A0A3Q0KU65_SCHMA Loading...

Purine nucleoside phosphorylase AlphaSync

The purine nucleoside phosphorylases catalyze the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate.

AlphaFold DB , UniProt , Accession A0A3Q0KU65, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 287 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	41.4	Very low	83.5	Confident	243 Å²	243	94.6 Å²	94.6	100%	1.197	51%	0.511	S	S	*	.				0	112.9	0	-75.1	-178.4	-106.1	0	0	106.9
2	T	61.7	Low	84.7	Confident	139 Å²	139	86.8 Å²	86.8	85%	0.853	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-66.2	131.7	171.6	42.2	0	0	0	0	108.2
3	T	65.2	Low	85.8	Confident	127 Å²	127	81.8 Å²	81.8	78%	0.779	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-52.6	132.6	174.2	-51.7	0	0	0	0	109.1	V5	T3-V5 PolarHBondContact O-N 3.45Å
4	P	80.7	Confident	86.7	Confident	108 Å²	108	82.1 Å²	82.1	70%	0.701	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-57.4	129.4	177.8	-14.6	24.1	0	0	0	109.2	V6	P4-V6 PolarHBondContact O-N 3.09Å
5	V	84.9	Confident	87.4	Confident	47 Å²	47	76.7 Å²	76.7	29%	0.285	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-67.4	121.9	177	174.4	0	0	0	0	108.3	T3 N57 Q96 L100	T3-V5 PolarHBondContact O-N 3.45Å; V5-N57 HydrophobicContact CG1-CB 3.75Å; V5-N57 HydrophobicContact CG2-CB 4.38Å; V5-Q96 WeakPolarHBondContact O-CB 3.31Å; V5-L100 HydrophobicContact CG1-CD1 3.55Å
6	V	95	Very high	88.1	Confident	60 Å²	60	71.9 Å²	71.9	36%	0.364	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-88.5	136.2	170.4	-178.1	0	0	0	0	108.3	P4 N8 N11	P4-V6 PolarHBondContact O-N 3.09Å; V6-N8 HydrophobicContact CG1-CB 4.05Å; V6-N8 PolarHBondContact O-N 3.14Å; V6-N11 WeakPolarHBondContact O-CB 3.31Å; V6-N11 PolarHBondContact O-ND2 3.49Å
7	A	97.7	Very high	88.7	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	39%	0.389	C	S	.	.			trans	-78.4	45.2	176.8	0	0	0	0	0	112.4	Q96 A99 L100 R103	A7-Q96 HydrophobicContact CB-CB 4.37Å; A7-Q96 WeakPolarHBondContact CB-O 3.39Å; A7-A99 HydrophobicContact CB-CB 3.92Å; A7-L100 HydrophobicContact CB-CB 3.89Å; A7-R103 WeakPolarHBondContact O-CD 3.48Å; A7-R103 PolarHBondContact O-NH1 3.17Å
8	N	97.8	Very high	89.3	Confident	38 Å²	38	71.4 Å²	71.4	20%	0.203	38%	0.38	C	S	.	.			trans	-79.1	173.1	178.7	67.9	8.7	0	0	0	111.7	V6 E10 N11 A12 Q154	V6-N8 HydrophobicContact CG1-CB 4.05Å; V6-N8 PolarHBondContact O-N 3.14Å; N8-E10 VanDerWaalsContact C-N 3.32Å; N8-E10 PolarHBondContact O-N 3.34Å; N8-E10 PolarHBondContact OD1-N 3.13Å; N8-N11 WeakPolarHBondContact OD1-CB 3.49Å; N8-N11 PolarHBondContact OD1-N 3.42Å; N8-N11 PolarHBondContact OD1-ND2 3.42Å; N8-A12 WeakPolarHBondContact O-CB 3.38Å; N8-A12 PolarHBondContact O-N 3.21Å; N8-A12 VanDerWaalsContact O-N 3.09Å; N8-Q154 VanDerWaalsContact CA-OE1 3.26Å
9	Y	98.2	Very high	89.7	Confident	115 Å²	115	67.7 Å²	67.7	45%	0.451	36%	0.361	S	S	.	.	H	α-helix	trans	-59.6	-41.6	-178	-179.1	-103.2	0	0	0	112.7	S13 L107 E156 F157	Y9-S13 VanDerWaalsContact O-CB 3.26Å; Y9-S13 WeakPolarHBondContact O-CB 3.39Å; Y9-S13 PolarHBondContact O-N 2.97Å; Y9-S13 PolarHBondContact O-OG 3.09Å; Y9-L107 HydrophobicContact CD2-CD2 4.26Å; Y9-L107 HydrophobicContact CE2-CD1 4.45Å; Y9-L107 HydrophobicContact CE2-CD2 3.75Å; Y9-E156 HydrophobicContact CD2-CB 4Å; Y9-E156 HydrophobicContact CD2-CG 4.47Å; Y9-E156 HydrophobicContact CG-CB 4.18Å; Y9-E156 HydrophobicContact CG-CG 4.21Å; Y9-F157 HydrophobicContact CD2-CZ 4.37Å
10	E	98	Very high	90.1	Very high	134 Å²	134	68.8 Å²	68.8	63%	0.626	36%	0.362	S	S	*	.	H	α-helix	trans	-63.1	-51.9	-179.7	-175.2	179.3	-171.8	0	0	112.2	N8 A12 S13 M14	N8-E10 VanDerWaalsContact C-N 3.32Å; N8-E10 PolarHBondContact O-N 3.34Å; N8-E10 PolarHBondContact OD1-N 3.13Å; E10-A12 PolarHBondContact O-N 3.29Å; E10-S13 PolarHBondContact O-N 3.11Å; E10-M14 PolarHBondContact O-N 3.18Å
11	N	97.9	Very high	90.5	Very high	30 Å²	30	73.9 Å²	73.9	16%	0.16	38%	0.376	C	S	.	.	H	α-helix	trans	-66.6	-38	-178.1	-70.8	-23.7	0	0	0	112	V6 N8 A15 N57	V6-N11 WeakPolarHBondContact O-CB 3.31Å; V6-N11 PolarHBondContact O-ND2 3.49Å; N8-N11 WeakPolarHBondContact OD1-CB 3.49Å; N8-N11 PolarHBondContact OD1-N 3.42Å; N8-N11 PolarHBondContact OD1-ND2 3.42Å; N11-A15 PolarHBondContact O-N 3.24Å; N11-N57 PolarHBondContact O-ND2 3.35Å
12	A	98.4	Very high	93.2	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-67.3	-39.5	174.1	0	0	0	0	0	111.8	N8 E10 A15 A16 R103 V104 L107 F157	N8-A12 WeakPolarHBondContact O-CB 3.38Å; N8-A12 PolarHBondContact O-N 3.21Å; N8-A12 VanDerWaalsContact O-N 3.09Å; E10-A12 PolarHBondContact O-N 3.29Å; A12-A15 PolarHBondContact O-N 3.44Å; A12-A16 WeakPolarHBondContact O-CB 3.4Å; A12-A16 PolarHBondContact O-N 3.01Å; A12-R103 HydrophobicContact CB-CB 4.34Å; A12-V104 HydrophobicContact CB-CG2 3.97Å; A12-L107 HydrophobicContact CB-CD1 3.73Å; A12-F157 HydrophobicContact CB-CZ 3.86Å
13	S	98.3	Very high	94.8	Very high	23 Å²	23	58.4 Å²	58.4	16%	0.161	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-42.1	176.5	-62	0	0	0	0	111.5	Y9 E10 A15 A16 D17	Y9-S13 VanDerWaalsContact O-CB 3.26Å; Y9-S13 WeakPolarHBondContact O-CB 3.39Å; Y9-S13 PolarHBondContact O-N 2.97Å; Y9-S13 PolarHBondContact O-OG 3.09Å; E10-S13 PolarHBondContact O-N 3.11Å; S13-A15 VanDerWaalsContact C-N 3.31Å; S13-A15 PolarHBondContact O-N 3.25Å; S13-A16 PolarHBondContact O-N 2.9Å; S13-D17 WeakPolarHBondContact O-CB 3.27Å; S13-D17 VanDerWaalsContact O-CG 3.27Å; S13-D17 PolarHBondContact O-N 3.23Å
14	M	98	Very high	96.2	Very high	86 Å²	86	59.5 Å²	59.5	42%	0.424	30%	0.297	S	S	.	.	H	α-helix	trans	-58.2	-42.6	176.5	-168.9	-173.6	-58.3	0	0	112.4	E10 Y18 P56	E10-M14 PolarHBondContact O-N 3.18Å; M14-Y18 PolarHBondContact O-N 2.9Å; M14-P56 HydrophobicContact CG-CB 4.03Å; M14-P56 HydrophobicContact CG-CG 4.48Å; M14-P56 HydrophobicContact SD-CB 4.01Å
15	A	98.2	Very high	97	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.9	-46.3	174.8	0	0	0	0	0	111.8	N11 A12 S13 D17 Y18 I19 I55 P56 F58 V104	N11-A15 PolarHBondContact O-N 3.24Å; A12-A15 PolarHBondContact O-N 3.44Å; S13-A15 VanDerWaalsContact C-N 3.31Å; S13-A15 PolarHBondContact O-N 3.25Å; A15-D17 PolarHBondContact O-N 3.39Å; A15-Y18 WeakPolarHBondContact O-CB 3.45Å; A15-Y18 PolarHBondContact O-N 2.92Å; A15-I19 WeakPolarHBondContact O-CD1 3.47Å; A15-I19 VanDerWaalsContact O-CG1 3.31Å; A15-I19 WeakPolarHBondContact O-CG1 3.44Å; A15-I19 PolarHBondContact O-N 3.35Å; A15-I55 HydrophobicContact CB-CG2 3.84Å; A15-P56 WeakPolarHBondContact CB-O 3.25Å; A15-F58 HydrophobicContact CB-CD2 4.07Å; A15-F58 HydrophobicContact CB-CE2 4.01Å; A15-V104 HydrophobicContact CB-CG1 4.42Å; A15-V104 HydrophobicContact CB-CG2 3.74Å
16	A	98.4	Very high	97.6	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-41.8	179	0	0	0	0	0	112.2	A12 S13 I19 K20 V104 L107 L108	A12-A16 WeakPolarHBondContact O-CB 3.4Å; A12-A16 PolarHBondContact O-N 3.01Å; S13-A16 PolarHBondContact O-N 2.9Å; A16-I19 PolarHBondContact O-N 3.3Å; A16-K20 VanDerWaalsContact O-CG 3.32Å; A16-K20 WeakPolarHBondContact O-CG 3.49Å; A16-K20 PolarHBondContact O-N 3.34Å; A16-V104 HydrophobicContact CB-CG1 4.3Å; A16-L107 HydrophobicContact CB-CB 3.9Å; A16-L107 HydrophobicContact CB-CD1 4.49Å; A16-L108 HydrophobicContact CB-CD2 4.15Å
17	D	98.3	Very high	97.7	Very high	76 Å²	76	54.6 Å²	54.6	41%	0.406	26%	0.261	S	S	.	.	H	α-helix	trans	-66.3	-38	178	-72.3	-16.9	0	0	0	111.9	S13 A15 K20 R21	S13-D17 WeakPolarHBondContact O-CB 3.27Å; S13-D17 VanDerWaalsContact O-CG 3.27Å; S13-D17 PolarHBondContact O-N 3.23Å; A15-D17 PolarHBondContact O-N 3.39Å; D17-K20 PolarHBondContact O-N 3.03Å; D17-R21 WeakPolarHBondContact O-CG 3.31Å; D17-R21 PolarHBondContact O-N 3.03Å; D17-R21 VanDerWaalsContact O-N 3.09Å; D17-R21 PolarHBondContact O-NH1 3.01Å
18	Y	98.5	Very high	97.7	Very high	58 Å²	58	57.7 Å²	57.7	23%	0.227	28%	0.278	C	S	.	.	H	α-helix	trans	-60.1	-48.2	171.1	175.8	-91.4	0	0	0	111.2	M14 A15 K20 R21 V22 I50 N54 I55 P56	M14-Y18 PolarHBondContact O-N 2.9Å; A15-Y18 WeakPolarHBondContact O-CB 3.45Å; A15-Y18 PolarHBondContact O-N 2.92Å; Y18-K20 VanDerWaalsContact C-N 3.35Å; Y18-K20 PolarHBondContact O-N 3.18Å; Y18-R21 PolarHBondContact O-N 3.25Å; Y18-R21 VanDerWaalsContact O-N 3.13Å; Y18-V22 HydrophobicContact CD1-CG2 4.3Å; Y18-V22 HydrophobicContact CE1-CG2 3.82Å; Y18-V22 HydrophobicContact CE2-CG2 4.12Å; Y18-V22 WeakPolarHBondContact O-CG2 3.32Å; Y18-V22 PolarHBondContact O-N 3.29Å; Y18-V22 VanDerWaalsContact O-N 3.14Å; Y18-I50 HydrophobicContact CE1-CG2 3.94Å; Y18-N54 HydrophobicContact CE1-CB 4.49Å; Y18-N54 VanDerWaalsContact CE1-O 3.31Å; Y18-N54 WeakPolarHBondContact CE1-O 3.39Å; Y18-N54 PolarHBondContact OH-O 3.46Å; Y18-I55 HydrophobicContact CD1-CB 4.36Å; Y18-I55 HydrophobicContact CD1-CG1 4.22Å; Y18-I55 HydrophobicContact CD1-CG2 4.28Å; Y18-I55 HydrophobicContact CE1-CG1 4.16Å; Y18-P56 HydrophobicContact CD2-CG 4.34Å; Y18-P56 VanDerWaalsContact CG-CD 3.47Å; Y18-P56 HydrophobicContact CG-CG 4.18Å
19	I	98.4	Very high	97.7	Very high	1 Å²	1	56 Å²	56	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-43.6	179.8	-66	159.3	0	0	0	110.9	A15 A16 R21 V22 S23 I50 I55 F58 L70 L72 V104 L108	A15-I19 WeakPolarHBondContact O-CD1 3.47Å; A15-I19 VanDerWaalsContact O-CG1 3.31Å; A15-I19 WeakPolarHBondContact O-CG1 3.44Å; A15-I19 PolarHBondContact O-N 3.35Å; A16-I19 PolarHBondContact O-N 3.3Å; I19-R21 VanDerWaalsContact C-N 3.28Å; I19-R21 PolarHBondContact O-N 3.27Å; I19-V22 PolarHBondContact O-N 2.82Å; I19-V22 VanDerWaalsContact O-N 3.09Å; I19-S23 PolarHBondContact O-N 3.27Å; I19-I50 HydrophobicContact CG1-CD1 4.47Å; I19-I50 HydrophobicContact CG2-CD1 4.11Å; I19-I55 HydrophobicContact CD1-CD1 4.29Å; I19-I55 HydrophobicContact CD1-CG2 4.06Å; I19-I55 HydrophobicContact CG1-CD1 4.29Å; I19-I55 HydrophobicContact CG1-CG1 4.45Å; I19-I55 HydrophobicContact CG1-CG2 4.14Å; I19-F58 HydrophobicContact CD1-CE2 4.46Å; I19-L70 HydrophobicContact CD1-CD2 3.56Å; I19-L70 HydrophobicContact CG1-CD2 4.18Å; I19-L72 HydrophobicContact CG2-CD1 4.09Å; I19-L72 HydrophobicContact CG2-CD2 3.7Å; I19-V104 HydrophobicContact CD1-CG1 3.58Å; I19-L108 HydrophobicContact CB-CD2 4.13Å; I19-L108 HydrophobicContact CD1-CD1 4.16Å; I19-L108 HydrophobicContact CG2-CD1 3.94Å; I19-L108 HydrophobicContact CG2-CD2 3.89Å
20	K	98	Very high	97.7	Very high	90 Å²	90	50.5 Å²	50.5	39%	0.391	25%	0.247	S	C	.	.	H	α-helix	trans	-63.8	-26.7	176.3	-72	170.6	-176.2	171	0	113.7	A16 D17 Y18 S23 L107 L108	A16-K20 VanDerWaalsContact O-CG 3.32Å; A16-K20 WeakPolarHBondContact O-CG 3.49Å; A16-K20 PolarHBondContact O-N 3.34Å; D17-K20 PolarHBondContact O-N 3.03Å; Y18-K20 VanDerWaalsContact C-N 3.35Å; Y18-K20 PolarHBondContact O-N 3.18Å; K20-S23 CarbonylContact C-O 3.54Å; K20-S23 VanDerWaalsContact O-O 3.04Å; K20-L107 PolarHBondContact NZ-O 2.81Å; K20-L108 HydrophobicContact CG-CD2 3.95Å
21	R	97.7	Very high	97.7	Very high	175 Å²	175	44.2 Å²	44.2	66%	0.66	22%	0.218	S	C	*	.	H	α-helix	trans	-76.8	-31	172.4	-73.7	-173.2	-61.7	-92.2	4.6	112.6	D17 Y18 I19	D17-R21 WeakPolarHBondContact O-CG 3.31Å; D17-R21 PolarHBondContact O-N 3.03Å; D17-R21 VanDerWaalsContact O-N 3.09Å; D17-R21 PolarHBondContact O-NH1 3.01Å; Y18-R21 PolarHBondContact O-N 3.25Å; Y18-R21 VanDerWaalsContact O-N 3.13Å; I19-R21 VanDerWaalsContact C-N 3.28Å; I19-R21 PolarHBondContact O-N 3.27Å
22	V	97.3	Very high	97.6	Very high	46 Å²	46	42.8 Å²	42.8	28%	0.279	21%	0.21	S	C	.	.	H	α-helix	trans	-89.7	-25.2	-175.4	176.8	0	0	0	0	112.3	Y18 I19 K48 I50	Y18-V22 HydrophobicContact CD1-CG2 4.3Å; Y18-V22 HydrophobicContact CE1-CG2 3.82Å; Y18-V22 HydrophobicContact CE2-CG2 4.12Å; Y18-V22 WeakPolarHBondContact O-CG2 3.32Å; Y18-V22 PolarHBondContact O-N 3.29Å; Y18-V22 VanDerWaalsContact O-N 3.14Å; I19-V22 PolarHBondContact O-N 2.82Å; I19-V22 VanDerWaalsContact O-N 3.09Å; V22-K48 HydrophobicContact CG1-CD 4.44Å; V22-K48 VanDerWaalsContact CG1-CE 3.41Å; V22-K48 HydrophobicContact CG1-CG 4.19Å; V22-K48 VanDerWaalsContact O-CE 3.27Å; V22-K48 WeakPolarHBondContact O-CE 3.35Å; V22-I50 HydrophobicContact CB-CD1 4.02Å; V22-I50 HydrophobicContact CG1-CD1 3.74Å; V22-I50 HydrophobicContact CG1-CG1 3.91Å
23	S	96.6	Very high	96.9	Very high	11 Å²	11	43.2 Å²	43.2	8%	0.077	21%	0.213	C	C	.	.			trans	-136.4	138.7	179	-173.6	0	0	0	0	111.4	I19 K20 V25	I19-S23 PolarHBondContact O-N 3.27Å; K20-S23 CarbonylContact C-O 3.54Å; K20-S23 VanDerWaalsContact O-O 3.04Å; S23-V25 VanDerWaalsContact C-N 3.26Å; S23-V25 WeakPolarHBondContact OG-CB 3.35Å; S23-V25 WeakPolarHBondContact OG-CG2 3.41Å; S23-V25 PolarHBondContact OG-N 2.89Å
24	N	94.3	Very high	95.9	Very high	151 Å²	151	42.7 Å²	42.7	81%	0.807	21%	0.211	S	C	*	.			trans	-83.3	-1.6	172.6	62.7	-1.2	0	0	0	113	L26	N24-L26 PolarHBondContact O-N 2.97Å
25	V	96.9	Very high	94.4	Very high	16 Å²	16	40.7 Å²	40.7	10%	0.097	21%	0.205	C	C	.	.			trans	-76.4	120.2	179.9	-178.4	0	0	0	0	109.5	S23 P27 L72 K79	S23-V25 VanDerWaalsContact C-N 3.26Å; S23-V25 WeakPolarHBondContact OG-CB 3.35Å; S23-V25 WeakPolarHBondContact OG-CG2 3.41Å; S23-V25 PolarHBondContact OG-N 2.89Å; V25-P27 WeakPolarHBondContact O-CD 3.4Å; V25-L72 HydrophobicContact CB-CB 4.02Å; V25-L72 HydrophobicContact CB-CD2 4.36Å; V25-L72 HydrophobicContact CG1-CB 4.21Å; V25-L72 HydrophobicContact CG2-CB 4.38Å; V25-K79 HydrophobicContact CG1-CB 4.03Å; V25-K79 HydrophobicContact CG1-CG 4.38Å
26	L	97	Very high	92.8	Very high	95 Å²	95	41.5 Å²	41.5	50%	0.497	21%	0.214	S	C	.	.			trans	-100.5	100	166.9	-64.8	177.8	0	0	0	107.9	N24 K79	N24-L26 PolarHBondContact O-N 2.97Å; L26-K79 WeakPolarHBondContact O-CB 3.41Å; L26-K79 WeakPolarHBondContact O-CD 3.28Å
27	P	97.8	Very high	91.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.			trans	-78.7	134.6	-172.5	32.5	-36.7	0	0	0	112	V25 V81 L108 G109 V110	V25-P27 WeakPolarHBondContact O-CD 3.4Å; P27-V81 HydrophobicContact CB-CB 3.85Å; P27-V81 HydrophobicContact CB-CG1 3.7Å; P27-V81 HydrophobicContact CG-CB 3.82Å; P27-V81 HydrophobicContact CG-CG1 3.58Å; P27-L108 HydrophobicContact CG-CB 3.91Å; P27-L108 HydrophobicContact CG-CD1 4.45Å; P27-G109 CarbonylContact O-C 3.55Å; P27-V110 HydrophobicContact CB-CG2 4.24Å; P27-V110 HydrophobicContact CG-CG2 4Å; P27-V110 PolarHBondContact O-N 3.22Å
28	D	97.6	Very high	90.4	Very high	66 Å²	66	39.7 Å²	39.7	35%	0.353	21%	0.213	S	C	.	.	S	Bend	trans	-90.7	-19.9	170.5	-57.4	-73.2	0	0	0	111.5	K79 R111 V112	D28-K79 PolarHBondContact N-O 3.47Å; D28-K79 VanDerWaalsContact N-O 3.09Å; D28-R111 PolarHBondContact O-N 3.19Å; D28-V112 PolarHBondContact O-N 2.99Å
29	I	98.3	Very high	89.7	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.9	-172.7	-56	160	0	0	0	109.9	I31 R78 K79 V80 V81 V112 L114 I281 L284	I29-I31 HydrophobicContact CG2-CG1 4.28Å; I29-R78 HydrophobicContact CD1-CB 3.77Å; I29-R78 HydrophobicContact CD1-CG 4.37Å; I29-K79 PolarHBondContact N-O 2.74Å; I29-V80 HydrophobicContact CB-CG1 4.15Å; I29-V80 HydrophobicContact CD1-CG1 4.4Å; I29-V80 HydrophobicContact CG2-CG1 4.43Å; I29-V80 CarbonylContact O-C 3.37Å; I29-V80 VanDerWaalsContact O-CA 3.28Å; I29-V80 WeakPolarHBondContact O-CA 3.41Å; I29-V81 PolarHBondContact O-N 3.09Å; I29-V112 CarbonylContact C-O 3.57Å; I29-V112 WeakPolarHBondContact CA-O 3.2Å; I29-L114 HydrophobicContact CG2-CD1 3.89Å; I29-L114 HydrophobicContact CG2-CG 4.01Å; I29-I281 HydrophobicContact CD1-CG2 3.85Å; I29-L284 HydrophobicContact CD1-CD1 3.52Å; I29-L284 HydrophobicContact CG1-CD1 3.74Å; I29-L284 HydrophobicContact CG2-CD1 4.46Å
30	G	98.2	Very high	89.1	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	143.9	169.1	0	0	0	0	0	110.6	V81 V110 V112 L113 L114	G30-V81 CarbonylContact C-O 3.53Å; G30-V81 WeakPolarHBondContact CA-O 3.14Å; G30-V110 VanDerWaalsContact N-CG1 3.28Å; G30-V112 PolarHBondContact N-O 2.88Å; G30-L113 WeakPolarHBondContact O-CA 3.26Å; G30-L114 PolarHBondContact O-N 3.45Å
31	I	97.3	Very high	88.7	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.5	176.9	-54.1	171.4	0	0	0	108.7	I29 L40 V80 V81 A82 M83 L114 I281	I29-I31 HydrophobicContact CG2-CG1 4.28Å; I31-L40 HydrophobicContact CD1-CD2 4.28Å; I31-L40 HydrophobicContact CG2-CD2 4.43Å; I31-V80 HydrophobicContact CD1-CB 4.09Å; I31-V80 HydrophobicContact CD1-CG1 4.12Å; I31-V80 HydrophobicContact CD1-CG2 4.47Å; I31-V81 PolarHBondContact N-O 3.37Å; I31-A82 HydrophobicContact CB-CB 4.08Å; I31-A82 CarbonylContact O-C 3.59Å; I31-A82 WeakPolarHBondContact O-CA 3.37Å; I31-M83 PolarHBondContact O-N 2.96Å; I31-L114 CarbonylContact C-O 3.59Å; I31-L114 WeakPolarHBondContact CA-O 3.38Å; I31-I281 HydrophobicContact CD1-CD1 3.64Å
32	I	95.7	Very high	88.3	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	108	167.1	-61.1	174.5	0	0	0	107.7	G34 M83 R86 I102 L113 L114 I115 T116 E226	I32-G34 PolarHBondContact O-N 2.86Å; I32-M83 HydrophobicContact CD1-SD 4.24Å; I32-M83 HydrophobicContact CG1-CB 4.37Å; I32-M83 HydrophobicContact CG1-SD 4.02Å; I32-R86 HydrophobicContact CG2-CB 4.32Å; I32-R86 HydrophobicContact CG2-CG 3.91Å; I32-I102 HydrophobicContact CD1-CD1 3.54Å; I32-L113 HydrophobicContact CD1-CD1 4.2Å; I32-L113 HydrophobicContact CD1-CD2 4.36Å; I32-L113 HydrophobicContact CG1-CD1 4.11Å; I32-L114 PolarHBondContact N-O 3.09Å; I32-I115 HydrophobicContact CB-CG1 4.32Å; I32-I115 HydrophobicContact CB-CG2 4.25Å; I32-I115 HydrophobicContact CD1-CD1 4.37Å; I32-I115 HydrophobicContact CD1-CG1 4.42Å; I32-I115 HydrophobicContact CG2-CG2 4.47Å; I32-T116 PolarHBondContact O-N 2.95Å; I32-T116 VanDerWaalsContact O-N 3.08Å; I32-E226 HydrophobicContact CD1-CB 3.98Å; I32-E226 HydrophobicContact CD1-CG 3.9Å
33	C	84.8	Confident	88	Confident	9 Å²	9	32.8 Å²	32.8	6%	0.061	19%	0.19	C	C	.	.			trans	-80.6	121	177.9	-62.6	0	0	0	0	109.7	L37 I41	C33-L37 HydrophobicContact CB-CB 3.69Å; C33-L37 PolarHBondContact SG-O 2.77Å; C33-I41 HydrophobicContact CB-CD1 4.08Å
34	G	77.5	Confident	87.9	Confident	12 Å²	12	32.6 Å²	32.6	12%	0.124	19%	0.188	C	C	.	.			trans	-76.3	178.4	157	0	0	0	0	0	110.8	I32 G36 L37 T116	I32-G34 PolarHBondContact O-N 2.86Å; G34-G36 PolarHBondContact O-N 3.4Å; G34-L37 PolarHBondContact O-N 2.95Å; G34-T116 WeakPolarHBondContact CA-O 3.22Å; G34-T116 PolarHBondContact N-O 2.72Å; G34-T116 VanDerWaalsContact N-O 3.15Å; G34-T116 PolarHBondContact N-OG1 3.49Å
35	S	66	Low	88	Confident	43 Å²	43	30.5 Å²	30.5	30%	0.301	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	129.3	170.3	-58.4	0	0	0	0	110.6
36	G	63.3	Low	87.9	Confident	18 Å²	18	38.2 Å²	38.2	19%	0.186	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.5	-24.5	-177.2	0	0	0	0	0	115.3	G34 A270	G34-G36 PolarHBondContact O-N 3.4Å; G36-A270 WeakPolarHBondContact O-CA 3.48Å; G36-A270 WeakPolarHBondContact O-CB 3.49Å
37	L	68.8	Low	87.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.			trans	-92.9	7.3	175.9	-95.9	-155.7	0	0	0	114.7	C33 G34 K39 L40 T116 L273 F277	C33-L37 HydrophobicContact CB-CB 3.69Å; C33-L37 PolarHBondContact SG-O 2.77Å; G34-L37 PolarHBondContact O-N 2.95Å; L37-K39 PolarHBondContact O-N 3.09Å; L37-L40 HydrophobicContact CD1-CD2 4.34Å; L37-L40 HydrophobicContact CD2-CB 4.29Å; L37-L40 HydrophobicContact CD2-CD2 4.43Å; L37-L40 PolarHBondContact O-N 2.7Å; L37-T116 HydrophobicContact CD1-CG2 3.25Å; L37-T116 WeakPolarHBondContact CD1-OG1 3.4Å; L37-T116 HydrophobicContact CG-CG2 3.75Å; L37-T116 WeakPolarHBondContact CG-OG1 3.42Å; L37-L273 HydrophobicContact CD2-CB 4.12Å; L37-L273 HydrophobicContact CD2-CD2 3.87Å; L37-L273 HydrophobicContact CD2-CG 3.56Å; L37-L273 HydrophobicContact CG-CD2 3.76Å; L37-L273 HydrophobicContact CG-CG 3.96Å; L37-F277 HydrophobicContact CD1-CD1 3.88Å; L37-F277 HydrophobicContact CD1-CE1 4.09Å; L37-F277 HydrophobicContact CD1-CG 4.14Å
38	G	77.9	Confident	87.8	Confident	38 Å²	38	43 Å²	43	39%	0.392	22%	0.223	S	C	.	.	H	α-helix	trans	-56.4	-35.7	178.8	0	0	0	0	0	113	L40 I41	G38-L40 VanDerWaalsContact C-N 3.31Å; G38-L40 PolarHBondContact O-N 2.96Å; G38-I41 WeakPolarHBondContact O-CB 3.39Å; G38-I41 PolarHBondContact O-N 2.84Å; G38-I41 VanDerWaalsContact O-N 3.16Å
39	K	84.1	Confident	87.8	Confident	60 Å²	60	42.8 Å²	42.8	26%	0.261	22%	0.223	S	C	.	.	H	α-helix	trans	-61.7	-35	180	-63.1	-174.3	-177.9	175.7	0	113	L37 I41 E42 D43 E267 A270 D271 Q274	L37-K39 PolarHBondContact O-N 3.09Å; K39-I41 PolarHBondContact O-N 2.99Å; K39-E42 WeakPolarHBondContact O-CB 3.38Å; K39-E42 PolarHBondContact O-N 3.47Å; K39-D43 PolarHBondContact O-N 2.84Å; K39-E267 WeakPolarHBondContact CE-OE1 3.46Å; K39-E267 IonicContact NZ-OE1 2.69Å; K39-E267 PolarHBondContact NZ-OE1 2.81Å; K39-A270 HydrophobicContact CD-CB 3.95Å; K39-D271 WeakPolarHBondContact CD-OD1 3.21Å; K39-D271 IonicContact NZ-OD1 2.7Å; K39-D271 PolarHBondContact NZ-OD1 2.77Å; K39-D271 IonicContact NZ-OD2 2.81Å; K39-D271 PolarHBondContact NZ-OD2 2.79Å; K39-Q274 PolarHBondContact O-NE2 2.81Å
40	L	86.4	Confident	87.7	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-30.4	178	-177.7	65.9	0	0	0	112.6	I31 L37 G38 E42 D43 Q274 F277 K278 I281	I31-L40 HydrophobicContact CD1-CD2 4.28Å; I31-L40 HydrophobicContact CG2-CD2 4.43Å; L37-L40 HydrophobicContact CD1-CD2 4.34Å; L37-L40 HydrophobicContact CD2-CB 4.29Å; L37-L40 HydrophobicContact CD2-CD2 4.43Å; L37-L40 PolarHBondContact O-N 2.7Å; G38-L40 VanDerWaalsContact C-N 3.31Å; G38-L40 PolarHBondContact O-N 2.96Å; L40-E42 VanDerWaalsContact C-N 3.3Å; L40-D43 PolarHBondContact O-N 2.95Å; L40-Q274 HydrophobicContact CB-CG 4.2Å; L40-Q274 HydrophobicContact CD1-CG 4.15Å; L40-F277 HydrophobicContact CD2-CB 3.84Å; L40-K278 HydrophobicContact CD1-CB 4.29Å; L40-I281 HydrophobicContact CD2-CD1 4.35Å
41	I	90	Very high	87.6	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-72.3	-28.4	179.2	-56.4	-176.8	0	0	0	111.3	C33 G38 K39 D43 I44 R47 V71 A82 Q84	C33-I41 HydrophobicContact CB-CD1 4.08Å; G38-I41 WeakPolarHBondContact O-CB 3.39Å; G38-I41 PolarHBondContact O-N 2.84Å; G38-I41 VanDerWaalsContact O-N 3.16Å; K39-I41 PolarHBondContact O-N 2.99Å; I41-D43 VanDerWaalsContact C-N 3.31Å; I41-I44 HydrophobicContact CB-CD1 4.49Å; I41-I44 HydrophobicContact CG2-CD1 4.21Å; I41-I44 PolarHBondContact O-N 3.35Å; I41-R47 PolarHBondContact O-NH1 3.26Å; I41-V71 HydrophobicContact CG2-CB 3.93Å; I41-V71 HydrophobicContact CG2-CG1 4.06Å; I41-V71 HydrophobicContact CG2-CG2 3.64Å; I41-A82 HydrophobicContact CD1-CB 4.28Å; I41-A82 HydrophobicContact CG1-CB 4.13Å; I41-Q84 HydrophobicContact CD1-CB 3.57Å; I41-Q84 HydrophobicContact CD1-CG 3.77Å; I41-Q84 HydrophobicContact CG2-CB 4.36Å; I41-Q84 HydrophobicContact CG2-CG 4.48Å
42	E	89.1	Confident	87.6	Confident	97 Å²	97	45 Å²	45	45%	0.453	24%	0.238	S	C	.	.	H	α-helix	trans	-72.5	-26.3	176.4	-59.6	-51.9	135.4	0	0	112.7	K39 L40 I44 R47 Q84	K39-E42 WeakPolarHBondContact O-CB 3.38Å; K39-E42 PolarHBondContact O-N 3.47Å; L40-E42 VanDerWaalsContact C-N 3.3Å; E42-I44 VanDerWaalsContact C-N 3.33Å; E42-I44 PolarHBondContact O-N 3.28Å; E42-R47 VanDerWaalsContact CD-NH1 3.34Å; E42-R47 IonicContact OE1-NH1 3.54Å; E42-R47 IonicContact OE2-CZ 2.99Å; E42-R47 VanDerWaalsContact OE2-CZ 3.26Å; E42-R47 IonicContact OE2-NH1 2.78Å; E42-R47 PolarHBondContact OE2-NH1 3.31Å; E42-R47 IonicContact OE2-NH2 2.82Å; E42-R47 PolarHBondContact OE2-NH2 3.04Å; E42-Q84 PolarHBondContact OE1-NE2 3.21Å
43	D	89.5	Confident	87.5	Confident	65 Å²	65	50.5 Å²	50.5	35%	0.348	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-2.3	177.1	-82.4	13.1	0	0	0	114.4	K39 L40 I41 E45 Q274 K278	K39-D43 PolarHBondContact O-N 2.84Å; L40-D43 PolarHBondContact O-N 2.95Å; I41-D43 VanDerWaalsContact C-N 3.31Å; D43-E45 PolarHBondContact O-N 3.19Å; D43-Q274 PolarHBondContact OD1-NE2 3.43Å; D43-Q274 PolarHBondContact OD2-NE2 3.32Å; D43-K278 IonicContact OD2-NZ 3.83Å
