205-V207 HydrophobicContact CB-CG1 3.71Å; N205-V207 PolarHBondContact O-N 3.42Å; N205-V207 VanDerWaalsContact O-N 3.1Å
208	E	96.8	Very high	97	Very high	55 Å²	55	71.9 Å²	71.9	26%	0.257	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-18.9	-171.5	-56.4	-167.6	136.1	0	0	114.2	R3 I5 M204 N205 P206	R3-E208 IonicContact NH1-OE1 3.4Å; R3-E208 PolarHBondContact NH1-OE1 3.37Å; I5-E208 WeakPolarHBondContact CG2-O 3.01Å; M204-E208 HydrophobicContact CB-CB 4.2Å; M204-E208 HydrophobicContact SD-CB 4.4Å; N205-E208 PolarHBondContact O-N 2.98Å; P206-E208 VanDerWaalsContact C-N 3.29Å; P206-E208 PolarHBondContact O-N 3.47Å
209	H	97.2	Very high	97	Very high	24 Å²	24	70.9 Å²	70.9	11%	0.111	40%	0.396	C	S	.	.			trans	-154.9	140.3	-175.2	-161	-81.3	0	0	0	112.1	G201 M204 H211 G212 V235	G201-H209 VanDerWaalsContact CA-CD2 3.45Å; G201-H209 WeakPolarHBondContact CA-CD2 3.48Å; G201-H209 VanDerWaalsContact CA-CG 3.45Å; M204-H209 HydrophobicContact CB-CB 4.16Å; M204-H209 HydrophobicContact SD-CB 3.86Å; H209-H211 AromaticContact CE1-CG 3.54Å; H209-H211 AromaticContact CE1-ND1 3.57Å; H209-H211 WeakPolarHBondContact ND1-CB 2.67Å; H209-H211 AromaticContact ND1-CG 3.54Å; H209-H211 PolarHBondContact ND1-N 3.36Å; H209-H211 PolarHBondContact O-N 3.49Å; H209-G212 PolarHBondContact O-N 3.37Å; H209-V235 WeakPolarHBondContact CE1-CG1 3.16Å; H209-V235 VanDerWaalsContact NE2-CG1 3.3Å; H209-V235 WeakPolarHBondContact NE2-CG1 2.95Å
210	P	96.4	Very high	96.9	Very high	61 Å²	61	69.9 Å²	69.9	40%	0.396	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-7.2	175.8	-25.6	34.5	0	0	0	116.5	G232 V235	P210-G232 WeakPolarHBondContact CG-O 3.39Å; P210-V235 HydrophobicContact CG-CG2 4.1Å
211	H	97.1	Very high	96.8	Very high	31 Å²	31	70.4 Å²	70.4	14%	0.144	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	1.4	-179.8	-55.1	177.1	0	0	0	111.1	V202 H209 I219	V202-H211 WeakPolarHBondContact CA-O 3.41Å; H209-H211 AromaticContact CE1-CG 3.54Å; H209-H211 AromaticContact CE1-ND1 3.57Å; H209-H211 WeakPolarHBondContact ND1-CB 2.67Å; H209-H211 AromaticContact ND1-CG 3.54Å; H209-H211 PolarHBondContact ND1-N 3.36Å; H209-H211 PolarHBondContact O-N 3.49Å; H211-I219 HydrophobicContact CB-CG2 4.35Å
212	G	95.7	Very high	96.8	Very high	15 Å²	15	75.1 Å²	75.1	16%	0.155	44%	0.437	C	S	.	.			trans	-83.9	161	-174.4	0	0	0	0	0	112.5	M204 P206 H209	M204-G212 CarbonylContact O-C 3.39Å; M204-G212 WeakPolarHBondContact O-CA 3.45Å; P206-G212 WeakPolarHBondContact CA-O 3.4Å; P206-G212 WeakPolarHBondContact CB-O 3.43Å; H209-G212 PolarHBondContact O-N 3.37Å
