X6RL83_HUMAN Loading...

Cerebral endothelial cell adhesion molecule

AlphaFold DB , UniProt , Accession X6RL83, Species HUMAN (Homo sapiens, Human), Gene CERCAM, Length 218 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	73	Confident	87.2	Confident	188 Å²	188	98.4 Å²	98.4	93%	0.926	54%	0.537	S	S	*	.				0	-72	0	-157.7	-176	-71.3	0	0	113.3	E4 W5	M1-E4 WeakPolarHBondContact CA-OE2 3.45Å; M1-E4 PolarHBondContact N-OE2 2.98Å; M1-E4 PolarHBondContact O-N 3.39Å; M1-W5 PolarHBondContact O-N 3.02Å
2	L	81.6	Confident	87.7	Confident	90 Å²	90	101.6 Å²	101.6	47%	0.471	55%	0.553	S	S	.	*	H	α-helix	trans	-69.5	-38.4	-175	-151	91	0	0	0	113.8	E4 W5 L6 W18	L2-E4 VanDerWaalsContact C-N 3.31Å; L2-E4 PolarHBondContact O-N 3.27Å; L2-W5 PolarHBondContact O-N 3.48Å; L2-L6 WeakPolarHBondContact O-CB 3.42Å; L2-L6 WeakPolarHBondContact O-CG 3.39Å; L2-L6 PolarHBondContact O-N 2.86Å; L2-W18 HydrophobicContact CD2-CE3 3.89Å; L2-W18 HydrophobicContact CD2-CH2 3.15Å; L2-W18 HydrophobicContact CD2-CZ2 3.95Å; L2-W18 HydrophobicContact CD2-CZ3 3.1Å; L2-W18 HydrophobicContact CG-CH2 4.46Å
3	Q	84.6	Confident	87.8	Confident	137 Å²	137	103.3 Å²	103.3	64%	0.64	55%	0.548	S	S	*	.	H	α-helix	trans	-60.9	-39.7	172.3	-78.7	178.1	-26.5	0	0	112.5	L6 A7	Q3-L6 PolarHBondContact O-N 3.21Å; Q3-A7 WeakPolarHBondContact O-CB 3.34Å; Q3-A7 PolarHBondContact O-N 2.97Å
4	E	87.4	Confident	88	Confident	136 Å²	136	103.4 Å²	103.4	64%	0.636	57%	0.571	S	S	*	*	H	α-helix	trans	-69.9	-40	178	-64.6	157.8	154.3	0	0	111.1	M1 L2 A7 A8	M1-E4 WeakPolarHBondContact CA-OE2 3.45Å; M1-E4 PolarHBondContact N-OE2 2.98Å; M1-E4 PolarHBondContact O-N 3.39Å; L2-E4 VanDerWaalsContact C-N 3.31Å; L2-E4 PolarHBondContact O-N 3.27Å; E4-A7 PolarHBondContact O-N 2.6Å; E4-A8 PolarHBondContact O-N 2.95Å
5	W	86.3	Confident	88	Confident	122 Å²	122	100 Å²	100	46%	0.462	56%	0.561	S	S	.	*	H	α-helix	trans	-59.9	-48.5	172.6	178	80.6	0	0	0	110.9	M1 L2 A7 A8 V9 Y13	M1-W5 PolarHBondContact O-N 3.02Å; L2-W5 PolarHBondContact O-N 3.48Å; W5-A7 VanDerWaalsContact C-N 3.3Å; W5-A7 PolarHBondContact O-N 3.22Å; W5-A8 WeakPolarHBondContact O-CB 3.36Å; W5-A8 PolarHBondContact O-N 2.98Å; W5-V9 HydrophobicContact CD2-CG2 3.71Å; W5-V9 HydrophobicContact CE3-CG2 4.07Å; W5-V9 HydrophobicContact CG-CG2 4.32Å; W5-V9 HydrophobicContact CH2-CG2 3.8Å; W5-V9 HydrophobicContact CZ2-CG2 3.43Å; W5-V9 VanDerWaalsContact CZ2-CG2 3.43Å; W5-V9 HydrophobicContact CZ3-CG2 4.11Å; W5-V9 WeakPolarHBondContact O-CG2 3.24Å; W5-V9 PolarHBondContact O-N 3.47Å; W5-Y13 HydrophobicContact CH2-CE2 4.16Å
6	L	89.4	Confident	88.1	Confident	30 Å²	30	98 Å²	98	16%	0.157	55%	0.552	C	S	.	*	H	α-helix	trans	-60.2	-38	175.7	-75.3	178.1	0	0	0	112.7	L2 Q3 A8 G10 V16 W18	L2-L6 WeakPolarHBondContact O-CB 3.42Å; L2-L6 WeakPolarHBondContact O-CG 3.39Å; L2-L6 PolarHBondContact O-N 2.86Å; Q3-L6 PolarHBondContact O-N 3.21Å; L6-A8 PolarHBondContact O-N 3.26Å; L6-G10 WeakPolarHBondContact O-CA 3.4Å; L6-G10 PolarHBondContact O-N 3.4Å; L6-V16 HydrophobicContact CD1-CG1 4.35Å; L6-V16 HydrophobicContact CD2-CG1 3.71Å; L6-W18 HydrophobicContact CD1-CB 4.04Å; L6-W18 HydrophobicContact CD1-CD2 3.82Å; L6-W18 HydrophobicContact CD1-CE3 4.06Å; L6-W18 HydrophobicContact CD1-CG 3.81Å
7	A	90.4	Very high	88	Confident	85 Å²	85	97.1 Å²	97.1	70%	0.702	55%	0.549	S	S	*	.	H	α-helix	trans	-65.6	-28.3	174.6	0	0	0	0	0	112.6	Q3 E4 W5	Q3-A7 WeakPolarHBondContact O-CB 3.34Å; Q3-A7 PolarHBondContact O-N 2.97Å; E4-A7 PolarHBondContact O-N 2.6Å; W5-A7 VanDerWaalsContact C-N 3.3Å; W5-A7 PolarHBondContact O-N 3.22Å
8	A	92.1	Very high	87.9	Confident	80 Å²	80	98.3 Å²	98.3	66%	0.661	54%	0.543	S	S	*	.	H	α-helix	trans	-85.3	-34.7	-179.3	0	0	0	0	0	113.7	E4 W5 L6	E4-A8 PolarHBondContact O-N 2.95Å; W5-A8 WeakPolarHBondContact O-CB 3.36Å; W5-A8 PolarHBondContact O-N 2.98Å; L6-A8 PolarHBondContact O-N 3.26Å
9	V	91.6	Very high	87.7	Confident	33 Å²	33	100.9 Å²	100.9	20%	0.2	54%	0.544	C	S	.	.	H	α-helix	trans	-120.6	-2.8	-173.3	-54.2	0	0	0	0	114.3	W5 D11 D12 Y13	W5-V9 HydrophobicContact CD2-CG2 3.71Å; W5-V9 HydrophobicContact CE3-CG2 4.07Å; W5-V9 HydrophobicContact CG-CG2 4.32Å; W5-V9 HydrophobicContact CH2-CG2 3.8Å; W5-V9 HydrophobicContact CZ2-CG2 3.43Å; W5-V9 VanDerWaalsContact CZ2-CG2 3.43Å; W5-V9 HydrophobicContact CZ3-CG2 4.11Å; W5-V9 WeakPolarHBondContact O-CG2 3.24Å; W5-V9 PolarHBondContact O-N 3.47Å; V9-D11 PolarHBondContact O-N 3.45Å; V9-D12 VanDerWaalsContact O-CB 3.31Å; V9-D12 WeakPolarHBondContact O-CB 3.38Å; V9-D12 PolarHBondContact O-N 3.41Å; V9-Y13 HydrophobicContact CB-CE2 4.41Å; V9-Y13 HydrophobicContact CG2-CE2 3.89Å; V9-Y13 VanDerWaalsContact O-CD2 3.27Å; V9-Y13 WeakPolarHBondContact O-CD2 3.27Å
10	G	89.6	Confident	87.2	Confident	16 Å²	16	99.7 Å²	99.7	17%	0.165	54%	0.542	C	S	.	.	G	3₁₀ helix	trans	-57.6	-35.2	-173.9	0	0	0	0	0	113.2	L6 D12 Y13	L6-G10 WeakPolarHBondContact O-CA 3.4Å; L6-G10 PolarHBondContact O-N 3.4Å; G10-D12 PolarHBondContact O-N 3.4Å; G10-Y13 PolarHBondContact O-N 2.98Å; G10-Y13 VanDerWaalsContact O-N 3.14Å
11	D	93.3	Very high	86.4	Confident	165 Å²	165	99.6 Å²	99.6	88%	0.882	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-70	-15.2	179	-65.1	-24.3	0	0	0	113.4	V9 Y13	V9-D11 PolarHBondContact O-N 3.45Å; D11-Y13 PolarHBondContact O-N 2.83Å
12	D	92.8	Very high	86.3	Confident	137 Å²	137	94.2 Å²	94.2	73%	0.733	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-76.8	-12.3	173.6	-63.7	-33.1	0	0	0	112.2	V9 G10	V9-D12 VanDerWaalsContact O-CB 3.31Å; V9-D12 WeakPolarHBondContact O-CB 3.38Å; V9-D12 PolarHBondContact O-N 3.41Å; G10-D12 PolarHBondContact O-N 3.4Å
13	Y	89.9	Confident	85.9	Confident	124 Å²	124	97.9 Å²	97.9	49%	0.486	55%	0.545	S	S	.	.	S	Bend	trans	-103.9	141.9	-178.8	-63.8	-91	0	0	0	111.5	W5 V9 G10 D11 A15 V16	W5-Y13 HydrophobicContact CH2-CE2 4.16Å; V9-Y13 HydrophobicContact CB-CE2 4.41Å; V9-Y13 HydrophobicContact CG2-CE2 3.89Å; V9-Y13 VanDerWaalsContact O-CD2 3.27Å; V9-Y13 WeakPolarHBondContact O-CD2 3.27Å; G10-Y13 PolarHBondContact O-N 2.98Å; G10-Y13 VanDerWaalsContact O-N 3.14Å; D11-Y13 PolarHBondContact O-N 2.83Å; Y13-A15 PolarHBondContact O-N 3.43Å; Y13-V16 HydrophobicContact CD2-CG2 4.29Å; Y13-V16 HydrophobicContact CG-CG2 4.25Å
14	A	89.6	Confident	85.5	Confident	105 Å²	105	95.6 Å²	95.6	87%	0.868	54%	0.542	S	S	*	.	S	Bend	trans	-60.7	-32.5	175.3	0	0	0	0	0	112.8
15	A	88.3	Confident	85.1	Confident	52 Å²	52	95.3 Å²	95.3	43%	0.43	54%	0.536	S	S	.	.			trans	-158.3	145.9	171.9	0	0	0	0	0	109.8	Y13 W58	Y13-A15 PolarHBondContact O-N 3.43Å; A15-W58 HydrophobicContact CB-CH2 4.08Å; A15-W58 HydrophobicContact CB-CZ2 4.33Å
16	V	89	Confident	85	Confident	68 Å²	68	97.5 Å²	97.5	41%	0.412	55%	0.549	S	S	.	.			trans	-121.3	122	170.9	177.1	0	0	0	0	108.4	L6 Y13 W18	L6-V16 HydrophobicContact CD1-CG1 4.35Å; L6-V16 HydrophobicContact CD2-CG1 3.71Å; Y13-V16 HydrophobicContact CD2-CG2 4.29Å; Y13-V16 HydrophobicContact CG-CG2 4.25Å; V16-W18 HydrophobicContact CG1-CB 4.46Å
17	V	87.5	Confident	84.9	Confident	83 Å²	83	97.7 Å²	97.7	50%	0.503	55%	0.548	S	S	.	.			trans	-104.6	104	170	-178.6	0	0	0	0	107.8	R19 F54	V17-R19 HydrophobicContact CG1-CG 4.29Å; V17-F54 HydrophobicContact CG2-CE2 3.97Å; V17-F54 HydrophobicContact CG2-CZ 3.86Å
18	W	85.9	Confident	84.6	Confident	118 Å²	118	97.7 Å²	97.7	45%	0.447	54%	0.54	S	S	.	.			trans	-105.1	126	178	178.4	-120.6	0	0	0	110.4	L2 L6 V16 P20	L2-W18 HydrophobicContact CD2-CE3 3.89Å; L2-W18 HydrophobicContact CD2-CH2 3.15Å; L2-W18 HydrophobicContact CD2-CZ2 3.95Å; L2-W18 HydrophobicContact CD2-CZ3 3.1Å; L2-W18 HydrophobicContact CG-CH2 4.46Å; L6-W18 HydrophobicContact CD1-CB 4.04Å; L6-W18 HydrophobicContact CD1-CD2 3.82Å; L6-W18 HydrophobicContact CD1-CE3 4.06Å; L6-W18 HydrophobicContact CD1-CG 3.81Å; V16-W18 HydrophobicContact CG1-CB 4.46Å; W18-P20 HydrophobicContact CZ2-CB 3.7Å; W18-P20 HydrophobicContact CZ2-CG 4.48Å
19	R	83.1	Confident	84.3	Confident	148 Å²	148	101.1 Å²	101.1	56%	0.558	55%	0.548	S	S	*	.			trans	-131.3	80	179.3	-63.3	-174.1	-174.3	-174.2	7.9	109.5	V17 E21 E50	V17-R19 HydrophobicContact CG1-CG 4.29Å; R19-E21 PolarHBondContact O-N 3.08Å; R19-E50 IonicContact CZ-OE1 3.37Å; R19-E50 IonicContact CZ-OE2 2.98Å; R19-E50 IonicContact NH1-OE1 3.63Å; R19-E50 PolarHBondContact NH1-OE1 3.24Å; R19-E50 IonicContact NH1-OE2 3.07Å; R19-E50 PolarHBondContact NH1-OE2 3.37Å; R19-E50 IonicContact NH2-OE1 3.78Å; R19-E50 PolarHBondContact NH2-OE1 3.14Å
20	P	78.8	Confident	84.1	Confident	77 Å²	77	101.5 Å²	101.5	50%	0.5	55%	0.547	S	S	.	.			trans	-66.7	126.8	177	26.9	-27.7	0	0	0	108.3	W18	W18-P20 HydrophobicContact CZ2-CB 3.7Å; W18-P20 HydrophobicContact CZ2-CG 4.48Å
21	E	70.9	Confident	84	Confident	98 Å²	98	106.9 Å²	106.9	46%	0.458	57%	0.568	S	S	.	*			trans	-75.2	144.4	157.4	-65.9	-152.2	133.9	0	0	108.9	R19 R25 F43	R19-E21 PolarHBondContact O-N 3.08Å; E21-R25 IonicContact OE1-CZ 2.71Å; E21-R25 IonicContact OE1-NE 3.78Å; E21-R25 PolarHBondContact OE1-NE 3.39Å; E21-R25 IonicContact OE1-NH2 2.63Å; E21-R25 PolarHBondContact OE1-NH2 2.66Å; E21-R25 IonicContact OE2-NE 2.83Å; E21-R25 PolarHBondContact OE2-NE 2.74Å; E21-F43 VanDerWaalsContact OE1-CZ 3.28Å; E21-F43 WeakPolarHBondContact OE1-CZ 3.4Å
22	G	70.9	Confident	83.6	Confident	75 Å²	75	99.7 Å²	99.7	77%	0.773	53%	0.533	S	S	*	.			trans	-74.7	-109.2	176	0	0	0	0	0	110.8
23	E	73.4	Confident	83.3	Confident	167 Å²	167	96.2 Å²	96.2	78%	0.78	52%	0.518	S	S	*	.	S	Bend	trans	-68.2	147.8	179.7	-67.2	-61.4	150.4	0	0	112.4	R25	E23-R25 PolarHBondContact O-N 2.87Å
24	P	74.5	Confident	83.2	Confident	89 Å²	89	91.9 Å²	91.9	58%	0.578	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-52.9	134.5	174	-24.2	33.2	0	0	0	111.9	F26	P24-F26 HydrophobicContact CB-CE2 4.43Å; P24-F26 WeakPolarHBondContact O-CD2 3.07Å
25	R	80.5	Confident	83.2	Confident	130 Å²	130	89.3 Å²	89.3	49%	0.491	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-78.8	127.8	171.5	-66.8	-174.5	-175.2	-154.4	-1	109.9	E21 E23 Y27	E21-R25 IonicContact OE1-CZ 2.71Å; E21-R25 IonicContact OE1-NE 3.78Å; E21-R25 PolarHBondContact OE1-NE 3.39Å; E21-R25 IonicContact OE1-NH2 2.63Å; E21-R25 PolarHBondContact OE1-NH2 2.66Å; E21-R25 IonicContact OE2-NE 2.83Å; E21-R25 PolarHBondContact OE2-NE 2.74Å; E23-R25 PolarHBondContact O-N 2.87Å; R25-Y27 HydrophobicContact CB-CE2 4.32Å
26	F	84.1	Confident	83.4	Confident	168 Å²	168	92.5 Å²	92.5	74%	0.737	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-98.5	134	169.4	-62.7	-94.1	0	0	0	109.1	P24 E30	P24-F26 HydrophobicContact CB-CE2 4.43Å; P24-F26 WeakPolarHBondContact O-CD2 3.07Å; F26-E30 WeakPolarHBondContact CA-OE1 3.25Å; F26-E30 WeakPolarHBondContact CD1-OE1 3.27Å
27	Y	86.1	Confident	83.5	Confident	34 Å²	34	89.8 Å²	89.8	13%	0.133	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-99.7	148.6	177	-62.9	-86.2	0	0	0	111.3	R25 D29 E30 T37 E39 R40 F43	R25-Y27 HydrophobicContact CB-CE2 4.32Å; Y27-D29 PolarHBondContact O-N 3.24Å; Y27-E30 WeakPolarHBondContact CD2-OE2 3.19Å; Y27-E30 VanDerWaalsContact N-CD 3.29Å; Y27-E30 PolarHBondContact N-OE2 3.08Å; Y27-E30 WeakPolarHBondContact O-CG 3.47Å; Y27-E30 PolarHBondContact O-N 3.25Å; Y27-T37 WeakPolarHBondContact CB-OG1 3.31Å; Y27-E39 HydrophobicContact CD1-CB 3.48Å; Y27-E39 VanDerWaalsContact CD1-CB 3.48Å; Y27-E39 HydrophobicContact CE1-CB 4.01Å; Y27-E39 HydrophobicContact CG-CB 4.43Å; Y27-R40 HydrophobicContact CD1-CB 4.42Å; Y27-R40 HydrophobicContact CD2-CB 3.98Å; Y27-R40 HydrophobicContact CD2-CG 4.23Å; Y27-R40 HydrophobicContact CE1-CB 4.27Å; Y27-R40 HydrophobicContact CE2-CB 3.84Å; Y27-R40 HydrophobicContact CE2-CG 3.74Å; Y27-R40 HydrophobicContact CG-CB 4.26Å; Y27-F43 HydrophobicContact CE1-CB 4.43Å; Y27-F43 WeakPolarHBondContact OH-CB 3.34Å; Y27-F43 WeakPolarHBondContact OH-CD1 3.32Å; Y27-F43 WeakPolarHBondContact OH-CG 3.45Å
28	P	85.4	Confident	83.8	Confident	85 Å²	85	91.6 Å²	91.6	55%	0.552	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	138.4	171.6	-24.6	34.5	0	0	0	111.1	E30	P28-E30 PolarHBondContact O-N 3.47Å; P28-E30 VanDerWaalsContact O-N 3.13Å
29	D	84.3	Confident	84.2	Confident	152 Å²	152	90.2 Å²	90.2	81%	0.813	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	16.3	176.9	-49.3	-45.4	0	0	0	115.6	Y27 E31 H35	Y27-D29 PolarHBondContact O-N 3.24Å; D29-E31 PolarHBondContact O-N 3.11Å; D29-H35 PolarHBondContact O-ND1 3.13Å
30	E	88.3	Confident	84.6	Confident	40 Å²	40	84.6 Å²	84.6	19%	0.187	43%	0.434	C	S	.	.			trans	-70.8	133.2	174.6	78.5	-179	-166.4	0	0	111.6	F26 Y27 P28 G32 H35 T37 R40	F26-E30 WeakPolarHBondContact CA-OE1 3.25Å; F26-E30 WeakPolarHBondContact CD1-OE1 3.27Å; Y27-E30 WeakPolarHBondContact CD2-OE2 3.19Å; Y27-E30 VanDerWaalsContact N-CD 3.29Å; Y27-E30 PolarHBondContact N-OE2 3.08Å; Y27-E30 WeakPolarHBondContact O-CG 3.47Å; Y27-E30 PolarHBondContact O-N 3.25Å; P28-E30 PolarHBondContact O-N 3.47Å; P28-E30 VanDerWaalsContact O-N 3.13Å; E30-G32 VanDerWaalsContact C-N 3.27Å; E30-H35 HydrophobicContact CB-CB 4.41Å; E30-T37 HydrophobicContact CB-CG2 4.07Å; E30-R40 IonicContact OE2-CZ 2.62Å; E30-R40 IonicContact OE2-NH2 2.67Å; E30-R40 PolarHBondContact OE2-NH2 3.22Å
31	E	86.4	Confident	85.4	Confident	129 Å²	129	81.8 Å²	81.8	60%	0.603	41%	0.414	S	S	*	.			trans	-81.4	-16.2	177	-64.7	179.7	168	0	0	111.2	D29 H35 S198	D29-E31 PolarHBondContact O-N 3.11Å; E31-H35 HydrophobicContact CB-CB 4.34Å; E31-H35 PolarHBondContact N-ND1 3.32Å; E31-S198 PolarHBondContact OE2-OG 3.03Å
32	G	86.4	Confident	86.6	Confident	15 Å²	15	79.9 Å²	79.9	16%	0.155	41%	0.406	C	S	.	.	S	Bend	trans	168.1	-178.8	-176.2	0	0	0	0	0	112.8	E30 K34 H35 R40	E30-G32 VanDerWaalsContact C-N 3.27Å; G32-K34 PolarHBondContact O-N 3.21Å; G32-H35 PolarHBondContact O-N 3.38Å; G32-H35 VanDerWaalsContact O-N 3.09Å; G32-R40 PolarHBondContact O-NH2 3.44Å
33	P	86.1	Confident	87.7	Confident	63 Å²	63	77.9 Å²	77.9	41%	0.409	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-7.1	-174.9	28.3	-35.7	0	0	0	113.5	R40 L202	P33-R40 VanDerWaalsContact C-NH1 3.32Å; P33-R40 PolarHBondContact O-NH1 3.01Å; P33-L202 HydrophobicContact CB-CD2 4.12Å; P33-L202 HydrophobicContact CB-CG 4.22Å; P33-L202 HydrophobicContact CG-CD2 4.31Å; P33-L202 HydrophobicContact CG-CG 4.05Å
34	K	88.2	Confident	88.7	Confident	34 Å²	34	71.9 Å²	71.9	15%	0.148	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	3	178.3	-54.7	-59.6	-60.1	-178.4	0	113.3	G32 W36 V196 Q200 L202 E205	G32-K34 PolarHBondContact O-N 3.21Å; K34-W36 PolarHBondContact O-N 3.29Å; K34-V196 HydrophobicContact CB-CG2 3.97Å; K34-V196 HydrophobicContact CD-CG2 3.93Å; K34-V196 HydrophobicContact CG-CG2 3.51Å; K34-Q200 VanDerWaalsContact CG-O 3.28Å; K34-Q200 WeakPolarHBondContact CG-O 3.46Å; K34-L202 HydrophobicContact CD-CD2 4.41Å; K34-E205 WeakPolarHBondContact CD-OE2 3.34Å; K34-E205 WeakPolarHBondContact CE-OE2 3.28Å; K34-E205 IonicContact NZ-OE1 2.87Å; K34-E205 PolarHBondContact NZ-OE1 3.46Å; K34-E205 IonicContact NZ-OE2 3.12Å; K34-E205 PolarHBondContact NZ-OE2 2.9Å
35	H	89.7	Confident	89.8	Confident	50 Å²	50	67.6 Å²	67.6	23%	0.231	32%	0.321	C	S	.	.			trans	-78.1	117.7	172.1	-171.4	-168.5	0	0	0	110.4	D29 E30 E31 G32 T37 R40	D29-H35 PolarHBondContact O-ND1 3.13Å; E30-H35 HydrophobicContact CB-CB 4.41Å; E31-H35 HydrophobicContact CB-CB 4.34Å; E31-H35 PolarHBondContact N-ND1 3.32Å; G32-H35 PolarHBondContact O-N 3.38Å; G32-H35 VanDerWaalsContact O-N 3.09Å; H35-T37 PolarHBondContact O-N 3.14Å; H35-R40 PolarHBondContact O-NE 2.83Å; H35-R40 PolarHBondContact O-NH1 3.44Å; H35-R40 VanDerWaalsContact O-NH1 3.13Å; H35-R40 PolarHBondContact O-NH2 3.32Å
36	W	90.9	Very high	90.6	Very high	120 Å²	120	65 Å²	65	46%	0.455	31%	0.314	S	S	.	.			trans	-87.1	84.3	175.3	-73.7	99.6	0	0	0	111.6	K34 R40 H41 L44	K34-W36 PolarHBondContact O-N 3.29Å; W36-R40 HydrophobicContact CE3-CB 4.35Å; W36-R40 HydrophobicContact CE3-CG 3.77Å; W36-R40 HydrophobicContact CZ3-CG 3.81Å; W36-H41 AromaticContact CE3-CE1 3.97Å; W36-H41 AromaticContact CE3-ND1 3.91Å; W36-L44 HydrophobicContact CH2-CD2 3.83Å; W36-L44 HydrophobicContact CZ3-CD2 3.83Å
37	T	92.7	Very high	91.2	Very high	10 Å²	10	60.7 Å²	60.7	6%	0.061	30%	0.299	C	S	.	.			trans	-70.7	164.2	172.7	66.8	0	0	0	0	111.2	Y27 E30 H35 E39 R40 H41	Y27-T37 WeakPolarHBondContact CB-OG1 3.31Å; E30-T37 HydrophobicContact CB-CG2 4.07Å; H35-T37 PolarHBondContact O-N 3.14Å; T37-E39 VanDerWaalsContact C-N 3.27Å; T37-E39 PolarHBondContact O-N 2.98Å; T37-R40 WeakPolarHBondContact O-CB 3.47Å; T37-R40 PolarHBondContact O-N 3.19Å; T37-R40 VanDerWaalsContact O-N 3.15Å; T37-R40 PolarHBondContact OG1-N 2.71Å; T37-H41 PolarHBondContact O-CD2 3.3Å; T37-H41 PolarHBondContact O-N 2.88Å
38	K	93.5	Very high	91.7	Very high	122 Å²	122	60 Å²	60	53%	0.53	30%	0.296	S	S	.	.	H	α-helix	trans	-57.4	-43.4	176.7	-175.1	-175.3	175.4	-177.2	0	111.4	R40 H41 Q42 F164	K38-R40 VanDerWaalsContact C-N 3.28Å; K38-R40 PolarHBondContact O-N 2.63Å; K38-H41 PolarHBondContact O-N 3.5Å; K38-Q42 PolarHBondContact O-N 2.75Å; K38-F164 HydrophobicContact CB-CD1 4.5Å; K38-F164 HydrophobicContact CD-CD1 4.45Å; K38-F164 HydrophobicContact CG-CD1 3.48Å; K38-F164 VanDerWaalsContact CG-CD1 3.48Å; K38-F164 HydrophobicContact CG-CE1 3.75Å; K38-F164 HydrophobicContact CG-CG 4.17Å; K38-F164 WeakPolarHBondContact O-CE1 3.44Å
39	E	93.4	Very high	92.4	Very high	88 Å²	88	57.4 Å²	57.4	41%	0.411	28%	0.277	S	S	.	.	H	α-helix	trans	-64.8	-35.4	-179.9	-65.8	65.5	-143.4	0	0	111	Y27 T37 Q42 F43	Y27-E39 HydrophobicContact CD1-CB 3.48Å; Y27-E39 VanDerWaalsContact CD1-CB 3.48Å; Y27-E39 HydrophobicContact CE1-CB 4.01Å; Y27-E39 HydrophobicContact CG-CB 4.43Å; T37-E39 VanDerWaalsContact C-N 3.27Å; T37-E39 PolarHBondContact O-N 2.98Å; E39-Q42 PolarHBondContact O-N 2.89Å; E39-F43 WeakPolarHBondContact O-CB 3.42Å; E39-F43 PolarHBondContact O-N 2.93Å