44	I	95.1	Very high	88.1	Confident	7 Å²	7	54.1 Å²	54.1	4%	0.036	28%	0.284	C	S	.	.			trans	-67.9	117.3	-179.9	-60.7	177.3	0	0	0	109.3	I41 E42 R47 V71 G73 V75 V80 A82	I41-I44 HydrophobicContact CB-CD1 4.49Å; I41-I44 HydrophobicContact CG2-CD1 4.21Å; I41-I44 PolarHBondContact O-N 3.35Å; E42-I44 VanDerWaalsContact C-N 3.33Å; E42-I44 PolarHBondContact O-N 3.28Å; I44-R47 HydrophobicContact CB-CB 4.15Å; I44-R47 HydrophobicContact CG2-CB 3.84Å; I44-R47 WeakPolarHBondContact O-CB 3.14Å; I44-V71 HydrophobicContact CB-CG1 4.45Å; I44-V71 HydrophobicContact CD1-CB 4.22Å; I44-V71 HydrophobicContact CD1-CG1 3.8Å; I44-V71 HydrophobicContact CG2-CG1 4.49Å; I44-G73 VanDerWaalsContact CG2-CA 3.5Å; I44-V75 HydrophobicContact CB-CG2 4.45Å; I44-V75 HydrophobicContact CG1-CG2 3.86Å; I44-V80 HydrophobicContact CD1-CG2 4.1Å; I44-V80 HydrophobicContact CG1-CG2 4.29Å; I44-V80 HydrophobicContact CG2-CG2 4.12Å; I44-A82 HydrophobicContact CD1-CB 3.83Å
45	E	96.6	Very high	89	Confident	106 Å²	106	53.8 Å²	53.8	50%	0.495	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	147.5	179.6	-61.1	171.9	-135.1	0	0	110.9	D43 R47 G73 S74	D43-E45 PolarHBondContact O-N 3.19Å; E45-R47 PolarHBondContact O-N 2.89Å; E45-R47 VanDerWaalsContact O-N 3.09Å; E45-G73 WeakPolarHBondContact O-CA 3.44Å; E45-S74 WeakPolarHBondContact CB-O 3.5Å; E45-S74 PolarHBondContact N-O 2.86Å; E45-S74 PolarHBondContact O-N 3.04Å
46	E	95.4	Very high	90.4	Very high	178 Å²	178	53.6 Å²	53.6	83%	0.832	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.8	32.8	-179.9	-57.6	-177.8	163.4	0	0	113.4
47	R	95	Very high	91.8	Very high	103 Å²	103	55 Å²	55	39%	0.389	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	137.6	-167.1	67.4	-178.1	-178.6	172	-4.7	114.2	I41 E42 I44 E45 V49 V71 L72	I41-R47 PolarHBondContact O-NH1 3.26Å; E42-R47 VanDerWaalsContact CD-NH1 3.34Å; E42-R47 IonicContact OE1-NH1 3.54Å; E42-R47 IonicContact OE2-CZ 2.99Å; E42-R47 VanDerWaalsContact OE2-CZ 3.26Å; E42-R47 IonicContact OE2-NH1 2.78Å; E42-R47 PolarHBondContact OE2-NH1 3.31Å; E42-R47 IonicContact OE2-NH2 2.82Å; E42-R47 PolarHBondContact OE2-NH2 3.04Å; I44-R47 HydrophobicContact CB-CB 4.15Å; I44-R47 HydrophobicContact CG2-CB 3.84Å; I44-R47 WeakPolarHBondContact O-CB 3.14Å; E45-R47 PolarHBondContact O-N 2.89Å; E45-R47 VanDerWaalsContact O-N 3.09Å; R47-V49 HydrophobicContact CG-CG2 4.43Å; R47-V71 HydrophobicContact CB-CG1 3.91Å; R47-L72 CarbonylContact C-O 3.48Å; R47-L72 WeakPolarHBondContact CA-O 3.44Å
48	K	97.7	Very high	93	Very high	94 Å²	94	56 Å²	56	41%	0.409	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114.9	162.7	-169.3	67.7	174.3	-176.1	0	109.6	V22 I50 V71 L72	V22-K48 HydrophobicContact CG1-CD 4.44Å; V22-K48 VanDerWaalsContact CG1-CE 3.41Å; V22-K48 HydrophobicContact CG1-CG 4.19Å; V22-K48 VanDerWaalsContact O-CE 3.27Å; V22-K48 WeakPolarHBondContact O-CE 3.35Å; K48-I50 HydrophobicContact CG-CD1 4.43Å; K48-I50 HydrophobicContact CG-CG1 4.07Å; K48-V71 WeakPolarHBondContact O-CA 3.38Å; K48-L72 PolarHBondContact N-O 2.9Å; K48-L72 PolarHBondContact O-N 3.2Å
49	V	97.1	Very high	93.7	Very high	60 Å²	60	54.5 Å²	54.5	36%	0.364	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	121.9	175.2	-175.9	0	0	0	0	109.1	R47 N69 V71	R47-V49 HydrophobicContact CG-CG2 4.43Å; V49-N69 HydrophobicContact CG1-CB 3.77Å; V49-V71 HydrophobicContact CG1-CG2 4.34Å; V49-V71 HydrophobicContact CG2-CG1 4.25Å; V49-V71 HydrophobicContact CG2-CG2 4.26Å
50	I	97.4	Very high	93.8	Very high	3 Å²	3	58 Å²	58	2%	0.015	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	106.9	-179.1	-48.8	179.6	0	0	0	108.6	Y18 I19 V22 K48 I55 L70 L72	Y18-I50 HydrophobicContact CE1-CG2 3.94Å; I19-I50 HydrophobicContact CG1-CD1 4.47Å; I19-I50 HydrophobicContact CG2-CD1 4.11Å; V22-I50 HydrophobicContact CB-CD1 4.02Å; V22-I50 HydrophobicContact CG1-CD1 3.74Å; V22-I50 HydrophobicContact CG1-CG1 3.91Å; K48-I50 HydrophobicContact CG-CD1 4.43Å; K48-I50 HydrophobicContact CG-CG1 4.07Å; I50-I55 HydrophobicContact CB-CD1 4.42Å; I50-I55 HydrophobicContact CG2-CD1 3.91Å; I50-I55 HydrophobicContact CG2-CG1 3.58Å; I50-L70 HydrophobicContact CB-CB 4.49Å; I50-L70 PolarHBondContact N-O 3.29Å; I50-L70 PolarHBondContact O-N 3.16Å; I50-L72 HydrophobicContact CD1-CD1 3.7Å; I50-L72 HydrophobicContact CG1-CD1 4.24Å
51	P	96	Very high	93.5	Very high	44 Å²	44	59.5 Å²	59.5	29%	0.286	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	137.8	175.1	-25.9	35.2	0	0	0	112	I53 N54 N69	P51-I53 HydrophobicContact CB-CG2 4.02Å; P51-I53 PolarHBondContact O-N 3.3Å; P51-N54 WeakPolarHBondContact O-CB 3.32Å; P51-N54 PolarHBondContact O-N 3.13Å; P51-N69 WeakPolarHBondContact CA-OD1 3.22Å
52	Y	96.3	Very high	93	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.016	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-56.1	-36.8	-179.1	-67.6	-14.8	0	0	0	112.6	N54 I55 F58 T61 G68 N69 L70 M83 G85	Y52-N54 PolarHBondContact O-N 2.99Å; Y52-N54 VanDerWaalsContact O-N 3.11Å; Y52-I55 HydrophobicContact CD1-CD1 4.36Å; Y52-I55 PolarHBondContact O-N 3.28Å; Y52-F58 AromaticContact CD1-CD1 3.73Å; Y52-F58 HydrophobicContact CD1-CD1 3.73Å; Y52-F58 HydrophobicContact CD1-CE1 4.04Å; Y52-F58 HydrophobicContact CE1-CD1 4.26Å; Y52-F58 HydrophobicContact CE1-CE1 4.15Å; Y52-F58 HydrophobicContact CG-CD1 4Å; Y52-F58 WeakPolarHBondContact O-CB 3.49Å; Y52-T61 HydrophobicContact CD2-CG2 3.89Å; Y52-T61 HydrophobicContact CE2-CG2 3.64Å; Y52-G68 VanDerWaalsContact CD2-CA 3.47Å; Y52-G68 VanDerWaalsContact CG-O 3.25Å; Y52-G68 PolarHBondContact N-O 3.01Å; Y52-N69 WeakPolarHBondContact CE1-O 3.17Å; Y52-N69 PolarHBondContact OH-O 3.26Å; Y52-L70 HydrophobicContact CD1-CB 4.38Å; Y52-L70 HydrophobicContact CE1-CB 4Å; Y52-L70 HydrophobicContact CE1-CD1 4.37Å; Y52-L70 VanDerWaalsContact CE1-N 3.32Å; Y52-M83 WeakPolarHBondContact OH-CA 3.43Å; Y52-M83 WeakPolarHBondContact OH-CB 3.36Å; Y52-G85 WeakPolarHBondContact CE2-O 3.39Å; Y52-G85 PolarHBondContact OH-O 3.29Å
53	I	94.5	Very high	92.2	Very high	115 Å²	115	60.4 Å²	60.4	59%	0.59	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-60.1	-22.2	178.3	-166.3	165.9	0	0	0	113.9	P51	P51-I53 HydrophobicContact CB-CG2 4.02Å; P51-I53 PolarHBondContact O-N 3.3Å
54	N	96	Very high	91.1	Very high	85 Å²	85	62 Å²	62	46%	0.455	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-89.7	-15.9	178.9	-65.5	-18.4	0	0	0	112.6	Y18 P51 Y52	Y18-N54 HydrophobicContact CE1-CB 4.49Å; Y18-N54 VanDerWaalsContact CE1-O 3.31Å; Y18-N54 WeakPolarHBondContact CE1-O 3.39Å; Y18-N54 PolarHBondContact OH-O 3.46Å; P51-N54 WeakPolarHBondContact O-CB 3.32Å; P51-N54 PolarHBondContact O-N 3.13Å; Y52-N54 PolarHBondContact O-N 2.99Å; Y52-N54 VanDerWaalsContact O-N 3.11Å
55	I	97	Very high	89.8	Confident	6 Å²	6	65.2 Å²	65.2	3%	0.031	36%	0.362	C	S	.	.	S	Bend	trans	-87.6	123.9	-178.3	-51.8	171.1	0	0	0	108	A15 Y18 I19 I50 Y52 N57 F58 L70	A15-I55 HydrophobicContact CB-CG2 3.84Å; Y18-I55 HydrophobicContact CD1-CB 4.36Å; Y18-I55 HydrophobicContact CD1-CG1 4.22Å; Y18-I55 HydrophobicContact CD1-CG2 4.28Å; Y18-I55 HydrophobicContact CE1-CG1 4.16Å; I19-I55 HydrophobicContact CD1-CD1 4.29Å; I19-I55 HydrophobicContact CD1-CG2 4.06Å; I19-I55 HydrophobicContact CG1-CD1 4.29Å; I19-I55 HydrophobicContact CG1-CG1 4.45Å; I19-I55 HydrophobicContact CG1-CG2 4.14Å; I50-I55 HydrophobicContact CB-CD1 4.42Å; I50-I55 HydrophobicContact CG2-CD1 3.91Å; I50-I55 HydrophobicContact CG2-CG1 3.58Å; Y52-I55 HydrophobicContact CD1-CD1 4.36Å; Y52-I55 PolarHBondContact O-N 3.28Å; I55-N57 PolarHBondContact O-N 3.15Å; I55-F58 HydrophobicContact CB-CB 3.9Å; I55-F58 HydrophobicContact CB-CD1 4.48Å; I55-F58 HydrophobicContact CB-CD2 3.84Å; I55-F58 HydrophobicContact CB-CE2 4.49Å; I55-F58 HydrophobicContact CB-CG 3.82Å; I55-F58 HydrophobicContact CD1-CD1 3.99Å; I55-F58 HydrophobicContact CD1-CD2 4.42Å; I55-F58 HydrophobicContact CD1-CE1 4.05Å; I55-F58 HydrophobicContact CD1-CE2 4.45Å; I55-F58 HydrophobicContact CD1-CG 4.18Å; I55-F58 HydrophobicContact CD1-CZ 4.28Å; I55-F58 HydrophobicContact CG2-CB 4.27Å; I55-F58 HydrophobicContact CG2-CD2 3.29Å; I55-F58 HydrophobicContact CG2-CE2 3.67Å; I55-F58 HydrophobicContact CG2-CG 3.83Å; I55-F58 PolarHBondContact O-N 2.71Å; I55-L70 HydrophobicContact CD1-CB 3.94Å; I55-L70 HydrophobicContact CD1-CD2 4.09Å
56	P	95	Very high	88.7	Confident	38 Å²	38	61.7 Å²	61.7	25%	0.247	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	137.9	176.5	-26.4	34.5	0	0	0	111.3	M14 A15 Y18 F58	M14-P56 HydrophobicContact CG-CB 4.03Å; M14-P56 HydrophobicContact CG-CG 4.48Å; M14-P56 HydrophobicContact SD-CB 4.01Å; A15-P56 WeakPolarHBondContact CB-O 3.25Å; Y18-P56 HydrophobicContact CD2-CG 4.34Å; Y18-P56 VanDerWaalsContact CG-CD 3.47Å; Y18-P56 HydrophobicContact CG-CG 4.18Å; P56-F58 PolarHBondContact O-N 3.01Å
57	N	93.6	Very high	88.1	Confident	48 Å²	48	57.8 Å²	57.8	26%	0.257	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	-0.5	176.4	-55.4	-39	0	0	0	116.2	V5 N11 I55 L100	V5-N57 HydrophobicContact CG1-CB 3.75Å; V5-N57 HydrophobicContact CG2-CB 4.38Å; N11-N57 PolarHBondContact O-ND2 3.35Å; I55-N57 PolarHBondContact O-N 3.15Å; N57-L100 HydrophobicContact CB-CD1 3.91Å
58	F	94.4	Very high	88	Confident	20 Å²	20	53.2 Å²	53.2	9%	0.088	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-72.6	139.3	178.7	-105.2	-120.1	0	0	0	111.8	A15 I19 Y52 I55 P56 L70 L100 P101 V104	A15-F58 HydrophobicContact CB-CD2 4.07Å; A15-F58 HydrophobicContact CB-CE2 4.01Å; I19-F58 HydrophobicContact CD1-CE2 4.46Å; Y52-F58 AromaticContact CD1-CD1 3.73Å; Y52-F58 HydrophobicContact CD1-CD1 3.73Å; Y52-F58 HydrophobicContact CD1-CE1 4.04Å; Y52-F58 HydrophobicContact CE1-CD1 4.26Å; Y52-F58 HydrophobicContact CE1-CE1 4.15Å; Y52-F58 HydrophobicContact CG-CD1 4Å; Y52-F58 WeakPolarHBondContact O-CB 3.49Å; I55-F58 HydrophobicContact CB-CB 3.9Å; I55-F58 HydrophobicContact CB-CD1 4.48Å; I55-F58 HydrophobicContact CB-CD2 3.84Å; I55-F58 HydrophobicContact CB-CE2 4.49Å; I55-F58 HydrophobicContact CB-CG 3.82Å; I55-F58 HydrophobicContact CD1-CD1 3.99Å; I55-F58 HydrophobicContact CD1-CD2 4.42Å; I55-F58 HydrophobicContact CD1-CE1 4.05Å; I55-F58 HydrophobicContact CD1-CE2 4.45Å; I55-F58 HydrophobicContact CD1-CG 4.18Å; I55-F58 HydrophobicContact CD1-CZ 4.28Å; I55-F58 HydrophobicContact CG2-CB 4.27Å; I55-F58 HydrophobicContact CG2-CD2 3.29Å; I55-F58 HydrophobicContact CG2-CE2 3.67Å; I55-F58 HydrophobicContact CG2-CG 3.83Å; I55-F58 PolarHBondContact O-N 2.71Å; P56-F58 PolarHBondContact O-N 3.01Å; F58-L70 HydrophobicContact CZ-CD2 4.44Å; F58-L100 HydrophobicContact CD2-CD2 3.49Å; F58-L100 VanDerWaalsContact CD2-CD2 3.49Å; F58-L100 HydrophobicContact CE2-CD2 3.62Å; F58-L100 HydrophobicContact CG-CD2 4.31Å; F58-L100 HydrophobicContact CZ-CD2 4.49Å; F58-P101 HydrophobicContact CE1-CB 4.08Å; F58-P101 HydrophobicContact CE1-CG 4.12Å; F58-P101 HydrophobicContact CZ-CB 4.07Å; F58-P101 HydrophobicContact CZ-CG 4.35Å; F58-V104 HydrophobicContact CE2-CB 4.13Å; F58-V104 HydrophobicContact CE2-CG1 4.02Å; F58-V104 HydrophobicContact CE2-CG2 3.93Å; F58-V104 HydrophobicContact CZ-CB 4.38Å; F58-V104 HydrophobicContact CZ-CG1 4.25Å
59	P	91.2	Very high	87.8	Confident	8 Å²	8	49.7 Å²	49.7	5%	0.052	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-69.4	151.3	171.6	31.5	-36.5	0	0	0	110.9	L87 Y93 E97 P101	P59-L87 HydrophobicContact CB-CD1 4.29Å; P59-L87 HydrophobicContact CB-CD2 3.87Å; P59-L87 HydrophobicContact CG-CD1 3.32Å; P59-L87 HydrophobicContact CG-CD2 3.75Å; P59-L87 HydrophobicContact CG-CG 4.16Å; P59-Y93 HydrophobicContact CB-CD1 4.43Å; P59-Y93 HydrophobicContact CB-CE1 4.37Å; P59-E97 HydrophobicContact CB-CB 3.97Å; P59-E97 HydrophobicContact CB-CG 4.12Å; P59-E97 HydrophobicContact CG-CB 4.31Å; P59-P101 HydrophobicContact CG-CG 4.36Å
60	K	86.4	Confident	87.8	Confident	134 Å²	134	47 Å²	47	58%	0.583	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-82	156.5	170.1	-64.9	-178.1	-179.8	-179.1	0	109.4	L87 Y93	K60-L87 WeakPolarHBondContact O-CD2 3.36Å; K60-Y93 WeakPolarHBondContact O-CE1 3.16Å; K60-Y93 PolarHBondContact O-OH 3.3Å
61	T	80.7	Confident	87.8	Confident	31 Å²	31	46.9 Å²	46.9	19%	0.19	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-90.3	147.1	167.9	46.9	0	0	0	0	110.7	Y52 H66 G68 G85 L87 Y93	Y52-T61 HydrophobicContact CD2-CG2 3.89Å; Y52-T61 HydrophobicContact CE2-CG2 3.64Å; T61-H66 WeakPolarHBondContact CB-O 3.46Å; T61-H66 HydrophobicContact CG2-CB 4.15Å; T61-H66 PolarHBondContact OG1-O 3.39Å; T61-G68 WeakPolarHBondContact OG1-CA 3.35Å; T61-G85 WeakPolarHBondContact CG2-O 3.41Å; T61-L87 HydrophobicContact CG2-CD2 4.26Å; T61-Y93 WeakPolarHBondContact CA-OH 3.42Å
62	T	78.5	Confident	87.9	Confident	86 Å²	86	44.8 Å²	44.8	53%	0.528	27%	0.273	S	S	.	.			trans	-120.3	-23.1	-179.2	45.7	0	0	0	0	113	E91 Y93	T62-E91 VanDerWaalsContact CB-OE2 3.24Å; T62-E91 WeakPolarHBondContact CB-OE2 3.29Å; T62-E91 PolarHBondContact OG1-OE2 3.26Å; T62-Y93 WeakPolarHBondContact CB-OH 3.14Å; T62-Y93 WeakPolarHBondContact CG2-OH 3.41Å; T62-Y93 PolarHBondContact N-OH 3.24Å; T62-Y93 PolarHBondContact OG1-OH 2.75Å
63	V	72.8	Confident	88	Confident	33 Å²	33	44.6 Å²	44.6	20%	0.2	27%	0.273	C	S	.	.	S	Bend	trans	-68.7	132	-179.5	-176.9	0	0	0	0	110.7	G65 H66 E91	V63-G65 PolarHBondContact O-N 2.82Å; V63-H66 HydrophobicContact CB-CB 4.13Å; V63-H66 WeakPolarHBondContact O-CB 3.33Å; V63-H66 PolarHBondContact O-N 2.78Å; V63-E91 HydrophobicContact CG2-CG 3.62Å
64	A	67	Low	88.1	Confident	98 Å²	98	40.2 Å²	40.2	81%	0.81	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	134	173.7	0	0	0	0	0	111.1	H66	A64-H66 VanDerWaalsContact C-N 3.27Å; A64-H66 PolarHBondContact O-N 3.21Å
65	G	67.7	Low	88.1	Confident	75 Å²	75	36.2 Å²	36.2	77%	0.773	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	85	-13.6	-174.9	0	0	0	0	0	114.8	V63 V67	V63-G65 PolarHBondContact O-N 2.82Å; G65-V67 PolarHBondContact O-N 2.91Å
66	H	74	Confident	87.9	Confident	32 Å²	32	37.4 Å²	37.4	15%	0.148	25%	0.245	C	C	.	.			trans	-85.2	90.1	173.3	-72.9	-134.4	0	0	0	109.8	T61 V63 A64 G68 G85 R86 H88	T61-H66 WeakPolarHBondContact CB-O 3.46Å; T61-H66 HydrophobicContact CG2-CB 4.15Å; T61-H66 PolarHBondContact OG1-O 3.39Å; V63-H66 HydrophobicContact CB-CB 4.13Å; V63-H66 WeakPolarHBondContact O-CB 3.33Å; V63-H66 PolarHBondContact O-N 2.78Å; A64-H66 VanDerWaalsContact C-N 3.27Å; A64-H66 PolarHBondContact O-N 3.21Å; H66-G68 PolarHBondContact O-N 3.17Å; H66-G68 VanDerWaalsContact O-N 3.15Å; H66-G85 WeakPolarHBondContact ND1-CA 3.22Å; H66-R86 PolarHBondContact CE1-N 3.48Å; H66-R86 PolarHBondContact ND1-N 3.43Å; H66-R86 PolarHBondContact ND1-O 3.03Å; H66-H88 AromaticContact CE1-CE1 3.48Å; H66-H88 PolarHBondContact CE1-CE1 2.83Å; H66-H88 VanDerWaalsContact CE1-CE1 3.48Å
67	V	82.9	Confident	87.8	Confident	97 Å²	97	38.8 Å²	38.8	59%	0.588	27%	0.266	S	S	*	.			trans	-56.4	-33	-174.4	-170.9	0	0	0	0	112.8	G65 N69 Q84	G65-V67 PolarHBondContact O-N 2.91Å; V67-N69 WeakPolarHBondContact CG1-ND2 3.47Å; V67-Q84 HydrophobicContact CB-CG 4.48Å
68	G	91.2	Very high	88	Confident	6 Å²	6	38.1 Å²	38.1	6%	0.062	26%	0.26	C	S	.	.			trans	82.1	53.2	176.1	0	0	0	0	0	112.7	Y52 T61 H66 Q84	Y52-G68 VanDerWaalsContact CD2-CA 3.47Å; Y52-G68 VanDerWaalsContact CG-O 3.25Å; Y52-G68 PolarHBondContact N-O 3.01Å; T61-G68 WeakPolarHBondContact OG1-CA 3.35Å; H66-G68 PolarHBondContact O-N 3.17Å; H66-G68 VanDerWaalsContact O-N 3.15Å; G68-Q84 WeakPolarHBondContact CA-O 3.42Å; G68-Q84 PolarHBondContact N-O 3.11Å
69	N	94.5	Very high	88.2	Confident	21 Å²	21	41.8 Å²	41.8	11%	0.112	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	148.8	176.2	-59.4	-48.9	0	0	0	112.3	V49 P51 Y52 V67 V71 Q84	V49-N69 HydrophobicContact CG1-CB 3.77Å; P51-N69 WeakPolarHBondContact CA-OD1 3.22Å; Y52-N69 WeakPolarHBondContact CE1-O 3.17Å; Y52-N69 PolarHBondContact OH-O 3.26Å; V67-N69 WeakPolarHBondContact CG1-ND2 3.47Å; N69-V71 HydrophobicContact CB-CG2 4.19Å; N69-Q84 HydrophobicContact CB-CB 4.17Å; N69-Q84 PolarHBondContact N-O 2.82Å; N69-Q84 PolarHBondContact ND2-OE1 3.15Å; N69-Q84 PolarHBondContact O-N 3.45Å
70	L	96.7	Very high	88.5	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.6	162.2	-157.9	71.3	0	0	0	107.8	I19 I50 Y52 I55 F58 L72 V81 A82 M83	I19-L70 HydrophobicContact CD1-CD2 3.56Å; I19-L70 HydrophobicContact CG1-CD2 4.18Å; I50-L70 HydrophobicContact CB-CB 4.49Å; I50-L70 PolarHBondContact N-O 3.29Å; I50-L70 PolarHBondContact O-N 3.16Å; Y52-L70 HydrophobicContact CD1-CB 4.38Å; Y52-L70 HydrophobicContact CE1-CB 4Å; Y52-L70 HydrophobicContact CE1-CD1 4.37Å; Y52-L70 VanDerWaalsContact CE1-N 3.32Å; I55-L70 HydrophobicContact CD1-CB 3.94Å; I55-L70 HydrophobicContact CD1-CD2 4.09Å; F58-L70 HydrophobicContact CZ-CD2 4.44Å; L70-L72 HydrophobicContact CD2-CD1 4.22Å; L70-L72 HydrophobicContact CG-CD1 4.23Å; L70-V81 HydrophobicContact CD1-CG2 3.65Å; L70-V81 HydrophobicContact CD2-CG2 3.91Å; L70-V81 HydrophobicContact CG-CG2 3.57Å; L70-A82 WeakPolarHBondContact CA-O 3.4Å; L70-M83 HydrophobicContact CD1-CG 3.82Å
71	V	97.3	Very high	89	Confident	0 Å²	0	35 Å²	35	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.6	-175.9	-173	0	0	0	0	109	I41 I44 R47 K48 V49 N69 V81 A82 Q84	I41-V71 HydrophobicContact CG2-CB 3.93Å; I41-V71 HydrophobicContact CG2-CG1 4.06Å; I41-V71 HydrophobicContact CG2-CG2 3.64Å; I44-V71 HydrophobicContact CB-CG1 4.45Å; I44-V71 HydrophobicContact CD1-CB 4.22Å; I44-V71 HydrophobicContact CD1-CG1 3.8Å; I44-V71 HydrophobicContact CG2-CG1 4.49Å; R47-V71 HydrophobicContact CB-CG1 3.91Å; K48-V71 WeakPolarHBondContact O-CA 3.38Å; V49-V71 HydrophobicContact CG1-CG2 4.34Å; V49-V71 HydrophobicContact CG2-CG1 4.25Å; V49-V71 HydrophobicContact CG2-CG2 4.26Å; N69-V71 HydrophobicContact CB-CG2 4.19Å; V71-V81 CarbonylContact O-C 3.59Å; V71-V81 WeakPolarHBondContact O-CA 3.34Å; V71-A82 HydrophobicContact CB-CB 4.46Å; V71-A82 PolarHBondContact N-O 3.49Å; V71-A82 PolarHBondContact O-N 3.2Å; V71-Q84 HydrophobicContact CG2-CB 4.31Å
72	L	98.4	Very high	89.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.9	178.5	-61.6	87.4	0	0	0	109.6	I19 V25 R47 K48 I50 L70 V80 V81	I19-L72 HydrophobicContact CG2-CD1 4.09Å; I19-L72 HydrophobicContact CG2-CD2 3.7Å; V25-L72 HydrophobicContact CB-CB 4.02Å; V25-L72 HydrophobicContact CB-CD2 4.36Å; V25-L72 HydrophobicContact CG1-CB 4.21Å; V25-L72 HydrophobicContact CG2-CB 4.38Å; R47-L72 CarbonylContact C-O 3.48Å; R47-L72 WeakPolarHBondContact CA-O 3.44Å; K48-L72 PolarHBondContact N-O 2.9Å; K48-L72 PolarHBondContact O-N 3.2Å; I50-L72 HydrophobicContact CD1-CD1 3.7Å; I50-L72 HydrophobicContact CG1-CD1 4.24Å; L70-L72 HydrophobicContact CD2-CD1 4.22Å; L70-L72 HydrophobicContact CG-CD1 4.23Å; L72-V80 WeakPolarHBondContact CA-O 3.49Å; L72-V81 HydrophobicContact CD1-CG2 4.37Å; L72-V81 HydrophobicContact CD2-CG2 4.49Å; L72-V81 HydrophobicContact CG-CB 4.18Å; L72-V81 HydrophobicContact CG-CG2 3.93Å
73	G	98	Very high	90.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.6	-147.3	176.4	0	0	0	0	0	111.5	I44 E45 K79 V80	I44-G73 VanDerWaalsContact CG2-CA 3.5Å; E45-G73 WeakPolarHBondContact O-CA 3.44Å; G73-K79 WeakPolarHBondContact O-CA 3.32Å; G73-V80 PolarHBondContact N-O 2.87Å; G73-V80 VanDerWaalsContact N-O 3.12Å; G73-V80 PolarHBondContact O-N 2.56Å
74	S	97.3	Very high	91.6	Very high	23 Å²	23	29.7 Å²	29.7	16%	0.161	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.4	-178.4	-62.9	0	0	0	0	112.6	E45 R78	E45-S74 WeakPolarHBondContact CB-O 3.5Å; E45-S74 PolarHBondContact N-O 2.86Å; E45-S74 PolarHBondContact O-N 3.04Å; S74-R78 CarbonylContact C-O 3.34Å; S74-R78 VanDerWaalsContact CA-O 3.22Å; S74-R78 WeakPolarHBondContact CA-O 3.37Å
75	V	96.2	Very high	92.6	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	118.9	169.5	175.2	0	0	0	0	107.6	I44 G77 R78 V80 K278 I281	I44-V75 HydrophobicContact CB-CG2 4.45Å; I44-V75 HydrophobicContact CG1-CG2 3.86Å; V75-G77 VanDerWaalsContact C-N 3.25Å; V75-G77 PolarHBondContact O-N 2.78Å; V75-R78 PolarHBondContact N-O 2.84Å; V75-R78 WeakPolarHBondContact O-CB 3.38Å; V75-R78 PolarHBondContact O-N 3.12Å; V75-V80 HydrophobicContact CB-CG1 4.23Å; V75-V80 HydrophobicContact CG2-CG1 4.34Å; V75-V80 HydrophobicContact CG2-CG2 3.89Å; V75-K278 HydrophobicContact CG1-CB 4.44Å; V75-K278 HydrophobicContact CG1-CG 3.92Å; V75-I281 HydrophobicContact CB-CD1 4.4Å; V75-I281 HydrophobicContact CB-CG2 4.07Å; V75-I281 HydrophobicContact CG1-CB 4.41Å; V75-I281 HydrophobicContact CG1-CD1 4.02Å; V75-I281 HydrophobicContact CG1-CG2 4.06Å; V75-I281 WeakPolarHBondContact O-CG2 3.49Å
76	G	92	Very high	93.8	Very high	31 Å²	31	22 Å²	22	32%	0.32	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	36	-179.7	0	0	0	0	0	113.2	R78	G76-R78 PolarHBondContact O-N 2.87Å
77	G	93.6	Very high	94.7	Very high	67 Å²	67	20.7 Å²	20.7	69%	0.691	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	4.7	-175.6	0	0	0	0	0	115.2	V75	V75-G77 VanDerWaalsContact C-N 3.25Å; V75-G77 PolarHBondContact O-N 2.78Å
78	R	97	Very high	95.3	Very high	33 Å²	33	17 Å²	17	13%	0.125	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.3	-179.7	-50	-58.7	-67.4	-87	5.1	111.1	I29 S74 V75 G76 V80 I281 L284 P285	I29-R78 HydrophobicContact CD1-CB 3.77Å; I29-R78 HydrophobicContact CD1-CG 4.37Å; S74-R78 CarbonylContact C-O 3.34Å; S74-R78 VanDerWaalsContact CA-O 3.22Å; S74-R78 WeakPolarHBondContact CA-O 3.37Å; V75-R78 PolarHBondContact N-O 2.84Å; V75-R78 WeakPolarHBondContact O-CB 3.38Å; V75-R78 PolarHBondContact O-N 3.12Å; G76-R78 PolarHBondContact O-N 2.87Å; R78-V80 PolarHBondContact O-N 2.81Å; R78-I281 HydrophobicContact CB-CG2 3.74Å; R78-I281 HydrophobicContact CG-CG2 3.9Å; R78-I281 WeakPolarHBondContact CG-O 3.44Å; R78-I281 PolarHBondContact NH1-O 2.98Å; R78-L284 PolarHBondContact NH1-O 3.41Å; R78-P285 PolarHBondContact NH2-O 2.87Å
79	K	97.9	Very high	95.5	Very high	97 Å²	97	18.9 Å²	18.9	42%	0.422	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.1	178.9	-62.8	175.8	-174.5	172.3	0	110.3	V25 L26 D28 I29 G73	V25-K79 HydrophobicContact CG1-CB 4.03Å; V25-K79 HydrophobicContact CG1-CG 4.38Å; L26-K79 WeakPolarHBondContact O-CB 3.41Å; L26-K79 WeakPolarHBondContact O-CD 3.28Å; D28-K79 PolarHBondContact N-O 3.47Å; D28-K79 VanDerWaalsContact N-O 3.09Å; I29-K79 PolarHBondContact N-O 2.74Å; G73-K79 WeakPolarHBondContact O-CA 3.32Å
80	V	98.1	Very high	95.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	155.1	-175.8	-57.5	0	0	0	0	111.8	I29 I31 I44 L72 G73 V75 R78 I281	I29-V80 HydrophobicContact CB-CG1 4.15Å; I29-V80 HydrophobicContact CD1-CG1 4.4Å; I29-V80 HydrophobicContact CG2-CG1 4.43Å; I29-V80 CarbonylContact O-C 3.37Å; I29-V80 VanDerWaalsContact O-CA 3.28Å; I29-V80 WeakPolarHBondContact O-CA 3.41Å; I31-V80 HydrophobicContact CD1-CB 4.09Å; I31-V80 HydrophobicContact CD1-CG1 4.12Å; I31-V80 HydrophobicContact CD1-CG2 4.47Å; I44-V80 HydrophobicContact CD1-CG2 4.1Å; I44-V80 HydrophobicContact CG1-CG2 4.29Å; I44-V80 HydrophobicContact CG2-CG2 4.12Å; L72-V80 WeakPolarHBondContact CA-O 3.49Å; G73-V80 PolarHBondContact N-O 2.87Å; G73-V80 VanDerWaalsContact N-O 3.12Å; G73-V80 PolarHBondContact O-N 2.56Å; V75-V80 HydrophobicContact CB-CG1 4.23Å; V75-V80 HydrophobicContact CG2-CG1 4.34Å; V75-V80 HydrophobicContact CG2-CG2 3.89Å; R78-V80 PolarHBondContact O-N 2.81Å; V80-I281 HydrophobicContact CG1-CG2 4.23Å