213	G	96	Very high	96.8	Very high	21 Å²	21	75.9 Å²	75.9	22%	0.216	44%	0.443	C	S	.	.			trans	86.8	-169.5	179.2	0	0	0	0	0	115.1	M204	M204-G213 PolarHBondContact O-N 2.72Å
214	G	95.7	Very high	96.8	Very high	60 Å²	60	76.6 Å²	76.6	62%	0.619	44%	0.442	S	S	*	.	S	Bend	trans	80.9	157.9	-171.7	0	0	0	0	0	112.9	H216	G214-H216 PolarHBondContact O-N 2.94Å
215	N	97	Very high	96.7	Very high	167 Å²	167	77.6 Å²	77.6	89%	0.893	45%	0.448	S	S	*	.	S	Bend	trans	-74	-17	179.2	-65	-8.7	0	0	0	112.6
216	H	97.3	Very high	96.7	Very high	150 Å²	150	80.7 Å²	80.7	69%	0.694	45%	0.451	S	S	*	.	S	Bend	trans	-124.9	143.5	175	-66.3	87.9	0	0	0	110	G214 H218	G214-H216 PolarHBondContact O-N 2.94Å; H216-H218 PolarHBondContact O-N 3.32Å; H216-H218 PolarHBondContact O-ND1 2.8Å
217	Q	97.4	Very high	96.8	Very high	128 Å²	128	84.4 Å²	84.4	60%	0.598	45%	0.453	S	S	*	.			trans	-70.6	92.4	176	-70.7	-172.5	12.4	0	0	111.2	V202	V202-Q217 VanDerWaalsContact CG2-C 3.49Å; V202-Q217 HydrophobicContact CG2-CB 3.91Å
218	H	97.5	Very high	96.7	Very high	103 Å²	103	86.5 Å²	86.5	48%	0.477	46%	0.463	S	S	.	.			trans	-142.7	160.2	175.2	72	-65.2	0	0	0	110.4	V202 H216 G220	V202-H218 VanDerWaalsContact CG2-N 3.33Å; V202-H218 WeakPolarHBondContact CG2-O 3.28Å; H216-H218 PolarHBondContact O-N 3.32Å; H216-H218 PolarHBondContact O-ND1 2.8Å; H218-G220 VanDerWaalsContact CD2-CA 3.48Å; H218-G220 WeakPolarHBondContact CD2-CA 3.3Å; H218-G220 PolarHBondContact CD2-N 3.22Å; H218-G220 VanDerWaalsContact CD2-N 3.32Å
219	I	97.3	Very high	96.7	Very high	68 Å²	68	84.3 Å²	84.3	35%	0.349	45%	0.454	S	S	.	.			trans	-76.5	-30.1	-177.2	-58.6	179.3	0	0	0	111.6	H211 K221	H211-I219 HydrophobicContact CB-CG2 4.35Å; I219-K221 WeakPolarHBondContact CG2-O 3.3Å; I219-K221 PolarHBondContact O-N 2.82Å
220	G	95.4	Very high	96.6	Very high	58 Å²	58	86.4 Å²	86.4	60%	0.598	47%	0.471	S	S	*	.			trans	72.7	-25.3	-179.1	0	0	0	0	0	115.4	H218	H218-G220 VanDerWaalsContact CD2-CA 3.48Å; H218-G220 WeakPolarHBondContact CD2-CA 3.3Å; H218-G220 PolarHBondContact CD2-N 3.22Å; H218-G220 VanDerWaalsContact CD2-N 3.32Å
221	K	95.4	Very high	96.5	Very high	165 Å²	165	90.8 Å²	90.8	72%	0.717	49%	0.486	S	S	*	.	S	Bend	trans	-130.9	161.8	-179.9	-64.5	176.4	-177	175.7	0	111	I219 S223	I219-K221 WeakPolarHBondContact CG2-O 3.3Å; I219-K221 PolarHBondContact O-N 2.82Å; K221-S223 PolarHBondContact O-N 2.92Å
222	P	96.9	Very high	96.4	Very high	110 Å²	110	90 Å²	90	71%	0.714	49%	0.487	S	S	*	.			trans	-54.7	129.8	172	-26.2	35.2	0	0	0	111.4	T224	P222-T224 PolarHBondContact O-N 2.91Å