40	R	92.9	Very high	92.9	Very high	31 Å²	31	54.1 Å²	54.1	12%	0.117	26%	0.257	C	S	.	.	H	α-helix	trans	-69.5	-44	175.7	-169.2	-179.3	-67.6	-165	0.5	112.2	Y27 E30 G32 P33 H35 W36 T37 K38 Q42 F43 L44	Y27-R40 HydrophobicContact CD1-CB 4.42Å; Y27-R40 HydrophobicContact CD2-CB 3.98Å; Y27-R40 HydrophobicContact CD2-CG 4.23Å; Y27-R40 HydrophobicContact CE1-CB 4.27Å; Y27-R40 HydrophobicContact CE2-CB 3.84Å; Y27-R40 HydrophobicContact CE2-CG 3.74Å; Y27-R40 HydrophobicContact CG-CB 4.26Å; E30-R40 IonicContact OE2-CZ 2.62Å; E30-R40 IonicContact OE2-NH2 2.67Å; E30-R40 PolarHBondContact OE2-NH2 3.22Å; G32-R40 PolarHBondContact O-NH2 3.44Å; P33-R40 VanDerWaalsContact C-NH1 3.32Å; P33-R40 PolarHBondContact O-NH1 3.01Å; H35-R40 PolarHBondContact O-NE 2.83Å; H35-R40 PolarHBondContact O-NH1 3.44Å; H35-R40 VanDerWaalsContact O-NH1 3.13Å; H35-R40 PolarHBondContact O-NH2 3.32Å; W36-R40 HydrophobicContact CE3-CB 4.35Å; W36-R40 HydrophobicContact CE3-CG 3.77Å; W36-R40 HydrophobicContact CZ3-CG 3.81Å; T37-R40 WeakPolarHBondContact O-CB 3.47Å; T37-R40 PolarHBondContact O-N 3.19Å; T37-R40 VanDerWaalsContact O-N 3.15Å; T37-R40 PolarHBondContact OG1-N 2.71Å; K38-R40 VanDerWaalsContact C-N 3.28Å; K38-R40 PolarHBondContact O-N 2.63Å; R40-Q42 VanDerWaalsContact C-N 3.32Å; R40-Q42 PolarHBondContact O-N 3.36Å; R40-F43 PolarHBondContact O-N 3.28Å; R40-L44 PolarHBondContact O-N 2.95Å
41	H	95.1	Very high	93.3	Very high	17 Å²	17	54.2 Å²	54.2	8%	0.079	26%	0.264	C	S	.	.	H	α-helix	trans	-60.6	-43.7	172.3	-77.9	-67.9	0	0	0	111.1	W36 T37 K38 F43 L44 M45 F164 D165 D166	W36-H41 AromaticContact CE3-CE1 3.97Å; W36-H41 AromaticContact CE3-ND1 3.91Å; T37-H41 PolarHBondContact O-CD2 3.3Å; T37-H41 PolarHBondContact O-N 2.88Å; K38-H41 PolarHBondContact O-N 3.5Å; H41-F43 PolarHBondContact O-N 2.89Å; H41-L44 PolarHBondContact O-N 3.19Å; H41-M45 HydrophobicContact CB-CE 4.42Å; H41-M45 WeakPolarHBondContact O-CB 3.29Å; H41-M45 VanDerWaalsContact O-CG 3.3Å; H41-M45 WeakPolarHBondContact O-CG 3.46Å; H41-M45 PolarHBondContact O-N 3.27Å; H41-F164 HydrophobicContact CB-CD1 4.27Å; H41-F164 HydrophobicContact CB-CE1 4.32Å; H41-D165 IonicContact CE1-OD1 3.44Å; H41-D165 IonicContact CE1-OD2 2.71Å; H41-D165 PolarHBondContact CE1-OD2 3.44Å; H41-D165 IonicContact NE2-OD2 3.46Å; H41-D166 IonicContact CE1-OD1 2.81Å; H41-D166 PolarHBondContact ND1-N 3.43Å; H41-D166 IonicContact ND1-OD1 3.9Å; H41-D166 PolarHBondContact ND1-OD1 2.95Å
42	Q	96.3	Very high	93.9	Very high	59 Å²	59	48.2 Å²	48.2	28%	0.276	24%	0.236	S	C	.	.	H	α-helix	trans	-57.4	-50.4	176.3	174	166.8	-30	0	0	111.3	K38 E39 R40 L44 M45 E46 Y154 F164	K38-Q42 PolarHBondContact O-N 2.75Å; E39-Q42 PolarHBondContact O-N 2.89Å; R40-Q42 VanDerWaalsContact C-N 3.32Å; R40-Q42 PolarHBondContact O-N 3.36Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 2.98Å; Q42-M45 PolarHBondContact O-N 2.87Å; Q42-M45 VanDerWaalsContact O-N 3.12Å; Q42-E46 HydrophobicContact CG-CG 4.36Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.46Å; Q42-E46 PolarHBondContact NE2-OE1 2.79Å; Q42-E46 WeakPolarHBondContact O-CG 3.38Å; Q42-E46 PolarHBondContact O-N 3.4Å; Q42-Y154 VanDerWaalsContact CD-OH 3.31Å; Q42-Y154 HydrophobicContact CG-CD2 4.34Å; Q42-Y154 HydrophobicContact CG-CE2 3.64Å; Q42-Y154 PolarHBondContact NE2-OH 3.44Å; Q42-F164 HydrophobicContact CB-CE1 3.85Å; Q42-F164 HydrophobicContact CB-CZ 3.98Å
43	F	94.1	Very high	94.4	Very high	33 Å²	33	50.1 Å²	50.1	15%	0.145	25%	0.245	C	C	.	.	H	α-helix	trans	-58.6	-44.2	179.8	179.6	-117.7	0	0	0	112.1	E21 Y27 E39 R40 H41 M45 E46 L47	E21-F43 VanDerWaalsContact OE1-CZ 3.28Å; E21-F43 WeakPolarHBondContact OE1-CZ 3.4Å; Y27-F43 HydrophobicContact CE1-CB 4.43Å; Y27-F43 WeakPolarHBondContact OH-CB 3.34Å; Y27-F43 WeakPolarHBondContact OH-CD1 3.32Å; Y27-F43 WeakPolarHBondContact OH-CG 3.45Å; E39-F43 WeakPolarHBondContact O-CB 3.42Å; E39-F43 PolarHBondContact O-N 2.93Å; R40-F43 PolarHBondContact O-N 3.28Å; H41-F43 PolarHBondContact O-N 2.89Å; F43-M45 VanDerWaalsContact C-N 3.35Å; F43-M45 PolarHBondContact O-N 3.39Å; F43-E46 PolarHBondContact O-N 3.05Å; F43-L47 HydrophobicContact CD1-CD1 4.23Å; F43-L47 HydrophobicContact CE1-CD1 3.72Å; F43-L47 HydrophobicContact CE1-CG 4.47Å; F43-L47 HydrophobicContact CE2-CD1 4.33Å; F43-L47 HydrophobicContact CE2-CD2 4.34Å; F43-L47 HydrophobicContact CE2-CG 4.24Å; F43-L47 HydrophobicContact CZ-CD1 3.77Å; F43-L47 HydrophobicContact CZ-CD2 4.28Å; F43-L47 HydrophobicContact CZ-CG 4.15Å; F43-L47 WeakPolarHBondContact O-CG 3.41Å; F43-L47 PolarHBondContact O-N 2.88Å
44	L	94.6	Very high	94.9	Very high	40 Å²	40	51.5 Å²	51.5	21%	0.209	25%	0.245	C	C	.	.	H	α-helix	trans	-62.6	-41.1	175.6	-178.6	60.8	0	0	0	112.2	W36 R40 H41 Q42 L47 K48 D166	W36-L44 HydrophobicContact CH2-CD2 3.83Å; W36-L44 HydrophobicContact CZ3-CD2 3.83Å; R40-L44 PolarHBondContact O-N 2.95Å; H41-L44 PolarHBondContact O-N 3.19Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 2.98Å; L44-L47 PolarHBondContact O-N 3.16Å; L44-K48 HydrophobicContact CG-CD 4.32Å; L44-K48 WeakPolarHBondContact O-CG 3.47Å; L44-K48 PolarHBondContact O-N 2.92Å; L44-D166 HydrophobicContact CD2-CB 4.46Å; L44-D166 WeakPolarHBondContact CD2-OD2 3.29Å
45	M	97.9	Very high	95.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-38.6	176.9	-72.9	-172.1	-70.2	0	0	112.4	H41 Q42 F43 K48 Q49 F153 Y154 F164 D166 V169	H41-M45 HydrophobicContact CB-CE 4.42Å; H41-M45 WeakPolarHBondContact O-CB 3.29Å; H41-M45 VanDerWaalsContact O-CG 3.3Å; H41-M45 WeakPolarHBondContact O-CG 3.46Å; H41-M45 PolarHBondContact O-N 3.27Å; Q42-M45 PolarHBondContact O-N 2.87Å; Q42-M45 VanDerWaalsContact O-N 3.12Å; F43-M45 VanDerWaalsContact C-N 3.35Å; F43-M45 PolarHBondContact O-N 3.39Å; M45-K48 PolarHBondContact O-N 3.47Å; M45-Q49 VanDerWaalsContact O-CB 3.29Å; M45-Q49 WeakPolarHBondContact O-CB 3.43Å; M45-Q49 PolarHBondContact O-N 3.22Å; M45-F153 HydrophobicContact CB-CB 4.38Å; M45-F153 WeakPolarHBondContact O-CB 3.42Å; M45-F153 VanDerWaalsContact SD-O 3.4Å; M45-Y154 HydrophobicContact CB-CD2 4.19Å; M45-Y154 HydrophobicContact CE-CD2 4.37Å; M45-F164 HydrophobicContact CE-CD1 4Å; M45-F164 HydrophobicContact CE-CD2 4.45Å; M45-F164 HydrophobicContact CE-CE1 3.32Å; M45-F164 HydrophobicContact CE-CE2 3.85Å; M45-F164 HydrophobicContact CE-CZ 3.25Å; M45-D166 HydrophobicContact CG-CB 3.44Å; M45-D166 VanDerWaalsContact CG-CB 3.44Å; M45-D166 HydrophobicContact SD-CB 4.15Å; M45-V169 HydrophobicContact CE-CG2 4.37Å; M45-V169 HydrophobicContact SD-CB 3.69Å; M45-V169 HydrophobicContact SD-CG1 3.72Å; M45-V169 HydrophobicContact SD-CG2 3.74Å
46	E	97.2	Very high	95.6	Very high	74 Å²	74	51.5 Å²	51.5	35%	0.346	24%	0.244	S	C	.	.	H	α-helix	trans	-61.8	-44	174.2	-73.2	171	-177.2	0	0	111.3	Q42 F43 Q49 E50 Y154	Q42-E46 HydrophobicContact CG-CG 4.36Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.46Å; Q42-E46 PolarHBondContact NE2-OE1 2.79Å; Q42-E46 WeakPolarHBondContact O-CG 3.38Å; Q42-E46 PolarHBondContact O-N 3.4Å; F43-E46 PolarHBondContact O-N 3.05Å; E46-Q49 PolarHBondContact O-N 3.46Å; E46-E50 WeakPolarHBondContact O-CB 3.19Å; E46-E50 PolarHBondContact O-N 3Å; E46-Y154 HydrophobicContact CG-CD1 3.67Å; E46-Y154 HydrophobicContact CG-CD2 4.37Å; E46-Y154 HydrophobicContact CG-CE1 3.98Å; E46-Y154 HydrophobicContact CG-CG 3.88Å
47	L	95.6	Very high	95.9	Very high	79 Å²	79	52.2 Å²	52.2	41%	0.414	26%	0.256	S	S	.	.	H	α-helix	trans	-62.7	-44.8	174.9	-68.3	176.4	0	0	0	112.3	F43 L44 Q49 E50 A51	F43-L47 HydrophobicContact CD1-CD1 4.23Å; F43-L47 HydrophobicContact CE1-CD1 3.72Å; F43-L47 HydrophobicContact CE1-CG 4.47Å; F43-L47 HydrophobicContact CE2-CD1 4.33Å; F43-L47 HydrophobicContact CE2-CD2 4.34Å; F43-L47 HydrophobicContact CE2-CG 4.24Å; F43-L47 HydrophobicContact CZ-CD1 3.77Å; F43-L47 HydrophobicContact CZ-CD2 4.28Å; F43-L47 HydrophobicContact CZ-CG 4.15Å; F43-L47 WeakPolarHBondContact O-CG 3.41Å; F43-L47 PolarHBondContact O-N 2.88Å; L44-L47 PolarHBondContact O-N 3.16Å; L47-Q49 VanDerWaalsContact C-N 3.33Å; L47-Q49 PolarHBondContact O-N 3.38Å; L47-E50 PolarHBondContact O-N 3.4Å; L47-A51 PolarHBondContact O-N 3.41Å
48	K	97.6	Very high	96	Very high	18 Å²	18	59.2 Å²	59.2	8%	0.078	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-39.5	176.3	-72.1	177.6	178.4	178.6	0	111.4	L44 M45 A51 L52 F65 F153 D166	L44-K48 HydrophobicContact CG-CD 4.32Å; L44-K48 WeakPolarHBondContact O-CG 3.47Å; L44-K48 PolarHBondContact O-N 2.92Å; M45-K48 PolarHBondContact O-N 3.47Å; K48-A51 PolarHBondContact O-N 3.17Å; K48-L52 WeakPolarHBondContact O-CB 3.4Å; K48-L52 PolarHBondContact O-N 3.48Å; K48-F65 HydrophobicContact CB-CE1 4.14Å; K48-F65 HydrophobicContact CG-CD1 4.37Å; K48-F65 HydrophobicContact CG-CE1 4.3Å; K48-F153 HydrophobicContact CB-CB 3.94Å; K48-F153 HydrophobicContact CB-CD1 3.76Å; K48-F153 HydrophobicContact CB-CD2 3.76Å; K48-F153 HydrophobicContact CB-CE1 4.17Å; K48-F153 HydrophobicContact CB-CE2 4.18Å; K48-F153 HydrophobicContact CB-CG 3.53Å; K48-F153 HydrophobicContact CB-CZ 4.37Å; K48-F153 HydrophobicContact CD-CD1 3.78Å; K48-F153 HydrophobicContact CD-CE1 3.87Å; K48-F153 HydrophobicContact CD-CG 4.45Å; K48-F153 HydrophobicContact CG-CD1 4.38Å; K48-D166 IonicContact NZ-OD2 3.73Å; K48-D166 PolarHBondContact NZ-OD2 2.92Å
49	Q	98.4	Very high	96.1	Very high	31 Å²	31	56 Å²	56	15%	0.145	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-41.7	175.9	-178	61.4	44.2	0	0	111.8	M45 E46 L47 L52 T53 A152 F153 Y154	M45-Q49 VanDerWaalsContact O-CB 3.29Å; M45-Q49 WeakPolarHBondContact O-CB 3.43Å; M45-Q49 PolarHBondContact O-N 3.22Å; E46-Q49 PolarHBondContact O-N 3.46Å; L47-Q49 VanDerWaalsContact C-N 3.33Å; L47-Q49 PolarHBondContact O-N 3.38Å; Q49-L52 PolarHBondContact O-N 3.49Å; Q49-T53 PolarHBondContact NE2-OG1 3.26Å; Q49-T53 WeakPolarHBondContact O-CB 3.34Å; Q49-T53 PolarHBondContact O-N 3.4Å; Q49-T53 PolarHBondContact O-OG1 2.88Å; Q49-A152 VanDerWaalsContact OE1-CA 3.27Å; Q49-F153 HydrophobicContact CB-CB 4.26Å; Q49-Y154 VanDerWaalsContact CD-O 3.27Å; Q49-Y154 WeakPolarHBondContact CG-O 3.01Å; Q49-Y154 PolarHBondContact OE1-O 2.97Å
50	E	96.8	Very high	96.2	Very high	84 Å²	84	53.3 Å²	53.3	39%	0.393	28%	0.276	S	S	.	.	H	α-helix	trans	-62.9	-45.5	177.1	-177.6	168.6	-160.7	0	0	111.1	R19 E46 L47 L52 T53 F54	R19-E50 IonicContact CZ-OE1 3.37Å; R19-E50 IonicContact CZ-OE2 2.98Å; R19-E50 IonicContact NH1-OE1 3.63Å; R19-E50 PolarHBondContact NH1-OE1 3.24Å; R19-E50 IonicContact NH1-OE2 3.07Å; R19-E50 PolarHBondContact NH1-OE2 3.37Å; R19-E50 IonicContact NH2-OE1 3.78Å; R19-E50 PolarHBondContact NH2-OE1 3.14Å; E46-E50 WeakPolarHBondContact O-CB 3.19Å; E46-E50 PolarHBondContact O-N 3Å; L47-E50 PolarHBondContact O-N 3.4Å; E50-L52 VanDerWaalsContact C-N 3.34Å; E50-L52 PolarHBondContact O-N 3.44Å; E50-T53 PolarHBondContact O-N 3.47Å; E50-F54 WeakPolarHBondContact O-CB 3.35Å; E50-F54 PolarHBondContact O-N 2.91Å
51	A	96.6	Very high	96.4	Very high	41 Å²	41	54.6 Å²	54.6	34%	0.339	29%	0.285	S	S	.	.	H	α-helix	trans	-59.9	-43.2	175.4	0	0	0	0	0	112.1	L47 K48 T53 F54 A55 I63 F65	L47-A51 PolarHBondContact O-N 3.41Å; K48-A51 PolarHBondContact O-N 3.17Å; A51-T53 PolarHBondContact O-N 3.21Å; A51-F54 PolarHBondContact O-N 3.29Å; A51-A55 PolarHBondContact O-N 2.96Å; A51-I63 HydrophobicContact CB-CD1 4.28Å; A51-F65 HydrophobicContact CB-CE1 4.18Å
52	L	98	Very high	96.6	Very high	4 Å²	4	57 Å²	57	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-44.3	175.2	180	59.9	0	0	0	111.9	K48 Q49 E50 A55 R56 I63 F65 L143 L151 F153	K48-L52 WeakPolarHBondContact O-CB 3.4Å; K48-L52 PolarHBondContact O-N 3.48Å; Q49-L52 PolarHBondContact O-N 3.49Å; E50-L52 VanDerWaalsContact C-N 3.34Å; E50-L52 PolarHBondContact O-N 3.44Å; L52-A55 PolarHBondContact O-N 3.39Å; L52-R56 WeakPolarHBondContact O-CG 3.43Å; L52-R56 PolarHBondContact O-N 3.04Å; L52-R56 VanDerWaalsContact O-N 3.08Å; L52-I63 HydrophobicContact CD1-CG2 4.26Å; L52-F65 HydrophobicContact CB-CZ 4.31Å; L52-L143 HydrophobicContact CD1-CD2 3.57Å; L52-L151 WeakPolarHBondContact CD2-O 3.48Å; L52-F153 HydrophobicContact CB-CD2 4.41Å; L52-F153 HydrophobicContact CB-CE2 4.38Å; L52-F153 HydrophobicContact CD2-CD2 4.02Å; L52-F153 HydrophobicContact CD2-CE2 4.06Å
53	T	97.4	Very high	96.7	Very high	54 Å²	54	55.1 Å²	55.1	33%	0.331	29%	0.285	S	S	.	.	H	α-helix	trans	-65.5	-43.4	179.2	-55.3	0	0	0	0	111	Q49 E50 A51 R56 N57	Q49-T53 PolarHBondContact NE2-OG1 3.26Å; Q49-T53 WeakPolarHBondContact O-CB 3.34Å; Q49-T53 PolarHBondContact O-N 3.4Å; Q49-T53 PolarHBondContact O-OG1 2.88Å; E50-T53 PolarHBondContact O-N 3.47Å; A51-T53 PolarHBondContact O-N 3.21Å; T53-R56 PolarHBondContact O-N 2.8Å; T53-N57 WeakPolarHBondContact O-CB 3.29Å; T53-N57 VanDerWaalsContact O-CG 3.25Å; T53-N57 PolarHBondContact O-N 3.48Å; T53-N57 PolarHBondContact O-ND2 3.07Å
54	F	95.8	Very high	96.9	Very high	93 Å²	93	56.6 Å²	56.6	41%	0.408	30%	0.295	S	S	.	.	H	α-helix	trans	-58.1	-50.5	174.8	176.8	-91.8	0	0	0	111.4	V17 E50 A51 R56 N57 W58	V17-F54 HydrophobicContact CG2-CE2 3.97Å; V17-F54 HydrophobicContact CG2-CZ 3.86Å; E50-F54 WeakPolarHBondContact O-CB 3.35Å; E50-F54 PolarHBondContact O-N 2.91Å; A51-F54 PolarHBondContact O-N 3.29Å; F54-R56 VanDerWaalsContact C-N 3.32Å; F54-R56 PolarHBondContact O-N 3.36Å; F54-N57 PolarHBondContact O-N 3.36Å; F54-W58 HydrophobicContact CE1-CB 4.5Å; F54-W58 HydrophobicContact CE2-CE3 4.46Å; F54-W58 HydrophobicContact CZ-CD2 4.42Å; F54-W58 AromaticContact CZ-CE3 3.94Å; F54-W58 HydrophobicContact CZ-CE3 3.94Å; F54-W58 WeakPolarHBondContact O-CB 3.39Å; F54-W58 PolarHBondContact O-N 3.32Å
55	A	96.4	Very high	97.1	Very high	10 Å²	10	55.6 Å²	55.6	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-39.1	-178.8	0	0	0	0	0	112.5	A51 L52 W58 G59 A60 I63 L143	A51-A55 PolarHBondContact O-N 2.96Å; L52-A55 PolarHBondContact O-N 3.39Å; A55-W58 PolarHBondContact O-N 3.04Å; A55-G59 PolarHBondContact O-N 2.88Å; A55-A60 HydrophobicContact CB-CB 4.22Å; A55-A60 WeakPolarHBondContact O-CB 3.42Å; A55-A60 PolarHBondContact O-N 2.97Å; A55-I63 HydrophobicContact CB-CB 4.18Å; A55-I63 HydrophobicContact CB-CD1 3.87Å; A55-I63 HydrophobicContact CB-CG1 4.38Å; A55-L143 HydrophobicContact CB-CD1 3.72Å
56	R	96.6	Very high	97	Very high	74 Å²	74	58.4 Å²	58.4	28%	0.279	31%	0.312	S	S	.	.	H	α-helix	trans	-62.4	-48.7	173.4	-74	173.9	175.5	157.8	1.3	111.9	L52 T53 F54 W58 G59 L143 A148 D149 L151	L52-R56 WeakPolarHBondContact O-CG 3.43Å; L52-R56 PolarHBondContact O-N 3.04Å; L52-R56 VanDerWaalsContact O-N 3.08Å; T53-R56 PolarHBondContact O-N 2.8Å; F54-R56 VanDerWaalsContact C-N 3.32Å; F54-R56 PolarHBondContact O-N 3.36Å; R56-W58 VanDerWaalsContact C-N 3.28Å; R56-W58 PolarHBondContact O-N 2.83Å; R56-G59 PolarHBondContact O-N 2.83Å; R56-L143 HydrophobicContact CG-CD1 4.35Å; R56-L143 HydrophobicContact CG-CD2 4.32Å; R56-A148 PolarHBondContact NH2-O 2.81Å; R56-D149 PolarHBondContact NH2-O 2.85Å; R56-L151 PolarHBondContact NH1-O 2.99Å; R56-L151 PolarHBondContact NH2-O 2.89Å
57	N	96.1	Very high	96.8	Very high	134 Å²	134	57.2 Å²	57.2	72%	0.717	31%	0.308	S	S	*	.	H	α-helix	trans	-65.7	-32.5	-179.7	-70.3	-14.5	0	0	0	112.6	T53 F54 G59	T53-N57 WeakPolarHBondContact O-CB 3.29Å; T53-N57 VanDerWaalsContact O-CG 3.25Å; T53-N57 PolarHBondContact O-N 3.48Å; T53-N57 PolarHBondContact O-ND2 3.07Å; F54-N57 PolarHBondContact O-N 3.36Å; N57-G59 PolarHBondContact O-N 3.39Å
58	W	95.3	Very high	96.5	Very high	158 Å²	158	60.6 Å²	60.6	60%	0.598	33%	0.332	S	S	*	.	H	α-helix	trans	-69.9	-16.5	173.8	-168	-94.3	0	0	0	112.8	A15 F54 A55 R56	A15-W58 HydrophobicContact CB-CH2 4.08Å; A15-W58 HydrophobicContact CB-CZ2 4.33Å; F54-W58 HydrophobicContact CE1-CB 4.5Å; F54-W58 HydrophobicContact CE2-CE3 4.46Å; F54-W58 HydrophobicContact CZ-CD2 4.42Å; F54-W58 AromaticContact CZ-CE3 3.94Å; F54-W58 HydrophobicContact CZ-CE3 3.94Å; F54-W58 WeakPolarHBondContact O-CB 3.39Å; F54-W58 PolarHBondContact O-N 3.32Å; A55-W58 PolarHBondContact O-N 3.04Å; R56-W58 VanDerWaalsContact C-N 3.28Å; R56-W58 PolarHBondContact O-N 2.83Å
59	G	95.7	Very high	96	Very high	54 Å²	54	62 Å²	62	56%	0.557	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	30.3	-175.1	0	0	0	0	0	113.3	A55 R56 N57	A55-G59 PolarHBondContact O-N 2.88Å; R56-G59 PolarHBondContact O-N 2.83Å; N57-G59 PolarHBondContact O-N 3.39Å
60	A	96.4	Very high	95.7	Very high	31 Å²	31	61.4 Å²	61.4	26%	0.256	34%	0.338	S	S	.	.			trans	-71.1	148.1	176.5	0	0	0	0	0	112	A55 L143	A55-A60 HydrophobicContact CB-CB 4.22Å; A55-A60 WeakPolarHBondContact O-CB 3.42Å; A55-A60 PolarHBondContact O-N 2.97Å; A60-L143 HydrophobicContact CB-CD1 4.17Å; A60-L143 WeakPolarHBondContact O-CD1 3.22Å
61	D	97.4	Very high	95.5	Very high	58 Å²	58	59.4 Å²	59.4	31%	0.31	33%	0.329	S	S	.	.	S	Bend	trans	-85.2	-30.1	179.9	-65.7	-3	0	0	0	112.1	L143 R144	D61-L143 PolarHBondContact O-N 2.91Å; D61-R144 IonicContact OD1-CZ 2.78Å; D61-R144 IonicContact OD1-NE 2.95Å; D61-R144 PolarHBondContact OD1-NE 3.36Å; D61-R144 IonicContact OD1-NH1 3.46Å; D61-R144 IonicContact OD1-NH2 2.6Å; D61-R144 PolarHBondContact OD1-NH2 3.04Å; D61-R144 IonicContact OD2-CZ 3.14Å; D61-R144 IonicContact OD2-NE 3.83Å; D61-R144 IonicContact OD2-NH1 3.51Å; D61-R144 PolarHBondContact OD2-NH1 3.33Å; D61-R144 IonicContact OD2-NH2 3.22Å; D61-R144 PolarHBondContact OD2-NH2 3.43Å