81	V	98.2	Very high	95.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	121.8	162.1	57.6	0	0	0	0	109.5	P27 I29 G30 I31 L70 V71 L72 M105 V110	P27-V81 HydrophobicContact CB-CB 3.85Å; P27-V81 HydrophobicContact CB-CG1 3.7Å; P27-V81 HydrophobicContact CG-CB 3.82Å; P27-V81 HydrophobicContact CG-CG1 3.58Å; I29-V81 PolarHBondContact O-N 3.09Å; G30-V81 CarbonylContact C-O 3.53Å; G30-V81 WeakPolarHBondContact CA-O 3.14Å; I31-V81 PolarHBondContact N-O 3.37Å; L70-V81 HydrophobicContact CD1-CG2 3.65Å; L70-V81 HydrophobicContact CD2-CG2 3.91Å; L70-V81 HydrophobicContact CG-CG2 3.57Å; V71-V81 CarbonylContact O-C 3.59Å; V71-V81 WeakPolarHBondContact O-CA 3.34Å; L72-V81 HydrophobicContact CD1-CG2 4.37Å; L72-V81 HydrophobicContact CD2-CG2 4.49Å; L72-V81 HydrophobicContact CG-CB 4.18Å; L72-V81 HydrophobicContact CG-CG2 3.93Å; V81-M105 HydrophobicContact CG1-CE 4.25Å; V81-M105 HydrophobicContact CG1-CG 4Å; V81-M105 HydrophobicContact CG1-SD 4.45Å; V81-V110 HydrophobicContact CG1-CG2 3.54Å
82	A	97.3	Very high	95.3	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.3	-178.8	0	0	0	0	0	111.7	I31 I41 I44 L70 V71	I31-A82 HydrophobicContact CB-CB 4.08Å; I31-A82 CarbonylContact O-C 3.59Å; I31-A82 WeakPolarHBondContact O-CA 3.37Å; I41-A82 HydrophobicContact CD1-CB 4.28Å; I41-A82 HydrophobicContact CG1-CB 4.13Å; I44-A82 HydrophobicContact CD1-CB 3.83Å; L70-A82 WeakPolarHBondContact CA-O 3.4Å; V71-A82 HydrophobicContact CB-CB 4.46Å; V71-A82 PolarHBondContact N-O 3.49Å; V71-A82 PolarHBondContact O-N 3.2Å
83	M	96	Very high	95.2	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.03	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	104.8	167.2	-73	-178.6	72.7	0	0	109.7	I31 I32 Y52 L70 G85 L87 P101 M105	I31-M83 PolarHBondContact O-N 2.96Å; I32-M83 HydrophobicContact CD1-SD 4.24Å; I32-M83 HydrophobicContact CG1-CB 4.37Å; I32-M83 HydrophobicContact CG1-SD 4.02Å; Y52-M83 WeakPolarHBondContact OH-CA 3.43Å; Y52-M83 WeakPolarHBondContact OH-CB 3.36Å; L70-M83 HydrophobicContact CD1-CG 3.82Å; M83-G85 PolarHBondContact O-N 3.48Å; M83-L87 HydrophobicContact CE-CD1 4.21Å; M83-P101 HydrophobicContact CE-CB 3.63Å; M83-P101 HydrophobicContact CE-CG 3.96Å; M83-P101 HydrophobicContact SD-CB 3.74Å; M83-M105 HydrophobicContact CG-CE 3.51Å; M83-M105 HydrophobicContact SD-CE 3.76Å
84	Q	92.2	Very high	95.1	Very high	32 Å²	32	31.4 Å²	31.4	15%	0.15	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	83.7	171	-169.1	177.8	48.6	0	0	109.3	I41 E42 V67 G68 N69 V71	I41-Q84 HydrophobicContact CD1-CB 3.57Å; I41-Q84 HydrophobicContact CD1-CG 3.77Å; I41-Q84 HydrophobicContact CG2-CB 4.36Å; I41-Q84 HydrophobicContact CG2-CG 4.48Å; E42-Q84 PolarHBondContact OE1-NE2 3.21Å; V67-Q84 HydrophobicContact CB-CG 4.48Å; G68-Q84 WeakPolarHBondContact CA-O 3.42Å; G68-Q84 PolarHBondContact N-O 3.11Å; N69-Q84 HydrophobicContact CB-CB 4.17Å; N69-Q84 PolarHBondContact N-O 2.82Å; N69-Q84 PolarHBondContact ND2-OE1 3.15Å; N69-Q84 PolarHBondContact O-N 3.45Å; V71-Q84 HydrophobicContact CG2-CB 4.31Å
85	G	88.5	Confident	95.1	Very high	8 Å²	8	31.8 Å²	31.8	8%	0.082	20%	0.195	C	C	.	.	S	Bend	trans	121.9	92.4	-175.8	0	0	0	0	0	111	Y52 T61 H66 M83	Y52-G85 WeakPolarHBondContact CE2-O 3.39Å; Y52-G85 PolarHBondContact OH-O 3.29Å; T61-G85 WeakPolarHBondContact CG2-O 3.41Å; H66-G85 WeakPolarHBondContact ND1-CA 3.22Å; M83-G85 PolarHBondContact O-N 3.48Å
86	R	92.3	Very high	95.2	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.011	20%	0.204	C	C	.	.			trans	-69.3	149.7	175.4	-166	-179.8	-169.9	142.7	23.7	112.6	I32 H66 T116 S222 T223 E226	I32-R86 HydrophobicContact CG2-CB 4.32Å; I32-R86 HydrophobicContact CG2-CG 3.91Å; H66-R86 PolarHBondContact CE1-N 3.48Å; H66-R86 PolarHBondContact ND1-N 3.43Å; H66-R86 PolarHBondContact ND1-O 3.03Å; R86-T116 PolarHBondContact NH1-O 2.85Å; R86-S222 PolarHBondContact NH1-OG 3.17Å; R86-S222 VanDerWaalsContact NH1-OG 3.17Å; R86-T223 PolarHBondContact NH1-OG1 2.99Å; R86-T223 PolarHBondContact NH2-OG1 3.21Å; R86-E226 IonicContact CZ-OE1 3.34Å; R86-E226 IonicContact CZ-OE2 3.06Å; R86-E226 IonicContact NE-OE1 3.98Å; R86-E226 PolarHBondContact NE-OE1 3.33Å; R86-E226 IonicContact NE-OE2 3.26Å; R86-E226 IonicContact NH2-OE1 3.91Å; R86-E226 PolarHBondContact NH2-OE1 2.61Å; R86-E226 IonicContact NH2-OE2 3.95Å; R86-E226 PolarHBondContact NH2-OE2 3.18Å
87	L	93.5	Very high	95.4	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.031	20%	0.203	C	C	.	.			trans	-97.9	129.5	171.4	-56.8	151.2	0	0	0	108.3	P59 K60 T61 M83 Y93 I98 P101	P59-L87 HydrophobicContact CB-CD1 4.29Å; P59-L87 HydrophobicContact CB-CD2 3.87Å; P59-L87 HydrophobicContact CG-CD1 3.32Å; P59-L87 HydrophobicContact CG-CD2 3.75Å; P59-L87 HydrophobicContact CG-CG 4.16Å; K60-L87 WeakPolarHBondContact O-CD2 3.36Å; T61-L87 HydrophobicContact CG2-CD2 4.26Å; M83-L87 HydrophobicContact CE-CD1 4.21Å; L87-Y93 HydrophobicContact CB-CD2 3.91Å; L87-Y93 HydrophobicContact CB-CE2 4.15Å; L87-Y93 HydrophobicContact CB-CG 4.4Å; L87-Y93 HydrophobicContact CD2-CD1 4.21Å; L87-Y93 HydrophobicContact CD2-CD2 4.18Å; L87-Y93 HydrophobicContact CD2-CE1 3.81Å; L87-Y93 HydrophobicContact CD2-CE2 3.84Å; L87-Y93 HydrophobicContact CD2-CG 4.4Å; L87-I98 HydrophobicContact CB-CD1 3.61Å; L87-I98 WeakPolarHBondContact O-CD1 3.18Å; L87-P101 HydrophobicContact CD1-CG 3.8Å
88	H	94.7	Very high	95.6	Very high	20 Å²	20	32.3 Å²	32.3	9%	0.093	17%	0.171	C	C	.	.			trans	-117.5	135.5	-176.1	-64.7	104.3	0	0	0	111.6	H66 Y90 E91 Y93	H66-H88 AromaticContact CE1-CE1 3.48Å; H66-H88 PolarHBondContact CE1-CE1 2.83Å; H66-H88 VanDerWaalsContact CE1-CE1 3.48Å; H88-Y90 HydrophobicContact CB-CD1 3.79Å; H88-Y90 HydrophobicContact CB-CD2 4.06Å; H88-Y90 HydrophobicContact CB-CE1 3.4Å; H88-Y90 VanDerWaalsContact CB-CE1 3.4Å; H88-Y90 HydrophobicContact CB-CE2 3.68Å; H88-Y90 HydrophobicContact CB-CG 4.11Å; H88-Y90 AromaticContact CD2-CE1 3.56Å; H88-Y90 AromaticContact CD2-CZ 3.71Å; H88-Y90 PolarHBondContact CD2-OH 3.42Å; H88-Y90 PolarHBondContact CE1-OH 3.35Å; H88-Y90 VanDerWaalsContact CE1-OH 3.26Å; H88-Y90 AromaticContact CG-CE1 3.57Å; H88-Y90 AromaticContact CG-CZ 3.36Å; H88-Y90 AromaticContact ND1-CZ 3.73Å; H88-Y90 PolarHBondContact ND1-OH 3.01Å; H88-Y90 VanDerWaalsContact ND1-OH 3.13Å; H88-Y90 PolarHBondContact NE2-OH 3Å; H88-Y90 PolarHBondContact O-N 3.14Å; H88-E91 HydrophobicContact CB-CG 4.21Å; H88-E91 VanDerWaalsContact O-CB 3.31Å; H88-E91 WeakPolarHBondContact O-CB 3.32Å; H88-E91 PolarHBondContact O-N 3.04Å; H88-Y93 VanDerWaalsContact O-CD2 3.29Å; H88-Y93 WeakPolarHBondContact O-CD2 3.42Å
89	M	96.5	Very high	95.6	Very high	44 Å²	44	30.8 Å²	30.8	22%	0.217	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-61.4	-29.8	-178.4	-64.1	-166	79	0	0	113.4	E91 G92 N95 I98 F196 P225	M89-E91 PolarHBondContact O-N 3.46Å; M89-G92 PolarHBondContact O-N 2.84Å; M89-N95 WeakPolarHBondContact CE-OD1 3.24Å; M89-I98 HydrophobicContact CG-CD1 4.31Å; M89-I98 HydrophobicContact CG-CG1 4Å; M89-F196 HydrophobicContact SD-CE1 4.48Å; M89-F196 HydrophobicContact SD-CZ 4.31Å; M89-P225 HydrophobicContact CG-CG 4.2Å; M89-P225 HydrophobicContact SD-CB 4.18Å; M89-P225 HydrophobicContact SD-CG 3.61Å
90	Y	95.4	Very high	95.6	Very high	72 Å²	72	26.2 Å²	26.2	28%	0.282	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-65.4	-14.9	175.3	59.2	-110.2	0	0	0	114.1	H88 G92 G198 P200 M221	H88-Y90 HydrophobicContact CB-CD1 3.79Å; H88-Y90 HydrophobicContact CB-CD2 4.06Å; H88-Y90 HydrophobicContact CB-CE1 3.4Å; H88-Y90 VanDerWaalsContact CB-CE1 3.4Å; H88-Y90 HydrophobicContact CB-CE2 3.68Å; H88-Y90 HydrophobicContact CB-CG 4.11Å; H88-Y90 AromaticContact CD2-CE1 3.56Å; H88-Y90 AromaticContact CD2-CZ 3.71Å; H88-Y90 PolarHBondContact CD2-OH 3.42Å; H88-Y90 PolarHBondContact CE1-OH 3.35Å; H88-Y90 VanDerWaalsContact CE1-OH 3.26Å; H88-Y90 AromaticContact CG-CE1 3.57Å; H88-Y90 AromaticContact CG-CZ 3.36Å; H88-Y90 AromaticContact ND1-CZ 3.73Å; H88-Y90 PolarHBondContact ND1-OH 3.01Å; H88-Y90 VanDerWaalsContact ND1-OH 3.13Å; H88-Y90 PolarHBondContact NE2-OH 3Å; H88-Y90 PolarHBondContact O-N 3.14Å; Y90-G92 PolarHBondContact O-N 3.03Å; Y90-G198 WeakPolarHBondContact CB-O 3.31Å; Y90-P200 HydrophobicContact CD2-CB 4.38Å; Y90-P200 HydrophobicContact CG-CB 4.32Å; Y90-M221 HydrophobicContact CD1-CB 3.83Å; Y90-M221 HydrophobicContact CE1-CB 3.85Å
91	E	94.2	Very high	95.6	Very high	79 Å²	79	26.4 Å²	26.4	37%	0.369	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-80.1	-4.1	171.6	-65.8	-72.7	133.7	0	0	112.4	T62 V63 H88 M89 Y93	T62-E91 VanDerWaalsContact CB-OE2 3.24Å; T62-E91 WeakPolarHBondContact CB-OE2 3.29Å; T62-E91 PolarHBondContact OG1-OE2 3.26Å; V63-E91 HydrophobicContact CG2-CG 3.62Å; H88-E91 HydrophobicContact CB-CG 4.21Å; H88-E91 VanDerWaalsContact O-CB 3.31Å; H88-E91 WeakPolarHBondContact O-CB 3.32Å; H88-E91 PolarHBondContact O-N 3.04Å; M89-E91 PolarHBondContact O-N 3.46Å; E91-Y93 HydrophobicContact CB-CD2 3.83Å; E91-Y93 HydrophobicContact CB-CE2 3.58Å; E91-Y93 HydrophobicContact CG-CE2 4.14Å
92	G	94.6	Very high	95.7	Very high	64 Å²	64	26.4 Å²	26.4	66%	0.66	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.9	9.5	-178.6	0	0	0	0	0	114.8	M89 Y90 S94	M89-G92 PolarHBondContact O-N 2.84Å; Y90-G92 PolarHBondContact O-N 3.03Å; G92-S94 PolarHBondContact O-N 3.45Å
93	Y	95.2	Very high	95.7	Very high	24 Å²	24	26.9 Å²	26.9	9%	0.094	15%	0.149	C	C	.	.			trans	-61.2	135.4	172.2	-66.4	-65.8	0	0	0	110.9	P59 K60 T61 T62 L87 H88 E91 E97	P59-Y93 HydrophobicContact CB-CD1 4.43Å; P59-Y93 HydrophobicContact CB-CE1 4.37Å; K60-Y93 WeakPolarHBondContact O-CE1 3.16Å; K60-Y93 PolarHBondContact O-OH 3.3Å; T61-Y93 WeakPolarHBondContact CA-OH 3.42Å; T62-Y93 WeakPolarHBondContact CB-OH 3.14Å; T62-Y93 WeakPolarHBondContact CG2-OH 3.41Å; T62-Y93 PolarHBondContact N-OH 3.24Å; T62-Y93 PolarHBondContact OG1-OH 2.75Å; L87-Y93 HydrophobicContact CB-CD2 3.91Å; L87-Y93 HydrophobicContact CB-CE2 4.15Å; L87-Y93 HydrophobicContact CB-CG 4.4Å; L87-Y93 HydrophobicContact CD2-CD1 4.21Å; L87-Y93 HydrophobicContact CD2-CD2 4.18Å; L87-Y93 HydrophobicContact CD2-CE1 3.81Å; L87-Y93 HydrophobicContact CD2-CE2 3.84Å; L87-Y93 HydrophobicContact CD2-CG 4.4Å; H88-Y93 VanDerWaalsContact O-CD2 3.29Å; H88-Y93 WeakPolarHBondContact O-CD2 3.42Å; E91-Y93 HydrophobicContact CB-CD2 3.83Å; E91-Y93 HydrophobicContact CB-CE2 3.58Å; E91-Y93 HydrophobicContact CG-CE2 4.14Å; Y93-E97 HydrophobicContact CD1-CB 4.22Å
94	S	96	Very high	95.9	Very high	49 Å²	49	26.6 Å²	26.6	34%	0.343	15%	0.148	S	C	.	.			trans	-69.1	161.3	173.8	66.9	0	0	0	0	112	G92 Q96 E97 I98	G92-S94 PolarHBondContact O-N 3.45Å; S94-Q96 PolarHBondContact O-N 2.98Å; S94-Q96 VanDerWaalsContact O-N 3.14Å; S94-E97 WeakPolarHBondContact CB-OE2 3.25Å; S94-E97 PolarHBondContact N-OE2 2.71Å; S94-E97 PolarHBondContact O-N 3.47Å; S94-E97 VanDerWaalsContact O-N 3.13Å; S94-E97 WeakPolarHBondContact OG-CG 3.5Å; S94-E97 PolarHBondContact OG-N 3.4Å; S94-E97 PolarHBondContact OG-OE2 3.06Å; S94-I98 PolarHBondContact O-N 3.22Å; S94-I98 VanDerWaalsContact O-N 3.11Å
95	N	97.5	Very high	96.2	Very high	30 Å²	30	25.2 Å²	25.2	16%	0.16	14%	0.141	C	C	.	.	H	α-helix	trans	-50.7	-37.3	171.3	-72.2	-5	0	0	0	113	M89 A99 N147 V148	M89-N95 WeakPolarHBondContact CE-OD1 3.24Å; N95-A99 VanDerWaalsContact O-CB 3.25Å; N95-A99 WeakPolarHBondContact O-CB 3.4Å; N95-A99 PolarHBondContact O-N 3.21Å; N95-N147 PolarHBondContact ND2-O 3.14Å; N95-V148 HydrophobicContact CB-CG2 4.35Å; N95-V148 WeakPolarHBondContact CB-O 3.46Å
96	Q	97.7	Very high	96.7	Very high	42 Å²	42	28.5 Å²	28.5	20%	0.196	15%	0.153	C	C	.	.	H	α-helix	trans	-71.3	-41.8	-178.1	-54.6	-57.9	-41.5	0	0	111.3	V5 A7 S94 I98 A99 L100	V5-Q96 WeakPolarHBondContact O-CB 3.31Å; A7-Q96 HydrophobicContact CB-CB 4.37Å; A7-Q96 WeakPolarHBondContact CB-O 3.39Å; S94-Q96 PolarHBondContact O-N 2.98Å; S94-Q96 VanDerWaalsContact O-N 3.14Å; Q96-I98 VanDerWaalsContact C-N 3.34Å; Q96-I98 PolarHBondContact O-N 3.23Å; Q96-A99 PolarHBondContact O-N 2.82Å; Q96-L100 WeakPolarHBondContact O-CB 3.25Å; Q96-L100 PolarHBondContact O-N 3.37Å
97	E	96.7	Very high	96.9	Very high	64 Å²	64	30.2 Å²	30.2	30%	0.299	16%	0.162	S	C	.	.	H	α-helix	trans	-64.6	-39	176.8	-70.9	164.6	117.1	0	0	111.8	P59 Y93 S94 P101	P59-E97 HydrophobicContact CB-CB 3.97Å; P59-E97 HydrophobicContact CB-CG 4.12Å; P59-E97 HydrophobicContact CG-CB 4.31Å; Y93-E97 HydrophobicContact CD1-CB 4.22Å; S94-E97 WeakPolarHBondContact CB-OE2 3.25Å; S94-E97 PolarHBondContact N-OE2 2.71Å; S94-E97 PolarHBondContact O-N 3.47Å; S94-E97 VanDerWaalsContact O-N 3.13Å; S94-E97 WeakPolarHBondContact OG-CG 3.5Å; S94-E97 PolarHBondContact OG-N 3.4Å; S94-E97 PolarHBondContact OG-OE2 3.06Å; E97-P101 WeakPolarHBondContact O-CD 3.24Å
98	I	97.3	Very high	97.2	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-67	-40.8	174.4	-61.5	-62.2	0	0	0	111.7	L87 M89 S94 Q96 V148 P225 E226	L87-I98 HydrophobicContact CB-CD1 3.61Å; L87-I98 WeakPolarHBondContact O-CD1 3.18Å; M89-I98 HydrophobicContact CG-CD1 4.31Å; M89-I98 HydrophobicContact CG-CG1 4Å; S94-I98 PolarHBondContact O-N 3.22Å; S94-I98 VanDerWaalsContact O-N 3.11Å; Q96-I98 VanDerWaalsContact C-N 3.34Å; Q96-I98 PolarHBondContact O-N 3.23Å; I98-V148 HydrophobicContact CB-CG2 4.31Å; I98-V148 HydrophobicContact CG2-CG2 4.09Å; I98-P225 HydrophobicContact CG2-CB 3.73Å; I98-E226 HydrophobicContact CG2-CG 4.39Å
99	A	98.4	Very high	97.3	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.017	17%	0.174	C	C	.	.	H	α-helix	trans	-74.6	-33.4	-174.9	0	0	0	0	0	113.9	A7 N95 Q96 I102 R103 I229	A7-A99 HydrophobicContact CB-CB 3.92Å; N95-A99 VanDerWaalsContact O-CB 3.25Å; N95-A99 WeakPolarHBondContact O-CB 3.4Å; N95-A99 PolarHBondContact O-N 3.21Å; Q96-A99 PolarHBondContact O-N 2.82Å; A99-I102 PolarHBondContact O-N 3.5Å; A99-R103 PolarHBondContact O-N 3.48Å; A99-I229 HydrophobicContact CB-CD1 3.64Å; A99-I229 HydrophobicContact CB-CG1 3.84Å; A99-I229 HydrophobicContact CB-CG2 4.21Å
100	L	98.2	Very high	97.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-58.5	-49.3	-171.2	-175.4	150.2	0	0	0	113	V5 A7 N57 F58 Q96 I102 R103 V104	V5-L100 HydrophobicContact CG1-CD1 3.55Å; A7-L100 HydrophobicContact CB-CB 3.89Å; N57-L100 HydrophobicContact CB-CD1 3.91Å; F58-L100 HydrophobicContact CD2-CD2 3.49Å; F58-L100 VanDerWaalsContact CD2-CD2 3.49Å; F58-L100 HydrophobicContact CE2-CD2 3.62Å; F58-L100 HydrophobicContact CG-CD2 4.31Å; F58-L100 HydrophobicContact CZ-CD2 4.49Å; Q96-L100 WeakPolarHBondContact O-CB 3.25Å; Q96-L100 PolarHBondContact O-N 3.37Å; L100-I102 VanDerWaalsContact C-N 3.3Å; L100-I102 PolarHBondContact O-N 3.35Å; L100-R103 PolarHBondContact O-N 3.39Å; L100-V104 HydrophobicContact CD2-CG2 3.83Å; L100-V104 HydrophobicContact CG-CG2 4.29Å; L100-V104 WeakPolarHBondContact O-CB 3.47Å; L100-V104 VanDerWaalsContact O-CG2 3.25Å; L100-V104 WeakPolarHBondContact O-CG2 3.46Å; L100-V104 PolarHBondContact O-N 3.4Å
101	P	98.1	Very high	97.6	Very high	3 Å²	3	31 Å²	31	2%	0.019	17%	0.172	C	C	.	.	H	α-helix	trans	-59	-38.3	-180	-26.8	36	0	0	0	113.7	F58 P59 M83 L87 E97 V104 M105	F58-P101 HydrophobicContact CE1-CB 4.08Å; F58-P101 HydrophobicContact CE1-CG 4.12Å; F58-P101 HydrophobicContact CZ-CB 4.07Å; F58-P101 HydrophobicContact CZ-CG 4.35Å; P59-P101 HydrophobicContact CG-CG 4.36Å; M83-P101 HydrophobicContact CE-CB 3.63Å; M83-P101 HydrophobicContact CE-CG 3.96Å; M83-P101 HydrophobicContact SD-CB 3.74Å; L87-P101 HydrophobicContact CD1-CG 3.8Å; E97-P101 WeakPolarHBondContact O-CD 3.24Å; P101-V104 PolarHBondContact O-N 3.16Å; P101-M105 WeakPolarHBondContact O-CG 3.38Å; P101-M105 PolarHBondContact O-N 3.34Å
102	I	98.7	Very high	97.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-70.5	-41	179.1	-50.8	-55.3	0	0	0	111	I32 A99 L100 V104 M105 K106 L113 E226 I229 A230	I32-I102 HydrophobicContact CD1-CD1 3.54Å; A99-I102 PolarHBondContact O-N 3.5Å; L100-I102 VanDerWaalsContact C-N 3.3Å; L100-I102 PolarHBondContact O-N 3.35Å; I102-V104 VanDerWaalsContact C-N 3.3Å; I102-V104 PolarHBondContact O-N 3.35Å; I102-M105 HydrophobicContact CD1-SD 4.41Å; I102-M105 WeakPolarHBondContact O-CB 3.38Å; I102-M105 PolarHBondContact O-N 3.48Å; I102-K106 PolarHBondContact O-N 2.92Å; I102-L113 HydrophobicContact CD1-CD2 4.17Å; I102-E226 HydrophobicContact CD1-CB 4.05Å; I102-E226 HydrophobicContact CD1-CG 4.15Å; I102-E226 HydrophobicContact CG1-CB 4.17Å; I102-E226 HydrophobicContact CG1-CG 4.26Å; I102-I229 HydrophobicContact CB-CB 4.25Å; I102-I229 HydrophobicContact CB-CG2 3.69Å; I102-I229 HydrophobicContact CG1-CG2 4.42Å; I102-I229 HydrophobicContact CG2-CB 4.18Å; I102-I229 HydrophobicContact CG2-CG2 3.76Å; I102-A230 HydrophobicContact CG2-CB 4.03Å
103	R	98.7	Very high	98	Very high	9 Å²	9	25.2 Å²	25.2	3%	0.034	13%	0.129	C	C	.	.	H	α-helix	trans	-64.2	-35.6	173.2	-77.1	179.3	171.8	159	5.5	112	A7 A12 A99 L100 K106 L107 Q154 F157 I229	A7-R103 WeakPolarHBondContact O-CD 3.48Å; A7-R103 PolarHBondContact O-NH1 3.17Å; A12-R103 HydrophobicContact CB-CB 4.34Å; A99-R103 PolarHBondContact O-N 3.48Å; L100-R103 PolarHBondContact O-N 3.39Å; R103-K106 WeakPolarHBondContact O-CB 3.42Å; R103-K106 PolarHBondContact O-N 2.98Å; R103-L107 WeakPolarHBondContact O-CG 3.33Å; R103-L107 PolarHBondContact O-N 3.13Å; R103-L107 VanDerWaalsContact O-N 3.15Å; R103-Q154 VanDerWaalsContact NH1-CG 3.32Å; R103-F157 HydrophobicContact CB-CD1 4.1Å; R103-F157 HydrophobicContact CB-CE1 3.55Å; R103-F157 HydrophobicContact CB-CE2 4.16Å; R103-F157 HydrophobicContact CB-CZ 3.59Å; R103-F157 HydrophobicContact CG-CD1 3.73Å; R103-F157 HydrophobicContact CG-CD2 4.07Å; R103-F157 HydrophobicContact CG-CE1 3.73Å; R103-F157 HydrophobicContact CG-CE2 4.05Å; R103-F157 HydrophobicContact CG-CG 3.92Å; R103-F157 HydrophobicContact CG-CZ 3.89Å; R103-I229 HydrophobicContact CG-CG2 4.07Å
104	V	98.6	Very high	98.1	Very high	1 Å²	1	24 Å²	24	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-66.3	-44.6	172.6	170.8	0	0	0	0	110.8	A12 A15 A16 I19 F58 L100 P101 I102 K106 L107 L108	A12-V104 HydrophobicContact CB-CG2 3.97Å; A15-V104 HydrophobicContact CB-CG1 4.42Å; A15-V104 HydrophobicContact CB-CG2 3.74Å; A16-V104 HydrophobicContact CB-CG1 4.3Å; I19-V104 HydrophobicContact CD1-CG1 3.58Å; F58-V104 HydrophobicContact CE2-CB 4.13Å; F58-V104 HydrophobicContact CE2-CG1 4.02Å; F58-V104 HydrophobicContact CE2-CG2 3.93Å; F58-V104 HydrophobicContact CZ-CB 4.38Å; F58-V104 HydrophobicContact CZ-CG1 4.25Å; L100-V104 HydrophobicContact CD2-CG2 3.83Å; L100-V104 HydrophobicContact CG-CG2 4.29Å; L100-V104 WeakPolarHBondContact O-CB 3.47Å; L100-V104 VanDerWaalsContact O-CG2 3.25Å; L100-V104 WeakPolarHBondContact O-CG2 3.46Å; L100-V104 PolarHBondContact O-N 3.4Å; P101-V104 PolarHBondContact O-N 3.16Å; I102-V104 VanDerWaalsContact C-N 3.3Å; I102-V104 PolarHBondContact O-N 3.35Å; V104-K106 VanDerWaalsContact C-N 3.26Å; V104-K106 PolarHBondContact O-N 2.89Å; V104-L107 PolarHBondContact O-N 3.28Å; V104-L108 HydrophobicContact CG1-CD1 4.19Å; V104-L108 HydrophobicContact CG1-CG 4.35Å; V104-L108 WeakPolarHBondContact O-CG 3.44Å; V104-L108 PolarHBondContact O-N 3.4Å
105	M	98.7	Very high	98.2	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-54	-43.3	172.2	-76	-177.8	178.2	0	0	111.7	V81 M83 P101 I102 L107 L108 G109 V110 L113	V81-M105 HydrophobicContact CG1-CE 4.25Å; V81-M105 HydrophobicContact CG1-CG 4Å; V81-M105 HydrophobicContact CG1-SD 4.45Å; M83-M105 HydrophobicContact CG-CE 3.51Å; M83-M105 HydrophobicContact SD-CE 3.76Å; P101-M105 WeakPolarHBondContact O-CG 3.38Å; P101-M105 PolarHBondContact O-N 3.34Å; I102-M105 HydrophobicContact CD1-SD 4.41Å; I102-M105 WeakPolarHBondContact O-CB 3.38Å; I102-M105 PolarHBondContact O-N 3.48Å; M105-L107 PolarHBondContact O-N 3.41Å; M105-L108 PolarHBondContact O-N 2.71Å; M105-G109 PolarHBondContact O-N 2.83Å; M105-V110 HydrophobicContact CB-CB 3.98Å; M105-V110 HydrophobicContact CB-CG1 4.48Å; M105-V110 HydrophobicContact CB-CG2 3.79Å; M105-V110 HydrophobicContact CG-CG2 4.24Å; M105-V110 VanDerWaalsContact O-CB 3.31Å; M105-V110 WeakPolarHBondContact O-CB 3.49Å; M105-V110 WeakPolarHBondContact O-CG2 3.33Å; M105-V110 PolarHBondContact O-N 2.84Å; M105-L113 HydrophobicContact SD-CD1 3.93Å
106	K	98.7	Very high	98.1	Very high	78 Å²	78	20.4 Å²	20.4	34%	0.339	10%	0.101	S	C	.	.	H	α-helix	trans	-56.1	-46.9	174	178.2	63.3	-178.6	-162.6	0	112.2	I102 R103 V104 L108 G109 C233 I235	I102-K106 PolarHBondContact O-N 2.92Å; R103-K106 WeakPolarHBondContact O-CB 3.42Å; R103-K106 PolarHBondContact O-N 2.98Å; V104-K106 VanDerWaalsContact C-N 3.26Å; V104-K106 PolarHBondContact O-N 2.89Å; K106-L108 VanDerWaalsContact C-N 3.29Å; K106-L108 PolarHBondContact O-N 2.87Å; K106-G109 PolarHBondContact O-N 2.79Å; K106-C233 HydrophobicContact CD-CB 4.38Å; K106-C233 VanDerWaalsContact CE-O 3.25Å; K106-C233 WeakPolarHBondContact CE-O 3.42Å; K106-C233 HydrophobicContact CG-CB 4.16Å; K106-C233 PolarHBondContact NZ-O 3.26Å; K106-I235 HydrophobicContact CB-CD1 4.01Å; K106-I235 HydrophobicContact CD-CD1 4.34Å; K106-I235 HydrophobicContact CD-CG1 4.1Å
107	L	98.5	Very high	98	Very high	39 Å²	39	18.6 Å²	18.6	20%	0.204	9%	0.093	C	C	.	.	H	α-helix	trans	-73	-18.2	-179.7	-62.9	-177.6	0	0	0	114.2	Y9 A12 A16 K20 R103 V104 M105 G109 F157	Y9-L107 HydrophobicContact CD2-CD2 4.26Å; Y9-L107 HydrophobicContact CE2-CD1 4.45Å; Y9-L107 HydrophobicContact CE2-CD2 3.75Å; A12-L107 HydrophobicContact CB-CD1 3.73Å; A16-L107 HydrophobicContact CB-CB 3.9Å; A16-L107 HydrophobicContact CB-CD1 4.49Å; K20-L107 PolarHBondContact NZ-O 2.81Å; R103-L107 WeakPolarHBondContact O-CG 3.33Å; R103-L107 PolarHBondContact O-N 3.13Å; R103-L107 VanDerWaalsContact O-N 3.15Å; V104-L107 PolarHBondContact O-N 3.28Å; M105-L107 PolarHBondContact O-N 3.41Å; L107-G109 VanDerWaalsContact C-N 3.35Å; L107-F157 HydrophobicContact CD1-CZ 4.24Å; L107-F157 HydrophobicContact CD2-CE1 4.22Å; L107-F157 HydrophobicContact CG-CE1 4.15Å; L107-F157 HydrophobicContact CG-CZ 4.38Å
108	L	98.5	Very high	97.9	Very high	5 Å²	5	17 Å²	17	3%	0.026	9%	0.086	C	C	.	.	H	α-helix	trans	-80	-17.2	171.3	-68	177.4	0	0	0	112.9	A16 I19 K20 P27 V104 M105 K106	A16-L108 HydrophobicContact CB-CD2 4.15Å; I19-L108 HydrophobicContact CB-CD2 4.13Å; I19-L108 HydrophobicContact CD1-CD1 4.16Å; I19-L108 HydrophobicContact CG2-CD1 3.94Å; I19-L108 HydrophobicContact CG2-CD2 3.89Å; K20-L108 HydrophobicContact CG-CD2 3.95Å; P27-L108 HydrophobicContact CG-CB 3.91Å; P27-L108 HydrophobicContact CG-CD1 4.45Å; V104-L108 HydrophobicContact CG1-CD1 4.19Å; V104-L108 HydrophobicContact CG1-CG 4.35Å; V104-L108 WeakPolarHBondContact O-CG 3.44Å; V104-L108 PolarHBondContact O-N 3.4Å; M105-L108 PolarHBondContact O-N 2.71Å; K106-L108 VanDerWaalsContact C-N 3.29Å; K106-L108 PolarHBondContact O-N 2.87Å
109	G	98	Very high	97.8	Very high	34 Å²	34	17 Å²	17	35%	0.351	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	113.4	5.8	179.5	0	0	0	0	0	114.8	P27 M105 K106 L107 R111	P27-G109 CarbonylContact O-C 3.55Å; M105-G109 PolarHBondContact O-N 2.83Å; K106-G109 PolarHBondContact O-N 2.79Å; L107-G109 VanDerWaalsContact C-N 3.35Å; G109-R111 WeakPolarHBondContact O-CG 3.35Å; G109-R111 PolarHBondContact O-N 3.28Å
110	V	98.6	Very high	97.7	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	9%	0.09	C	C	.	.			trans	-63.4	130	-179.1	174.1	0	0	0	0	110.8	P27 G30 V81 M105 V112 I235	P27-V110 HydrophobicContact CB-CG2 4.24Å; P27-V110 HydrophobicContact CG-CG2 4Å; P27-V110 PolarHBondContact O-N 3.22Å; G30-V110 VanDerWaalsContact N-CG1 3.28Å; V81-V110 HydrophobicContact CG1-CG2 3.54Å; M105-V110 HydrophobicContact CB-CB 3.98Å; M105-V110 HydrophobicContact CB-CG1 4.48Å; M105-V110 HydrophobicContact CB-CG2 3.79Å; M105-V110 HydrophobicContact CG-CG2 4.24Å; M105-V110 VanDerWaalsContact O-CB 3.31Å; M105-V110 WeakPolarHBondContact O-CB 3.49Å; M105-V110 WeakPolarHBondContact O-CG2 3.33Å; M105-V110 PolarHBondContact O-N 2.84Å; V110-V112 VanDerWaalsContact CG1-O 3.26Å; V110-V112 WeakPolarHBondContact CG1-O 3.36Å; V110-I235 HydrophobicContact CB-CD1 4.45Å; V110-I235 HydrophobicContact CG1-CD1 4.25Å; V110-I235 HydrophobicContact CG1-CG2 4.28Å