223	S	97.2	Very high	96.4	Very high	39 Å²	39	98 Å²	98	27%	0.273	51%	0.512	S	S	.	.	S	Bend	trans	-77.4	-6	-179.3	66.3	0	0	0	0	113.7	K221 L237	K221-S223 PolarHBondContact O-N 2.92Å; S223-L237 PolarHBondContact O-N 3.14Å
224	T	97.4	Very high	96.4	Very high	65 Å²	65	100.3 Å²	100.3	40%	0.399	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121.8	174.4	49.2	0	0	0	0	110.6	P222 L237 A240 T243	P222-T224 PolarHBondContact O-N 2.91Å; T224-L237 WeakPolarHBondContact CA-O 3.07Å; T224-L237 HydrophobicContact CG2-CB 4.18Å; T224-L237 HydrophobicContact CG2-CD1 4.31Å; T224-A240 HydrophobicContact CG2-CB 4.41Å; T224-T243 HydrophobicContact CG2-CG2 3.5Å; T224-T243 VanDerWaalsContact CG2-CG2 3.5Å
225	I	97.1	Very high	96.4	Very high	46 Å²	46	98.6 Å²	98.6	24%	0.236	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.2	-177.4	-165.6	73.4	0	0	0	111.2	A229 L237 I238 A239	I225-A229 HydrophobicContact CD1-CB 4.03Å; I225-A229 HydrophobicContact CG1-CB 3.64Å; I225-L237 PolarHBondContact N-O 3.09Å; I225-L237 VanDerWaalsContact N-O 3.08Å; I225-I238 HydrophobicContact CG2-CB 4.13Å; I225-I238 HydrophobicContact CG2-CG1 3.73Å; I225-I238 HydrophobicContact CG2-CG2 4.4Å; I225-A239 PolarHBondContact O-N 3.14Å
226	R	97	Very high	96.3	Very high	172 Å²	172	92.6 Å²	92.6	65%	0.649	47%	0.472	S	S	*	.			trans	-64.4	152.6	175.6	65.2	178.1	-173.1	174.3	-1.4	112.4	D228 A229	R226-D228 VanDerWaalsContact C-N 3.31Å; R226-D228 VanDerWaalsContact CB-OD1 3.26Å; R226-D228 WeakPolarHBondContact CB-OD1 3.38Å; R226-D228 WeakPolarHBondContact CD-OD1 3.45Å; R226-D228 WeakPolarHBondContact CG-OD1 3.4Å; R226-D228 IonicContact CZ-OD2 3.38Å; R226-D228 IonicContact NE-OD1 3.74Å; R226-D228 IonicContact NE-OD2 3.15Å; R226-D228 PolarHBondContact NE-OD2 3.1Å; R226-D228 IonicContact NH1-OD2 3.49Å; R226-D228 PolarHBondContact NH1-OD2 3.26Å; R226-D228 PolarHBondContact O-N 3.27Å; R226-A229 HydrophobicContact CG-CB 4.08Å; R226-A229 WeakPolarHBondContact O-CB 2.81Å; R226-A229 PolarHBondContact O-N 3.16Å
227	R	97	Very high	96.3	Very high	171 Å²	171	89.3 Å²	89.3	65%	0.645	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-33.1	-172.5	-179.2	170.8	-71.4	155.9	0.4	113.3	K234 A239	R227-K234 WeakPolarHBondContact O-CE 3.45Å; R227-K234 PolarHBondContact O-NZ 3.38Å; R227-A239 HydrophobicContact CB-CB 4.05Å
