A0A077ZC94_TRITR Loading...

Large ribosomal subunit protein uL2

AlphaFold DB , UniProt , Accession A0A077ZC94, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 257 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	58.1	Low	89.9	Confident	239 Å²	239	104.4 Å²	104.4	100%	1.177	54%	0.538	S	S	*	.				0	125.2	0	-141.7	-175.8	-73.7	0	0	108.5
2	G	81.9	Confident	90	Very high	71 Å²	71	101.7 Å²	101.7	73%	0.732	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-82	159	-175.3	0	0	0	0	0	113.7
3	R	93.5	Very high	89.6	Confident	157 Å²	157	95.3 Å²	95.3	59%	0.592	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-85.8	149.1	176.4	-159	-178.9	-167.7	173	7.3	111.2	I5 V207 D208	R3-I5 PolarHBondContact O-N 3.38Å; R3-V207 HydrophobicContact CB-CG2 4.12Å; R3-V207 WeakPolarHBondContact CB-O 3.45Å; R3-V207 PolarHBondContact N-O 3.47Å; R3-D208 WeakPolarHBondContact CD-OD1 3.5Å; R3-D208 IonicContact CZ-OD1 2.91Å; R3-D208 IonicContact NE-OD1 3.11Å; R3-D208 IonicContact NH1-OD1 3.91Å; R3-D208 PolarHBondContact NH1-OD1 3.16Å
4	R	94.1	Very high	89.8	Confident	191 Å²	191	94.6 Å²	94.6	72%	0.721	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-65.4	121.1	171.5	-69.9	-174.9	179.5	-173.3	0.4	110.7	R9	R4-R9 HydrophobicContact CB-CG 4.31Å
5	I	95.1	Very high	90.1	Very high	8 Å²	8	93.3 Å²	93.3	4%	0.041	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-69.2	159.3	-177.7	66.7	171.6	0	0	0	111.7	R3 A7 Q8 R9 D208 V235	R3-I5 PolarHBondContact O-N 3.38Å; I5-A7 HydrophobicContact CD1-CB 3.75Å; I5-A7 HydrophobicContact CG1-CB 4.02Å; I5-A7 PolarHBondContact O-N 2.84Å; I5-A7 VanDerWaalsContact O-N 3.1Å; I5-Q8 HydrophobicContact CG1-CB 4.26Å; I5-Q8 HydrophobicContact CG1-CG 3.8Å; I5-Q8 VanDerWaalsContact N-OE1 3.13Å; I5-Q8 PolarHBondContact O-N 2.82Å; I5-R9 WeakPolarHBondContact O-CG 3.18Å; I5-R9 PolarHBondContact O-N 2.79Å; I5-R9 VanDerWaalsContact O-N 3.1Å; I5-D208 WeakPolarHBondContact CG2-O 3.08Å; I5-V235 HydrophobicContact CD1-CG1 3.71Å
6	R	94.1	Very high	90.5	Very high	90 Å²	90	89.1 Å²	89.1	34%	0.34	48%	0.482	S	S	.	.	H	α-helix	trans	-52.7	-34.8	176.1	-172.9	-176.2	67.3	-159.4	-5.7	113	R9 K10 F16 V199	R6-R9 PolarHBondContact O-N 3.29Å; R6-K10 WeakPolarHBondContact O-CG 3.16Å; R6-K10 PolarHBondContact O-N 2.91Å; R6-F16 HydrophobicContact CG-CE1 4.47Å; R6-F16 HydrophobicContact CG-CZ 3.91Å; R6-V199 PolarHBondContact NH1-O 3.47Å
7	A	92.8	Very high	90.8	Very high	55 Å²	55	94.6 Å²	94.6	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-63.6	-44.2	179	0	0	0	0	0	112	I5 K10	I5-A7 HydrophobicContact CD1-CB 3.75Å; I5-A7 HydrophobicContact CG1-CB 4.02Å; I5-A7 PolarHBondContact O-N 2.84Å; I5-A7 VanDerWaalsContact O-N 3.1Å; A7-K10 PolarHBondContact O-N 2.91Å
8	Q	94.8	Very high	91.1	Very high	71 Å²	71	92.7 Å²	92.7	33%	0.332	49%	0.494	S	S	.	.	H	α-helix	trans	-66.1	-42	176.2	-67.6	174.1	-58.7	0	0	111.4	I5 K10 G11 A231	I5-Q8 HydrophobicContact CG1-CB 4.26Å; I5-Q8 HydrophobicContact CG1-CG 3.8Å; I5-Q8 VanDerWaalsContact N-OE1 3.13Å; I5-Q8 PolarHBondContact O-N 2.82Å; Q8-K10 PolarHBondContact O-N 2.87Å; Q8-K10 VanDerWaalsContact O-N 3.16Å; Q8-G11 PolarHBondContact O-N 2.85Å; Q8-A231 HydrophobicContact CG-CB 4.21Å
9	R	95.3	Very high	91.4	Very high	111 Å²	111	93.3 Å²	93.3	42%	0.419	49%	0.493	S	S	.	.	H	α-helix	trans	-64	-19.9	-178.8	-67.3	174.3	61.7	-167.4	1.9	114.3	R4 I5 R6 G11 S12 F16	R4-R9 HydrophobicContact CB-CG 4.31Å; I5-R9 WeakPolarHBondContact O-CG 3.18Å; I5-R9 PolarHBondContact O-N 2.79Å; I5-R9 VanDerWaalsContact O-N 3.1Å; R6-R9 PolarHBondContact O-N 3.29Å; R9-G11 VanDerWaalsContact C-N 3.26Å; R9-G11 PolarHBondContact O-N 2.78Å; R9-S12 PolarHBondContact O-OG 3.08Å; R9-F16 HydrophobicContact CB-CD2 4.43Å; R9-F16 HydrophobicContact CB-CE2 3.86Å; R9-F16 VanDerWaalsContact O-CD2 3.3Å; R9-F16 WeakPolarHBondContact O-CD2 3.5Å
10	K	95	Very high	91.6	Very high	82 Å²	82	93.3 Å²	93.3	36%	0.357	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-28.4	177.6	-77	173.7	-179.2	176.9	0	113.1	R6 A7 Q8 F16	R6-K10 WeakPolarHBondContact O-CG 3.16Å; R6-K10 PolarHBondContact O-N 2.91Å; A7-K10 PolarHBondContact O-N 2.91Å; Q8-K10 PolarHBondContact O-N 2.87Å; Q8-K10 VanDerWaalsContact O-N 3.16Å; K10-F16 HydrophobicContact CB-CD2 4.47Å; K10-F16 HydrophobicContact CB-CG 4.39Å; K10-F16 HydrophobicContact CG-CB 4.38Å; K10-F16 HydrophobicContact CG-CD1 3.89Å; K10-F16 HydrophobicContact CG-CD2 4.07Å; K10-F16 HydrophobicContact CG-CE1 4.16Å; K10-F16 HydrophobicContact CG-CE2 4.32Å; K10-F16 HydrophobicContact CG-CG 3.84Å; K10-F16 HydrophobicContact CG-CZ 4.37Å
11	G	93.8	Very high	91.8	Very high	73 Å²	73	96.6 Å²	96.6	75%	0.753	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-27.4	-178.6	0	0	0	0	0	113.9	Q8 R9 G13	Q8-G11 PolarHBondContact O-N 2.85Å; R9-G11 VanDerWaalsContact C-N 3.26Å; R9-G11 PolarHBondContact O-N 2.78Å; G11-G13 PolarHBondContact O-N 2.9Å; G11-G13 VanDerWaalsContact O-N 3.16Å
12	S	91.4	Very high	93.7	Very high	72 Å²	72	91.2 Å²	91.2	50%	0.503	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.1	-177.9	66.2	0	0	0	0	113.9	R9 T14	R9-S12 PolarHBondContact O-OG 3.08Å; S12-T14 VanDerWaalsContact C-N 3.35Å; S12-T14 PolarHBondContact O-N 2.81Å
13	G	85.4	Confident	94.4	Very high	19 Å²	19	91.6 Å²	91.6	20%	0.196	46%	0.461	C	S	.	.			trans	58.3	41.8	174.6	0	0	0	0	0	113.3	G11 R17	G11-G13 PolarHBondContact O-N 2.9Å; G11-G13 VanDerWaalsContact O-N 3.16Å; G13-R17 WeakPolarHBondContact O-CD 3.31Å; G13-R17 WeakPolarHBondContact O-CG 3.36Å; G13-R17 PolarHBondContact O-NE 3.47Å
14	T	92.1	Very high	94.5	Very high	85 Å²	85	89.9 Å²	89.9	52%	0.521	46%	0.457	S	S	.	.	S	Bend	trans	-92.4	-104.1	169.9	55.8	0	0	0	0	109	S12 F16 R17	S12-T14 VanDerWaalsContact C-N 3.35Å; S12-T14 PolarHBondContact O-N 2.81Å; T14-F16 PolarHBondContact O-N 2.83Å; T14-R17 PolarHBondContact O-N 3.41Å
15	V	94.8	Very high	94.5	Very high	75 Å²	75	82.4 Å²	82.4	46%	0.455	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-8.5	177.3	-58.9	0	0	0	0	114.3	K194	V15-K194 WeakPolarHBondContact O-CB 3.2Å
16	F	95.7	Very high	94.6	Very high	27 Å²	27	85 Å²	85	12%	0.118	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	5.5	-177.9	-63.4	-68.6	0	0	0	113.8	R6 R9 K10 T14 K194	R6-F16 HydrophobicContact CG-CE1 4.47Å; R6-F16 HydrophobicContact CG-CZ 3.91Å; R9-F16 HydrophobicContact CB-CD2 4.43Å; R9-F16 HydrophobicContact CB-CE2 3.86Å; R9-F16 VanDerWaalsContact O-CD2 3.3Å; R9-F16 WeakPolarHBondContact O-CD2 3.5Å; K10-F16 HydrophobicContact CB-CD2 4.47Å; K10-F16 HydrophobicContact CB-CG 4.39Å; K10-F16 HydrophobicContact CG-CB 4.38Å; K10-F16 HydrophobicContact CG-CD1 3.89Å; K10-F16 HydrophobicContact CG-CD2 4.07Å; K10-F16 HydrophobicContact CG-CE1 4.16Å; K10-F16 HydrophobicContact CG-CE2 4.32Å; K10-F16 HydrophobicContact CG-CG 3.84Å; K10-F16 HydrophobicContact CG-CZ 4.37Å; T14-F16 PolarHBondContact O-N 2.83Å; F16-K194 VanDerWaalsContact CD1-O 3.26Å; F16-K194 WeakPolarHBondContact CD1-O 3.26Å
17	R	96.1	Very high	94.7	Very high	183 Å²	183	80.8 Å²	80.8	69%	0.691	45%	0.447	S	S	*	.	S	Bend	trans	-57	151.5	170.1	-70.7	-174.4	-178.7	-178.6	6.2	110.4	G13 T14	G13-R17 WeakPolarHBondContact O-CD 3.31Å; G13-R17 WeakPolarHBondContact O-CG 3.36Å; G13-R17 PolarHBondContact O-NE 3.47Å; T14-R17 PolarHBondContact O-N 3.41Å
18	A	96.1	Very high	94.9	Very high	60 Å²	60	83.9 Å²	83.9	50%	0.496	45%	0.447	S	S	.	.			trans	-71.6	133.9	171.7	0	0	0	0	0	109.3	T20	A18-T20 HydrophobicContact CB-CG2 4.12Å; A18-T20 PolarHBondContact O-N 3.19Å
19	H	96.3	Very high	95	Very high	103 Å²	103	80.5 Å²	80.5	48%	0.477	43%	0.431	S	S	.	.			trans	-72.7	107.6	168.2	-56.7	108.5	0	0	0	108.6	K190 K192	H19-K190 PolarHBondContact ND1-O 3.47Å; H19-K192 PolarHBondContact ND1-O 3.28Å
20	T	96.1	Very high	95.1	Very high	93 Å²	93	75.7 Å²	75.7	57%	0.571	41%	0.413	S	S	*	.			trans	-110.5	-7.5	-174.6	50.6	0	0	0	0	114.1	A18 H22 R23	A18-T20 HydrophobicContact CB-CG2 4.12Å; A18-T20 PolarHBondContact O-N 3.19Å; T20-H22 VanDerWaalsContact C-N 3.31Å; T20-H22 PolarHBondContact O-N 3.35Å; T20-R23 VanDerWaalsContact O-CB 3.29Å; T20-R23 WeakPolarHBondContact O-CB 3.44Å; T20-R23 WeakPolarHBondContact O-CG 3.19Å; T20-R23 PolarHBondContact O-N 2.96Å
21	H	96.2	Very high	95.1	Very high	163 Å²	163	74.1 Å²	74.1	76%	0.755	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-45.7	-174.1	-179.4	-103.8	0	0	0	113.9
22	H	96.9	Very high	95.2	Very high	126 Å²	126	72.6 Å²	72.6	58%	0.583	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	6.9	-177.7	-58.1	-74.3	0	0	0	114.4	T20 P52	T20-H22 VanDerWaalsContact C-N 3.31Å; T20-H22 PolarHBondContact O-N 3.35Å; H22-P52 HydrophobicContact CB-CB 4.16Å; H22-P52 HydrophobicContact CB-CG 3.91Å; H22-P52 VanDerWaalsContact O-CD 3.32Å; H22-P52 WeakPolarHBondContact O-CD 3.47Å; H22-P52 WeakPolarHBondContact O-CG 3.46Å
23	R	96.9	Very high	95.3	Very high	79 Å²	79	70.4 Å²	70.4	30%	0.298	37%	0.373	S	S	.	.			trans	-66.7	135.9	179.6	-69.5	-72.2	-175.5	167.8	-7.3	110	T20 G25 D51 P52 G53	T20-R23 VanDerWaalsContact O-CB 3.29Å; T20-R23 WeakPolarHBondContact O-CB 3.44Å; T20-R23 WeakPolarHBondContact O-CG 3.19Å; T20-R23 PolarHBondContact O-N 2.96Å; R23-G25 VanDerWaalsContact C-N 3.25Å; R23-G25 PolarHBondContact O-N 3.48Å; R23-D51 VanDerWaalsContact CA-OD1 3.3Å; R23-D51 WeakPolarHBondContact CA-OD1 3.33Å; R23-D51 WeakPolarHBondContact CD-OD1 3.36Å; R23-D51 IonicContact CZ-OD2 3.88Å; R23-D51 IonicContact NH1-OD2 2.73Å; R23-D51 PolarHBondContact NH1-OD2 2.84Å; R23-P52 VanDerWaalsContact CD-O 3.26Å; R23-P52 WeakPolarHBondContact CD-O 3.38Å; R23-P52 PolarHBondContact NE-O 2.92Å; R23-P52 PolarHBondContact NH1-O 3Å; R23-P52 VanDerWaalsContact NH1-O 3.14Å; R23-P52 PolarHBondContact NH2-O 3.04Å; R23-G53 VanDerWaalsContact NH2-C 3.31Å; R23-G53 PolarHBondContact NH2-O 2.97Å
24	K	96.6	Very high	95.9	Very high	121 Å²	121	76 Å²	76	53%	0.526	39%	0.392	S	S	.	.			trans	-80.1	-6.6	-177.3	-59.2	-62.1	-176.3	176.8	0	114.1	I49 D51	K24-I49 HydrophobicContact CB-CD1 3.81Å; K24-I49 HydrophobicContact CD-CD1 4.27Å; K24-I49 HydrophobicContact CG-CD1 3.8Å; K24-D51 HydrophobicContact CG-CB 4.47Å; K24-D51 PolarHBondContact N-OD1 3.14Å
25	G	93.3	Very high	96	Very high	34 Å²	34	72.3 Å²	72.3	35%	0.351	37%	0.37	S	S	.	.			trans	133.7	170	179	0	0	0	0	0	112.4	R23 A27	R23-G25 VanDerWaalsContact C-N 3.25Å; R23-G25 PolarHBondContact O-N 3.48Å; G25-A27 PolarHBondContact O-N 3.35Å
26	A	96.2	Very high	96.1	Very high	62 Å²	62	69 Å²	69	51%	0.512	35%	0.349	S	S	.	.			trans	-76.5	116.4	174.8	0	0	0	0	0	109.7	R28	A26-R28 HydrophobicContact CB-CG 4.36Å; A26-R28 PolarHBondContact O-N 3.11Å
27	A	97.1	Very high	96.1	Very high	2 Å²	2	75 Å²	75	2%	0.017	37%	0.371	C	S	.	.			trans	-67.3	121.8	173	0	0	0	0	0	110	G25 L58 V75 I77 R128	G25-A27 PolarHBondContact O-N 3.35Å; A27-L58 HydrophobicContact CB-CD2 3.57Å; A27-V75 CarbonylContact C-O 3.57Å; A27-V75 WeakPolarHBondContact CA-O 3.44Å; A27-I77 HydrophobicContact CB-CG1 3.9Å; A27-R128 PolarHBondContact O-NH2 2.85Å
28	R	97.1	Very high	96	Very high	121 Å²	121	72.4 Å²	72.4	46%	0.457	37%	0.365	S	S	.	.			trans	-151.7	151.3	-175.8	-67.3	-175.9	-177	172.7	0.5	109.3	A26 V75 R123	A26-R28 HydrophobicContact CB-CG 4.36Å; A26-R28 PolarHBondContact O-N 3.11Å; R28-V75 PolarHBondContact N-O 3.49Å; R28-V75 VanDerWaalsContact O-O 3.06Å; R28-R123 WeakPolarHBondContact CA-O 3.39Å; R28-R123 HydrophobicContact CB-CB 3.89Å; R28-R123 HydrophobicContact CG-CB 4.36Å
29	F	97.3	Very high	96	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-63.3	170.8	161.4	-64.8	-37.8	0	0	0	110.8	I101 N115 E117 R123 R163 M165	F29-I101 HydrophobicContact CD1-CD1 3.37Å; F29-I101 HydrophobicContact CD1-CG1 4.1Å; F29-I101 HydrophobicContact CD1-CG2 4.35Å; F29-I101 HydrophobicContact CD2-CG2 4.49Å; F29-I101 HydrophobicContact CE1-CD1 3.53Å; F29-I101 HydrophobicContact CE1-CG1 3.78Å; F29-I101 HydrophobicContact CE1-CG2 4.23Å; F29-I101 HydrophobicContact CE2-CG2 4.38Å; F29-I101 HydrophobicContact CG-CD1 4.27Å; F29-I101 HydrophobicContact CG-CG2 4.48Å; F29-I101 HydrophobicContact CZ-CG1 4.41Å; F29-I101 HydrophobicContact CZ-CG2 4.24Å; F29-N115 WeakPolarHBondContact CD1-ND2 3.16Å; F29-N115 HydrophobicContact CE1-CB 4.07Å; F29-N115 WeakPolarHBondContact CE1-ND2 3.03Å; F29-N115 WeakPolarHBondContact CE2-O 3.3Å; F29-N115 HydrophobicContact CZ-CB 3.73Å; F29-N115 VanDerWaalsContact CZ-ND2 3.25Å; F29-N115 WeakPolarHBondContact CZ-ND2 3.46Å; F29-N115 WeakPolarHBondContact CZ-O 3.15Å; F29-E117 HydrophobicContact CD2-CG 4.13Å; F29-E117 HydrophobicContact CE2-CG 4.2Å; F29-R123 HydrophobicContact CB-CB 4.34Å; F29-R123 PolarHBondContact N-O 3.18Å; F29-R123 PolarHBondContact O-NE 2.99Å; F29-R123 PolarHBondContact O-NH2 2.81Å; F29-R163 HydrophobicContact CD2-CB 4.12Å; F29-R163 HydrophobicContact CE2-CB 4.05Å; F29-M165 HydrophobicContact CE1-CB 4.03Å; F29-M165 HydrophobicContact CE1-CE 4.26Å; F29-M165 HydrophobicContact CZ-CB 4.06Å
30	R	96.2	Very high	96.1	Very high	9 Å²	9	71.7 Å²	71.7	3%	0.034	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-57.9	162.9	168.3	-81.1	175.4	62.5	90.5	2.7	112.2	D33 E36 F63 E74 M76 R163	R30-D33 IonicContact CZ-OD2 3.8Å; R30-D33 IonicContact NH2-OD2 2.74Å; R30-D33 PolarHBondContact NH2-OD2 2.99Å; R30-E36 WeakPolarHBondContact CB-OE1 3.35Å; R30-E36 WeakPolarHBondContact CD-OE1 3.5Å; R30-E36 IonicContact NE-OE1 2.72Å; R30-E36 PolarHBondContact NE-OE1 2.8Å; R30-E36 VanDerWaalsContact NE-OE1 3.16Å; R30-F63 HydrophobicContact CG-CD2 4.02Å; R30-F63 HydrophobicContact CG-CE2 3.8Å; R30-F63 HydrophobicContact CG-CZ 4.13Å; R30-E74 HydrophobicContact CG-CG 3.79Å; R30-M76 HydrophobicContact CG-CE 3.98Å; R30-R163 PolarHBondContact O-NH1 2.86Å; R30-R163 PolarHBondContact O-NH2 3.02Å
31	A	95	Very high	96.1	Very high	50 Å²	50	67.9 Å²	67.9	41%	0.413	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-60.4	139	163.2	0	0	0	0	0	109.5	D33	A31-D33 PolarHBondContact O-N 2.83Å
32	L	95.7	Very high	96.2	Very high	41 Å²	41	66.8 Å²	66.8	22%	0.215	32%	0.317	C	S	.	.			trans	-76.6	93.7	179.6	-175	71.1	0	0	0	109.9	E36 R37 T120	L32-E36 HydrophobicContact CD1-CB 4.11Å; L32-R37 HydrophobicContact CD1-CG 4.05Å; L32-R37 HydrophobicContact CD2-CG 4.27Å; L32-R37 HydrophobicContact CG-CG 3.91Å; L32-R37 PolarHBondContact O-NH2 2.87Å; L32-T120 HydrophobicContact CD2-CG2 3.88Å
33	D	95.1	Very high	96.2	Very high	26 Å²	26	60.9 Å²	60.9	14%	0.139	29%	0.29	C	S	.	.			trans	-98.1	-177.6	-179.6	60.8	18.9	0	0	0	112.4	R30 A31 A35 E36 R37	R30-D33 IonicContact CZ-OD2 3.8Å; R30-D33 IonicContact NH2-OD2 2.74Å; R30-D33 PolarHBondContact NH2-OD2 2.99Å; A31-D33 PolarHBondContact O-N 2.83Å; D33-A35 VanDerWaalsContact C-N 3.31Å; D33-A35 PolarHBondContact O-N 3.18Å; D33-A35 PolarHBondContact OD1-N 2.86Å; D33-E36 PolarHBondContact O-N 2.96Å; D33-E36 PolarHBondContact OD1-N 3.3Å; D33-R37 VanDerWaalsContact O-CG 3.28Å; D33-R37 WeakPolarHBondContact O-CG 3.16Å; D33-R37 PolarHBondContact O-N 2.91Å
34	F	96.1	Very high	96.2	Very high	136 Å²	136	59.3 Å²	59.3	60%	0.596	29%	0.289	S	S	*	.	H	α-helix	trans	-62.1	-38.4	-180	-176.8	-97.6	0	0	0	112.5	E36 R37 K38	F34-E36 PolarHBondContact O-N 2.86Å; F34-R37 PolarHBondContact O-N 2.79Å; F34-K38 HydrophobicContact CD2-CG 4.23Å; F34-K38 HydrophobicContact CE1-CB 4.41Å; F34-K38 HydrophobicContact CE2-CG 3.79Å; F34-K38 HydrophobicContact CZ-CB 4.28Å; F34-K38 HydrophobicContact CZ-CG 3.95Å; F34-K38 PolarHBondContact O-N 2.84Å
35	A	95.6	Very high	96.3	Very high	7 Å²	7	53.5 Å²	53.5	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-58.7	-50	178.3	0	0	0	0	0	112.1	D33 R37 G39 Y40 I41 M66	D33-A35 VanDerWaalsContact C-N 3.31Å; D33-A35 PolarHBondContact O-N 3.18Å; D33-A35 PolarHBondContact OD1-N 2.86Å; A35-R37 VanDerWaalsContact C-N 3.32Å; A35-R37 PolarHBondContact O-N 3.39Å; A35-G39 CarbonylContact O-C 3.53Å; A35-G39 VanDerWaalsContact O-CA 3.26Å; A35-G39 WeakPolarHBondContact O-CA 3.31Å; A35-G39 PolarHBondContact O-N 2.85Å; A35-Y40 PolarHBondContact O-N 2.74Å; A35-I41 HydrophobicContact CB-CB 4.23Å; A35-M66 HydrophobicContact CB-CE 3.58Å; A35-M66 HydrophobicContact CB-SD 3.22Å; A35-M66 WeakPolarHBondContact CB-SD 3.32Å