111	R	98.2	Very high	97.7	Very high	119 Å²	119	17.2 Å²	17.2	45%	0.449	9%	0.09	S	C	.	.			trans	-116.1	-23.5	179	-65.7	175.4	64.2	-127.6	4.6	112.8	D28 G109 K236 D287	D28-R111 PolarHBondContact O-N 3.19Å; G109-R111 WeakPolarHBondContact O-CG 3.35Å; G109-R111 PolarHBondContact O-N 3.28Å; R111-K236 PolarHBondContact O-N 2.99Å; R111-D287 VanDerWaalsContact CZ-CG 3.46Å; R111-D287 IonicContact CZ-OD1 3.12Å; R111-D287 IonicContact CZ-OD2 3.21Å; R111-D287 IonicContact NE-OD2 2.76Å; R111-D287 IonicContact NH1-OD1 2.99Å; R111-D287 PolarHBondContact NH1-OD1 3.19Å; R111-D287 IonicContact NH1-OD2 2.71Å; R111-D287 PolarHBondContact NH1-OD2 3.19Å; R111-D287 IonicContact NH2-OD1 2.66Å; R111-D287 PolarHBondContact NH2-OD1 2.76Å; R111-D287 IonicContact NH2-OD2 3.35Å; R111-D287 PolarHBondContact NH2-OD2 2.64Å
112	V	98.5	Very high	97.7	Very high	19 Å²	19	17 Å²	17	12%	0.115	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.3	175.9	179.4	0	0	0	0	109.7	D28 I29 G30 V110 L114 L172 K236 L284	D28-V112 PolarHBondContact O-N 2.99Å; I29-V112 CarbonylContact C-O 3.57Å; I29-V112 WeakPolarHBondContact CA-O 3.2Å; G30-V112 PolarHBondContact N-O 2.88Å; V110-V112 VanDerWaalsContact CG1-O 3.26Å; V110-V112 WeakPolarHBondContact CG1-O 3.36Å; V112-L114 HydrophobicContact CG1-CD2 3.61Å; V112-L114 HydrophobicContact CG1-CG 4.28Å; V112-L172 HydrophobicContact CG1-CD1 3.75Å; V112-K236 CarbonylContact C-O 3.57Å; V112-K236 WeakPolarHBondContact CA-O 3.26Å; V112-K236 HydrophobicContact CG2-CB 4.43Å; V112-L284 HydrophobicContact CB-CD1 4.38Å; V112-L284 HydrophobicContact CG1-CD1 4.12Å; V112-L284 HydrophobicContact CG1-CD2 4.4Å
113	L	98.6	Very high	97.7	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.2	173.2	-178.1	63.1	0	0	0	109.8	G30 I32 I102 M105 I115 A230 I235 K236 V237 L238	G30-L113 WeakPolarHBondContact O-CA 3.26Å; I32-L113 HydrophobicContact CD1-CD1 4.2Å; I32-L113 HydrophobicContact CD1-CD2 4.36Å; I32-L113 HydrophobicContact CG1-CD1 4.11Å; I102-L113 HydrophobicContact CD1-CD2 4.17Å; M105-L113 HydrophobicContact SD-CD1 3.93Å; L113-I115 HydrophobicContact CD1-CG1 4.47Å; L113-I115 HydrophobicContact CD2-CD1 3.76Å; L113-I115 HydrophobicContact CD2-CG1 4.09Å; L113-I115 HydrophobicContact CG-CD1 4.05Å; L113-I115 HydrophobicContact CG-CG1 3.81Å; L113-A230 HydrophobicContact CD2-CB 3.7Å; L113-I235 HydrophobicContact CB-CG2 3.62Å; L113-K236 PolarHBondContact N-O 2.81Å; L113-V237 HydrophobicContact CB-CG2 4.47Å; L113-V237 WeakPolarHBondContact O-CA 3.31Å; L113-L238 PolarHBondContact O-N 3.27Å
114	L	97.7	Very high	97.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.6	176.4	-50.9	-177.3	0	0	0	108.7	I29 G30 I31 I32 V112 L238 F277 I280 I281	I29-L114 HydrophobicContact CG2-CD1 3.89Å; I29-L114 HydrophobicContact CG2-CG 4.01Å; G30-L114 PolarHBondContact O-N 3.45Å; I31-L114 CarbonylContact C-O 3.59Å; I31-L114 WeakPolarHBondContact CA-O 3.38Å; I32-L114 PolarHBondContact N-O 3.09Å; V112-L114 HydrophobicContact CG1-CD2 3.61Å; V112-L114 HydrophobicContact CG1-CG 4.28Å; L114-L238 WeakPolarHBondContact CA-O 3.2Å; L114-L238 HydrophobicContact CD2-CB 3.75Å; L114-L238 HydrophobicContact CD2-CD2 4.12Å; L114-L238 HydrophobicContact CD2-CG 4.5Å; L114-F277 HydrophobicContact CB-CD1 4.2Å; L114-F277 HydrophobicContact CB-CE1 3.91Å; L114-F277 HydrophobicContact CD1-CD1 4.38Å; L114-I280 HydrophobicContact CD1-CG2 4.45Å; L114-I281 HydrophobicContact CD1-CD1 4.14Å; L114-I281 HydrophobicContact CD1-CG1 3.48Å; L114-I281 VanDerWaalsContact CD1-CG1 3.48Å
115	I	97.6	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.8	-177.1	-50.9	-179	0	0	0	109.7	I32 L113 T223 E226 V227 V237 L238 A239 V240	I32-I115 HydrophobicContact CB-CG1 4.32Å; I32-I115 HydrophobicContact CB-CG2 4.25Å; I32-I115 HydrophobicContact CD1-CD1 4.37Å; I32-I115 HydrophobicContact CD1-CG1 4.42Å; I32-I115 HydrophobicContact CG2-CG2 4.47Å; L113-I115 HydrophobicContact CD1-CG1 4.47Å; L113-I115 HydrophobicContact CD2-CD1 3.76Å; L113-I115 HydrophobicContact CD2-CG1 4.09Å; L113-I115 HydrophobicContact CG-CD1 4.05Å; L113-I115 HydrophobicContact CG-CG1 3.81Å; I115-T223 HydrophobicContact CD1-CG2 4.41Å; I115-T223 HydrophobicContact CG2-CG2 3.98Å; I115-E226 HydrophobicContact CD1-CB 4.17Å; I115-V227 HydrophobicContact CD1-CG2 3.87Å; I115-V237 HydrophobicContact CD1-CG1 4.41Å; I115-L238 PolarHBondContact N-O 2.76Å; I115-A239 HydrophobicContact CB-CB 4.25Å; I115-A239 CarbonylContact O-C 3.49Å; I115-A239 VanDerWaalsContact O-CA 3.3Å; I115-A239 WeakPolarHBondContact O-CA 3.42Å; I115-V240 PolarHBondContact O-N 3.3Å
116	T	96.1	Very high	97.4	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.018	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	154.7	162.4	56.6	0	0	0	0	111.7	I32 G34 L37 R86 V240 L273 F277	I32-T116 PolarHBondContact O-N 2.95Å; I32-T116 VanDerWaalsContact O-N 3.08Å; G34-T116 WeakPolarHBondContact CA-O 3.22Å; G34-T116 PolarHBondContact N-O 2.72Å; G34-T116 VanDerWaalsContact N-O 3.15Å; G34-T116 PolarHBondContact N-OG1 3.49Å; L37-T116 HydrophobicContact CD1-CG2 3.25Å; L37-T116 WeakPolarHBondContact CD1-OG1 3.4Å; L37-T116 HydrophobicContact CG-CG2 3.75Å; L37-T116 WeakPolarHBondContact CG-OG1 3.42Å; R86-T116 PolarHBondContact NH1-O 2.85Å; T116-V240 VanDerWaalsContact CA-O 3.27Å; T116-V240 WeakPolarHBondContact CA-O 3.27Å; T116-V240 HydrophobicContact CG2-CB 4.37Å; T116-L273 HydrophobicContact CG2-CD1 4.38Å; T116-L273 HydrophobicContact CG2-CD2 4.16Å; T116-L273 HydrophobicContact CG2-CG 4.49Å; T116-F277 HydrophobicContact CG2-CD1 4.44Å; T116-F277 HydrophobicContact CG2-CD2 4.47Å; T116-F277 HydrophobicContact CG2-CE1 3.63Å; T116-F277 HydrophobicContact CG2-CE2 3.69Å; T116-F277 HydrophobicContact CG2-CZ 3.2Å
117	N	95.3	Very high	97.3	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	167.2	169.4	68.2	57.3	0	0	0	110.7	Y194 T223 V240 S241 L242	N117-Y194 WeakPolarHBondContact ND2-CE2 3.28Å; N117-T223 PolarHBondContact ND2-OG1 3.34Å; N117-V240 PolarHBondContact N-O 2.7Å; N117-V240 VanDerWaalsContact N-O 3.09Å; N117-S241 PolarHBondContact ND2-OG 3.32Å; N117-S241 WeakPolarHBondContact OD1-CA 3.33Å; N117-S241 VanDerWaalsContact OD1-CB 3.28Å; N117-S241 WeakPolarHBondContact OD1-CB 3.31Å; N117-S241 PolarHBondContact OD1-OG 3.27Å; N117-S241 VanDerWaalsContact OD1-OG 3.07Å; N117-L242 PolarHBondContact O-N 2.69Å
118	L	94	Very high	97.1	Very high	29 Å²	29	36.5 Å²	36.5	15%	0.152	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	142.5	160.7	-70.1	176.2	0	0	0	109.2	L242 V262 A266	L118-L242 WeakPolarHBondContact CA-O 3.24Å; L118-L242 HydrophobicContact CD2-CB 3.89Å; L118-L242 HydrophobicContact CD2-CD2 3.63Å; L118-L242 HydrophobicContact CD2-CG 3.66Å; L118-V262 HydrophobicContact CB-CG1 4.22Å; L118-V262 HydrophobicContact CD1-CG1 3.36Å; L118-V262 HydrophobicContact CG-CG1 4.33Å; L118-A266 HydrophobicContact CD1-CB 3.91Å; L118-A266 HydrophobicContact CD2-CB 4.07Å
119	A	96.1	Very high	97	Very high	6 Å²	6	36.4 Å²	36.4	5%	0.05	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	158.4	-179.2	0	0	0	0	0	111.7	Y194 V218 V219 L242 I243 A244	A119-Y194 HydrophobicContact CB-CE2 4.19Å; A119-V218 HydrophobicContact CB-CB 4.28Å; A119-V219 CarbonylContact C-O 3.56Å; A119-V219 WeakPolarHBondContact CA-O 3.42Å; A119-V219 VanDerWaalsContact CB-O 3.28Å; A119-V219 WeakPolarHBondContact CB-O 3.47Å; A119-L242 PolarHBondContact N-O 3.5Å; A119-I243 HydrophobicContact CB-CD1 4.41Å; A119-I243 WeakPolarHBondContact O-CA 3.33Å; A119-A244 PolarHBondContact O-N 2.88Å
120	G	96.9	Very high	97	Very high	7 Å²	7	35.1 Å²	35.1	7%	0.072	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	137.9	164.2	0	0	0	0	0	110.6	V218 V219	G120-V218 CarbonylContact O-C 3.54Å; G120-V218 VanDerWaalsContact O-CA 3.31Å; G120-V218 WeakPolarHBondContact O-CA 3.44Å; G120-V219 PolarHBondContact N-O 3.5Å; G120-V219 PolarHBondContact O-N 2.65Å
121	G	98	Very high	96.9	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	135.4	167.9	0	0	0	0	0	110.7	N245 N246 S247	G121-N245 PolarHBondContact N-O 2.78Å; G121-N246 CarbonylContact O-C 3.52Å; G121-N246 WeakPolarHBondContact O-CA 3.44Å; G121-N246 PolarHBondContact O-OD1 3.28Å; G121-S247 PolarHBondContact O-N 3.22Å; G121-S247 PolarHBondContact O-OG 3.42Å
122	I	98.4	Very high	97	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.			trans	-112.5	-43.4	171.8	-61.3	-72.5	0	0	0	108.8	R124 L211 L212 C216 D217 V219 S247 I248	I122-R124 PolarHBondContact O-N 3.49Å; I122-L211 HydrophobicContact CD1-CB 4.11Å; I122-L211 HydrophobicContact CD1-CD1 4.16Å; I122-L211 HydrophobicContact CG1-CB 4.4Å; I122-L211 HydrophobicContact CG2-CB 4.23Å; I122-L212 VanDerWaalsContact CG2-CA 3.42Å; I122-L212 HydrophobicContact CG2-CB 3.62Å; I122-L212 HydrophobicContact CG2-CD1 4.13Å; I122-L212 HydrophobicContact CG2-CG 4.49Å; I122-C216 VanDerWaalsContact CG2-O 3.28Å; I122-C216 WeakPolarHBondContact CG2-O 3.28Å; I122-D217 WeakPolarHBondContact CA-O 3.42Å; I122-D217 WeakPolarHBondContact CB-O 3.45Å; I122-D217 PolarHBondContact N-O 3.45Å; I122-V219 HydrophobicContact CD1-CB 4.33Å; I122-V219 HydrophobicContact CD1-CG1 3.81Å; I122-V219 HydrophobicContact CG1-CB 4.07Å; I122-V219 HydrophobicContact CG1-CG1 3.88Å; I122-S247 WeakPolarHBondContact CD1-OG 3.35Å; I122-I248 HydrophobicContact CG2-CG1 4.44Å; I122-I248 WeakPolarHBondContact O-CG1 3.34Å
123	N	97.2	Very high	97	Very high	42 Å²	42	28.9 Å²	28.9	23%	0.225	14%	0.139	C	C	.	.	S	Bend	trans	-63.2	124	173.5	-173.7	-31.2	0	0	0	110.1	K125 L126 D217 N246	N123-K125 PolarHBondContact O-N 3.11Å; N123-K125 WeakPolarHBondContact OD1-CB 3.47Å; N123-K125 WeakPolarHBondContact OD1-CG 3.41Å; N123-K125 PolarHBondContact OD1-N 2.88Å; N123-L126 HydrophobicContact CB-CD1 4.02Å; N123-L126 HydrophobicContact CB-CG 4.1Å; N123-L126 WeakPolarHBondContact O-CB 3.31Å; N123-L126 PolarHBondContact O-N 2.87Å; N123-D217 HydrophobicContact CB-CB 4.09Å; N123-D217 WeakPolarHBondContact CB-OD1 3.3Å; N123-D217 PolarHBondContact N-O 2.98Å; N123-D217 PolarHBondContact ND2-OD1 3.39Å; N123-N246 PolarHBondContact O-ND2 2.97Å
124	R	96.1	Very high	97	Very high	121 Å²	121	28.9 Å²	28.9	46%	0.457	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-18.1	-178.2	-67.9	179	175.1	-88.9	1.3	114.5	I122 L126 I248 E252	I122-R124 PolarHBondContact O-N 3.49Å; R124-L126 VanDerWaalsContact C-N 3.33Å; R124-I248 HydrophobicContact CG-CG2 4.13Å; R124-I248 VanDerWaalsContact CZ-CG2 3.48Å; R124-E252 IonicContact CZ-OE1 3.13Å; R124-E252 IonicContact CZ-OE2 3.88Å; R124-E252 IonicContact NH1-OE1 2.76Å; R124-E252 PolarHBondContact NH1-OE1 3.02Å; R124-E252 IonicContact NH1-OE2 2.86Å; R124-E252 PolarHBondContact NH1-OE2 3.27Å; R124-E252 IonicContact NH2-OE1 2.64Å; R124-E252 PolarHBondContact NH2-OE1 3.4Å
125	K	96.5	Very high	97	Very high	161 Å²	161	33.3 Å²	33.3	70%	0.7	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-22.1	176.7	-64.3	178.8	-179.6	179.2	0	113.1	N123	N123-K125 PolarHBondContact O-N 3.11Å; N123-K125 WeakPolarHBondContact OD1-CB 3.47Å; N123-K125 WeakPolarHBondContact OD1-CG 3.41Å; N123-K125 PolarHBondContact OD1-N 2.88Å
126	L	97.7	Very high	97.1	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.026	17%	0.168	C	C	.	.			trans	-80.2	139.9	-176	-61	175.2	0	0	0	111.4	N123 R124 V132 H190 D217 V218 I243 N246	N123-L126 HydrophobicContact CB-CD1 4.02Å; N123-L126 HydrophobicContact CB-CG 4.1Å; N123-L126 WeakPolarHBondContact O-CB 3.31Å; N123-L126 PolarHBondContact O-N 2.87Å; R124-L126 VanDerWaalsContact C-N 3.33Å; L126-V132 HydrophobicContact CD1-CG2 3.91Å; L126-V132 HydrophobicContact CD2-CG2 3.64Å; L126-V132 HydrophobicContact CG-CG2 4.45Å; L126-H190 HydrophobicContact CD2-CB 3.89Å; L126-D217 VanDerWaalsContact CD1-O 3.26Å; L126-D217 WeakPolarHBondContact CD1-O 3.29Å; L126-V218 HydrophobicContact CD1-CG1 3.57Å; L126-I243 HydrophobicContact CD1-CD1 4.25Å; L126-I243 HydrophobicContact CD1-CG1 4.38Å; L126-N246 PolarHBondContact O-ND2 3.4Å
127	K	95.9	Very high	97.2	Very high	145 Å²	145	35.8 Å²	35.8	63%	0.63	18%	0.175	S	C	*	.			trans	-118.2	159.6	178.7	-56.6	170.8	-171.1	168.4	0	109.8	G129 D130 I243	K127-G129 PolarHBondContact O-N 3.39Å; K127-D130 WeakPolarHBondContact CB-OD2 3.36Å; K127-D130 PolarHBondContact N-OD2 2.83Å; K127-D130 WeakPolarHBondContact O-CB 3.38Å; K127-D130 PolarHBondContact O-N 3.38Å; K127-D130 VanDerWaalsContact O-N 3.13Å; K127-I243 WeakPolarHBondContact O-CB 3.28Å; K127-I243 WeakPolarHBondContact O-CG2 3.11Å
128	S	95.1	Very high	97.4	Very high	64 Å²	64	37.8 Å²	37.8	45%	0.448	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	126.9	170.4	-178.8	0	0	0	0	110.3	I243 A244 V265	S128-I243 CarbonylContact C-O 3.59Å; S128-I243 WeakPolarHBondContact CA-O 3.49Å; S128-A244 WeakPolarHBondContact CB-O 3.41Å; S128-A244 PolarHBondContact OG-O 2.82Å; S128-V265 VanDerWaalsContact OG-CG2 3.3Å; S128-V265 WeakPolarHBondContact OG-CG2 3.35Å
129	G	95.7	Very high	97.6	Very high	3 Å²	3	37.2 Å²	37.2	3%	0.031	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	-0.3	-176.6	0	0	0	0	0	115	K127 I243 R269	K127-G129 PolarHBondContact O-N 3.39Å; G129-I243 PolarHBondContact N-O 3.16Å; G129-R269 PolarHBondContact O-NE 3.13Å; G129-R269 PolarHBondContact O-NH2 2.94Å
130	D	98.1	Very high	97.7	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.037	19%	0.194	C	C	.	.			trans	-74.7	157.4	171.9	-67.6	-6.4	0	0	0	110.8	K127 H190 I243	K127-D130 WeakPolarHBondContact CB-OD2 3.36Å; K127-D130 PolarHBondContact N-OD2 2.83Å; K127-D130 WeakPolarHBondContact O-CB 3.38Å; K127-D130 PolarHBondContact O-N 3.38Å; K127-D130 VanDerWaalsContact O-N 3.13Å; D130-H190 IonicContact OD2-CD2 3.88Å; D130-H190 IonicContact OD2-NE2 3.39Å; D130-H190 PolarHBondContact OD2-NE2 3.09Å; D130-I243 HydrophobicContact CB-CB 4.42Å; D130-I243 HydrophobicContact CB-CG1 4.18Å; D130-I243 WeakPolarHBondContact O-CG1 3.17Å; D130-I243 PolarHBondContact O-N 2.93Å
131	F	98.1	Very high	97.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.1	172.3	-57.1	-68.5	0	0	0	110.4	L188 V189 H190 V240 S241 L242 R269 L272 L273 W276	F131-L188 HydrophobicContact CD2-CB 4.27Å; F131-L188 PolarHBondContact N-O 2.97Å; F131-V189 HydrophobicContact CB-CG2 4.47Å; F131-V189 HydrophobicContact CD2-CG2 4.39Å; F131-H190 PolarHBondContact O-N 3.3Å; F131-V240 HydrophobicContact CB-CG1 4.03Å; F131-V240 HydrophobicContact CD1-CG1 4.25Å; F131-S241 CarbonylContact C-O 3.51Å; F131-S241 WeakPolarHBondContact CA-O 3.36Å; F131-L242 HydrophobicContact CD1-CB 4.23Å; F131-L242 HydrophobicContact CD1-CD1 4.04Å; F131-L242 HydrophobicContact CE1-CB 4.33Å; F131-L242 HydrophobicContact CE1-CD1 3.79Å; F131-L242 HydrophobicContact CE1-CG 4.47Å; F131-R269 HydrophobicContact CE1-CB 4.31Å; F131-R269 HydrophobicContact CZ-CB 4.12Å; F131-R269 HydrophobicContact CZ-CG 4.33Å; F131-L272 HydrophobicContact CE2-CD2 3.77Å; F131-L272 HydrophobicContact CE2-CG 4.21Å; F131-L272 HydrophobicContact CZ-CD2 4.2Å; F131-L272 HydrophobicContact CZ-CG 4.38Å; F131-L273 HydrophobicContact CD1-CD1 4.04Å; F131-L273 HydrophobicContact CE1-CB 4.16Å; F131-L273 HydrophobicContact CE1-CD1 3.7Å; F131-L273 HydrophobicContact CE1-CD2 4.34Å; F131-L273 HydrophobicContact CE1-CG 4.27Å; F131-L273 HydrophobicContact CZ-CB 4.3Å; F131-L273 HydrophobicContact CZ-CD1 4.33Å; F131-W276 HydrophobicContact CB-CH2 4.18Å; F131-W276 HydrophobicContact CB-CZ3 3.72Å; F131-W276 HydrophobicContact CD1-CZ3 4.25Å; F131-W276 HydrophobicContact CD2-CE3 4.4Å; F131-W276 HydrophobicContact CD2-CZ3 4.01Å; F131-W276 HydrophobicContact CG-CE3 4.4Å; F131-W276 AromaticContact CG-CZ3 3.74Å; F131-W276 HydrophobicContact CG-CZ3 3.74Å
132	V	98.7	Very high	97.9	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	111.5	175.5	179.4	0	0	0	0	109.6	L126 I134 H190 V218 V240 S241 I243	L126-V132 HydrophobicContact CD1-CG2 3.91Å; L126-V132 HydrophobicContact CD2-CG2 3.64Å; L126-V132 HydrophobicContact CG-CG2 4.45Å; V132-I134 PolarHBondContact O-N 3.28Å; V132-H190 CarbonylContact C-O 3.46Å; V132-H190 WeakPolarHBondContact CA-O 3.19Å; V132-H190 HydrophobicContact CG2-CB 4.21Å; V132-V218 HydrophobicContact CB-CG1 3.99Å; V132-V218 HydrophobicContact CG1-CG1 4.01Å; V132-V218 HydrophobicContact CG1-CG2 4.47Å; V132-V218 HydrophobicContact CG2-CG1 3.67Å; V132-V240 WeakPolarHBondContact O-CA 3.35Å; V132-S241 PolarHBondContact N-O 2.93Å; V132-S241 PolarHBondContact O-N 3.46Å; V132-I243 HydrophobicContact CB-CD1 4.48Å; V132-I243 HydrophobicContact CG2-CD1 3.75Å; V132-I243 HydrophobicContact CG2-CG1 3.95Å
133	L	98.7	Very high	97.9	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	112.6	164.1	-65.5	168.7	0	0	0	107.9	K135 A176 L177 V189 H190 E191 G192 L238 V240 W276	L133-K135 PolarHBondContact O-N 2.94Å; L133-A176 HydrophobicContact CD2-CB 3.71Å; L133-L177 HydrophobicContact CD1-CB 4.12Å; L133-V189 HydrophobicContact CD1-CG1 3.69Å; L133-V189 HydrophobicContact CG-CG1 3.94Å; L133-H190 PolarHBondContact N-O 3.5Å; L133-E191 WeakPolarHBondContact O-CA 3.42Å; L133-G192 PolarHBondContact O-N 3.06Å; L133-L238 HydrophobicContact CD2-CD1 3.96Å; L133-V240 HydrophobicContact CD2-CG2 3.83Å; L133-W276 HydrophobicContact CD2-CH2 4Å; L133-W276 HydrophobicContact CD2-CZ2 4.17Å; L133-W276 HydrophobicContact CG-CH2 4.37Å
134	I	98.7	Very high	97.9	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	116.2	-178.8	-53.4	179.2	0	0	0	108.2	V132 G136 Y168 Y194 T223 A239 S241	V132-I134 PolarHBondContact O-N 3.28Å; I134-G136 WeakPolarHBondContact CG2-O 3.3Å; I134-Y168 HydrophobicContact CB-CD1 4.08Å; I134-Y168 HydrophobicContact CB-CE1 3.85Å; I134-Y168 HydrophobicContact CG2-CD1 4.03Å; I134-Y168 HydrophobicContact CG2-CD2 4.33Å; I134-Y168 HydrophobicContact CG2-CE1 3.5Å; I134-Y168 HydrophobicContact CG2-CE2 3.84Å; I134-Y168 HydrophobicContact CG2-CG 4.41Å; I134-Y168 VanDerWaalsContact O-CB 3.22Å; I134-Y168 WeakPolarHBondContact O-CB 3.44Å; I134-Y168 VanDerWaalsContact O-CD1 3.31Å; I134-Y168 WeakPolarHBondContact O-CD1 3.27Å; I134-Y194 HydrophobicContact CD1-CD2 3.71Å; I134-Y194 HydrophobicContact CD1-CE2 4.44Å; I134-Y194 HydrophobicContact CD1-CG 4Å; I134-Y194 HydrophobicContact CG1-CD2 4.47Å; I134-T223 HydrophobicContact CD1-CG2 4.2Å; I134-A239 HydrophobicContact CB-CB 4.22Å; I134-A239 HydrophobicContact CD1-CB 3.75Å; I134-A239 HydrophobicContact CG1-CB 4.21Å; I134-A239 PolarHBondContact N-O 3.47Å; I134-S241 WeakPolarHBondContact CD1-OG 3.26Å
135	K	98.6	Very high	98	Very high	92 Å²	92	49.8 Å²	49.8	40%	0.4	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-12	177.9	65.7	177.4	167.5	74.2	0	113.7	L133 E191 G192	L133-K135 PolarHBondContact O-N 2.94Å; K135-E191 HydrophobicContact CD-CB 4.08Å; K135-E191 HydrophobicContact CD-CG 4.11Å; K135-E191 VanDerWaalsContact CD-OE1 3.31Å; K135-E191 WeakPolarHBondContact CD-OE1 3.49Å; K135-E191 VanDerWaalsContact CE-OE1 3.24Å; K135-E191 WeakPolarHBondContact CE-OE1 3.25Å; K135-G192 WeakPolarHBondContact CG-O 3.41Å; K135-G192 PolarHBondContact N-O 2.91Å
136	G	98.7	Very high	98.1	Very high	20 Å²	20	47.2 Å²	47.2	21%	0.206	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	167.6	-179	0	0	0	0	0	110.5	I134 V193 Y194	I134-G136 WeakPolarHBondContact CG2-O 3.3Å; G136-V193 WeakPolarHBondContact O-CA 3.42Å; G136-Y194 PolarHBondContact O-N 3.49Å
137	H	98.9	Very high	98.2	Very high	36 Å²	36	48.8 Å²	48.8	17%	0.167	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	159.1	174.6	61.7	-124.1	0	0	0	112.5	Y168 Y194 V224	H137-Y168 HydrophobicContact CB-CE2 4.3Å; H137-Y168 WeakPolarHBondContact CB-OH 3.13Å; H137-Y168 AromaticContact ND1-CE2 3.58Å; H137-Y168 AromaticContact ND1-CZ 3.58Å; H137-Y168 PolarHBondContact ND1-OH 3.28Å; H137-Y194 CarbonylContact C-O 3.54Å; H137-Y194 WeakPolarHBondContact CA-O 3.28Å; H137-Y194 VanDerWaalsContact CB-O 3.26Å; H137-Y194 WeakPolarHBondContact CB-O 3.43Å; H137-V224 HydrophobicContact CB-CG2 3.72Å
138	I	98.8	Very high	98.3	Very high	45 Å²	45	42.2 Å²	42.2	23%	0.231	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	113.9	162.3	-67	166.7	0	0	0	107.4	F140 V193 Y194 F196 C216	I138-F140 HydrophobicContact CB-CE2 4.17Å; I138-F140 HydrophobicContact CG2-CD1 4.39Å; I138-F140 HydrophobicContact CG2-CD2 3.89Å; I138-F140 HydrophobicContact CG2-CE1 4.06Å; I138-F140 HydrophobicContact CG2-CE2 3.49Å; I138-F140 VanDerWaalsContact CG2-CE2 3.49Å; I138-F140 HydrophobicContact CG2-CG 4.31Å; I138-F140 HydrophobicContact CG2-CZ 3.59Å; I138-F140 PolarHBondContact O-N 2.9Å; I138-V193 HydrophobicContact CD1-CG1 4.18Å; I138-V193 HydrophobicContact CG1-CG1 4.08Å; I138-Y194 PolarHBondContact N-O 2.89Å; I138-F196 PolarHBondContact O-N 3.43Å; I138-C216 VanDerWaalsContact CD1-SG 3.58Å
139	N	98.8	Very high	98.5	Very high	18 Å²	18	40.5 Å²	40.5	10%	0.096	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	80.1	-175.7	-177	5.3	0	0	0	110.9	G142 L143 N147 F196 V224 I228	N139-G142 WeakPolarHBondContact ND2-CA 3.39Å; N139-G142 WeakPolarHBondContact O-CA 3.28Å; N139-G142 PolarHBondContact O-N 2.98Å; N139-G142 PolarHBondContact OD1-N 3.03Å; N139-L143 WeakPolarHBondContact O-CG 3.27Å; N139-L143 PolarHBondContact O-N 2.74Å; N139-N147 PolarHBondContact ND2-ND2 3.44Å; N139-F196 WeakPolarHBondContact OD1-CD1 3.38Å; N139-V224 HydrophobicContact CB-CG1 3.77Å; N139-I228 WeakPolarHBondContact ND2-CD1 3.36Å
140	F	98.8	Very high	98.6	Very high	66 Å²	66	43.3 Å²	43.3	29%	0.289	25%	0.246	S	C	.	.	H	α-helix	trans	-57.8	-46.8	-178.5	-67.4	-84.9	0	0	0	113.3	I138 G142 L143 G144 A195 L211 L214	I138-F140 HydrophobicContact CB-CE2 4.17Å; I138-F140 HydrophobicContact CG2-CD1 4.39Å; I138-F140 HydrophobicContact CG2-CD2 3.89Å; I138-F140 HydrophobicContact CG2-CE1 4.06Å; I138-F140 HydrophobicContact CG2-CE2 3.49Å; I138-F140 VanDerWaalsContact CG2-CE2 3.49Å; I138-F140 HydrophobicContact CG2-CG 4.31Å; I138-F140 HydrophobicContact CG2-CZ 3.59Å; I138-F140 PolarHBondContact O-N 2.9Å; F140-G142 VanDerWaalsContact C-N 3.26Å; F140-G142 PolarHBondContact O-N 2.99Å; F140-L143 PolarHBondContact O-N 2.85Å; F140-G144 PolarHBondContact O-N 3.09Å; F140-A195 HydrophobicContact CE2-CB 3.92Å; F140-L211 HydrophobicContact CD2-CD2 4.44Å; F140-L211 HydrophobicContact CE1-CD2 4.48Å; F140-L211 HydrophobicContact CE2-CD2 3.36Å; F140-L211 HydrophobicContact CZ-CD2 3.38Å; F140-L214 HydrophobicContact CE1-CD1 4.03Å; F140-L214 HydrophobicContact CZ-CD1 3.84Å
141	P	98.7	Very high	98.6	Very high	22 Å²	22	44.5 Å²	44.5	14%	0.143	26%	0.259	C	S	.	.	H	α-helix	trans	-56.1	-41.7	172.5	-28.9	37.6	0	0	0	112.5	L143 G144 L145 N146 F196	P141-L143 PolarHBondContact O-N 3.26Å; P141-G144 CarbonylContact O-C 3.11Å; P141-G144 PolarHBondContact O-N 3.27Å; P141-G144 VanDerWaalsContact O-N 3.1Å; P141-L145 PolarHBondContact O-N 3.32Å; P141-N146 HydrophobicContact CB-CB 3.99Å; P141-N146 CarbonylContact O-C 3.56Å; P141-N146 VanDerWaalsContact O-CA 3.28Å; P141-N146 WeakPolarHBondContact O-CA 3.37Å; P141-N146 WeakPolarHBondContact O-CB 3.41Å; P141-N146 PolarHBondContact O-N 3.18Å; P141-F196 HydrophobicContact CB-CD1 4.37Å; P141-F196 HydrophobicContact CB-CE1 4.12Å; P141-F196 VanDerWaalsContact CD-O 3.24Å; P141-F196 WeakPolarHBondContact CD-O 3.42Å; P141-F196 HydrophobicContact CG-CD1 3.71Å; P141-F196 HydrophobicContact CG-CE1 3.66Å; P141-F196 HydrophobicContact CG-CG 4.32Å; P141-F196 HydrophobicContact CG-CZ 4.21Å
142	G	98.6	Very high	98.5	Very high	18 Å²	18	49.6 Å²	49.6	19%	0.186	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-39.9	177.8	0	0	0	0	0	114.4	N139 F140 G144	N139-G142 WeakPolarHBondContact ND2-CA 3.39Å; N139-G142 WeakPolarHBondContact O-CA 3.28Å; N139-G142 PolarHBondContact O-N 2.98Å; N139-G142 PolarHBondContact OD1-N 3.03Å; F140-G142 VanDerWaalsContact C-N 3.26Å; F140-G142 PolarHBondContact O-N 2.99Å; G142-G144 VanDerWaalsContact C-N 3.27Å; G142-G144 PolarHBondContact O-N 3.19Å