228	D	97	Very high	96.3	Very high	108 Å²	108	87.7 Å²	87.7	58%	0.578	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-0.3	-176.7	61.1	-47.1	0	0	0	113.7	R226	R226-D228 VanDerWaalsContact C-N 3.31Å; R226-D228 VanDerWaalsContact CB-OD1 3.26Å; R226-D228 WeakPolarHBondContact CB-OD1 3.38Å; R226-D228 WeakPolarHBondContact CD-OD1 3.45Å; R226-D228 WeakPolarHBondContact CG-OD1 3.4Å; R226-D228 IonicContact CZ-OD2 3.38Å; R226-D228 IonicContact NE-OD1 3.74Å; R226-D228 IonicContact NE-OD2 3.15Å; R226-D228 PolarHBondContact NE-OD2 3.1Å; R226-D228 IonicContact NH1-OD2 3.49Å; R226-D228 PolarHBondContact NH1-OD2 3.26Å; R226-D228 PolarHBondContact O-N 3.27Å
229	A	96	Very high	96.3	Very high	8 Å²	8	84.4 Å²	84.4	7%	0.066	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-56.2	150.8	175.8	0	0	0	0	0	112.1	I225 R226 R233 K234	I225-A229 HydrophobicContact CD1-CB 4.03Å; I225-A229 HydrophobicContact CG1-CB 3.64Å; R226-A229 HydrophobicContact CG-CB 4.08Å; R226-A229 WeakPolarHBondContact O-CB 2.81Å; R226-A229 PolarHBondContact O-N 3.16Å; A229-R233 HydrophobicContact CB-CB 4.38Å; A229-K234 HydrophobicContact CB-CG 3.97Å; A229-K234 WeakPolarHBondContact O-CE 3.45Å; A229-K234 WeakPolarHBondContact O-CG 3.46Å
230	S	95.9	Very high	96.2	Very high	69 Å²	69	83.2 Å²	83.2	48%	0.483	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-65.5	157.1	-178.6	57.5	0	0	0	0	113.2	G232 R233 K234	S230-G232 PolarHBondContact O-N 3.21Å; S230-R233 PolarHBondContact O-N 3.49Å; S230-K234 PolarHBondContact O-N 3.03Å
231	H	94.2	Very high	96.2	Very high	153 Å²	153	91.7 Å²	91.7	71%	0.708	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	130.8	170.1	-58.3	98.6	0	0	0	109.3	Q8	Q8-H231 PolarHBondContact NE2-O 3.42Å
232	G	94.1	Very high	96	Very high	15 Å²	15	93 Å²	93	16%	0.155	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.5	-31	-170.9	0	0	0	0	0	113.8	I5 P210 S230	I5-G232 VanDerWaalsContact CD1-O 3.3Å; I5-G232 WeakPolarHBondContact CD1-O 3.45Å; P210-G232 WeakPolarHBondContact CG-O 3.39Å; S230-G232 PolarHBondContact O-N 3.21Å
233	R	94.6	Very high	95.9	Very high	181 Å²	181	91.7 Å²	91.7	68%	0.683	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-24.2	170.8	-72.2	-166.4	-178.4	-159.5	4.9	113.8	A229 S230 V235	A229-R233 HydrophobicContact CB-CB 4.38Å; S230-R233 PolarHBondContact O-N 3.49Å; R233-V235 VanDerWaalsContact C-N 3.25Å; R233-V235 PolarHBondContact O-N 3.4Å
234	K	96.5	Very high	95.7	Very high	71 Å²	71	93.2 Å²	93.2	31%	0.309	47%	0.47	S	S	.	.			trans	-68.1	77.9	174.5	-67.2	-169.9	-159.1	-173.3	0	112.1	R227 A229 S230 I238	R227-K234 WeakPolarHBondContact O-CE 3.45Å; R227-K234 PolarHBondContact O-NZ 3.38Å; A229-K234 HydrophobicContact CB-CG 3.97Å; A229-K234 WeakPolarHBondContact O-CE 3.45Å; A229-K234 WeakPolarHBondContact O-CG 3.46Å; S230-K234 PolarHBondContact O-N 3.03Å; K234-I238 HydrophobicContact CB-CD1 4.34Å