36	E	95.8	Very high	96.6	Very high	7 Å²	7	58.5 Å²	58.5	3%	0.033	28%	0.276	C	S	.	.	H	α-helix	trans	-69.5	-31.9	-178.9	-75.5	-171.7	-140	0	0	112.7	R30 L32 D33 F34 I41 C90 G91 R92 R163	R30-E36 WeakPolarHBondContact CB-OE1 3.35Å; R30-E36 WeakPolarHBondContact CD-OE1 3.5Å; R30-E36 IonicContact NE-OE1 2.72Å; R30-E36 PolarHBondContact NE-OE1 2.8Å; R30-E36 VanDerWaalsContact NE-OE1 3.16Å; L32-E36 HydrophobicContact CD1-CB 4.11Å; D33-E36 PolarHBondContact O-N 2.96Å; D33-E36 PolarHBondContact OD1-N 3.3Å; F34-E36 PolarHBondContact O-N 2.86Å; E36-I41 HydrophobicContact CG-CG2 3.98Å; E36-C90 HydrophobicContact CG-CB 3.99Å; E36-G91 CarbonylContact O-C 3.59Å; E36-G91 VanDerWaalsContact O-CA 3.25Å; E36-G91 WeakPolarHBondContact O-CA 3.4Å; E36-R92 PolarHBondContact O-N 2.98Å; E36-R163 IonicContact OE1-NH1 3.98Å; E36-R163 VanDerWaalsContact OE2-CD 3.32Å; E36-R163 WeakPolarHBondContact OE2-CD 3.43Å; E36-R163 IonicContact OE2-CZ 3.25Å; E36-R163 IonicContact OE2-NE 2.93Å; E36-R163 IonicContact OE2-NH1 3.6Å; E36-R163 PolarHBondContact OE2-NH1 2.81Å
37	R	95.3	Very high	96.6	Very high	152 Å²	152	59.3 Å²	59.3	57%	0.574	27%	0.271	S	S	*	.	H	α-helix	trans	-70.1	-38.6	179.2	-72	177.2	-167.9	-164.2	4	113.3	L32 D33 F34 A35	L32-R37 HydrophobicContact CD1-CG 4.05Å; L32-R37 HydrophobicContact CD2-CG 4.27Å; L32-R37 HydrophobicContact CG-CG 3.91Å; L32-R37 PolarHBondContact O-NH2 2.87Å; D33-R37 VanDerWaalsContact O-CG 3.28Å; D33-R37 WeakPolarHBondContact O-CG 3.16Å; D33-R37 PolarHBondContact O-N 2.91Å; F34-R37 PolarHBondContact O-N 2.79Å; A35-R37 VanDerWaalsContact C-N 3.32Å; A35-R37 PolarHBondContact O-N 3.39Å
38	K	95.3	Very high	96.7	Very high	129 Å²	129	61.6 Å²	61.6	56%	0.561	28%	0.283	S	S	*	.	H	α-helix	trans	-113.5	-27.9	-170.5	-65.7	-66.8	-172.3	170.4	0	114.2	F34	F34-K38 HydrophobicContact CD2-CG 4.23Å; F34-K38 HydrophobicContact CE1-CB 4.41Å; F34-K38 HydrophobicContact CE2-CG 3.79Å; F34-K38 HydrophobicContact CZ-CB 4.28Å; F34-K38 HydrophobicContact CZ-CG 3.95Å; F34-K38 PolarHBondContact O-N 2.84Å
39	G	96.6	Very high	96.7	Very high	18 Å²	18	57.6 Å²	57.6	19%	0.186	27%	0.27	C	S	.	.	S	Bend	trans	-133.1	-131.4	-176.2	0	0	0	0	0	111.9	A35 G91 R92 R93	A35-G39 CarbonylContact O-C 3.53Å; A35-G39 VanDerWaalsContact O-CA 3.26Å; A35-G39 WeakPolarHBondContact O-CA 3.31Å; A35-G39 PolarHBondContact O-N 2.85Å; G39-G91 CarbonylContact O-C 3.55Å; G39-G91 WeakPolarHBondContact O-CA 3.28Å; G39-R92 PolarHBondContact O-N 3.46Å; G39-R93 PolarHBondContact O-N 2.86Å
40	Y	96.7	Very high	96.7	Very high	130 Å²	130	63.4 Å²	63.4	51%	0.51	30%	0.297	S	S	.	.			trans	-144.9	158.1	172.1	62.4	-94	0	0	0	110.1	A35 F89 C90 R93	A35-Y40 PolarHBondContact O-N 2.74Å; Y40-F89 AromaticContact CD2-CD1 3.91Å; Y40-F89 HydrophobicContact CD2-CD1 3.91Å; Y40-F89 HydrophobicContact CE2-CD1 4.23Å; Y40-F89 HydrophobicContact CE2-CE1 4.47Å; Y40-C90 CarbonylContact C-O 3.52Å; Y40-C90 WeakPolarHBondContact CA-O 3.32Å; Y40-R93 HydrophobicContact CD1-CB 4.09Å
41	I	97.2	Very high	96.8	Very high	12 Å²	12	63 Å²	63	6%	0.062	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.5	168.3	-169.7	168.4	0	0	0	110.1	A35 E36 F63 M66 F89 C90	A35-I41 HydrophobicContact CB-CB 4.23Å; E36-I41 HydrophobicContact CG-CG2 3.98Å; I41-F63 HydrophobicContact CD1-CD1 4.44Å; I41-F63 HydrophobicContact CG1-CD1 4.21Å; I41-F63 HydrophobicContact CG2-CD1 4.23Å; I41-F63 HydrophobicContact CG2-CE1 4.26Å; I41-M66 HydrophobicContact CD1-CG 4.17Å; I41-F89 WeakPolarHBondContact O-CA 3.25Å; I41-C90 HydrophobicContact CG2-CB 3.96Å; I41-C90 PolarHBondContact N-O 3.37Å; I41-C90 PolarHBondContact O-N 2.95Å
42	R	97.4	Very high	96.9	Very high	141 Å²	141	62.2 Å²	62.2	53%	0.532	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	132.1	178.1	-173.1	-179.6	68.5	175	-4.4	110.6	F63 F87 I88 F89	R42-F63 WeakPolarHBondContact O-CD1 3.38Å; R42-F87 HydrophobicContact CG-CB 4.15Å; R42-F87 HydrophobicContact CG-CD1 3.62Å; R42-F87 HydrophobicContact CG-CE1 4.39Å; R42-F87 HydrophobicContact CG-CG 4.18Å; R42-I88 CarbonylContact C-O 3.46Å; R42-I88 WeakPolarHBondContact CA-O 3.4Å; R42-F89 HydrophobicContact CB-CD1 4.12Å; R42-F89 HydrophobicContact CB-CE1 4Å; R42-F89 HydrophobicContact CG-CD1 4.26Å; R42-F89 HydrophobicContact CG-CE1 3.82Å; R42-F89 HydrophobicContact CG-CZ 4.18Å
43	G	97.5	Very high	96.9	Very high	1 Å²	1	61 Å²	61	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	160.4	167.6	0	0	0	0	0	111.2	H62 F63 F87 I88	G43-H62 CarbonylContact C-O 3.37Å; G43-H62 WeakPolarHBondContact CA-O 3.1Å; G43-F63 VanDerWaalsContact CA-CD1 3.4Å; G43-F63 VanDerWaalsContact CA-CE1 3.46Å; G43-F87 CarbonylContact O-C 3.52Å; G43-F87 VanDerWaalsContact O-CA 3.31Å; G43-F87 WeakPolarHBondContact O-CA 3.32Å; G43-I88 PolarHBondContact N-O 2.7Å; G43-I88 PolarHBondContact O-N 2.62Å
44	V	98.1	Very high	96.9	Very high	46 Å²	46	62.6 Å²	62.6	28%	0.279	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.3	172.9	164.2	0	0	0	0	109.2	K46 V61 H62 Q86 F87	V44-K46 PolarHBondContact O-N 2.95Å; V44-K46 VanDerWaalsContact O-N 3.08Å; V44-V61 CarbonylContact O-C 3.55Å; V44-V61 WeakPolarHBondContact O-CA 3.43Å; V44-H62 PolarHBondContact N-O 2.81Å; V44-H62 PolarHBondContact O-N 2.67Å; V44-Q86 WeakPolarHBondContact CA-O 3.25Å; V44-F87 HydrophobicContact CG2-CD1 3.38Å; V44-F87 HydrophobicContact CG2-CE1 3.23Å; V44-F87 HydrophobicContact CG2-CG 4.5Å; V44-F87 HydrophobicContact CG2-CZ 4.25Å
45	V	98.2	Very high	96.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	102.7	166.5	-177.7	0	0	0	0	108.1	I48 A59 I60 V61 M82 H83 G85 Q86 I88	V45-I48 HydrophobicContact CG1-CD1 4.22Å; V45-I48 HydrophobicContact CG1-CG1 3.73Å; V45-A59 HydrophobicContact CG1-CB 4.42Å; V45-I60 CarbonylContact C-O 3.57Å; V45-V61 HydrophobicContact CG2-CG2 4.48Å; V45-M82 HydrophobicContact CG2-CE 3.54Å; V45-H83 WeakPolarHBondContact CB-O 3.14Å; V45-H83 WeakPolarHBondContact CG1-O 2.99Å; V45-G85 PolarHBondContact O-N 2.98Å; V45-Q86 HydrophobicContact CG2-CB 4.2Å; V45-Q86 PolarHBondContact N-O 2.86Å; V45-I88 HydrophobicContact CG2-CD1 3.59Å; V45-I88 HydrophobicContact CG2-CG1 3.88Å
46	K	98.1	Very high	97	Very high	139 Å²	139	57.2 Å²	57.2	60%	0.604	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	-36.6	178.9	-174.5	56.2	179.5	169.3	0	111.5	V44 I60	V44-K46 PolarHBondContact O-N 2.95Å; V44-K46 VanDerWaalsContact O-N 3.08Å; K46-I60 PolarHBondContact N-O 2.82Å
47	D	97.9	Very high	97.1	Very high	78 Å²	78	58.3 Å²	58.3	42%	0.417	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	155.5	-176.8	-161.4	2.3	0	0	0	110.9	I49 I60	D47-I49 HydrophobicContact CB-CG2 4.15Å; D47-I49 WeakPolarHBondContact OD2-CG2 3.34Å; D47-I60 HydrophobicContact CB-CB 4.32Å; D47-I60 HydrophobicContact CB-CG1 4.46Å; D47-I60 PolarHBondContact O-N 3.16Å
48	I	97.8	Very high	97.3	Very high	51 Å²	51	51.1 Å²	51.1	26%	0.262	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	110.4	172.4	-60.1	177.5	0	0	0	107.9	V45 P57 L58 A78 M82 T84	V45-I48 HydrophobicContact CG1-CD1 4.22Å; V45-I48 HydrophobicContact CG1-CG1 3.73Å; I48-P57 HydrophobicContact CG2-CB 3.85Å; I48-P57 HydrophobicContact CG2-CG 4.43Å; I48-L58 CarbonylContact C-O 3.6Å; I48-L58 WeakPolarHBondContact CA-O 3.44Å; I48-A78 HydrophobicContact CG2-CB 4.24Å; I48-M82 HydrophobicContact CD1-CB 4.25Å; I48-M82 WeakPolarHBondContact CD1-O 3.32Å; I48-T84 HydrophobicContact CG1-CG2 4.46Å
49	I	98	Very high	97.4	Very high	37 Å²	37	45 Å²	45	19%	0.19	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	154.6	-167.5	66.3	174	0	0	0	112.8	K24 D47 L58 I60	K24-I49 HydrophobicContact CB-CD1 3.81Å; K24-I49 HydrophobicContact CD-CD1 4.27Å; K24-I49 HydrophobicContact CG-CD1 3.8Å; D47-I49 HydrophobicContact CB-CG2 4.15Å; D47-I49 WeakPolarHBondContact OD2-CG2 3.34Å; I49-L58 HydrophobicContact CG1-CB 4.17Å; I49-L58 PolarHBondContact N-O 2.99Å; I49-L58 PolarHBondContact O-N 3.33Å; I49-I60 HydrophobicContact CD1-CD1 3.74Å; I49-I60 HydrophobicContact CD1-CG1 3.89Å; I49-I60 HydrophobicContact CG1-CD1 4.32Å; I49-I60 HydrophobicContact CG1-CG1 4.19Å; I49-I60 HydrophobicContact CG2-CG1 4.47Å
50	H	98.1	Very high	97.5	Very high	121 Å²	121	44.6 Å²	44.6	56%	0.56	22%	0.219	S	C	*	.			trans	-80.6	130.8	168.1	-175.8	67.3	0	0	0	111.5	R54	H50-R54 PolarHBondContact CE1-O 3.38Å
51	D	97.5	Very high	97.5	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.195	C	C	.	.			trans	-101.9	114.6	170.7	176.1	45.3	0	0	0	110.2	R23 K24 G53 R54 L58	R23-D51 VanDerWaalsContact CA-OD1 3.3Å; R23-D51 WeakPolarHBondContact CA-OD1 3.33Å; R23-D51 WeakPolarHBondContact CD-OD1 3.36Å; R23-D51 IonicContact CZ-OD2 3.88Å; R23-D51 IonicContact NH1-OD2 2.73Å; R23-D51 PolarHBondContact NH1-OD2 2.84Å; K24-D51 HydrophobicContact CG-CB 4.47Å; K24-D51 PolarHBondContact N-OD1 3.14Å; D51-G53 PolarHBondContact O-N 2.84Å; D51-R54 HydrophobicContact CB-CB 3.95Å; D51-R54 VanDerWaalsContact O-CB 3.27Å; D51-R54 WeakPolarHBondContact O-CB 3.37Å; D51-R54 PolarHBondContact O-N 3.03Å; D51-R54 IonicContact OD2-CZ 3.19Å; D51-R54 IonicContact OD2-NE 2.81Å; D51-R54 PolarHBondContact OD2-NE 3.38Å; D51-R54 VanDerWaalsContact OD2-NE 3.11Å; D51-R54 IonicContact OD2-NH2 2.63Å; D51-L58 HydrophobicContact CB-CD1 3.48Å; D51-L58 VanDerWaalsContact CB-CD1 3.48Å; D51-L58 HydrophobicContact CB-CG 3.9Å
52	P	96.7	Very high	97.6	Very high	34 Å²	34	40.8 Å²	40.8	22%	0.221	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	124.5	-179.5	-31.5	38.2	0	0	0	112.7	H22 R23 R54 P191	H22-P52 HydrophobicContact CB-CB 4.16Å; H22-P52 HydrophobicContact CB-CG 3.91Å; H22-P52 VanDerWaalsContact O-CD 3.32Å; H22-P52 WeakPolarHBondContact O-CD 3.47Å; H22-P52 WeakPolarHBondContact O-CG 3.46Å; R23-P52 VanDerWaalsContact CD-O 3.26Å; R23-P52 WeakPolarHBondContact CD-O 3.38Å; R23-P52 PolarHBondContact NE-O 2.92Å; R23-P52 PolarHBondContact NH1-O 3Å; R23-P52 VanDerWaalsContact NH1-O 3.14Å; R23-P52 PolarHBondContact NH2-O 3.04Å; P52-R54 VanDerWaalsContact C-N 3.33Å; P52-P191 HydrophobicContact CB-CB 4.23Å
53	G	95.5	Very high	97.6	Very high	16 Å²	16	34.2 Å²	34.2	17%	0.165	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	8.8	-179.1	0	0	0	0	0	114.7	R23 D51 K192	R23-G53 VanDerWaalsContact NH2-C 3.31Å; R23-G53 PolarHBondContact NH2-O 2.97Å; D51-G53 PolarHBondContact O-N 2.84Å; G53-K192 VanDerWaalsContact O-CE 3.28Å; G53-K192 WeakPolarHBondContact O-CE 3.47Å
54	R	96.5	Very high	97.5	Very high	58 Å²	58	42.8 Å²	42.8	22%	0.219	21%	0.213	C	C	.	.			trans	-104.1	149.4	163.1	-167.9	178.9	-71.1	-88.6	0.2	109.7	H50 D51 P52 A56	H50-R54 PolarHBondContact CE1-O 3.38Å; D51-R54 HydrophobicContact CB-CB 3.95Å; D51-R54 VanDerWaalsContact O-CB 3.27Å; D51-R54 WeakPolarHBondContact O-CB 3.37Å; D51-R54 PolarHBondContact O-N 3.03Å; D51-R54 IonicContact OD2-CZ 3.19Å; D51-R54 IonicContact OD2-NE 2.81Å; D51-R54 PolarHBondContact OD2-NE 3.38Å; D51-R54 VanDerWaalsContact OD2-NE 3.11Å; D51-R54 IonicContact OD2-NH2 2.63Å; P52-R54 VanDerWaalsContact C-N 3.33Å; R54-A56 WeakPolarHBondContact CD-O 3.46Å; R54-A56 HydrophobicContact CG-CB 4.36Å; R54-A56 WeakPolarHBondContact CG-O 3.2Å
55	G	96.1	Very high	97.4	Very high	29 Å²	29	41.4 Å²	41.4	30%	0.299	20%	0.204	S	C	.	.	S	Bend	trans	-87	-42.1	171.4	0	0	0	0	0	112.4
56	A	97.5	Very high	97	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.008	23%	0.229	C	C	.	.	S	Bend	trans	-77	141.9	177.7	0	0	0	0	0	111	R54 I77 V169	R54-A56 WeakPolarHBondContact CD-O 3.46Å; R54-A56 HydrophobicContact CG-CB 4.36Å; R54-A56 WeakPolarHBondContact CG-O 3.2Å; A56-I77 HydrophobicContact CB-CG2 4.49Å; A56-V169 HydrophobicContact CB-CG1 3.36Å
57	P	98.1	Very high	96.8	Very high	31 Å²	31	47.7 Å²	47.7	20%	0.201	23%	0.231	C	C	.	.			trans	-69.1	161.6	169.6	23.6	-22.5	0	0	0	111.5	I48 A78 A170	I48-P57 HydrophobicContact CG2-CB 3.85Å; I48-P57 HydrophobicContact CG2-CG 4.43Å; P57-A78 HydrophobicContact CB-CB 4.29Å; P57-A78 HydrophobicContact CG-CB 4Å; P57-A78 PolarHBondContact O-N 3.32Å; P57-A78 VanDerWaalsContact O-N 3.15Å; P57-A170 WeakPolarHBondContact CD-O 3.26Å; P57-A170 HydrophobicContact CG-CB 3.7Å
58	L	98.1	Very high	96.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.2	175.6	-62.8	-174.2	0	0	0	110	A27 I48 I49 D51 V75 M76 I77	A27-L58 HydrophobicContact CB-CD2 3.57Å; I48-L58 CarbonylContact C-O 3.6Å; I48-L58 WeakPolarHBondContact CA-O 3.44Å; I49-L58 HydrophobicContact CG1-CB 4.17Å; I49-L58 PolarHBondContact N-O 2.99Å; I49-L58 PolarHBondContact O-N 3.33Å; D51-L58 HydrophobicContact CB-CD1 3.48Å; D51-L58 VanDerWaalsContact CB-CD1 3.48Å; D51-L58 HydrophobicContact CB-CG 3.9Å; L58-V75 HydrophobicContact CB-CG1 3.99Å; L58-V75 HydrophobicContact CD1-CG1 3.54Å; L58-V75 HydrophobicContact CG-CG1 4.23Å; L58-M76 CarbonylContact C-O 3.48Å; L58-M76 VanDerWaalsContact CA-O 3.25Å; L58-M76 WeakPolarHBondContact CA-O 3.22Å; L58-M76 WeakPolarHBondContact CD2-O 3.31Å; L58-I77 HydrophobicContact CD2-CG1 4.43Å
59	A	98.1	Very high	96.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.7	170.5	0	0	0	0	0	109.4	V45 V61 M76 A78 M82	V45-A59 HydrophobicContact CG1-CB 4.42Å; A59-V61 HydrophobicContact CB-CG2 4.09Å; A59-M76 PolarHBondContact N-O 3.49Å; A59-M76 PolarHBondContact O-N 2.87Å; A59-A78 HydrophobicContact CB-CB 4.27Å; A59-M82 HydrophobicContact CB-CE 3.8Å
60	I	98.1	Very high	96.4	Very high	10 Å²	10	66.4 Å²	66.4	5%	0.051	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	108.3	169.1	-58.9	-56.1	0	0	0	107.6	V45 K46 D47 I49 K73 V75	V45-I60 CarbonylContact C-O 3.57Å; K46-I60 PolarHBondContact N-O 2.82Å; D47-I60 HydrophobicContact CB-CB 4.32Å; D47-I60 HydrophobicContact CB-CG1 4.46Å; D47-I60 PolarHBondContact O-N 3.16Å; I49-I60 HydrophobicContact CD1-CD1 3.74Å; I49-I60 HydrophobicContact CD1-CG1 3.89Å; I49-I60 HydrophobicContact CG1-CD1 4.32Å; I49-I60 HydrophobicContact CG1-CG1 4.19Å; I49-I60 HydrophobicContact CG2-CG1 4.47Å; I60-K73 HydrophobicContact CG2-CD 4Å; I60-K73 HydrophobicContact CG2-CG 3.87Å; I60-V75 HydrophobicContact CD1-CB 4.4Å; I60-V75 HydrophobicContact CD1-CG1 4.15Å; I60-V75 HydrophobicContact CD1-CG2 3.83Å
61	V	98	Very high	96.2	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.4	-175.3	-168.7	0	0	0	0	109.5	V44 V45 A59 F63 E74 M76 I88	V44-V61 CarbonylContact O-C 3.55Å; V44-V61 WeakPolarHBondContact O-CA 3.43Å; V45-V61 HydrophobicContact CG2-CG2 4.48Å; A59-V61 HydrophobicContact CB-CG2 4.09Å; V61-F63 HydrophobicContact CB-CD2 4.42Å; V61-F63 HydrophobicContact CB-CE2 3.72Å; V61-F63 HydrophobicContact CB-CZ 4.28Å; V61-F63 HydrophobicContact CG1-CD2 3.99Å; V61-F63 HydrophobicContact CG1-CE1 4.28Å; V61-F63 HydrophobicContact CG1-CE2 3.3Å; V61-F63 HydrophobicContact CG1-CZ 3.47Å; V61-F63 VanDerWaalsContact CG1-CZ 3.47Å; V61-E74 PolarHBondContact N-O 3.04Å; V61-E74 PolarHBondContact O-N 3.15Å; V61-M76 HydrophobicContact CB-SD 4.3Å; V61-M76 HydrophobicContact CG2-CB 4.34Å; V61-M76 HydrophobicContact CG2-CG 4.21Å; V61-M76 HydrophobicContact CG2-SD 3.84Å; V61-I88 HydrophobicContact CG1-CD1 4.05Å; V61-I88 HydrophobicContact CG2-CD1 3.66Å
62	H	97.9	Very high	96.1	Very high	62 Å²	62	73.6 Å²	73.6	29%	0.287	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.7	176.3	-73.7	-172.1	0	0	0	109.8	G43 V44	G43-H62 CarbonylContact C-O 3.37Å; G43-H62 WeakPolarHBondContact CA-O 3.1Å; V44-H62 PolarHBondContact N-O 2.81Å; V44-H62 PolarHBondContact O-N 2.67Å