62	Y	98.3	Very high	95.3	Very high	68 Å²	68	60.6 Å²	60.6	27%	0.267	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	153.2	-179.1	-62.6	-91.8	0	0	0	110.1	M82 L140 A141	Y62-M82 HydrophobicContact CD2-CE 3.94Å; Y62-M82 HydrophobicContact CD2-CG 4.28Å; Y62-M82 HydrophobicContact CE2-CE 3.92Å; Y62-M82 HydrophobicContact CE2-CG 4.36Å; Y62-M82 HydrophobicContact CG-CG 4.41Å; Y62-L140 HydrophobicContact CD1-CD1 4.38Å; Y62-L140 HydrophobicContact CD1-CD2 3.74Å; Y62-L140 HydrophobicContact CD1-CG 3.92Å; Y62-L140 HydrophobicContact CE1-CD2 4.25Å; Y62-L140 HydrophobicContact CG-CD1 4.42Å; Y62-L140 HydrophobicContact CG-CD2 4.34Å; Y62-L140 HydrophobicContact CG-CG 4.45Å; Y62-A141 CarbonylContact C-O 3.57Å; Y62-A141 VanDerWaalsContact CA-O 3.24Å; Y62-A141 WeakPolarHBondContact CA-O 3.26Å
63	I	98.4	Very high	95.2	Very high	19 Å²	19	64.1 Å²	64.1	10%	0.097	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.7	166.7	-178	168.2	0	0	0	108.8	A51 L52 A55 F65 L140 A141 L143	A51-I63 HydrophobicContact CB-CD1 4.28Å; L52-I63 HydrophobicContact CD1-CG2 4.26Å; A55-I63 HydrophobicContact CB-CB 4.18Å; A55-I63 HydrophobicContact CB-CD1 3.87Å; A55-I63 HydrophobicContact CB-CG1 4.38Å; I63-F65 HydrophobicContact CB-CE2 4.4Å; I63-F65 HydrophobicContact CD1-CE1 3.97Å; I63-F65 HydrophobicContact CD1-CE2 3.78Å; I63-F65 HydrophobicContact CD1-CZ 3.44Å; I63-F65 VanDerWaalsContact CD1-CZ 3.44Å; I63-F65 HydrophobicContact CG1-CD2 4.28Å; I63-F65 HydrophobicContact CG1-CE2 3.87Å; I63-F65 HydrophobicContact CG1-CZ 4.04Å; I63-F65 HydrophobicContact CG2-CD2 4.36Å; I63-F65 HydrophobicContact CG2-CE2 3.67Å; I63-F65 HydrophobicContact CG2-CZ 4.35Å; I63-L140 WeakPolarHBondContact O-CA 3.34Å; I63-A141 HydrophobicContact CG2-CB 3.97Å; I63-A141 PolarHBondContact N-O 3.03Å; I63-A141 PolarHBondContact O-N 3.22Å; I63-L143 HydrophobicContact CB-CD1 4.43Å; I63-L143 HydrophobicContact CG2-CD1 4.4Å; I63-L143 HydrophobicContact CG2-CD2 3.85Å; I63-L143 HydrophobicContact CG2-CG 4.23Å
64	L	98.2	Very high	95.1	Very high	65 Å²	65	63.2 Å²	63.2	34%	0.34	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	117.3	171.3	-179.2	73.8	0	0	0	108.3	L81 T138 L140	L64-L81 HydrophobicContact CD1-CD1 4.4Å; L64-T138 HydrophobicContact CD1-CG2 4.29Å; L64-L140 HydrophobicContact CB-CD1 3.92Å; L64-L140 HydrophobicContact CD1-CB 4.16Å; L64-L140 HydrophobicContact CD1-CD1 4.23Å
65	F	98.1	Very high	95.1	Very high	19 Å²	19	65.6 Å²	65.6	8%	0.083	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	135.2	165.4	-66.9	-85.8	0	0	0	108.5	K48 A51 L52 I63 T138 F139 F153	K48-F65 HydrophobicContact CB-CE1 4.14Å; K48-F65 HydrophobicContact CG-CD1 4.37Å; K48-F65 HydrophobicContact CG-CE1 4.3Å; A51-F65 HydrophobicContact CB-CE1 4.18Å; L52-F65 HydrophobicContact CB-CZ 4.31Å; I63-F65 HydrophobicContact CB-CE2 4.4Å; I63-F65 HydrophobicContact CD1-CE1 3.97Å; I63-F65 HydrophobicContact CD1-CE2 3.78Å; I63-F65 HydrophobicContact CD1-CZ 3.44Å; I63-F65 VanDerWaalsContact CD1-CZ 3.44Å; I63-F65 HydrophobicContact CG1-CD2 4.28Å; I63-F65 HydrophobicContact CG1-CE2 3.87Å; I63-F65 HydrophobicContact CG1-CZ 4.04Å; I63-F65 HydrophobicContact CG2-CD2 4.36Å; I63-F65 HydrophobicContact CG2-CE2 3.67Å; I63-F65 HydrophobicContact CG2-CZ 4.35Å; F65-T138 VanDerWaalsContact O-CA 3.22Å; F65-T138 WeakPolarHBondContact O-CA 3.35Å; F65-F139 HydrophobicContact CB-CD1 4.37Å; F65-F139 HydrophobicContact CB-CE1 3.99Å; F65-F139 HydrophobicContact CB-CE2 4.35Å; F65-F139 HydrophobicContact CB-CZ 3.98Å; F65-F139 HydrophobicContact CD2-CD2 4.21Å; F65-F139 HydrophobicContact CD2-CE1 4.49Å; F65-F139 AromaticContact CD2-CE2 3.48Å; F65-F139 HydrophobicContact CD2-CE2 3.48Å; F65-F139 VanDerWaalsContact CD2-CE2 3.48Å; F65-F139 AromaticContact CD2-CZ 3.65Å; F65-F139 HydrophobicContact CD2-CZ 3.65Å; F65-F139 HydrophobicContact CE2-CE2 4.14Å; F65-F139 HydrophobicContact CE2-CZ 4.39Å; F65-F139 HydrophobicContact CG-CE1 4.44Å; F65-F139 HydrophobicContact CG-CE2 4.2Å; F65-F139 AromaticContact CG-CZ 3.95Å; F65-F139 HydrophobicContact CG-CZ 3.95Å; F65-F139 PolarHBondContact N-O 2.66Å; F65-F139 PolarHBondContact O-N 2.68Å; F65-F153 HydrophobicContact CD2-CZ 4.23Å; F65-F153 HydrophobicContact CE1-CE2 4.04Å; F65-F153 HydrophobicContact CE1-CZ 4.18Å; F65-F153 AromaticContact CE2-CE2 3.77Å; F65-F153 HydrophobicContact CE2-CE2 3.77Å; F65-F153 AromaticContact CE2-CZ 3.76Å; F65-F153 HydrophobicContact CE2-CZ 3.76Å; F65-F153 HydrophobicContact CZ-CD2 4.4Å; F65-F153 AromaticContact CZ-CE2 3.4Å; F65-F153 HydrophobicContact CZ-CE2 3.4Å; F65-F153 VanDerWaalsContact CZ-CE2 3.4Å; F65-F153 AromaticContact CZ-CZ 3.72Å; F65-F153 HydrophobicContact CZ-CZ 3.72Å
66	A	96.3	Very high	95.1	Very high	59 Å²	59	68.4 Å²	68.4	49%	0.488	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	117.7	175.9	0	0	0	0	0	110.5	S137 T138	A66-S137 CarbonylContact C-O 3.56Å; A66-S137 VanDerWaalsContact CA-O 3.31Å; A66-S137 WeakPolarHBondContact CA-O 3.33Å; A66-T138 HydrophobicContact CB-CG2 4.2Å
67	D	93.4	Very high	95.2	Very high	49 Å²	49	65.1 Å²	65.1	26%	0.262	36%	0.361	S	S	.	.			trans	-66.8	146.2	171	-67	-5.7	0	0	0	110.2	D69 N70 S137	D67-D69 WeakPolarHBondContact CB-OD1 3.48Å; D67-D69 PolarHBondContact O-N 2.99Å; D67-N70 PolarHBondContact O-N 3.03Å; D67-N70 VanDerWaalsContact O-N 3.17Å; D67-S137 VanDerWaalsContact CG-CA 3.5Å; D67-S137 PolarHBondContact N-O 3.11Å; D67-S137 WeakPolarHBondContact OD2-CA 3.28Å; D67-S137 WeakPolarHBondContact OD2-CB 3.4Å; D67-S137 PolarHBondContact OD2-OG 3.12Å
68	T	88.4	Confident	95.3	Very high	149 Å²	149	62.7 Å²	62.7	91%	0.914	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-16.2	-171.8	51	0	0	0	0	114.2
69	D	87.4	Confident	95.4	Very high	48 Å²	48	63.5 Å²	63.5	26%	0.257	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	5.2	177.3	62.4	-19.4	0	0	0	113.1	D67	D67-D69 WeakPolarHBondContact CB-OD1 3.48Å; D67-D69 PolarHBondContact O-N 2.99Å
70	N	92.1	Very high	95.5	Very high	18 Å²	18	62.8 Å²	62.8	10%	0.096	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125	170.3	-73.1	-8.8	0	0	0	111.3	D67 L93 S137 T138 M192	D67-N70 PolarHBondContact O-N 3.03Å; D67-N70 VanDerWaalsContact O-N 3.17Å; N70-L93 HydrophobicContact CB-CD1 3.81Å; N70-L93 VanDerWaalsContact CG-CD1 3.46Å; N70-L93 VanDerWaalsContact ND2-CD1 3.27Å; N70-L93 WeakPolarHBondContact ND2-CD1 3.38Å; N70-S137 WeakPolarHBondContact ND2-CB 3.34Å; N70-T138 WeakPolarHBondContact CB-OG1 3.23Å; N70-T138 PolarHBondContact ND2-OG1 3.03Å; N70-M192 WeakPolarHBondContact OD1-CB 3.3Å
71	I	92.1	Very high	95.6	Very high	42 Å²	42	61.4 Å²	61.4	22%	0.215	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	98.4	-175.5	-50.9	175.1	0	0	0	109	T73 G190 Y191 F209 L212 I213	I71-T73 HydrophobicContact CG2-CG2 4Å; I71-T73 PolarHBondContact O-N 2.8Å; I71-G190 CarbonylContact O-C 3.48Å; I71-G190 WeakPolarHBondContact O-CA 3.37Å; I71-Y191 PolarHBondContact N-O 2.9Å; I71-Y191 PolarHBondContact O-N 3.18Å; I71-F209 HydrophobicContact CD1-CE2 3.77Å; I71-F209 HydrophobicContact CD1-CZ 3.79Å; I71-F209 HydrophobicContact CG1-CE2 3.97Å; I71-F209 HydrophobicContact CG1-CZ 4.06Å; I71-L212 HydrophobicContact CD1-CD2 3.85Å; I71-L212 HydrophobicContact CD1-CG 4.34Å; I71-L212 HydrophobicContact CG1-CD2 4.41Å; I71-I213 HydrophobicContact CD1-CG1 3.97Å
72	L	93.8	Very high	95.7	Very high	67 Å²	67	62.3 Å²	62.3	35%	0.351	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	107.4	172.1	-64.2	-178.3	0	0	0	110.2	T77 L93 T138	L72-T77 HydrophobicContact CD1-CG2 4.38Å; L72-T77 HydrophobicContact CD2-CG2 4.28Å; L72-L93 HydrophobicContact CD2-CD2 3.82Å; L72-T138 HydrophobicContact CD1-CG2 4.33Å; L72-T138 HydrophobicContact CD2-CG2 4.29Å
73	T	94.8	Very high	95.6	Very high	77 Å²	77	62.2 Å²	62.2	47%	0.472	35%	0.345	S	S	.	.			trans	-93.7	-19.7	179.1	55.9	0	0	0	0	112.6	I71 Y189 Y191	I71-T73 HydrophobicContact CG2-CG2 4Å; I71-T73 PolarHBondContact O-N 2.8Å; T73-Y189 PolarHBondContact N-O 2.89Å; T73-Y189 VanDerWaalsContact N-O 3.13Å; T73-Y191 HydrophobicContact CG2-CD2 3.9Å; T73-Y191 HydrophobicContact CG2-CE2 3.9Å
74	N	95.8	Very high	95.6	Very high	36 Å²	36	64.7 Å²	64.7	19%	0.193	36%	0.357	C	S	.	.			trans	-91.3	108.4	178.8	-173.2	-26.2	0	0	0	111.2	Q76 T77 R188 Y189	N74-Q76 PolarHBondContact O-N 2.83Å; N74-Q76 VanDerWaalsContact O-N 3.12Å; N74-Q76 WeakPolarHBondContact OD1-CA 3.46Å; N74-Q76 WeakPolarHBondContact OD1-CB 3.45Å; N74-Q76 PolarHBondContact OD1-N 2.87Å; N74-T77 WeakPolarHBondContact O-CB 3.48Å; N74-T77 PolarHBondContact O-N 3.04Å; N74-T77 PolarHBondContact O-OG1 2.96Å; N74-R188 VanDerWaalsContact CB-O 3.27Å; N74-R188 WeakPolarHBondContact CB-O 3.42Å; N74-R188 PolarHBondContact ND2-O 2.58Å; N74-Y189 PolarHBondContact N-O 3.04Å; N74-Y189 VanDerWaalsContact N-O 3.13Å
75	N	95.5	Very high	95.6	Very high	142 Å²	142	64.5 Å²	64.5	76%	0.759	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-8.2	180	70	11.1	0	0	0	114.5
76	Q	97.6	Very high	95.6	Very high	69 Å²	69	65.4 Å²	65.4	32%	0.322	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-0.4	172.7	-57.2	-54.8	-59.3	0	0	112.9	N74 L78 R79 L80	N74-Q76 PolarHBondContact O-N 2.83Å; N74-Q76 VanDerWaalsContact O-N 3.12Å; N74-Q76 WeakPolarHBondContact OD1-CA 3.46Å; N74-Q76 WeakPolarHBondContact OD1-CB 3.45Å; N74-Q76 PolarHBondContact OD1-N 2.87Å; Q76-L78 PolarHBondContact O-N 3.43Å; Q76-R79 PolarHBondContact O-N 3.39Å; Q76-L80 HydrophobicContact CB-CD1 3.85Å; Q76-L80 HydrophobicContact CB-CG 3.99Å; Q76-L80 WeakPolarHBondContact O-CG 3.03Å; Q76-L80 PolarHBondContact O-N 3.02Å
77	T	97.9	Very high	95.7	Very high	5 Å²	5	63.6 Å²	63.6	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-47.9	-53.5	-173.2	-65.2	0	0	0	0	112.6	L72 N74 R79 L80 L81 P91 Y189	L72-T77 HydrophobicContact CD1-CG2 4.38Å; L72-T77 HydrophobicContact CD2-CG2 4.28Å; N74-T77 WeakPolarHBondContact O-CB 3.48Å; N74-T77 PolarHBondContact O-N 3.04Å; N74-T77 PolarHBondContact O-OG1 2.96Å; T77-R79 PolarHBondContact O-N 3.28Å; T77-L80 PolarHBondContact O-N 3.03Å; T77-L81 HydrophobicContact CG2-CD1 3.79Å; T77-L81 HydrophobicContact CG2-CG 4.32Å; T77-L81 VanDerWaalsContact O-CG 3.26Å; T77-L81 WeakPolarHBondContact O-CG 3.39Å; T77-L81 PolarHBondContact O-N 3.49Å; T77-P91 HydrophobicContact CG2-CB 4.08Å; T77-P91 HydrophobicContact CG2-CG 4.03Å; T77-Y189 HydrophobicContact CG2-CD1 3.97Å
78	L	97.4	Very high	95.9	Very high	83 Å²	83	61.2 Å²	61.2	44%	0.435	35%	0.346	S	S	.	.	H	α-helix	trans	-59.4	-45.8	-178.6	-179.1	60.1	0	0	0	112.2	Q76 L81 M82 L140	Q76-L78 PolarHBondContact O-N 3.43Å; L78-L81 PolarHBondContact O-N 3.15Å; L78-M82 HydrophobicContact CD1-CG 4.24Å; L78-M82 HydrophobicContact CD1-SD 4.09Å; L78-M82 HydrophobicContact CG-SD 3.94Å; L78-M82 WeakPolarHBondContact O-CB 3.35Å; L78-M82 VanDerWaalsContact O-CG 3.27Å; L78-M82 WeakPolarHBondContact O-CG 3.37Å; L78-M82 PolarHBondContact O-N 2.94Å; L78-L140 HydrophobicContact CD1-CD1 3.66Å; L78-L140 HydrophobicContact CD1-CD2 4.48Å
79	R	98.1	Very high	96.4	Very high	175 Å²	175	54.1 Å²	54.1	66%	0.66	30%	0.303	S	S	*	.	H	α-helix	trans	-64	-42.6	179	-68.5	-177.9	-177	154.9	-2.7	112.1	Q76 T77 L81 M82 G83	Q76-R79 PolarHBondContact O-N 3.39Å; T77-R79 PolarHBondContact O-N 3.28Å; R79-L81 VanDerWaalsContact C-N 3.35Å; R79-M82 PolarHBondContact O-N 2.91Å; R79-G83 PolarHBondContact O-N 3Å
80	L	98.4	Very high	96.9	Very high	40 Å²	40	51.9 Å²	51.9	21%	0.209	29%	0.291	C	S	.	.	H	α-helix	trans	-63.6	-41.1	179.3	-71	169.5	0	0	0	111.6	Q76 T77 Q84 H187 Y189	Q76-L80 HydrophobicContact CB-CD1 3.85Å; Q76-L80 HydrophobicContact CB-CG 3.99Å; Q76-L80 WeakPolarHBondContact O-CG 3.03Å; Q76-L80 PolarHBondContact O-N 3.02Å; T77-L80 PolarHBondContact O-N 3.03Å; L80-Q84 WeakPolarHBondContact O-CG 3.22Å; L80-Q84 PolarHBondContact O-NE2 3.42Å; L80-H187 HydrophobicContact CD1-CB 4.28Å; L80-Y189 HydrophobicContact CB-CE1 4.05Å; L80-Y189 HydrophobicContact CD1-CE1 3.83Å
81	L	98.5	Very high	97.2	Very high	1 Å²	1	51 Å²	51	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-69.3	-45.8	176.9	-65.9	175.4	0	0	0	111.8	L64 T77 L78 R79 G83 Q84 V89 P91 L140	L64-L81 HydrophobicContact CD1-CD1 4.4Å; T77-L81 HydrophobicContact CG2-CD1 3.79Å; T77-L81 HydrophobicContact CG2-CG 4.32Å; T77-L81 VanDerWaalsContact O-CG 3.26Å; T77-L81 WeakPolarHBondContact O-CG 3.39Å; T77-L81 PolarHBondContact O-N 3.49Å; L78-L81 PolarHBondContact O-N 3.15Å; R79-L81 VanDerWaalsContact C-N 3.35Å; L81-G83 VanDerWaalsContact C-N 3.27Å; L81-G83 PolarHBondContact O-N 3.03Å; L81-Q84 WeakPolarHBondContact O-CB 3.28Å; L81-Q84 PolarHBondContact O-N 3.48Å; L81-Q84 VanDerWaalsContact O-N 3.16Å; L81-V89 HydrophobicContact CB-CG1 4.02Å; L81-V89 HydrophobicContact CD2-CG1 4.14Å; L81-V89 HydrophobicContact CD2-CG2 3.86Å; L81-P91 HydrophobicContact CD1-CB 4.32Å; L81-P91 HydrophobicContact CD1-CG 3.97Å; L81-P91 HydrophobicContact CD2-CB 4.19Å; L81-L140 HydrophobicContact CB-CB 4.24Å; L81-L140 HydrophobicContact CB-CD2 3.73Å; L81-L140 HydrophobicContact CD1-CB 4.13Å
82	M	98.3	Very high	97.5	Very high	77 Å²	77	49 Å²	49	38%	0.379	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-40.1	175.7	-72.8	173.8	68.4	0	0	111.7	Y62 L78 R79 Q84 G85 L140	Y62-M82 HydrophobicContact CD2-CE 3.94Å; Y62-M82 HydrophobicContact CD2-CG 4.28Å; Y62-M82 HydrophobicContact CE2-CE 3.92Å; Y62-M82 HydrophobicContact CE2-CG 4.36Å; Y62-M82 HydrophobicContact CG-CG 4.41Å; L78-M82 HydrophobicContact CD1-CG 4.24Å; L78-M82 HydrophobicContact CD1-SD 4.09Å; L78-M82 HydrophobicContact CG-SD 3.94Å; L78-M82 WeakPolarHBondContact O-CB 3.35Å; L78-M82 VanDerWaalsContact O-CG 3.27Å; L78-M82 WeakPolarHBondContact O-CG 3.37Å; L78-M82 PolarHBondContact O-N 2.94Å; R79-M82 PolarHBondContact O-N 2.91Å; M82-Q84 PolarHBondContact O-N 2.95Å; M82-Q84 VanDerWaalsContact O-N 3.13Å; M82-G85 PolarHBondContact O-N 3.44Å; M82-G85 VanDerWaalsContact O-N 3.08Å; M82-L140 HydrophobicContact CB-CD2 4.43Å; M82-L140 HydrophobicContact CG-CD2 3.68Å
83	G	97.9	Very high	97.7	Very high	66 Å²	66	45.8 Å²	45.8	68%	0.68	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.3	178.7	0	0	0	0	0	114.7	R79 L81 G85	R79-G83 PolarHBondContact O-N 3Å; L81-G83 VanDerWaalsContact C-N 3.27Å; L81-G83 PolarHBondContact O-N 3.03Å; G83-G85 VanDerWaalsContact C-N 3.32Å
84	Q	97.8	Very high	97.7	Very high	72 Å²	72	43.2 Å²	43.2	34%	0.336	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-23.6	175	-56.7	-53.4	-44.5	0	0	112.9	L80 L81 M82 L86 C129	L80-Q84 WeakPolarHBondContact O-CG 3.22Å; L80-Q84 PolarHBondContact O-NE2 3.42Å; L81-Q84 WeakPolarHBondContact O-CB 3.28Å; L81-Q84 PolarHBondContact O-N 3.48Å; L81-Q84 VanDerWaalsContact O-N 3.16Å; M82-Q84 PolarHBondContact O-N 2.95Å; M82-Q84 VanDerWaalsContact O-N 3.13Å; Q84-L86 HydrophobicContact CB-CB 4.31Å; Q84-L86 HydrophobicContact CB-CD1 3.74Å; Q84-L86 HydrophobicContact CB-CG 3.79Å; Q84-L86 HydrophobicContact CG-CD1 4.41Å; Q84-L86 PolarHBondContact O-N 3.02Å; Q84-C129 PolarHBondContact OE1-SG 2.03Å
85	G	97.3	Very high	97.6	Very high	61 Å²	61	42.3 Å²	42.3	63%	0.629	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	23.6	-175.9	0	0	0	0	0	113.9	M82 G83	M82-G85 PolarHBondContact O-N 3.44Å; M82-G85 VanDerWaalsContact O-N 3.08Å; G83-G85 VanDerWaalsContact C-N 3.32Å
86	L	98.1	Very high	97.1	Very high	37 Å²	37	38.7 Å²	38.7	19%	0.194	22%	0.217	C	C	.	.			trans	-92.8	147.3	-177.3	-64.9	171.4	0	0	0	111.1	Q84 V89 C129 H182	Q84-L86 HydrophobicContact CB-CB 4.31Å; Q84-L86 HydrophobicContact CB-CD1 3.74Å; Q84-L86 HydrophobicContact CB-CG 3.79Å; Q84-L86 HydrophobicContact CG-CD1 4.41Å; Q84-L86 PolarHBondContact O-N 3.02Å; L86-V89 HydrophobicContact CB-CB 4.16Å; L86-V89 HydrophobicContact CD1-CB 4.47Å; L86-V89 HydrophobicContact CD1-CG2 4.17Å; L86-C129 HydrophobicContact CD1-CB 4.09Å; L86-H182 HydrophobicContact CD1-CB 3.81Å
87	P	98	Very high	96.6	Very high	21 Å²	21	38.6 Å²	38.6	14%	0.136	22%	0.222	C	C	.	.	S	Bend	trans	-68	-43.8	-175.8	18.7	-26.5	0	0	0	113.6	A141 S142 A145 V179 S180	P87-A141 CarbonylContact O-C 3.57Å; P87-A141 WeakPolarHBondContact O-CA 3.41Å; P87-S142 PolarHBondContact O-N 2.83Å; P87-A145 HydrophobicContact CB-CB 3.58Å; P87-V179 HydrophobicContact CB-CG1 3.82Å; P87-V179 HydrophobicContact CG-CG1 4.22Å; P87-S180 WeakPolarHBondContact CG-O 3.27Å; P87-S180 VanDerWaalsContact CG-OG 3.29Å; P87-S180 WeakPolarHBondContact CG-OG 3.06Å
88	V	98.8	Very high	96.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	124.8	170.5	178.8	0	0	0	0	108.5	V135 F139 L140 A141 L151 F170 V179 S180 V181 H182	V88-V135 HydrophobicContact CG1-CG2 3.96Å; V88-F139 HydrophobicContact CG1-CD2 4.01Å; V88-L140 WeakPolarHBondContact CA-O 3.16Å; V88-A141 HydrophobicContact CG2-CB 4.26Å; V88-L151 HydrophobicContact CG2-CD1 4.31Å; V88-F170 HydrophobicContact CG1-CE1 4.48Å; V88-V179 HydrophobicContact CG2-CG1 3.82Å; V88-S180 PolarHBondContact N-O 3.42Å; V88-V181 HydrophobicContact CB-CG2 4.16Å; V88-V181 HydrophobicContact CG1-CG1 4.04Å; V88-V181 HydrophobicContact CG1-CG2 4.26Å; V88-H182 PolarHBondContact O-N 3.49Å; V88-H182 PolarHBondContact O-ND1 3.44Å
89	V	98.8	Very high	96	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	127.7	-174.7	63.7	0	0	0	0	112	L81 L86 F139 L140 H182 C184	L81-V89 HydrophobicContact CB-CG1 4.02Å; L81-V89 HydrophobicContact CD2-CG1 4.14Å; L81-V89 HydrophobicContact CD2-CG2 3.86Å; L86-V89 HydrophobicContact CB-CB 4.16Å; L86-V89 HydrophobicContact CD1-CB 4.47Å; L86-V89 HydrophobicContact CD1-CG2 4.17Å; V89-F139 WeakPolarHBondContact O-CA 3.41Å; V89-L140 HydrophobicContact CG1-CB 3.96Å; V89-L140 HydrophobicContact CG1-CD2 4.34Å; V89-L140 PolarHBondContact N-O 3.41Å; V89-L140 PolarHBondContact O-N 2.7Å; V89-H182 CarbonylContact C-O 3.48Å; V89-H182 WeakPolarHBondContact CA-O 3.48Å; V89-H182 HydrophobicContact CG2-CB 4.38Å; V89-C184 HydrophobicContact CG2-CB 4.47Å; V89-C184 WeakPolarHBondContact CG2-SG 3.08Å