235	V	96.1	Very high	95.4	Very high	23 Å²	23	101.1 Å²	101.1	14%	0.139	49%	0.493	C	S	.	.			trans	-135.8	149.5	179.7	-170.3	0	0	0	0	109.5	I5 H209 P210 R233	I5-V235 HydrophobicContact CD1-CG2 3.47Å; I5-V235 VanDerWaalsContact CD1-CG2 3.47Å; H209-V235 WeakPolarHBondContact CE1-CG1 3.16Å; H209-V235 VanDerWaalsContact NE2-CG1 3.3Å; H209-V235 WeakPolarHBondContact NE2-CG1 2.95Å; P210-V235 HydrophobicContact CG-CG2 4.1Å; R233-V235 VanDerWaalsContact C-N 3.25Å; R233-V235 PolarHBondContact O-N 3.4Å
236	G	96	Very high	95	Very high	42 Å²	42	104.2 Å²	104.2	43%	0.433	51%	0.509	S	S	.	.	S	Bend	trans	89.7	-140.1	-174.2	0	0	0	0	0	112.8	I238	G236-I238 PolarHBondContact O-N 3.09Å
237	L	97.2	Very high	94.6	Very high	80 Å²	80	106.8 Å²	106.8	42%	0.419	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	90.4	-177.7	-58.9	179.5	0	0	0	109.8	S223 T224 I225 A239 A240 T243	S223-L237 PolarHBondContact O-N 3.14Å; T224-L237 WeakPolarHBondContact CA-O 3.07Å; T224-L237 HydrophobicContact CG2-CB 4.18Å; T224-L237 HydrophobicContact CG2-CD1 4.31Å; I225-L237 PolarHBondContact N-O 3.09Å; I225-L237 VanDerWaalsContact N-O 3.08Å; L237-A239 PolarHBondContact O-N 3.38Å; L237-A240 HydrophobicContact CB-CB 3.95Å; L237-T243 HydrophobicContact CD1-CG2 3.73Å
238	I	97.5	Very high	94	Very high	94 Å²	94	102 Å²	102	48%	0.482	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	119.3	-174.5	-58.5	165.9	0	0	0	111	I225 K234 G236 A240	I225-I238 HydrophobicContact CG2-CB 4.13Å; I225-I238 HydrophobicContact CG2-CG1 3.73Å; I225-I238 HydrophobicContact CG2-CG2 4.4Å; K234-I238 HydrophobicContact CB-CD1 4.34Å; G236-I238 PolarHBondContact O-N 3.09Å; I238-A240 PolarHBondContact O-N 3.27Å; I238-A240 VanDerWaalsContact O-N 3.17Å
239	A	97	Very high	93	Very high	35 Å²	35	103.1 Å²	103.1	29%	0.289	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	38.3	177.6	0	0	0	0	0	113	I225 R227 L237 R241	I225-A239 PolarHBondContact O-N 3.14Å; R227-A239 HydrophobicContact CB-CB 4.05Å; L237-A239 PolarHBondContact O-N 3.38Å; A239-R241 PolarHBondContact O-N 2.97Å
240	A	95.7	Very high	91.6	Very high	43 Å²	43	112 Å²	112	36%	0.355	57%	0.565	S	S	.	*			trans	-66.8	120.8	179.6	0	0	0	0	0	110.2	T224 L237 I238 R242 T243	T224-A240 HydrophobicContact CG2-CB 4.41Å; L237-A240 HydrophobicContact CB-CB 3.95Å; I238-A240 PolarHBondContact O-N 3.27Å; I238-A240 VanDerWaalsContact O-N 3.17Å; A240-R242 VanDerWaalsContact C-N 3.35Å; A240-T243 HydrophobicContact CB-CG2 4.11Å