63	F	97.6	Very high	96.1	Very high	4 Å²	4	78.3 Å²	78.3	2%	0.018	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	155.1	172.9	-64	-90.1	0	0	0	110.3	R30 I41 R42 G43 V61 K71 R72 E74 M76	R30-F63 HydrophobicContact CG-CD2 4.02Å; R30-F63 HydrophobicContact CG-CE2 3.8Å; R30-F63 HydrophobicContact CG-CZ 4.13Å; I41-F63 HydrophobicContact CD1-CD1 4.44Å; I41-F63 HydrophobicContact CG1-CD1 4.21Å; I41-F63 HydrophobicContact CG2-CD1 4.23Å; I41-F63 HydrophobicContact CG2-CE1 4.26Å; R42-F63 WeakPolarHBondContact O-CD1 3.38Å; G43-F63 VanDerWaalsContact CA-CD1 3.4Å; G43-F63 VanDerWaalsContact CA-CE1 3.46Å; V61-F63 HydrophobicContact CB-CD2 4.42Å; V61-F63 HydrophobicContact CB-CE2 3.72Å; V61-F63 HydrophobicContact CB-CZ 4.28Å; V61-F63 HydrophobicContact CG1-CD2 3.99Å; V61-F63 HydrophobicContact CG1-CE1 4.28Å; V61-F63 HydrophobicContact CG1-CE2 3.3Å; V61-F63 HydrophobicContact CG1-CZ 3.47Å; V61-F63 VanDerWaalsContact CG1-CZ 3.47Å; F63-K71 CarbonylContact O-C 3.19Å; F63-K71 WeakPolarHBondContact O-CA 3.48Å; F63-R72 PolarHBondContact N-O 2.8Å; F63-R72 PolarHBondContact O-N 3.04Å; F63-E74 HydrophobicContact CD2-CB 4.35Å; F63-E74 HydrophobicContact CD2-CG 4.12Å; F63-E74 HydrophobicContact CE2-CB 4.18Å; F63-E74 HydrophobicContact CE2-CG 4.26Å; F63-M76 HydrophobicContact CE2-CE 3.49Å; F63-M76 VanDerWaalsContact CE2-CE 3.49Å; F63-M76 HydrophobicContact CZ-CE 3.66Å
64	R	96.4	Very high	96.1	Very high	181 Å²	181	78.9 Å²	78.9	68%	0.683	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	138	164.7	-64	-177.4	70.5	158.8	-0.2	108.8
65	D	94.4	Very high	96.2	Very high	17 Å²	17	77 Å²	77	9%	0.091	33%	0.332	C	S	.	.			trans	-70.6	141.2	167.6	-166.6	-43.9	0	0	0	108.7	Y67 R68 K70 R72	D65-Y67 PolarHBondContact OD1-N 3.31Å; D65-R68 WeakPolarHBondContact CB-O 3.26Å; D65-R68 PolarHBondContact OD1-N 3.21Å; D65-K70 HydrophobicContact CB-CB 4.29Å; D65-K70 VanDerWaalsContact CB-O 3.31Å; D65-K70 WeakPolarHBondContact CB-O 3.45Å; D65-K70 PolarHBondContact N-O 3.16Å; D65-R72 HydrophobicContact CB-CG 4.25Å; D65-R72 IonicContact OD2-CZ 3.93Å; D65-R72 IonicContact OD2-NE 2.7Å; D65-R72 PolarHBondContact OD2-NE 3.03Å; D65-R72 IonicContact OD2-NH2 3.11Å; D65-R72 PolarHBondContact OD2-NH2 3.45Å
66	M	91.3	Very high	96.2	Very high	107 Å²	107	75.7 Å²	75.7	53%	0.527	32%	0.318	S	S	.	.	S	Bend	trans	-84.9	-23.2	-179.4	-71.7	-156.9	132	0	0	113.3	A35 I41	A35-M66 HydrophobicContact CB-CE 3.58Å; A35-M66 HydrophobicContact CB-SD 3.22Å; A35-M66 WeakPolarHBondContact CB-SD 3.32Å; I41-M66 HydrophobicContact CD1-CG 4.17Å
67	Y	92.7	Very high	96.2	Very high	163 Å²	163	75.6 Å²	75.6	64%	0.639	32%	0.318	S	S	*	.	S	Bend	trans	-105	-17	-172.7	-55.7	-72.7	0	0	0	112.6	D65	D65-Y67 PolarHBondContact OD1-N 3.31Å
68	R	94.1	Very high	96.2	Very high	196 Å²	196	74.2 Å²	74.2	74%	0.74	31%	0.309	S	S	*	.	S	Bend	trans	-142.8	153.9	-175.3	-61.9	-174.3	-177.4	-177.6	0.3	110.9	D65 K70	D65-R68 WeakPolarHBondContact CB-O 3.26Å; D65-R68 PolarHBondContact OD1-N 3.21Å; R68-K70 PolarHBondContact O-N 2.83Å
69	Y	95.3	Very high	96.2	Very high	223 Å²	223	74.4 Å²	74.4	88%	0.875	31%	0.31	S	S	*	.	S	Bend	trans	-73.4	77.9	170.7	-171.3	-106.3	0	0	0	110.8
70	K	95.6	Very high	96.1	Very high	140 Å²	140	79.5 Å²	79.5	61%	0.609	33%	0.334	S	S	*	.			trans	-147.5	146.7	-179.9	-177.7	174.6	179.4	174.9	0	111	D65 R68	D65-K70 HydrophobicContact CB-CB 4.29Å; D65-K70 VanDerWaalsContact CB-O 3.31Å; D65-K70 WeakPolarHBondContact CB-O 3.45Å; D65-K70 PolarHBondContact N-O 3.16Å; R68-K70 PolarHBondContact O-N 2.83Å
71	K	94.5	Very high	96	Very high	163 Å²	163	82 Å²	82	71%	0.709	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	128	166.3	-67.5	178.2	-176.4	171.1	0	109.6	F63	F63-K71 CarbonylContact O-C 3.19Å; F63-K71 WeakPolarHBondContact O-CA 3.48Å
72	R	95.3	Very high	96	Very high	111 Å²	111	82.8 Å²	82.8	42%	0.419	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.7	170	-68.9	-158.4	-178.3	-148.6	4.3	109.8	F63 D65	F63-R72 PolarHBondContact N-O 2.8Å; F63-R72 PolarHBondContact O-N 3.04Å; D65-R72 HydrophobicContact CB-CG 4.25Å; D65-R72 IonicContact OD2-CZ 3.93Å; D65-R72 IonicContact OD2-NE 2.7Å; D65-R72 PolarHBondContact OD2-NE 3.03Å; D65-R72 IonicContact OD2-NH2 3.11Å; D65-R72 PolarHBondContact OD2-NH2 3.45Å
73	K	96.1	Very high	95.9	Very high	133 Å²	133	85 Å²	85	58%	0.578	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	124.9	171.2	175.2	177.2	170.8	175.7	0	108.8	I60	I60-K73 HydrophobicContact CG2-CD 4Å; I60-K73 HydrophobicContact CG2-CG 3.87Å
74	E	97	Very high	96	Very high	28 Å²	28	88.7 Å²	88.7	13%	0.131	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.4	173.1	-67.3	-70.2	176.2	0	0	109.7	R30 V61 F63 M76 R123	R30-E74 HydrophobicContact CG-CG 3.79Å; V61-E74 PolarHBondContact N-O 3.04Å; V61-E74 PolarHBondContact O-N 3.15Å; F63-E74 HydrophobicContact CD2-CB 4.35Å; F63-E74 HydrophobicContact CD2-CG 4.12Å; F63-E74 HydrophobicContact CE2-CB 4.18Å; F63-E74 HydrophobicContact CE2-CG 4.26Å; E74-M76 HydrophobicContact CB-CE 4.05Å; E74-R123 IonicContact OE1-NH2 3.84Å; E74-R123 IonicContact OE2-NH2 2.93Å; E74-R123 PolarHBondContact OE2-NH2 3.49Å
75	V	97.5	Very high	96	Very high	19 Å²	19	82.3 Å²	82.3	12%	0.115	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	112.2	176.6	-174.5	0	0	0	0	107	A27 R28 L58 I60	A27-V75 CarbonylContact C-O 3.57Å; A27-V75 WeakPolarHBondContact CA-O 3.44Å; R28-V75 PolarHBondContact N-O 3.49Å; R28-V75 VanDerWaalsContact O-O 3.06Å; L58-V75 HydrophobicContact CB-CG1 3.99Å; L58-V75 HydrophobicContact CD1-CG1 3.54Å; L58-V75 HydrophobicContact CG-CG1 4.23Å; I60-V75 HydrophobicContact CD1-CB 4.4Å; I60-V75 HydrophobicContact CD1-CG1 4.15Å; I60-V75 HydrophobicContact CD1-CG2 3.83Å
76	M	97	Very high	96.2	Very high	0 Å²	0	83 Å²	83	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	161.9	-178.1	-64.1	-176	177.1	0	0	110.6	R30 L58 A59 V61 F63 E74 I101 M165	R30-M76 HydrophobicContact CG-CE 3.98Å; L58-M76 CarbonylContact C-O 3.48Å; L58-M76 VanDerWaalsContact CA-O 3.25Å; L58-M76 WeakPolarHBondContact CA-O 3.22Å; L58-M76 WeakPolarHBondContact CD2-O 3.31Å; A59-M76 PolarHBondContact N-O 3.49Å; A59-M76 PolarHBondContact O-N 2.87Å; V61-M76 HydrophobicContact CB-SD 4.3Å; V61-M76 HydrophobicContact CG2-CB 4.34Å; V61-M76 HydrophobicContact CG2-CG 4.21Å; V61-M76 HydrophobicContact CG2-SD 3.84Å; F63-M76 HydrophobicContact CE2-CE 3.49Å; F63-M76 VanDerWaalsContact CE2-CE 3.49Å; F63-M76 HydrophobicContact CZ-CE 3.66Å; E74-M76 HydrophobicContact CB-CE 4.05Å; M76-I101 HydrophobicContact CE-CD1 4.07Å; M76-I101 HydrophobicContact SD-CD1 3.78Å; M76-M165 HydrophobicContact CB-CE 4.49Å; M76-M165 HydrophobicContact SD-CE 4.45Å
77	I	97.9	Very high	96.5	Very high	0 Å²	0	82.5 Å²	82.5	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	134.4	166.4	-67	176.5	0	0	0	107.1	A27 A56 L58 N115 R128 V169	A27-I77 HydrophobicContact CB-CG1 3.9Å; A56-I77 HydrophobicContact CB-CG2 4.49Å; L58-I77 HydrophobicContact CD2-CG1 4.43Å; I77-N115 HydrophobicContact CD1-CB 4.33Å; I77-R128 HydrophobicContact CD1-CB 3.57Å; I77-R128 HydrophobicContact CD1-CG 3.9Å; I77-V169 HydrophobicContact CG2-CB 4.35Å; I77-V169 HydrophobicContact CG2-CG1 3.56Å; I77-V169 HydrophobicContact CG2-CG2 4.05Å
78	A	97.8	Very high	96.7	Very high	2 Å²	2	74.7 Å²	74.7	2%	0.017	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-76.1	129.1	174.1	0	0	0	0	0	110.2	I48 P57 A59 A170	I48-A78 HydrophobicContact CG2-CB 4.24Å; P57-A78 HydrophobicContact CB-CB 4.29Å; P57-A78 HydrophobicContact CG-CB 4Å; P57-A78 PolarHBondContact O-N 3.32Å; P57-A78 VanDerWaalsContact O-N 3.15Å; A59-A78 HydrophobicContact CB-CB 4.27Å; A78-A170 HydrophobicContact CB-CB 4.36Å; A78-A170 WeakPolarHBondContact O-CB 3.39Å; A78-A170 PolarHBondContact O-N 3.43Å
79	C	97.3	Very high	96.9	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.02	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-78.6	148.6	165.5	-166.8	0	0	0	0	109.3	M82 M165 I166 G167 I168	C79-M82 HydrophobicContact CB-CG 3.82Å; C79-M82 HydrophobicContact CB-SD 3.55Å; C79-M82 VanDerWaalsContact CB-SD 3.55Å; C79-M82 PolarHBondContact N-SD 2.82Å; C79-M82 WeakPolarHBondContact O-CB 3.34Å; C79-M82 WeakPolarHBondContact O-CG 3.28Å; C79-M82 PolarHBondContact O-N 2.82Å; C79-M165 HydrophobicContact CB-CG 4.36Å; C79-M165 HydrophobicContact CB-SD 3.77Å; C79-I166 PolarHBondContact SG-O 3.45Å; C79-G167 WeakPolarHBondContact SG-CA 3.14Å; C79-I168 CarbonylContact C-O 3.56Å; C79-I168 VanDerWaalsContact CA-O 3.32Å; C79-I168 WeakPolarHBondContact CA-O 3.32Å; C79-I168 PolarHBondContact SG-N 2.85Å; C79-I168 VanDerWaalsContact SG-N 3.38Å; C79-I168 PolarHBondContact SG-O 2.79Å
80	E	97.6	Very high	97	Very high	107 Å²	107	57.8 Å²	57.8	50%	0.5	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	137.7	172.6	-169.9	165.5	-177.2	0	0	110.3	M82 I98 I168 A170	E80-M82 VanDerWaalsContact C-N 3.29Å; E80-M82 PolarHBondContact O-N 3.34Å; E80-I98 VanDerWaalsContact O-CG2 3.28Å; E80-I98 WeakPolarHBondContact O-CG2 3.4Å; E80-I168 PolarHBondContact N-O 3.37Å; E80-A170 HydrophobicContact CB-CB 4.44Å
81	G	95.5	Very high	97.1	Very high	63 Å²	63	51.2 Å²	51.2	65%	0.649	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-6.8	-173.4	0	0	0	0	0	115.3
82	M	96.5	Very high	97.2	Very high	17 Å²	17	49.1 Å²	49.1	8%	0.084	25%	0.253	C	S	.	.			trans	-68.7	141.6	172	-71.4	179.8	61.3	0	0	112	V45 I48 A59 C79 E80 I88 M165	V45-M82 HydrophobicContact CG2-CE 3.54Å; I48-M82 HydrophobicContact CD1-CB 4.25Å; I48-M82 WeakPolarHBondContact CD1-O 3.32Å; A59-M82 HydrophobicContact CB-CE 3.8Å; C79-M82 HydrophobicContact CB-CG 3.82Å; C79-M82 HydrophobicContact CB-SD 3.55Å; C79-M82 VanDerWaalsContact CB-SD 3.55Å; C79-M82 PolarHBondContact N-SD 2.82Å; C79-M82 WeakPolarHBondContact O-CB 3.34Å; C79-M82 WeakPolarHBondContact O-CG 3.28Å; C79-M82 PolarHBondContact O-N 2.82Å; E80-M82 VanDerWaalsContact C-N 3.29Å; E80-M82 PolarHBondContact O-N 3.34Å; M82-I88 HydrophobicContact CE-CD1 3.32Å; M82-I88 HydrophobicContact CE-CG1 4.11Å; M82-M165 HydrophobicContact SD-SD 4.38Å
83	H	97.8	Very high	97.2	Very high	109 Å²	109	53.1 Å²	53.1	51%	0.505	27%	0.268	S	S	.	.			trans	-133.6	161.5	179	63.5	86.3	0	0	0	112.6	V45 Q86	V45-H83 WeakPolarHBondContact CB-O 3.14Å; V45-H83 WeakPolarHBondContact CG1-O 2.99Å; H83-Q86 WeakPolarHBondContact O-CB 3.44Å; H83-Q86 PolarHBondContact O-N 3.05Å
84	T	98	Very high	97.3	Very high	81 Å²	81	47.2 Å²	47.2	50%	0.497	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	142.2	174.2	50.5	0	0	0	0	110.9	I48 Q86	I48-T84 HydrophobicContact CG1-CG2 4.46Å; T84-Q86 PolarHBondContact O-N 3.28Å
85	G	97.6	Very high	97.2	Very high	47 Å²	47	47.9 Å²	47.9	49%	0.485	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-13.7	-174	0	0	0	0	0	114.4	V45	V45-G85 PolarHBondContact O-N 2.98Å
86	Q	97.8	Very high	97.2	Very high	31 Å²	31	50.6 Å²	50.6	15%	0.145	28%	0.275	C	S	.	.			trans	-61.2	138.2	179.5	-168	-172.9	-1.2	0	0	111.6	V44 V45 H83 T84 I98	V44-Q86 WeakPolarHBondContact CA-O 3.25Å; V45-Q86 HydrophobicContact CG2-CB 4.2Å; V45-Q86 PolarHBondContact N-O 2.86Å; H83-Q86 WeakPolarHBondContact O-CB 3.44Å; H83-Q86 PolarHBondContact O-N 3.05Å; T84-Q86 PolarHBondContact O-N 3.28Å; Q86-I98 PolarHBondContact NE2-O 2.78Å
87	F	97.9	Very high	97.2	Very high	96 Å²	96	54.1 Å²	54.1	42%	0.421	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	128.9	167.8	-67	-66.2	0	0	0	110.9	R42 G43 V44 F89	R42-F87 HydrophobicContact CG-CB 4.15Å; R42-F87 HydrophobicContact CG-CD1 3.62Å; R42-F87 HydrophobicContact CG-CE1 4.39Å; R42-F87 HydrophobicContact CG-CG 4.18Å; G43-F87 CarbonylContact O-C 3.52Å; G43-F87 VanDerWaalsContact O-CA 3.31Å; G43-F87 WeakPolarHBondContact O-CA 3.32Å; V44-F87 HydrophobicContact CG2-CD1 3.38Å; V44-F87 HydrophobicContact CG2-CE1 3.23Å; V44-F87 HydrophobicContact CG2-CG 4.5Å; V44-F87 HydrophobicContact CG2-CZ 4.25Å; F87-F89 HydrophobicContact CB-CE2 3.9Å; F87-F89 HydrophobicContact CB-CZ 4.1Å
88	I	97.4	Very high	97.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.2	170.5	-58.4	175.3	0	0	0	108.3	R42 G43 V45 V61 M82 G99	R42-I88 CarbonylContact C-O 3.46Å; R42-I88 WeakPolarHBondContact CA-O 3.4Å; G43-I88 PolarHBondContact N-O 2.7Å; G43-I88 PolarHBondContact O-N 2.62Å; V45-I88 HydrophobicContact CG2-CD1 3.59Å; V45-I88 HydrophobicContact CG2-CG1 3.88Å; V61-I88 HydrophobicContact CG1-CD1 4.05Å; V61-I88 HydrophobicContact CG2-CD1 3.66Å; M82-I88 HydrophobicContact CE-CD1 3.32Å; M82-I88 HydrophobicContact CE-CG1 4.11Å; I88-G99 WeakPolarHBondContact CG2-O 3.48Å
89	F	98.1	Very high	97.1	Very high	63 Å²	63	58.5 Å²	58.5	28%	0.276	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127	173.6	-56.7	-93.4	0	0	0	109.8	Y40 I41 R42 F87 A94 N100 I101	Y40-F89 AromaticContact CD2-CD1 3.91Å; Y40-F89 HydrophobicContact CD2-CD1 3.91Å; Y40-F89 HydrophobicContact CE2-CD1 4.23Å; Y40-F89 HydrophobicContact CE2-CE1 4.47Å; I41-F89 WeakPolarHBondContact O-CA 3.25Å; R42-F89 HydrophobicContact CB-CD1 4.12Å; R42-F89 HydrophobicContact CB-CE1 4Å; R42-F89 HydrophobicContact CG-CD1 4.26Å; R42-F89 HydrophobicContact CG-CE1 3.82Å; R42-F89 HydrophobicContact CG-CZ 4.18Å; F87-F89 HydrophobicContact CB-CE2 3.9Å; F87-F89 HydrophobicContact CB-CZ 4.1Å; F89-A94 HydrophobicContact CB-CB 3.71Å; F89-N100 PolarHBondContact N-OD1 3.05Å; F89-N100 WeakPolarHBondContact O-CA 3.35Å; F89-N100 WeakPolarHBondContact O-CB 3.46Å; F89-I101 PolarHBondContact O-N 3.24Å
90	C	97.6	Very high	97.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.2	178.6	-53.7	0	0	0	0	109.2	E36 Y40 I41 I101	E36-C90 HydrophobicContact CG-CB 3.99Å; Y40-C90 CarbonylContact C-O 3.52Å; Y40-C90 WeakPolarHBondContact CA-O 3.32Å; I41-C90 HydrophobicContact CG2-CB 3.96Å; I41-C90 PolarHBondContact N-O 3.37Å; I41-C90 PolarHBondContact O-N 2.95Å; C90-I101 CarbonylContact C-O 3.58Å; C90-I101 WeakPolarHBondContact CA-O 3.24Å; C90-I101 HydrophobicContact CB-CB 4.2Å
91	G	97	Very high	97.1	Very high	2 Å²	2	53.4 Å²	53.4	2%	0.021	30%	0.295	C	S	.	.	S	Bend	trans	141.5	177.6	171.2	0	0	0	0	0	114.3	E36 G39 R93 A94 I101	E36-G91 CarbonylContact O-C 3.59Å; E36-G91 VanDerWaalsContact O-CA 3.25Å; E36-G91 WeakPolarHBondContact O-CA 3.4Å; G39-G91 CarbonylContact O-C 3.55Å; G39-G91 WeakPolarHBondContact O-CA 3.28Å; G91-R93 VanDerWaalsContact C-N 3.32Å; G91-R93 PolarHBondContact O-N 2.82Å; G91-A94 WeakPolarHBondContact O-CB 3.21Å; G91-A94 PolarHBondContact O-N 3.02Å; G91-I101 PolarHBondContact N-O 3.18Å
92	R	96.4	Very high	97.2	Very high	119 Å²	119	50.5 Å²	50.5	45%	0.449	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-35.3	-177.8	-173.9	176.1	175.1	-174.4	-3.1	113.8	E36 G39 P103 Q106	E36-R92 PolarHBondContact O-N 2.98Å; G39-R92 PolarHBondContact O-N 3.46Å; R92-P103 HydrophobicContact CB-CG 4.21Å; R92-P103 HydrophobicContact CG-CG 4.22Å; R92-Q106 HydrophobicContact CG-CG 3.99Å
93	R	96.6	Very high	97.3	Very high	195 Å²	195	50.3 Å²	50.3	74%	0.736	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	12	-178.8	-65.4	-173.4	176.7	-177.2	-2.6	113.4	G39 Y40 G91	G39-R93 PolarHBondContact O-N 2.86Å; Y40-R93 HydrophobicContact CD1-CB 4.09Å; G91-R93 VanDerWaalsContact C-N 3.32Å; G91-R93 PolarHBondContact O-N 2.82Å
94	A	96.9	Very high	97.3	Very high	9 Å²	9	45.1 Å²	45.1	7%	0.074	24%	0.24	C	C	.	.			trans	-70.5	147.9	175.3	0	0	0	0	0	110.2	F89 G91 L102	F89-A94 HydrophobicContact CB-CB 3.71Å; G91-A94 WeakPolarHBondContact O-CB 3.21Å; G91-A94 PolarHBondContact O-N 3.02Å; A94-L102 HydrophobicContact CB-CD1 4.39Å; A94-L102 HydrophobicContact CB-CG 4.12Å; A94-L102 WeakPolarHBondContact O-CD2 3.18Å
95	G	95.9	Very high	97.2	Very high	43 Å²	43	44.1 Å²	44.1	44%	0.443	23%	0.232	S	C	.	.			trans	-72.9	154.7	176.9	0	0	0	0	0	112.8	T97 N100	G95-T97 PolarHBondContact O-N 3.12Å; G95-N100 PolarHBondContact O-ND2 3.31Å
96	V	96.5	Very high	97.1	Very high	76 Å²	76	45.5 Å²	45.5	46%	0.461	23%	0.226	S	C	.	.	S	Bend	trans	-78.9	81.4	179.7	-174.2	0	0	0	0	109.9	L102 I166	V96-L102 HydrophobicContact CG2-CD2 4.23Å; V96-I166 VanDerWaalsContact CA-CD1 3.49Å; V96-I166 HydrophobicContact CB-CD1 4.04Å; V96-I166 HydrophobicContact CG1-CD1 3.58Å
97	T	96.8	Very high	97.1	Very high	74 Å²	74	44.2 Å²	44.2	45%	0.454	22%	0.22	S	C	.	.			trans	-132.9	156.8	178	63.6	0	0	0	0	111	G95 G99 N100 I166	G95-T97 PolarHBondContact O-N 3.12Å; T97-G99 PolarHBondContact O-N 3.18Å; T97-N100 WeakPolarHBondContact O-CB 3.04Å; T97-N100 PolarHBondContact O-N 3.47Å; T97-N100 VanDerWaalsContact O-N 3.11Å; T97-N100 PolarHBondContact OG1-ND2 3.23Å; T97-I166 WeakPolarHBondContact O-CB 3.28Å