143	L	98.6	Very high	98.5	Very high	141 Å²	141	50.9 Å²	50.9	74%	0.738	30%	0.299	S	S	*	.	H	α-helix	trans	-66	-31.3	173.5	-64	175.3	0	0	0	111.7	N139 F140 P141 L145	N139-L143 WeakPolarHBondContact O-CG 3.27Å; N139-L143 PolarHBondContact O-N 2.74Å; F140-L143 PolarHBondContact O-N 2.85Å; P141-L143 PolarHBondContact O-N 3.26Å; L143-L145 PolarHBondContact O-N 3.31Å
144	G	98.4	Very high	98.5	Very high	51 Å²	51	51.8 Å²	51.8	53%	0.526	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	32.7	179.4	0	0	0	0	0	115.7	F140 P141 G142 N146	F140-G144 PolarHBondContact O-N 3.09Å; P141-G144 CarbonylContact O-C 3.11Å; P141-G144 PolarHBondContact O-N 3.27Å; P141-G144 VanDerWaalsContact O-N 3.1Å; G142-G144 VanDerWaalsContact C-N 3.27Å; G142-G144 PolarHBondContact O-N 3.19Å; G144-N146 PolarHBondContact O-N 3.22Å
145	L	98.3	Very high	98.5	Very high	142 Å²	142	57.6 Å²	57.6	74%	0.743	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	14.3	-179.5	-77.1	175.8	0	0	0	116.5	P141 L143	P141-L145 PolarHBondContact O-N 3.32Å; L143-L145 PolarHBondContact O-N 3.31Å
146	N	98.4	Very high	98.5	Very high	107 Å²	107	59.2 Å²	59.2	57%	0.572	34%	0.343	S	S	*	.			trans	-108.1	36	170.7	-74.1	-40.3	0	0	0	111.6	P141 G144	P141-N146 HydrophobicContact CB-CB 3.99Å; P141-N146 CarbonylContact O-C 3.56Å; P141-N146 VanDerWaalsContact O-CA 3.28Å; P141-N146 WeakPolarHBondContact O-CA 3.37Å; P141-N146 WeakPolarHBondContact O-CB 3.41Å; P141-N146 PolarHBondContact O-N 3.18Å; G144-N146 PolarHBondContact O-N 3.22Å
147	N	98.8	Very high	98.5	Very high	38 Å²	38	59.1 Å²	59.1	20%	0.203	34%	0.337	C	S	.	.			trans	-68.1	140.1	171.6	-168.6	-64	0	0	0	109.4	N95 N139 L149 V150	N95-N147 PolarHBondContact ND2-O 3.14Å; N139-N147 PolarHBondContact ND2-ND2 3.44Å; N147-L149 PolarHBondContact O-N 3.39Å; N147-L149 PolarHBondContact OD1-N 2.91Å; N147-V150 HydrophobicContact CB-CG2 3.97Å; N147-V150 VanDerWaalsContact O-CB 3.31Å; N147-V150 WeakPolarHBondContact O-CB 3.3Å; N147-V150 WeakPolarHBondContact O-CG2 3.25Å; N147-V150 PolarHBondContact O-N 3.5Å
148	V	98.6	Very high	98.5	Very high	6 Å²	6	58 Å²	58	4%	0.036	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.9	179	72.7	0	0	0	0	113.2	N95 I98 P225 I228 I229	N95-V148 HydrophobicContact CB-CG2 4.35Å; N95-V148 WeakPolarHBondContact CB-O 3.46Å; I98-V148 HydrophobicContact CB-CG2 4.31Å; I98-V148 HydrophobicContact CG2-CG2 4.09Å; V148-P225 HydrophobicContact CB-CB 4.12Å; V148-P225 HydrophobicContact CG1-CB 4.46Å; V148-P225 HydrophobicContact CG2-CB 4.09Å; V148-I228 HydrophobicContact CG1-CB 3.84Å; V148-I228 HydrophobicContact CG1-CG2 3.62Å; V148-I229 HydrophobicContact CB-CD1 4.47Å; V148-I229 HydrophobicContact CG1-CD1 3.73Å; V148-I229 HydrophobicContact CG1-CG1 3.89Å; V148-I229 HydrophobicContact CG2-CD1 4.03Å; V148-I229 HydrophobicContact CG2-CG1 4.03Å
149	L	98.7	Very high	98.5	Very high	28 Å²	28	59.3 Å²	59.3	15%	0.147	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	6.9	175	-67.8	174.5	0	0	0	114.4	N147 G151 P162 I228 I229 H232	N147-L149 PolarHBondContact O-N 3.39Å; N147-L149 PolarHBondContact OD1-N 2.91Å; L149-G151 PolarHBondContact O-N 3.06Å; L149-P162 HydrophobicContact CD1-CG 3.73Å; L149-I228 HydrophobicContact CD1-CG2 3.51Å; L149-I228 HydrophobicContact CG-CG2 3.81Å; L149-I229 HydrophobicContact CD2-CD1 3.54Å; L149-I229 HydrophobicContact CG-CD1 4.15Å; L149-H232 HydrophobicContact CD1-CB 4.18Å; L149-H232 HydrophobicContact CD2-CB 4.45Å
150	V	98.5	Very high	98.4	Very high	63 Å²	63	63.9 Å²	63.9	38%	0.382	36%	0.363	S	S	.	.			trans	-63.7	130.4	170.3	171	0	0	0	0	109.3	N147	N147-V150 HydrophobicContact CB-CG2 3.97Å; N147-V150 VanDerWaalsContact O-CB 3.31Å; N147-V150 WeakPolarHBondContact O-CB 3.3Å; N147-V150 WeakPolarHBondContact O-CG2 3.25Å; N147-V150 PolarHBondContact O-N 3.5Å
151	G	97.6	Very high	98.4	Very high	32 Å²	32	69 Å²	69	33%	0.33	39%	0.386	S	S	.	.	S	Bend	trans	121.4	-175.6	-172.7	0	0	0	0	0	112.4	L149 R160	L149-G151 PolarHBondContact O-N 3.06Å; G151-R160 PolarHBondContact O-NH1 2.77Å
152	P	97.6	Very high	98.4	Very high	106 Å²	106	69.8 Å²	69.8	69%	0.688	39%	0.39	S	S	*	.	S	Bend	trans	-60.2	136.3	175.1	-21.2	33.2	0	0	0	111.3	Q154	P152-Q154 PolarHBondContact O-NE2 3.04Å
153	N	98.6	Very high	98.4	Very high	29 Å²	29	74.3 Å²	74.3	16%	0.155	41%	0.41	C	S	.	.			trans	-66.8	148.6	174.5	-168.2	49.3	0	0	0	110.1	D155 G158 P159 H232	N153-D155 PolarHBondContact ND2-OD1 3.27Å; N153-G158 PolarHBondContact ND2-O 3.19Å; N153-P159 PolarHBondContact OD1-O 3.15Å; N153-H232 PolarHBondContact OD1-CE1 3.36Å; N153-H232 PolarHBondContact OD1-NE2 3.37Å; N153-H232 VanDerWaalsContact OD1-NE2 3.14Å
154	Q	98.3	Very high	98.4	Very high	27 Å²	27	70.5 Å²	70.5	13%	0.126	39%	0.39	C	S	.	.			trans	-105	93.3	168.6	-54.2	-56.1	-61.1	0	0	106.6	N8 R103 P152 E156 F157 G158	N8-Q154 VanDerWaalsContact CA-OE1 3.26Å; R103-Q154 VanDerWaalsContact NH1-CG 3.32Å; P152-Q154 PolarHBondContact O-NE2 3.04Å; Q154-E156 PolarHBondContact O-N 2.91Å; Q154-F157 HydrophobicContact CB-CD2 3.86Å; Q154-F157 PolarHBondContact O-N 3.49Å; Q154-G158 PolarHBondContact O-N 3.49Å
155	D	98.2	Very high	98.3	Very high	122 Å²	122	72.3 Å²	72.3	65%	0.652	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-25	-168.4	-65.7	-52.8	0	0	0	112.7	N153 F157	N153-D155 PolarHBondContact ND2-OD1 3.27Å; D155-F157 PolarHBondContact O-N 3.04Å
156	E	98.5	Very high	98.1	Very high	127 Å²	127	70.8 Å²	70.8	59%	0.593	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-22.4	174.4	-58.4	88.4	163	0	0	113.1	Y9 Q154	Y9-E156 HydrophobicContact CD2-CB 4Å; Y9-E156 HydrophobicContact CD2-CG 4.47Å; Y9-E156 HydrophobicContact CG-CB 4.18Å; Y9-E156 HydrophobicContact CG-CG 4.21Å; Q154-E156 PolarHBondContact O-N 2.91Å
157	F	98.7	Very high	98.1	Very high	17 Å²	17	65.9 Å²	65.9	8%	0.075	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-40.3	177.8	-73.6	-71.6	0	0	0	112.6	Y9 A12 R103 L107 Q154 D155 C233	Y9-F157 HydrophobicContact CD2-CZ 4.37Å; A12-F157 HydrophobicContact CB-CZ 3.86Å; R103-F157 HydrophobicContact CB-CD1 4.1Å; R103-F157 HydrophobicContact CB-CE1 3.55Å; R103-F157 HydrophobicContact CB-CE2 4.16Å; R103-F157 HydrophobicContact CB-CZ 3.59Å; R103-F157 HydrophobicContact CG-CD1 3.73Å; R103-F157 HydrophobicContact CG-CD2 4.07Å; R103-F157 HydrophobicContact CG-CE1 3.73Å; R103-F157 HydrophobicContact CG-CE2 4.05Å; R103-F157 HydrophobicContact CG-CG 3.92Å; R103-F157 HydrophobicContact CG-CZ 3.89Å; L107-F157 HydrophobicContact CD1-CZ 4.24Å; L107-F157 HydrophobicContact CD2-CE1 4.22Å; L107-F157 HydrophobicContact CG-CE1 4.15Å; L107-F157 HydrophobicContact CG-CZ 4.38Å; Q154-F157 HydrophobicContact CB-CD2 3.86Å; Q154-F157 PolarHBondContact O-N 3.49Å; D155-F157 PolarHBondContact O-N 3.04Å; F157-C233 HydrophobicContact CB-CB 4.27Å; F157-C233 HydrophobicContact CD1-CB 4.27Å; F157-C233 VanDerWaalsContact O-CA 3.24Å; F157-C233 WeakPolarHBondContact O-CA 3.33Å
158	G	98.4	Very high	98.1	Very high	13 Å²	13	64.5 Å²	64.5	13%	0.134	35%	0.354	C	S	.	.			trans	179.8	177.8	-174.6	0	0	0	0	0	114.6	N153 Q154 H232	N153-G158 PolarHBondContact ND2-O 3.19Å; Q154-G158 PolarHBondContact O-N 3.49Å; G158-H232 WeakPolarHBondContact CA-NE2 3.32Å; G158-H232 WeakPolarHBondContact CA-O 3.47Å; G158-H232 PolarHBondContact O-NE2 3.44Å
159	P	98.5	Very high	98.1	Very high	73 Å²	73	65.4 Å²	65.4	47%	0.474	36%	0.359	S	S	.	.			trans	-71.4	158.6	-174.3	31.1	-36.7	0	0	0	112.7	N153 F161 P162 H232	N153-P159 PolarHBondContact OD1-O 3.15Å; P159-F161 VanDerWaalsContact C-N 3.26Å; P159-F161 PolarHBondContact O-N 3.39Å; P159-P162 HydrophobicContact CG-CG 4.49Å; P159-H232 PolarHBondContact O-CD2 3.5Å; P159-H232 VanDerWaalsContact O-CD2 3.27Å; P159-H232 PolarHBondContact O-NE2 2.97Å
160	R	98.5	Very high	98	Very high	113 Å²	113	72.1 Å²	72.1	43%	0.426	38%	0.382	S	S	.	.	S	Bend	trans	-59.1	-33.9	174.2	175.4	64.4	-129.6	178.5	7.6	113.8	G151	G151-R160 PolarHBondContact O-NH1 2.77Å
161	F	98.5	Very high	98	Very high	175 Å²	175	74.5 Å²	74.5	77%	0.768	39%	0.392	S	S	*	.	S	Bend	trans	-128.3	88.3	-176.5	-55.7	-71.3	0	0	0	109.5	P159	P159-F161 VanDerWaalsContact C-N 3.26Å; P159-F161 PolarHBondContact O-N 3.39Å
162	P	98.3	Very high	98	Very high	37 Å²	37	73.4 Å²	73.4	24%	0.24	38%	0.379	C	S	.	.			trans	-74.5	141.6	-177	-17.2	34	0	0	0	111.8	L149 P159 H232	L149-P162 HydrophobicContact CD1-CG 3.73Å; P159-P162 HydrophobicContact CG-CG 4.49Å; P162-H232 HydrophobicContact CG-CB 4.39Å
163	D	98.2	Very high	98.1	Very high	114 Å²	114	69.5 Å²	69.5	61%	0.61	35%	0.351	S	S	*	.			trans	-84.9	125.8	169.1	177.2	21.3	0	0	0	110.1	S165 C231	D163-S165 WeakPolarHBondContact OD1-CB 3.48Å; D163-S165 PolarHBondContact OD1-N 2.99Å; D163-S165 PolarHBondContact OD1-OG 3.32Å; D163-S165 PolarHBondContact OD2-OG 3.31Å; D163-C231 PolarHBondContact O-SG 3.14Å; D163-C231 VanDerWaalsContact O-SG 3.42Å
164	L	98.3	Very high	98.1	Very high	60 Å²	60	74 Å²	74	31%	0.314	37%	0.371	S	S	.	.			trans	-100.3	7.4	179.2	-57.8	-179.8	0	0	0	113	N166 A167 I228 C231	L164-N166 PolarHBondContact O-N 3.36Å; L164-N166 VanDerWaalsContact O-N 3.11Å; L164-A167 HydrophobicContact CB-CB 4.14Å; L164-A167 HydrophobicContact CD2-CB 4.35Å; L164-A167 VanDerWaalsContact O-CB 3.27Å; L164-A167 WeakPolarHBondContact O-CB 3.46Å; L164-A167 PolarHBondContact O-N 3.32Å; L164-I228 HydrophobicContact CD1-CG1 4.19Å; L164-I228 HydrophobicContact CD2-CG1 4.43Å; L164-C231 HydrophobicContact CD2-CB 4.03Å
165	S	96.8	Very high	98.1	Very high	90 Å²	90	74.2 Å²	74.2	63%	0.629	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-31	-173.5	-65.2	0	0	0	0	114.5	D163	D163-S165 WeakPolarHBondContact OD1-CB 3.48Å; D163-S165 PolarHBondContact OD1-N 2.99Å; D163-S165 PolarHBondContact OD1-OG 3.32Å; D163-S165 PolarHBondContact OD2-OG 3.31Å
166	N	94.3	Very high	98.1	Very high	109 Å²	109	68.4 Å²	68.4	58%	0.583	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	35.3	173.8	-69.6	-40.5	0	0	0	111.2	L164 Y168	L164-N166 PolarHBondContact O-N 3.36Å; L164-N166 VanDerWaalsContact O-N 3.11Å; N166-Y168 PolarHBondContact O-N 3.19Å; N166-Y168 VanDerWaalsContact O-N 3.17Å
167	A	98.4	Very high	98.1	Very high	5 Å²	5	65.1 Å²	65.1	4%	0.041	33%	0.328	C	S	.	.	S	Bend	trans	-56.5	-31.6	179.7	0	0	0	0	0	112.4	L164 V227 C231 V237	L164-A167 HydrophobicContact CB-CB 4.14Å; L164-A167 HydrophobicContact CD2-CB 4.35Å; L164-A167 VanDerWaalsContact O-CB 3.27Å; L164-A167 WeakPolarHBondContact O-CB 3.46Å; L164-A167 PolarHBondContact O-N 3.32Å; A167-V227 HydrophobicContact CB-CG1 4.19Å; A167-C231 HydrophobicContact CB-CB 4.49Å; A167-V237 WeakPolarHBondContact O-CB 3.22Å
168	Y	98.7	Very high	98.1	Very high	9 Å²	9	69.1 Å²	69.1	4%	0.035	35%	0.346	C	S	.	.	S	Bend	trans	-105	113.1	171.9	-54.7	-81.5	0	0	0	108.9	I134 H137 N166 R170 Q173 V227 V237 A239	I134-Y168 HydrophobicContact CB-CD1 4.08Å; I134-Y168 HydrophobicContact CB-CE1 3.85Å; I134-Y168 HydrophobicContact CG2-CD1 4.03Å; I134-Y168 HydrophobicContact CG2-CD2 4.33Å; I134-Y168 HydrophobicContact CG2-CE1 3.5Å; I134-Y168 HydrophobicContact CG2-CE2 3.84Å; I134-Y168 HydrophobicContact CG2-CG 4.41Å; I134-Y168 VanDerWaalsContact O-CB 3.22Å; I134-Y168 WeakPolarHBondContact O-CB 3.44Å; I134-Y168 VanDerWaalsContact O-CD1 3.31Å; I134-Y168 WeakPolarHBondContact O-CD1 3.27Å; H137-Y168 HydrophobicContact CB-CE2 4.3Å; H137-Y168 WeakPolarHBondContact CB-OH 3.13Å; H137-Y168 AromaticContact ND1-CE2 3.58Å; H137-Y168 AromaticContact ND1-CZ 3.58Å; H137-Y168 PolarHBondContact ND1-OH 3.28Å; N166-Y168 PolarHBondContact O-N 3.19Å; N166-Y168 VanDerWaalsContact O-N 3.17Å; Y168-R170 PolarHBondContact O-N 3.46Å; Y168-Q173 PolarHBondContact O-NE2 3.17Å; Y168-V227 HydrophobicContact CE1-CG1 3.95Å; Y168-V227 HydrophobicContact CE1-CG2 3.99Å; Y168-V237 HydrophobicContact CD1-CG1 4.33Å; Y168-A239 HydrophobicContact CD1-CB 4.15Å; Y168-A239 HydrophobicContact CE1-CB 3.91Å
169	D	98.4	Very high	98.1	Very high	24 Å²	24	68.5 Å²	68.5	13%	0.128	34%	0.339	C	S	.	.			trans	-69.4	125.7	-170.6	-177	-67.3	0	0	0	110.4	L171 L172 Q173 K236 V237	D169-L171 PolarHBondContact O-N 3.01Å; D169-L171 WeakPolarHBondContact OD1-CA 3.34Å; D169-L171 WeakPolarHBondContact OD1-CB 3.32Å; D169-L171 PolarHBondContact OD1-N 2.88Å; D169-L172 HydrophobicContact CB-CB 4.13Å; D169-L172 HydrophobicContact CB-CD1 3.86Å; D169-L172 HydrophobicContact CB-CG 3.78Å; D169-L172 PolarHBondContact O-N 2.74Å; D169-L172 PolarHBondContact OD1-N 3.45Å; D169-Q173 WeakPolarHBondContact O-CG 3.48Å; D169-Q173 PolarHBondContact O-N 3.08Å; D169-Q173 VanDerWaalsContact O-N 3.13Å; D169-Q173 PolarHBondContact O-NE2 2.93Å; D169-Q173 VanDerWaalsContact O-NE2 3.16Å; D169-K236 HydrophobicContact CB-CB 4.34Å; D169-K236 WeakPolarHBondContact OD2-CD 3.48Å; D169-K236 WeakPolarHBondContact OD2-CE 3.14Å; D169-K236 IonicContact OD2-NZ 3.83Å; D169-K236 PolarHBondContact OD2-NZ 2.82Å; D169-V237 PolarHBondContact N-O 2.78Å
170	R	97.7	Very high	98.1	Very high	169 Å²	169	65 Å²	65	64%	0.638	32%	0.317	S	S	*	.	H	α-helix	trans	-68.5	-33.9	-175.3	-64.1	-175.7	-173	-176.7	1	112.6	Y168 Q173 Q174	Y168-R170 PolarHBondContact O-N 3.46Å; R170-Q173 PolarHBondContact O-N 3.29Å; R170-Q174 VanDerWaalsContact O-CG 3.26Å; R170-Q174 WeakPolarHBondContact O-CG 3.29Å; R170-Q174 PolarHBondContact O-N 2.86Å
171	L	97.6	Very high	98.1	Very high	114 Å²	114	64.5 Å²	64.5	60%	0.597	32%	0.319	S	S	*	.	H	α-helix	trans	-71.2	-36.6	178.5	-63.6	175.4	0	0	0	110.5	D169 Q174 L175	D169-L171 PolarHBondContact O-N 3.01Å; D169-L171 WeakPolarHBondContact OD1-CA 3.34Å; D169-L171 WeakPolarHBondContact OD1-CB 3.32Å; D169-L171 PolarHBondContact OD1-N 2.88Å; L171-Q174 PolarHBondContact O-N 3.36Å; L171-L175 WeakPolarHBondContact O-CB 3.34Å; L171-L175 PolarHBondContact O-N 3.12Å
172	L	98.3	Very high	98.1	Very high	9 Å²	9	60.1 Å²	60.1	5%	0.047	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-41.4	173.4	-61.8	-172.7	0	0	0	112.1	V112 D169 L175 A176 K236 L238 L284	V112-L172 HydrophobicContact CG1-CD1 3.75Å; D169-L172 HydrophobicContact CB-CB 4.13Å; D169-L172 HydrophobicContact CB-CD1 3.86Å; D169-L172 HydrophobicContact CB-CG 3.78Å; D169-L172 PolarHBondContact O-N 2.74Å; D169-L172 PolarHBondContact OD1-N 3.45Å; L172-L175 PolarHBondContact O-N 3.32Å; L172-A176 WeakPolarHBondContact O-CB 3.46Å; L172-A176 PolarHBondContact O-N 3.04Å; L172-K236 HydrophobicContact CD1-CB 4.16Å; L172-L238 HydrophobicContact CB-CB 4.05Å; L172-L238 HydrophobicContact CB-CD1 4.28Å; L172-L238 HydrophobicContact CD1-CB 4.06Å; L172-L284 HydrophobicContact CD2-CD2 3.3Å
173	Q	98.5	Very high	98.1	Very high	24 Å²	24	61.6 Å²	61.6	11%	0.112	31%	0.307	C	S	.	.	H	α-helix	trans	-63.7	-43.9	175.2	-71.5	168.2	68.9	0	0	111.9	Y168 D169 R170 L175 A176 L177 L238	Y168-Q173 PolarHBondContact O-NE2 3.17Å; D169-Q173 WeakPolarHBondContact O-CG 3.48Å; D169-Q173 PolarHBondContact O-N 3.08Å; D169-Q173 VanDerWaalsContact O-N 3.13Å; D169-Q173 PolarHBondContact O-NE2 2.93Å; D169-Q173 VanDerWaalsContact O-NE2 3.16Å; R170-Q173 PolarHBondContact O-N 3.29Å; Q173-L175 PolarHBondContact O-N 2.95Å; Q173-A176 PolarHBondContact O-N 2.98Å; Q173-L177 WeakPolarHBondContact O-CB 3.48Å; Q173-L177 PolarHBondContact O-N 3.4Å; Q173-L238 HydrophobicContact CG-CD1 4.06Å
174	Q	98.4	Very high	98.1	Very high	123 Å²	123	62.8 Å²	62.8	58%	0.575	31%	0.313	S	S	*	.	H	α-helix	trans	-61.8	-42.6	176	-73.8	171.2	5.7	0	0	112	R170 L171 L177 K178	R170-Q174 VanDerWaalsContact O-CG 3.26Å; R170-Q174 WeakPolarHBondContact O-CG 3.29Å; R170-Q174 PolarHBondContact O-N 2.86Å; L171-Q174 PolarHBondContact O-N 3.36Å; Q174-L177 PolarHBondContact O-N 3.35Å; Q174-K178 VanDerWaalsContact O-CB 3.28Å; Q174-K178 WeakPolarHBondContact O-CB 3.4Å; Q174-K178 PolarHBondContact O-N 3.22Å
175	L	98.5	Very high	98.1	Very high	32 Å²	32	60.4 Å²	60.4	17%	0.168	30%	0.301	C	S	.	.	H	α-helix	trans	-61.1	-47.6	175.1	176.7	61.9	0	0	0	111.3	L171 L172 Q173 L177 K178 I179 R283 L284	L171-L175 WeakPolarHBondContact O-CB 3.34Å; L171-L175 PolarHBondContact O-N 3.12Å; L172-L175 PolarHBondContact O-N 3.32Å; Q173-L175 PolarHBondContact O-N 2.95Å; L175-L177 PolarHBondContact O-N 2.81Å; L175-K178 PolarHBondContact O-N 2.98Å; L175-I179 HydrophobicContact CD1-CD1 3.92Å; L175-I179 HydrophobicContact CD1-CG1 4.3Å; L175-I179 HydrophobicContact CG-CD1 3.96Å; L175-I179 WeakPolarHBondContact O-CG1 3.38Å; L175-I179 PolarHBondContact O-N 3.17Å; L175-R283 HydrophobicContact CD1-CB 3.96Å; L175-R283 HydrophobicContact CD2-CB 4.32Å; L175-L284 HydrophobicContact CD2-CD2 4.2Å
176	A	98.5	Very high	98.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-46.1	178.6	0	0	0	0	0	111.6	L133 L172 Q173 I179 A180 L238 W276 I280	L133-A176 HydrophobicContact CD2-CB 3.71Å; L172-A176 WeakPolarHBondContact O-CB 3.46Å; L172-A176 PolarHBondContact O-N 3.04Å; Q173-A176 PolarHBondContact O-N 2.98Å; A176-I179 PolarHBondContact O-N 3.49Å; A176-A180 PolarHBondContact O-N 2.91Å; A176-A180 VanDerWaalsContact O-N 3.08Å; A176-L238 HydrophobicContact CB-CD1 4.34Å; A176-L238 HydrophobicContact CB-CD2 4.05Å; A176-W276 HydrophobicContact CB-CZ2 3.87Å; A176-W276 PolarHBondContact O-NE1 3.26Å; A176-I280 HydrophobicContact CB-CD1 3.77Å; A176-I280 HydrophobicContact CB-CG1 4.25Å
177	L	98.6	Very high	98.4	Very high	58 Å²	58	59.5 Å²	59.5	30%	0.304	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-41.8	176.3	-177.9	62.5	0	0	0	112.2	L133 Q173 Q174 L175 I179 A180 Q181 V189	L133-L177 HydrophobicContact CD1-CB 4.12Å; Q173-L177 WeakPolarHBondContact O-CB 3.48Å; Q173-L177 PolarHBondContact O-N 3.4Å; Q174-L177 PolarHBondContact O-N 3.35Å; L175-L177 PolarHBondContact O-N 2.81Å; L177-I179 VanDerWaalsContact C-N 3.32Å; L177-I179 PolarHBondContact O-N 3.1Å; L177-A180 WeakPolarHBondContact O-CB 3.44Å; L177-A180 PolarHBondContact O-N 3.07Å; L177-A180 VanDerWaalsContact O-N 3.14Å; L177-Q181 WeakPolarHBondContact O-CG 3.47Å; L177-Q181 PolarHBondContact O-N 3.49Å; L177-V189 HydrophobicContact CD1-CB 4.24Å; L177-V189 HydrophobicContact CD1-CG1 3.96Å
178	K	98.6	Very high	98.4	Very high	101 Å²	101	60.7 Å²	60.7	44%	0.439	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-43.2	176.5	-179.5	172.7	-175.8	-77.2	0	111.5	Q174 L175 A180 Q181 E182	Q174-K178 VanDerWaalsContact O-CB 3.28Å; Q174-K178 WeakPolarHBondContact O-CB 3.4Å; Q174-K178 PolarHBondContact O-N 3.22Å; L175-K178 PolarHBondContact O-N 2.98Å; K178-A180 VanDerWaalsContact C-N 3.31Å; K178-A180 PolarHBondContact O-N 3.31Å; K178-Q181 WeakPolarHBondContact O-CB 3.5Å; K178-Q181 PolarHBondContact O-N 3.37Å; K178-E182 IonicContact NZ-OE1 2.65Å; K178-E182 PolarHBondContact NZ-OE1 2.97Å; K178-E182 VanDerWaalsContact O-CG 3.28Å; K178-E182 WeakPolarHBondContact O-CG 3.48Å; K178-E182 PolarHBondContact O-N 3.46Å
179	I	98.6	Very high	98.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.3	-37.9	176.3	-68.5	164.2	0	0	0	111	L175 A176 L177 Q181 E182 N183 E279 I280 R283	L175-I179 HydrophobicContact CD1-CD1 3.92Å; L175-I179 HydrophobicContact CD1-CG1 4.3Å; L175-I179 HydrophobicContact CG-CD1 3.96Å; L175-I179 WeakPolarHBondContact O-CG1 3.38Å; L175-I179 PolarHBondContact O-N 3.17Å; A176-I179 PolarHBondContact O-N 3.49Å; L177-I179 VanDerWaalsContact C-N 3.32Å; L177-I179 PolarHBondContact O-N 3.1Å; I179-Q181 VanDerWaalsContact C-N 3.33Å; I179-Q181 PolarHBondContact O-N 3.47Å; I179-E182 PolarHBondContact O-N 3.46Å; I179-N183 PolarHBondContact O-N 3.32Å; I179-N183 PolarHBondContact O-ND2 2.97Å; I179-E279 HydrophobicContact CD1-CB 4.4Å; I179-E279 HydrophobicContact CD1-CG 4.1Å; I179-E279 HydrophobicContact CG1-CG 4.16Å; I179-E279 HydrophobicContact CG2-CB 3.84Å; I179-E279 HydrophobicContact CG2-CG 3.7Å; I179-I280 HydrophobicContact CD1-CB 4.18Å; I179-I280 HydrophobicContact CD1-CG1 3.6Å; I179-R283 HydrophobicContact CD1-CB 4.44Å
180	A	98.7	Very high	98.4	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.4	-37.9	175.3	0	0	0	0	0	112.9	A176 L177 K178 N183 D184 F185 Q186 V189 W276	A176-A180 PolarHBondContact O-N 2.91Å; A176-A180 VanDerWaalsContact O-N 3.08Å; L177-A180 WeakPolarHBondContact O-CB 3.44Å; L177-A180 PolarHBondContact O-N 3.07Å; L177-A180 VanDerWaalsContact O-N 3.14Å; K178-A180 VanDerWaalsContact C-N 3.31Å; K178-A180 PolarHBondContact O-N 3.31Å; A180-N183 PolarHBondContact O-N 3.41Å; A180-D184 PolarHBondContact O-N 3.32Å; A180-F185 VanDerWaalsContact CA-CZ 3.46Å; A180-F185 HydrophobicContact CB-CD1 4.5Å; A180-F185 HydrophobicContact CB-CD2 3.85Å; A180-F185 HydrophobicContact CB-CE1 4.17Å; A180-F185 HydrophobicContact CB-CE2 3.43Å; A180-F185 VanDerWaalsContact CB-CE2 3.43Å; A180-F185 HydrophobicContact CB-CG 4.36Å; A180-F185 HydrophobicContact CB-CZ 3.61Å; A180-F185 PolarHBondContact O-N 3.08Å; A180-Q186 HydrophobicContact CB-CB 4.48Å; A180-Q186 PolarHBondContact O-N 3.42Å; A180-Q186 PolarHBondContact O-OE1 3.49Å; A180-V189 HydrophobicContact CB-CB 4.43Å; A180-V189 HydrophobicContact CB-CG2 3.66Å; A180-W276 HydrophobicContact CB-CZ2 4.35Å
181	Q	98.6	Very high	98.4	Very high	102 Å²	102	60.6 Å²	60.6	48%	0.477	30%	0.299	S	S	.	.	H	α-helix	trans	-66.6	-41.7	174	-69	168.4	-8.3	0	0	112.3	L177 K178 I179 N183 D184 Q186	L177-Q181 WeakPolarHBondContact O-CG 3.47Å; L177-Q181 PolarHBondContact O-N 3.49Å; K178-Q181 WeakPolarHBondContact O-CB 3.5Å; K178-Q181 PolarHBondContact O-N 3.37Å; I179-Q181 VanDerWaalsContact C-N 3.33Å; I179-Q181 PolarHBondContact O-N 3.47Å; Q181-N183 PolarHBondContact O-N 3.17Å; Q181-D184 PolarHBondContact O-N 3.47Å; Q181-Q186 HydrophobicContact CB-CB 4.39Å; Q181-Q186 HydrophobicContact CG-CB 3.61Å; Q181-Q186 HydrophobicContact CG-CG 4.03Å
182	E	98.6	Very high	98.4	Very high	83 Å²	83	55.1 Å²	55.1	39%	0.388	27%	0.27	S	S	.	.	H	α-helix	trans	-68.5	-16.1	179.4	-71.9	168.4	160.6	0	0	113.7	K178 I179 R283	K178-E182 IonicContact NZ-OE1 2.65Å; K178-E182 PolarHBondContact NZ-OE1 2.97Å; K178-E182 VanDerWaalsContact O-CG 3.28Å; K178-E182 WeakPolarHBondContact O-CG 3.48Å; K178-E182 PolarHBondContact O-N 3.46Å; I179-E182 PolarHBondContact O-N 3.46Å; E182-R283 VanDerWaalsContact CD-NH1 3.28Å; E182-R283 IonicContact OE1-NH1 3.03Å; E182-R283 PolarHBondContact OE1-NH1 3.2Å; E182-R283 IonicContact OE2-CZ 2.65Å; E182-R283 IonicContact OE2-NH1 2.98Å; E182-R283 PolarHBondContact OE2-NH1 3.2Å; E182-R283 IonicContact OE2-NH2 3.02Å
183	N	98.3	Very high	98.5	Very high	68 Å²	68	56 Å²	56	36%	0.364	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	17.9	-179	-70.1	-88.2	0	0	0	112.5	I179 A180 Q181 F185 M275	I179-N183 PolarHBondContact O-N 3.32Å; I179-N183 PolarHBondContact O-ND2 2.97Å; A180-N183 PolarHBondContact O-N 3.41Å; Q181-N183 PolarHBondContact O-N 3.17Å; N183-F185 HydrophobicContact CB-CD1 3.67Å; N183-F185 HydrophobicContact CB-CE1 3.59Å; N183-F185 PolarHBondContact O-N 3.12Å; N183-M275 HydrophobicContact CB-CE 4.06Å
184	D	98	Very high	98.5	Very high	139 Å²	139	54.8 Å²	54.8	74%	0.743	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	37.1	173.4	-61.6	-48.3	0	0	0	115.5	A180 Q181	A180-D184 PolarHBondContact O-N 3.32Å; Q181-D184 PolarHBondContact O-N 3.47Å