241	R	93.9	Very high	89.8	Confident	236 Å²	236	114.2 Å²	114.2	89%	0.891	58%	0.575	S	S	*	*	S	Bend	trans	-77.9	-22.8	174.5	-65.1	-177.9	176.4	178.6	-2.9	113	A239	A239-R241 PolarHBondContact O-N 2.97Å
242	R	91.8	Very high	88	Confident	192 Å²	192	110.7 Å²	110.7	73%	0.725	56%	0.561	S	S	*	*			trans	-147.4	142.5	178.8	-178.8	-177.9	-75.2	-177.6	-4.3	107.6	A240	A240-R242 VanDerWaalsContact C-N 3.35Å
243	T	94.1	Very high	86	Confident	83 Å²	83	115.5 Å²	115.5	51%	0.509	59%	0.588	S	S	.	*			trans	-122.7	172.4	173	59.2	0	0	0	0	110	T224 L237 A240	T224-T243 HydrophobicContact CG2-CG2 3.5Å; T224-T243 VanDerWaalsContact CG2-CG2 3.5Å; L237-T243 HydrophobicContact CD1-CG2 3.73Å; A240-T243 HydrophobicContact CB-CG2 4.11Å
244	G	92.8	Very high	83.5	Confident	70 Å²	70	108 Å²	108	72%	0.722	56%	0.563	S	S	*	*	S	Bend	trans	85.5	-175.2	-178.6	0	0	0	0	0	114.6	I246	G244-I246 PolarHBondContact O-N 3.36Å
245	R	92	Very high	81	Confident	231 Å²	231	114.4 Å²	114.4	87%	0.872	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-70.1	125.3	179.2	-176.4	175.7	178.9	177	-0.6	109.7	R247	R245-R247 PolarHBondContact O-N 3.26Å
246	I	89.1	Confident	78.3	Confident	112 Å²	112	116.5 Å²	116.5	57%	0.574	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-66.4	117.3	174.7	-60.9	172.2	0	0	0	108.1	G244	G244-I246 PolarHBondContact O-N 3.36Å
247	R	88.3	Confident	75.7	Confident	226 Å²	226	119.9 Å²	119.9	85%	0.853	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-98.6	134	168.3	-63.2	-172.1	-179.8	-168.5	0.1	108.5	R245	R245-R247 PolarHBondContact O-N 3.26Å
248	G	83.4	Confident	72.7	Confident	69 Å²	69	124.9 Å²	124.9	71%	0.711	63%	0.633	S	S	*	*	S	Bend	trans	86.8	178.8	-175	0	0	0	0	0	114.6
249	T	77.2	Confident	69.5	Low	133 Å²	133	132.5 Å²	132.5	82%	0.816	67%	0.667	S	S	*	*			trans	-81.8	144	174.1	51.7	0	0	0	0	110.1	T251	T249-T251 PolarHBondContact O-N 3.41Å
250	R	66.6	Low	68.1	Low	195 Å²	195	137.4 Å²	137.4	74%	0.736	69%	0.685	S	S	*	*			trans	-71.6	96.9	176.1	-171.8	177.2	120.4	169.4	-1.7	108.6	S152 I252	S152-R250 PolarHBondContact O-NH2 3.24Å; R250-I252 PolarHBondContact O-N 2.96Å
251	T	57.7	Low	66.7	Low	114 Å²	114	142.4 Å²	142.4	70%	0.699	70%	0.703	S	S	*	*			trans	-58.5	125.2	171.6	23.2	0	0	0	0	109.5	T249 T253	T249-T251 PolarHBondContact O-N 3.41Å; T251-T253 VanDerWaalsContact C-N 3.33Å; T251-T253 PolarHBondContact O-N 2.96Å