90	A	98.8	Very high	95.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	138.1	175.6	0	0	0	0	0	111.8	V135 T138 F139 H182 V183 C184	A90-V135 HydrophobicContact CB-CB 3.57Å; A90-V135 HydrophobicContact CB-CG1 3.52Å; A90-V135 HydrophobicContact CB-CG2 3.98Å; A90-T138 WeakPolarHBondContact CB-O 3.23Å; A90-F139 HydrophobicContact CB-CB 3.94Å; A90-H182 PolarHBondContact N-O 3.13Å; A90-V183 WeakPolarHBondContact O-CA 3.08Å; A90-C184 PolarHBondContact O-N 2.86Å
91	P	98.5	Very high	95.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	126.3	162.6	29.3	-27.8	0	0	0	108.8	T77 L81 L93 N101 T138 Y189	T77-P91 HydrophobicContact CG2-CB 4.08Å; T77-P91 HydrophobicContact CG2-CG 4.03Å; L81-P91 HydrophobicContact CD1-CB 4.32Å; L81-P91 HydrophobicContact CD1-CG 3.97Å; L81-P91 HydrophobicContact CD2-CB 4.19Å; P91-L93 HydrophobicContact CG-CD2 4.44Å; P91-L93 PolarHBondContact O-N 3.44Å; P91-L93 VanDerWaalsContact O-N 3.1Å; P91-N101 PolarHBondContact O-ND2 3.25Å; P91-T138 WeakPolarHBondContact CD-O 3.46Å; P91-T138 HydrophobicContact CG-CG2 3.94Å; P91-Y189 VanDerWaalsContact CB-CB 3.48Å; P91-Y189 HydrophobicContact CB-CD1 3.68Å; P91-Y189 HydrophobicContact CB-CD2 3.7Å; P91-Y189 HydrophobicContact CB-CE1 4.28Å; P91-Y189 HydrophobicContact CB-CE2 4.31Å; P91-Y189 HydrophobicContact CB-CG 3.34Å
92	M	98.5	Very high	95.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.2	C	C	.	.			trans	-67.8	114.3	175.9	-162.8	174.3	80	0	0	110	F102 T121 K122 R124 V183 C184 N185	M92-F102 HydrophobicContact CG-CD1 4.07Å; M92-F102 HydrophobicContact CG-CE1 3.63Å; M92-F102 HydrophobicContact SD-CD1 4.39Å; M92-F102 HydrophobicContact SD-CE1 3.48Å; M92-F102 WeakPolarHBondContact SD-CE1 3.3Å; M92-F102 HydrophobicContact SD-CZ 3.84Å; M92-T121 WeakPolarHBondContact CE-O 3.33Å; M92-T121 HydrophobicContact SD-CG2 4.24Å; M92-K122 VanDerWaalsContact CE-O 3.26Å; M92-K122 WeakPolarHBondContact CE-O 3.43Å; M92-R124 HydrophobicContact CE-CG 3.87Å; M92-R124 PolarHBondContact O-NH2 3.48Å; M92-V183 HydrophobicContact CB-CG2 3.73Å; M92-V183 HydrophobicContact CG-CG2 4.04Å; M92-C184 WeakPolarHBondContact CB-O 3.47Å; M92-C184 PolarHBondContact N-O 3.36Å; M92-N185 HydrophobicContact CB-CB 3.85Å; M92-N185 HydrophobicContact CE-CB 3.52Å; M92-N185 HydrophobicContact CG-CB 4.42Å; M92-N185 HydrophobicContact SD-CB 3.73Å
93	L	97.4	Very high	95.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.189	C	C	.	.			trans	-88.3	138.3	178.7	-58.3	-179.4	0	0	0	110.5	N70 L72 P91 N101 M192	N70-L93 HydrophobicContact CB-CD1 3.81Å; N70-L93 VanDerWaalsContact CG-CD1 3.46Å; N70-L93 VanDerWaalsContact ND2-CD1 3.27Å; N70-L93 WeakPolarHBondContact ND2-CD1 3.38Å; L72-L93 HydrophobicContact CD2-CD2 3.82Å; P91-L93 HydrophobicContact CG-CD2 4.44Å; P91-L93 PolarHBondContact O-N 3.44Å; P91-L93 VanDerWaalsContact O-N 3.1Å; L93-N101 PolarHBondContact N-OD1 3.32Å; L93-M192 HydrophobicContact CB-CB 3.89Å; L93-M192 HydrophobicContact CB-CG 3.94Å; L93-M192 HydrophobicContact CB-SD 4.19Å; L93-M192 HydrophobicContact CD1-CB 3.9Å
94	D	94.8	Very high	95.8	Very high	22 Å²	22	30.6 Å²	30.6	12%	0.118	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-80.9	148.4	175.6	-72	-36.7	0	0	0	110.2	R124 R188 G190 Y191 M192	D94-R124 IonicContact OD1-CZ 3.16Å; D94-R124 IonicContact OD1-NH1 3.05Å; D94-R124 PolarHBondContact OD1-NH1 3.46Å; D94-R124 IonicContact OD1-NH2 3.24Å; D94-R124 PolarHBondContact OD1-NH2 3.32Å; D94-R124 IonicContact OD2-CZ 2.74Å; D94-R124 IonicContact OD2-NH1 3.83Å; D94-R124 IonicContact OD2-NH2 2.83Å; D94-R124 PolarHBondContact OD2-NH2 2.67Å; D94-R188 IonicContact OD1-NH1 3.26Å; D94-R188 PolarHBondContact OD1-NH1 3.29Å; D94-R188 VanDerWaalsContact OD2-CD 3.29Å; D94-R188 WeakPolarHBondContact OD2-CD 3.28Å; D94-R188 IonicContact OD2-CZ 2.75Å; D94-R188 IonicContact OD2-NE 3.83Å; D94-R188 IonicContact OD2-NH1 2.63Å; D94-R188 PolarHBondContact OD2-NH1 3.45Å; D94-G190 PolarHBondContact N-O 3.44Å; D94-Y191 HydrophobicContact CB-CD1 4.03Å; D94-Y191 HydrophobicContact CB-CE1 4.23Å; D94-Y191 CarbonylContact O-C 3.45Å; D94-Y191 WeakPolarHBondContact O-CA 3.28Å; D94-M192 PolarHBondContact O-N 2.54Å
95	S	92.7	Very high	95.7	Very high	17 Å²	17	27.3 Å²	27.3	12%	0.119	15%	0.148	C	C	.	.			trans	-148.6	159.2	-176.5	68.8	0	0	0	0	108.5	T97 Y99 K122	S95-T97 PolarHBondContact O-N 3.35Å; S95-T97 PolarHBondContact OG-O 2.93Å; S95-Y99 PolarHBondContact OG-O 3.32Å; S95-K122 PolarHBondContact OG-NZ 3.32Å
96	Q	85.8	Confident	95.6	Very high	66 Å²	66	25.5 Å²	25.5	31%	0.308	12%	0.123	S	C	.	.	S	Bend	trans	-63.9	-18.9	-179.1	-76.3	172.6	-0.5	0	0	114.4	V194 E215	Q96-V194 HydrophobicContact CB-CG2 4.42Å; Q96-E215 WeakPolarHBondContact CG-OE2 3.07Å
97	T	87.8	Confident	95.5	Very high	68 Å²	68	25.2 Å²	25.2	42%	0.417	12%	0.123	S	C	.	.	S	Bend	trans	-128.1	-168.4	-173.7	69.9	0	0	0	0	110.7	S95 Y99 V194	S95-T97 PolarHBondContact O-N 3.35Å; S95-T97 PolarHBondContact OG-O 2.93Å; T97-Y99 PolarHBondContact O-N 3.24Å; T97-Y99 WeakPolarHBondContact OG1-CB 3.43Å; T97-Y99 PolarHBondContact OG1-N 2.64Å; T97-V194 HydrophobicContact CG2-CG2 4.11Å
98	Y	90.2	Very high	95.3	Very high	143 Å²	143	29.1 Å²	29.1	56%	0.561	15%	0.149	S	C	*	.	S	Bend	trans	-81.5	16.9	167.8	-57.4	-53.6	0	0	0	113.1	Y118 F119	Y98-Y118 PolarHBondContact O-OH 2.83Å; Y98-F119 HydrophobicContact CD1-CD1 4.11Å; Y98-F119 AromaticContact CD1-CE1 3.54Å; Y98-F119 HydrophobicContact CD1-CE1 3.54Å; Y98-F119 HydrophobicContact CD2-CE1 4.01Å; Y98-F119 HydrophobicContact CD2-CZ 4.45Å; Y98-F119 HydrophobicContact CE1-CD1 4.04Å; Y98-F119 AromaticContact CE1-CE1 3.56Å; Y98-F119 HydrophobicContact CE1-CE1 3.56Å; Y98-F119 HydrophobicContact CE2-CE1 4.03Å; Y98-F119 AromaticContact CG-CE1 3.76Å; Y98-F119 HydrophobicContact CG-CE1 3.76Å; Y98-F119 AromaticContact CZ-CE1 3.81Å
99	Y	91.9	Very high	95.1	Very high	76 Å²	76	34.7 Å²	34.7	30%	0.298	18%	0.175	S	C	.	.			trans	-75	143.7	166.9	-173.4	-113.5	0	0	0	110	S95 T97 K122 H136 M192 P195	S95-Y99 PolarHBondContact OG-O 3.32Å; T97-Y99 PolarHBondContact O-N 3.24Å; T97-Y99 WeakPolarHBondContact OG1-CB 3.43Å; T97-Y99 PolarHBondContact OG1-N 2.64Å; Y99-K122 VanDerWaalsContact O-CE 3.28Å; Y99-K122 WeakPolarHBondContact O-CE 3.44Å; Y99-H136 AromaticContact CZ-CE1 3.84Å; Y99-H136 PolarHBondContact OH-CE1 2.87Å; Y99-H136 VanDerWaalsContact OH-CE1 3.25Å; Y99-M192 HydrophobicContact CD1-CE 3.76Å; Y99-M192 HydrophobicContact CD1-SD 4.28Å; Y99-M192 HydrophobicContact CE1-CE 3.31Å; Y99-M192 HydrophobicContact CE1-SD 4.39Å; Y99-P195 HydrophobicContact CD1-CG 4.46Å; Y99-P195 HydrophobicContact CE1-CG 3.94Å; Y99-P195 HydrophobicContact CE2-CG 4.03Å
100	S	95.4	Very high	94.9	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.028	18%	0.175	C	C	.	.			trans	-154.8	155.6	-178.7	59.2	0	0	0	0	111.6	F102 Y118 H136	S100-F102 VanDerWaalsContact CB-CE1 3.46Å; S100-F102 PolarHBondContact O-N 3.13Å; S100-F102 WeakPolarHBondContact OG-CE1 3.48Å; S100-F102 PolarHBondContact OG-O 3.47Å; S100-Y118 WeakPolarHBondContact OG-CE2 3.42Å; S100-Y118 PolarHBondContact OG-OH 3.46Å; S100-H136 PolarHBondContact O-NE2 3.09Å; S100-H136 VanDerWaalsContact O-NE2 3.08Å
101	N	97.7	Very high	94.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-75.5	23.8	178.9	69.7	-41.7	0	0	0	114.5	P91 L93 V135 H136 M192	P91-N101 PolarHBondContact O-ND2 3.25Å; L93-N101 PolarHBondContact N-OD1 3.32Å; N101-V135 CarbonylContact O-C 3.46Å; N101-V135 VanDerWaalsContact O-CA 3.28Å; N101-V135 WeakPolarHBondContact O-CA 3.48Å; N101-H136 WeakPolarHBondContact CA-NE2 3.32Å; N101-H136 WeakPolarHBondContact CB-O 3.07Å; N101-H136 PolarHBondContact O-N 2.84Å; N101-M192 HydrophobicContact CB-CE 3.95Å; N101-M192 HydrophobicContact CB-SD 3.72Å; N101-M192 PolarHBondContact N-SD 3.17Å
102	F	98.2	Very high	94.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	153.8	179.7	72.9	-80.8	0	0	0	110.9	M92 S100 C104 Y118 T121 K122 V132 M134 V135 V183	M92-F102 HydrophobicContact CG-CD1 4.07Å; M92-F102 HydrophobicContact CG-CE1 3.63Å; M92-F102 HydrophobicContact SD-CD1 4.39Å; M92-F102 HydrophobicContact SD-CE1 3.48Å; M92-F102 WeakPolarHBondContact SD-CE1 3.3Å; M92-F102 HydrophobicContact SD-CZ 3.84Å; S100-F102 VanDerWaalsContact CB-CE1 3.46Å; S100-F102 PolarHBondContact O-N 3.13Å; S100-F102 WeakPolarHBondContact OG-CE1 3.48Å; S100-F102 PolarHBondContact OG-O 3.47Å; F102-C104 VanDerWaalsContact CE2-SG 3.54Å; F102-Y118 HydrophobicContact CE2-CD2 4.09Å; F102-Y118 HydrophobicContact CE2-CE2 4.06Å; F102-Y118 HydrophobicContact CZ-CD2 4.35Å; F102-Y118 AromaticContact CZ-CE2 4Å; F102-Y118 HydrophobicContact CZ-CE2 4Å; F102-T121 HydrophobicContact CE2-CG2 3.94Å; F102-T121 HydrophobicContact CZ-CG2 3.91Å; F102-K122 HydrophobicContact CE1-CD 4.42Å; F102-K122 HydrophobicContact CZ-CB 4.32Å; F102-V132 HydrophobicContact CD2-CG1 4.13Å; F102-M134 VanDerWaalsContact CA-O 3.28Å; F102-M134 WeakPolarHBondContact CA-O 3.41Å; F102-V135 HydrophobicContact CB-CG1 4.08Å; F102-V183 HydrophobicContact CB-CB 4.12Å; F102-V183 HydrophobicContact CB-CG1 4.35Å; F102-V183 HydrophobicContact CB-CG2 4.16Å; F102-V183 HydrophobicContact CD1-CG2 3.89Å; F102-V183 HydrophobicContact CD2-CG1 3.89Å; F102-V183 HydrophobicContact CE1-CG2 4.49Å; F102-V183 HydrophobicContact CE2-CG1 4.31Å; F102-V183 HydrophobicContact CG-CB 4.16Å; F102-V183 HydrophobicContact CG-CG1 4Å; F102-V183 HydrophobicContact CG-CG2 4Å
103	W	97.9	Very high	94.3	Very high	36 Å²	36	51.1 Å²	51.1	14%	0.136	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139	169	-68.1	-4.1	0	0	0	110.6	G105 I106 Y112 V132 P133 M134 I167 I168	W103-G105 VanDerWaalsContact C-N 3.34Å; W103-I106 HydrophobicContact CE3-CD1 4.25Å; W103-I106 HydrophobicContact CE3-CG1 3.77Å; W103-I106 HydrophobicContact CZ3-CG1 4.24Å; W103-Y112 HydrophobicContact CB-CD2 3.91Å; W103-Y112 HydrophobicContact CB-CE2 4.31Å; W103-Y112 AromaticContact CD1-CD2 3.64Å; W103-Y112 AromaticContact CD2-CD2 3.66Å; W103-Y112 HydrophobicContact CD2-CD2 3.66Å; W103-Y112 HydrophobicContact CD2-CG 4.19Å; W103-Y112 HydrophobicContact CE3-CD2 4.31Å; W103-Y112 AromaticContact CG-CD2 3.45Å; W103-Y112 HydrophobicContact CG-CD2 3.45Å; W103-Y112 VanDerWaalsContact CG-CD2 3.45Å; W103-Y112 HydrophobicContact CG-CE2 4.12Å; W103-Y112 HydrophobicContact CG-CG 4.39Å; W103-Y112 AromaticContact NE1-CD2 3.97Å; W103-V132 WeakPolarHBondContact O-CB 3.23Å; W103-P133 WeakPolarHBondContact O-CD 3.5Å; W103-P133 WeakPolarHBondContact O-CG 3.29Å; W103-M134 HydrophobicContact CB-CB 4.49Å; W103-M134 HydrophobicContact CB-CE 4.04Å; W103-M134 HydrophobicContact CD2-CE 3.14Å; W103-M134 HydrophobicContact CE3-CE 3.73Å; W103-M134 HydrophobicContact CG-CE 3.28Å; W103-M134 HydrophobicContact CH2-CE 4.33Å; W103-M134 HydrophobicContact CZ2-CE 3.84Å; W103-M134 HydrophobicContact CZ3-CE 4.28Å; W103-M134 PolarHBondContact N-O 2.88Å; W103-M134 VanDerWaalsContact NE1-CE 3.32Å; W103-I167 HydrophobicContact CH2-CD1 4.4Å; W103-I167 HydrophobicContact CZ2-CD1 3.93Å; W103-I168 HydrophobicContact CH2-CD1 4.15Å; W103-I168 HydrophobicContact CH2-CG1 4.06Å; W103-I168 HydrophobicContact CZ3-CG1 4.33Å
104	C	96.9	Very high	94.1	Very high	20 Å²	20	57.1 Å²	57.1	14%	0.135	26%	0.261	C	S	.	.	S	Bend	trans	-86.1	-1.9	173.7	-69.3	0	0	0	0	114.4	F102 T115 Y118	F102-C104 VanDerWaalsContact CE2-SG 3.54Å; C104-T115 HydrophobicContact CB-CG2 4.33Å; C104-T115 WeakPolarHBondContact CB-OG1 3.49Å; C104-T115 VanDerWaalsContact O-CG2 3.28Å; C104-T115 WeakPolarHBondContact O-CG2 3.12Å; C104-Y118 HydrophobicContact CB-CD2 4.49Å
105	G	96.3	Very high	94.1	Very high	2 Å²	2	57.7 Å²	57.7	2%	0.021	27%	0.265	C	S	.	.			trans	-163.3	148.3	-178.6	0	0	0	0	0	111.8	W103 R113	W103-G105 VanDerWaalsContact C-N 3.34Å; G105-R113 CarbonylContact C-O 3.49Å; G105-R113 WeakPolarHBondContact CA-O 3.5Å; G105-R113 PolarHBondContact N-O 3.37Å; G105-R113 PolarHBondContact O-N 2.9Å
106	I	96.3	Very high	94.3	Very high	23 Å²	23	61.1 Å²	61.1	12%	0.118	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-126.9	140.2	172.6	-72.6	-179.4	0	0	0	108.2	W103 Y111 P133 M134 W162 A171	W103-I106 HydrophobicContact CE3-CD1 4.25Å; W103-I106 HydrophobicContact CE3-CG1 3.77Å; W103-I106 HydrophobicContact CZ3-CG1 4.24Å; I106-Y111 CarbonylContact C-O 3.55Å; I106-Y111 VanDerWaalsContact CA-O 3.27Å; I106-Y111 WeakPolarHBondContact CA-O 3.31Å; I106-P133 HydrophobicContact CB-CB 4.35Å; I106-P133 HydrophobicContact CD1-CB 3.77Å; I106-P133 HydrophobicContact CD1-CG 4.3Å; I106-P133 HydrophobicContact CG1-CB 3.9Å; I106-P133 HydrophobicContact CG1-CG 3.97Å; I106-M134 HydrophobicContact CD1-CB 4.08Å; I106-W162 HydrophobicContact CD1-CZ3 4.32Å; I106-W162 HydrophobicContact CG2-CH2 3.79Å; I106-W162 HydrophobicContact CG2-CZ2 4.25Å; I106-W162 HydrophobicContact CG2-CZ3 4.05Å; I106-A171 HydrophobicContact CD1-CB 4.1Å
107	T	95.9	Very high	94.8	Very high	31 Å²	31	62.2 Å²	62.2	19%	0.19	30%	0.3	C	S	.	.			trans	-75.9	162.1	171.5	68.8	0	0	0	0	110.4	Q109 G110 Y111 R113	T107-Q109 PolarHBondContact O-N 2.91Å; T107-Q109 PolarHBondContact OG1-N 3.12Å; T107-G110 PolarHBondContact O-N 3.38Å; T107-Y111 PolarHBondContact N-O 3.44Å; T107-Y111 PolarHBondContact OG1-N 3.5Å; T107-Y111 VanDerWaalsContact OG1-N 3.13Å; T107-R113 HydrophobicContact CG2-CB 3.98Å; T107-R113 HydrophobicContact CG2-CG 4.45Å
108	P	93.9	Very high	95.2	Very high	104 Å²	104	59.1 Å²	59.1	68%	0.675	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-22.4	174.7	-25.6	35.5	0	0	0	114.2	W162	P108-W162 PolarHBondContact O-NE1 3.46Å
109	Q	94.3	Very high	95.5	Very high	117 Å²	117	55.7 Å²	55.7	55%	0.547	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	3.5	176.8	-62.4	74.1	31	0	0	113.8	T107 Y111 P163	T107-Q109 PolarHBondContact O-N 2.91Å; T107-Q109 PolarHBondContact OG1-N 3.12Å; Q109-Y111 HydrophobicContact CB-CD2 3.91Å; Q109-Y111 HydrophobicContact CB-CE2 4.17Å; Q109-P163 WeakPolarHBondContact O-CD 3.29Å
110	G	94.2	Very high	95.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	89.1	5.8	176	0	0	0	0	0	115.8	T107	T107-G110 PolarHBondContact O-N 3.38Å
111	Y	94.4	Very high	95.8	Very high	136 Å²	136	53.6 Å²	53.6	53%	0.533	26%	0.264	S	S	.	.			trans	-91.1	158.6	-179.1	-68.1	-79.7	0	0	0	112.8	I106 T107 Q109 R113 P163	I106-Y111 CarbonylContact C-O 3.55Å; I106-Y111 VanDerWaalsContact CA-O 3.27Å; I106-Y111 WeakPolarHBondContact CA-O 3.31Å; T107-Y111 PolarHBondContact N-O 3.44Å; T107-Y111 PolarHBondContact OG1-N 3.5Å; T107-Y111 VanDerWaalsContact OG1-N 3.13Å; Q109-Y111 HydrophobicContact CB-CD2 3.91Å; Q109-Y111 HydrophobicContact CB-CE2 4.17Å; Y111-R113 PolarHBondContact O-N 2.91Å; Y111-P163 HydrophobicContact CD1-CG 4.22Å; Y111-P163 HydrophobicContact CD2-CG 4.32Å; Y111-P163 HydrophobicContact CE1-CB 4.32Å; Y111-P163 HydrophobicContact CE1-CG 3.55Å; Y111-P163 HydrophobicContact CE2-CG 3.66Å; Y111-P163 WeakPolarHBondContact OH-CG 3.04Å
112	Y	93.7	Very high	95.8	Very high	75 Å²	75	54.3 Å²	54.3	29%	0.294	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-50.9	131.9	171.6	172.4	-114.7	0	0	0	112	W103 R114	W103-Y112 HydrophobicContact CB-CD2 3.91Å; W103-Y112 HydrophobicContact CB-CE2 4.31Å; W103-Y112 AromaticContact CD1-CD2 3.64Å; W103-Y112 AromaticContact CD2-CD2 3.66Å; W103-Y112 HydrophobicContact CD2-CD2 3.66Å; W103-Y112 HydrophobicContact CD2-CG 4.19Å; W103-Y112 HydrophobicContact CE3-CD2 4.31Å; W103-Y112 AromaticContact CG-CD2 3.45Å; W103-Y112 HydrophobicContact CG-CD2 3.45Å; W103-Y112 VanDerWaalsContact CG-CD2 3.45Å; W103-Y112 HydrophobicContact CG-CE2 4.12Å; W103-Y112 HydrophobicContact CG-CG 4.39Å; W103-Y112 AromaticContact NE1-CD2 3.97Å; Y112-R114 HydrophobicContact CE1-CB 4.08Å
113	R	94.8	Very high	95.7	Very high	133 Å²	133	58 Å²	58	50%	0.502	29%	0.287	S	S	.	.			trans	-127.1	115.9	170.3	-172.1	-176.3	69.5	174.4	-1.2	109.6	G105 T107 Y111	G105-R113 CarbonylContact C-O 3.49Å; G105-R113 WeakPolarHBondContact CA-O 3.5Å; G105-R113 PolarHBondContact N-O 3.37Å; G105-R113 PolarHBondContact O-N 2.9Å; T107-R113 HydrophobicContact CG2-CB 3.98Å; T107-R113 HydrophobicContact CG2-CG 4.45Å; Y111-R113 PolarHBondContact O-N 2.91Å
114	R	92.8	Very high	95.6	Very high	127 Å²	127	57.3 Å²	57.3	48%	0.479	28%	0.284	S	S	.	.			trans	-63.9	137.3	171.8	-170.7	178.3	-64.2	-86.8	-2	110.2	Y112 F119	Y112-R114 HydrophobicContact CE1-CB 4.08Å; R114-F119 VanDerWaalsContact NH1-CE2 3.3Å
115	T	95.8	Very high	95.7	Very high	34 Å²	34	63 Å²	63	21%	0.209	31%	0.309	C	S	.	.			trans	-126.2	166.7	174.4	71.9	0	0	0	0	110.5	C104 E117 Y118	C104-T115 HydrophobicContact CB-CG2 4.33Å; C104-T115 WeakPolarHBondContact CB-OG1 3.49Å; C104-T115 VanDerWaalsContact O-CG2 3.28Å; C104-T115 WeakPolarHBondContact O-CG2 3.12Å; T115-E117 PolarHBondContact O-N 2.67Å; T115-E117 PolarHBondContact OG1-N 3.33Å; T115-Y118 WeakPolarHBondContact O-CB 3.26Å; T115-Y118 PolarHBondContact O-N 2.82Å
116	A	96.5	Very high	95.6	Very high	89 Å²	89	67.9 Å²	67.9	74%	0.736	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.3	176.5	0	0	0	0	0	112.9	Y118 P120	A116-Y118 VanDerWaalsContact C-N 3.32Å; A116-Y118 PolarHBondContact O-N 2.73Å; A116-P120 WeakPolarHBondContact O-CD 3.3Å; A116-P120 WeakPolarHBondContact O-CG 3.27Å
117	E	95.2	Very high	95.7	Very high	88 Å²	88	74.7 Å²	74.7	41%	0.411	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-15.4	-179.1	-59.7	-56	147.1	0	0	113.8	T115 T121 R126	T115-E117 PolarHBondContact O-N 2.67Å; T115-E117 PolarHBondContact OG1-N 3.33Å; E117-T121 VanDerWaalsContact O-CB 3.27Å; E117-T121 WeakPolarHBondContact O-CB 3.43Å; E117-T121 PolarHBondContact O-N 3.03Å; E117-T121 VanDerWaalsContact O-N 3.09Å; E117-T121 PolarHBondContact O-OG1 2.82Å; E117-R126 IonicContact OE2-CZ 3.01Å; E117-R126 IonicContact OE2-NH1 2.64Å; E117-R126 PolarHBondContact OE2-NH1 3.05Å