98	I	96.7	Very high	97	Very high	93 Å²	93	43.2 Å²	43.2	48%	0.477	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	129.6	-176.6	-63.2	172.6	0	0	0	110.6	E80 Q86 N100	E80-I98 VanDerWaalsContact O-CG2 3.28Å; E80-I98 WeakPolarHBondContact O-CG2 3.4Å; Q86-I98 PolarHBondContact NE2-O 2.78Å; I98-N100 VanDerWaalsContact C-N 3.31Å; I98-N100 PolarHBondContact O-N 2.74Å
99	G	96.7	Very high	97	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	-17.3	-179.2	0	0	0	0	0	114.7	I88 T97 I166	I88-G99 WeakPolarHBondContact CG2-O 3.48Å; T97-G99 PolarHBondContact O-N 3.18Å; G99-I166 PolarHBondContact N-O 3.2Å
100	N	97.8	Very high	97	Very high	2 Å²	2	48 Å²	48	1%	0.011	26%	0.26	C	S	.	.			trans	-67.3	152	174.1	-76.6	-2.8	0	0	0	111.7	F89 G95 T97 I98 L102 M165 I166	F89-N100 PolarHBondContact N-OD1 3.05Å; F89-N100 WeakPolarHBondContact O-CA 3.35Å; F89-N100 WeakPolarHBondContact O-CB 3.46Å; G95-N100 PolarHBondContact O-ND2 3.31Å; T97-N100 WeakPolarHBondContact O-CB 3.04Å; T97-N100 PolarHBondContact O-N 3.47Å; T97-N100 VanDerWaalsContact O-N 3.11Å; T97-N100 PolarHBondContact OG1-ND2 3.23Å; I98-N100 VanDerWaalsContact C-N 3.31Å; I98-N100 PolarHBondContact O-N 2.74Å; N100-L102 HydrophobicContact CB-CD1 3.82Å; N100-M165 CarbonylContact O-C 3.39Å; N100-M165 WeakPolarHBondContact O-CA 3.3Å; N100-I166 PolarHBondContact O-N 2.84Å
101	I	98.2	Very high	97	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	114.6	-177.6	-60.9	164.8	0	0	0	108.8	F29 M76 F89 C90 G91 R163 A164 M165	F29-I101 HydrophobicContact CD1-CD1 3.37Å; F29-I101 HydrophobicContact CD1-CG1 4.1Å; F29-I101 HydrophobicContact CD1-CG2 4.35Å; F29-I101 HydrophobicContact CD2-CG2 4.49Å; F29-I101 HydrophobicContact CE1-CD1 3.53Å; F29-I101 HydrophobicContact CE1-CG1 3.78Å; F29-I101 HydrophobicContact CE1-CG2 4.23Å; F29-I101 HydrophobicContact CE2-CG2 4.38Å; F29-I101 HydrophobicContact CG-CD1 4.27Å; F29-I101 HydrophobicContact CG-CG2 4.48Å; F29-I101 HydrophobicContact CZ-CG1 4.41Å; F29-I101 HydrophobicContact CZ-CG2 4.24Å; M76-I101 HydrophobicContact CE-CD1 4.07Å; M76-I101 HydrophobicContact SD-CD1 3.78Å; F89-I101 PolarHBondContact O-N 3.24Å; C90-I101 CarbonylContact C-O 3.58Å; C90-I101 WeakPolarHBondContact CA-O 3.24Å; C90-I101 HydrophobicContact CB-CB 4.2Å; G91-I101 PolarHBondContact N-O 3.18Å; I101-R163 HydrophobicContact CG2-CB 3.94Å; I101-R163 HydrophobicContact CG2-CG 4.43Å; I101-A164 VanDerWaalsContact CA-O 3.28Å; I101-A164 WeakPolarHBondContact CA-O 3.25Å; I101-M165 HydrophobicContact CD1-CE 3.94Å; I101-M165 HydrophobicContact CG1-CB 4.13Å; I101-M165 HydrophobicContact CG1-CE 4.02Å; I101-M165 HydrophobicContact CG1-CG 4.42Å
102	L	97.8	Very high	97	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	158.4	179.2	-60.5	79.7	0	0	0	109.9	A94 V96 N100 Q106 M107 R163 A164 I166	A94-L102 HydrophobicContact CB-CD1 4.39Å; A94-L102 HydrophobicContact CB-CG 4.12Å; A94-L102 WeakPolarHBondContact O-CD2 3.18Å; V96-L102 HydrophobicContact CG2-CD2 4.23Å; N100-L102 HydrophobicContact CB-CD1 3.82Å; L102-Q106 HydrophobicContact CB-CB 4.5Å; L102-Q106 HydrophobicContact CD2-CB 4.11Å; L102-M107 HydrophobicContact CB-CE 3.61Å; L102-M107 HydrophobicContact CB-CG 4.27Å; L102-M107 HydrophobicContact CD1-CE 4.15Å; L102-M107 HydrophobicContact CG-CE 4.45Å; L102-M107 WeakPolarHBondContact O-CE 3.49Å; L102-R163 CarbonylContact O-C 3.48Å; L102-R163 WeakPolarHBondContact O-CA 3.15Å; L102-A164 PolarHBondContact N-O 3.13Å; L102-A164 PolarHBondContact O-N 2.85Å; L102-I166 HydrophobicContact CD1-CD1 3.44Å; L102-I166 VanDerWaalsContact CD1-CD1 3.44Å; L102-I166 HydrophobicContact CD1-CG1 4.1Å
103	P	97.7	Very high	97.1	Very high	13 Å²	13	45.4 Å²	45.4	8%	0.084	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	146	161.5	28.7	-33.5	0	0	0	110.5	R92 N105 Q106 N162	R92-P103 HydrophobicContact CB-CG 4.21Å; R92-P103 HydrophobicContact CG-CG 4.22Å; P103-N105 WeakPolarHBondContact CB-OD1 3.43Å; P103-N105 PolarHBondContact O-N 2.94Å; P103-Q106 HydrophobicContact CG-CB 4.32Å; P103-Q106 HydrophobicContact CG-CG 3.67Å; P103-Q106 PolarHBondContact O-N 2.89Å; P103-N162 CarbonylContact C-O 3.56Å; P103-N162 VanDerWaalsContact CA-O 3.3Å; P103-N162 WeakPolarHBondContact CA-O 3.34Å
104	L	97.6	Very high	97.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-55.7	-37.2	-173	-75	171.2	0	0	0	113.3	Q106 M107 V116 I136 H139 T146 I148 V158 S160 N162 A164	L104-Q106 PolarHBondContact O-N 2.97Å; L104-M107 PolarHBondContact O-N 3.3Å; L104-V116 HydrophobicContact CD1-CG1 4Å; L104-V116 HydrophobicContact CD2-CG1 4.27Å; L104-V116 HydrophobicContact CG-CG1 4.5Å; L104-I136 HydrophobicContact CD2-CD1 3.83Å; L104-I136 HydrophobicContact CD2-CG1 4.13Å; L104-H139 PolarHBondContact O-CE1 3.1Å; L104-T146 HydrophobicContact CB-CG2 4.19Å; L104-T146 HydrophobicContact CD1-CG2 4.4Å; L104-I148 HydrophobicContact CD1-CG2 4.26Å; L104-I148 HydrophobicContact CD2-CG2 4.46Å; L104-V158 HydrophobicContact CD1-CG2 3.34Å; L104-S160 PolarHBondContact N-O 3Å; L104-N162 HydrophobicContact CD1-CB 4.03Å; L104-N162 WeakPolarHBondContact CG-O 3.27Å; L104-N162 PolarHBondContact N-O 3.29Å; L104-A164 HydrophobicContact CD2-CB 3.67Å; L104-A164 HydrophobicContact CG-CB 4.38Å
105	N	96	Very high	97.2	Very high	61 Å²	61	35.7 Å²	35.7	33%	0.326	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-70.7	-5.8	-180	70.7	-34	0	0	0	116	P103 S160	P103-N105 WeakPolarHBondContact CB-OD1 3.43Å; P103-N105 PolarHBondContact O-N 2.94Å; N105-S160 PolarHBondContact N-O 3.12Å; N105-S160 VanDerWaalsContact N-O 3.13Å; N105-S160 PolarHBondContact OD1-O 2.89Å
106	Q	96.5	Very high	97.3	Very high	75 Å²	75	33.7 Å²	33.7	35%	0.35	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-99.6	-2	174.9	-59.6	-63.2	-78.2	0	0	111.8	R92 L102 P103 L104	R92-Q106 HydrophobicContact CG-CG 3.99Å; L102-Q106 HydrophobicContact CB-CB 4.5Å; L102-Q106 HydrophobicContact CD2-CB 4.11Å; P103-Q106 HydrophobicContact CG-CB 4.32Å; P103-Q106 HydrophobicContact CG-CG 3.67Å; P103-Q106 PolarHBondContact O-N 2.89Å; L104-Q106 PolarHBondContact O-N 2.97Å
107	M	96.9	Very high	97.4	Very high	5 Å²	5	30 Å²	30	3%	0.025	18%	0.175	C	C	.	.	S	Bend	trans	-100.6	142.6	175.9	-58.5	-179	-172.3	0	0	108.8	L102 L104 T111 V113 I136 H139 A164 I166	L102-M107 HydrophobicContact CB-CE 3.61Å; L102-M107 HydrophobicContact CB-CG 4.27Å; L102-M107 HydrophobicContact CD1-CE 4.15Å; L102-M107 HydrophobicContact CG-CE 4.45Å; L102-M107 WeakPolarHBondContact O-CE 3.49Å; L104-M107 PolarHBondContact O-N 3.3Å; M107-T111 HydrophobicContact CB-CG2 4.38Å; M107-T111 HydrophobicContact SD-CG2 4.38Å; M107-V113 HydrophobicContact CE-CG1 4.27Å; M107-V113 HydrophobicContact SD-CG1 3.35Å; M107-V113 WeakPolarHBondContact SD-CG1 3.37Å; M107-I136 HydrophobicContact CB-CD1 3.53Å; M107-I136 HydrophobicContact CG-CD1 4.27Å; M107-I136 HydrophobicContact SD-CD1 3.83Å; M107-H139 PolarHBondContact O-NE2 3.33Å; M107-A164 HydrophobicContact CE-CB 3.89Å; M107-A164 WeakPolarHBondContact CE-O 3.36Å; M107-A164 HydrophobicContact SD-CB 4.45Å; M107-I166 HydrophobicContact CE-CD1 4.41Å; M107-I166 HydrophobicContact CE-CG1 3.73Å; M107-I166 HydrophobicContact SD-CG1 3.95Å
108	P	97	Very high	97.4	Very high	75 Å²	75	30 Å²	30	49%	0.487	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-70.1	159.6	176.4	25.2	-29.3	0	0	0	112	T111	P108-T111 VanDerWaalsContact CD-OG1 3.26Å; P108-T111 WeakPolarHBondContact CD-OG1 3.35Å; P108-T111 VanDerWaalsContact CG-OG1 3.31Å; P108-T111 WeakPolarHBondContact CG-OG1 3.25Å; P108-T111 VanDerWaalsContact O-CB 3.25Å; P108-T111 WeakPolarHBondContact O-CB 3.41Å; P108-T111 PolarHBondContact O-N 2.65Å; P108-T111 PolarHBondContact O-OG1 2.93Å
109	E	97.2	Very high	97.4	Very high	114 Å²	114	33 Å²	33	53%	0.533	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	148.4	172.6	-60.4	-176.3	169.2	0	0	110.7	T111 A138 H139	E109-T111 PolarHBondContact O-N 2.89Å; E109-A138 VanDerWaalsContact OE1-CA 3.24Å; E109-A138 WeakPolarHBondContact OE1-CA 3.42Å; E109-H139 IonicContact OE1-CD2 3Å; E109-H139 PolarHBondContact OE1-N 3.33Å
110	G	96.9	Very high	97.4	Very high	49 Å²	49	36.1 Å²	36.1	51%	0.505	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-13.1	-172.7	0	0	0	0	0	114.8	V112 I136	G110-V112 PolarHBondContact O-N 3.11Å; G110-I136 WeakPolarHBondContact CA-O 3.21Å; G110-I136 PolarHBondContact N-O 2.88Å
111	T	97.7	Very high	97.3	Very high	19 Å²	19	37.4 Å²	37.4	12%	0.117	21%	0.212	C	C	.	.			trans	-58	133.6	178.7	-55.5	0	0	0	0	111.3	M107 P108 E109 V113 I136 I166	M107-T111 HydrophobicContact CB-CG2 4.38Å; M107-T111 HydrophobicContact SD-CG2 4.38Å; P108-T111 VanDerWaalsContact CD-OG1 3.26Å; P108-T111 WeakPolarHBondContact CD-OG1 3.35Å; P108-T111 VanDerWaalsContact CG-OG1 3.31Å; P108-T111 WeakPolarHBondContact CG-OG1 3.25Å; P108-T111 VanDerWaalsContact O-CB 3.25Å; P108-T111 WeakPolarHBondContact O-CB 3.41Å; P108-T111 PolarHBondContact O-N 2.65Å; P108-T111 PolarHBondContact O-OG1 2.93Å; E109-T111 PolarHBondContact O-N 2.89Å; T111-V113 HydrophobicContact CG2-CG1 4.04Å; T111-I136 PolarHBondContact O-N 2.93Å; T111-I166 HydrophobicContact CG2-CG2 4.44Å
112	V	98	Very high	97.2	Very high	48 Å²	48	40.1 Å²	40.1	29%	0.291	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	127.4	174.6	-178.1	0	0	0	0	109.1	G110 Y133 G167 I168	G110-V112 PolarHBondContact O-N 3.11Å; V112-Y133 VanDerWaalsContact CG1-CB 3.47Å; V112-Y133 HydrophobicContact CG1-CD2 3.71Å; V112-Y133 HydrophobicContact CG1-CG 3.69Å; V112-G167 PolarHBondContact O-N 3.26Å; V112-I168 HydrophobicContact CG1-CD1 4.37Å; V112-I168 HydrophobicContact CG1-CG1 3.59Å
113	V	98.1	Very high	97.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.9	-174.5	-62.8	0	0	0	0	112.5	M107 T111 V116 Y133 A134 I136 A164 M165 G167	M107-V113 HydrophobicContact CE-CG1 4.27Å; M107-V113 HydrophobicContact SD-CG1 3.35Å; M107-V113 WeakPolarHBondContact SD-CG1 3.37Å; T111-V113 HydrophobicContact CG2-CG1 4.04Å; V113-V116 HydrophobicContact CB-CG2 4.26Å; V113-V116 HydrophobicContact CG2-CG2 3.54Å; V113-Y133 CarbonylContact O-C 3.43Å; V113-Y133 WeakPolarHBondContact O-CA 3.49Å; V113-A134 HydrophobicContact CG2-CB 4.07Å; V113-A134 WeakPolarHBondContact CG2-O 3.24Å; V113-A134 PolarHBondContact N-O 3.33Å; V113-A134 PolarHBondContact O-N 3.4Å; V113-I136 HydrophobicContact CG1-CD1 4.04Å; V113-I136 HydrophobicContact CG1-CG1 4.28Å; V113-I136 HydrophobicContact CG2-CG1 4.28Å; V113-A164 HydrophobicContact CB-CB 3.96Å; V113-A164 HydrophobicContact CG1-CB 4.19Å; V113-A164 HydrophobicContact CG2-CB 4.3Å; V113-M165 CarbonylContact C-O 3.5Å; V113-M165 VanDerWaalsContact CA-O 3.25Å; V113-M165 WeakPolarHBondContact CA-O 3.19Å; V113-G167 CarbonylContact C-O 3.53Å; V113-G167 WeakPolarHBondContact CA-O 3.24Å
114	C	97.9	Very high	97.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	166.8	174.5	64.8	0	0	0	0	112.4	V116 M165 G167 V169	C114-V116 PolarHBondContact O-N 2.72Å; C114-V116 VanDerWaalsContact O-N 3.12Å; C114-M165 PolarHBondContact N-O 2.78Å; C114-M165 PolarHBondContact O-N 2.83Å; C114-G167 WeakPolarHBondContact CB-O 3.33Å; C114-G167 PolarHBondContact N-O 2.91Å; C114-G167 PolarHBondContact SG-O 2.91Å; C114-V169 HydrophobicContact CB-CG2 3.52Å
115	N	97.7	Very high	97.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	51.9	34.1	179.7	-162.3	45.5	0	0	0	114.8	F29 I77 G124 L126 A127 R128	F29-N115 WeakPolarHBondContact CD1-ND2 3.16Å; F29-N115 HydrophobicContact CE1-CB 4.07Å; F29-N115 WeakPolarHBondContact CE1-ND2 3.03Å; F29-N115 WeakPolarHBondContact CE2-O 3.3Å; F29-N115 HydrophobicContact CZ-CB 3.73Å; F29-N115 VanDerWaalsContact CZ-ND2 3.25Å; F29-N115 WeakPolarHBondContact CZ-ND2 3.46Å; F29-N115 WeakPolarHBondContact CZ-O 3.15Å; I77-N115 HydrophobicContact CD1-CB 4.33Å; N115-G124 VanDerWaalsContact O-CA 3.27Å; N115-G124 WeakPolarHBondContact O-CA 3.27Å; N115-L126 CarbonylContact C-O 3.53Å; N115-L126 WeakPolarHBondContact CA-O 3.26Å; N115-L126 PolarHBondContact N-O 3.07Å; N115-A127 PolarHBondContact N-O 3.19Å; N115-R128 VanDerWaalsContact OD1-CD 3.28Å; N115-R128 WeakPolarHBondContact OD1-CD 3.45Å; N115-R128 WeakPolarHBondContact OD1-CG 3.38Å; N115-R128 PolarHBondContact OD1-NE 3.14Å
116	V	98.1	Very high	97.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.			trans	-60.5	138.1	-176.2	-173.9	0	0	0	0	111.2	L104 V113 C114 R125 L126 A134 I148 A164	L104-V116 HydrophobicContact CD1-CG1 4Å; L104-V116 HydrophobicContact CD2-CG1 4.27Å; L104-V116 HydrophobicContact CG-CG1 4.5Å; V113-V116 HydrophobicContact CB-CG2 4.26Å; V113-V116 HydrophobicContact CG2-CG2 3.54Å; C114-V116 PolarHBondContact O-N 2.72Å; C114-V116 VanDerWaalsContact O-N 3.12Å; V116-R125 PolarHBondContact O-N 3Å; V116-L126 HydrophobicContact CB-CB 4.22Å; V116-L126 PolarHBondContact N-O 3.07Å; V116-L126 VanDerWaalsContact N-O 3.1Å; V116-L126 PolarHBondContact O-N 3.43Å; V116-A134 HydrophobicContact CG2-CB 4.25Å; V116-I148 HydrophobicContact CG1-CD1 4.07Å; V116-A164 HydrophobicContact CB-CB 4.32Å; V116-A164 HydrophobicContact CG1-CB 4.31Å; V116-A164 HydrophobicContact CG2-CB 3.83Å
117	E	98.4	Very high	97.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.243	C	C	.	.			trans	-69.8	143	171.7	-63.1	-170.3	146.8	0	0	111.1	F29 G121 D122 R123 N162 R163	F29-E117 HydrophobicContact CD2-CG 4.13Å; F29-E117 HydrophobicContact CE2-CG 4.2Å; E117-G121 VanDerWaalsContact CD-N 3.34Å; E117-G121 WeakPolarHBondContact OE1-CA 3.3Å; E117-G121 PolarHBondContact OE1-N 2.93Å; E117-G121 PolarHBondContact OE2-N 2.94Å; E117-D122 VanDerWaalsContact CA-OD1 3.24Å; E117-D122 WeakPolarHBondContact CA-OD1 3.28Å; E117-D122 WeakPolarHBondContact CB-OD1 3.37Å; E117-D122 WeakPolarHBondContact CG-OD1 3.25Å; E117-R123 PolarHBondContact OE1-N 2.88Å; E117-N162 VanDerWaalsContact C-ND2 3.33Å; E117-N162 HydrophobicContact CB-CB 3.9Å; E117-N162 PolarHBondContact O-ND2 3.4Å; E117-R163 HydrophobicContact CG-CB 4.06Å; E117-R163 WeakPolarHBondContact CG-O 3.28Å; E117-R163 PolarHBondContact N-O 3.19Å; E117-R163 IonicContact OE1-CZ 3.65Å; E117-R163 VanDerWaalsContact OE1-CZ 3.25Å; E117-R163 IonicContact OE1-NE 3.89Å; E117-R163 PolarHBondContact OE1-NE 3.39Å; E117-R163 IonicContact OE1-NH2 3.96Å; E117-R163 PolarHBondContact OE1-NH2 3.36Å; E117-R163 PolarHBondContact OE2-N 2.99Å; E117-R163 IonicContact OE2-NE 2.67Å
118	E	97.2	Very high	97.2	Very high	73 Å²	73	48.2 Å²	48.2	34%	0.341	25%	0.253	S	S	.	.	S	Bend	trans	-88.7	-40.3	170.9	177.6	170.1	-156.9	0	0	110.8	D122 R125 L126 K156 N162	E118-D122 WeakPolarHBondContact CA-OD2 3.08Å; E118-D122 WeakPolarHBondContact CB-OD2 3.42Å; E118-D122 PolarHBondContact N-OD2 2.95Å; E118-R125 HydrophobicContact CB-CB 4.01Å; E118-R125 HydrophobicContact CB-CG 4.05Å; E118-L126 HydrophobicContact CB-CD1 4.33Å; E118-L126 HydrophobicContact CB-CG 4.46Å; E118-K156 IonicContact OE1-NZ 3.71Å; E118-K156 PolarHBondContact OE1-NZ 3.11Å; E118-N162 PolarHBondContact O-ND2 3.28Å
119	K	96.9	Very high	97.2	Very high	155 Å²	155	48.5 Å²	48.5	67%	0.674	25%	0.253	S	S	*	.	S	Bend	trans	-121.9	144.7	169.4	-62.1	-179.6	179.6	-175.7	0	109.3	G121 D122	K119-G121 PolarHBondContact O-N 2.72Å; K119-G121 VanDerWaalsContact O-N 3.15Å; K119-D122 PolarHBondContact N-OD2 2.89Å; K119-D122 WeakPolarHBondContact O-CB 3.27Å; K119-D122 PolarHBondContact O-N 3.3Å
120	T	95.7	Very high	97.2	Very high	67 Å²	67	43.9 Å²	43.9	41%	0.411	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	122.1	-179.7	-50.1	0	0	0	0	110.8	L32 T161 N162	L32-T120 HydrophobicContact CD2-CG2 3.88Å; T120-T161 PolarHBondContact OG1-OG1 2.98Å; T120-N162 VanDerWaalsContact CA-OD1 3.32Å; T120-N162 WeakPolarHBondContact CA-OD1 3.46Å; T120-N162 PolarHBondContact N-OD1 2.69Å; T120-N162 PolarHBondContact OG1-OD1 3.12Å