185	F	98.5	Very high	98.5	Very high	10 Å²	10	49 Å²	49	4%	0.044	24%	0.243	C	C	.	.			trans	-129.4	15.6	173.7	72.5	-91.4	0	0	0	114.1	A180 N183 D187 L188 V189 L272 M275 W276	A180-F185 VanDerWaalsContact CA-CZ 3.46Å; A180-F185 HydrophobicContact CB-CD1 4.5Å; A180-F185 HydrophobicContact CB-CD2 3.85Å; A180-F185 HydrophobicContact CB-CE1 4.17Å; A180-F185 HydrophobicContact CB-CE2 3.43Å; A180-F185 VanDerWaalsContact CB-CE2 3.43Å; A180-F185 HydrophobicContact CB-CG 4.36Å; A180-F185 HydrophobicContact CB-CZ 3.61Å; A180-F185 PolarHBondContact O-N 3.08Å; N183-F185 HydrophobicContact CB-CD1 3.67Å; N183-F185 HydrophobicContact CB-CE1 3.59Å; N183-F185 PolarHBondContact O-N 3.12Å; F185-D187 WeakPolarHBondContact CA-OD1 3.24Å; F185-D187 PolarHBondContact O-N 3.25Å; F185-D187 VanDerWaalsContact O-N 3.14Å; F185-L188 HydrophobicContact CB-CD1 4.37Å; F185-L188 WeakPolarHBondContact O-CB 3.44Å; F185-L188 PolarHBondContact O-N 3.39Å; F185-V189 HydrophobicContact CD2-CG2 3.97Å; F185-V189 HydrophobicContact CE2-CG2 3.93Å; F185-L272 HydrophobicContact CD1-CD1 3.88Å; F185-L272 HydrophobicContact CD2-CD1 4.36Å; F185-L272 HydrophobicContact CD2-CD2 4.33Å; F185-L272 HydrophobicContact CE1-CD1 4.03Å; F185-L272 HydrophobicContact CG-CD1 4.05Å; F185-L272 HydrophobicContact CG-CD2 4.41Å; F185-L272 HydrophobicContact CZ-CD1 4.36Å; F185-M275 HydrophobicContact CD1-CE 4.44Å; F185-M275 HydrophobicContact CE1-CE 3.81Å; F185-W276 AromaticContact CE2-CD2 3.82Å; F185-W276 HydrophobicContact CE2-CD2 3.82Å; F185-W276 HydrophobicContact CE2-CE3 4.11Å; F185-W276 HydrophobicContact CE2-CG 4.04Å; F185-W276 HydrophobicContact CZ-CB 3.89Å; F185-W276 AromaticContact CZ-CD1 3.64Å; F185-W276 AromaticContact CZ-CD2 3.82Å; F185-W276 HydrophobicContact CZ-CD2 3.82Å; F185-W276 HydrophobicContact CZ-CE3 4.5Å; F185-W276 AromaticContact CZ-CG 3.53Å; F185-W276 HydrophobicContact CZ-CG 3.53Å; F185-W276 AromaticContact CZ-NE1 3.91Å
186	Q	98.3	Very high	98.5	Very high	73 Å²	73	47.6 Å²	47.6	34%	0.341	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-58.3	-23.5	177.7	70.4	-69.1	-30.6	0	0	114.1	A180 Q181 L188 V189	A180-Q186 HydrophobicContact CB-CB 4.48Å; A180-Q186 PolarHBondContact O-N 3.42Å; A180-Q186 PolarHBondContact O-OE1 3.49Å; Q181-Q186 HydrophobicContact CB-CB 4.39Å; Q181-Q186 HydrophobicContact CG-CB 3.61Å; Q181-Q186 HydrophobicContact CG-CG 4.03Å; Q186-L188 PolarHBondContact O-N 3.41Å; Q186-V189 PolarHBondContact O-N 3Å
187	D	98.1	Very high	98.5	Very high	107 Å²	107	49.5 Å²	49.5	57%	0.572	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-66.7	-19.7	176.6	63.9	-56.8	0	0	0	112.9	F185	F185-D187 WeakPolarHBondContact CA-OD1 3.24Å; F185-D187 PolarHBondContact O-N 3.25Å; F185-D187 VanDerWaalsContact O-N 3.14Å
188	L	98.1	Very high	98.5	Very high	30 Å²	30	48.1 Å²	48.1	16%	0.157	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-89.3	-8.4	172.6	-55.8	-179.3	0	0	0	112.9	F131 F185 Q186 L272	F131-L188 HydrophobicContact CD2-CB 4.27Å; F131-L188 PolarHBondContact N-O 2.97Å; F185-L188 HydrophobicContact CB-CD1 4.37Å; F185-L188 WeakPolarHBondContact O-CB 3.44Å; F185-L188 PolarHBondContact O-N 3.39Å; Q186-L188 PolarHBondContact O-N 3.41Å; L188-L272 HydrophobicContact CD1-CD2 4.04Å
189	V	98.6	Very high	98.4	Very high	13 Å²	13	44.5 Å²	44.5	8%	0.079	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.7	-171	-176.6	0	0	0	0	110.7	F131 L133 L177 A180 F185 Q186 W276	F131-V189 HydrophobicContact CB-CG2 4.47Å; F131-V189 HydrophobicContact CD2-CG2 4.39Å; L133-V189 HydrophobicContact CD1-CG1 3.69Å; L133-V189 HydrophobicContact CG-CG1 3.94Å; L177-V189 HydrophobicContact CD1-CB 4.24Å; L177-V189 HydrophobicContact CD1-CG1 3.96Å; A180-V189 HydrophobicContact CB-CB 4.43Å; A180-V189 HydrophobicContact CB-CG2 3.66Å; F185-V189 HydrophobicContact CD2-CG2 3.97Å; F185-V189 HydrophobicContact CE2-CG2 3.93Å; Q186-V189 PolarHBondContact O-N 3Å; V189-W276 HydrophobicContact CG1-CH2 3.85Å; V189-W276 HydrophobicContact CG1-CZ2 4.12Å; V189-W276 HydrophobicContact CG2-CH2 3.83Å; V189-W276 HydrophobicContact CG2-CZ2 4.09Å; V189-W276 HydrophobicContact CG2-CZ3 4.38Å
190	H	98.6	Very high	98.2	Very high	58 Å²	58	48.9 Å²	48.9	27%	0.269	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	167.7	177.5	-58.9	-89	0	0	0	110.8	L126 D130 F131 V132 L133	L126-H190 HydrophobicContact CD2-CB 3.89Å; D130-H190 IonicContact OD2-CD2 3.88Å; D130-H190 IonicContact OD2-NE2 3.39Å; D130-H190 PolarHBondContact OD2-NE2 3.09Å; F131-H190 PolarHBondContact O-N 3.3Å; V132-H190 CarbonylContact C-O 3.46Å; V132-H190 WeakPolarHBondContact CA-O 3.19Å; V132-H190 HydrophobicContact CG2-CB 4.21Å; L133-H190 PolarHBondContact N-O 3.5Å
191	E	98.5	Very high	98.1	Very high	128 Å²	128	53.6 Å²	53.6	60%	0.598	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	147.5	166.8	62	173.7	-116.5	0	0	109.9	L133 K135	L133-E191 WeakPolarHBondContact O-CA 3.42Å; K135-E191 HydrophobicContact CD-CB 4.08Å; K135-E191 HydrophobicContact CD-CG 4.11Å; K135-E191 VanDerWaalsContact CD-OE1 3.31Å; K135-E191 WeakPolarHBondContact CD-OE1 3.49Å; K135-E191 VanDerWaalsContact CE-OE1 3.24Å; K135-E191 WeakPolarHBondContact CE-OE1 3.25Å
192	G	98.5	Very high	97.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	166.1	-177.1	0	0	0	0	0	116.7	L133 K135 D217	L133-G192 PolarHBondContact O-N 3.06Å; K135-G192 WeakPolarHBondContact CG-O 3.41Å; K135-G192 PolarHBondContact N-O 2.91Å; G192-D217 WeakPolarHBondContact CA-OD2 3.37Å
193	V	98.8	Very high	97.9	Very high	26 Å²	26	49.7 Å²	49.7	16%	0.158	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.1	174	179.9	0	0	0	0	109.9	G136 I138 D217 V218	G136-V193 WeakPolarHBondContact O-CA 3.42Å; I138-V193 HydrophobicContact CD1-CG1 4.18Å; I138-V193 HydrophobicContact CG1-CG1 4.08Å; V193-D217 PolarHBondContact N-OD2 2.99Å; V193-D217 PolarHBondContact O-N 3.23Å; V193-V218 PolarHBondContact O-N 3.32Å; V193-V218 VanDerWaalsContact O-N 3.16Å
194	Y	98.9	Very high	97.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.4	177.9	-174.3	-82.4	0	0	0	112	N117 A119 I134 G136 H137 I138 F196 V218 G220 M221 S222 V224 S241	N117-Y194 WeakPolarHBondContact ND2-CE2 3.28Å; A119-Y194 HydrophobicContact CB-CE2 4.19Å; I134-Y194 HydrophobicContact CD1-CD2 3.71Å; I134-Y194 HydrophobicContact CD1-CE2 4.44Å; I134-Y194 HydrophobicContact CD1-CG 4Å; I134-Y194 HydrophobicContact CG1-CD2 4.47Å; G136-Y194 PolarHBondContact O-N 3.49Å; H137-Y194 CarbonylContact C-O 3.54Å; H137-Y194 WeakPolarHBondContact CA-O 3.28Å; H137-Y194 VanDerWaalsContact CB-O 3.26Å; H137-Y194 WeakPolarHBondContact CB-O 3.43Å; I138-Y194 PolarHBondContact N-O 2.89Å; Y194-F196 HydrophobicContact CE1-CB 4.31Å; Y194-V218 HydrophobicContact CD2-CG2 3.55Å; Y194-V218 HydrophobicContact CE2-CG2 4.49Å; Y194-V218 HydrophobicContact CG-CG2 4.08Å; Y194-G220 WeakPolarHBondContact OH-CA 3.42Å; Y194-G220 PolarHBondContact OH-O 2.94Å; Y194-M221 PolarHBondContact OH-N 3.41Å; Y194-S222 WeakPolarHBondContact CE1-O 3.28Å; Y194-S222 PolarHBondContact OH-N 2.89Å; Y194-S222 PolarHBondContact OH-O 3.07Å; Y194-V224 HydrophobicContact CD1-CG2 3.76Å; Y194-V224 HydrophobicContact CE1-CG2 4.08Å; Y194-S241 WeakPolarHBondContact CD2-OG 3.42Å
195	A	98.9	Very high	97.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124.3	168.9	0	0	0	0	0	110.4	F140 N197 L211 C216 V218 V219 G220	F140-A195 HydrophobicContact CE2-CB 3.92Å; A195-N197 PolarHBondContact O-N 3.36Å; A195-L211 HydrophobicContact CB-CD1 4.23Å; A195-L211 HydrophobicContact CB-CD2 3.95Å; A195-C216 HydrophobicContact CB-CB 3.93Å; A195-V218 PolarHBondContact N-O 3.13Å; A195-V219 HydrophobicContact CB-CB 4.14Å; A195-V219 HydrophobicContact CB-CG2 4Å; A195-V219 WeakPolarHBondContact O-CA 3.45Å; A195-G220 PolarHBondContact O-N 3.16Å
196	F	98.8	Very high	97.6	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	102.4	173.8	-178	-151.6	0	0	0	110.4	M89 I138 N139 P141 Y194 V224 P225	M89-F196 HydrophobicContact SD-CE1 4.48Å; M89-F196 HydrophobicContact SD-CZ 4.31Å; I138-F196 PolarHBondContact O-N 3.43Å; N139-F196 WeakPolarHBondContact OD1-CD1 3.38Å; P141-F196 HydrophobicContact CB-CD1 4.37Å; P141-F196 HydrophobicContact CB-CE1 4.12Å; P141-F196 VanDerWaalsContact CD-O 3.24Å; P141-F196 WeakPolarHBondContact CD-O 3.42Å; P141-F196 HydrophobicContact CG-CD1 3.71Å; P141-F196 HydrophobicContact CG-CE1 3.66Å; P141-F196 HydrophobicContact CG-CG 4.32Å; P141-F196 HydrophobicContact CG-CZ 4.21Å; Y194-F196 HydrophobicContact CE1-CB 4.31Å; F196-V224 HydrophobicContact CB-CB 3.97Å; F196-V224 HydrophobicContact CB-CG1 4.46Å; F196-V224 HydrophobicContact CB-CG2 3.77Å; F196-V224 HydrophobicContact CD1-CB 3.79Å; F196-V224 HydrophobicContact CD1-CG1 4.06Å; F196-V224 HydrophobicContact CG-CB 3.96Å; F196-V224 HydrophobicContact CG-CG2 4.25Å; F196-P225 HydrophobicContact CD1-CG 4.5Å; F196-P225 HydrophobicContact CE1-CG 3.57Å; F196-P225 HydrophobicContact CZ-CG 3.67Å
197	N	98.5	Very high	97.6	Very high	39 Å²	39	51.8 Å²	51.8	21%	0.209	29%	0.292	C	S	.	.			trans	-82	134.3	165.4	175.4	11.4	0	0	0	108.7	A195 G199 T201 E203 V219 G220 M221	A195-N197 PolarHBondContact O-N 3.36Å; N197-G199 PolarHBondContact O-N 3.36Å; N197-G199 PolarHBondContact OD1-N 2.97Å; N197-T201 PolarHBondContact ND2-O 2.87Å; N197-T201 VanDerWaalsContact ND2-O 3.16Å; N197-E203 PolarHBondContact ND2-OE1 3.45Å; N197-V219 HydrophobicContact CB-CG2 3.89Å; N197-G220 PolarHBondContact N-O 3.23Å; N197-M221 VanDerWaalsContact O-CA 3.27Å; N197-M221 WeakPolarHBondContact O-CA 3.35Å
198	G	97.8	Very high	97.5	Very high	29 Å²	29	46.8 Å²	46.8	30%	0.299	27%	0.265	S	S	.	.			trans	-63.1	-29	177.1	0	0	0	0	0	113.5	Y90	Y90-G198 WeakPolarHBondContact CB-O 3.31Å
199	G	96.3	Very high	97.5	Very high	25 Å²	25	48.1 Å²	48.1	26%	0.258	27%	0.272	S	S	.	.			trans	69	-168.9	-175.4	0	0	0	0	0	113.4	N197	N197-G199 PolarHBondContact O-N 3.36Å; N197-G199 PolarHBondContact OD1-N 2.97Å
200	P	94.5	Very high	97.5	Very high	92 Å²	92	51.8 Å²	51.8	60%	0.597	29%	0.29	S	S	*	.	S	Bend	cis	-84.7	-2.4	1.8	34.8	-36.2	0	0	0	113.9	Y90	Y90-P200 HydrophobicContact CD2-CB 4.38Å; Y90-P200 HydrophobicContact CG-CB 4.32Å
201	T	96.6	Very high	97.5	Very high	99 Å²	99	49.4 Å²	49.4	61%	0.607	28%	0.279	S	S	*	.	S	Bend	trans	-70.6	133.4	177.6	54.3	0	0	0	0	110.2	N197 M221	N197-T201 PolarHBondContact ND2-O 2.87Å; N197-T201 VanDerWaalsContact ND2-O 3.16Å; T201-M221 VanDerWaalsContact O-CE 3.25Å; T201-M221 WeakPolarHBondContact O-CE 3.39Å
202	Y	95.3	Very high	97.5	Very high	85 Å²	85	45.7 Å²	45.7	33%	0.333	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-56.6	156.4	163.5	-66.5	-69.6	0	0	0	110.2	M221 I257	Y202-M221 HydrophobicContact CD1-CE 3.96Å; Y202-M221 HydrophobicContact CE1-CE 4.43Å; Y202-M221 HydrophobicContact CG-CE 4.45Å; Y202-I257 HydrophobicContact CD1-CG2 3.83Å; Y202-I257 HydrophobicContact CD2-CG2 4.05Å; Y202-I257 HydrophobicContact CE1-CG2 3.87Å; Y202-I257 HydrophobicContact CE2-CG2 4.1Å; Y202-I257 HydrophobicContact CG-CB 4.48Å; Y202-I257 HydrophobicContact CG-CG2 3.93Å
203	E	97.1	Very high	97.4	Very high	19 Å²	19	53 Å²	53	9%	0.089	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-65.5	135.8	-178.9	-58.1	69.8	-142.5	0	0	110.2	N197 E207 S208 L211 V219	N197-E203 PolarHBondContact ND2-OE1 3.45Å; E203-E207 HydrophobicContact CB-CB 4.16Å; E203-S208 WeakPolarHBondContact CB-OG 3.41Å; E203-L211 HydrophobicContact CG-CD1 4.19Å; E203-V219 VanDerWaalsContact CD-CG1 3.45Å; E203-V219 HydrophobicContact CG-CG1 4Å; E203-V219 HydrophobicContact CG-CG2 3.9Å; E203-V219 VanDerWaalsContact OE1-CG2 3.32Å; E203-V219 WeakPolarHBondContact OE1-CG2 3.44Å; E203-V219 WeakPolarHBondContact OE2-CG1 3.43Å
204	S	95.9	Very high	97.4	Very high	44 Å²	44	56.1 Å²	56.1	31%	0.308	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-63.7	156	164.6	62.2	0	0	0	0	110.5	D206 E207 S208	S204-D206 PolarHBondContact O-N 3.39Å; S204-D206 VanDerWaalsContact O-N 3.13Å; S204-E207 WeakPolarHBondContact CB-OE2 3.13Å; S204-E207 PolarHBondContact N-OE2 3.38Å; S204-E207 PolarHBondContact O-N 2.98Å; S204-E207 WeakPolarHBondContact OG-CB 3.39Å; S204-E207 WeakPolarHBondContact OG-CG 3.44Å; S204-E207 PolarHBondContact OG-N 3.45Å; S204-E207 PolarHBondContact OG-OE2 2.93Å; S204-S208 PolarHBondContact O-N 3.49Å
205	P	95.7	Very high	97.4	Very high	78 Å²	78	58.3 Å²	58.3	51%	0.506	33%	0.333	S	S	.	.	H	α-helix	trans	-48.6	-40.3	173.6	-33.2	39	0	0	0	113.9	N209 A251	P205-N209 WeakPolarHBondContact O-CB 3.34Å; P205-N209 PolarHBondContact O-N 2.87Å; P205-A251 HydrophobicContact CB-CB 3.76Å; P205-A251 HydrophobicContact CG-CB 4.11Å
206	D	97.2	Very high	97.4	Very high	125 Å²	125	58.4 Å²	58.4	67%	0.668	33%	0.333	S	S	*	.	H	α-helix	trans	-72.5	-37.7	179.8	-68.6	-64.7	0	0	0	112.9	S204 N209 M210	S204-D206 PolarHBondContact O-N 3.39Å; S204-D206 VanDerWaalsContact O-N 3.13Å; D206-N209 PolarHBondContact O-N 2.93Å; D206-M210 WeakPolarHBondContact O-CB 3.24Å; D206-M210 PolarHBondContact O-N 3.4Å
207	E	98.2	Very high	97.4	Very high	87 Å²	87	59.5 Å²	59.5	41%	0.407	34%	0.339	S	S	.	.	H	α-helix	trans	-63.6	-45.9	171.6	-74.8	162.3	155.6	0	0	110.5	E203 S204 N209 M210 L211	E203-E207 HydrophobicContact CB-CB 4.16Å; S204-E207 WeakPolarHBondContact CB-OE2 3.13Å; S204-E207 PolarHBondContact N-OE2 3.38Å; S204-E207 PolarHBondContact O-N 2.98Å; S204-E207 WeakPolarHBondContact OG-CB 3.39Å; S204-E207 WeakPolarHBondContact OG-CG 3.44Å; S204-E207 PolarHBondContact OG-N 3.45Å; S204-E207 PolarHBondContact OG-OE2 2.93Å; E207-N209 VanDerWaalsContact C-N 3.33Å; E207-N209 PolarHBondContact O-N 3.07Å; E207-M210 WeakPolarHBondContact O-CB 3.4Å; E207-M210 PolarHBondContact O-N 2.89Å; E207-M210 VanDerWaalsContact O-N 3.16Å; E207-L211 VanDerWaalsContact O-CG 3.28Å; E207-L211 WeakPolarHBondContact O-CG 3.41Å; E207-L211 PolarHBondContact O-N 3Å
208	S	97.7	Very high	97.4	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.007	33%	0.329	C	S	.	.	H	α-helix	trans	-58.5	-44	174.1	-72	0	0	0	0	112	E203 S204 M210 L211 L212 S247	E203-S208 WeakPolarHBondContact CB-OG 3.41Å; S204-S208 PolarHBondContact O-N 3.49Å; S208-M210 VanDerWaalsContact C-N 3.34Å; S208-M210 PolarHBondContact O-N 3.41Å; S208-L211 PolarHBondContact O-N 2.76Å; S208-L212 PolarHBondContact O-N 2.66Å; S208-S247 WeakPolarHBondContact CB-OG 3.48Å; S208-S247 VanDerWaalsContact OG-CB 3.27Å; S208-S247 WeakPolarHBondContact OG-CB 3.48Å; S208-S247 PolarHBondContact OG-OG 2.99Å
209	N	97.1	Very high	97.4	Very high	58 Å²	58	56.3 Å²	56.3	31%	0.31	32%	0.315	S	S	.	.	H	α-helix	trans	-63.8	-37.8	176.7	-172.5	31.7	0	0	0	112.3	P205 D206 E207 K213	P205-N209 WeakPolarHBondContact O-CB 3.34Å; P205-N209 PolarHBondContact O-N 2.87Å; D206-N209 PolarHBondContact O-N 2.93Å; E207-N209 VanDerWaalsContact C-N 3.33Å; E207-N209 PolarHBondContact O-N 3.07Å; N209-K213 PolarHBondContact ND2-NZ 2.91Å; N209-K213 VanDerWaalsContact ND2-NZ 3.2Å; N209-K213 WeakPolarHBondContact O-CG 3.27Å; N209-K213 PolarHBondContact O-N 2.77Å; N209-K213 WeakPolarHBondContact OD1-CE 3.21Å
210	M	98.3	Very high	97.5	Very high	90 Å²	90	55.4 Å²	55.4	44%	0.443	31%	0.306	S	S	.	.	H	α-helix	trans	-62.2	-49.3	171.9	179.2	-174.3	69.3	0	0	110.7	D206 E207 S208 L212 K213 L214	D206-M210 WeakPolarHBondContact O-CB 3.24Å; D206-M210 PolarHBondContact O-N 3.4Å; E207-M210 WeakPolarHBondContact O-CB 3.4Å; E207-M210 PolarHBondContact O-N 2.89Å; E207-M210 VanDerWaalsContact O-N 3.16Å; S208-M210 VanDerWaalsContact C-N 3.34Å; S208-M210 PolarHBondContact O-N 3.41Å; M210-L212 VanDerWaalsContact C-N 3.29Å; M210-L212 PolarHBondContact O-N 3.42Å; M210-K213 PolarHBondContact O-N 2.9Å; M210-K213 VanDerWaalsContact O-N 3.1Å; M210-L214 HydrophobicContact CG-CD1 3.96Å; M210-L214 HydrophobicContact CG-CG 4.37Å; M210-L214 WeakPolarHBondContact O-CG 3.26Å; M210-L214 PolarHBondContact O-N 3.09Å
211	L	98.5	Very high	97.6	Very high	9 Å²	9	52.5 Å²	52.5	5%	0.047	29%	0.285	C	S	.	.	H	α-helix	trans	-59.5	-38.8	179.6	-67.6	178.6	0	0	0	112.1	I122 F140 A195 E203 E207 S208 L214 G215 C216 V219	I122-L211 HydrophobicContact CD1-CB 4.11Å; I122-L211 HydrophobicContact CD1-CD1 4.16Å; I122-L211 HydrophobicContact CG1-CB 4.4Å; I122-L211 HydrophobicContact CG2-CB 4.23Å; F140-L211 HydrophobicContact CD2-CD2 4.44Å; F140-L211 HydrophobicContact CE1-CD2 4.48Å; F140-L211 HydrophobicContact CE2-CD2 3.36Å; F140-L211 HydrophobicContact CZ-CD2 3.38Å; A195-L211 HydrophobicContact CB-CD1 4.23Å; A195-L211 HydrophobicContact CB-CD2 3.95Å; E203-L211 HydrophobicContact CG-CD1 4.19Å; E207-L211 VanDerWaalsContact O-CG 3.28Å; E207-L211 WeakPolarHBondContact O-CG 3.41Å; E207-L211 PolarHBondContact O-N 3Å; S208-L211 PolarHBondContact O-N 2.76Å; L211-L214 PolarHBondContact O-N 2.96Å; L211-G215 PolarHBondContact O-N 3.46Å; L211-C216 HydrophobicContact CB-CB 4.1Å; L211-C216 VanDerWaalsContact O-CB 3.3Å; L211-C216 WeakPolarHBondContact O-CB 3.44Å; L211-C216 PolarHBondContact O-N 3.05Å; L211-C216 PolarHBondContact O-SG 2.94Å; L211-C216 VanDerWaalsContact O-SG 3.32Å; L211-V219 HydrophobicContact CD1-CB 3.87Å; L211-V219 HydrophobicContact CD1-CG1 4.4Å; L211-V219 HydrophobicContact CD1-CG2 3.57Å
212	L	97.9	Very high	97.6	Very high	49 Å²	49	48.3 Å²	48.3	26%	0.257	26%	0.259	S	S	.	.	H	α-helix	trans	-60.4	-46.2	174.1	178.5	66.1	0	0	0	111.5	I122 S208 M210 L214 G215 I248	I122-L212 VanDerWaalsContact CG2-CA 3.42Å; I122-L212 HydrophobicContact CG2-CB 3.62Å; I122-L212 HydrophobicContact CG2-CD1 4.13Å; I122-L212 HydrophobicContact CG2-CG 4.49Å; S208-L212 PolarHBondContact O-N 2.66Å; M210-L212 VanDerWaalsContact C-N 3.29Å; M210-L212 PolarHBondContact O-N 3.42Å; L212-L214 VanDerWaalsContact C-N 3.28Å; L212-L214 PolarHBondContact O-N 3.16Å; L212-G215 PolarHBondContact O-N 3.23Å; L212-G215 VanDerWaalsContact O-N 3.11Å; L212-I248 HydrophobicContact CB-CD1 4.08Å; L212-I248 HydrophobicContact CB-CG1 4.44Å; L212-I248 HydrophobicContact CD2-CD1 4.07Å; L212-I248 HydrophobicContact CD2-CG1 4.21Å; L212-I248 HydrophobicContact CD2-CG2 4.48Å
213	K	98.2	Very high	97.7	Very high	155 Å²	155	44.2 Å²	44.2	67%	0.674	24%	0.244	S	C	*	.	H	α-helix	trans	-66.4	-29.8	178.2	-67.7	166.9	-174	169.6	0	112.6	N209 M210 G215	N209-K213 PolarHBondContact ND2-NZ 2.91Å; N209-K213 VanDerWaalsContact ND2-NZ 3.2Å; N209-K213 WeakPolarHBondContact O-CG 3.27Å; N209-K213 PolarHBondContact O-N 2.77Å; N209-K213 WeakPolarHBondContact OD1-CE 3.21Å; M210-K213 PolarHBondContact O-N 2.9Å; M210-K213 VanDerWaalsContact O-N 3.1Å; K213-G215 PolarHBondContact O-N 3.48Å
214	L	98.4	Very high	97.8	Very high	91 Å²	91	43.3 Å²	43.3	48%	0.476	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-1.9	174.8	-67.3	176.2	0	0	0	113.4	F140 M210 L211 L212	F140-L214 HydrophobicContact CE1-CD1 4.03Å; F140-L214 HydrophobicContact CZ-CD1 3.84Å; M210-L214 HydrophobicContact CG-CD1 3.96Å; M210-L214 HydrophobicContact CG-CG 4.37Å; M210-L214 WeakPolarHBondContact O-CG 3.26Å; M210-L214 PolarHBondContact O-N 3.09Å; L211-L214 PolarHBondContact O-N 2.96Å; L212-L214 VanDerWaalsContact C-N 3.28Å; L212-L214 PolarHBondContact O-N 3.16Å
215	G	98.3	Very high	98	Very high	46 Å²	46	41.5 Å²	41.5	47%	0.474	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	23.5	178.7	0	0	0	0	0	114.1	L211 L212 K213	L211-G215 PolarHBondContact O-N 3.46Å; L212-G215 PolarHBondContact O-N 3.23Å; L212-G215 VanDerWaalsContact O-N 3.11Å; K213-G215 PolarHBondContact O-N 3.48Å
216	C	98.7	Very high	98.1	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.014	21%	0.205	C	C	.	.			trans	-78.9	138.4	172.3	-49.5	0	0	0	0	109.7	I122 I138 A195 L211	I122-C216 VanDerWaalsContact CG2-O 3.28Å; I122-C216 WeakPolarHBondContact CG2-O 3.28Å; I138-C216 VanDerWaalsContact CD1-SG 3.58Å; A195-C216 HydrophobicContact CB-CB 3.93Å; L211-C216 HydrophobicContact CB-CB 4.1Å; L211-C216 VanDerWaalsContact O-CB 3.3Å; L211-C216 WeakPolarHBondContact O-CB 3.44Å; L211-C216 PolarHBondContact O-N 3.05Å; L211-C216 PolarHBondContact O-SG 2.94Å; L211-C216 VanDerWaalsContact O-SG 3.32Å
217	D	98.7	Very high	98.2	Very high	26 Å²	26	32.3 Å²	32.3	14%	0.139	17%	0.173	C	C	.	.	S	Bend	trans	-95.9	-35.7	176.7	-64.8	-71.8	0	0	0	112	I122 N123 L126 G192 V193	I122-D217 WeakPolarHBondContact CA-O 3.42Å; I122-D217 WeakPolarHBondContact CB-O 3.45Å; I122-D217 PolarHBondContact N-O 3.45Å; N123-D217 HydrophobicContact CB-CB 4.09Å; N123-D217 WeakPolarHBondContact CB-OD1 3.3Å; N123-D217 PolarHBondContact N-O 2.98Å; N123-D217 PolarHBondContact ND2-OD1 3.39Å; L126-D217 VanDerWaalsContact CD1-O 3.26Å; L126-D217 WeakPolarHBondContact CD1-O 3.29Å; G192-D217 WeakPolarHBondContact CA-OD2 3.37Å; V193-D217 PolarHBondContact N-OD2 2.99Å; V193-D217 PolarHBondContact O-N 3.23Å
218	V	98.6	Very high	98.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	155	-178.4	-59.6	0	0	0	0	110	A119 G120 L126 V132 V193 Y194 A195 I243	A119-V218 HydrophobicContact CB-CB 4.28Å; G120-V218 CarbonylContact O-C 3.54Å; G120-V218 VanDerWaalsContact O-CA 3.31Å; G120-V218 WeakPolarHBondContact O-CA 3.44Å; L126-V218 HydrophobicContact CD1-CG1 3.57Å; V132-V218 HydrophobicContact CB-CG1 3.99Å; V132-V218 HydrophobicContact CG1-CG1 4.01Å; V132-V218 HydrophobicContact CG1-CG2 4.47Å; V132-V218 HydrophobicContact CG2-CG1 3.67Å; V193-V218 PolarHBondContact O-N 3.32Å; V193-V218 VanDerWaalsContact O-N 3.16Å; Y194-V218 HydrophobicContact CD2-CG2 3.55Å; Y194-V218 HydrophobicContact CE2-CG2 4.49Å; Y194-V218 HydrophobicContact CG-CG2 4.08Å; A195-V218 PolarHBondContact N-O 3.13Å; V218-I243 HydrophobicContact CB-CD1 4.3Å; V218-I243 HydrophobicContact CG1-CD1 3.42Å; V218-I243 VanDerWaalsContact CG1-CD1 3.42Å
219	V	98.7	Very high	98.3	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142.3	175.8	64.6	0	0	0	0	110.6	A119 G120 I122 A195 N197 E203 L211	A119-V219 CarbonylContact C-O 3.56Å; A119-V219 WeakPolarHBondContact CA-O 3.42Å; A119-V219 VanDerWaalsContact CB-O 3.28Å; A119-V219 WeakPolarHBondContact CB-O 3.47Å; G120-V219 PolarHBondContact N-O 3.5Å; G120-V219 PolarHBondContact O-N 2.65Å; I122-V219 HydrophobicContact CD1-CB 4.33Å; I122-V219 HydrophobicContact CD1-CG1 3.81Å; I122-V219 HydrophobicContact CG1-CB 4.07Å; I122-V219 HydrophobicContact CG1-CG1 3.88Å; A195-V219 HydrophobicContact CB-CB 4.14Å; A195-V219 HydrophobicContact CB-CG2 4Å; A195-V219 WeakPolarHBondContact O-CA 3.45Å; N197-V219 HydrophobicContact CB-CG2 3.89Å; E203-V219 VanDerWaalsContact CD-CG1 3.45Å; E203-V219 HydrophobicContact CG-CG1 4Å; E203-V219 HydrophobicContact CG-CG2 3.9Å; E203-V219 VanDerWaalsContact OE1-CG2 3.32Å; E203-V219 WeakPolarHBondContact OE1-CG2 3.44Å; E203-V219 WeakPolarHBondContact OE2-CG1 3.43Å; L211-V219 HydrophobicContact CD1-CB 3.87Å; L211-V219 HydrophobicContact CD1-CG1 4.4Å; L211-V219 HydrophobicContact CD1-CG2 3.57Å
220	G	97.7	Very high	98.4	Very high	6 Å²	6	25.6 Å²	25.6	6%	0.062	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	-173.4	168.7	0	0	0	0	0	112.7	Y194 A195 N197	Y194-G220 WeakPolarHBondContact OH-CA 3.42Å; Y194-G220 PolarHBondContact OH-O 2.94Å; A195-G220 PolarHBondContact O-N 3.16Å; N197-G220 PolarHBondContact N-O 3.23Å
221	M	97	Very high	98.4	Very high	32 Å²	32	22.6 Å²	22.6	16%	0.158	13%	0.127	C	C	.	.	S	Bend	trans	-115.3	26.1	-163	-51	170.5	-170.6	0	0	114	Y90 Y194 N197 T201 Y202	Y90-M221 HydrophobicContact CD1-CB 3.83Å; Y90-M221 HydrophobicContact CE1-CB 3.85Å; Y194-M221 PolarHBondContact OH-N 3.41Å; N197-M221 VanDerWaalsContact O-CA 3.27Å; N197-M221 WeakPolarHBondContact O-CA 3.35Å; T201-M221 VanDerWaalsContact O-CE 3.25Å; T201-M221 WeakPolarHBondContact O-CE 3.39Å; Y202-M221 HydrophobicContact CD1-CE 3.96Å; Y202-M221 HydrophobicContact CE1-CE 4.43Å; Y202-M221 HydrophobicContact CG-CE 4.45Å
222	S	96.6	Very high	98.4	Very high	10 Å²	10	22.5 Å²	22.5	7%	0.07	13%	0.126	C	C	.	.	S	Bend	trans	-154.5	-167.2	-174.9	70.8	0	0	0	0	111.9	R86 Y194 V224	R86-S222 PolarHBondContact NH1-OG 3.17Å; R86-S222 VanDerWaalsContact NH1-OG 3.17Å; Y194-S222 WeakPolarHBondContact CE1-O 3.28Å; Y194-S222 PolarHBondContact OH-N 2.89Å; Y194-S222 PolarHBondContact OH-O 3.07Å; S222-V224 PolarHBondContact O-N 3.33Å