252	I	57	Low	65.2	Low	79 Å²	79	137.2 Å²	137.2	41%	0.405	69%	0.692	S	S	.	*			trans	-73.3	93.1	173.8	-61.3	169	0	0	0	106	G153 R250 S254	G153-I252 WeakPolarHBondContact O-CG2 3.21Å; R250-I252 PolarHBondContact O-N 2.96Å; I252-S254 PolarHBondContact O-N 2.97Å; I252-S254 VanDerWaalsContact O-N 3.1Å
253	T	51.3	Low	63.6	Low	117 Å²	117	133.9 Å²	133.9	72%	0.718	69%	0.69	S	S	*	*			trans	-63.2	111.4	172	49.2	0	0	0	0	108.7	T251	T251-T253 VanDerWaalsContact C-N 3.33Å; T251-T253 PolarHBondContact O-N 2.96Å
254	S	42.3	Very low	61.7	Low	24 Å²	24	137.1 Å²	137.1	17%	0.168	70%	0.702	C	S	.	*			trans	-68.8	136.8	170.5	0.7	0	0	0	0	108.1	I252 S256 D257	I252-S254 PolarHBondContact O-N 2.97Å; I252-S254 VanDerWaalsContact O-N 3.1Å; S254-S256 WeakPolarHBondContact CB-OG 3.4Å; S254-S256 PolarHBondContact O-N 3.4Å; S254-S256 VanDerWaalsContact O-N 3.1Å; S254-D257 PolarHBondContact N-OD2 3.4Å; S254-D257 PolarHBondContact O-N 3.28Å; S254-D257 VanDerWaalsContact O-N 3.08Å; S254-D257 PolarHBondContact OG-OD1 3.36Å; S254-D257 VanDerWaalsContact OG-OD1 3.1Å; S254-D257 PolarHBondContact OG-OD2 2.89Å
255	K	44.6	Very low	59.6	Low	205 Å²	205	141.6 Å²	141.6	89%	0.891	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-11	174.7	-132.4	-174.7	179.8	-164.8	0	112.8	D257	K255-D257 VanDerWaalsContact C-N 3.32Å
256	S	39.6	Very low	57.3	Low	66 Å²	66	135.2 Å²	135.2	46%	0.462	69%	0.688	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.2	-4.5	173.2	54.5	0	0	0	0	114	S254 K258	S254-S256 WeakPolarHBondContact CB-OG 3.4Å; S254-S256 PolarHBondContact O-N 3.4Å; S254-S256 VanDerWaalsContact O-N 3.1Å; S256-K258 PolarHBondContact O-N 3.1Å
257	D	39.7	Very low	54.8	Low	114 Å²	114	137 Å²	137	61%	0.61	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	20.1	176.2	-46	-25.6	0	0	0	110.7	S254 K255	S254-D257 PolarHBondContact N-OD2 3.4Å; S254-D257 PolarHBondContact O-N 3.28Å; S254-D257 VanDerWaalsContact O-N 3.08Å; S254-D257 PolarHBondContact OG-OD1 3.36Å; S254-D257 VanDerWaalsContact OG-OD1 3.1Å; S254-D257 PolarHBondContact OG-OD2 2.89Å; K255-D257 VanDerWaalsContact C-N 3.32Å
258	K	35.5	Very low	52.1	Low	184 Å²	184	129.6 Å²	129.6	80%	0.8	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.6	1.2	-174.7	-95	-162.4	171.2	-142.7	0	114.7	S256	S256-K258 PolarHBondContact O-N 3.1Å
259	E	29.9	Very low	49.2	Very low	255 Å²	255	135.1 Å²	135.1	100%	1.192	68%	0.681	S	S	*	*			trans	-155.6	0	170.6	-99.9	162	-161.5	0	0	107.9

Retrieved 259 of 259 residues in 42.2 ms (Link to these results)

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