121	G	95.7	Very high	97.2	Very high	28 Å²	28	42.7 Å²	42.7	29%	0.289	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	6.3	177.8	0	0	0	0	0	115.8	E117 K119 R123	E117-G121 VanDerWaalsContact CD-N 3.34Å; E117-G121 WeakPolarHBondContact OE1-CA 3.3Å; E117-G121 PolarHBondContact OE1-N 2.93Å; E117-G121 PolarHBondContact OE2-N 2.94Å; K119-G121 PolarHBondContact O-N 2.72Å; K119-G121 VanDerWaalsContact O-N 3.15Å; G121-R123 WeakPolarHBondContact O-CG 3.37Å; G121-R123 PolarHBondContact O-N 3.5Å; G121-R123 VanDerWaalsContact O-N 3.12Å
122	D	96.6	Very high	97.2	Very high	59 Å²	59	44.2 Å²	44.2	32%	0.316	23%	0.228	S	C	.	.	S	Bend	trans	-69.9	-2	175	75.5	8.9	0	0	0	114.4	E117 E118 K119 G124	E117-D122 VanDerWaalsContact CA-OD1 3.24Å; E117-D122 WeakPolarHBondContact CA-OD1 3.28Å; E117-D122 WeakPolarHBondContact CB-OD1 3.37Å; E117-D122 WeakPolarHBondContact CG-OD1 3.25Å; E118-D122 WeakPolarHBondContact CA-OD2 3.08Å; E118-D122 WeakPolarHBondContact CB-OD2 3.42Å; E118-D122 PolarHBondContact N-OD2 2.95Å; K119-D122 PolarHBondContact N-OD2 2.89Å; K119-D122 WeakPolarHBondContact O-CB 3.27Å; K119-D122 PolarHBondContact O-N 3.3Å; D122-G124 VanDerWaalsContact C-N 3.28Å; D122-G124 PolarHBondContact O-N 3.05Å; D122-G124 PolarHBondContact OD1-N 2.81Å
123	R	97.1	Very high	97.2	Very high	60 Å²	60	47.1 Å²	47.1	23%	0.226	24%	0.235	C	C	.	.			trans	66.4	23.7	175.5	-46.5	177.3	62.9	176.7	-1.3	114.2	R28 F29 E74 E117 G121	R28-R123 WeakPolarHBondContact CA-O 3.39Å; R28-R123 HydrophobicContact CB-CB 3.89Å; R28-R123 HydrophobicContact CG-CB 4.36Å; F29-R123 HydrophobicContact CB-CB 4.34Å; F29-R123 PolarHBondContact N-O 3.18Å; F29-R123 PolarHBondContact O-NE 2.99Å; F29-R123 PolarHBondContact O-NH2 2.81Å; E74-R123 IonicContact OE1-NH2 3.84Å; E74-R123 IonicContact OE2-NH2 2.93Å; E74-R123 PolarHBondContact OE2-NH2 3.49Å; E117-R123 PolarHBondContact OE1-N 2.88Å; G121-R123 WeakPolarHBondContact O-CG 3.37Å; G121-R123 PolarHBondContact O-N 3.5Å; G121-R123 VanDerWaalsContact O-N 3.12Å
124	G	95.9	Very high	97.2	Very high	4 Å²	4	47.2 Å²	47.2	4%	0.041	24%	0.235	C	C	.	.			trans	101.2	124	167.9	0	0	0	0	0	113.3	N115 D122 R128	N115-G124 VanDerWaalsContact O-CA 3.27Å; N115-G124 WeakPolarHBondContact O-CA 3.27Å; D122-G124 VanDerWaalsContact C-N 3.28Å; D122-G124 PolarHBondContact O-N 3.05Å; D122-G124 PolarHBondContact OD1-N 2.81Å; G124-R128 PolarHBondContact O-NH1 3.42Å; G124-R128 VanDerWaalsContact O-NH1 3.11Å
125	R	97.1	Very high	97.2	Very high	163 Å²	163	49 Å²	49	62%	0.615	25%	0.246	S	C	*	.			trans	-132.6	-39.1	-169.6	-168.8	65.1	174.2	-179.9	0.3	114.2	V116 E118 R128	V116-R125 PolarHBondContact O-N 3Å; E118-R125 HydrophobicContact CB-CB 4.01Å; E118-R125 HydrophobicContact CB-CG 4.05Å; R125-R128 VanDerWaalsContact O-CD 3.3Å; R125-R128 WeakPolarHBondContact O-CD 3.26Å
126	L	97.6	Very high	97.2	Very high	27 Å²	27	49 Å²	49	14%	0.141	25%	0.247	C	C	.	.	S	Bend	trans	-105.2	155.8	-170	-51.8	169.3	0	0	0	110.9	N115 V116 E118 R128 I148 L150 V158	N115-L126 CarbonylContact C-O 3.53Å; N115-L126 WeakPolarHBondContact CA-O 3.26Å; N115-L126 PolarHBondContact N-O 3.07Å; V116-L126 HydrophobicContact CB-CB 4.22Å; V116-L126 PolarHBondContact N-O 3.07Å; V116-L126 VanDerWaalsContact N-O 3.1Å; V116-L126 PolarHBondContact O-N 3.43Å; E118-L126 HydrophobicContact CB-CD1 4.33Å; E118-L126 HydrophobicContact CB-CG 4.46Å; L126-R128 WeakPolarHBondContact O-CG 3.01Å; L126-R128 PolarHBondContact O-N 2.84Å; L126-I148 HydrophobicContact CD1-CD1 4.02Å; L126-L150 HydrophobicContact CB-CD2 4.15Å; L126-L150 HydrophobicContact CD1-CD2 4.04Å; L126-L150 HydrophobicContact CD2-CD2 4.47Å; L126-L150 HydrophobicContact CG-CD2 4.44Å; L126-V158 HydrophobicContact CD1-CG1 4.5Å
127	A	97.1	Very high	97.2	Very high	10 Å²	10	51.9 Å²	51.9	8%	0.083	26%	0.261	C	S	.	.	S	Bend	trans	49	59.2	178.9	0	0	0	0	0	114.3	N115 A134 P151 V169	N115-A127 PolarHBondContact N-O 3.19Å; A127-A134 HydrophobicContact CB-CB 4.13Å; A127-P151 HydrophobicContact CB-CG 4.08Å; A127-V169 VanDerWaalsContact O-CG2 3.3Å; A127-V169 WeakPolarHBondContact O-CG2 3.16Å
128	R	97.5	Very high	97.1	Very high	62 Å²	62	53.5 Å²	53.5	23%	0.234	27%	0.274	C	S	.	.			trans	-112	-7.7	-172.1	-58.8	-169.5	65	-169.7	-10.9	115.2	A27 I77 N115 G124 R125 L126	A27-R128 PolarHBondContact O-NH2 2.85Å; I77-R128 HydrophobicContact CD1-CB 3.57Å; I77-R128 HydrophobicContact CD1-CG 3.9Å; N115-R128 VanDerWaalsContact OD1-CD 3.28Å; N115-R128 WeakPolarHBondContact OD1-CD 3.45Å; N115-R128 WeakPolarHBondContact OD1-CG 3.38Å; N115-R128 PolarHBondContact OD1-NE 3.14Å; G124-R128 PolarHBondContact O-NH1 3.42Å; G124-R128 VanDerWaalsContact O-NH1 3.11Å; R125-R128 VanDerWaalsContact O-CD 3.3Å; R125-R128 WeakPolarHBondContact O-CD 3.26Å; L126-R128 WeakPolarHBondContact O-CG 3.01Å; L126-R128 PolarHBondContact O-N 2.84Å
129	T	97.2	Very high	97.2	Very high	80 Å²	80	52.2 Å²	52.2	49%	0.491	27%	0.268	S	S	.	.	S	Bend	trans	-87.9	153.6	-176.6	47.2	0	0	0	0	110.6	G131 N132 V169	T129-G131 PolarHBondContact O-N 2.93Å; T129-N132 WeakPolarHBondContact O-CB 3.33Å; T129-N132 PolarHBondContact O-N 3.24Å; T129-N132 WeakPolarHBondContact OG1-CB 3.3Å; T129-N132 PolarHBondContact OG1-ND2 2.92Å; T129-N132 PolarHBondContact OG1-OD1 2.89Å; T129-V169 VanDerWaalsContact O-CB 3.26Å; T129-V169 WeakPolarHBondContact O-CB 3.45Å; T129-V169 WeakPolarHBondContact O-CG1 3.26Å
130	S	97.6	Very high	97.1	Very high	18 Å²	18	48 Å²	48	13%	0.126	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	124.8	-179.8	54.8	0	0	0	0	112.3	N132 G171	S130-N132 VanDerWaalsContact C-N 3.28Å; S130-N132 PolarHBondContact O-N 3.05Å; S130-G171 WeakPolarHBondContact CB-O 3.44Å
131	G	97	Very high	97	Very high	23 Å²	23	49.8 Å²	49.8	24%	0.237	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-2.6	-179.3	0	0	0	0	0	115.5	T129 V169	T129-G131 PolarHBondContact O-N 2.93Å; G131-V169 VanDerWaalsContact CA-O 3.27Å; G131-V169 WeakPolarHBondContact CA-O 3.48Å; G131-V169 PolarHBondContact N-O 3.16Å
132	N	97.4	Very high	96.9	Very high	52 Å²	52	55.4 Å²	55.4	28%	0.278	29%	0.289	S	S	.	.			trans	-86.6	154.2	180	-76.4	38.3	0	0	0	111.7	T129 S130 P151 V169	T129-N132 WeakPolarHBondContact O-CB 3.33Å; T129-N132 PolarHBondContact O-N 3.24Å; T129-N132 WeakPolarHBondContact OG1-CB 3.3Å; T129-N132 PolarHBondContact OG1-ND2 2.92Å; T129-N132 PolarHBondContact OG1-OD1 2.89Å; S130-N132 VanDerWaalsContact C-N 3.28Å; S130-N132 PolarHBondContact O-N 3.05Å; N132-P151 HydrophobicContact CB-CB 4.28Å; N132-P151 HydrophobicContact CB-CG 3.95Å; N132-P151 WeakPolarHBondContact ND2-CB 3.46Å; N132-P151 WeakPolarHBondContact ND2-CG 3.41Å; N132-V169 WeakPolarHBondContact O-CG2 3.41Å; N132-V169 PolarHBondContact O-N 3.28Å; N132-V169 VanDerWaalsContact O-N 3.12Å
133	Y	97.9	Very high	96.8	Very high	109 Å²	109	55.3 Å²	55.3	43%	0.427	29%	0.293	S	S	.	.			trans	-147.5	165.5	172.4	59.6	-86.8	0	0	0	110	V112 V113 P151 I168	V112-Y133 VanDerWaalsContact CG1-CB 3.47Å; V112-Y133 HydrophobicContact CG1-CD2 3.71Å; V112-Y133 HydrophobicContact CG1-CG 3.69Å; V113-Y133 CarbonylContact O-C 3.43Å; V113-Y133 WeakPolarHBondContact O-CA 3.49Å; Y133-P151 WeakPolarHBondContact O-CD 3.29Å; Y133-P151 VanDerWaalsContact O-CG 3.25Å; Y133-P151 WeakPolarHBondContact O-CG 3.36Å; Y133-I168 HydrophobicContact CD1-CD1 4.32Å; Y133-I168 HydrophobicContact CD1-CG1 4.17Å; Y133-I168 HydrophobicContact CD1-CG2 4.24Å; Y133-I168 HydrophobicContact CG-CG1 4.29Å
134	A	98	Very high	96.8	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	154.6	164.1	0	0	0	0	0	108.4	V113 V116 A127 R149	V113-A134 HydrophobicContact CG2-CB 4.07Å; V113-A134 WeakPolarHBondContact CG2-O 3.24Å; V113-A134 PolarHBondContact N-O 3.33Å; V113-A134 PolarHBondContact O-N 3.4Å; V116-A134 HydrophobicContact CG2-CB 4.25Å; A127-A134 HydrophobicContact CB-CB 4.13Å; A134-R149 WeakPolarHBondContact CA-O 3.41Å; A134-R149 VanDerWaalsContact CB-O 3.26Å; A134-R149 WeakPolarHBondContact CB-O 3.27Å
135	T	98.2	Very high	96.9	Very high	38 Å²	38	64.6 Å²	64.6	23%	0.233	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.3	178.6	-52.8	0	0	0	0	108.7	I137 I148 R149	T135-I137 PolarHBondContact O-N 3.3Å; T135-I148 CarbonylContact O-C 3.04Å; T135-I148 WeakPolarHBondContact O-CA 3.33Å; T135-R149 PolarHBondContact N-O 3.35Å; T135-R149 VanDerWaalsContact N-O 3.07Å; T135-R149 PolarHBondContact O-N 3.38Å
136	I	98	Very high	96.9	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	121.6	170.3	-61.2	-176.9	0	0	0	107.7	L104 M107 G110 T111 V113 H139 T146	L104-I136 HydrophobicContact CD2-CD1 3.83Å; L104-I136 HydrophobicContact CD2-CG1 4.13Å; M107-I136 HydrophobicContact CB-CD1 3.53Å; M107-I136 HydrophobicContact CG-CD1 4.27Å; M107-I136 HydrophobicContact SD-CD1 3.83Å; G110-I136 WeakPolarHBondContact CA-O 3.21Å; G110-I136 PolarHBondContact N-O 2.88Å; T111-I136 PolarHBondContact O-N 2.93Å; V113-I136 HydrophobicContact CG1-CD1 4.04Å; V113-I136 HydrophobicContact CG1-CG1 4.28Å; V113-I136 HydrophobicContact CG2-CG1 4.28Å; I136-H139 VanDerWaalsContact CG2-CE1 3.4Å; I136-H139 WeakPolarHBondContact CG2-CE1 3.4Å; I136-H139 WeakPolarHBondContact CG2-NE2 3.38Å; I136-T146 HydrophobicContact CG2-CG2 3.91Å
137	I	97.5	Very high	96.9	Very high	60 Å²	60	60.9 Å²	60.9	31%	0.308	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-57.9	179.9	-57.1	-178	0	0	0	109.7	T135 R147 R149 K155	T135-I137 PolarHBondContact O-N 3.3Å; I137-R147 HydrophobicContact CB-CB 4.33Å; I137-R147 HydrophobicContact CB-CG 4.32Å; I137-R147 WeakPolarHBondContact CB-O 3.25Å; I137-R147 HydrophobicContact CD1-CG 4.17Å; I137-R147 PolarHBondContact N-O 3.36Å; I137-R149 HydrophobicContact CD1-CB 3.93Å; I137-R149 HydrophobicContact CG1-CB 4.13Å; I137-K155 HydrophobicContact CD1-CB 4.49Å; I137-K155 HydrophobicContact CD1-CD 4.01Å; I137-K155 HydrophobicContact CD1-CG 3.8Å
138	A	97.1	Very high	97	Very high	33 Å²	33	60.4 Å²	60.4	27%	0.273	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	148.6	-174.5	0	0	0	0	0	111.4	E109 R147	E109-A138 VanDerWaalsContact OE1-CA 3.24Å; E109-A138 WeakPolarHBondContact OE1-CA 3.42Å; A138-R147 PolarHBondContact N-O 3.14Å; A138-R147 PolarHBondContact O-N 3.35Å
139	H	97.4	Very high	97	Very high	46 Å²	46	63.2 Å²	63.2	21%	0.213	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.3	168.4	-56.5	-69.4	0	0	0	110.1	L104 M107 E109 I136 T146	L104-H139 PolarHBondContact O-CE1 3.1Å; M107-H139 PolarHBondContact O-NE2 3.33Å; E109-H139 IonicContact OE1-CD2 3Å; E109-H139 PolarHBondContact OE1-N 3.33Å; I136-H139 VanDerWaalsContact CG2-CE1 3.4Å; I136-H139 WeakPolarHBondContact CG2-CE1 3.4Å; I136-H139 WeakPolarHBondContact CG2-NE2 3.38Å; H139-T146 VanDerWaalsContact ND1-CG2 3.35Å; H139-T146 WeakPolarHBondContact ND1-CG2 3.4Å; H139-T146 PolarHBondContact ND1-OG1 3.46Å
140	N	96	Very high	97	Very high	68 Å²	68	60.8 Å²	60.8	36%	0.364	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	103.4	169.2	-177.8	-61.5	0	0	0	108.1	D142 S143 K144 K145	N140-D142 VanDerWaalsContact C-N 3.34Å; N140-D142 PolarHBondContact O-N 2.89Å; N140-D142 PolarHBondContact OD1-N 2.76Å; N140-S143 WeakPolarHBondContact CB-OG 3.35Å; N140-S143 WeakPolarHBondContact OD1-CB 3.19Å; N140-S143 PolarHBondContact OD1-N 3.02Å; N140-S143 PolarHBondContact OD1-OG 3.16Å; N140-K144 PolarHBondContact O-N 3.38Å; N140-K144 VanDerWaalsContact O-N 3.16Å; N140-K145 PolarHBondContact N-O 2.85Å; N140-K145 PolarHBondContact O-N 3.28Å
141	P	93	Very high	96.9	Very high	103 Å²	103	62.9 Å²	62.9	67%	0.669	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-40.5	-179.5	-25.7	35.6	0	0	0	113.3	K144	P141-K144 PolarHBondContact O-N 2.88Å
142	D	94.4	Very high	96.7	Very high	146 Å²	146	65.9 Å²	65.9	78%	0.781	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-48.5	-174	-49.5	-42.3	0	0	0	111.7	N140 K144	N140-D142 VanDerWaalsContact C-N 3.34Å; N140-D142 PolarHBondContact O-N 2.89Å; N140-D142 PolarHBondContact OD1-N 2.76Å; D142-K144 VanDerWaalsContact C-N 3.27Å; D142-K144 PolarHBondContact O-N 3.05Å
143	S	94.7	Very high	96.5	Very high	57 Å²	57	64.2 Å²	64.2	40%	0.399	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.5	178.5	66.4	0	0	0	0	113.6	N140 K145	N140-S143 WeakPolarHBondContact CB-OG 3.35Å; N140-S143 WeakPolarHBondContact OD1-CB 3.19Å; N140-S143 PolarHBondContact OD1-N 3.02Å; N140-S143 PolarHBondContact OD1-OG 3.16Å; S143-K145 WeakPolarHBondContact O-CG 3.49Å; S143-K145 PolarHBondContact O-N 2.9Å
144	K	96.3	Very high	96.3	Very high	161 Å²	161	61.4 Å²	61.4	70%	0.7	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	36.5	-173.9	-59	174.3	-177.1	170.6	0	112.4	N140 P141 D142 S160	N140-K144 PolarHBondContact O-N 3.38Å; N140-K144 VanDerWaalsContact O-N 3.16Å; P141-K144 PolarHBondContact O-N 2.88Å; D142-K144 VanDerWaalsContact C-N 3.27Å; D142-K144 PolarHBondContact O-N 3.05Å; K144-S160 VanDerWaalsContact O-CB 3.27Å; K144-S160 WeakPolarHBondContact O-CB 3.35Å; K144-S160 PolarHBondContact O-N 3.39Å; K144-S160 PolarHBondContact O-OG 2.9Å
145	K	97.7	Very high	96.2	Very high	99 Å²	99	65.9 Å²	65.9	43%	0.43	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.3	179.6	-72.1	173.2	-173.2	174.6	0	110.8	N140 S143 L157 V158 S160	N140-K145 PolarHBondContact N-O 2.85Å; N140-K145 PolarHBondContact O-N 3.28Å; S143-K145 WeakPolarHBondContact O-CG 3.49Å; S143-K145 PolarHBondContact O-N 2.9Å; K145-L157 HydrophobicContact CB-CD2 4.33Å; K145-L157 HydrophobicContact CD-CB 4.44Å; K145-V158 CarbonylContact C-O 3.53Å; K145-V158 VanDerWaalsContact CA-O 3.29Å; K145-V158 WeakPolarHBondContact CA-O 3.43Å; K145-S160 WeakPolarHBondContact CA-OG 3.46Å; K145-S160 PolarHBondContact N-OG 2.93Å; K145-S160 PolarHBondContact O-OG 3Å
146	T	97.9	Very high	96.1	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.9	173.9	-62.7	0	0	0	0	108.7	L104 I136 H139 I148 V158 S160	L104-T146 HydrophobicContact CB-CG2 4.19Å; L104-T146 HydrophobicContact CD1-CG2 4.4Å; I136-T146 HydrophobicContact CG2-CG2 3.91Å; H139-T146 VanDerWaalsContact ND1-CG2 3.35Å; H139-T146 WeakPolarHBondContact ND1-CG2 3.4Å; H139-T146 PolarHBondContact ND1-OG1 3.46Å; T146-I148 HydrophobicContact CG2-CG2 4.12Å; T146-V158 PolarHBondContact N-O 3.49Å; T146-V158 WeakPolarHBondContact O-CG2 3.4Å; T146-V158 PolarHBondContact O-N 2.98Å; T146-S160 PolarHBondContact N-OG 3.03Å; T146-S160 PolarHBondContact OG1-OG 2.86Å
147	R	97.8	Very high	96.1	Very high	112 Å²	112	71.4 Å²	71.4	42%	0.423	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	122	173.6	-168.5	-178.1	-70.8	-150.2	-2.7	108.6	I137 A138 L157	I137-R147 HydrophobicContact CB-CB 4.33Å; I137-R147 HydrophobicContact CB-CG 4.32Å; I137-R147 WeakPolarHBondContact CB-O 3.25Å; I137-R147 HydrophobicContact CD1-CG 4.17Å; I137-R147 PolarHBondContact N-O 3.36Å; A138-R147 PolarHBondContact N-O 3.14Å; A138-R147 PolarHBondContact O-N 3.35Å; R147-L157 HydrophobicContact CB-CD2 3.88Å; R147-L157 HydrophobicContact CG-CD2 4.3Å
148	I	97.6	Very high	96.1	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146.6	176.5	63.3	172.4	0	0	0	110.8	L104 V116 L126 T135 T146 L150 K155 K156 V158	L104-I148 HydrophobicContact CD1-CG2 4.26Å; L104-I148 HydrophobicContact CD2-CG2 4.46Å; V116-I148 HydrophobicContact CG1-CD1 4.07Å; L126-I148 HydrophobicContact CD1-CD1 4.02Å; T135-I148 CarbonylContact O-C 3.04Å; T135-I148 WeakPolarHBondContact O-CA 3.33Å; T146-I148 HydrophobicContact CG2-CG2 4.12Å; I148-L150 HydrophobicContact CD1-CD2 3.87Å; I148-L150 HydrophobicContact CG1-CD2 4.37Å; I148-K155 CarbonylContact O-C 3.59Å; I148-K155 WeakPolarHBondContact O-CA 3.41Å; I148-K156 HydrophobicContact CG1-CB 4.29Å; I148-K156 WeakPolarHBondContact CG1-O 3.43Å; I148-K156 PolarHBondContact N-O 3.06Å; I148-K156 PolarHBondContact O-N 3.03Å; I148-V158 HydrophobicContact CD1-CG1 4.02Å; I148-V158 HydrophobicContact CD1-CG2 4.04Å; I148-V158 HydrophobicContact CG1-CG1 4.44Å; I148-V158 HydrophobicContact CG1-CG2 4.2Å; I148-V158 HydrophobicContact CG2-CG2 4.11Å