118	Y	96.8	Very high	95.8	Very high	4 Å²	4	73.8 Å²	73.8	2%	0.016	35%	0.348	C	S	.	.	H	α-helix	trans	-62.4	-57.6	-171.9	-178	-101.2	0	0	0	112.8	Y98 S100 F102 C104 T115 A116 T121 K122	Y98-Y118 PolarHBondContact O-OH 2.83Å; S100-Y118 WeakPolarHBondContact OG-CE2 3.42Å; S100-Y118 PolarHBondContact OG-OH 3.46Å; F102-Y118 HydrophobicContact CE2-CD2 4.09Å; F102-Y118 HydrophobicContact CE2-CE2 4.06Å; F102-Y118 HydrophobicContact CZ-CD2 4.35Å; F102-Y118 AromaticContact CZ-CE2 4Å; F102-Y118 HydrophobicContact CZ-CE2 4Å; C104-Y118 HydrophobicContact CB-CD2 4.49Å; T115-Y118 WeakPolarHBondContact O-CB 3.26Å; T115-Y118 PolarHBondContact O-N 2.82Å; A116-Y118 VanDerWaalsContact C-N 3.32Å; A116-Y118 PolarHBondContact O-N 2.73Å; Y118-T121 PolarHBondContact O-N 2.83Å; Y118-K122 HydrophobicContact CE1-CB 4.37Å; Y118-K122 WeakPolarHBondContact O-CB 3.44Å; Y118-K122 PolarHBondContact O-N 3.13Å
119	F	96.8	Very high	96	Very high	70 Å²	70	70.5 Å²	70.5	31%	0.307	33%	0.327	S	S	.	.	H	α-helix	trans	-66.8	-42.6	-177.7	-71.4	-69.6	0	0	0	113	Y98 R114 T121 K122 N123	Y98-F119 HydrophobicContact CD1-CD1 4.11Å; Y98-F119 AromaticContact CD1-CE1 3.54Å; Y98-F119 HydrophobicContact CD1-CE1 3.54Å; Y98-F119 HydrophobicContact CD2-CE1 4.01Å; Y98-F119 HydrophobicContact CD2-CZ 4.45Å; Y98-F119 HydrophobicContact CE1-CD1 4.04Å; Y98-F119 AromaticContact CE1-CE1 3.56Å; Y98-F119 HydrophobicContact CE1-CE1 3.56Å; Y98-F119 HydrophobicContact CE2-CE1 4.03Å; Y98-F119 AromaticContact CG-CE1 3.76Å; Y98-F119 HydrophobicContact CG-CE1 3.76Å; Y98-F119 AromaticContact CZ-CE1 3.81Å; R114-F119 VanDerWaalsContact NH1-CE2 3.3Å; F119-T121 PolarHBondContact O-N 2.89Å; F119-K122 PolarHBondContact O-N 3.14Å; F119-N123 WeakPolarHBondContact O-CB 3.43Å; F119-N123 PolarHBondContact O-N 2.85Å
120	P	97.1	Very high	96.2	Very high	34 Å²	34	66.1 Å²	66.1	22%	0.221	31%	0.306	C	S	.	.	H	α-helix	trans	-57	-37.1	173.8	-27.8	36	0	0	0	113.6	A116 R124 Q125 R126	A116-P120 WeakPolarHBondContact O-CD 3.3Å; A116-P120 WeakPolarHBondContact O-CG 3.27Å; P120-R124 PolarHBondContact O-N 2.85Å; P120-Q125 HydrophobicContact CB-CB 4.26Å; P120-Q125 PolarHBondContact O-N 2.96Å; P120-R126 HydrophobicContact CB-CG 4.08Å; P120-R126 PolarHBondContact O-N 3.24Å; P120-R126 VanDerWaalsContact O-N 3.08Å
121	T	97.4	Very high	96.4	Very high	3 Å²	3	75.1 Å²	75.1	2%	0.018	34%	0.34	C	S	.	.	H	α-helix	trans	-73.5	-53.7	177	-55.2	0	0	0	0	111.5	M92 F102 E117 Y118 F119 N123 R124 F130 V183 N185	M92-T121 WeakPolarHBondContact CE-O 3.33Å; M92-T121 HydrophobicContact SD-CG2 4.24Å; F102-T121 HydrophobicContact CE2-CG2 3.94Å; F102-T121 HydrophobicContact CZ-CG2 3.91Å; E117-T121 VanDerWaalsContact O-CB 3.27Å; E117-T121 WeakPolarHBondContact O-CB 3.43Å; E117-T121 PolarHBondContact O-N 3.03Å; E117-T121 VanDerWaalsContact O-N 3.09Å; E117-T121 PolarHBondContact O-OG1 2.82Å; Y118-T121 PolarHBondContact O-N 2.83Å; F119-T121 PolarHBondContact O-N 2.89Å; T121-N123 VanDerWaalsContact C-N 3.33Å; T121-N123 PolarHBondContact O-N 3.12Å; T121-R124 PolarHBondContact O-N 3.1Å; T121-R124 VanDerWaalsContact O-N 3.08Å; T121-F130 HydrophobicContact CG2-CD2 3.6Å; T121-F130 HydrophobicContact CG2-CE2 4Å; T121-V183 HydrophobicContact CG2-CG1 4.29Å; T121-N185 PolarHBondContact O-ND2 3.39Å
122	K	96.5	Very high	96.6	Very high	14 Å²	14	69 Å²	69	6%	0.061	32%	0.317	C	S	.	.	H	α-helix	trans	-58.9	-42.6	-178.8	179.8	61.5	166.6	86.5	0	112.2	M92 S95 Y99 F102 Y118 F119 R124	M92-K122 VanDerWaalsContact CE-O 3.26Å; M92-K122 WeakPolarHBondContact CE-O 3.43Å; S95-K122 PolarHBondContact OG-NZ 3.32Å; Y99-K122 VanDerWaalsContact O-CE 3.28Å; Y99-K122 WeakPolarHBondContact O-CE 3.44Å; F102-K122 HydrophobicContact CE1-CD 4.42Å; F102-K122 HydrophobicContact CZ-CB 4.32Å; Y118-K122 HydrophobicContact CE1-CB 4.37Å; Y118-K122 WeakPolarHBondContact O-CB 3.44Å; Y118-K122 PolarHBondContact O-N 3.13Å; F119-K122 PolarHBondContact O-N 3.14Å; K122-R124 PolarHBondContact O-N 2.97Å
123	N	96.3	Very high	96.8	Very high	78 Å²	78	67.7 Å²	67.7	42%	0.417	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	4.7	-178.2	-60.8	-17.2	0	0	0	112.8	F119 T121 Q125	F119-N123 WeakPolarHBondContact O-CB 3.43Å; F119-N123 PolarHBondContact O-N 2.85Å; T121-N123 VanDerWaalsContact C-N 3.33Å; T121-N123 PolarHBondContact O-N 3.12Å; N123-Q125 HydrophobicContact CB-CG 4.16Å; N123-Q125 PolarHBondContact O-N 3.43Å
124	R	96.6	Very high	96.9	Very high	21 Å²	21	61.4 Å²	61.4	8%	0.079	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	31.3	-177.9	-65.2	178.3	176.9	71.9	-9.8	114	M92 D94 P120 T121 K122 R126 R127 N185 H187	M92-R124 HydrophobicContact CE-CG 3.87Å; M92-R124 PolarHBondContact O-NH2 3.48Å; D94-R124 IonicContact OD1-CZ 3.16Å; D94-R124 IonicContact OD1-NH1 3.05Å; D94-R124 PolarHBondContact OD1-NH1 3.46Å; D94-R124 IonicContact OD1-NH2 3.24Å; D94-R124 PolarHBondContact OD1-NH2 3.32Å; D94-R124 IonicContact OD2-CZ 2.74Å; D94-R124 IonicContact OD2-NH1 3.83Å; D94-R124 IonicContact OD2-NH2 2.83Å; D94-R124 PolarHBondContact OD2-NH2 2.67Å; P120-R124 PolarHBondContact O-N 2.85Å; T121-R124 PolarHBondContact O-N 3.1Å; T121-R124 VanDerWaalsContact O-N 3.08Å; K122-R124 PolarHBondContact O-N 2.97Å; R124-R126 VanDerWaalsContact C-N 3.25Å; R124-R127 HydrophobicContact CB-CG 4.25Å; R124-N185 WeakPolarHBondContact CD-O 3.46Å; R124-N185 HydrophobicContact CG-CB 4.13Å; R124-N185 PolarHBondContact NE-O 2.63Å; R124-N185 VanDerWaalsContact NE-O 3.09Å; R124-H187 PolarHBondContact NH2-O 3.46Å
125	Q	97.4	Very high	97.2	Very high	141 Å²	141	55.5 Å²	55.5	66%	0.659	27%	0.272	S	S	*	.	S	Bend	trans	-69.7	-30.1	168.9	-59.5	173.3	-24.3	0	0	110.5	P120 N123	P120-Q125 HydrophobicContact CB-CB 4.26Å; P120-Q125 PolarHBondContact O-N 2.96Å; N123-Q125 HydrophobicContact CB-CG 4.16Å; N123-Q125 PolarHBondContact O-N 3.43Å
126	R	95.1	Very high	97.3	Very high	103 Å²	103	54.1 Å²	54.1	39%	0.389	26%	0.263	S	S	.	.	S	Bend	trans	-112.6	134	160.2	60.3	-178.1	-62.4	168.9	6.1	109.4	E117 P120 R124 F130 N185	E117-R126 IonicContact OE2-CZ 3.01Å; E117-R126 IonicContact OE2-NH1 2.64Å; E117-R126 PolarHBondContact OE2-NH1 3.05Å; P120-R126 HydrophobicContact CB-CG 4.08Å; P120-R126 PolarHBondContact O-N 3.24Å; P120-R126 VanDerWaalsContact O-N 3.08Å; R124-R126 VanDerWaalsContact C-N 3.25Å; R126-F130 HydrophobicContact CB-CZ 4.01Å; R126-F130 HydrophobicContact CG-CE1 4.3Å; R126-F130 HydrophobicContact CG-CE2 4.06Å; R126-F130 HydrophobicContact CG-CZ 3.7Å; R126-F130 VanDerWaalsContact CZ-CE1 3.48Å; R126-F130 VanDerWaalsContact NH2-CD1 3.28Å; R126-N185 PolarHBondContact O-ND2 3.12Å
127	R	97.6	Very high	97.3	Very high	167 Å²	167	50.4 Å²	50.4	63%	0.63	23%	0.232	S	C	*	.			trans	-114.6	131.6	-179.9	-60.5	-179.8	85.1	177.8	3.8	109.8	R124 N185 E186	R124-R127 HydrophobicContact CB-CG 4.25Å; R127-N185 VanDerWaalsContact CA-OD1 3.23Å; R127-N185 WeakPolarHBondContact CA-OD1 3.38Å; R127-E186 PolarHBondContact NH2-O 2.9Å
128	G	97.9	Very high	97.4	Very high	12 Å²	12	46.2 Å²	46.2	12%	0.124	21%	0.212	C	C	.	.	S	Bend	trans	159	179	-172.8	0	0	0	0	0	112.9	F130 N185 E186	G128-F130 VanDerWaalsContact O-CE2 3.23Å; G128-F130 WeakPolarHBondContact O-CE2 3.28Å; G128-N185 PolarHBondContact N-OD1 3Å; G128-N185 PolarHBondContact O-N 2.75Å; G128-N185 VanDerWaalsContact O-N 3.11Å; G128-N185 PolarHBondContact O-OD1 3.37Å; G128-E186 WeakPolarHBondContact CA-OE1 3.44Å
129	C	98.2	Very high	97.5	Very high	34 Å²	34	46.2 Å²	46.2	23%	0.23	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.7	162.5	-63.3	0	0	0	0	110.2	Q84 L86 V183 C184 E186	Q84-C129 PolarHBondContact OE1-SG 2.03Å; L86-C129 HydrophobicContact CD1-CB 4.09Å; C129-V183 CarbonylContact C-O 3.53Å; C129-V183 WeakPolarHBondContact CA-O 3.37Å; C129-C184 HydrophobicContact CB-CB 4.18Å; C129-C184 WeakPolarHBondContact CB-SG 3.42Å; C129-C184 WeakPolarHBondContact SG-CB 3.33Å; C129-C184 CovalentContact SG-SG 2.03Å; C129-C184 PolarHBondContact SG-SG 3.13Å; C129-E186 PolarHBondContact N-OE1 3.28Å; C129-E186 PolarHBondContact SG-OE1 3.5Å
130	F	98.4	Very high	97.6	Very high	26 Å²	26	43 Å²	43	11%	0.114	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.3	-174.6	-51.2	-64.7	0	0	0	110.6	T121 R126 G128 V132 H182 V183	T121-F130 HydrophobicContact CG2-CD2 3.6Å; T121-F130 HydrophobicContact CG2-CE2 4Å; R126-F130 HydrophobicContact CB-CZ 4.01Å; R126-F130 HydrophobicContact CG-CE1 4.3Å; R126-F130 HydrophobicContact CG-CE2 4.06Å; R126-F130 HydrophobicContact CG-CZ 3.7Å; R126-F130 VanDerWaalsContact CZ-CE1 3.48Å; R126-F130 VanDerWaalsContact NH2-CD1 3.28Å; G128-F130 VanDerWaalsContact O-CE2 3.23Å; G128-F130 WeakPolarHBondContact O-CE2 3.28Å; F130-V132 PolarHBondContact O-N 2.84Å; F130-H182 CarbonylContact O-C 3.6Å; F130-H182 VanDerWaalsContact O-CA 3.22Å; F130-H182 WeakPolarHBondContact O-CA 3.15Å; F130-V183 PolarHBondContact N-O 2.7Å; F130-V183 PolarHBondContact O-N 3Å
131	R	98.3	Very high	97.7	Very high	188 Å²	188	41.5 Å²	41.5	71%	0.709	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	126.5	171.7	-172.3	175.2	177.2	167.3	1.5	109.2	V181	R131-V181 CarbonylContact C-O 3.57Å; R131-V181 WeakPolarHBondContact CA-O 3.28Å
132	V	98.5	Very high	97.7	Very high	9 Å²	9	41.9 Å²	41.9	6%	0.055	19%	0.191	C	C	.	.			trans	-132.9	152	-179.6	-71.5	0	0	0	0	109.2	F102 W103 F130 M134 V135 V181 V183	F102-V132 HydrophobicContact CD2-CG1 4.13Å; W103-V132 WeakPolarHBondContact O-CB 3.23Å; F130-V132 PolarHBondContact O-N 2.84Å; V132-M134 VanDerWaalsContact C-N 3.29Å; V132-M134 PolarHBondContact O-N 3.04Å; V132-V135 HydrophobicContact CG2-CG1 3.73Å; V132-V181 HydrophobicContact CG2-CG1 4.26Å; V132-V181 PolarHBondContact N-O 2.74Å; V132-V181 WeakPolarHBondContact O-CB 3.19Å; V132-V183 HydrophobicContact CG1-CG1 3.68Å; V132-V183 HydrophobicContact CG2-CB 4.19Å; V132-V183 HydrophobicContact CG2-CG1 4.12Å
133	P	97.8	Very high	97.8	Very high	46 Å²	46	42.5 Å²	42.5	30%	0.299	20%	0.195	S	C	.	.	S	Bend	trans	-70.9	-20.4	178.6	27.4	-38.4	0	0	0	114.4	W103 I106	W103-P133 WeakPolarHBondContact O-CD 3.5Å; W103-P133 WeakPolarHBondContact O-CG 3.29Å; I106-P133 HydrophobicContact CB-CB 4.35Å; I106-P133 HydrophobicContact CD1-CB 3.77Å; I106-P133 HydrophobicContact CD1-CG 4.3Å; I106-P133 HydrophobicContact CG1-CB 3.9Å; I106-P133 HydrophobicContact CG1-CG 3.97Å
134	M	97.9	Very high	97.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	141	-177.6	-176.3	-80.8	-75	0	0	111.7	F102 W103 I106 V132 H136 I167 A171	F102-M134 VanDerWaalsContact CA-O 3.28Å; F102-M134 WeakPolarHBondContact CA-O 3.41Å; W103-M134 HydrophobicContact CB-CB 4.49Å; W103-M134 HydrophobicContact CB-CE 4.04Å; W103-M134 HydrophobicContact CD2-CE 3.14Å; W103-M134 HydrophobicContact CE3-CE 3.73Å; W103-M134 HydrophobicContact CG-CE 3.28Å; W103-M134 HydrophobicContact CH2-CE 4.33Å; W103-M134 HydrophobicContact CZ2-CE 3.84Å; W103-M134 HydrophobicContact CZ3-CE 4.28Å; W103-M134 PolarHBondContact N-O 2.88Å; W103-M134 VanDerWaalsContact NE1-CE 3.32Å; I106-M134 HydrophobicContact CD1-CB 4.08Å; V132-M134 VanDerWaalsContact C-N 3.29Å; V132-M134 PolarHBondContact O-N 3.04Å; M134-H136 HydrophobicContact SD-CB 3.85Å; M134-H136 VanDerWaalsContact SD-CD2 3.56Å; M134-I167 HydrophobicContact CE-CD1 3.66Å; M134-I167 HydrophobicContact CE-CG1 3.96Å; M134-I167 HydrophobicContact SD-CB 4.2Å; M134-I167 HydrophobicContact SD-CD1 4.34Å; M134-I167 HydrophobicContact SD-CG1 4.24Å; M134-A171 HydrophobicContact CB-CB 3.79Å; M134-A171 HydrophobicContact CG-CB 3.71Å
135	V	98.6	Very high	97.8	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	153.2	163.3	-62.2	0	0	0	0	109	V88 A90 N101 F102 V132 F139 V181 V183	V88-V135 HydrophobicContact CG1-CG2 3.96Å; A90-V135 HydrophobicContact CB-CB 3.57Å; A90-V135 HydrophobicContact CB-CG1 3.52Å; A90-V135 HydrophobicContact CB-CG2 3.98Å; N101-V135 CarbonylContact O-C 3.46Å; N101-V135 VanDerWaalsContact O-CA 3.28Å; N101-V135 WeakPolarHBondContact O-CA 3.48Å; F102-V135 HydrophobicContact CB-CG1 4.08Å; V132-V135 HydrophobicContact CG2-CG1 3.73Å; V135-F139 HydrophobicContact CG2-CB 3.78Å; V135-F139 HydrophobicContact CG2-CD1 4.27Å; V135-F139 HydrophobicContact CG2-CG 3.97Å; V135-V181 HydrophobicContact CB-CG1 4.1Å; V135-V181 HydrophobicContact CG1-CG1 3.72Å; V135-V181 HydrophobicContact CG2-CG1 3.55Å; V135-V183 HydrophobicContact CG1-CB 4.36Å
136	H	97.8	Very high	97.7	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.028	23%	0.227	C	C	.	.			trans	-145.3	177.9	179.1	68.8	90	0	0	0	112	Y99 S100 N101 M134 T138 I167	Y99-H136 AromaticContact CZ-CE1 3.84Å; Y99-H136 PolarHBondContact OH-CE1 2.87Å; Y99-H136 VanDerWaalsContact OH-CE1 3.25Å; S100-H136 PolarHBondContact O-NE2 3.09Å; S100-H136 VanDerWaalsContact O-NE2 3.08Å; N101-H136 WeakPolarHBondContact CA-NE2 3.32Å; N101-H136 WeakPolarHBondContact CB-O 3.07Å; N101-H136 PolarHBondContact O-N 2.84Å; M134-H136 HydrophobicContact SD-CB 3.85Å; M134-H136 VanDerWaalsContact SD-CD2 3.56Å; H136-T138 PolarHBondContact O-N 2.76Å; H136-I167 HydrophobicContact CB-CB 3.87Å; H136-I167 HydrophobicContact CB-CG2 3.52Å
137	S	96.4	Very high	97.8	Very high	11 Å²	11	45.6 Å²	45.6	8%	0.077	21%	0.211	C	C	.	.	S	Bend	trans	60	-55.2	176.4	-57.8	0	0	0	0	117.4	A66 D67 N70	A66-S137 CarbonylContact C-O 3.56Å; A66-S137 VanDerWaalsContact CA-O 3.31Å; A66-S137 WeakPolarHBondContact CA-O 3.33Å; D67-S137 VanDerWaalsContact CG-CA 3.5Å; D67-S137 PolarHBondContact N-O 3.11Å; D67-S137 WeakPolarHBondContact OD2-CA 3.28Å; D67-S137 WeakPolarHBondContact OD2-CB 3.4Å; D67-S137 PolarHBondContact OD2-OG 3.12Å; N70-S137 WeakPolarHBondContact ND2-CB 3.34Å
138	T	98.2	Very high	97.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	119.7	169.8	-57.6	0	0	0	0	110.9	L64 F65 A66 N70 L72 A90 P91 H136	L64-T138 HydrophobicContact CD1-CG2 4.29Å; F65-T138 VanDerWaalsContact O-CA 3.22Å; F65-T138 WeakPolarHBondContact O-CA 3.35Å; A66-T138 HydrophobicContact CB-CG2 4.2Å; N70-T138 WeakPolarHBondContact CB-OG1 3.23Å; N70-T138 PolarHBondContact ND2-OG1 3.03Å; L72-T138 HydrophobicContact CD1-CG2 4.33Å; L72-T138 HydrophobicContact CD2-CG2 4.29Å; A90-T138 WeakPolarHBondContact CB-O 3.23Å; P91-T138 WeakPolarHBondContact CD-O 3.46Å; P91-T138 HydrophobicContact CG-CG2 3.94Å; H136-T138 PolarHBondContact O-N 2.76Å
139	F	98.7	Very high	97.6	Very high	3 Å²	3	42.8 Å²	42.8	1%	0.013	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	152.1	176	61.4	-87.4	0	0	0	111.7	F65 V88 V89 A90 V135 F153 F170	F65-F139 HydrophobicContact CB-CD1 4.37Å; F65-F139 HydrophobicContact CB-CE1 3.99Å; F65-F139 HydrophobicContact CB-CE2 4.35Å; F65-F139 HydrophobicContact CB-CZ 3.98Å; F65-F139 HydrophobicContact CD2-CD2 4.21Å; F65-F139 HydrophobicContact CD2-CE1 4.49Å; F65-F139 AromaticContact CD2-CE2 3.48Å; F65-F139 HydrophobicContact CD2-CE2 3.48Å; F65-F139 VanDerWaalsContact CD2-CE2 3.48Å; F65-F139 AromaticContact CD2-CZ 3.65Å; F65-F139 HydrophobicContact CD2-CZ 3.65Å; F65-F139 HydrophobicContact CE2-CE2 4.14Å; F65-F139 HydrophobicContact CE2-CZ 4.39Å; F65-F139 HydrophobicContact CG-CE1 4.44Å; F65-F139 HydrophobicContact CG-CE2 4.2Å; F65-F139 AromaticContact CG-CZ 3.95Å; F65-F139 HydrophobicContact CG-CZ 3.95Å; F65-F139 PolarHBondContact N-O 2.66Å; F65-F139 PolarHBondContact O-N 2.68Å; V88-F139 HydrophobicContact CG1-CD2 4.01Å; V89-F139 WeakPolarHBondContact O-CA 3.41Å; A90-F139 HydrophobicContact CB-CB 3.94Å; V135-F139 HydrophobicContact CG2-CB 3.78Å; V135-F139 HydrophobicContact CG2-CD1 4.27Å; V135-F139 HydrophobicContact CG2-CG 3.97Å; F139-F153 HydrophobicContact CE2-CZ 4.28Å; F139-F153 HydrophobicContact CZ-CE1 4.05Å; F139-F153 AromaticContact CZ-CZ 3.8Å; F139-F153 HydrophobicContact CZ-CZ 3.8Å; F139-F170 HydrophobicContact CD2-CE1 4.27Å; F139-F170 HydrophobicContact CE1-CE1 4.43Å; F139-F170 HydrophobicContact CE2-CD1 4.36Å; F139-F170 AromaticContact CE2-CE1 3.46Å; F139-F170 HydrophobicContact CE2-CE1 3.46Å; F139-F170 VanDerWaalsContact CE2-CE1 3.46Å; F139-F170 AromaticContact CE2-CZ 3.74Å; F139-F170 HydrophobicContact CE2-CZ 3.74Å; F139-F170 HydrophobicContact CZ-CD1 4.01Å; F139-F170 AromaticContact CZ-CE1 3.56Å; F139-F170 HydrophobicContact CZ-CE1 3.56Å; F139-F170 HydrophobicContact CZ-CZ 4.08Å
140	L	98.8	Very high	97.5	Very high	2 Å²	2	47 Å²	47	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.9	174.2	-172.2	75	0	0	0	108.9	Y62 I63 L64 L78 L81 M82 V88 V89	Y62-L140 HydrophobicContact CD1-CD1 4.38Å; Y62-L140 HydrophobicContact CD1-CD2 3.74Å; Y62-L140 HydrophobicContact CD1-CG 3.92Å; Y62-L140 HydrophobicContact CE1-CD2 4.25Å; Y62-L140 HydrophobicContact CG-CD1 4.42Å; Y62-L140 HydrophobicContact CG-CD2 4.34Å; Y62-L140 HydrophobicContact CG-CG 4.45Å; I63-L140 WeakPolarHBondContact O-CA 3.34Å; L64-L140 HydrophobicContact CB-CD1 3.92Å; L64-L140 HydrophobicContact CD1-CB 4.16Å; L64-L140 HydrophobicContact CD1-CD1 4.23Å; L78-L140 HydrophobicContact CD1-CD1 3.66Å; L78-L140 HydrophobicContact CD1-CD2 4.48Å; L81-L140 HydrophobicContact CB-CB 4.24Å; L81-L140 HydrophobicContact CB-CD2 3.73Å; L81-L140 HydrophobicContact CD1-CB 4.13Å; M82-L140 HydrophobicContact CB-CD2 4.43Å; M82-L140 HydrophobicContact CG-CD2 3.68Å; V88-L140 WeakPolarHBondContact CA-O 3.16Å; V89-L140 HydrophobicContact CG1-CB 3.96Å; V89-L140 HydrophobicContact CG1-CD2 4.34Å; V89-L140 PolarHBondContact N-O 3.41Å; V89-L140 PolarHBondContact O-N 2.7Å