223	T	98.2	Very high	98.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	78.5	-57.4	165.3	-53.9	0	0	0	0	114.8	R86 I115 N117 I134 P225 E226 V227 A239	R86-T223 PolarHBondContact NH1-OG1 2.99Å; R86-T223 PolarHBondContact NH2-OG1 3.21Å; I115-T223 HydrophobicContact CD1-CG2 4.41Å; I115-T223 HydrophobicContact CG2-CG2 3.98Å; N117-T223 PolarHBondContact ND2-OG1 3.34Å; I134-T223 HydrophobicContact CD1-CG2 4.2Å; T223-P225 VanDerWaalsContact C-CD 3.47Å; T223-P225 VanDerWaalsContact C-N 3.32Å; T223-E226 WeakPolarHBondContact CA-OE2 3.4Å; T223-E226 PolarHBondContact N-OE2 3.22Å; T223-E226 PolarHBondContact O-N 2.87Å; T223-E226 VanDerWaalsContact O-N 3.12Å; T223-V227 HydrophobicContact CG2-CG2 3.82Å; T223-V227 VanDerWaalsContact O-CG2 3.28Å; T223-V227 WeakPolarHBondContact O-CG2 3.33Å; T223-V227 PolarHBondContact O-N 3.06Å; T223-A239 HydrophobicContact CG2-CB 4.09Å
224	V	98.8	Very high	98.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-56	-40.8	-175.9	174	0	0	0	0	113.2	H137 N139 Y194 F196 S222 V227 I228	H137-V224 HydrophobicContact CB-CG2 3.72Å; N139-V224 HydrophobicContact CB-CG1 3.77Å; Y194-V224 HydrophobicContact CD1-CG2 3.76Å; Y194-V224 HydrophobicContact CE1-CG2 4.08Å; F196-V224 HydrophobicContact CB-CB 3.97Å; F196-V224 HydrophobicContact CB-CG1 4.46Å; F196-V224 HydrophobicContact CB-CG2 3.77Å; F196-V224 HydrophobicContact CD1-CB 3.79Å; F196-V224 HydrophobicContact CD1-CG1 4.06Å; F196-V224 HydrophobicContact CG-CB 3.96Å; F196-V224 HydrophobicContact CG-CG2 4.25Å; S222-V224 PolarHBondContact O-N 3.33Å; V224-V227 PolarHBondContact O-N 2.94Å; V224-I228 HydrophobicContact CG1-CD1 3.75Å; V224-I228 HydrophobicContact CG1-CG1 4.37Å; V224-I228 VanDerWaalsContact O-CG1 3.3Å; V224-I228 WeakPolarHBondContact O-CG1 3.31Å; V224-I228 PolarHBondContact O-N 2.89Å
225	P	98.7	Very high	98.4	Very high	6 Å²	6	11.7 Å²	11.7	4%	0.039	9%	0.091	C	C	.	.	H	α-helix	trans	-58	-49.6	174.5	-26.9	37.4	0	0	0	113.3	M89 I98 V148 F196 T223 V227 I228 I229	M89-P225 HydrophobicContact CG-CG 4.2Å; M89-P225 HydrophobicContact SD-CB 4.18Å; M89-P225 HydrophobicContact SD-CG 3.61Å; I98-P225 HydrophobicContact CG2-CB 3.73Å; V148-P225 HydrophobicContact CB-CB 4.12Å; V148-P225 HydrophobicContact CG1-CB 4.46Å; V148-P225 HydrophobicContact CG2-CB 4.09Å; F196-P225 HydrophobicContact CD1-CG 4.5Å; F196-P225 HydrophobicContact CE1-CG 3.57Å; F196-P225 HydrophobicContact CZ-CG 3.67Å; T223-P225 VanDerWaalsContact C-CD 3.47Å; T223-P225 VanDerWaalsContact C-N 3.32Å; P225-V227 VanDerWaalsContact C-N 3.34Å; P225-V227 PolarHBondContact O-N 2.98Å; P225-I228 PolarHBondContact O-N 3.11Å; P225-I229 WeakPolarHBondContact O-CG1 3.19Å; P225-I229 PolarHBondContact O-N 3.39Å; P225-I229 VanDerWaalsContact O-N 3.11Å
226	E	98.7	Very high	98.4	Very high	10 Å²	10	14.5 Å²	14.5	5%	0.047	9%	0.09	C	C	.	.	H	α-helix	trans	-67.5	-36	-179.2	-59.4	97.5	133.6	0	0	112.1	I32 R86 I98 I102 I115 T223 I229 A230	I32-E226 HydrophobicContact CD1-CB 3.98Å; I32-E226 HydrophobicContact CD1-CG 3.9Å; R86-E226 IonicContact CZ-OE1 3.34Å; R86-E226 IonicContact CZ-OE2 3.06Å; R86-E226 IonicContact NE-OE1 3.98Å; R86-E226 PolarHBondContact NE-OE1 3.33Å; R86-E226 IonicContact NE-OE2 3.26Å; R86-E226 IonicContact NH2-OE1 3.91Å; R86-E226 PolarHBondContact NH2-OE1 2.61Å; R86-E226 IonicContact NH2-OE2 3.95Å; R86-E226 PolarHBondContact NH2-OE2 3.18Å; I98-E226 HydrophobicContact CG2-CG 4.39Å; I102-E226 HydrophobicContact CD1-CB 4.05Å; I102-E226 HydrophobicContact CD1-CG 4.15Å; I102-E226 HydrophobicContact CG1-CB 4.17Å; I102-E226 HydrophobicContact CG1-CG 4.26Å; I115-E226 HydrophobicContact CD1-CB 4.17Å; T223-E226 WeakPolarHBondContact CA-OE2 3.4Å; T223-E226 PolarHBondContact N-OE2 3.22Å; T223-E226 PolarHBondContact O-N 2.87Å; T223-E226 VanDerWaalsContact O-N 3.12Å; E226-I229 PolarHBondContact O-N 3.17Å; E226-A230 VanDerWaalsContact O-CB 3.27Å; E226-A230 WeakPolarHBondContact O-CB 3.39Å; E226-A230 PolarHBondContact O-N 2.84Å
227	V	98.9	Very high	98.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62	-43.2	174.3	174.2	0	0	0	0	111.2	I115 A167 Y168 T223 V224 P225 A230 C231 V237	I115-V227 HydrophobicContact CD1-CG2 3.87Å; A167-V227 HydrophobicContact CB-CG1 4.19Å; Y168-V227 HydrophobicContact CE1-CG1 3.95Å; Y168-V227 HydrophobicContact CE1-CG2 3.99Å; T223-V227 HydrophobicContact CG2-CG2 3.82Å; T223-V227 VanDerWaalsContact O-CG2 3.28Å; T223-V227 WeakPolarHBondContact O-CG2 3.33Å; T223-V227 PolarHBondContact O-N 3.06Å; V224-V227 PolarHBondContact O-N 2.94Å; P225-V227 VanDerWaalsContact C-N 3.34Å; P225-V227 PolarHBondContact O-N 2.98Å; V227-A230 PolarHBondContact O-N 2.96Å; V227-C231 VanDerWaalsContact O-CB 3.25Å; V227-C231 WeakPolarHBondContact O-CB 3.28Å; V227-C231 PolarHBondContact O-N 2.82Å; V227-V237 HydrophobicContact CG1-CG1 4.39Å; V227-V237 HydrophobicContact CG1-CG2 4.41Å; V227-V237 HydrophobicContact CG2-CG1 3.85Å
228	I	98.9	Very high	98.4	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.015	8%	0.083	C	C	.	.	H	α-helix	trans	-64.3	-43.3	178.5	-71.9	168.7	0	0	0	110.8	N139 V148 L149 L164 V224 P225 C231 H232	N139-I228 WeakPolarHBondContact ND2-CD1 3.36Å; V148-I228 HydrophobicContact CG1-CB 3.84Å; V148-I228 HydrophobicContact CG1-CG2 3.62Å; L149-I228 HydrophobicContact CD1-CG2 3.51Å; L149-I228 HydrophobicContact CG-CG2 3.81Å; L164-I228 HydrophobicContact CD1-CG1 4.19Å; L164-I228 HydrophobicContact CD2-CG1 4.43Å; V224-I228 HydrophobicContact CG1-CD1 3.75Å; V224-I228 HydrophobicContact CG1-CG1 4.37Å; V224-I228 VanDerWaalsContact O-CG1 3.3Å; V224-I228 WeakPolarHBondContact O-CG1 3.31Å; V224-I228 PolarHBondContact O-N 2.89Å; P225-I228 PolarHBondContact O-N 3.11Å; I228-C231 PolarHBondContact O-N 3.08Å; I228-H232 VanDerWaalsContact O-CB 3.24Å; I228-H232 WeakPolarHBondContact O-CB 3.44Å; I228-H232 PolarHBondContact O-N 3.46Å
229	I	98.9	Very high	98.4	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-67.1	-40.6	177.8	-59.5	-61.5	0	0	0	111.4	A99 I102 R103 V148 L149 P225 E226 H232 C233	A99-I229 HydrophobicContact CB-CD1 3.64Å; A99-I229 HydrophobicContact CB-CG1 3.84Å; A99-I229 HydrophobicContact CB-CG2 4.21Å; I102-I229 HydrophobicContact CB-CB 4.25Å; I102-I229 HydrophobicContact CB-CG2 3.69Å; I102-I229 HydrophobicContact CG1-CG2 4.42Å; I102-I229 HydrophobicContact CG2-CB 4.18Å; I102-I229 HydrophobicContact CG2-CG2 3.76Å; R103-I229 HydrophobicContact CG-CG2 4.07Å; V148-I229 HydrophobicContact CB-CD1 4.47Å; V148-I229 HydrophobicContact CG1-CD1 3.73Å; V148-I229 HydrophobicContact CG1-CG1 3.89Å; V148-I229 HydrophobicContact CG2-CD1 4.03Å; V148-I229 HydrophobicContact CG2-CG1 4.03Å; L149-I229 HydrophobicContact CD2-CD1 3.54Å; L149-I229 HydrophobicContact CG-CD1 4.15Å; P225-I229 WeakPolarHBondContact O-CG1 3.19Å; P225-I229 PolarHBondContact O-N 3.39Å; P225-I229 VanDerWaalsContact O-N 3.11Å; E226-I229 PolarHBondContact O-N 3.17Å; I229-H232 WeakPolarHBondContact O-CB 3.48Å; I229-H232 PolarHBondContact O-N 2.72Å; I229-C233 PolarHBondContact O-N 2.77Å; I229-C233 VanDerWaalsContact O-N 3.16Å; I229-C233 PolarHBondContact O-SG 3.22Å
230	A	98.8	Very high	98.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.5	-47.1	176.2	0	0	0	0	0	111.4	I102 L113 E226 V227 H232 C233 G234 I235 V237	I102-A230 HydrophobicContact CG2-CB 4.03Å; L113-A230 HydrophobicContact CD2-CB 3.7Å; E226-A230 VanDerWaalsContact O-CB 3.27Å; E226-A230 WeakPolarHBondContact O-CB 3.39Å; E226-A230 PolarHBondContact O-N 2.84Å; V227-A230 PolarHBondContact O-N 2.96Å; A230-H232 PolarHBondContact O-N 3.31Å; A230-C233 CarbonylContact O-C 3.55Å; A230-C233 PolarHBondContact O-N 2.89Å; A230-C233 PolarHBondContact O-SG 2.65Å; A230-G234 PolarHBondContact O-N 3.01Å; A230-G234 VanDerWaalsContact O-N 3.09Å; A230-I235 HydrophobicContact CB-CB 4.01Å; A230-I235 HydrophobicContact CB-CG2 4.25Å; A230-I235 PolarHBondContact O-N 2.91Å; A230-V237 HydrophobicContact CB-CG2 3.69Å
231	C	98.7	Very high	98.4	Very high	28 Å²	28	13 Å²	13	19%	0.189	8%	0.08	C	C	.	.	H	α-helix	trans	-63.1	-42.1	176.4	-174	0	0	0	0	111.5	D163 L164 A167 V227 I228 C233 G234	D163-C231 PolarHBondContact O-SG 3.14Å; D163-C231 VanDerWaalsContact O-SG 3.42Å; L164-C231 HydrophobicContact CD2-CB 4.03Å; A167-C231 HydrophobicContact CB-CB 4.49Å; V227-C231 VanDerWaalsContact O-CB 3.25Å; V227-C231 WeakPolarHBondContact O-CB 3.28Å; V227-C231 PolarHBondContact O-N 2.82Å; I228-C231 PolarHBondContact O-N 3.08Å; C231-C233 VanDerWaalsContact C-N 3.25Å; C231-C233 PolarHBondContact O-N 2.64Å; C231-G234 PolarHBondContact O-N 2.88Å; C231-G234 VanDerWaalsContact O-N 3.09Å
232	H	98.8	Very high	98.4	Very high	6 Å²	6	11.6 Å²	11.6	3%	0.028	7%	0.073	C	C	.	.	H	α-helix	trans	-52.6	-43.1	175	-179.7	-130.9	0	0	0	111.9	L149 N153 G158 P159 P162 I228 I229 A230	L149-H232 HydrophobicContact CD1-CB 4.18Å; L149-H232 HydrophobicContact CD2-CB 4.45Å; N153-H232 PolarHBondContact OD1-CE1 3.36Å; N153-H232 PolarHBondContact OD1-NE2 3.37Å; N153-H232 VanDerWaalsContact OD1-NE2 3.14Å; G158-H232 WeakPolarHBondContact CA-NE2 3.32Å; G158-H232 WeakPolarHBondContact CA-O 3.47Å; G158-H232 PolarHBondContact O-NE2 3.44Å; P159-H232 PolarHBondContact O-CD2 3.5Å; P159-H232 VanDerWaalsContact O-CD2 3.27Å; P159-H232 PolarHBondContact O-NE2 2.97Å; P162-H232 HydrophobicContact CG-CB 4.39Å; I228-H232 VanDerWaalsContact O-CB 3.24Å; I228-H232 WeakPolarHBondContact O-CB 3.44Å; I228-H232 PolarHBondContact O-N 3.46Å; I229-H232 WeakPolarHBondContact O-CB 3.48Å; I229-H232 PolarHBondContact O-N 2.72Å; A230-H232 PolarHBondContact O-N 3.31Å
233	C	98.6	Very high	98.4	Very high	5 Å²	5	11.1 Å²	11.1	3%	0.034	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	14.4	-179.6	71.3	0	0	0	0	115.6	K106 F157 I229 A230 C231	K106-C233 HydrophobicContact CD-CB 4.38Å; K106-C233 VanDerWaalsContact CE-O 3.25Å; K106-C233 WeakPolarHBondContact CE-O 3.42Å; K106-C233 HydrophobicContact CG-CB 4.16Å; K106-C233 PolarHBondContact NZ-O 3.26Å; F157-C233 HydrophobicContact CB-CB 4.27Å; F157-C233 HydrophobicContact CD1-CB 4.27Å; F157-C233 VanDerWaalsContact O-CA 3.24Å; F157-C233 WeakPolarHBondContact O-CA 3.33Å; I229-C233 PolarHBondContact O-N 2.77Å; I229-C233 VanDerWaalsContact O-N 3.16Å; I229-C233 PolarHBondContact O-SG 3.22Å; A230-C233 CarbonylContact O-C 3.55Å; A230-C233 PolarHBondContact O-N 2.89Å; A230-C233 PolarHBondContact O-SG 2.65Å; C231-C233 VanDerWaalsContact C-N 3.25Å; C231-C233 PolarHBondContact O-N 2.64Å
234	G	98.3	Very high	98.2	Very high	57 Å²	57	11.4 Å²	11.4	59%	0.588	7%	0.073	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.5	26.9	173.5	0	0	0	0	0	114.8	A230 C231	A230-G234 PolarHBondContact O-N 3.01Å; A230-G234 VanDerWaalsContact O-N 3.09Å; C231-G234 PolarHBondContact O-N 2.88Å; C231-G234 VanDerWaalsContact O-N 3.09Å
235	I	98.6	Very high	97.9	Very high	7 Å²	7	12.6 Å²	12.6	4%	0.036	8%	0.079	C	C	.	.			trans	-85.6	130.2	168.5	-64.3	177.2	0	0	0	108.5	K106 V110 L113 A230	K106-I235 HydrophobicContact CB-CD1 4.01Å; K106-I235 HydrophobicContact CD-CD1 4.34Å; K106-I235 HydrophobicContact CD-CG1 4.1Å; V110-I235 HydrophobicContact CB-CD1 4.45Å; V110-I235 HydrophobicContact CG1-CD1 4.25Å; V110-I235 HydrophobicContact CG1-CG2 4.28Å; L113-I235 HydrophobicContact CB-CG2 3.62Å; A230-I235 HydrophobicContact CB-CB 4.01Å; A230-I235 HydrophobicContact CB-CG2 4.25Å; A230-I235 PolarHBondContact O-N 2.91Å
236	K	98.5	Very high	97.8	Very high	104 Å²	104	12.6 Å²	12.6	45%	0.452	8%	0.079	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	142	174.3	-66.6	-178.8	170	-158	0	110.3	R111 V112 L113 D169 L172	R111-K236 PolarHBondContact O-N 2.99Å; V112-K236 CarbonylContact C-O 3.57Å; V112-K236 WeakPolarHBondContact CA-O 3.26Å; V112-K236 HydrophobicContact CG2-CB 4.43Å; L113-K236 PolarHBondContact N-O 2.81Å; D169-K236 HydrophobicContact CB-CB 4.34Å; D169-K236 WeakPolarHBondContact OD2-CD 3.48Å; D169-K236 WeakPolarHBondContact OD2-CE 3.14Å; D169-K236 IonicContact OD2-NZ 3.83Å; D169-K236 PolarHBondContact OD2-NZ 2.82Å; L172-K236 HydrophobicContact CD1-CB 4.16Å
237	V	98.7	Very high	97.3	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.006	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135	-176.6	179.2	0	0	0	0	111.4	L113 I115 A167 Y168 D169 V227 A230 A239	L113-V237 HydrophobicContact CB-CG2 4.47Å; L113-V237 WeakPolarHBondContact O-CA 3.31Å; I115-V237 HydrophobicContact CD1-CG1 4.41Å; A167-V237 WeakPolarHBondContact O-CB 3.22Å; Y168-V237 HydrophobicContact CD1-CG1 4.33Å; D169-V237 PolarHBondContact N-O 2.78Å; V227-V237 HydrophobicContact CG1-CG1 4.39Å; V227-V237 HydrophobicContact CG1-CG2 4.41Å; V227-V237 HydrophobicContact CG2-CG1 3.85Å; A230-V237 HydrophobicContact CB-CG2 3.69Å; V237-A239 HydrophobicContact CG1-CB 4.28Å
238	L	98.4	Very high	96.9	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128	155.7	177.6	65.6	0	0	0	108.2	L113 L114 I115 L133 L172 Q173 A176 I280	L113-L238 PolarHBondContact O-N 3.27Å; L114-L238 WeakPolarHBondContact CA-O 3.2Å; L114-L238 HydrophobicContact CD2-CB 3.75Å; L114-L238 HydrophobicContact CD2-CD2 4.12Å; L114-L238 HydrophobicContact CD2-CG 4.5Å; I115-L238 PolarHBondContact N-O 2.76Å; L133-L238 HydrophobicContact CD2-CD1 3.96Å; L172-L238 HydrophobicContact CB-CB 4.05Å; L172-L238 HydrophobicContact CB-CD1 4.28Å; L172-L238 HydrophobicContact CD1-CB 4.06Å; Q173-L238 HydrophobicContact CG-CD1 4.06Å; A176-L238 HydrophobicContact CB-CD1 4.34Å; A176-L238 HydrophobicContact CB-CD2 4.05Å; L238-I280 HydrophobicContact CD2-CD1 4.03Å; L238-I280 HydrophobicContact CD2-CG2 4.01Å
239	A	98.3	Very high	96.3	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.008	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134	176.7	0	0	0	0	0	111	I115 I134 Y168 T223 V237	I115-A239 HydrophobicContact CB-CB 4.25Å; I115-A239 CarbonylContact O-C 3.49Å; I115-A239 VanDerWaalsContact O-CA 3.3Å; I115-A239 WeakPolarHBondContact O-CA 3.42Å; I134-A239 HydrophobicContact CB-CB 4.22Å; I134-A239 HydrophobicContact CD1-CB 3.75Å; I134-A239 HydrophobicContact CG1-CB 4.21Å; I134-A239 PolarHBondContact N-O 3.47Å; Y168-A239 HydrophobicContact CD1-CB 4.15Å; Y168-A239 HydrophobicContact CE1-CB 3.91Å; T223-A239 HydrophobicContact CG2-CB 4.09Å; V237-A239 HydrophobicContact CG1-CB 4.28Å
240	V	98	Very high	95.8	Very high	1 Å²	1	17 Å²	17	1%	0.006	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.5	-179.5	-179.2	0	0	0	0	109.7	I115 T116 N117 F131 V132 L133 W276 F277	I115-V240 PolarHBondContact O-N 3.3Å; T116-V240 VanDerWaalsContact CA-O 3.27Å; T116-V240 WeakPolarHBondContact CA-O 3.27Å; T116-V240 HydrophobicContact CG2-CB 4.37Å; N117-V240 PolarHBondContact N-O 2.7Å; N117-V240 VanDerWaalsContact N-O 3.09Å; F131-V240 HydrophobicContact CB-CG1 4.03Å; F131-V240 HydrophobicContact CD1-CG1 4.25Å; V132-V240 WeakPolarHBondContact O-CA 3.35Å; L133-V240 HydrophobicContact CD2-CG2 3.83Å; V240-W276 HydrophobicContact CG1-CH2 4.33Å; V240-W276 HydrophobicContact CG1-CZ3 3.82Å; V240-W276 HydrophobicContact CG2-CH2 4.35Å; V240-W276 HydrophobicContact CG2-CZ3 4.32Å; V240-F277 HydrophobicContact CB-CE2 4.2Å; V240-F277 HydrophobicContact CB-CZ 4.04Å; V240-F277 HydrophobicContact CG2-CE2 3.89Å; V240-F277 HydrophobicContact CG2-CZ 3.76Å
241	S	97.6	Very high	95.3	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.9	169.8	-52.2	0	0	0	0	109.7	N117 F131 V132 I134 Y194	N117-S241 PolarHBondContact ND2-OG 3.32Å; N117-S241 WeakPolarHBondContact OD1-CA 3.33Å; N117-S241 VanDerWaalsContact OD1-CB 3.28Å; N117-S241 WeakPolarHBondContact OD1-CB 3.31Å; N117-S241 PolarHBondContact OD1-OG 3.27Å; N117-S241 VanDerWaalsContact OD1-OG 3.07Å; F131-S241 CarbonylContact C-O 3.51Å; F131-S241 WeakPolarHBondContact CA-O 3.36Å; V132-S241 PolarHBondContact N-O 2.93Å; V132-S241 PolarHBondContact O-N 3.46Å; I134-S241 WeakPolarHBondContact CD1-OG 3.26Å; Y194-S241 WeakPolarHBondContact CD2-OG 3.42Å
242	L	96.7	Very high	94.9	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.2	166.6	165.2	61.4	0	0	0	108.7	N117 L118 A119 F131 A244 V265 R269	N117-L242 PolarHBondContact O-N 2.69Å; L118-L242 WeakPolarHBondContact CA-O 3.24Å; L118-L242 HydrophobicContact CD2-CB 3.89Å; L118-L242 HydrophobicContact CD2-CD2 3.63Å; L118-L242 HydrophobicContact CD2-CG 3.66Å; A119-L242 PolarHBondContact N-O 3.5Å; F131-L242 HydrophobicContact CD1-CB 4.23Å; F131-L242 HydrophobicContact CD1-CD1 4.04Å; F131-L242 HydrophobicContact CE1-CB 4.33Å; F131-L242 HydrophobicContact CE1-CD1 3.79Å; F131-L242 HydrophobicContact CE1-CG 4.47Å; L242-A244 PolarHBondContact O-N 3.22Å; L242-V265 HydrophobicContact CD1-CG1 4.3Å; L242-R269 HydrophobicContact CD1-CB 4.02Å; L242-R269 HydrophobicContact CD1-CG 3.8Å; L242-R269 HydrophobicContact CD2-CB 3.77Å; L242-R269 HydrophobicContact CD2-CG 4.36Å
243	I	97	Very high	94.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	109.6	-176	-54.2	-49.1	0	0	0	109.6	A119 L126 K127 S128 G129 D130 V132 V218 N245	A119-I243 HydrophobicContact CB-CD1 4.41Å; A119-I243 WeakPolarHBondContact O-CA 3.33Å; L126-I243 HydrophobicContact CD1-CD1 4.25Å; L126-I243 HydrophobicContact CD1-CG1 4.38Å; K127-I243 WeakPolarHBondContact O-CB 3.28Å; K127-I243 WeakPolarHBondContact O-CG2 3.11Å; S128-I243 CarbonylContact C-O 3.59Å; S128-I243 WeakPolarHBondContact CA-O 3.49Å; G129-I243 PolarHBondContact N-O 3.16Å; D130-I243 HydrophobicContact CB-CB 4.42Å; D130-I243 HydrophobicContact CB-CG1 4.18Å; D130-I243 WeakPolarHBondContact O-CG1 3.17Å; D130-I243 PolarHBondContact O-N 2.93Å; V132-I243 HydrophobicContact CB-CD1 4.48Å; V132-I243 HydrophobicContact CG2-CD1 3.75Å; V132-I243 HydrophobicContact CG2-CG1 3.95Å; V218-I243 HydrophobicContact CB-CD1 4.3Å; V218-I243 HydrophobicContact CG1-CD1 3.42Å; V218-I243 VanDerWaalsContact CG1-CD1 3.42Å; I243-N245 WeakPolarHBondContact CG2-O 3.46Å
244	A	94.1	Very high	93.9	Very high	7 Å²	7	35.1 Å²	35.1	6%	0.058	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-39.2	177.6	0	0	0	0	0	111.9	A119 S128 L242 V262	A119-A244 PolarHBondContact O-N 2.88Å; S128-A244 WeakPolarHBondContact CB-O 3.41Å; S128-A244 PolarHBondContact OG-O 2.82Å; L242-A244 PolarHBondContact O-N 3.22Å; A244-V262 HydrophobicContact CB-CB 4.1Å; A244-V262 HydrophobicContact CB-CG1 3.98Å; A244-V262 HydrophobicContact CB-CG2 3.79Å
245	N	93.3	Very high	93.4	Very high	24 Å²	24	35.5 Å²	35.5	13%	0.128	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	171.6	-173.9	68.2	-70.5	0	0	0	109.7	G121 I243 D250 I257	G121-N245 PolarHBondContact N-O 2.78Å; I243-N245 WeakPolarHBondContact CG2-O 3.46Å; N245-D250 WeakPolarHBondContact CB-OD2 3.38Å; N245-D250 PolarHBondContact ND2-OD2 3.29Å; N245-I257 WeakPolarHBondContact ND2-CD1 3.43Å
246	N	95.6	Very high	92.8	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.037	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	102.6	171.2	-172.9	-50.1	0	0	0	108.6	G121 N123 L126 I248 L249 D250	G121-N246 CarbonylContact O-C 3.52Å; G121-N246 WeakPolarHBondContact O-CA 3.44Å; G121-N246 PolarHBondContact O-OD1 3.28Å; N123-N246 PolarHBondContact O-ND2 2.97Å; L126-N246 PolarHBondContact O-ND2 3.4Å; N246-I248 PolarHBondContact O-N 2.8Å; N246-I248 PolarHBondContact OD1-N 3.43Å; N246-L249 HydrophobicContact CB-CB 4.14Å; N246-L249 HydrophobicContact CB-CD1 3.97Å; N246-L249 HydrophobicContact CB-CG 4.11Å; N246-L249 PolarHBondContact O-N 3.16Å; N246-L249 PolarHBondContact OD1-N 2.85Å; N246-D250 WeakPolarHBondContact O-CB 3.44Å; N246-D250 PolarHBondContact O-N 2.93Å
247	S	88.3	Confident	92.1	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.028	21%	0.205	C	C	.	.	H	α-helix	trans	-62.8	-27.3	-171.1	62.3	0	0	0	0	114	G121 I122 S208 A251	G121-S247 PolarHBondContact O-N 3.22Å; G121-S247 PolarHBondContact O-OG 3.42Å; I122-S247 WeakPolarHBondContact CD1-OG 3.35Å; S208-S247 WeakPolarHBondContact CB-OG 3.48Å; S208-S247 VanDerWaalsContact OG-CB 3.27Å; S208-S247 WeakPolarHBondContact OG-CB 3.48Å; S208-S247 PolarHBondContact OG-OG 2.99Å; S247-A251 VanDerWaalsContact O-CB 3.28Å; S247-A251 WeakPolarHBondContact O-CB 3.49Å; S247-A251 PolarHBondContact O-N 3.06Å
248	I	91.6	Very high	91.5	Very high	9 Å²	9	38.3 Å²	38.3	5%	0.046	22%	0.217	C	C	.	.	H	α-helix	trans	-70.7	-46.3	173.6	-65.7	-65	0	0	0	110.5	I122 R124 L212 N246 A251 E252	I122-I248 HydrophobicContact CG2-CG1 4.44Å; I122-I248 WeakPolarHBondContact O-CG1 3.34Å; R124-I248 HydrophobicContact CG-CG2 4.13Å; R124-I248 VanDerWaalsContact CZ-CG2 3.48Å; L212-I248 HydrophobicContact CB-CD1 4.08Å; L212-I248 HydrophobicContact CB-CG1 4.44Å; L212-I248 HydrophobicContact CD2-CD1 4.07Å; L212-I248 HydrophobicContact CD2-CG1 4.21Å; L212-I248 HydrophobicContact CD2-CG2 4.48Å; N246-I248 PolarHBondContact O-N 2.8Å; N246-I248 PolarHBondContact OD1-N 3.43Å; I248-A251 PolarHBondContact O-N 2.78Å; I248-E252 WeakPolarHBondContact O-CG 3.15Å; I248-E252 PolarHBondContact O-N 3.28Å; I248-E252 VanDerWaalsContact O-N 3.08Å
249	L	86.5	Confident	90.7	Very high	63 Å²	63	43 Å²	43	33%	0.33	24%	0.238	S	C	.	.	H	α-helix	trans	-68.4	-37.9	177.9	-62.2	179.6	0	0	0	111.3	N246 A251 E252 N253	N246-L249 HydrophobicContact CB-CB 4.14Å; N246-L249 HydrophobicContact CB-CD1 3.97Å; N246-L249 HydrophobicContact CB-CG 4.11Å; N246-L249 PolarHBondContact O-N 3.16Å; N246-L249 PolarHBondContact OD1-N 2.85Å; L249-A251 VanDerWaalsContact C-N 3.34Å; L249-E252 PolarHBondContact O-N 2.95Å; L249-N253 PolarHBondContact O-N 3.27Å; L249-N253 VanDerWaalsContact O-N 3.14Å; L249-N253 PolarHBondContact O-ND2 2.85Å
250	D	88.4	Confident	90.1	Very high	29 Å²	29	49.6 Å²	49.6	16%	0.155	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-44.1	176.7	-63.8	-29.4	0	0	0	110.5	N245 N246 E252 N253 D254 V255	N245-D250 WeakPolarHBondContact CB-OD2 3.38Å; N245-D250 PolarHBondContact ND2-OD2 3.29Å; N246-D250 WeakPolarHBondContact O-CB 3.44Å; N246-D250 PolarHBondContact O-N 2.93Å; D250-E252 PolarHBondContact O-N 3.37Å; D250-N253 CarbonylContact O-C 3.52Å; D250-N253 PolarHBondContact O-N 3.46Å; D250-D254 PolarHBondContact O-N 3.3Å; D250-V255 HydrophobicContact CB-CB 4.16Å; D250-V255 PolarHBondContact O-N 2.81Å
251	A	87.5	Confident	89.6	Confident	42 Å²	42	54.3 Å²	54.3	35%	0.347	29%	0.289	S	S	.	.	H	α-helix	trans	-62.1	-40.6	175.1	0	0	0	0	0	113.2	P205 S247 I248 L249 N253	P205-A251 HydrophobicContact CB-CB 3.76Å; P205-A251 HydrophobicContact CG-CB 4.11Å; S247-A251 VanDerWaalsContact O-CB 3.28Å; S247-A251 WeakPolarHBondContact O-CB 3.49Å; S247-A251 PolarHBondContact O-N 3.06Å; I248-A251 PolarHBondContact O-N 2.78Å; L249-A251 VanDerWaalsContact C-N 3.34Å; A251-N253 PolarHBondContact O-N 3.24Å
252	E	90.6	Very high	89.1	Confident	108 Å²	108	54.9 Å²	54.9	51%	0.505	29%	0.293	S	S	.	.	H	α-helix	trans	-67.2	-24.4	177.5	-73.4	177.9	157.8	0	0	113.4	R124 I248 L249 D250	R124-E252 IonicContact CZ-OE1 3.13Å; R124-E252 IonicContact CZ-OE2 3.88Å; R124-E252 IonicContact NH1-OE1 2.76Å; R124-E252 PolarHBondContact NH1-OE1 3.02Å; R124-E252 IonicContact NH1-OE2 2.86Å; R124-E252 PolarHBondContact NH1-OE2 3.27Å; R124-E252 IonicContact NH2-OE1 2.64Å; R124-E252 PolarHBondContact NH2-OE1 3.4Å; I248-E252 WeakPolarHBondContact O-CG 3.15Å; I248-E252 PolarHBondContact O-N 3.28Å; I248-E252 VanDerWaalsContact O-N 3.08Å; L249-E252 PolarHBondContact O-N 2.95Å; D250-E252 PolarHBondContact O-N 3.37Å
253	N	89.1	Confident	88.6	Confident	112 Å²	112	58.3 Å²	58.3	60%	0.599	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	10.2	-176	-64.6	-74.4	0	0	0	113.7	L249 D250 A251 V255	L249-N253 PolarHBondContact O-N 3.27Å; L249-N253 VanDerWaalsContact O-N 3.14Å; L249-N253 PolarHBondContact O-ND2 2.85Å; D250-N253 CarbonylContact O-C 3.52Å; D250-N253 PolarHBondContact O-N 3.46Å; A251-N253 PolarHBondContact O-N 3.24Å; N253-V255 VanDerWaalsContact C-N 3.25Å; N253-V255 HydrophobicContact CB-CG2 3.89Å; N253-V255 PolarHBondContact O-N 3.48Å
254	D	86.8	Confident	88.3	Confident	159 Å²	159	61.3 Å²	61.3	85%	0.85	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	41.1	-177.5	-160.7	27.8	0	0	0	113.3	D250	D250-D254 PolarHBondContact O-N 3.3Å