149	R	97.6	Very high	96.1	Very high	120 Å²	120	69.4 Å²	69.4	45%	0.453	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.1	167.3	-160.9	177.8	-174.5	-176.2	-0.3	109.2	A134 T135 I137 D252	A134-R149 WeakPolarHBondContact CA-O 3.41Å; A134-R149 VanDerWaalsContact CB-O 3.26Å; A134-R149 WeakPolarHBondContact CB-O 3.27Å; T135-R149 PolarHBondContact N-O 3.35Å; T135-R149 VanDerWaalsContact N-O 3.07Å; T135-R149 PolarHBondContact O-N 3.38Å; I137-R149 HydrophobicContact CD1-CB 3.93Å; I137-R149 HydrophobicContact CG1-CB 4.13Å; R149-D252 IonicContact NH2-OD2 3.16Å
150	L	97.3	Very high	96.1	Very high	30 Å²	30	67.6 Å²	67.6	16%	0.157	36%	0.358	C	S	.	.			trans	-81.5	162	177.4	-63.8	176.3	0	0	0	111.5	L126 I148 S152 G153 A154 K156	L126-L150 HydrophobicContact CB-CD2 4.15Å; L126-L150 HydrophobicContact CD1-CD2 4.04Å; L126-L150 HydrophobicContact CD2-CD2 4.47Å; L126-L150 HydrophobicContact CG-CD2 4.44Å; I148-L150 HydrophobicContact CD1-CD2 3.87Å; I148-L150 HydrophobicContact CG1-CD2 4.37Å; L150-S152 PolarHBondContact O-N 3Å; L150-G153 PolarHBondContact O-N 3.26Å; L150-A154 WeakPolarHBondContact CB-O 3.21Å; L150-A154 PolarHBondContact N-O 3.31Å; L150-K156 HydrophobicContact CD1-CB 4.16Å; L150-K156 HydrophobicContact CD1-CD 4.2Å; L150-K156 HydrophobicContact CG-CB 4.42Å
151	P	95.9	Very high	96.2	Very high	62 Å²	62	68.1 Å²	68.1	40%	0.403	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.1	175.3	-18.7	22.3	0	0	0	114.6	A127 N132 Y133 G153	A127-P151 HydrophobicContact CB-CG 4.08Å; N132-P151 HydrophobicContact CB-CB 4.28Å; N132-P151 HydrophobicContact CB-CG 3.95Å; N132-P151 WeakPolarHBondContact ND2-CB 3.46Å; N132-P151 WeakPolarHBondContact ND2-CG 3.41Å; Y133-P151 WeakPolarHBondContact O-CD 3.29Å; Y133-P151 VanDerWaalsContact O-CG 3.25Å; Y133-P151 WeakPolarHBondContact O-CG 3.36Å; P151-G153 PolarHBondContact O-N 3.05Å
152	S	93.7	Very high	96.4	Very high	85 Å²	85	63.2 Å²	63.2	59%	0.594	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-3.7	175.2	58.1	0	0	0	0	113.9	L150 A154	L150-S152 PolarHBondContact O-N 3Å; S152-A154 VanDerWaalsContact C-N 3.27Å; S152-A154 PolarHBondContact O-N 3.09Å
153	G	92.1	Very high	96.6	Very high	18 Å²	18	56.5 Å²	56.5	19%	0.186	30%	0.296	C	S	.	.	S	Bend	trans	88	-20.4	-172.4	0	0	0	0	0	114.1	L150 P151	L150-G153 PolarHBondContact O-N 3.26Å; P151-G153 PolarHBondContact O-N 3.05Å
154	A	94.4	Very high	96.7	Very high	50 Å²	50	53.8 Å²	53.8	41%	0.413	28%	0.277	S	S	.	.			trans	-65.4	135.9	-178.3	0	0	0	0	0	111.8	L150 S152	L150-A154 WeakPolarHBondContact CB-O 3.21Å; L150-A154 PolarHBondContact N-O 3.31Å; S152-A154 VanDerWaalsContact C-N 3.27Å; S152-A154 PolarHBondContact O-N 3.09Å
155	K	96.5	Very high	96.8	Very high	95 Å²	95	46.1 Å²	46.1	41%	0.413	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	141	170.6	-58.8	177.6	-170.7	148.3	0	109.3	I137 I148 E254	I137-K155 HydrophobicContact CD1-CB 4.49Å; I137-K155 HydrophobicContact CD1-CD 4.01Å; I137-K155 HydrophobicContact CD1-CG 3.8Å; I148-K155 CarbonylContact O-C 3.59Å; I148-K155 WeakPolarHBondContact O-CA 3.41Å; K155-E254 WeakPolarHBondContact CD-OE2 3.03Å; K155-E254 VanDerWaalsContact CE-OE2 3.27Å; K155-E254 WeakPolarHBondContact CE-OE2 3.47Å; K155-E254 IonicContact NZ-OE2 3.88Å; K155-E254 PolarHBondContact NZ-OE2 2.78Å
156	K	96.2	Very high	96.8	Very high	62 Å²	62	42 Å²	42	27%	0.27	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	135.6	177.4	-172.9	171.4	-178.4	173.2	0	110.1	E118 I148 L150 V158	E118-K156 IonicContact OE1-NZ 3.71Å; E118-K156 PolarHBondContact OE1-NZ 3.11Å; I148-K156 HydrophobicContact CG1-CB 4.29Å; I148-K156 WeakPolarHBondContact CG1-O 3.43Å; I148-K156 PolarHBondContact N-O 3.06Å; I148-K156 PolarHBondContact O-N 3.03Å; L150-K156 HydrophobicContact CD1-CB 4.16Å; L150-K156 HydrophobicContact CD1-CD 4.2Å; L150-K156 HydrophobicContact CG-CB 4.42Å; K156-V158 HydrophobicContact CD-CG1 4.28Å; K156-V158 HydrophobicContact CG-CG1 4.15Å
157	L	97.2	Very high	96.8	Very high	93 Å²	93	42.6 Å²	42.6	49%	0.487	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.9	168.1	-72.5	165.2	0	0	0	109.2	K145 R147	K145-L157 HydrophobicContact CB-CD2 4.33Å; K145-L157 HydrophobicContact CD-CB 4.44Å; R147-L157 HydrophobicContact CB-CD2 3.88Å; R147-L157 HydrophobicContact CG-CD2 4.3Å
158	V	97.4	Very high	96.8	Very high	3 Å²	3	40 Å²	40	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	152.9	177	-66.9	0	0	0	0	109.7	L104 L126 K145 T146 I148 K156 S160	L104-V158 HydrophobicContact CD1-CG2 3.34Å; L126-V158 HydrophobicContact CD1-CG1 4.5Å; K145-V158 CarbonylContact C-O 3.53Å; K145-V158 VanDerWaalsContact CA-O 3.29Å; K145-V158 WeakPolarHBondContact CA-O 3.43Å; T146-V158 PolarHBondContact N-O 3.49Å; T146-V158 WeakPolarHBondContact O-CG2 3.4Å; T146-V158 PolarHBondContact O-N 2.98Å; I148-V158 HydrophobicContact CD1-CG1 4.02Å; I148-V158 HydrophobicContact CD1-CG2 4.04Å; I148-V158 HydrophobicContact CG1-CG1 4.44Å; I148-V158 HydrophobicContact CG1-CG2 4.2Å; I148-V158 HydrophobicContact CG2-CG2 4.11Å; K156-V158 HydrophobicContact CD-CG1 4.28Å; K156-V158 HydrophobicContact CG-CG1 4.15Å; V158-S160 PolarHBondContact O-N 3.15Å
159	P	97.8	Very high	96.9	Very high	47 Å²	47	40 Å²	40	31%	0.305	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	135.1	175	-23.3	31.1	0	0	0	111.8	T161 N162	P159-T161 PolarHBondContact O-N 2.86Å; P159-T161 VanDerWaalsContact O-N 3.16Å; P159-N162 WeakPolarHBondContact CB-OD1 3.39Å; P159-N162 WeakPolarHBondContact O-CB 3.35Å; P159-N162 PolarHBondContact O-N 2.64Å
160	S	97.4	Very high	96.9	Very high	9 Å²	9	34.9 Å²	34.9	6%	0.063	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.3	-178.8	-82.1	0	0	0	0	113.8	L104 N105 K144 K145 T146 V158 N162	L104-S160 PolarHBondContact N-O 3Å; N105-S160 PolarHBondContact N-O 3.12Å; N105-S160 VanDerWaalsContact N-O 3.13Å; N105-S160 PolarHBondContact OD1-O 2.89Å; K144-S160 VanDerWaalsContact O-CB 3.27Å; K144-S160 WeakPolarHBondContact O-CB 3.35Å; K144-S160 PolarHBondContact O-N 3.39Å; K144-S160 PolarHBondContact O-OG 2.9Å; K145-S160 WeakPolarHBondContact CA-OG 3.46Å; K145-S160 PolarHBondContact N-OG 2.93Å; K145-S160 PolarHBondContact O-OG 3Å; T146-S160 PolarHBondContact N-OG 3.03Å; T146-S160 PolarHBondContact OG1-OG 2.86Å; V158-S160 PolarHBondContact O-N 3.15Å; S160-N162 VanDerWaalsContact C-N 3.32Å
161	T	96.8	Very high	96.9	Very high	78 Å²	78	35.2 Å²	35.2	48%	0.479	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-10.1	175.9	53.3	0	0	0	0	114	T120 P159	T120-T161 PolarHBondContact OG1-OG1 2.98Å; P159-T161 PolarHBondContact O-N 2.86Å; P159-T161 VanDerWaalsContact O-N 3.16Å
162	N	97.8	Very high	96.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	22%	0.221	C	C	.	.			trans	-61.6	139.1	179.2	-78.4	14.1	0	0	0	110.4	P103 L104 E117 E118 T120 P159 S160	P103-N162 CarbonylContact C-O 3.56Å; P103-N162 VanDerWaalsContact CA-O 3.3Å; P103-N162 WeakPolarHBondContact CA-O 3.34Å; L104-N162 HydrophobicContact CD1-CB 4.03Å; L104-N162 WeakPolarHBondContact CG-O 3.27Å; L104-N162 PolarHBondContact N-O 3.29Å; E117-N162 VanDerWaalsContact C-ND2 3.33Å; E117-N162 HydrophobicContact CB-CB 3.9Å; E117-N162 PolarHBondContact O-ND2 3.4Å; E118-N162 PolarHBondContact O-ND2 3.28Å; T120-N162 VanDerWaalsContact CA-OD1 3.32Å; T120-N162 WeakPolarHBondContact CA-OD1 3.46Å; T120-N162 PolarHBondContact N-OD1 2.69Å; T120-N162 PolarHBondContact OG1-OD1 3.12Å; P159-N162 WeakPolarHBondContact CB-OD1 3.39Å; P159-N162 WeakPolarHBondContact O-CB 3.35Å; P159-N162 PolarHBondContact O-N 2.64Å; S160-N162 VanDerWaalsContact C-N 3.32Å
163	R	98	Very high	97.1	Very high	6 Å²	6	32.2 Å²	32.2	2%	0.023	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	148.7	177.3	-63.2	177.9	-66.4	175.6	3.4	111.8	F29 R30 E36 I101 L102 E117	F29-R163 HydrophobicContact CD2-CB 4.12Å; F29-R163 HydrophobicContact CE2-CB 4.05Å; R30-R163 PolarHBondContact O-NH1 2.86Å; R30-R163 PolarHBondContact O-NH2 3.02Å; E36-R163 IonicContact OE1-NH1 3.98Å; E36-R163 VanDerWaalsContact OE2-CD 3.32Å; E36-R163 WeakPolarHBondContact OE2-CD 3.43Å; E36-R163 IonicContact OE2-CZ 3.25Å; E36-R163 IonicContact OE2-NE 2.93Å; E36-R163 IonicContact OE2-NH1 3.6Å; E36-R163 PolarHBondContact OE2-NH1 2.81Å; I101-R163 HydrophobicContact CG2-CB 3.94Å; I101-R163 HydrophobicContact CG2-CG 4.43Å; L102-R163 CarbonylContact O-C 3.48Å; L102-R163 WeakPolarHBondContact O-CA 3.15Å; E117-R163 HydrophobicContact CG-CB 4.06Å; E117-R163 WeakPolarHBondContact CG-O 3.28Å; E117-R163 PolarHBondContact N-O 3.19Å; E117-R163 IonicContact OE1-CZ 3.65Å; E117-R163 VanDerWaalsContact OE1-CZ 3.25Å; E117-R163 IonicContact OE1-NE 3.89Å; E117-R163 PolarHBondContact OE1-NE 3.39Å; E117-R163 IonicContact OE1-NH2 3.96Å; E117-R163 PolarHBondContact OE1-NH2 3.36Å; E117-R163 PolarHBondContact OE2-N 2.99Å; E117-R163 IonicContact OE2-NE 2.67Å
164	A	98.1	Very high	97.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	155.6	169.5	0	0	0	0	0	109.9	I101 L102 L104 M107 V113 V116	I101-A164 VanDerWaalsContact CA-O 3.28Å; I101-A164 WeakPolarHBondContact CA-O 3.25Å; L102-A164 PolarHBondContact N-O 3.13Å; L102-A164 PolarHBondContact O-N 2.85Å; L104-A164 HydrophobicContact CD2-CB 3.67Å; L104-A164 HydrophobicContact CG-CB 4.38Å; M107-A164 HydrophobicContact CE-CB 3.89Å; M107-A164 WeakPolarHBondContact CE-O 3.36Å; M107-A164 HydrophobicContact SD-CB 4.45Å; V113-A164 HydrophobicContact CB-CB 3.96Å; V113-A164 HydrophobicContact CG1-CB 4.19Å; V113-A164 HydrophobicContact CG2-CB 4.3Å; V116-A164 HydrophobicContact CB-CB 4.32Å; V116-A164 HydrophobicContact CG1-CB 4.31Å; V116-A164 HydrophobicContact CG2-CB 3.83Å
165	M	98.3	Very high	97.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	133	172.7	177	179.1	-81.9	0	0	108.8	F29 M76 C79 M82 N100 I101 V113 C114	F29-M165 HydrophobicContact CE1-CB 4.03Å; F29-M165 HydrophobicContact CE1-CE 4.26Å; F29-M165 HydrophobicContact CZ-CB 4.06Å; M76-M165 HydrophobicContact CB-CE 4.49Å; M76-M165 HydrophobicContact SD-CE 4.45Å; C79-M165 HydrophobicContact CB-CG 4.36Å; C79-M165 HydrophobicContact CB-SD 3.77Å; M82-M165 HydrophobicContact SD-SD 4.38Å; N100-M165 CarbonylContact O-C 3.39Å; N100-M165 WeakPolarHBondContact O-CA 3.3Å; I101-M165 HydrophobicContact CD1-CE 3.94Å; I101-M165 HydrophobicContact CG1-CB 4.13Å; I101-M165 HydrophobicContact CG1-CE 4.02Å; I101-M165 HydrophobicContact CG1-CG 4.42Å; V113-M165 CarbonylContact C-O 3.5Å; V113-M165 VanDerWaalsContact CA-O 3.25Å; V113-M165 WeakPolarHBondContact CA-O 3.19Å; C114-M165 PolarHBondContact N-O 2.78Å; C114-M165 PolarHBondContact O-N 2.83Å
166	I	98.1	Very high	97.4	Very high	13 Å²	13	41 Å²	41	7%	0.067	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	132.3	178.6	-64.9	170.3	0	0	0	109.9	C79 V96 T97 G99 N100 L102 M107 T111	C79-I166 PolarHBondContact SG-O 3.45Å; V96-I166 VanDerWaalsContact CA-CD1 3.49Å; V96-I166 HydrophobicContact CB-CD1 4.04Å; V96-I166 HydrophobicContact CG1-CD1 3.58Å; T97-I166 WeakPolarHBondContact O-CB 3.28Å; G99-I166 PolarHBondContact N-O 3.2Å; N100-I166 PolarHBondContact O-N 2.84Å; L102-I166 HydrophobicContact CD1-CD1 3.44Å; L102-I166 VanDerWaalsContact CD1-CD1 3.44Å; L102-I166 HydrophobicContact CD1-CG1 4.1Å; M107-I166 HydrophobicContact CE-CD1 4.41Å; M107-I166 HydrophobicContact CE-CG1 3.73Å; M107-I166 HydrophobicContact SD-CG1 3.95Å; T111-I166 HydrophobicContact CG2-CG2 4.44Å
167	G	97.7	Very high	97.4	Very high	11 Å²	11	45.4 Å²	45.4	11%	0.113	27%	0.268	C	S	.	.	S	Bend	trans	104.7	-168.1	176.3	0	0	0	0	0	114.5	C79 V112 V113 C114	C79-G167 WeakPolarHBondContact SG-CA 3.14Å; V112-G167 PolarHBondContact O-N 3.26Å; V113-G167 CarbonylContact C-O 3.53Å; V113-G167 WeakPolarHBondContact CA-O 3.24Å; C114-G167 WeakPolarHBondContact CB-O 3.33Å; C114-G167 PolarHBondContact N-O 2.91Å; C114-G167 PolarHBondContact SG-O 2.91Å
168	I	98	Very high	97.5	Very high	57 Å²	57	45 Å²	45	29%	0.292	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-101.9	146.9	-172.9	-57.7	172.4	0	0	0	110	C79 E80 V112 Y133 A170	C79-I168 CarbonylContact C-O 3.56Å; C79-I168 VanDerWaalsContact CA-O 3.32Å; C79-I168 WeakPolarHBondContact CA-O 3.32Å; C79-I168 PolarHBondContact SG-N 2.85Å; C79-I168 VanDerWaalsContact SG-N 3.38Å; C79-I168 PolarHBondContact SG-O 2.79Å; E80-I168 PolarHBondContact N-O 3.37Å; V112-I168 HydrophobicContact CG1-CD1 4.37Å; V112-I168 HydrophobicContact CG1-CG1 3.59Å; Y133-I168 HydrophobicContact CD1-CD1 4.32Å; Y133-I168 HydrophobicContact CD1-CG1 4.17Å; Y133-I168 HydrophobicContact CD1-CG2 4.24Å; Y133-I168 HydrophobicContact CG-CG1 4.29Å; I168-A170 PolarHBondContact O-N 3.19Å
169	V	98.5	Very high	97.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-65.2	127.5	173.4	-179.6	0	0	0	0	110.9	A56 I77 C114 A127 T129 G131 N132	A56-V169 HydrophobicContact CB-CG1 3.36Å; I77-V169 HydrophobicContact CG2-CB 4.35Å; I77-V169 HydrophobicContact CG2-CG1 3.56Å; I77-V169 HydrophobicContact CG2-CG2 4.05Å; C114-V169 HydrophobicContact CB-CG2 3.52Å; A127-V169 VanDerWaalsContact O-CG2 3.3Å; A127-V169 WeakPolarHBondContact O-CG2 3.16Å; T129-V169 VanDerWaalsContact O-CB 3.26Å; T129-V169 WeakPolarHBondContact O-CB 3.45Å; T129-V169 WeakPolarHBondContact O-CG1 3.26Å; G131-V169 VanDerWaalsContact CA-O 3.27Å; G131-V169 WeakPolarHBondContact CA-O 3.48Å; G131-V169 PolarHBondContact N-O 3.16Å; N132-V169 WeakPolarHBondContact O-CG2 3.41Å; N132-V169 PolarHBondContact O-N 3.28Å; N132-V169 VanDerWaalsContact O-N 3.12Å
170	A	98.2	Very high	97.4	Very high	13 Å²	13	52.7 Å²	52.7	11%	0.107	31%	0.309	C	S	.	.	S	Bend	trans	-60.5	158.3	179.8	0	0	0	0	0	114.2	P57 A78 E80 I168	P57-A170 WeakPolarHBondContact CD-O 3.26Å; P57-A170 HydrophobicContact CG-CB 3.7Å; A78-A170 HydrophobicContact CB-CB 4.36Å; A78-A170 WeakPolarHBondContact O-CB 3.39Å; A78-A170 PolarHBondContact O-N 3.43Å; E80-A170 HydrophobicContact CB-CB 4.44Å; I168-A170 PolarHBondContact O-N 3.19Å
171	G	96.6	Very high	97.5	Very high	38 Å²	38	59 Å²	59	39%	0.392	34%	0.335	S	S	.	.			trans	82.6	29.5	177.4	0	0	0	0	0	114.4	S130	S130-G171 WeakPolarHBondContact CB-O 3.44Å
172	G	97	Very high	97.5	Very high	40 Å²	40	58.3 Å²	58.3	41%	0.412	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	170.6	171	0	0	0	0	0	113.3	R174	G172-R174 PolarHBondContact O-N 3.19Å
173	G	96.7	Very high	97.5	Very high	44 Å²	44	60.3 Å²	60.3	45%	0.454	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	-13.3	177.1	0	0	0	0	0	116.5	T175 D176	G173-T175 PolarHBondContact O-N 3.49Å; G173-D176 WeakPolarHBondContact CA-OD2 3.41Å; G173-D176 WeakPolarHBondContact O-CB 3.39Å; G173-D176 PolarHBondContact O-N 2.96Å
174	R	96.7	Very high	97.5	Very high	116 Å²	116	65.9 Å²	65.9	44%	0.438	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-25.5	179.5	-171.2	-168.9	56.3	61.3	9	113.8	G172 D176	G172-R174 PolarHBondContact O-N 3.19Å; R174-D176 VanDerWaalsContact C-N 3.34Å
175	T	95.9	Very high	97.5	Very high	104 Å²	104	66.4 Å²	66.4	64%	0.638	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-18.4	-179.6	42.1	0	0	0	0	114	G173	G173-T175 PolarHBondContact O-N 3.49Å
176	D	96.8	Very high	97.5	Very high	127 Å²	127	71.1 Å²	71.1	68%	0.679	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-29.1	-167.9	-50.3	-19.1	0	0	0	110.1	G173 R174 P178	G173-D176 WeakPolarHBondContact CA-OD2 3.41Å; G173-D176 WeakPolarHBondContact O-CB 3.39Å; G173-D176 PolarHBondContact O-N 2.96Å; R174-D176 VanDerWaalsContact C-N 3.34Å; D176-P178 WeakPolarHBondContact O-CD 3.45Å
177	K	97.3	Very high	97.4	Very high	154 Å²	154	78.1 Å²	78.1	67%	0.67	43%	0.427	S	S	*	.	S	Bend	trans	-68.8	122.6	172.8	-174.6	171.4	-175.9	165.9	0	111.5
178	P	97.7	Very high	97.4	Very high	86 Å²	86	81.1 Å²	81.1	56%	0.558	44%	0.437	S	S	*	.			trans	-65.4	143.8	174.7	27.3	-34.3	0	0	0	111.3	D176 L180	D176-P178 WeakPolarHBondContact O-CD 3.45Å; P178-L180 HydrophobicContact CB-CD2 4Å; P178-L180 HydrophobicContact CB-CG 4.33Å; P178-L180 HydrophobicContact CG-CD2 4.05Å; P178-L180 HydrophobicContact CG-CG 4.33Å