141	A	98.7	Very high	97.5	Very high	3 Å²	3	46 Å²	46	3%	0.025	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.7	169.7	0	0	0	0	0	110	Y62 I63 P87 V88	Y62-A141 CarbonylContact C-O 3.57Å; Y62-A141 VanDerWaalsContact CA-O 3.24Å; Y62-A141 WeakPolarHBondContact CA-O 3.26Å; I63-A141 HydrophobicContact CG2-CB 3.97Å; I63-A141 PolarHBondContact N-O 3.03Å; I63-A141 PolarHBondContact O-N 3.22Å; P87-A141 CarbonylContact O-C 3.57Å; P87-A141 WeakPolarHBondContact O-CA 3.41Å; V88-A141 HydrophobicContact CG2-CB 4.26Å
142	S	98.3	Very high	97.5	Very high	11 Å²	11	38.4 Å²	38.4	8%	0.077	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	125.2	168.8	-175.3	0	0	0	0	109.6	P87 R144 A148	P87-S142 PolarHBondContact O-N 2.83Å; S142-R144 VanDerWaalsContact C-N 3.29Å; S142-A148 VanDerWaalsContact O-CB 3.25Å; S142-A148 WeakPolarHBondContact O-CB 3.13Å
143	L	98.3	Very high	97.5	Very high	27 Å²	27	38 Å²	38	14%	0.141	19%	0.193	C	C	.	.	S	Bend	trans	-85.4	-5.6	178.5	-60.6	-179.6	0	0	0	112.8	L52 A55 R56 A60 D61 I63	L52-L143 HydrophobicContact CD1-CD2 3.57Å; A55-L143 HydrophobicContact CB-CD1 3.72Å; R56-L143 HydrophobicContact CG-CD1 4.35Å; R56-L143 HydrophobicContact CG-CD2 4.32Å; A60-L143 HydrophobicContact CB-CD1 4.17Å; A60-L143 WeakPolarHBondContact O-CD1 3.22Å; D61-L143 PolarHBondContact O-N 2.91Å; I63-L143 HydrophobicContact CB-CD1 4.43Å; I63-L143 HydrophobicContact CG2-CD1 4.4Å; I63-L143 HydrophobicContact CG2-CD2 3.85Å; I63-L143 HydrophobicContact CG2-CG 4.23Å
144	R	96.3	Very high	97.5	Very high	184 Å²	184	38.9 Å²	38.9	69%	0.694	19%	0.191	S	C	*	.	S	Bend	trans	-103.8	-7.1	178.6	-66.1	-176	171.3	170.6	-1.9	113.8	D61 S142	D61-R144 IonicContact OD1-CZ 2.78Å; D61-R144 IonicContact OD1-NE 2.95Å; D61-R144 PolarHBondContact OD1-NE 3.36Å; D61-R144 IonicContact OD1-NH1 3.46Å; D61-R144 IonicContact OD1-NH2 2.6Å; D61-R144 PolarHBondContact OD1-NH2 3.04Å; D61-R144 IonicContact OD2-CZ 3.14Å; D61-R144 IonicContact OD2-NE 3.83Å; D61-R144 IonicContact OD2-NH1 3.51Å; D61-R144 PolarHBondContact OD2-NH1 3.33Å; D61-R144 IonicContact OD2-NH2 3.22Å; D61-R144 PolarHBondContact OD2-NH2 3.43Å; S142-R144 VanDerWaalsContact C-N 3.29Å
145	A	96.1	Very high	97.5	Very high	28 Å²	28	43.2 Å²	43.2	23%	0.231	22%	0.219	C	C	.	.	S	Bend	trans	-71.7	156.9	-178.9	0	0	0	0	0	112	P87 G147 A148	P87-A145 HydrophobicContact CB-CB 3.58Å; A145-G147 PolarHBondContact O-N 3.15Å; A145-A148 HydrophobicContact CB-CB 4.35Å; A145-A148 WeakPolarHBondContact O-CB 3.32Å; A145-A148 PolarHBondContact O-N 3.28Å
146	E	96.4	Very high	97.4	Very high	190 Å²	190	44.5 Å²	44.5	89%	0.888	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	131.5	175.1	-171	177.1	-177	0	0	110.8	A148	E146-A148 PolarHBondContact O-N 3.47Å
147	G	96.1	Very high	97.4	Very high	7 Å²	7	47.7 Å²	47.7	7%	0.072	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	-3.4	-176	0	0	0	0	0	114.9	A145 D149 Q150	A145-G147 PolarHBondContact O-N 3.15Å; G147-D149 PolarHBondContact O-N 2.84Å; G147-Q150 PolarHBondContact O-N 2.9Å; G147-Q150 VanDerWaalsContact O-N 3.11Å
148	A	95.6	Very high	97.4	Very high	2 Å²	2	53 Å²	53	2%	0.017	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.3	-179.2	0	0	0	0	0	113.2	R56 S142 A145 E146 Q150 L151	R56-A148 PolarHBondContact NH2-O 2.81Å; S142-A148 VanDerWaalsContact O-CB 3.25Å; S142-A148 WeakPolarHBondContact O-CB 3.13Å; A145-A148 HydrophobicContact CB-CB 4.35Å; A145-A148 WeakPolarHBondContact O-CB 3.32Å; A145-A148 PolarHBondContact O-N 3.28Å; E146-A148 PolarHBondContact O-N 3.47Å; A148-Q150 VanDerWaalsContact C-N 3.31Å; A148-L151 PolarHBondContact O-N 2.74Å
149	D	96.2	Very high	97.3	Very high	118 Å²	118	58.4 Å²	58.4	63%	0.631	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-29.6	174.6	63.2	-40.4	0	0	0	112.7	R56 G147	R56-D149 PolarHBondContact NH2-O 2.85Å; G147-D149 PolarHBondContact O-N 2.84Å
150	Q	97.1	Very high	97.2	Very high	122 Å²	122	59.9 Å²	59.9	57%	0.57	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-11.2	179.2	-65.7	171.4	71.5	0	0	113.5	G147 A148 A152 A177	G147-Q150 PolarHBondContact O-N 2.9Å; G147-Q150 VanDerWaalsContact O-N 3.11Å; A148-Q150 VanDerWaalsContact C-N 3.31Å; Q150-A152 PolarHBondContact O-N 2.82Å; Q150-A177 HydrophobicContact CB-CB 3.84Å
151	L	97.6	Very high	97.1	Very high	5 Å²	5	65.6 Å²	65.6	3%	0.026	35%	0.346	C	S	.	.			trans	-63.1	135.8	176.3	-65	178.6	0	0	0	110.8	L52 R56 V88 A148 C174 A177 V179	L52-L151 WeakPolarHBondContact CD2-O 3.48Å; R56-L151 PolarHBondContact NH1-O 2.99Å; R56-L151 PolarHBondContact NH2-O 2.89Å; V88-L151 HydrophobicContact CG2-CD1 4.31Å; A148-L151 PolarHBondContact O-N 2.74Å; L151-C174 HydrophobicContact CD2-CB 4.34Å; L151-A177 HydrophobicContact CD2-CB 4.25Å; L151-V179 HydrophobicContact CD1-CG1 4.41Å; L151-V179 HydrophobicContact CD2-CB 4.08Å; L151-V179 HydrophobicContact CD2-CG1 4.33Å; L151-V179 HydrophobicContact CD2-CG2 3.94Å; L151-V179 HydrophobicContact CG-CG2 4.27Å
152	A	97.8	Very high	97	Very high	28 Å²	28	67 Å²	67	23%	0.231	35%	0.351	C	S	.	.			trans	-150.5	147.9	176.2	0	0	0	0	0	110.2	Q49 Q150 A173	Q49-A152 VanDerWaalsContact OE1-CA 3.27Å; Q150-A152 PolarHBondContact O-N 2.82Å; A152-A173 VanDerWaalsContact O-CB 3.3Å; A152-A173 WeakPolarHBondContact O-CB 3.5Å
153	F	98.3	Very high	96.9	Very high	2 Å²	2	68 Å²	68	1%	0.009	36%	0.357	C	S	.	.	S	Bend	trans	-96.5	-33.1	166.8	-65.2	-88.2	0	0	0	110.9	M45 K48 Q49 L52 F65 F139 F170	M45-F153 HydrophobicContact CB-CB 4.38Å; M45-F153 WeakPolarHBondContact O-CB 3.42Å; M45-F153 VanDerWaalsContact SD-O 3.4Å; K48-F153 HydrophobicContact CB-CB 3.94Å; K48-F153 HydrophobicContact CB-CD1 3.76Å; K48-F153 HydrophobicContact CB-CD2 3.76Å; K48-F153 HydrophobicContact CB-CE1 4.17Å; K48-F153 HydrophobicContact CB-CE2 4.18Å; K48-F153 HydrophobicContact CB-CG 3.53Å; K48-F153 HydrophobicContact CB-CZ 4.37Å; K48-F153 HydrophobicContact CD-CD1 3.78Å; K48-F153 HydrophobicContact CD-CE1 3.87Å; K48-F153 HydrophobicContact CD-CG 4.45Å; K48-F153 HydrophobicContact CG-CD1 4.38Å; Q49-F153 HydrophobicContact CB-CB 4.26Å; L52-F153 HydrophobicContact CB-CD2 4.41Å; L52-F153 HydrophobicContact CB-CE2 4.38Å; L52-F153 HydrophobicContact CD2-CD2 4.02Å; L52-F153 HydrophobicContact CD2-CE2 4.06Å; F65-F153 HydrophobicContact CD2-CZ 4.23Å; F65-F153 HydrophobicContact CE1-CE2 4.04Å; F65-F153 HydrophobicContact CE1-CZ 4.18Å; F65-F153 AromaticContact CE2-CE2 3.77Å; F65-F153 HydrophobicContact CE2-CE2 3.77Å; F65-F153 AromaticContact CE2-CZ 3.76Å; F65-F153 HydrophobicContact CE2-CZ 3.76Å; F65-F153 HydrophobicContact CZ-CD2 4.4Å; F65-F153 AromaticContact CZ-CE2 3.4Å; F65-F153 HydrophobicContact CZ-CE2 3.4Å; F65-F153 VanDerWaalsContact CZ-CE2 3.4Å; F65-F153 AromaticContact CZ-CZ 3.72Å; F65-F153 HydrophobicContact CZ-CZ 3.72Å; F139-F153 HydrophobicContact CE2-CZ 4.28Å; F139-F153 HydrophobicContact CZ-CE1 4.05Å; F139-F153 AromaticContact CZ-CZ 3.8Å; F139-F153 HydrophobicContact CZ-CZ 3.8Å; F153-F170 HydrophobicContact CD1-CB 3.97Å; F153-F170 AromaticContact CD1-CD2 3.65Å; F153-F170 HydrophobicContact CD1-CD2 3.65Å; F153-F170 HydrophobicContact CD1-CE2 4.38Å; F153-F170 AromaticContact CD1-CG 3.91Å; F153-F170 HydrophobicContact CD1-CG 3.91Å; F153-F170 HydrophobicContact CD2-CD2 4.44Å; F153-F170 HydrophobicContact CE1-CB 3.9Å; F153-F170 AromaticContact CE1-CD1 3.96Å; F153-F170 HydrophobicContact CE1-CD1 3.96Å; F153-F170 AromaticContact CE1-CD2 3.3Å; F153-F170 HydrophobicContact CE1-CD2 3.3Å; F153-F170 HydrophobicContact CE1-CE1 4.33Å; F153-F170 AromaticContact CE1-CE2 3.73Å; F153-F170 HydrophobicContact CE1-CE2 3.73Å; F153-F170 AromaticContact CE1-CG 3.43Å; F153-F170 HydrophobicContact CE1-CG 3.43Å; F153-F170 VanDerWaalsContact CE1-CG 3.43Å; F153-F170 HydrophobicContact CE1-CZ 4.22Å; F153-F170 HydrophobicContact CE2-CD2 4.15Å; F153-F170 AromaticContact CE2-CE2 3.92Å; F153-F170 HydrophobicContact CE2-CE2 3.92Å; F153-F170 HydrophobicContact CG-CD2 4.22Å; F153-F170 HydrophobicContact CZ-CD1 4.39Å; F153-F170 AromaticContact CZ-CD2 3.58Å; F153-F170 HydrophobicContact CZ-CD2 3.58Å; F153-F170 HydrophobicContact CZ-CE1 4.3Å; F153-F170 AromaticContact CZ-CE2 3.47Å; F153-F170 HydrophobicContact CZ-CE2 3.47Å; F153-F170 VanDerWaalsContact CZ-CE2 3.47Å; F153-F170 HydrophobicContact CZ-CG 4.05Å; F153-F170 AromaticContact CZ-CZ 3.86Å; F153-F170 HydrophobicContact CZ-CZ 3.86Å
154	Y	98.4	Very high	96.8	Very high	63 Å²	63	69.4 Å²	69.4	25%	0.247	36%	0.362	C	S	.	.	S	Bend	trans	-153.3	146.4	-178.9	-163.9	-95.4	0	0	0	111.6	Q42 M45 E46 Q49 F164	Q42-Y154 VanDerWaalsContact CD-OH 3.31Å; Q42-Y154 HydrophobicContact CG-CD2 4.34Å; Q42-Y154 HydrophobicContact CG-CE2 3.64Å; Q42-Y154 PolarHBondContact NE2-OH 3.44Å; M45-Y154 HydrophobicContact CB-CD2 4.19Å; M45-Y154 HydrophobicContact CE-CD2 4.37Å; E46-Y154 HydrophobicContact CG-CD1 3.67Å; E46-Y154 HydrophobicContact CG-CD2 4.37Å; E46-Y154 HydrophobicContact CG-CE1 3.98Å; E46-Y154 HydrophobicContact CG-CG 3.88Å; Q49-Y154 VanDerWaalsContact CD-O 3.27Å; Q49-Y154 WeakPolarHBondContact CG-O 3.01Å; Q49-Y154 PolarHBondContact OE1-O 2.97Å; Y154-F164 HydrophobicContact CE2-CZ 4.4Å
155	P	98	Very high	96.8	Very high	92 Å²	92	62.6 Å²	62.6	60%	0.597	34%	0.34	S	S	*	.	S	Bend	cis	-60.9	157.4	-15.8	29.4	-35.6	0	0	0	111.1
156	P	97.6	Very high	96.9	Very high	30 Å²	30	61.8 Å²	61.8	20%	0.195	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-55.9	154.7	173.7	-23.3	32.8	0	0	0	111.7	Y160 F164 V169	P156-Y160 HydrophobicContact CB-CD1 4.09Å; P156-Y160 HydrophobicContact CB-CG 4.06Å; P156-F164 HydrophobicContact CG-CD2 4.34Å; P156-F164 HydrophobicContact CG-CE2 3.76Å; P156-V169 HydrophobicContact CB-CG1 4.05Å; P156-V169 HydrophobicContact CG-CG1 4.2Å; P156-V169 HydrophobicContact CG-CG2 4.45Å
157	H	96.9	Very high	96.9	Very high	74 Å²	74	54 Å²	54	34%	0.343	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-51.9	140.9	177.2	-175.7	-88.3	0	0	0	111.1	N159 Y160 Y172	H157-N159 PolarHBondContact ND1-N 3.25Å; H157-N159 VanDerWaalsContact ND1-N 3.14Å; H157-N159 PolarHBondContact O-N 3.45Å; H157-Y160 WeakPolarHBondContact O-CB 3.15Å; H157-Y160 PolarHBondContact O-N 3.08Å; H157-Y172 HydrophobicContact CB-CD1 3.92Å; H157-Y172 HydrophobicContact CB-CE1 3.74Å; H157-Y172 AromaticContact CG-CE1 3.77Å; H157-Y172 AromaticContact ND1-CE1 3.64Å
158	P	96.1	Very high	97	Very high	122 Å²	122	54 Å²	54	79%	0.792	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.8	-175	-28.8	35.6	0	0	0	115.2
159	N	95.8	Very high	97.1	Very high	113 Å²	113	54 Å²	54	60%	0.604	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	13.8	177.8	-59.5	-22.6	0	0	0	113.8	H157 Y172	H157-N159 PolarHBondContact ND1-N 3.25Å; H157-N159 VanDerWaalsContact ND1-N 3.14Å; H157-N159 PolarHBondContact O-N 3.45Å; N159-Y172 PolarHBondContact O-OH 3.29Å
160	Y	97	Very high	97.2	Very high	34 Å²	34	48.8 Å²	48.8	13%	0.133	27%	0.266	C	S	.	.			trans	-71.1	127.6	-177.3	-175.5	-97.8	0	0	0	111.9	P156 H157 W162 P163 I168 V169 Y172	P156-Y160 HydrophobicContact CB-CD1 4.09Å; P156-Y160 HydrophobicContact CB-CG 4.06Å; H157-Y160 WeakPolarHBondContact O-CB 3.15Å; H157-Y160 PolarHBondContact O-N 3.08Å; Y160-W162 HydrophobicContact CD2-CB 4.49Å; Y160-W162 HydrophobicContact CE1-CB 4.21Å; Y160-W162 WeakPolarHBondContact CE1-O 3.19Å; Y160-W162 HydrophobicContact CE2-CB 3.71Å; Y160-W162 HydrophobicContact CE2-CG 4.43Å; Y160-W162 WeakPolarHBondContact OH-CB 3.27Å; Y160-P163 PolarHBondContact OH-O 3.21Å; Y160-I168 WeakPolarHBondContact OH-CG2 3.18Å; Y160-V169 HydrophobicContact CE1-CG2 3.79Å; Y160-V169 HydrophobicContact CE2-CB 4.32Å; Y160-V169 HydrophobicContact CE2-CG2 3.99Å; Y160-V169 VanDerWaalsContact CZ-CG2 3.43Å; Y160-V169 VanDerWaalsContact OH-CG2 3.3Å; Y160-V169 WeakPolarHBondContact OH-CG2 3.33Å; Y160-V169 PolarHBondContact OH-N 3.18Å; Y160-Y172 AromaticContact CD2-CD1 3.77Å; Y160-Y172 HydrophobicContact CD2-CD1 3.77Å; Y160-Y172 AromaticContact CD2-CD2 3.98Å; Y160-Y172 HydrophobicContact CD2-CD2 3.98Å; Y160-Y172 HydrophobicContact CD2-CE1 4.41Å; Y160-Y172 AromaticContact CD2-CG 3.54Å; Y160-Y172 HydrophobicContact CD2-CG 3.54Å; Y160-Y172 HydrophobicContact CE2-CD2 4.36Å; Y160-Y172 AromaticContact CE2-CG 3.95Å; Y160-Y172 HydrophobicContact CE2-CG 3.95Å
161	T	95.7	Very high	97.3	Very high	122 Å²	122	43.2 Å²	43.2	75%	0.748	24%	0.24	S	C	*	.			trans	-134.1	9.5	-177.4	57.1	0	0	0	0	113.5
162	W	96.9	Very high	97.3	Very high	33 Å²	33	44.6 Å²	44.6	13%	0.125	25%	0.245	C	C	.	.	S	Bend	trans	-89.2	172.6	-179.1	-70.1	-1.7	0	0	0	111.7	I106 P108 Y160 F164 I168 Y172	I106-W162 HydrophobicContact CD1-CZ3 4.32Å; I106-W162 HydrophobicContact CG2-CH2 3.79Å; I106-W162 HydrophobicContact CG2-CZ2 4.25Å; I106-W162 HydrophobicContact CG2-CZ3 4.05Å; P108-W162 PolarHBondContact O-NE1 3.46Å; Y160-W162 HydrophobicContact CD2-CB 4.49Å; Y160-W162 HydrophobicContact CE1-CB 4.21Å; Y160-W162 WeakPolarHBondContact CE1-O 3.19Å; Y160-W162 HydrophobicContact CE2-CB 3.71Å; Y160-W162 HydrophobicContact CE2-CG 4.43Å; Y160-W162 WeakPolarHBondContact OH-CB 3.27Å; W162-F164 PolarHBondContact O-N 3.37Å; W162-I168 HydrophobicContact CB-CG2 3.81Å; W162-I168 HydrophobicContact CD2-CG2 4.36Å; W162-I168 HydrophobicContact CE3-CG2 3.68Å; W162-I168 HydrophobicContact CG-CG2 4.48Å; W162-Y172 AromaticContact CD2-CD2 3.82Å; W162-Y172 HydrophobicContact CD2-CD2 3.82Å; W162-Y172 AromaticContact CE2-CD2 3.95Å; W162-Y172 AromaticContact CE3-CD2 3.87Å; W162-Y172 HydrophobicContact CE3-CD2 3.87Å; W162-Y172 HydrophobicContact CE3-CG 4.36Å; W162-Y172 HydrophobicContact CG-CD2 4.42Å; W162-Y172 HydrophobicContact CH2-CD2 4.17Å; W162-Y172 HydrophobicContact CZ2-CD2 4.13Å; W162-Y172 HydrophobicContact CZ3-CD2 4.05Å; W162-Y172 HydrophobicContact CZ3-CG 4.49Å
163	P	97.1	Very high	97.3	Very high	31 Å²	31	43.7 Å²	43.7	20%	0.201	24%	0.238	C	C	.	.			trans	-59.4	131.7	178.2	-24.8	33.4	0	0	0	112.3	Q109 Y111 Y160 D165 I168	Q109-P163 WeakPolarHBondContact O-CD 3.29Å; Y111-P163 HydrophobicContact CD1-CG 4.22Å; Y111-P163 HydrophobicContact CD2-CG 4.32Å; Y111-P163 HydrophobicContact CE1-CB 4.32Å; Y111-P163 HydrophobicContact CE1-CG 3.55Å; Y111-P163 HydrophobicContact CE2-CG 3.66Å; Y111-P163 WeakPolarHBondContact OH-CG 3.04Å; Y160-P163 PolarHBondContact OH-O 3.21Å; P163-D165 VanDerWaalsContact C-N 3.31Å; P163-D165 PolarHBondContact O-N 3.34Å; P163-I168 HydrophobicContact CB-CD1 4.11Å; P163-I168 HydrophobicContact CG-CD1 4.34Å
164	F	96.6	Very high	97.3	Very high	57 Å²	57	43.6 Å²	43.6	25%	0.25	24%	0.238	C	C	.	.	S	Bend	trans	-71.8	84.4	-177.6	-165.4	-89.2	0	0	0	111.6	K38 H41 Q42 M45 Y154 P156 W162	K38-F164 HydrophobicContact CB-CD1 4.5Å; K38-F164 HydrophobicContact CD-CD1 4.45Å; K38-F164 HydrophobicContact CG-CD1 3.48Å; K38-F164 VanDerWaalsContact CG-CD1 3.48Å; K38-F164 HydrophobicContact CG-CE1 3.75Å; K38-F164 HydrophobicContact CG-CG 4.17Å; K38-F164 WeakPolarHBondContact O-CE1 3.44Å; H41-F164 HydrophobicContact CB-CD1 4.27Å; H41-F164 HydrophobicContact CB-CE1 4.32Å; Q42-F164 HydrophobicContact CB-CE1 3.85Å; Q42-F164 HydrophobicContact CB-CZ 3.98Å; M45-F164 HydrophobicContact CE-CD1 4Å; M45-F164 HydrophobicContact CE-CD2 4.45Å; M45-F164 HydrophobicContact CE-CE1 3.32Å; M45-F164 HydrophobicContact CE-CE2 3.85Å; M45-F164 HydrophobicContact CE-CZ 3.25Å; Y154-F164 HydrophobicContact CE2-CZ 4.4Å; P156-F164 HydrophobicContact CG-CD2 4.34Å; P156-F164 HydrophobicContact CG-CE2 3.76Å; W162-F164 PolarHBondContact O-N 3.37Å
165	D	96.5	Very high	97.3	Very high	41 Å²	41	46.4 Å²	46.4	22%	0.219	25%	0.253	C	S	.	.			trans	-137.5	137	179.7	175.8	-55.5	0	0	0	107.2	H41 P163 I167 I168 V169	H41-D165 IonicContact CE1-OD1 3.44Å; H41-D165 IonicContact CE1-OD2 2.71Å; H41-D165 PolarHBondContact CE1-OD2 3.44Å; H41-D165 IonicContact NE2-OD2 3.46Å; P163-D165 VanDerWaalsContact C-N 3.31Å; P163-D165 PolarHBondContact O-N 3.34Å; D165-I167 VanDerWaalsContact C-N 3.27Å; D165-I167 PolarHBondContact O-N 3.39Å; D165-I167 VanDerWaalsContact OD1-CG1 3.29Å; D165-I167 WeakPolarHBondContact OD1-CG1 3.41Å; D165-I167 PolarHBondContact OD1-N 3.13Å; D165-I168 HydrophobicContact CB-CB 4.18Å; D165-I168 HydrophobicContact CB-CD1 3.93Å; D165-I168 HydrophobicContact CB-CG1 4.01Å; D165-I168 PolarHBondContact O-N 2.81Å; D165-I168 VanDerWaalsContact O-N 3.14Å; D165-V169 WeakPolarHBondContact O-CB 3.18Å; D165-V169 VanDerWaalsContact O-CG2 3.26Å; D165-V169 WeakPolarHBondContact O-CG2 3.41Å; D165-V169 PolarHBondContact O-N 2.71Å
166	D	96.5	Very high	97.3	Very high	11 Å²	11	44.2 Å²	44.2	6%	0.059	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-33.1	-171.7	66.4	-69.4	0	0	0	113.5	H41 L44 M45 K48 F170	H41-D166 IonicContact CE1-OD1 2.81Å; H41-D166 PolarHBondContact ND1-N 3.43Å; H41-D166 IonicContact ND1-OD1 3.9Å; H41-D166 PolarHBondContact ND1-OD1 2.95Å; L44-D166 HydrophobicContact CD2-CB 4.46Å; L44-D166 WeakPolarHBondContact CD2-OD2 3.29Å; M45-D166 HydrophobicContact CG-CB 3.44Å; M45-D166 VanDerWaalsContact CG-CB 3.44Å; M45-D166 HydrophobicContact SD-CB 4.15Å; K48-D166 IonicContact NZ-OD2 3.73Å; K48-D166 PolarHBondContact NZ-OD2 2.92Å; D166-F170 WeakPolarHBondContact O-CB 3.44Å; D166-F170 PolarHBondContact O-N 2.96Å; D166-F170 VanDerWaalsContact O-N 3.12Å
167	I	97.1	Very high	97.3	Very high	26 Å²	26	43.5 Å²	43.5	13%	0.133	24%	0.239	C	C	.	.	H	α-helix	trans	-76.6	-34.5	179.5	86	-169.4	0	0	0	110.9	W103 M134 H136 D165 A171	W103-I167 HydrophobicContact CH2-CD1 4.4Å; W103-I167 HydrophobicContact CZ2-CD1 3.93Å; M134-I167 HydrophobicContact CE-CD1 3.66Å; M134-I167 HydrophobicContact CE-CG1 3.96Å; M134-I167 HydrophobicContact SD-CB 4.2Å; M134-I167 HydrophobicContact SD-CD1 4.34Å; M134-I167 HydrophobicContact SD-CG1 4.24Å; H136-I167 HydrophobicContact CB-CB 3.87Å; H136-I167 HydrophobicContact CB-CG2 3.52Å; D165-I167 VanDerWaalsContact C-N 3.27Å; D165-I167 PolarHBondContact O-N 3.39Å; D165-I167 VanDerWaalsContact OD1-CG1 3.29Å; D165-I167 WeakPolarHBondContact OD1-CG1 3.41Å; D165-I167 PolarHBondContact OD1-N 3.13Å; I167-A171 WeakPolarHBondContact O-CB 3.48Å; I167-A171 PolarHBondContact O-N 3.35Å