255	V	87.6	Confident	88.2	Confident	64 Å²	64	61.9 Å²	61.9	39%	0.388	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-95.2	125.3	-179.1	179.8	0	0	0	0	110.3	D250 N253	D250-V255 HydrophobicContact CB-CB 4.16Å; D250-V255 PolarHBondContact O-N 2.81Å; N253-V255 VanDerWaalsContact C-N 3.25Å; N253-V255 HydrophobicContact CB-CG2 3.89Å; N253-V255 PolarHBondContact O-N 3.48Å
256	S	85.9	Confident	88	Confident	84 Å²	84	60.9 Å²	60.9	59%	0.587	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-73	137.7	175.3	60.2	0	0	0	0	113.2	K261	S256-K261 PolarHBondContact O-NZ 3.14Å
257	I	84.6	Confident	87.8	Confident	42 Å²	42	66 Å²	66	22%	0.215	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-91.1	131.5	171.7	-54.9	170.1	0	0	0	108.2	Y202 N245	Y202-I257 HydrophobicContact CD1-CG2 3.83Å; Y202-I257 HydrophobicContact CD2-CG2 4.05Å; Y202-I257 HydrophobicContact CE1-CG2 3.87Å; Y202-I257 HydrophobicContact CE2-CG2 4.1Å; Y202-I257 HydrophobicContact CG-CB 4.48Å; Y202-I257 HydrophobicContact CG-CG2 3.93Å; N245-I257 WeakPolarHBondContact ND2-CD1 3.43Å
258	N	85.1	Confident	88.1	Confident	46 Å²	46	73.3 Å²	73.3	25%	0.246	39%	0.388	C	S	.	.			trans	-145.1	160.1	174.9	66.8	50.7	0	0	0	111.8	E260 K261 V262	N258-E260 VanDerWaalsContact C-N 3.32Å; N258-E260 PolarHBondContact O-N 2.82Å; N258-E260 PolarHBondContact OD1-N 3.06Å; N258-E260 PolarHBondContact OD1-OE2 3.07Å; N258-K261 PolarHBondContact O-N 2.79Å; N258-K261 WeakPolarHBondContact OD1-CB 3.47Å; N258-K261 VanDerWaalsContact OD1-CG 3.28Å; N258-K261 WeakPolarHBondContact OD1-CG 3.28Å; N258-K261 PolarHBondContact OD1-N 3.33Å; N258-V262 VanDerWaalsContact O-CG2 3.29Å; N258-V262 WeakPolarHBondContact O-CG2 3.37Å; N258-V262 PolarHBondContact O-N 2.96Å
259	H	82.1	Confident	88.2	Confident	100 Å²	100	75 Å²	75	46%	0.463	39%	0.394	S	S	.	.	H	α-helix	trans	-68.4	-31.5	-172.9	-166.5	69	0	0	0	112.5	V262 L263	H259-V262 WeakPolarHBondContact O-CB 3.16Å; H259-V262 PolarHBondContact O-N 3.24Å; H259-L263 WeakPolarHBondContact O-CG 3.26Å; H259-L263 PolarHBondContact O-N 3.05Å
260	E	86.9	Confident	88.5	Confident	138 Å²	138	72 Å²	72	65%	0.645	38%	0.379	S	S	*	.	H	α-helix	trans	-64.9	-44.6	179.6	-62.6	76.4	-168.4	0	0	111.7	N258 V262 L263 A264	N258-E260 VanDerWaalsContact C-N 3.32Å; N258-E260 PolarHBondContact O-N 2.82Å; N258-E260 PolarHBondContact OD1-N 3.06Å; N258-E260 PolarHBondContact OD1-OE2 3.07Å; E260-V262 VanDerWaalsContact C-N 3.29Å; E260-V262 PolarHBondContact O-N 3.2Å; E260-L263 PolarHBondContact O-N 2.75Å; E260-A264 WeakPolarHBondContact O-CB 3.28Å; E260-A264 PolarHBondContact O-N 3.13Å
261	K	87.2	Confident	88.8	Confident	100 Å²	100	75 Å²	75	44%	0.435	40%	0.395	S	S	.	.	H	α-helix	trans	-61.1	-41.3	173.6	-73.5	174.4	-175.7	177.6	0	111	S256 N258 A264 V265	S256-K261 PolarHBondContact O-NZ 3.14Å; N258-K261 PolarHBondContact O-N 2.79Å; N258-K261 WeakPolarHBondContact OD1-CB 3.47Å; N258-K261 VanDerWaalsContact OD1-CG 3.28Å; N258-K261 WeakPolarHBondContact OD1-CG 3.28Å; N258-K261 PolarHBondContact OD1-N 3.33Å; K261-A264 PolarHBondContact O-N 2.85Å; K261-V265 WeakPolarHBondContact O-CG2 3.48Å; K261-V265 PolarHBondContact O-N 3.04Å; K261-V265 VanDerWaalsContact O-N 3.17Å
262	V	86.3	Confident	89.2	Confident	13 Å²	13	75.2 Å²	75.2	8%	0.079	39%	0.39	C	S	.	.	H	α-helix	trans	-61.4	-45.9	178.7	169.4	0	0	0	0	111	L118 A244 N258 H259 E260 V265 A266	L118-V262 HydrophobicContact CB-CG1 4.22Å; L118-V262 HydrophobicContact CD1-CG1 3.36Å; L118-V262 HydrophobicContact CG-CG1 4.33Å; A244-V262 HydrophobicContact CB-CB 4.1Å; A244-V262 HydrophobicContact CB-CG1 3.98Å; A244-V262 HydrophobicContact CB-CG2 3.79Å; N258-V262 VanDerWaalsContact O-CG2 3.29Å; N258-V262 WeakPolarHBondContact O-CG2 3.37Å; N258-V262 PolarHBondContact O-N 2.96Å; H259-V262 WeakPolarHBondContact O-CB 3.16Å; H259-V262 PolarHBondContact O-N 3.24Å; E260-V262 VanDerWaalsContact C-N 3.29Å; E260-V262 PolarHBondContact O-N 3.2Å; V262-V265 PolarHBondContact O-N 2.94Å; V262-A266 PolarHBondContact O-N 2.86Å
263	L	86.2	Confident	89.5	Confident	74 Å²	74	70.2 Å²	70.2	39%	0.387	37%	0.366	S	S	.	.	H	α-helix	trans	-67.1	-36.8	176.1	-68.6	179.6	0	0	0	113	H259 E260 V265 A266 E267	H259-L263 WeakPolarHBondContact O-CG 3.26Å; H259-L263 PolarHBondContact O-N 3.05Å; E260-L263 PolarHBondContact O-N 2.75Å; L263-V265 VanDerWaalsContact C-N 3.31Å; L263-V265 PolarHBondContact O-N 3.25Å; L263-A266 WeakPolarHBondContact O-CB 3.27Å; L263-A266 PolarHBondContact O-N 2.91Å; L263-A266 VanDerWaalsContact O-N 3.17Å; L263-E267 PolarHBondContact O-N 3Å
264	A	90.8	Very high	89.7	Confident	62 Å²	62	65.9 Å²	65.9	51%	0.512	34%	0.343	S	S	.	.	H	α-helix	trans	-63	-37.6	177.9	0	0	0	0	0	112.4	E260 K261 K268	E260-A264 WeakPolarHBondContact O-CB 3.28Å; E260-A264 PolarHBondContact O-N 3.13Å; K261-A264 PolarHBondContact O-N 2.85Å; A264-K268 WeakPolarHBondContact O-CB 3.43Å; A264-K268 PolarHBondContact O-N 2.94Å; A264-K268 VanDerWaalsContact O-N 3.08Å
265	V	92	Very high	90.1	Very high	20 Å²	20	61.4 Å²	61.4	12%	0.121	32%	0.317	C	S	.	.	H	α-helix	trans	-67.9	-39.2	174.2	176.4	0	0	0	0	111.1	S128 L242 K261 V262 L263 K268 R269	S128-V265 VanDerWaalsContact OG-CG2 3.3Å; S128-V265 WeakPolarHBondContact OG-CG2 3.35Å; L242-V265 HydrophobicContact CD1-CG1 4.3Å; K261-V265 WeakPolarHBondContact O-CG2 3.48Å; K261-V265 PolarHBondContact O-N 3.04Å; K261-V265 VanDerWaalsContact O-N 3.17Å; V262-V265 PolarHBondContact O-N 2.94Å; L263-V265 VanDerWaalsContact C-N 3.31Å; L263-V265 PolarHBondContact O-N 3.25Å; V265-K268 PolarHBondContact O-N 3.4Å; V265-R269 PolarHBondContact O-N 2.92Å
266	A	90.1	Very high	90.6	Very high	3 Å²	3	58.4 Å²	58.4	3%	0.025	30%	0.299	C	S	.	.	H	α-helix	trans	-58.7	-48	175.2	0	0	0	0	0	111.7	L118 V262 L263 K268 R269 A270	L118-A266 HydrophobicContact CD1-CB 3.91Å; L118-A266 HydrophobicContact CD2-CB 4.07Å; V262-A266 PolarHBondContact O-N 2.86Å; L263-A266 WeakPolarHBondContact O-CB 3.27Å; L263-A266 PolarHBondContact O-N 2.91Å; L263-A266 VanDerWaalsContact O-N 3.17Å; A266-K268 PolarHBondContact O-N 3.38Å; A266-R269 PolarHBondContact O-N 3.06Å; A266-A270 PolarHBondContact O-N 3.24Å
267	E	91.1	Very high	91.1	Very high	113 Å²	113	54.4 Å²	54.4	53%	0.528	27%	0.271	S	S	.	.	H	α-helix	trans	-62.1	-43.6	177.3	-173.9	57	-143.6	0	0	111.5	K39 L263 R269 A270	K39-E267 WeakPolarHBondContact CE-OE1 3.46Å; K39-E267 IonicContact NZ-OE1 2.69Å; K39-E267 PolarHBondContact NZ-OE1 2.81Å; L263-E267 PolarHBondContact O-N 3Å; E267-R269 PolarHBondContact O-N 3.49Å; E267-R269 VanDerWaalsContact O-N 3.12Å; E267-A270 PolarHBondContact O-N 2.81Å
268	K	93.7	Very high	91.7	Very high	159 Å²	159	56 Å²	56	69%	0.691	28%	0.277	S	S	*	.	H	α-helix	trans	-60.3	-23.6	178.5	-173.9	179.8	178.1	-176.1	0	113.7	A264 V265 A266	A264-K268 WeakPolarHBondContact O-CB 3.43Å; A264-K268 PolarHBondContact O-N 2.94Å; A264-K268 VanDerWaalsContact O-N 3.08Å; V265-K268 PolarHBondContact O-N 3.4Å; A266-K268 PolarHBondContact O-N 3.38Å
269	R	94.7	Very high	92.2	Very high	44 Å²	44	56.4 Å²	56.4	17%	0.166	28%	0.277	C	S	.	.	H	α-helix	trans	-111.3	-3.1	-178	-70.3	-65.4	-168.1	-106.7	2.5	114	G129 F131 L242 V265 A266 E267 D271 L272 L273	G129-R269 PolarHBondContact O-NE 3.13Å; G129-R269 PolarHBondContact O-NH2 2.94Å; F131-R269 HydrophobicContact CE1-CB 4.31Å; F131-R269 HydrophobicContact CZ-CB 4.12Å; F131-R269 HydrophobicContact CZ-CG 4.33Å; L242-R269 HydrophobicContact CD1-CB 4.02Å; L242-R269 HydrophobicContact CD1-CG 3.8Å; L242-R269 HydrophobicContact CD2-CB 3.77Å; L242-R269 HydrophobicContact CD2-CG 4.36Å; V265-R269 PolarHBondContact O-N 2.92Å; A266-R269 PolarHBondContact O-N 3.06Å; E267-R269 PolarHBondContact O-N 3.49Å; E267-R269 VanDerWaalsContact O-N 3.12Å; R269-D271 PolarHBondContact O-N 2.92Å; R269-L272 PolarHBondContact O-N 2.75Å; R269-L273 WeakPolarHBondContact O-CB 3.28Å; R269-L273 PolarHBondContact O-N 3.16Å
270	A	92.8	Very high	93	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-57.4	-49.4	-172.5	0	0	0	0	0	112.7	G36 K39 A266 E267 L273 Q274	G36-A270 WeakPolarHBondContact O-CA 3.48Å; G36-A270 WeakPolarHBondContact O-CB 3.49Å; K39-A270 HydrophobicContact CD-CB 3.95Å; A266-A270 PolarHBondContact O-N 3.24Å; E267-A270 PolarHBondContact O-N 2.81Å; A270-L273 PolarHBondContact O-N 2.86Å; A270-Q274 VanDerWaalsContact O-CB 3.29Å; A270-Q274 WeakPolarHBondContact O-CB 3.24Å; A270-Q274 PolarHBondContact O-N 3.46Å
271	D	94.4	Very high	93.5	Very high	92 Å²	92	45.1 Å²	45.1	49%	0.492	22%	0.224	S	C	.	.	H	α-helix	trans	-68.2	-38.9	-175.6	-55.5	-72.6	0	0	0	112.3	K39 R269 M275	K39-D271 WeakPolarHBondContact CD-OD1 3.21Å; K39-D271 IonicContact NZ-OD1 2.7Å; K39-D271 PolarHBondContact NZ-OD1 2.77Å; K39-D271 IonicContact NZ-OD2 2.81Å; K39-D271 PolarHBondContact NZ-OD2 2.79Å; R269-D271 PolarHBondContact O-N 2.92Å; D271-M275 WeakPolarHBondContact O-CB 3.39Å; D271-M275 PolarHBondContact O-N 2.77Å
272	L	96.2	Very high	93.9	Very high	46 Å²	46	43.1 Å²	43.1	24%	0.241	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-45.3	175.3	179.4	59.2	0	0	0	111.2	F131 F185 L188 R269 M275 W276	F131-L272 HydrophobicContact CE2-CD2 3.77Å; F131-L272 HydrophobicContact CE2-CG 4.21Å; F131-L272 HydrophobicContact CZ-CD2 4.2Å; F131-L272 HydrophobicContact CZ-CG 4.38Å; F185-L272 HydrophobicContact CD1-CD1 3.88Å; F185-L272 HydrophobicContact CD2-CD1 4.36Å; F185-L272 HydrophobicContact CD2-CD2 4.33Å; F185-L272 HydrophobicContact CE1-CD1 4.03Å; F185-L272 HydrophobicContact CG-CD1 4.05Å; F185-L272 HydrophobicContact CG-CD2 4.41Å; F185-L272 HydrophobicContact CZ-CD1 4.36Å; L188-L272 HydrophobicContact CD1-CD2 4.04Å; R269-L272 PolarHBondContact O-N 2.75Å; L272-M275 HydrophobicContact CD1-CE 3.9Å; L272-M275 PolarHBondContact O-N 3Å; L272-W276 WeakPolarHBondContact O-CB 3.43Å; L272-W276 PolarHBondContact O-N 3.11Å
273	L	95.2	Very high	94.5	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-67	-37.9	-179.9	-170.6	60.1	0	0	0	111.6	L37 T116 F131 R269 A270 W276 F277	L37-L273 HydrophobicContact CD2-CB 4.12Å; L37-L273 HydrophobicContact CD2-CD2 3.87Å; L37-L273 HydrophobicContact CD2-CG 3.56Å; L37-L273 HydrophobicContact CG-CD2 3.76Å; L37-L273 HydrophobicContact CG-CG 3.96Å; T116-L273 HydrophobicContact CG2-CD1 4.38Å; T116-L273 HydrophobicContact CG2-CD2 4.16Å; T116-L273 HydrophobicContact CG2-CG 4.49Å; F131-L273 HydrophobicContact CD1-CD1 4.04Å; F131-L273 HydrophobicContact CE1-CB 4.16Å; F131-L273 HydrophobicContact CE1-CD1 3.7Å; F131-L273 HydrophobicContact CE1-CD2 4.34Å; F131-L273 HydrophobicContact CE1-CG 4.27Å; F131-L273 HydrophobicContact CZ-CB 4.3Å; F131-L273 HydrophobicContact CZ-CD1 4.33Å; R269-L273 WeakPolarHBondContact O-CB 3.28Å; R269-L273 PolarHBondContact O-N 3.16Å; A270-L273 PolarHBondContact O-N 2.86Å; L273-W276 HydrophobicContact CD1-CE3 3.87Å; L273-W276 HydrophobicContact CD1-CZ3 4.36Å; L273-W276 PolarHBondContact O-N 3.4Å; L273-F277 HydrophobicContact CD1-CD2 3.81Å; L273-F277 HydrophobicContact CD1-CE2 3.62Å; L273-F277 HydrophobicContact CG-CD2 4.33Å; L273-F277 HydrophobicContact CG-CE2 4.44Å; L273-F277 WeakPolarHBondContact O-CB 3.15Å; L273-F277 WeakPolarHBondContact O-CD2 3.5Å; L273-F277 PolarHBondContact O-N 2.87Å
274	Q	94.6	Very high	94.9	Very high	22 Å²	22	44.2 Å²	44.2	10%	0.103	22%	0.219	C	C	.	.	H	α-helix	trans	-61	-50.7	172.8	174.3	178.8	14.5	0	0	111.5	K39 L40 D43 A270 W276 F277 K278	K39-Q274 PolarHBondContact O-NE2 2.81Å; L40-Q274 HydrophobicContact CB-CG 4.2Å; L40-Q274 HydrophobicContact CD1-CG 4.15Å; D43-Q274 PolarHBondContact OD1-NE2 3.43Å; D43-Q274 PolarHBondContact OD2-NE2 3.32Å; A270-Q274 VanDerWaalsContact O-CB 3.29Å; A270-Q274 WeakPolarHBondContact O-CB 3.24Å; A270-Q274 PolarHBondContact O-N 3.46Å; Q274-W276 VanDerWaalsContact C-N 3.31Å; Q274-W276 PolarHBondContact O-N 3.34Å; Q274-F277 PolarHBondContact O-N 3.1Å; Q274-K278 VanDerWaalsContact O-CB 3.31Å; Q274-K278 WeakPolarHBondContact O-CB 3.31Å; Q274-K278 PolarHBondContact O-N 2.95Å
275	M	95.5	Very high	94.8	Very high	65 Å²	65	46.1 Å²	46.1	32%	0.32	23%	0.225	S	C	.	.	H	α-helix	trans	-57.4	-47.6	176.6	-178.4	-79.6	-72.4	0	0	110.7	N183 F185 D271 L272 F277 K278 E279	N183-M275 HydrophobicContact CB-CE 4.06Å; F185-M275 HydrophobicContact CD1-CE 4.44Å; F185-M275 HydrophobicContact CE1-CE 3.81Å; D271-M275 WeakPolarHBondContact O-CB 3.39Å; D271-M275 PolarHBondContact O-N 2.77Å; L272-M275 HydrophobicContact CD1-CE 3.9Å; L272-M275 PolarHBondContact O-N 3Å; M275-F277 PolarHBondContact O-N 3.32Å; M275-K278 PolarHBondContact O-N 3.28Å; M275-E279 PolarHBondContact O-N 3.14Å
276	W	97.4	Very high	94.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-47.9	-179.1	-171.3	22.6	0	0	0	112.1	F131 L133 A176 A180 F185 V189 V240 L272 L273 Q274 E279 I280	F131-W276 HydrophobicContact CB-CH2 4.18Å; F131-W276 HydrophobicContact CB-CZ3 3.72Å; F131-W276 HydrophobicContact CD1-CZ3 4.25Å; F131-W276 HydrophobicContact CD2-CE3 4.4Å; F131-W276 HydrophobicContact CD2-CZ3 4.01Å; F131-W276 HydrophobicContact CG-CE3 4.4Å; F131-W276 AromaticContact CG-CZ3 3.74Å; F131-W276 HydrophobicContact CG-CZ3 3.74Å; L133-W276 HydrophobicContact CD2-CH2 4Å; L133-W276 HydrophobicContact CD2-CZ2 4.17Å; L133-W276 HydrophobicContact CG-CH2 4.37Å; A176-W276 HydrophobicContact CB-CZ2 3.87Å; A176-W276 PolarHBondContact O-NE1 3.26Å; A180-W276 HydrophobicContact CB-CZ2 4.35Å; F185-W276 AromaticContact CE2-CD2 3.82Å; F185-W276 HydrophobicContact CE2-CD2 3.82Å; F185-W276 HydrophobicContact CE2-CE3 4.11Å; F185-W276 HydrophobicContact CE2-CG 4.04Å; F185-W276 HydrophobicContact CZ-CB 3.89Å; F185-W276 AromaticContact CZ-CD1 3.64Å; F185-W276 AromaticContact CZ-CD2 3.82Å; F185-W276 HydrophobicContact CZ-CD2 3.82Å; F185-W276 HydrophobicContact CZ-CE3 4.5Å; F185-W276 AromaticContact CZ-CG 3.53Å; F185-W276 HydrophobicContact CZ-CG 3.53Å; F185-W276 AromaticContact CZ-NE1 3.91Å; V189-W276 HydrophobicContact CG1-CH2 3.85Å; V189-W276 HydrophobicContact CG1-CZ2 4.12Å; V189-W276 HydrophobicContact CG2-CH2 3.83Å; V189-W276 HydrophobicContact CG2-CZ2 4.09Å; V189-W276 HydrophobicContact CG2-CZ3 4.38Å; V240-W276 HydrophobicContact CG1-CH2 4.33Å; V240-W276 HydrophobicContact CG1-CZ3 3.82Å; V240-W276 HydrophobicContact CG2-CH2 4.35Å; V240-W276 HydrophobicContact CG2-CZ3 4.32Å; L272-W276 WeakPolarHBondContact O-CB 3.43Å; L272-W276 PolarHBondContact O-N 3.11Å; L273-W276 HydrophobicContact CD1-CE3 3.87Å; L273-W276 HydrophobicContact CD1-CZ3 4.36Å; L273-W276 PolarHBondContact O-N 3.4Å; Q274-W276 VanDerWaalsContact C-N 3.31Å; Q274-W276 PolarHBondContact O-N 3.34Å; W276-E279 PolarHBondContact O-N 3.36Å; W276-I280 HydrophobicContact CD2-CD1 4.2Å; W276-I280 HydrophobicContact CG-CD1 4.03Å; W276-I280 WeakPolarHBondContact O-CD1 3.35Å; W276-I280 VanDerWaalsContact O-CG1 3.24Å; W276-I280 WeakPolarHBondContact O-CG1 3.47Å; W276-I280 PolarHBondContact O-N 2.82Å
277	F	96.4	Very high	93.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-69.7	-35.2	179.6	-88.9	-117.3	0	0	0	112.7	L37 L40 L114 T116 V240 L273 Q274 M275 E279 I280 I281	L37-F277 HydrophobicContact CD1-CD1 3.88Å; L37-F277 HydrophobicContact CD1-CE1 4.09Å; L37-F277 HydrophobicContact CD1-CG 4.14Å; L40-F277 HydrophobicContact CD2-CB 3.84Å; L114-F277 HydrophobicContact CB-CD1 4.2Å; L114-F277 HydrophobicContact CB-CE1 3.91Å; L114-F277 HydrophobicContact CD1-CD1 4.38Å; T116-F277 HydrophobicContact CG2-CD1 4.44Å; T116-F277 HydrophobicContact CG2-CD2 4.47Å; T116-F277 HydrophobicContact CG2-CE1 3.63Å; T116-F277 HydrophobicContact CG2-CE2 3.69Å; T116-F277 HydrophobicContact CG2-CZ 3.2Å; V240-F277 HydrophobicContact CB-CE2 4.2Å; V240-F277 HydrophobicContact CB-CZ 4.04Å; V240-F277 HydrophobicContact CG2-CE2 3.89Å; V240-F277 HydrophobicContact CG2-CZ 3.76Å; L273-F277 HydrophobicContact CD1-CD2 3.81Å; L273-F277 HydrophobicContact CD1-CE2 3.62Å; L273-F277 HydrophobicContact CG-CD2 4.33Å; L273-F277 HydrophobicContact CG-CE2 4.44Å; L273-F277 WeakPolarHBondContact O-CB 3.15Å; L273-F277 WeakPolarHBondContact O-CD2 3.5Å; L273-F277 PolarHBondContact O-N 2.87Å; Q274-F277 PolarHBondContact O-N 3.1Å; M275-F277 PolarHBondContact O-N 3.32Å; F277-E279 VanDerWaalsContact C-N 3.33Å; F277-E279 PolarHBondContact O-N 3.5Å; F277-I280 HydrophobicContact CD2-CD1 4.29Å; F277-I280 HydrophobicContact CE2-CD1 4.49Å; F277-I280 PolarHBondContact O-N 3.01Å; F277-I281 WeakPolarHBondContact O-CB 3.41Å; F277-I281 WeakPolarHBondContact O-CD1 3.44Å; F277-I281 WeakPolarHBondContact O-CG1 3.32Å; F277-I281 PolarHBondContact O-N 3.44Å
278	K	96.2	Very high	93.3	Very high	77 Å²	77	57.5 Å²	57.5	34%	0.335	29%	0.287	S	S	.	.	H	α-helix	trans	-60.5	-43.8	173.6	-176.5	172.3	-173.8	168.3	0	111.4	L40 D43 V75 Q274 M275 T282	L40-K278 HydrophobicContact CD1-CB 4.29Å; D43-K278 IonicContact OD2-NZ 3.83Å; V75-K278 HydrophobicContact CG1-CB 4.44Å; V75-K278 HydrophobicContact CG1-CG 3.92Å; Q274-K278 VanDerWaalsContact O-CB 3.31Å; Q274-K278 WeakPolarHBondContact O-CB 3.31Å; Q274-K278 PolarHBondContact O-N 2.95Å; M275-K278 PolarHBondContact O-N 3.28Å; K278-T282 WeakPolarHBondContact O-CB 3.36Å; K278-T282 PolarHBondContact O-N 2.91Å; K278-T282 PolarHBondContact O-OG1 3.24Å
279	E	97.3	Very high	93.3	Very high	54 Å²	54	52.1 Å²	52.1	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-70.7	-38.7	177.8	-167.1	65.3	-169.9	0	0	111.8	I179 M275 W276 F277 I281 T282 R283	I179-E279 HydrophobicContact CD1-CB 4.4Å; I179-E279 HydrophobicContact CD1-CG 4.1Å; I179-E279 HydrophobicContact CG1-CG 4.16Å; I179-E279 HydrophobicContact CG2-CB 3.84Å; I179-E279 HydrophobicContact CG2-CG 3.7Å; M275-E279 PolarHBondContact O-N 3.14Å; W276-E279 PolarHBondContact O-N 3.36Å; F277-E279 VanDerWaalsContact C-N 3.33Å; F277-E279 PolarHBondContact O-N 3.5Å; E279-I281 PolarHBondContact O-N 3.25Å; E279-T282 PolarHBondContact O-N 3Å; E279-R283 WeakPolarHBondContact O-CB 3.33Å; E279-R283 WeakPolarHBondContact O-CG 3.49Å; E279-R283 PolarHBondContact O-N 3.03Å; E279-R283 IonicContact OE1-CZ 2.64Å; E279-R283 IonicContact OE1-NE 3.22Å; E279-R283 PolarHBondContact OE1-NE 2.76Å; E279-R283 IonicContact OE1-NH2 3.38Å; E279-R283 PolarHBondContact OE1-NH2 3.31Å
280	I	97.6	Very high	93.2	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-57.1	-52.3	173.3	-72	161.6	0	0	0	109.9	L114 A176 I179 L238 W276 F277 T282 R283 L284	L114-I280 HydrophobicContact CD1-CG2 4.45Å; A176-I280 HydrophobicContact CB-CD1 3.77Å; A176-I280 HydrophobicContact CB-CG1 4.25Å; I179-I280 HydrophobicContact CD1-CB 4.18Å; I179-I280 HydrophobicContact CD1-CG1 3.6Å; L238-I280 HydrophobicContact CD2-CD1 4.03Å; L238-I280 HydrophobicContact CD2-CG2 4.01Å; W276-I280 HydrophobicContact CD2-CD1 4.2Å; W276-I280 HydrophobicContact CG-CD1 4.03Å; W276-I280 WeakPolarHBondContact O-CD1 3.35Å; W276-I280 VanDerWaalsContact O-CG1 3.24Å; W276-I280 WeakPolarHBondContact O-CG1 3.47Å; W276-I280 PolarHBondContact O-N 2.82Å; F277-I280 HydrophobicContact CD2-CD1 4.29Å; F277-I280 HydrophobicContact CE2-CD1 4.49Å; F277-I280 PolarHBondContact O-N 3.01Å; I280-T282 VanDerWaalsContact C-N 3.32Å; I280-T282 PolarHBondContact O-N 2.72Å; I280-R283 CarbonylContact O-C 3.52Å; I280-R283 PolarHBondContact O-N 3.39Å; I280-L284 WeakPolarHBondContact O-CG 3.3Å; I280-L284 PolarHBondContact O-N 3.08Å
281	I	97.2	Very high	93.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-54.7	-50.3	179.1	-72.8	161.6	0	0	0	110.2	I29 I31 L40 V75 R78 V80 L114 F277 E279 R283 L284	I29-I281 HydrophobicContact CD1-CG2 3.85Å; I31-I281 HydrophobicContact CD1-CD1 3.64Å; L40-I281 HydrophobicContact CD2-CD1 4.35Å; V75-I281 HydrophobicContact CB-CD1 4.4Å; V75-I281 HydrophobicContact CB-CG2 4.07Å; V75-I281 HydrophobicContact CG1-CB 4.41Å; V75-I281 HydrophobicContact CG1-CD1 4.02Å; V75-I281 HydrophobicContact CG1-CG2 4.06Å; V75-I281 WeakPolarHBondContact O-CG2 3.49Å; R78-I281 HydrophobicContact CB-CG2 3.74Å; R78-I281 HydrophobicContact CG-CG2 3.9Å; R78-I281 WeakPolarHBondContact CG-O 3.44Å; R78-I281 PolarHBondContact NH1-O 2.98Å; V80-I281 HydrophobicContact CG1-CG2 4.23Å; L114-I281 HydrophobicContact CD1-CD1 4.14Å; L114-I281 HydrophobicContact CD1-CG1 3.48Å; L114-I281 VanDerWaalsContact CD1-CG1 3.48Å; F277-I281 WeakPolarHBondContact O-CB 3.41Å; F277-I281 WeakPolarHBondContact O-CD1 3.44Å; F277-I281 WeakPolarHBondContact O-CG1 3.32Å; F277-I281 PolarHBondContact O-N 3.44Å; E279-I281 PolarHBondContact O-N 3.25Å; I281-R283 VanDerWaalsContact C-N 3.29Å; I281-R283 PolarHBondContact O-N 2.99Å; I281-L284 PolarHBondContact O-N 3.26Å
282	T	96.9	Very high	93.2	Very high	57 Å²	57	53.3 Å²	53.3	35%	0.35	27%	0.274	S	S	.	.	H	α-helix	trans	-59	-39.9	-178.6	-54.6	0	0	0	0	111.8	K278 E279 I280	K278-T282 WeakPolarHBondContact O-CB 3.36Å; K278-T282 PolarHBondContact O-N 2.91Å; K278-T282 PolarHBondContact O-OG1 3.24Å; E279-T282 PolarHBondContact O-N 3Å; I280-T282 VanDerWaalsContact C-N 3.32Å; I280-T282 PolarHBondContact O-N 2.72Å
283	R	97.4	Very high	93	Very high	104 Å²	104	53.8 Å²	53.8	39%	0.392	28%	0.276	S	S	.	.	H	α-helix	trans	-91.8	2.3	-176.7	-63.5	-168.7	-172.9	-154.4	-1.2	115.6	L175 I179 E182 E279 I280 I281	L175-R283 HydrophobicContact CD1-CB 3.96Å; L175-R283 HydrophobicContact CD2-CB 4.32Å; I179-R283 HydrophobicContact CD1-CB 4.44Å; E182-R283 VanDerWaalsContact CD-NH1 3.28Å; E182-R283 IonicContact OE1-NH1 3.03Å; E182-R283 PolarHBondContact OE1-NH1 3.2Å; E182-R283 IonicContact OE2-CZ 2.65Å; E182-R283 IonicContact OE2-NH1 2.98Å; E182-R283 PolarHBondContact OE2-NH1 3.2Å; E182-R283 IonicContact OE2-NH2 3.02Å; E279-R283 WeakPolarHBondContact O-CB 3.33Å; E279-R283 WeakPolarHBondContact O-CG 3.49Å; E279-R283 PolarHBondContact O-N 3.03Å; E279-R283 IonicContact OE1-CZ 2.64Å; E279-R283 IonicContact OE1-NE 3.22Å; E279-R283 PolarHBondContact OE1-NE 2.76Å; E279-R283 IonicContact OE1-NH2 3.38Å; E279-R283 PolarHBondContact OE1-NH2 3.31Å; I280-R283 CarbonylContact O-C 3.52Å; I280-R283 PolarHBondContact O-N 3.39Å; I281-R283 VanDerWaalsContact C-N 3.29Å; I281-R283 PolarHBondContact O-N 2.99Å
284	L	95.8	Very high	92.9	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.037	30%	0.295	C	S	.	.	S	Bend	trans	-57.2	138.6	174.4	-78.8	174.1	0	0	0	109.9	I29 R78 V112 L172 L175 I280 I281 L286	I29-L284 HydrophobicContact CD1-CD1 3.52Å; I29-L284 HydrophobicContact CG1-CD1 3.74Å; I29-L284 HydrophobicContact CG2-CD1 4.46Å; R78-L284 PolarHBondContact NH1-O 3.41Å; V112-L284 HydrophobicContact CB-CD1 4.38Å; V112-L284 HydrophobicContact CG1-CD1 4.12Å; V112-L284 HydrophobicContact CG1-CD2 4.4Å; L172-L284 HydrophobicContact CD2-CD2 3.3Å; L175-L284 HydrophobicContact CD2-CD2 4.2Å; I280-L284 WeakPolarHBondContact O-CG 3.3Å; I280-L284 PolarHBondContact O-N 3.08Å; I281-L284 PolarHBondContact O-N 3.26Å; L284-L286 PolarHBondContact O-N 2.86Å
285	P	88.8	Confident	92.7	Very high	101 Å²	101	60.2 Å²	60.2	66%	0.656	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-52	142.1	176.8	-26.4	34.4	0	0	0	111.9	R78	R78-P285 PolarHBondContact NH2-O 2.87Å
286	L	77.2	Confident	92.5	Very high	141 Å²	141	59.8 Å²	59.8	74%	0.738	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-82	151.7	162.1	-59	174.6	0	0	0	107.6	L284	L284-L286 PolarHBondContact O-N 2.86Å
287	D	71.7	Confident	92	Very high	176 Å²	176	65.3 Å²	65.3	94%	0.941	34%	0.337	S	S	*	.			trans	-64.8	0	168.6	-77.4	-19.1	0	0	0	112.5	R111	R111-D287 VanDerWaalsContact CZ-CG 3.46Å; R111-D287 IonicContact CZ-OD1 3.12Å; R111-D287 IonicContact CZ-OD2 3.21Å; R111-D287 IonicContact NE-OD2 2.76Å; R111-D287 IonicContact NH1-OD1 2.99Å; R111-D287 PolarHBondContact NH1-OD1 3.19Å; R111-D287 IonicContact NH1-OD2 2.71Å; R111-D287 PolarHBondContact NH1-OD2 3.19Å; R111-D287 IonicContact NH2-OD1 2.66Å; R111-D287 PolarHBondContact NH2-OD1 2.76Å; R111-D287 IonicContact NH2-OD2 3.35Å; R111-D287 PolarHBondContact NH2-OD2 2.64Å

Retrieved 287 of 287 residues in 256.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).