179	I	96.7	Very high	97.4	Very high	70 Å²	70	81 Å²	81	36%	0.359	43%	0.433	S	S	.	.			trans	-71.8	-35.9	-176.5	-63	175.5	0	0	0	111.5	K181 R184 A185 K188	I179-K181 PolarHBondContact O-N 3.35Å; I179-R184 HydrophobicContact CG2-CB 3.82Å; I179-R184 VanDerWaalsContact O-CD 3.24Å; I179-R184 WeakPolarHBondContact O-CD 3.46Å; I179-R184 PolarHBondContact O-NH1 3.32Å; I179-A185 HydrophobicContact CG2-CB 4.25Å; I179-K188 HydrophobicContact CD1-CD 4.27Å
180	L	97.7	Very high	97.3	Very high	141 Å²	141	85.6 Å²	85.6	74%	0.738	45%	0.453	S	S	*	.			trans	64.3	-59.4	-178.7	-53.2	173.4	0	0	0	114.6	P178	P178-L180 HydrophobicContact CB-CD2 4Å; P178-L180 HydrophobicContact CB-CG 4.33Å; P178-L180 HydrophobicContact CG-CD2 4.05Å; P178-L180 HydrophobicContact CG-CG 4.33Å
181	K	98.2	Very high	97.3	Very high	140 Å²	140	86.9 Å²	86.9	61%	0.609	46%	0.461	S	S	*	.			trans	-100.6	137.7	-173	-60	-172.7	179.5	-172.6	0	112.8	I179 G183 R184 A185	I179-K181 PolarHBondContact O-N 3.35Å; K181-G183 VanDerWaalsContact C-N 3.29Å; K181-G183 PolarHBondContact O-N 2.79Å; K181-R184 HydrophobicContact CB-CG 4.27Å; K181-R184 WeakPolarHBondContact O-CB 3.48Å; K181-R184 PolarHBondContact O-N 3.01Å; K181-R184 VanDerWaalsContact O-N 3.14Å; K181-A185 PolarHBondContact O-N 2.99Å
182	A	97.9	Very high	97.3	Very high	64 Å²	64	88 Å²	88	53%	0.529	46%	0.455	S	S	.	.	H	α-helix	trans	-59.1	-38.1	173.3	0	0	0	0	0	112.6	R184 A185 Y186 W196	A182-R184 VanDerWaalsContact C-N 3.3Å; A182-R184 PolarHBondContact O-N 3.2Å; A182-A185 WeakPolarHBondContact O-CA 3.46Å; A182-A185 WeakPolarHBondContact O-CB 3.48Å; A182-A185 PolarHBondContact O-N 2.73Å; A182-Y186 PolarHBondContact O-N 2.9Å; A182-W196 HydrophobicContact CB-CH2 4.32Å; A182-W196 HydrophobicContact CB-CZ2 4.06Å
183	G	98.1	Very high	97.2	Very high	42 Å²	42	92.3 Å²	92.3	43%	0.433	46%	0.459	S	S	.	.	H	α-helix	trans	-59	-36.7	175.4	0	0	0	0	0	113.4	K181 A185 Y186 W187	K181-G183 VanDerWaalsContact C-N 3.29Å; K181-G183 PolarHBondContact O-N 2.79Å; G183-A185 VanDerWaalsContact C-N 3.35Å; G183-A185 PolarHBondContact O-N 3.45Å; G183-Y186 WeakPolarHBondContact O-CB 3.42Å; G183-Y186 PolarHBondContact O-N 2.63Å; G183-W187 PolarHBondContact O-N 2.96Å
184	R	97.7	Very high	97.1	Very high	124 Å²	124	96 Å²	96	47%	0.468	46%	0.462	S	S	.	.	H	α-helix	trans	-66.5	-37.7	173.9	-71	175.8	177.9	166.5	0.4	111.5	I179 K181 A182 K188	I179-R184 HydrophobicContact CG2-CB 3.82Å; I179-R184 VanDerWaalsContact O-CD 3.24Å; I179-R184 WeakPolarHBondContact O-CD 3.46Å; I179-R184 PolarHBondContact O-NH1 3.32Å; K181-R184 HydrophobicContact CB-CG 4.27Å; K181-R184 WeakPolarHBondContact O-CB 3.48Å; K181-R184 PolarHBondContact O-N 3.01Å; K181-R184 VanDerWaalsContact O-N 3.14Å; A182-R184 VanDerWaalsContact C-N 3.3Å; A182-R184 PolarHBondContact O-N 3.2Å; R184-K188 WeakPolarHBondContact O-CB 3.29Å; R184-K188 PolarHBondContact O-N 2.64Å
185	A	97.5	Very high	97	Very high	10 Å²	10	91.2 Å²	91.2	8%	0.083	45%	0.446	C	S	.	.	H	α-helix	trans	-64.9	-42.1	173.5	0	0	0	0	0	111.6	I179 K181 A182 G183 K188 Y189 W196	I179-A185 HydrophobicContact CG2-CB 4.25Å; K181-A185 PolarHBondContact O-N 2.99Å; A182-A185 WeakPolarHBondContact O-CA 3.46Å; A182-A185 WeakPolarHBondContact O-CB 3.48Å; A182-A185 PolarHBondContact O-N 2.73Å; G183-A185 VanDerWaalsContact C-N 3.35Å; G183-A185 PolarHBondContact O-N 3.45Å; A185-K188 WeakPolarHBondContact O-CB 3.49Å; A185-K188 PolarHBondContact O-N 3.3Å; A185-Y189 WeakPolarHBondContact O-CD2 3.28Å; A185-Y189 PolarHBondContact O-N 3.35Å; A185-W196 HydrophobicContact CB-CZ2 4.41Å
186	Y	98.1	Very high	97.1	Very high	100 Å²	100	90.3 Å²	90.3	39%	0.392	43%	0.431	S	S	.	.	H	α-helix	trans	-54.1	-55.4	174	170.4	-96.3	0	0	0	111.2	A182 G183 K188 Y189 K190 W196	A182-Y186 PolarHBondContact O-N 2.9Å; G183-Y186 WeakPolarHBondContact O-CB 3.42Å; G183-Y186 PolarHBondContact O-N 2.63Å; Y186-K188 VanDerWaalsContact C-N 3.29Å; Y186-K188 PolarHBondContact O-N 3.16Å; Y186-Y189 PolarHBondContact O-N 2.99Å; Y186-Y189 VanDerWaalsContact O-N 3.09Å; Y186-K190 HydrophobicContact CE1-CD 3.93Å; Y186-K190 WeakPolarHBondContact O-CB 3.44Å; Y186-K190 PolarHBondContact O-N 3.11Å; Y186-W196 HydrophobicContact CD2-CE3 4.28Å; Y186-W196 AromaticContact CD2-CZ3 3.96Å; Y186-W196 HydrophobicContact CD2-CZ3 3.96Å; Y186-W196 HydrophobicContact CG-CZ3 4.3Å
187	W	97.7	Very high	97.1	Very high	160 Å²	160	88.5 Å²	88.5	61%	0.606	43%	0.426	S	S	*	.	H	α-helix	trans	-64.4	-30.2	179.9	-68.6	115.1	0	0	0	113.3	G183 K190 P191	G183-W187 PolarHBondContact O-N 2.96Å; W187-K190 HydrophobicContact CE3-CD 3.5Å; W187-K190 HydrophobicContact CH2-CD 4.28Å; W187-K190 VanDerWaalsContact CH2-NZ 3.33Å; W187-K190 HydrophobicContact CZ3-CD 3.37Å; W187-P191 WeakPolarHBondContact O-CD 3.33Å
188	K	97.4	Very high	97.1	Very high	73 Å²	73	88.6 Å²	88.6	32%	0.317	42%	0.422	S	S	.	.	H	α-helix	trans	-65.6	-37.1	172.2	172.5	-176	176.1	-178.4	0	113.2	I179 R184 A185 Y186	I179-K188 HydrophobicContact CD1-CD 4.27Å; R184-K188 WeakPolarHBondContact O-CB 3.29Å; R184-K188 PolarHBondContact O-N 2.64Å; A185-K188 WeakPolarHBondContact O-CB 3.49Å; A185-K188 PolarHBondContact O-N 3.3Å; Y186-K188 VanDerWaalsContact C-N 3.29Å; Y186-K188 PolarHBondContact O-N 3.16Å
189	Y	97.7	Very high	97.1	Very high	56 Å²	56	88.2 Å²	88.2	22%	0.22	42%	0.419	C	S	.	.	H	α-helix	trans	-91.5	-22.6	-177.7	-74	-66.4	0	0	0	113.4	A185 Y186 K192 C195 W196	A185-Y189 WeakPolarHBondContact O-CD2 3.28Å; A185-Y189 PolarHBondContact O-N 3.35Å; Y186-Y189 PolarHBondContact O-N 2.99Å; Y186-Y189 VanDerWaalsContact O-N 3.09Å; Y189-K192 CarbonylContact O-C 3.53Å; Y189-K192 WeakPolarHBondContact O-CA 3.32Å; Y189-K192 PolarHBondContact O-N 3.44Å; Y189-C195 WeakPolarHBondContact CD1-SG 3.11Å; Y189-C195 WeakPolarHBondContact CE1-SG 3.27Å; Y189-W196 HydrophobicContact CD2-CB 3.36Å; Y189-W196 AromaticContact CD2-CD1 3.91Å; Y189-W196 AromaticContact CD2-CG 3.66Å; Y189-W196 HydrophobicContact CD2-CG 3.66Å; Y189-W196 HydrophobicContact CE2-CB 3.97Å; Y189-W196 AromaticContact CE2-CD1 3.89Å; Y189-W196 HydrophobicContact CE2-CG 4.1Å; Y189-W196 HydrophobicContact CG-CB 3.73Å; Y189-W196 HydrophobicContact CG-CG 4.47Å
190	K	96.7	Very high	97.1	Very high	95 Å²	95	91.8 Å²	91.8	41%	0.413	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-48.7	177.1	-168.8	178.7	-174.8	173.5	0	113.8	H19 Y186 W187 K192	H19-K190 PolarHBondContact ND1-O 3.47Å; Y186-K190 HydrophobicContact CE1-CD 3.93Å; Y186-K190 WeakPolarHBondContact O-CB 3.44Å; Y186-K190 PolarHBondContact O-N 3.11Å; W187-K190 HydrophobicContact CE3-CD 3.5Å; W187-K190 HydrophobicContact CH2-CD 4.28Å; W187-K190 VanDerWaalsContact CH2-NZ 3.33Å; W187-K190 HydrophobicContact CZ3-CD 3.37Å; K190-K192 PolarHBondContact O-N 2.97Å
191	P	96.5	Very high	97	Very high	41 Å²	41	85.8 Å²	85.8	27%	0.266	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	5.4	177.9	34.5	-38.1	0	0	0	113.9	P52 W187	P52-P191 HydrophobicContact CB-CB 4.23Å; W187-P191 WeakPolarHBondContact O-CD 3.33Å
192	K	96.7	Very high	97	Very high	61 Å²	61	80.2 Å²	80.2	27%	0.265	38%	0.377	S	S	.	.	S	Bend	trans	-111.5	-173.1	175.3	-60.6	-179.8	-177.5	-179.5	0	108.3	H19 G53 Y189 K190	H19-K192 PolarHBondContact ND1-O 3.28Å; G53-K192 VanDerWaalsContact O-CE 3.28Å; G53-K192 WeakPolarHBondContact O-CE 3.47Å; Y189-K192 CarbonylContact O-C 3.53Å; Y189-K192 WeakPolarHBondContact O-CA 3.32Å; Y189-K192 PolarHBondContact O-N 3.44Å; K190-K192 PolarHBondContact O-N 2.97Å
193	R	95.7	Very high	96.9	Very high	131 Å²	131	79.6 Å²	79.6	49%	0.494	37%	0.372	S	S	.	.			trans	-66.1	149.7	170.5	76.9	178.8	121.5	89.7	-3.8	111.6	C195	R193-C195 HydrophobicContact CG-CB 4.45Å; R193-C195 PolarHBondContact O-N 2.93Å; R193-C195 PolarHBondContact O-SG 3.35Å; R193-C195 VanDerWaalsContact O-SG 3.35Å
194	K	95.3	Very high	96.9	Very high	120 Å²	120	79.6 Å²	79.6	52%	0.522	36%	0.361	S	S	.	.	S	Bend	trans	-60.3	107.2	173.7	-170.5	174.2	-176.7	173.6	0	110.4	V15 F16	V15-K194 WeakPolarHBondContact O-CB 3.2Å; F16-K194 VanDerWaalsContact CD1-O 3.26Å; F16-K194 WeakPolarHBondContact CD1-O 3.26Å
195	C	94.3	Very high	96.8	Very high	17 Å²	17	78.7 Å²	78.7	12%	0.115	37%	0.366	C	S	.	.			trans	-144.3	11.9	178.5	61.3	0	0	0	0	113.3	Y189 R193 R198	Y189-C195 WeakPolarHBondContact CD1-SG 3.11Å; Y189-C195 WeakPolarHBondContact CE1-SG 3.27Å; R193-C195 HydrophobicContact CG-CB 4.45Å; R193-C195 PolarHBondContact O-N 2.93Å; R193-C195 PolarHBondContact O-SG 3.35Å; R193-C195 VanDerWaalsContact O-SG 3.35Å; C195-R198 WeakPolarHBondContact O-CG 3.3Å; C195-R198 PolarHBondContact O-NE 3.47Å; C195-R198 VanDerWaalsContact O-NE 3.11Å
196	W	97.5	Very high	96.7	Very high	84 Å²	84	82.6 Å²	82.6	32%	0.318	39%	0.39	S	S	.	.			trans	-140.9	142.6	177.1	-173	93.8	0	0	0	108.1	A182 A185 Y186 Y189	A182-W196 HydrophobicContact CB-CH2 4.32Å; A182-W196 HydrophobicContact CB-CZ2 4.06Å; A185-W196 HydrophobicContact CB-CZ2 4.41Å; Y186-W196 HydrophobicContact CD2-CE3 4.28Å; Y186-W196 AromaticContact CD2-CZ3 3.96Å; Y186-W196 HydrophobicContact CD2-CZ3 3.96Å; Y186-W196 HydrophobicContact CG-CZ3 4.3Å; Y189-W196 HydrophobicContact CD2-CB 3.36Å; Y189-W196 AromaticContact CD2-CD1 3.91Å; Y189-W196 AromaticContact CD2-CG 3.66Å; Y189-W196 HydrophobicContact CD2-CG 3.66Å; Y189-W196 HydrophobicContact CE2-CB 3.97Å; Y189-W196 AromaticContact CE2-CD1 3.89Å; Y189-W196 HydrophobicContact CE2-CG 4.1Å; Y189-W196 HydrophobicContact CG-CB 3.73Å; Y189-W196 HydrophobicContact CG-CG 4.47Å
197	P	97.5	Very high	96.5	Very high	89 Å²	89	81.2 Å²	81.2	58%	0.578	39%	0.392	S	S	*	.	S	Bend	cis	-68.1	167.9	-6.4	30	-35.3	0	0	0	112.6
198	R	96.9	Very high	96.5	Very high	156 Å²	156	75.4 Å²	75.4	59%	0.589	37%	0.373	S	S	*	.			trans	-118.3	101.3	178.5	-66	-176.5	-176	179.6	3.7	110.4	C195	C195-R198 WeakPolarHBondContact O-CG 3.3Å; C195-R198 PolarHBondContact O-NE 3.47Å; C195-R198 VanDerWaalsContact O-NE 3.11Å
199	V	97.3	Very high	96.4	Very high	79 Å²	79	73.4 Å²	73.4	48%	0.479	37%	0.365	S	S	.	.			trans	-64.6	134.4	168.9	-175.3	0	0	0	0	109.5	R6 A203 M204	R6-V199 PolarHBondContact NH1-O 3.47Å; V199-A203 HydrophobicContact CG1-CB 4.44Å; V199-M204 HydrophobicContact CB-CE 3.57Å; V199-M204 HydrophobicContact CG1-CE 3.54Å; V199-M204 HydrophobicContact CG1-CG 4.13Å
200	R	97.3	Very high	96.3	Very high	145 Å²	145	72.7 Å²	72.7	55%	0.547	37%	0.367	S	S	.	.			trans	-69.6	140.3	174.6	-65.2	-176	-69.8	119.9	2.7	109.2	V202 A203 Q217	R200-V202 HydrophobicContact CB-CG1 4.24Å; R200-V202 PolarHBondContact O-N 3.16Å; R200-A203 HydrophobicContact CB-CB 4.47Å; R200-A203 PolarHBondContact O-N 3Å; R200-A203 VanDerWaalsContact O-N 3.16Å; R200-Q217 VanDerWaalsContact NH2-OE1 3.12Å
201	G	96	Very high	96.3	Very high	14 Å²	14	69.3 Å²	69.3	14%	0.144	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-62.1	-31.3	-179.1	0	0	0	0	0	113.8	A203 M204 G212	G201-A203 VanDerWaalsContact C-N 3.29Å; G201-A203 PolarHBondContact O-N 3.39Å; G201-M204 WeakPolarHBondContact O-CB 3.48Å; G201-M204 PolarHBondContact O-N 3.24Å; G201-G212 WeakPolarHBondContact O-CA 3.44Å; G201-G212 PolarHBondContact O-N 3.34Å
202	V	97.3	Very high	96.1	Very high	24 Å²	24	68 Å²	68	15%	0.145	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-72.1	-19.1	178.1	71.9	0	0	0	0	114	R200 M204 F211 Q217	R200-V202 HydrophobicContact CB-CG1 4.24Å; R200-V202 PolarHBondContact O-N 3.16Å; V202-M204 PolarHBondContact O-N 2.82Å; V202-F211 WeakPolarHBondContact CA-O 3.33Å; V202-Q217 HydrophobicContact CG2-CB 3.81Å; V202-Q217 HydrophobicContact CG2-CG 4.37Å
203	A	96.2	Very high	95.9	Very high	51 Å²	51	66 Å²	66	42%	0.421	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-86.9	6	175.7	0	0	0	0	0	112.5	V199 R200 G201	V199-A203 HydrophobicContact CG1-CB 4.44Å; R200-A203 HydrophobicContact CB-CB 4.47Å; R200-A203 PolarHBondContact O-N 3Å; R200-A203 VanDerWaalsContact O-N 3.16Å; G201-A203 VanDerWaalsContact C-N 3.29Å; G201-A203 PolarHBondContact O-N 3.39Å
204	M	97.1	Very high	95.7	Very high	41 Å²	41	62.6 Å²	62.6	20%	0.202	35%	0.349	C	S	.	.	S	Bend	trans	-104.9	165.1	179.2	-56.1	-179.4	174.3	0	0	109.7	V199 G201 V202 D208 H209 G212 G213	V199-M204 HydrophobicContact CB-CE 3.57Å; V199-M204 HydrophobicContact CG1-CE 3.54Å; V199-M204 HydrophobicContact CG1-CG 4.13Å; G201-M204 WeakPolarHBondContact O-CB 3.48Å; G201-M204 PolarHBondContact O-N 3.24Å; V202-M204 PolarHBondContact O-N 2.82Å; M204-D208 HydrophobicContact CB-CB 3.91Å; M204-D208 HydrophobicContact SD-CB 4.33Å; M204-H209 HydrophobicContact CB-CB 4.14Å; M204-H209 HydrophobicContact SD-CB 3.83Å; M204-G212 CarbonylContact O-C 3.32Å; M204-G212 WeakPolarHBondContact O-CA 3.41Å; M204-G213 PolarHBondContact O-N 3Å
205	N	96	Very high	95.7	Very high	105 Å²	105	65 Å²	65	56%	0.561	37%	0.368	S	S	*	.			trans	-73.1	160.3	172.1	-66.5	-28	0	0	0	111	V207 D208 H209	N205-V207 HydrophobicContact CB-CG1 3.87Å; N205-V207 PolarHBondContact O-N 3.44Å; N205-V207 VanDerWaalsContact O-N 3.09Å; N205-D208 PolarHBondContact O-N 3.29Å; N205-H209 PolarHBondContact O-N 3.29Å
206	P	94.5	Very high	95.7	Very high	93 Å²	93	71.3 Å²	71.3	60%	0.604	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-32.5	176.5	-24.3	31.3	0	0	0	113.4	D208 G212	P206-D208 VanDerWaalsContact C-N 3.29Å; P206-D208 PolarHBondContact O-N 3.44Å; P206-G212 WeakPolarHBondContact CA-O 3.07Å
207	V	95.8	Very high	95.7	Very high	71 Å²	71	73.2 Å²	73.2	43%	0.43	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-29.4	179.3	68.4	0	0	0	0	112.9	R3 N205	R3-V207 HydrophobicContact CB-CG2 4.12Å; R3-V207 WeakPolarHBondContact CB-O 3.45Å; R3-V207 PolarHBondContact N-O 3.47Å; N205-V207 HydrophobicContact CB-CG1 3.87Å; N205-V207 PolarHBondContact O-N 3.44Å; N205-V207 VanDerWaalsContact O-N 3.09Å
208	D	95.8	Very high	95.6	Very high	37 Å²	37	74.4 Å²	74.4	20%	0.198	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-24.6	-173.1	-68.4	-57.8	0	0	0	113.4	R3 I5 M204 N205 P206	R3-D208 WeakPolarHBondContact CD-OD1 3.5Å; R3-D208 IonicContact CZ-OD1 2.91Å; R3-D208 IonicContact NE-OD1 3.11Å; R3-D208 IonicContact NH1-OD1 3.91Å; R3-D208 PolarHBondContact NH1-OD1 3.16Å; I5-D208 WeakPolarHBondContact CG2-O 3.08Å; M204-D208 HydrophobicContact CB-CB 3.91Å; M204-D208 HydrophobicContact SD-CB 4.33Å; N205-D208 PolarHBondContact O-N 3.29Å; P206-D208 VanDerWaalsContact C-N 3.29Å; P206-D208 PolarHBondContact O-N 3.44Å
209	H	96.3	Very high	95.6	Very high	32 Å²	32	70.3 Å²	70.3	15%	0.148	39%	0.394	C	S	.	.			trans	-155.6	141.7	-179.6	-160.9	-83.7	0	0	0	112.7	M204 N205 F211 G212	M204-H209 HydrophobicContact CB-CB 4.14Å; M204-H209 HydrophobicContact SD-CB 3.83Å; N205-H209 PolarHBondContact O-N 3.29Å; H209-F211 AromaticContact CE1-CD2 3.44Å; H209-F211 VanDerWaalsContact CE1-CD2 3.44Å; H209-F211 WeakPolarHBondContact CE1-CD2 3.44Å; H209-F211 AromaticContact CE1-CG 3.76Å; H209-F211 WeakPolarHBondContact ND1-CB 3.15Å; H209-F211 AromaticContact ND1-CD2 3.83Å; H209-F211 AromaticContact ND1-CG 3.7Å; H209-F211 PolarHBondContact ND1-N 3.06Å; H209-F211 VanDerWaalsContact ND1-N 3.15Å; H209-F211 PolarHBondContact O-N 3.46Å; H209-G212 PolarHBondContact O-N 3.1Å
210	P	95.6	Very high	95.4	Very high	40 Å²	40	69.4 Å²	69.4	26%	0.26	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-7	177	-22.9	29.7	0	0	0	116.6	K221 G232 V235	P210-K221 WeakPolarHBondContact O-CE 3.46Å; P210-K221 PolarHBondContact O-NZ 2.98Å; P210-G232 VanDerWaalsContact CG-O 3.29Å; P210-G232 WeakPolarHBondContact CG-O 3.39Å; P210-V235 HydrophobicContact CB-CG2 3.91Å; P210-V235 HydrophobicContact CG-CG1 4.13Å; P210-V235 HydrophobicContact CG-CG2 3.89Å