168	I	98	Very high	97.3	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.041	25%	0.253	C	S	.	.	H	α-helix	trans	-75.8	-41.3	179.4	-59	180	0	0	0	110.2	W103 Y160 W162 P163 D165 A171 Y172	W103-I168 HydrophobicContact CH2-CD1 4.15Å; W103-I168 HydrophobicContact CH2-CG1 4.06Å; W103-I168 HydrophobicContact CZ3-CG1 4.33Å; Y160-I168 WeakPolarHBondContact OH-CG2 3.18Å; W162-I168 HydrophobicContact CB-CG2 3.81Å; W162-I168 HydrophobicContact CD2-CG2 4.36Å; W162-I168 HydrophobicContact CE3-CG2 3.68Å; W162-I168 HydrophobicContact CG-CG2 4.48Å; P163-I168 HydrophobicContact CB-CD1 4.11Å; P163-I168 HydrophobicContact CG-CD1 4.34Å; D165-I168 HydrophobicContact CB-CB 4.18Å; D165-I168 HydrophobicContact CB-CD1 3.93Å; D165-I168 HydrophobicContact CB-CG1 4.01Å; D165-I168 PolarHBondContact O-N 2.81Å; D165-I168 VanDerWaalsContact O-N 3.14Å; I168-A171 PolarHBondContact O-N 2.87Å; I168-Y172 PolarHBondContact O-N 3.32Å
169	V	98.3	Very high	97.4	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-58.9	-49	174.1	171.3	0	0	0	0	110.2	M45 P156 Y160 D165 Y172 A173	M45-V169 HydrophobicContact CE-CG2 4.37Å; M45-V169 HydrophobicContact SD-CB 3.69Å; M45-V169 HydrophobicContact SD-CG1 3.72Å; M45-V169 HydrophobicContact SD-CG2 3.74Å; P156-V169 HydrophobicContact CB-CG1 4.05Å; P156-V169 HydrophobicContact CG-CG1 4.2Å; P156-V169 HydrophobicContact CG-CG2 4.45Å; Y160-V169 HydrophobicContact CE1-CG2 3.79Å; Y160-V169 HydrophobicContact CE2-CB 4.32Å; Y160-V169 HydrophobicContact CE2-CG2 3.99Å; Y160-V169 VanDerWaalsContact CZ-CG2 3.43Å; Y160-V169 VanDerWaalsContact OH-CG2 3.3Å; Y160-V169 WeakPolarHBondContact OH-CG2 3.33Å; Y160-V169 PolarHBondContact OH-N 3.18Å; D165-V169 WeakPolarHBondContact O-CB 3.18Å; D165-V169 VanDerWaalsContact O-CG2 3.26Å; D165-V169 WeakPolarHBondContact O-CG2 3.41Å; D165-V169 PolarHBondContact O-N 2.71Å; V169-Y172 PolarHBondContact O-N 2.74Å; V169-A173 PolarHBondContact O-N 3.09Å
170	F	98.3	Very high	97.5	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.035	20%	0.199	C	C	.	.	H	α-helix	trans	-66.5	-39.1	179.6	-174.6	-116.7	0	0	0	112.7	V88 F139 F153 D166 Y172 A173 C174	V88-F170 HydrophobicContact CG1-CE1 4.48Å; F139-F170 HydrophobicContact CD2-CE1 4.27Å; F139-F170 HydrophobicContact CE1-CE1 4.43Å; F139-F170 HydrophobicContact CE2-CD1 4.36Å; F139-F170 AromaticContact CE2-CE1 3.46Å; F139-F170 HydrophobicContact CE2-CE1 3.46Å; F139-F170 VanDerWaalsContact CE2-CE1 3.46Å; F139-F170 AromaticContact CE2-CZ 3.74Å; F139-F170 HydrophobicContact CE2-CZ 3.74Å; F139-F170 HydrophobicContact CZ-CD1 4.01Å; F139-F170 AromaticContact CZ-CE1 3.56Å; F139-F170 HydrophobicContact CZ-CE1 3.56Å; F139-F170 HydrophobicContact CZ-CZ 4.08Å; F153-F170 HydrophobicContact CD1-CB 3.97Å; F153-F170 AromaticContact CD1-CD2 3.65Å; F153-F170 HydrophobicContact CD1-CD2 3.65Å; F153-F170 HydrophobicContact CD1-CE2 4.38Å; F153-F170 AromaticContact CD1-CG 3.91Å; F153-F170 HydrophobicContact CD1-CG 3.91Å; F153-F170 HydrophobicContact CD2-CD2 4.44Å; F153-F170 HydrophobicContact CE1-CB 3.9Å; F153-F170 AromaticContact CE1-CD1 3.96Å; F153-F170 HydrophobicContact CE1-CD1 3.96Å; F153-F170 AromaticContact CE1-CD2 3.3Å; F153-F170 HydrophobicContact CE1-CD2 3.3Å; F153-F170 HydrophobicContact CE1-CE1 4.33Å; F153-F170 AromaticContact CE1-CE2 3.73Å; F153-F170 HydrophobicContact CE1-CE2 3.73Å; F153-F170 AromaticContact CE1-CG 3.43Å; F153-F170 HydrophobicContact CE1-CG 3.43Å; F153-F170 VanDerWaalsContact CE1-CG 3.43Å; F153-F170 HydrophobicContact CE1-CZ 4.22Å; F153-F170 HydrophobicContact CE2-CD2 4.15Å; F153-F170 AromaticContact CE2-CE2 3.92Å; F153-F170 HydrophobicContact CE2-CE2 3.92Å; F153-F170 HydrophobicContact CG-CD2 4.22Å; F153-F170 HydrophobicContact CZ-CD1 4.39Å; F153-F170 AromaticContact CZ-CD2 3.58Å; F153-F170 HydrophobicContact CZ-CD2 3.58Å; F153-F170 HydrophobicContact CZ-CE1 4.3Å; F153-F170 AromaticContact CZ-CE2 3.47Å; F153-F170 HydrophobicContact CZ-CE2 3.47Å; F153-F170 VanDerWaalsContact CZ-CE2 3.47Å; F153-F170 HydrophobicContact CZ-CG 4.05Å; F153-F170 AromaticContact CZ-CZ 3.86Å; F153-F170 HydrophobicContact CZ-CZ 3.86Å; D166-F170 WeakPolarHBondContact O-CB 3.44Å; D166-F170 PolarHBondContact O-N 2.96Å; D166-F170 VanDerWaalsContact O-N 3.12Å; F170-Y172 VanDerWaalsContact C-N 3.3Å; F170-Y172 PolarHBondContact O-N 2.84Å; F170-A173 WeakPolarHBondContact O-CB 3.26Å; F170-A173 PolarHBondContact O-N 3.08Å; F170-A173 VanDerWaalsContact O-N 3.15Å; F170-C174 PolarHBondContact O-N 3.28Å; F170-C174 PolarHBondContact O-SG 2.89Å
171	A	98.3	Very high	97.6	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.033	19%	0.194	C	C	.	.	H	α-helix	trans	-58.1	-43.2	173.9	0	0	0	0	0	112.1	I106 M134 I167 I168 C174 Q175	I106-A171 HydrophobicContact CD1-CB 4.1Å; M134-A171 HydrophobicContact CB-CB 3.79Å; M134-A171 HydrophobicContact CG-CB 3.71Å; I167-A171 WeakPolarHBondContact O-CB 3.48Å; I167-A171 PolarHBondContact O-N 3.35Å; I168-A171 PolarHBondContact O-N 2.87Å; A171-C174 PolarHBondContact O-N 3.08Å; A171-Q175 PolarHBondContact O-N 2.81Å
172	Y	98.3	Very high	97.8	Very high	34 Å²	34	27.4 Å²	27.4	13%	0.133	16%	0.163	C	C	.	.	H	α-helix	trans	-64.7	-42.5	174.6	-174.1	-78.6	0	0	0	111.6	H157 N159 Y160 W162 I168 V169 F170 C174 Q175 A176	H157-Y172 HydrophobicContact CB-CD1 3.92Å; H157-Y172 HydrophobicContact CB-CE1 3.74Å; H157-Y172 AromaticContact CG-CE1 3.77Å; H157-Y172 AromaticContact ND1-CE1 3.64Å; N159-Y172 PolarHBondContact O-OH 3.29Å; Y160-Y172 AromaticContact CD2-CD1 3.77Å; Y160-Y172 HydrophobicContact CD2-CD1 3.77Å; Y160-Y172 AromaticContact CD2-CD2 3.98Å; Y160-Y172 HydrophobicContact CD2-CD2 3.98Å; Y160-Y172 HydrophobicContact CD2-CE1 4.41Å; Y160-Y172 AromaticContact CD2-CG 3.54Å; Y160-Y172 HydrophobicContact CD2-CG 3.54Å; Y160-Y172 HydrophobicContact CE2-CD2 4.36Å; Y160-Y172 AromaticContact CE2-CG 3.95Å; Y160-Y172 HydrophobicContact CE2-CG 3.95Å; W162-Y172 AromaticContact CD2-CD2 3.82Å; W162-Y172 HydrophobicContact CD2-CD2 3.82Å; W162-Y172 AromaticContact CE2-CD2 3.95Å; W162-Y172 AromaticContact CE3-CD2 3.87Å; W162-Y172 HydrophobicContact CE3-CD2 3.87Å; W162-Y172 HydrophobicContact CE3-CG 4.36Å; W162-Y172 HydrophobicContact CG-CD2 4.42Å; W162-Y172 HydrophobicContact CH2-CD2 4.17Å; W162-Y172 HydrophobicContact CZ2-CD2 4.13Å; W162-Y172 HydrophobicContact CZ3-CD2 4.05Å; W162-Y172 HydrophobicContact CZ3-CG 4.49Å; I168-Y172 PolarHBondContact O-N 3.32Å; V169-Y172 PolarHBondContact O-N 2.74Å; F170-Y172 VanDerWaalsContact C-N 3.3Å; F170-Y172 PolarHBondContact O-N 2.84Å; Y172-C174 VanDerWaalsContact C-N 3.33Å; Y172-C174 PolarHBondContact O-N 2.85Å; Y172-Q175 WeakPolarHBondContact O-CB 3.42Å; Y172-Q175 PolarHBondContact O-N 3.2Å; Y172-Q175 VanDerWaalsContact O-N 3.13Å; Y172-A176 HydrophobicContact CD1-CB 4.19Å; Y172-A176 HydrophobicContact CE1-CB 3.93Å; Y172-A176 WeakPolarHBondContact O-CB 3.27Å; Y172-A176 PolarHBondContact O-N 3.43Å
173	A	98.2	Very high	97.9	Very high	9 Å²	9	25.9 Å²	25.9	7%	0.074	16%	0.157	C	C	.	.	H	α-helix	trans	-58.7	-44.8	178.1	0	0	0	0	0	111.6	A152 V169 F170 Q175 A176 A177	A152-A173 VanDerWaalsContact O-CB 3.3Å; A152-A173 WeakPolarHBondContact O-CB 3.5Å; V169-A173 PolarHBondContact O-N 3.09Å; F170-A173 WeakPolarHBondContact O-CB 3.26Å; F170-A173 PolarHBondContact O-N 3.08Å; F170-A173 VanDerWaalsContact O-N 3.15Å; A173-Q175 PolarHBondContact O-N 3.37Å; A173-A176 PolarHBondContact O-N 3.42Å; A173-A177 VanDerWaalsContact O-CB 3.32Å; A173-A177 WeakPolarHBondContact O-CB 3.12Å; A173-A177 PolarHBondContact O-N 3.35Å
174	C	98.3	Very high	97.9	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-46.4	172.6	-70	0	0	0	0	111.9	L151 F170 A171 Y172 A177 G178 V179 V181	L151-C174 HydrophobicContact CD2-CB 4.34Å; F170-C174 PolarHBondContact O-N 3.28Å; F170-C174 PolarHBondContact O-SG 2.89Å; A171-C174 PolarHBondContact O-N 3.08Å; Y172-C174 VanDerWaalsContact C-N 3.33Å; Y172-C174 PolarHBondContact O-N 2.85Å; C174-A177 PolarHBondContact O-N 3Å; C174-G178 PolarHBondContact O-N 3.19Å; C174-V179 HydrophobicContact CB-CB 4.45Å; C174-V179 PolarHBondContact O-N 3.29Å; C174-V181 HydrophobicContact CB-CG2 3.62Å
175	Q	97.6	Very high	98	Very high	122 Å²	122	21.7 Å²	21.7	57%	0.57	14%	0.136	S	C	*	.	H	α-helix	trans	-61.1	-46.3	178.5	-175.1	-174.3	-58.9	0	0	112	A171 Y172 A173 A177 G178	A171-Q175 PolarHBondContact O-N 2.81Å; Y172-Q175 WeakPolarHBondContact O-CB 3.42Å; Y172-Q175 PolarHBondContact O-N 3.2Å; Y172-Q175 VanDerWaalsContact O-N 3.13Å; A173-Q175 PolarHBondContact O-N 3.37Å; Q175-A177 VanDerWaalsContact C-N 3.32Å; Q175-A177 PolarHBondContact O-N 3.43Å; Q175-G178 PolarHBondContact O-N 3.19Å; Q175-G178 VanDerWaalsContact O-N 3.17Å
176	A	97.6	Very high	98.1	Very high	46 Å²	46	22.1 Å²	22.1	38%	0.38	14%	0.137	S	C	.	.	H	α-helix	trans	-65.2	-36.5	-179	0	0	0	0	0	112	Y172 A173 G178	Y172-A176 HydrophobicContact CD1-CB 4.19Å; Y172-A176 HydrophobicContact CE1-CB 3.93Å; Y172-A176 WeakPolarHBondContact O-CB 3.27Å; Y172-A176 PolarHBondContact O-N 3.43Å; A173-A176 PolarHBondContact O-N 3.42Å; A176-G178 VanDerWaalsContact C-N 3.25Å; A176-G178 PolarHBondContact O-N 3.13Å
177	A	97.8	Very high	98.1	Very high	14 Å²	14	25.3 Å²	25.3	12%	0.116	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-2.6	176.4	0	0	0	0	0	113.9	Q150 L151 A173 C174 Q175 V179	Q150-A177 HydrophobicContact CB-CB 3.84Å; L151-A177 HydrophobicContact CD2-CB 4.25Å; A173-A177 VanDerWaalsContact O-CB 3.32Å; A173-A177 WeakPolarHBondContact O-CB 3.12Å; A173-A177 PolarHBondContact O-N 3.35Å; C174-A177 PolarHBondContact O-N 3Å; Q175-A177 VanDerWaalsContact C-N 3.32Å; Q175-A177 PolarHBondContact O-N 3.43Å; A177-V179 HydrophobicContact CB-CG2 3.82Å; A177-V179 PolarHBondContact O-N 3.49Å
178	G	97.8	Very high	98.1	Very high	62 Å²	62	30.7 Å²	30.7	64%	0.639	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.8	13.2	-174.5	0	0	0	0	0	114	C174 Q175 A176	C174-G178 PolarHBondContact O-N 3.19Å; Q175-G178 PolarHBondContact O-N 3.19Å; Q175-G178 VanDerWaalsContact O-N 3.17Å; A176-G178 VanDerWaalsContact C-N 3.25Å; A176-G178 PolarHBondContact O-N 3.13Å
179	V	98.4	Very high	98.1	Very high	9 Å²	9	30.3 Å²	30.3	6%	0.055	17%	0.168	C	C	.	.			trans	-81.4	127.3	-176.6	175.5	0	0	0	0	110.3	P87 V88 L151 C174 A177	P87-V179 HydrophobicContact CB-CG1 3.82Å; P87-V179 HydrophobicContact CG-CG1 4.22Å; V88-V179 HydrophobicContact CG2-CG1 3.82Å; L151-V179 HydrophobicContact CD1-CG1 4.41Å; L151-V179 HydrophobicContact CD2-CB 4.08Å; L151-V179 HydrophobicContact CD2-CG1 4.33Å; L151-V179 HydrophobicContact CD2-CG2 3.94Å; L151-V179 HydrophobicContact CG-CG2 4.27Å; C174-V179 HydrophobicContact CB-CB 4.45Å; C174-V179 PolarHBondContact O-N 3.29Å; A177-V179 HydrophobicContact CB-CG2 3.82Å; A177-V179 PolarHBondContact O-N 3.49Å
180	S	98.3	Very high	97.9	Very high	29 Å²	29	30.2 Å²	30.2	20%	0.203	17%	0.167	C	C	.	.			trans	-83.1	134.7	-180	51.7	0	0	0	0	112.1	P87 V88 H182	P87-S180 WeakPolarHBondContact CG-O 3.27Å; P87-S180 VanDerWaalsContact CG-OG 3.29Å; P87-S180 WeakPolarHBondContact CG-OG 3.06Å; V88-S180 PolarHBondContact N-O 3.42Å; S180-H182 VanDerWaalsContact CB-CE1 3.46Å; S180-H182 WeakPolarHBondContact CB-CE1 3.43Å; S180-H182 PolarHBondContact OG-CE1 3.22Å; S180-H182 VanDerWaalsContact OG-CE1 3.26Å
181	V	98.7	Very high	97.8	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.3	-178.2	179.6	0	0	0	0	109.2	V88 R131 V132 V135 C174	V88-V181 HydrophobicContact CB-CG2 4.16Å; V88-V181 HydrophobicContact CG1-CG1 4.04Å; V88-V181 HydrophobicContact CG1-CG2 4.26Å; R131-V181 CarbonylContact C-O 3.57Å; R131-V181 WeakPolarHBondContact CA-O 3.28Å; V132-V181 HydrophobicContact CG2-CG1 4.26Å; V132-V181 PolarHBondContact N-O 2.74Å; V132-V181 WeakPolarHBondContact O-CB 3.19Å; V135-V181 HydrophobicContact CB-CG1 4.1Å; V135-V181 HydrophobicContact CG1-CG1 3.72Å; V135-V181 HydrophobicContact CG2-CG1 3.55Å; C174-V181 HydrophobicContact CB-CG2 3.62Å
182	H	98.8	Very high	97.6	Very high	21 Å²	21	32 Å²	32	10%	0.097	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.6	-173.6	-56.8	84.2	0	0	0	112.9	L86 V88 V89 A90 F130 S180	L86-H182 HydrophobicContact CD1-CB 3.81Å; V88-H182 PolarHBondContact O-N 3.49Å; V88-H182 PolarHBondContact O-ND1 3.44Å; V89-H182 CarbonylContact C-O 3.48Å; V89-H182 WeakPolarHBondContact CA-O 3.48Å; V89-H182 HydrophobicContact CG2-CB 4.38Å; A90-H182 PolarHBondContact N-O 3.13Å; F130-H182 CarbonylContact O-C 3.6Å; F130-H182 VanDerWaalsContact O-CA 3.22Å; F130-H182 WeakPolarHBondContact O-CA 3.15Å; S180-H182 VanDerWaalsContact CB-CE1 3.46Å; S180-H182 WeakPolarHBondContact CB-CE1 3.43Å; S180-H182 PolarHBondContact OG-CE1 3.22Å; S180-H182 VanDerWaalsContact OG-CE1 3.26Å
183	V	98.8	Very high	97.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.5	167.9	65.4	0	0	0	0	109.3	A90 M92 F102 T121 C129 F130 V132 V135	A90-V183 WeakPolarHBondContact O-CA 3.08Å; M92-V183 HydrophobicContact CB-CG2 3.73Å; M92-V183 HydrophobicContact CG-CG2 4.04Å; F102-V183 HydrophobicContact CB-CB 4.12Å; F102-V183 HydrophobicContact CB-CG1 4.35Å; F102-V183 HydrophobicContact CB-CG2 4.16Å; F102-V183 HydrophobicContact CD1-CG2 3.89Å; F102-V183 HydrophobicContact CD2-CG1 3.89Å; F102-V183 HydrophobicContact CE1-CG2 4.49Å; F102-V183 HydrophobicContact CE2-CG1 4.31Å; F102-V183 HydrophobicContact CG-CB 4.16Å; F102-V183 HydrophobicContact CG-CG1 4Å; F102-V183 HydrophobicContact CG-CG2 4Å; T121-V183 HydrophobicContact CG2-CG1 4.29Å; C129-V183 CarbonylContact C-O 3.53Å; C129-V183 WeakPolarHBondContact CA-O 3.37Å; F130-V183 PolarHBondContact N-O 2.7Å; F130-V183 PolarHBondContact O-N 3Å; V132-V183 HydrophobicContact CG1-CG1 3.68Å; V132-V183 HydrophobicContact CG2-CB 4.19Å; V132-V183 HydrophobicContact CG2-CG1 4.12Å; V135-V183 HydrophobicContact CG1-CB 4.36Å
184	C	98.7	Very high	96.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.9	179.3	-60.7	0	0	0	0	110.3	V89 A90 M92 C129 E186 Y189	V89-C184 HydrophobicContact CG2-CB 4.47Å; V89-C184 WeakPolarHBondContact CG2-SG 3.08Å; A90-C184 PolarHBondContact O-N 2.86Å; M92-C184 WeakPolarHBondContact CB-O 3.47Å; M92-C184 PolarHBondContact N-O 3.36Å; C129-C184 HydrophobicContact CB-CB 4.18Å; C129-C184 WeakPolarHBondContact CB-SG 3.42Å; C129-C184 WeakPolarHBondContact SG-CB 3.33Å; C129-C184 CovalentContact SG-SG 2.03Å; C129-C184 PolarHBondContact SG-SG 3.13Å; C184-E186 WeakPolarHBondContact CB-OE2 3.35Å; C184-Y189 HydrophobicContact CB-CE2 4.44Å; C184-Y189 VanDerWaalsContact O-CE2 3.23Å; C184-Y189 WeakPolarHBondContact O-CE2 3.5Å
185	N	98.4	Very high	96	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.			trans	-128.4	12.2	-176.7	75	-5.9	0	0	0	113.9	M92 T121 R124 R126 R127 G128 H187	M92-N185 HydrophobicContact CB-CB 3.85Å; M92-N185 HydrophobicContact CE-CB 3.52Å; M92-N185 HydrophobicContact CG-CB 4.42Å; M92-N185 HydrophobicContact SD-CB 3.73Å; T121-N185 PolarHBondContact O-ND2 3.39Å; R124-N185 WeakPolarHBondContact CD-O 3.46Å; R124-N185 HydrophobicContact CG-CB 4.13Å; R124-N185 PolarHBondContact NE-O 2.63Å; R124-N185 VanDerWaalsContact NE-O 3.09Å; R126-N185 PolarHBondContact O-ND2 3.12Å; R127-N185 VanDerWaalsContact CA-OD1 3.23Å; R127-N185 WeakPolarHBondContact CA-OD1 3.38Å; G128-N185 PolarHBondContact N-OD1 3Å; G128-N185 PolarHBondContact O-N 2.75Å; G128-N185 VanDerWaalsContact O-N 3.11Å; G128-N185 PolarHBondContact O-OD1 3.37Å; N185-H187 PolarHBondContact O-N 3.27Å
186	E	97.6	Very high	95.5	Very high	50 Å²	50	29.9 Å²	29.9	23%	0.234	17%	0.173	C	C	.	.	S	Bend	trans	-58.8	-37.9	179.2	-66.1	92.5	156.4	0	0	111.6	R127 G128 C129 C184	R127-E186 PolarHBondContact NH2-O 2.9Å; G128-E186 WeakPolarHBondContact CA-OE1 3.44Å; C129-E186 PolarHBondContact N-OE1 3.28Å; C129-E186 PolarHBondContact SG-OE1 3.5Å; C184-E186 WeakPolarHBondContact CB-OE2 3.35Å
187	H	97.6	Very high	95	Very high	78 Å²	78	34.2 Å²	34.2	36%	0.361	18%	0.183	S	C	.	.	S	Bend	trans	-108.9	162.2	179.6	-57.3	-84.2	0	0	0	112	L80 R124 N185 Y189	L80-H187 HydrophobicContact CD1-CB 4.28Å; R124-H187 PolarHBondContact NH2-O 3.46Å; N185-H187 PolarHBondContact O-N 3.27Å; H187-Y189 HydrophobicContact CB-CD1 4.4Å; H187-Y189 HydrophobicContact CB-CD2 4.36Å; H187-Y189 HydrophobicContact CB-CE1 4.03Å; H187-Y189 HydrophobicContact CB-CE2 3.96Å; H187-Y189 VanDerWaalsContact O-CD2 3.29Å; H187-Y189 WeakPolarHBondContact O-CD2 3.3Å
188	R	96.2	Very high	94.3	Very high	139 Å²	139	35.5 Å²	35.5	53%	0.525	19%	0.191	S	C	.	.			trans	-81.5	113	159.7	-61.3	-65.9	178	-171.8	-2.3	106.1	N74 D94	N74-R188 VanDerWaalsContact CB-O 3.27Å; N74-R188 WeakPolarHBondContact CB-O 3.42Å; N74-R188 PolarHBondContact ND2-O 2.58Å; D94-R188 IonicContact OD1-NH1 3.26Å; D94-R188 PolarHBondContact OD1-NH1 3.29Å; D94-R188 VanDerWaalsContact OD2-CD 3.29Å; D94-R188 WeakPolarHBondContact OD2-CD 3.28Å; D94-R188 IonicContact OD2-CZ 2.75Å; D94-R188 IonicContact OD2-NE 3.83Å; D94-R188 IonicContact OD2-NH1 2.63Å; D94-R188 PolarHBondContact OD2-NH1 3.45Å