211	F	96	Very high	95.3	Very high	24 Å²	24	68 Å²	68	11%	0.105	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-1.3	178	-61.1	-24.8	0	0	0	111.4	V202 H209 I219 V235	V202-F211 WeakPolarHBondContact CA-O 3.33Å; H209-F211 AromaticContact CE1-CD2 3.44Å; H209-F211 VanDerWaalsContact CE1-CD2 3.44Å; H209-F211 WeakPolarHBondContact CE1-CD2 3.44Å; H209-F211 AromaticContact CE1-CG 3.76Å; H209-F211 WeakPolarHBondContact ND1-CB 3.15Å; H209-F211 AromaticContact ND1-CD2 3.83Å; H209-F211 AromaticContact ND1-CG 3.7Å; H209-F211 PolarHBondContact ND1-N 3.06Å; H209-F211 VanDerWaalsContact ND1-N 3.15Å; H209-F211 PolarHBondContact O-N 3.46Å; F211-I219 HydrophobicContact CD1-CG2 3.52Å; F211-I219 HydrophobicContact CE1-CG2 3.6Å; F211-I219 HydrophobicContact CG-CG2 4.09Å; F211-I219 HydrophobicContact CZ-CG2 4.24Å; F211-V235 HydrophobicContact CD1-CG2 4.22Å; F211-V235 HydrophobicContact CE1-CG2 3.68Å; F211-V235 HydrophobicContact CE2-CB 4.19Å; F211-V235 HydrophobicContact CE2-CG2 4.05Å; F211-V235 HydrophobicContact CZ-CB 4.14Å; F211-V235 HydrophobicContact CZ-CG2 3.58Å
212	G	93.7	Very high	95.3	Very high	13 Å²	13	72 Å²	72	13%	0.134	42%	0.422	C	S	.	.			trans	-85.4	159.8	-175.9	0	0	0	0	0	112.7	G201 M204 P206 H209	G201-G212 WeakPolarHBondContact O-CA 3.44Å; G201-G212 PolarHBondContact O-N 3.34Å; M204-G212 CarbonylContact O-C 3.32Å; M204-G212 WeakPolarHBondContact O-CA 3.41Å; P206-G212 WeakPolarHBondContact CA-O 3.07Å; H209-G212 PolarHBondContact O-N 3.1Å
213	G	92.7	Very high	95.2	Very high	20 Å²	20	72.7 Å²	72.7	21%	0.206	43%	0.428	C	S	.	.			trans	89.8	-165.8	179.9	0	0	0	0	0	115.5	M204	M204-G213 PolarHBondContact O-N 3Å
214	G	91	Very high	95.3	Very high	60 Å²	60	73.4 Å²	73.4	62%	0.619	43%	0.427	S	S	*	.	S	Bend	trans	80.3	157.2	-169.4	0	0	0	0	0	112.6	H216	G214-H216 PolarHBondContact O-N 3.1Å
215	N	94.7	Very high	95.3	Very high	171 Å²	171	72.6 Å²	72.6	91%	0.914	43%	0.425	S	S	*	.	S	Bend	trans	-74.5	-15.5	174.3	-65.3	-7.5	0	0	0	112.1
216	H	95.4	Very high	95.3	Very high	149 Å²	149	75.5 Å²	75.5	69%	0.69	43%	0.428	S	S	*	.	S	Bend	trans	-125.1	137	173.2	-71.2	83.5	0	0	0	110.1	G214 H218	G214-H216 PolarHBondContact O-N 3.1Å; H216-H218 PolarHBondContact O-N 3.28Å; H216-H218 PolarHBondContact O-ND1 3.27Å
217	Q	96.1	Very high	95.4	Very high	124 Å²	124	80 Å²	80	58%	0.579	43%	0.433	S	S	*	.			trans	-71.3	96.5	178.4	-72.1	-171.4	11.7	0	0	111.4	R200 V202	R200-Q217 VanDerWaalsContact NH2-OE1 3.12Å; V202-Q217 HydrophobicContact CG2-CB 3.81Å; V202-Q217 HydrophobicContact CG2-CG 4.37Å
218	H	96.4	Very high	95.5	Very high	114 Å²	114	81.3 Å²	81.3	53%	0.528	44%	0.437	S	S	.	.			trans	-147.7	166	173.6	71.3	-64.3	0	0	0	110.5	H216 G220	H216-H218 PolarHBondContact O-N 3.28Å; H216-H218 PolarHBondContact O-ND1 3.27Å; H218-G220 VanDerWaalsContact CD2-CA 3.44Å; H218-G220 WeakPolarHBondContact CD2-CA 2.92Å; H218-G220 PolarHBondContact CD2-N 3.26Å; H218-G220 VanDerWaalsContact CD2-N 3.27Å
219	I	96.3	Very high	95.4	Very high	69 Å²	69	80 Å²	80	35%	0.354	43%	0.432	S	S	.	.			trans	-78.7	-31.7	-177.8	-61.3	-179.9	0	0	0	111.7	F211 K221	F211-I219 HydrophobicContact CD1-CG2 3.52Å; F211-I219 HydrophobicContact CE1-CG2 3.6Å; F211-I219 HydrophobicContact CG-CG2 4.09Å; F211-I219 HydrophobicContact CZ-CG2 4.24Å; I219-K221 HydrophobicContact CG2-CG 4.28Å; I219-K221 WeakPolarHBondContact CG2-O 3.49Å; I219-K221 PolarHBondContact O-N 3.12Å
220	G	93.8	Very high	95.4	Very high	61 Å²	61	81.8 Å²	81.8	63%	0.629	45%	0.448	S	S	*	.			trans	71.5	-9.9	179	0	0	0	0	0	115.9	H218	H218-G220 VanDerWaalsContact CD2-CA 3.44Å; H218-G220 WeakPolarHBondContact CD2-CA 2.92Å; H218-G220 PolarHBondContact CD2-N 3.26Å; H218-G220 VanDerWaalsContact CD2-N 3.27Å
221	K	94	Very high	95.4	Very high	114 Å²	114	83 Å²	83	50%	0.496	46%	0.461	S	S	.	.	S	Bend	trans	-150.6	166.8	-178.9	63.9	-168.7	166.7	-151.9	0	111.4	P210 I219 S223	P210-K221 WeakPolarHBondContact O-CE 3.46Å; P210-K221 PolarHBondContact O-NZ 2.98Å; I219-K221 HydrophobicContact CG2-CG 4.28Å; I219-K221 WeakPolarHBondContact CG2-O 3.49Å; I219-K221 PolarHBondContact O-N 3.12Å; K221-S223 PolarHBondContact O-N 3.09Å
222	P	96	Very high	95.3	Very high	99 Å²	99	82.9 Å²	82.9	64%	0.643	47%	0.467	S	S	*	.			trans	-53.4	128.8	175.1	-28	36.6	0	0	0	111.9	T224	P222-T224 VanDerWaalsContact C-N 3.26Å
223	S	96.8	Very high	95.3	Very high	38 Å²	38	91 Å²	91	27%	0.266	49%	0.494	S	S	.	.	S	Bend	trans	-81.5	-8.6	178.2	66	0	0	0	0	113	K221 G236 L237	K221-S223 PolarHBondContact O-N 3.09Å; S223-G236 CarbonylContact O-C 3.57Å; S223-G236 WeakPolarHBondContact O-CA 3.12Å; S223-L237 PolarHBondContact O-N 3.29Å
224	T	97.2	Very high	95.5	Very high	67 Å²	67	94 Å²	94	41%	0.411	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.9	172.7	48.1	0	0	0	0	110.1	P222 L237 A240 T243	P222-T224 VanDerWaalsContact C-N 3.26Å; T224-L237 WeakPolarHBondContact CA-O 2.71Å; T224-L237 HydrophobicContact CG2-CB 4.36Å; T224-A240 HydrophobicContact CG2-CB 4.43Å; T224-T243 HydrophobicContact CG2-CG2 3.59Å
225	T	96.4	Very high	95.7	Very high	24 Å²	24	91.7 Å²	91.7	15%	0.147	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.1	-177.9	47.7	0	0	0	0	111.7	V235 L237 A239	T225-V235 WeakPolarHBondContact CG2-O 3.48Å; T225-V235 PolarHBondContact OG1-O 3.3Å; T225-L237 PolarHBondContact N-O 2.96Å; T225-L237 VanDerWaalsContact N-O 3.09Å; T225-A239 PolarHBondContact O-N 3.09Å
226	R	96.7	Very high	95.8	Very high	166 Å²	166	85.5 Å²	85.5	63%	0.626	45%	0.451	S	S	*	.			trans	-63	150.8	177.5	65.8	177.6	-151.6	-179.3	12.5	112.1	D228 A229	R226-D228 VanDerWaalsContact C-N 3.26Å; R226-D228 VanDerWaalsContact CB-OD1 3.31Å; R226-D228 WeakPolarHBondContact CB-OD1 3.12Å; R226-D228 WeakPolarHBondContact CD-OD1 3.41Å; R226-D228 WeakPolarHBondContact CG-OD1 3.39Å; R226-D228 IonicContact CZ-OD1 3.88Å; R226-D228 IonicContact CZ-OD2 2.89Å; R226-D228 VanDerWaalsContact NE-CG 3.3Å; R226-D228 IonicContact NE-OD1 3.52Å; R226-D228 PolarHBondContact NE-OD1 2.79Å; R226-D228 VanDerWaalsContact NE-OD1 3.11Å; R226-D228 IonicContact NE-OD2 2.82Å; R226-D228 PolarHBondContact NE-OD2 2.9Å; R226-D228 IonicContact NH1-OD2 3.69Å; R226-D228 IonicContact NH2-OD2 2.8Å; R226-D228 PolarHBondContact NH2-OD2 2.9Å; R226-D228 PolarHBondContact O-N 3.43Å; R226-A229 HydrophobicContact CG-CB 3.96Å; R226-A229 WeakPolarHBondContact O-CB 3.38Å; R226-A229 PolarHBondContact O-N 2.8Å
227	R	96.9	Very high	95.9	Very high	186 Å²	186	82.4 Å²	82.4	70%	0.702	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-34.3	-174.4	-178.9	171.7	-72.1	-118.5	-2.9	112.9	K234 A239	R227-K234 WeakPolarHBondContact O-CE 3.05Å; R227-K234 PolarHBondContact O-NZ 3.05Å; R227-A239 HydrophobicContact CB-CB 3.97Å
228	D	96.9	Very high	95.9	Very high	99 Å²	99	80.7 Å²	80.7	53%	0.529	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	7.2	-176.3	68.4	-50	0	0	0	113.2	R226	R226-D228 VanDerWaalsContact C-N 3.26Å; R226-D228 VanDerWaalsContact CB-OD1 3.31Å; R226-D228 WeakPolarHBondContact CB-OD1 3.12Å; R226-D228 WeakPolarHBondContact CD-OD1 3.41Å; R226-D228 WeakPolarHBondContact CG-OD1 3.39Å; R226-D228 IonicContact CZ-OD1 3.88Å; R226-D228 IonicContact CZ-OD2 2.89Å; R226-D228 VanDerWaalsContact NE-CG 3.3Å; R226-D228 IonicContact NE-OD1 3.52Å; R226-D228 PolarHBondContact NE-OD1 2.79Å; R226-D228 VanDerWaalsContact NE-OD1 3.11Å; R226-D228 IonicContact NE-OD2 2.82Å; R226-D228 PolarHBondContact NE-OD2 2.9Å; R226-D228 IonicContact NH1-OD2 3.69Å; R226-D228 IonicContact NH2-OD2 2.8Å; R226-D228 PolarHBondContact NH2-OD2 2.9Å; R226-D228 PolarHBondContact O-N 3.43Å
229	A	95.4	Very high	96	Very high	10 Å²	10	77 Å²	77	8%	0.083	42%	0.422	C	S	.	.			trans	-57.3	150.5	174.3	0	0	0	0	0	111.3	R226 R233 K234	R226-A229 HydrophobicContact CG-CB 3.96Å; R226-A229 WeakPolarHBondContact O-CB 3.38Å; R226-A229 PolarHBondContact O-N 2.8Å; A229-R233 HydrophobicContact CB-CB 4.1Å; A229-K234 HydrophobicContact CB-CG 3.89Å; A229-K234 WeakPolarHBondContact O-CE 3.31Å; A229-K234 WeakPolarHBondContact O-CG 3.44Å
230	S	95.8	Very high	95.9	Very high	69 Å²	69	75.8 Å²	75.8	48%	0.483	42%	0.423	S	S	.	.			trans	-66.2	162	178.7	64.2	0	0	0	0	112.4	G232 R233 K234	S230-G232 PolarHBondContact O-N 2.91Å; S230-G232 VanDerWaalsContact O-N 3.09Å; S230-R233 WeakPolarHBondContact O-CA 3.29Å; S230-R233 PolarHBondContact O-N 3.15Å; S230-R233 WeakPolarHBondContact OG-CG 3.17Å; S230-K234 PolarHBondContact O-N 2.83Å
231	A	94.8	Very high	96	Very high	66 Å²	66	83.3 Å²	83.3	55%	0.545	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.6	-171.1	0	0	0	0	0	115	Q8	Q8-A231 HydrophobicContact CG-CB 4.21Å
232	G	94.5	Very high	95.9	Very high	21 Å²	21	87.2 Å²	87.2	22%	0.216	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-19	174.7	0	0	0	0	0	114.1	P210 S230	P210-G232 VanDerWaalsContact CG-O 3.29Å; P210-G232 WeakPolarHBondContact CG-O 3.39Å; S230-G232 PolarHBondContact O-N 2.91Å; S230-G232 VanDerWaalsContact O-N 3.09Å
233	R	94.2	Very high	95.8	Very high	185 Å²	185	86.5 Å²	86.5	70%	0.698	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-17.8	-179.8	-68.8	-171.8	-179.8	-166.3	2.2	113.7	A229 S230 V235	A229-R233 HydrophobicContact CB-CB 4.1Å; S230-R233 WeakPolarHBondContact O-CA 3.29Å; S230-R233 PolarHBondContact O-N 3.15Å; S230-R233 WeakPolarHBondContact OG-CG 3.17Å; R233-V235 PolarHBondContact O-N 3.24Å
234	K	96.3	Very high	95.6	Very high	83 Å²	83	88.2 Å²	88.2	36%	0.361	46%	0.461	S	S	.	.			trans	-71.2	73	174.7	-69.4	-168.4	-162.1	-166.3	0	112.2	R227 A229 S230 I238	R227-K234 WeakPolarHBondContact O-CE 3.05Å; R227-K234 PolarHBondContact O-NZ 3.05Å; A229-K234 HydrophobicContact CB-CG 3.89Å; A229-K234 WeakPolarHBondContact O-CE 3.31Å; A229-K234 WeakPolarHBondContact O-CG 3.44Å; S230-K234 PolarHBondContact O-N 2.83Å; K234-I238 HydrophobicContact CB-CD1 4.12Å
235	V	95.9	Very high	95.3	Very high	10 Å²	10	96.2 Å²	96.2	6%	0.061	48%	0.484	C	S	.	.			trans	-124.1	164.1	174.6	-63.6	0	0	0	0	110.8	I5 P210 F211 T225 R233	I5-V235 HydrophobicContact CD1-CG1 3.71Å; P210-V235 HydrophobicContact CB-CG2 3.91Å; P210-V235 HydrophobicContact CG-CG1 4.13Å; P210-V235 HydrophobicContact CG-CG2 3.89Å; F211-V235 HydrophobicContact CD1-CG2 4.22Å; F211-V235 HydrophobicContact CE1-CG2 3.68Å; F211-V235 HydrophobicContact CE2-CB 4.19Å; F211-V235 HydrophobicContact CE2-CG2 4.05Å; F211-V235 HydrophobicContact CZ-CB 4.14Å; F211-V235 HydrophobicContact CZ-CG2 3.58Å; T225-V235 WeakPolarHBondContact CG2-O 3.48Å; T225-V235 PolarHBondContact OG1-O 3.3Å; R233-V235 PolarHBondContact O-N 3.24Å
236	G	96	Very high	95	Very high	42 Å²	42	99.1 Å²	99.1	43%	0.433	50%	0.497	S	S	.	.	S	Bend	trans	75.9	-139.2	-177.8	0	0	0	0	0	113.7	S223 I238	S223-G236 CarbonylContact O-C 3.57Å; S223-G236 WeakPolarHBondContact O-CA 3.12Å; G236-I238 PolarHBondContact O-N 2.75Å
237	L	97	Very high	94.6	Very high	84 Å²	84	102.6 Å²	102.6	44%	0.44	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	90.4	-177.2	-57.9	-179.8	0	0	0	109.8	S223 T224 T225 A239 A240 T243	S223-L237 PolarHBondContact O-N 3.29Å; T224-L237 WeakPolarHBondContact CA-O 2.71Å; T224-L237 HydrophobicContact CG2-CB 4.36Å; T225-L237 PolarHBondContact N-O 2.96Å; T225-L237 VanDerWaalsContact N-O 3.09Å; L237-A239 PolarHBondContact O-N 3.42Å; L237-A240 HydrophobicContact CB-CB 3.88Å; L237-T243 HydrophobicContact CD1-CG2 3.69Å
238	I	97.3	Very high	94.1	Very high	88 Å²	88	97.1 Å²	97.1	45%	0.451	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124	-173.4	-56.4	167.2	0	0	0	110.6	K234 G236 A240	K234-I238 HydrophobicContact CB-CD1 4.12Å; G236-I238 PolarHBondContact O-N 2.75Å; I238-A240 PolarHBondContact O-N 2.84Å; I238-A240 VanDerWaalsContact O-N 3.12Å
239	A	97	Very high	93.3	Very high	36 Å²	36	98.6 Å²	98.6	30%	0.298	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	34.9	178.1	0	0	0	0	0	113.1	T225 R227 L237 R241	T225-A239 PolarHBondContact O-N 3.09Å; R227-A239 HydrophobicContact CB-CB 3.97Å; L237-A239 PolarHBondContact O-N 3.42Å; A239-R241 PolarHBondContact O-N 3.09Å
240	A	96.1	Very high	92.3	Very high	43 Å²	43	106.4 Å²	106.4	36%	0.355	55%	0.552	S	S	.	*			trans	-67.5	119.5	-179.9	0	0	0	0	0	109.9	T224 L237 I238 R242 T243	T224-A240 HydrophobicContact CG2-CB 4.43Å; L237-A240 HydrophobicContact CB-CB 3.88Å; I238-A240 PolarHBondContact O-N 2.84Å; I238-A240 VanDerWaalsContact O-N 3.12Å; A240-R242 VanDerWaalsContact C-N 3.29Å; A240-T243 HydrophobicContact CB-CG2 4.42Å
241	R	94.2	Very high	90.6	Very high	220 Å²	220	108.1 Å²	108.1	83%	0.83	56%	0.56	S	S	*	*	S	Bend	trans	-75.4	-20.6	174.3	-65.1	-178.6	176.7	179.8	-2.9	112.9	A239	A239-R241 PolarHBondContact O-N 3.09Å
242	R	92.3	Very high	88.9	Confident	195 Å²	195	107.9 Å²	107.9	74%	0.736	55%	0.55	S	S	*	.			trans	-151.6	145.9	179.8	177.8	-179.7	-74.4	-179.1	-4	108.5	A240	A240-R242 VanDerWaalsContact C-N 3.29Å
243	T	93.8	Very high	86.9	Confident	85 Å²	85	116.6 Å²	116.6	52%	0.521	58%	0.576	S	S	.	*			trans	-119.5	171.8	169.2	61.2	0	0	0	0	109.8	T224 L237 A240	T224-T243 HydrophobicContact CG2-CG2 3.59Å; L237-T243 HydrophobicContact CD1-CG2 3.69Å; A240-T243 HydrophobicContact CB-CG2 4.42Å
244	G	92.6	Very high	84.8	Confident	73 Å²	73	112.7 Å²	112.7	75%	0.753	57%	0.565	S	S	*	*	S	Bend	trans	86.2	170.1	-177.6	0	0	0	0	0	114.5
245	R	91.7	Very high	82.3	Confident	235 Å²	235	117.5 Å²	117.5	89%	0.887	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-80.9	125.8	-179.7	-176.8	174.7	179.9	172.5	-0.8	109.7	R247	R245-R247 PolarHBondContact O-N 2.96Å
246	I	89.2	Confident	79.4	Confident	85 Å²	85	125.1 Å²	125.1	44%	0.436	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-66.5	125	169.3	-60.3	174.3	0	0	0	107.7
247	R	89.4	Confident	76.3	Confident	239 Å²	239	134.6 Å²	134.6	90%	0.902	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-100.7	129.6	167.1	-62.3	-173.9	-179.7	-168.4	0.3	107.1	R245	R245-R247 PolarHBondContact O-N 2.96Å
248	G	85.9	Confident	75.3	Confident	71 Å²	71	137.2 Å²	137.2	73%	0.732	67%	0.667	S	S	*	*	S	Bend	trans	88.3	-170	-170.5	0	0	0	0	0	114.2
249	T	80.8	Confident	74.1	Confident	131 Å²	131	139.7 Å²	139.7	80%	0.804	68%	0.679	S	S	*	*			trans	-85.4	138.9	-178.8	-56.6	0	0	0	0	110.3	T251	T249-T251 PolarHBondContact O-N 2.86Å
250	R	72.7	Confident	72.8	Confident	173 Å²	173	145.5 Å²	145.5	65%	0.653	70%	0.7	S	S	*	*			trans	-65.9	104.9	168.3	-179.9	177.8	138.5	-179.4	-8	108.1	D252	R250-D252 PolarHBondContact O-N 3.45Å
251	T	61.1	Low	71.5	Confident	106 Å²	106	151.5 Å²	151.5	65%	0.65	72%	0.72	S	S	*	*			trans	-65.5	121.4	169.1	39.6	0	0	0	0	108.3	T249 R253	T249-T251 PolarHBondContact O-N 2.86Å; T251-R253 PolarHBondContact O-N 3.27Å
252	D	58.2	Low	70	Confident	61 Å²	61	147.3 Å²	147.3	33%	0.326	71%	0.713	S	S	.	*			trans	-60.3	125.2	167.5	-76.7	-32.9	0	0	0	106.8	R149 R250 E254 K255	R149-D252 IonicContact NH2-OD2 3.16Å; R250-D252 PolarHBondContact O-N 3.45Å; D252-E254 PolarHBondContact O-N 3.06Å; D252-K255 PolarHBondContact O-N 2.91Å
253	R	53.2	Low	68.6	Low	203 Å²	203	144.1 Å²	144.1	77%	0.766	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-55.1	-19.1	-177	-83.5	-174.5	173.7	-166.1	-6.5	113.4	T251 K255	T251-R253 PolarHBondContact O-N 3.27Å; R253-K255 VanDerWaalsContact C-N 3.31Å; R253-K255 PolarHBondContact O-N 3.11Å
254	E	49.4	Very low	66.8	Low	103 Å²	103	148.3 Å²	148.3	48%	0.481	73%	0.726	S	S	.	*	G	3₁₀ helix	trans	-77.4	-4.4	176.7	-70.4	-179.2	-174.4	0	0	114.6	K155 D252 M256	K155-E254 WeakPolarHBondContact CD-OE2 3.03Å; K155-E254 VanDerWaalsContact CE-OE2 3.27Å; K155-E254 WeakPolarHBondContact CE-OE2 3.47Å; K155-E254 IonicContact NZ-OE2 3.88Å; K155-E254 PolarHBondContact NZ-OE2 2.78Å; D252-E254 PolarHBondContact O-N 3.06Å; E254-M256 PolarHBondContact O-N 2.8Å
255	K	44.9	Very low	64.8	Low	184 Å²	184	154.1 Å²	154.1	80%	0.8	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-80.1	2.5	169.9	-81.1	-166.3	173.3	-166.9	0	113.2	D252 R253	D252-K255 PolarHBondContact O-N 2.91Å; R253-K255 VanDerWaalsContact C-N 3.31Å; R253-K255 PolarHBondContact O-N 3.11Å
256	M	35.5	Very low	62.5	Low	171 Å²	171	147.3 Å²	147.3	84%	0.842	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-111.2	10.7	-179.4	-74.6	-177.8	162.3	0	0	113.3	E254	E254-M256 PolarHBondContact O-N 2.8Å
257	E	30.1	Very low	60.1	Low	241 Å²	241	153 Å²	153	100%	1.126	74%	0.735	S	S	*	*			trans	-127.8	0	165	-81.6	179.3	163.7	0	0	108.3

Retrieved 257 of 257 residues in 501.1 ms (Link to these results)

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