189	Y	97.3	Very high	93.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.			trans	-97.8	-33.1	-176.1	-67.8	-79.2	0	0	0	112.3	T73 N74 T77 L80 P91 C184 H187	T73-Y189 PolarHBondContact N-O 2.89Å; T73-Y189 VanDerWaalsContact N-O 3.13Å; N74-Y189 PolarHBondContact N-O 3.04Å; N74-Y189 VanDerWaalsContact N-O 3.13Å; T77-Y189 HydrophobicContact CG2-CD1 3.97Å; L80-Y189 HydrophobicContact CB-CE1 4.05Å; L80-Y189 HydrophobicContact CD1-CE1 3.83Å; P91-Y189 VanDerWaalsContact CB-CB 3.48Å; P91-Y189 HydrophobicContact CB-CD1 3.68Å; P91-Y189 HydrophobicContact CB-CD2 3.7Å; P91-Y189 HydrophobicContact CB-CE1 4.28Å; P91-Y189 HydrophobicContact CB-CE2 4.31Å; P91-Y189 HydrophobicContact CB-CG 3.34Å; C184-Y189 HydrophobicContact CB-CE2 4.44Å; C184-Y189 VanDerWaalsContact O-CE2 3.23Å; C184-Y189 WeakPolarHBondContact O-CE2 3.5Å; H187-Y189 HydrophobicContact CB-CD1 4.4Å; H187-Y189 HydrophobicContact CB-CD2 4.36Å; H187-Y189 HydrophobicContact CB-CE1 4.03Å; H187-Y189 HydrophobicContact CB-CE2 3.96Å; H187-Y189 VanDerWaalsContact O-CD2 3.29Å; H187-Y189 WeakPolarHBondContact O-CD2 3.3Å
190	G	95.8	Very high	92.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.8	-164.1	-174.2	0	0	0	0	0	111.9	I71 D94	I71-G190 CarbonylContact O-C 3.48Å; I71-G190 WeakPolarHBondContact O-CA 3.37Å; D94-G190 PolarHBondContact N-O 3.44Å
191	Y	95	Very high	92.3	Very high	49 Å²	49	40.4 Å²	40.4	19%	0.192	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	152.7	-172.4	-58.7	-97	0	0	0	110.4	I71 T73 D94 L212 A216	I71-Y191 PolarHBondContact N-O 2.9Å; I71-Y191 PolarHBondContact O-N 3.18Å; T73-Y191 HydrophobicContact CG2-CD2 3.9Å; T73-Y191 HydrophobicContact CG2-CE2 3.9Å; D94-Y191 HydrophobicContact CB-CD1 4.03Å; D94-Y191 HydrophobicContact CB-CE1 4.23Å; D94-Y191 CarbonylContact O-C 3.45Å; D94-Y191 WeakPolarHBondContact O-CA 3.28Å; Y191-L212 HydrophobicContact CD1-CD1 4.37Å; Y191-A216 HydrophobicContact CD1-CB 4.3Å; Y191-A216 HydrophobicContact CD2-CB 3.59Å; Y191-A216 HydrophobicContact CE1-CB 4.17Å; Y191-A216 HydrophobicContact CE2-CB 3.48Å; Y191-A216 VanDerWaalsContact CE2-CB 3.48Å; Y191-A216 HydrophobicContact CG-CB 4.03Å
192	M	93.5	Very high	91.7	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.4	172.1	66.5	179.8	-53.4	0	0	110.2	N70 L93 D94 Y99 N101	N70-M192 WeakPolarHBondContact OD1-CB 3.3Å; L93-M192 HydrophobicContact CB-CB 3.89Å; L93-M192 HydrophobicContact CB-CG 3.94Å; L93-M192 HydrophobicContact CB-SD 4.19Å; L93-M192 HydrophobicContact CD1-CB 3.9Å; D94-M192 PolarHBondContact O-N 2.54Å; Y99-M192 HydrophobicContact CD1-CE 3.76Å; Y99-M192 HydrophobicContact CD1-SD 4.28Å; Y99-M192 HydrophobicContact CE1-CE 3.31Å; Y99-M192 HydrophobicContact CE1-SD 4.39Å; N101-M192 HydrophobicContact CB-CE 3.95Å; N101-M192 HydrophobicContact CB-SD 3.72Å; N101-M192 PolarHBondContact N-SD 3.17Å
193	N	89.1	Confident	91.2	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.027	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-72.8	156	176.1	-156.2	7.3	0	0	0	111.2	N208 L212	N193-N208 WeakPolarHBondContact OD1-CB 3.35Å; N193-L212 HydrophobicContact CB-CD2 4.18Å
194	V	87.3	Confident	90.6	Very high	29 Å²	29	52 Å²	52	18%	0.176	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-90.9	126.8	172.2	-178.8	0	0	0	0	108	Q96 T97 V196	Q96-V194 HydrophobicContact CB-CG2 4.42Å; T97-V194 HydrophobicContact CG2-CG2 4.11Å; V194-V196 PolarHBondContact O-N 3.34Å
195	P	85.9	Confident	89.9	Confident	70 Å²	70	53.6 Å²	53.6	46%	0.455	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-62.5	137.4	-178.8	25.4	-34.6	0	0	0	110.4	Y99	Y99-P195 HydrophobicContact CD1-CG 4.46Å; Y99-P195 HydrophobicContact CE1-CG 3.94Å; Y99-P195 HydrophobicContact CE2-CG 4.03Å
196	V	86.8	Confident	89.3	Confident	17 Å²	17	60.4 Å²	60.4	10%	0.103	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-80.1	166.4	171.4	-64.9	0	0	0	0	110.9	K34 V194 Q200 D204 E205 N208	K34-V196 HydrophobicContact CB-CG2 3.97Å; K34-V196 HydrophobicContact CD-CG2 3.93Å; K34-V196 HydrophobicContact CG-CG2 3.51Å; V194-V196 PolarHBondContact O-N 3.34Å; V196-Q200 HydrophobicContact CB-CB 3.85Å; V196-Q200 HydrophobicContact CG2-CB 4.08Å; V196-D204 HydrophobicContact CG1-CB 4.08Å; V196-E205 HydrophobicContact CG1-CB 4.47Å; V196-E205 HydrophobicContact CG2-CB 4.4Å; V196-N208 VanDerWaalsContact CG1-ND2 3.31Å; V196-N208 WeakPolarHBondContact CG1-ND2 3.38Å
197	K	86.8	Confident	88.8	Confident	136 Å²	136	60.8 Å²	60.8	59%	0.591	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-73	163.1	179.8	-59.8	179	-175.9	174.2	0	111.8	H199 Q200	K197-H199 VanDerWaalsContact C-N 3.27Å; K197-H199 VanDerWaalsContact CD-CE1 3.46Å; K197-H199 WeakPolarHBondContact CD-CE1 3.21Å; K197-H199 PolarHBondContact O-N 2.87Å; K197-Q200 HydrophobicContact CB-CG 4.21Å; K197-Q200 WeakPolarHBondContact O-CB 3.43Å; K197-Q200 PolarHBondContact O-N 2.9Å
198	S	82.8	Confident	88.2	Confident	42 Å²	42	59.1 Å²	59.1	29%	0.294	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-39.4	-177.7	60.5	0	0	0	0	114.1	E31 Q200	E31-S198 PolarHBondContact OE2-OG 3.03Å; S198-Q200 VanDerWaalsContact C-N 3.33Å
199	H	81.9	Confident	87.7	Confident	130 Å²	130	55.5 Å²	55.5	60%	0.602	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-6.7	-179.2	61.8	-93	0	0	0	114.2	K197	K197-H199 VanDerWaalsContact C-N 3.27Å; K197-H199 VanDerWaalsContact CD-CE1 3.46Å; K197-H199 WeakPolarHBondContact CD-CE1 3.21Å; K197-H199 PolarHBondContact O-N 2.87Å
200	Q	85.6	Confident	87.1	Confident	48 Å²	48	59.4 Å²	59.4	22%	0.224	30%	0.299	C	S	.	.			trans	-84.7	151.6	179	-70.9	-174.3	-80.2	0	0	110.8	K34 V196 K197 S198 D204	K34-Q200 VanDerWaalsContact CG-O 3.28Å; K34-Q200 WeakPolarHBondContact CG-O 3.46Å; V196-Q200 HydrophobicContact CB-CB 3.85Å; V196-Q200 HydrophobicContact CG2-CB 4.08Å; K197-Q200 HydrophobicContact CB-CG 4.21Å; K197-Q200 WeakPolarHBondContact O-CB 3.43Å; K197-Q200 PolarHBondContact O-N 2.9Å; S198-Q200 VanDerWaalsContact C-N 3.33Å; Q200-D204 HydrophobicContact CB-CB 3.94Å; Q200-D204 WeakPolarHBondContact CB-OD2 3.43Å; Q200-D204 HydrophobicContact CG-CB 4.4Å; Q200-D204 PolarHBondContact NE2-OD1 3.29Å; Q200-D204 VanDerWaalsContact NE2-OD1 3.11Å
201	G	86.8	Confident	86.6	Confident	24 Å²	24	63.7 Å²	63.7	25%	0.247	32%	0.319	C	S	.	.			trans	-97.7	-178.4	-175.5	0	0	0	0	0	113.6	E203 D204 E205	G201-E203 PolarHBondContact O-N 3.09Å; G201-D204 PolarHBondContact N-OD2 3.34Å; G201-D204 PolarHBondContact O-N 3.43Å; G201-E205 PolarHBondContact O-N 3.22Å
202	L	85.5	Confident	86.1	Confident	112 Å²	112	61.4 Å²	61.4	59%	0.586	31%	0.31	S	S	*	.	H	α-helix	trans	-63.5	-26.1	173.7	-61.4	178.4	0	0	0	112.6	P33 K34 E205 R206	P33-L202 HydrophobicContact CB-CD2 4.12Å; P33-L202 HydrophobicContact CB-CG 4.22Å; P33-L202 HydrophobicContact CG-CD2 4.31Å; P33-L202 HydrophobicContact CG-CG 4.05Å; K34-L202 HydrophobicContact CD-CD2 4.41Å; L202-E205 PolarHBondContact O-N 3.5Å; L202-R206 WeakPolarHBondContact O-CB 3.09Å; L202-R206 PolarHBondContact O-N 3Å
203	E	87.2	Confident	85.6	Confident	94 Å²	94	64.3 Å²	64.3	44%	0.439	33%	0.325	S	S	.	.	H	α-helix	trans	-69.4	-40.3	177.1	-173.6	54	-137.7	0	0	111.8	G201 E205 R206 V207	G201-E203 PolarHBondContact O-N 3.09Å; E203-E205 VanDerWaalsContact C-N 3.3Å; E203-E205 PolarHBondContact O-N 3.3Å; E203-R206 VanDerWaalsContact CD-NH2 3.29Å; E203-R206 WeakPolarHBondContact O-CB 3.41Å; E203-R206 PolarHBondContact O-N 3.45Å; E203-R206 IonicContact OE1-CZ 3.51Å; E203-R206 IonicContact OE1-NE 3.96Å; E203-R206 PolarHBondContact OE1-NE 3.24Å; E203-R206 IonicContact OE1-NH2 3.82Å; E203-R206 PolarHBondContact OE1-NH2 3.42Å; E203-R206 IonicContact OE2-CZ 2.66Å; E203-R206 IonicContact OE2-NE 3.45Å; E203-R206 PolarHBondContact OE2-NE 2.93Å; E203-R206 VanDerWaalsContact OE2-NE 3.12Å; E203-R206 IonicContact OE2-NH1 3.76Å; E203-R206 IonicContact OE2-NH2 2.97Å; E203-R206 PolarHBondContact OE2-NH2 3.29Å; E203-V207 WeakPolarHBondContact O-CG2 3.42Å; E203-V207 PolarHBondContact O-N 3.08Å
204	D	86.4	Confident	85.3	Confident	65 Å²	65	69.3 Å²	69.3	35%	0.348	35%	0.351	S	S	.	.	H	α-helix	trans	-61.3	-42.3	173.2	-63.1	-84.1	0	0	0	111.2	V196 Q200 G201 V207 N208	V196-D204 HydrophobicContact CG1-CB 4.08Å; Q200-D204 HydrophobicContact CB-CB 3.94Å; Q200-D204 WeakPolarHBondContact CB-OD2 3.43Å; Q200-D204 HydrophobicContact CG-CB 4.4Å; Q200-D204 PolarHBondContact NE2-OD1 3.29Å; Q200-D204 VanDerWaalsContact NE2-OD1 3.11Å; G201-D204 PolarHBondContact N-OD2 3.34Å; G201-D204 PolarHBondContact O-N 3.43Å; D204-V207 PolarHBondContact O-N 2.9Å; D204-N208 PolarHBondContact O-N 3.32Å; D204-N208 VanDerWaalsContact O-N 3.11Å
205	E	85.1	Confident	84.8	Confident	34 Å²	34	72.6 Å²	72.6	16%	0.159	36%	0.364	C	S	.	.	H	α-helix	trans	-64	-40.6	176.4	177.4	163.2	-131.1	0	0	111.9	K34 V196 G201 L202 E203 V207 N208 F209	K34-E205 WeakPolarHBondContact CD-OE2 3.34Å; K34-E205 WeakPolarHBondContact CE-OE2 3.28Å; K34-E205 IonicContact NZ-OE1 2.87Å; K34-E205 PolarHBondContact NZ-OE1 3.46Å; K34-E205 IonicContact NZ-OE2 3.12Å; K34-E205 PolarHBondContact NZ-OE2 2.9Å; V196-E205 HydrophobicContact CG1-CB 4.47Å; V196-E205 HydrophobicContact CG2-CB 4.4Å; G201-E205 PolarHBondContact O-N 3.22Å; L202-E205 PolarHBondContact O-N 3.5Å; E203-E205 VanDerWaalsContact C-N 3.3Å; E203-E205 PolarHBondContact O-N 3.3Å; E205-V207 VanDerWaalsContact C-N 3.34Å; E205-V207 PolarHBondContact O-N 3.11Å; E205-N208 PolarHBondContact O-N 2.95Å; E205-F209 WeakPolarHBondContact O-CB 3.42Å; E205-F209 PolarHBondContact O-N 3.25Å
206	R	86.3	Confident	84.3	Confident	143 Å²	143	70.5 Å²	70.5	54%	0.54	35%	0.353	S	S	.	.	H	α-helix	trans	-59.2	-44.4	174.9	-173.7	-178.3	78.9	159	3.2	111.4	L202 E203 F209 I210	L202-R206 WeakPolarHBondContact O-CB 3.09Å; L202-R206 PolarHBondContact O-N 3Å; E203-R206 VanDerWaalsContact CD-NH2 3.29Å; E203-R206 WeakPolarHBondContact O-CB 3.41Å; E203-R206 PolarHBondContact O-N 3.45Å; E203-R206 IonicContact OE1-CZ 3.51Å; E203-R206 IonicContact OE1-NE 3.96Å; E203-R206 PolarHBondContact OE1-NE 3.24Å; E203-R206 IonicContact OE1-NH2 3.82Å; E203-R206 PolarHBondContact OE1-NH2 3.42Å; E203-R206 IonicContact OE2-CZ 2.66Å; E203-R206 IonicContact OE2-NE 3.45Å; E203-R206 PolarHBondContact OE2-NE 2.93Å; E203-R206 VanDerWaalsContact OE2-NE 3.12Å; E203-R206 IonicContact OE2-NH1 3.76Å; E203-R206 IonicContact OE2-NH2 2.97Å; E203-R206 PolarHBondContact OE2-NH2 3.29Å; R206-F209 PolarHBondContact O-N 3.25Å; R206-I210 HydrophobicContact CG-CD1 4.14Å; R206-I210 WeakPolarHBondContact O-CG1 3.31Å; R206-I210 PolarHBondContact O-N 3.31Å
207	V	86.3	Confident	83.7	Confident	59 Å²	59	76.4 Å²	76.4	36%	0.358	38%	0.383	S	S	.	.	H	α-helix	trans	-61.6	-46.3	177.7	171.5	0	0	0	0	110.9	E203 D204 E205 F209 I210 H211	E203-V207 WeakPolarHBondContact O-CG2 3.42Å; E203-V207 PolarHBondContact O-N 3.08Å; D204-V207 PolarHBondContact O-N 2.9Å; E205-V207 VanDerWaalsContact C-N 3.34Å; E205-V207 PolarHBondContact O-N 3.11Å; V207-F209 VanDerWaalsContact C-N 3.29Å; V207-F209 PolarHBondContact O-N 3.4Å; V207-I210 PolarHBondContact O-N 3Å; V207-H211 PolarHBondContact O-N 3.49Å; V207-H211 VanDerWaalsContact O-N 3.08Å; V207-H211 PolarHBondContact O-ND1 3.38Å
208	N	85.1	Confident	82.5	Confident	42 Å²	42	75.5 Å²	75.5	23%	0.225	41%	0.412	C	S	.	.	H	α-helix	trans	-60.3	-40.9	175.5	-73.6	-6.8	0	0	0	111.9	N193 V196 D204 E205 H211 L212	N193-N208 WeakPolarHBondContact OD1-CB 3.35Å; V196-N208 VanDerWaalsContact CG1-ND2 3.31Å; V196-N208 WeakPolarHBondContact CG1-ND2 3.38Å; D204-N208 PolarHBondContact O-N 3.32Å; D204-N208 VanDerWaalsContact O-N 3.11Å; E205-N208 PolarHBondContact O-N 2.95Å; N208-H211 PolarHBondContact O-N 3.28Å; N208-L212 PolarHBondContact O-N 3.01Å
209	F	85.4	Confident	82.5	Confident	64 Å²	64	77.2 Å²	77.2	28%	0.281	42%	0.418	S	S	.	.	H	α-helix	trans	-66.5	-39.5	179	-164.6	-106.7	0	0	0	112.7	I71 E205 R206 V207 H211 L212 I213	I71-F209 HydrophobicContact CD1-CE2 3.77Å; I71-F209 HydrophobicContact CD1-CZ 3.79Å; I71-F209 HydrophobicContact CG1-CE2 3.97Å; I71-F209 HydrophobicContact CG1-CZ 4.06Å; E205-F209 WeakPolarHBondContact O-CB 3.42Å; E205-F209 PolarHBondContact O-N 3.25Å; R206-F209 PolarHBondContact O-N 3.25Å; V207-F209 VanDerWaalsContact C-N 3.29Å; V207-F209 PolarHBondContact O-N 3.4Å; F209-H211 VanDerWaalsContact C-N 3.34Å; F209-L212 HydrophobicContact CD2-CD2 4.42Å; F209-L212 WeakPolarHBondContact O-CB 3.43Å; F209-L212 PolarHBondContact O-N 3.22Å; F209-I213 HydrophobicContact CD1-CD1 3.59Å; F209-I213 HydrophobicContact CD1-CG1 4.33Å; F209-I213 HydrophobicContact CE1-CD1 3.42Å; F209-I213 VanDerWaalsContact CE1-CD1 3.42Å; F209-I213 HydrophobicContact CE1-CG1 4.16Å; F209-I213 HydrophobicContact CZ-CD1 4.25Å; F209-I213 WeakPolarHBondContact O-CG1 3.45Å; F209-I213 PolarHBondContact O-N 3.06Å
210	I	85.6	Confident	82.5	Confident	81 Å²	81	74.4 Å²	74.4	42%	0.415	41%	0.408	S	S	.	.	H	α-helix	trans	-60.7	-45.9	173.2	-70.5	166.8	0	0	0	110.2	R206 V207 L212 I213 L214	R206-I210 HydrophobicContact CG-CD1 4.14Å; R206-I210 WeakPolarHBondContact O-CG1 3.31Å; R206-I210 PolarHBondContact O-N 3.31Å; V207-I210 PolarHBondContact O-N 3Å; I210-L212 VanDerWaalsContact C-N 3.31Å; I210-L212 PolarHBondContact O-N 3.44Å; I210-I213 PolarHBondContact O-N 3.26Å; I210-L214 HydrophobicContact CG2-CD1 4.11Å; I210-L214 HydrophobicContact CG2-CG 4.5Å; I210-L214 WeakPolarHBondContact O-CG 3.44Å; I210-L214 PolarHBondContact O-N 3.11Å
211	H	84.2	Confident	82.3	Confident	92 Å²	92	75.8 Å²	75.8	43%	0.426	42%	0.419	S	S	.	.	H	α-helix	trans	-61	-40.7	176.2	-64.4	150	0	0	0	111.9	V207 N208 F209 I213 L214 E215	V207-H211 PolarHBondContact O-N 3.49Å; V207-H211 VanDerWaalsContact O-N 3.08Å; V207-H211 PolarHBondContact O-ND1 3.38Å; N208-H211 PolarHBondContact O-N 3.28Å; F209-H211 VanDerWaalsContact C-N 3.34Å; H211-I213 PolarHBondContact O-N 2.62Å; H211-L214 PolarHBondContact O-N 3.34Å; H211-E215 PolarHBondContact O-N 3.03Å
212	L	85.4	Confident	82.1	Confident	1 Å²	1	78.9 Å²	78.9	1%	0.005	43%	0.429	C	S	.	.	H	α-helix	trans	-60.9	-44.3	176.8	-171.7	70.2	0	0	0	111.7	I71 Y191 N193 N208 F209 I210 E215 A216	I71-L212 HydrophobicContact CD1-CD2 3.85Å; I71-L212 HydrophobicContact CD1-CG 4.34Å; I71-L212 HydrophobicContact CG1-CD2 4.41Å; Y191-L212 HydrophobicContact CD1-CD1 4.37Å; N193-L212 HydrophobicContact CB-CD2 4.18Å; N208-L212 PolarHBondContact O-N 3.01Å; F209-L212 HydrophobicContact CD2-CD2 4.42Å; F209-L212 WeakPolarHBondContact O-CB 3.43Å; F209-L212 PolarHBondContact O-N 3.22Å; I210-L212 VanDerWaalsContact C-N 3.31Å; I210-L212 PolarHBondContact O-N 3.44Å; L212-E215 PolarHBondContact O-N 3.07Å; L212-A216 WeakPolarHBondContact O-CB 3.46Å; L212-A216 PolarHBondContact O-N 3.3Å
213	I	82.1	Confident	81.9	Confident	62 Å²	62	76.8 Å²	76.8	32%	0.318	42%	0.419	S	S	.	.	H	α-helix	trans	-62.9	-44.5	177.4	-70.8	166.5	0	0	0	110.7	I71 F209 I210 H211 E215 A216 L217	I71-I213 HydrophobicContact CD1-CG1 3.97Å; F209-I213 HydrophobicContact CD1-CD1 3.59Å; F209-I213 HydrophobicContact CD1-CG1 4.33Å; F209-I213 HydrophobicContact CE1-CD1 3.42Å; F209-I213 VanDerWaalsContact CE1-CD1 3.42Å; F209-I213 HydrophobicContact CE1-CG1 4.16Å; F209-I213 HydrophobicContact CZ-CD1 4.25Å; F209-I213 WeakPolarHBondContact O-CG1 3.45Å; F209-I213 PolarHBondContact O-N 3.06Å; I210-I213 PolarHBondContact O-N 3.26Å; H211-I213 PolarHBondContact O-N 2.62Å; I213-E215 VanDerWaalsContact C-N 3.29Å; I213-E215 PolarHBondContact O-N 3.12Å; I213-A216 PolarHBondContact O-N 2.87Å; I213-A216 VanDerWaalsContact O-N 3.12Å; I213-L217 HydrophobicContact CG2-CD1 3.66Å; I213-L217 HydrophobicContact CG2-CG 4.18Å; I213-L217 WeakPolarHBondContact O-CB 3.36Å; I213-L217 VanDerWaalsContact O-CG 3.3Å; I213-L217 WeakPolarHBondContact O-CG 3.01Å; I213-L217 PolarHBondContact O-N 2.87Å
214	L	83.8	Confident	81.5	Confident	111 Å²	111	75.7 Å²	75.7	58%	0.581	42%	0.418	S	S	*	.	H	α-helix	trans	-61.2	-39.1	179.4	-70.3	172.9	0	0	0	111.9	I210 H211 G218	I210-L214 HydrophobicContact CG2-CD1 4.11Å; I210-L214 HydrophobicContact CG2-CG 4.5Å; I210-L214 WeakPolarHBondContact O-CG 3.44Å; I210-L214 PolarHBondContact O-N 3.11Å; H211-L214 PolarHBondContact O-N 3.34Å; L214-G218 PolarHBondContact O-N 2.87Å
215	E	77	Confident	81.2	Confident	98 Å²	98	76.4 Å²	76.4	46%	0.458	42%	0.423	S	S	.	.	H	α-helix	trans	-71	-33.1	173.4	-72.8	-178.4	174.1	0	0	113.3	Q96 H211 L212 I213 L217	Q96-E215 WeakPolarHBondContact CG-OE2 3.07Å; H211-E215 PolarHBondContact O-N 3.03Å; L212-E215 PolarHBondContact O-N 3.07Å; I213-E215 VanDerWaalsContact C-N 3.29Å; I213-E215 PolarHBondContact O-N 3.12Å; E215-L217 VanDerWaalsContact C-N 3.28Å; E215-L217 PolarHBondContact O-N 3.37Å
216	A	75.3	Confident	80.9	Confident	25 Å²	25	79.7 Å²	79.7	21%	0.207	44%	0.443	C	S	.	.	H	α-helix	trans	-72.2	-23.3	177.7	0	0	0	0	0	113.3	Y191 L212 I213	Y191-A216 HydrophobicContact CD1-CB 4.3Å; Y191-A216 HydrophobicContact CD2-CB 3.59Å; Y191-A216 HydrophobicContact CE1-CB 4.17Å; Y191-A216 HydrophobicContact CE2-CB 3.48Å; Y191-A216 VanDerWaalsContact CE2-CB 3.48Å; Y191-A216 HydrophobicContact CG-CB 4.03Å; L212-A216 WeakPolarHBondContact O-CB 3.46Å; L212-A216 PolarHBondContact O-N 3.3Å; I213-A216 PolarHBondContact O-N 2.87Å; I213-A216 VanDerWaalsContact O-N 3.12Å
217	L	73.4	Confident	80.4	Confident	141 Å²	141	74.4 Å²	74.4	74%	0.738	44%	0.435	S	S	*	.	H	α-helix	trans	-94.6	-13.1	179.2	-67.2	175.7	0	0	0	114	I213 E215	I213-L217 HydrophobicContact CG2-CD1 3.66Å; I213-L217 HydrophobicContact CG2-CG 4.18Å; I213-L217 WeakPolarHBondContact O-CB 3.36Å; I213-L217 VanDerWaalsContact O-CG 3.3Å; I213-L217 WeakPolarHBondContact O-CG 3.01Å; I213-L217 PolarHBondContact O-N 2.87Å; E215-L217 VanDerWaalsContact C-N 3.28Å; E215-L217 PolarHBondContact O-N 3.37Å
218	G	61.4	Low	79.9	Confident	117 Å²	117	75.8 Å²	75.8	100%	1.206	44%	0.442	S	S	*	.			trans	-87.6	0	178	0	0	0	0	0	113.2	L214	L214-G218 PolarHBondContact O-N 2.87Å

Retrieved 218 of 218 residues in 45.7 ms (Link to these results)

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