A0A077ZKI4_TRITR Loading...

HTH-type transcriptional regulator MetR

AlphaFold DB (P0A9F9), UniProt , Accession A0A077ZKI4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 317 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	81.6	Confident	92.9	Very high	177 Å²	177	59.9 Å²	59.9	87%	0.872	29%	0.289	S	S	*	.				0	132.2	0	-167.6	171.4	-175.6	0	0	108.9	R43	M1-R43 VanDerWaalsContact N-NH2 3.1Å; M1-R43 PolarHBondContact O-NH1 2.95Å; M1-R43 PolarHBondContact O-NH2 3.22Å
2	I	91.7	Very high	93	Very high	54 Å²	54	55.7 Å²	55.7	28%	0.277	27%	0.271	S	S	.	.			trans	-82.5	151.1	178.9	-59.6	175.2	0	0	0	108.9	H6 L7 L40 L44 L65	I2-H6 HydrophobicContact CG2-CB 4.15Å; I2-L7 HydrophobicContact CG2-CD2 4.23Å; I2-L7 HydrophobicContact CG2-CG 4.45Å; I2-L40 HydrophobicContact CG1-CD1 4.46Å; I2-L44 HydrophobicContact CD1-CD2 4.41Å; I2-L44 HydrophobicContact CG1-CD2 4.24Å; I2-L65 HydrophobicContact CD1-CD1 3.88Å; I2-L65 HydrophobicContact CD1-CD2 3.52Å; I2-L65 HydrophobicContact CD1-CG 4.39Å
3	E	93.6	Very high	93	Very high	83 Å²	83	51.4 Å²	51.4	39%	0.388	25%	0.25	S	S	.	.			trans	-126.6	157.2	178.4	-66.3	173.2	-131.2	0	0	108.8	K5 H6	E3-K5 HydrophobicContact CB-CD 4.46Å; E3-K5 HydrophobicContact CB-CG 4.09Å; E3-K5 VanDerWaalsContact CD-NZ 3.3Å; E3-K5 PolarHBondContact O-N 2.88Å; E3-K5 VanDerWaalsContact O-N 3.14Å; E3-K5 IonicContact OE1-NZ 3.28Å; E3-K5 PolarHBondContact OE1-NZ 3.04Å; E3-K5 WeakPolarHBondContact OE2-CD 3.46Å; E3-K5 WeakPolarHBondContact OE2-CE 2.99Å; E3-K5 IonicContact OE2-NZ 2.66Å; E3-K5 PolarHBondContact OE2-NZ 3.25Å; E3-H6 PolarHBondContact N-ND1 3.09Å; E3-H6 VanDerWaalsContact N-ND1 3.12Å; E3-H6 WeakPolarHBondContact O-CB 3.25Å; E3-H6 PolarHBondContact O-N 3.19Å; E3-H6 IonicContact OE1-CE1 3.51Å
4	V	94	Very high	93	Very high	64 Å²	64	54.9 Å²	54.9	39%	0.388	26%	0.259	S	S	.	.	H	α-helix	trans	-54.6	-36.3	-179.1	177.5	0	0	0	0	112.2	H6 L7 K8 L73 I76	V4-H6 PolarHBondContact O-N 3.12Å; V4-L7 PolarHBondContact O-N 3.4Å; V4-L7 VanDerWaalsContact O-N 3.16Å; V4-K8 HydrophobicContact CG1-CG 4.5Å; V4-K8 PolarHBondContact O-N 3.28Å; V4-L73 HydrophobicContact CG1-CD2 3.86Å; V4-I76 HydrophobicContact CB-CD1 4.42Å; V4-I76 HydrophobicContact CG1-CD1 3.77Å; V4-I76 HydrophobicContact CG2-CD1 3.7Å
5	K	93.1	Very high	92.9	Very high	88 Å²	88	58.1 Å²	58.1	38%	0.383	28%	0.279	S	S	.	.	H	α-helix	trans	-58.1	-35.4	176.7	74.3	-166.5	-175.1	-158.7	0	112.7	E3 K8 T9 Q36	E3-K5 HydrophobicContact CB-CD 4.46Å; E3-K5 HydrophobicContact CB-CG 4.09Å; E3-K5 VanDerWaalsContact CD-NZ 3.3Å; E3-K5 PolarHBondContact O-N 2.88Å; E3-K5 VanDerWaalsContact O-N 3.14Å; E3-K5 IonicContact OE1-NZ 3.28Å; E3-K5 PolarHBondContact OE1-NZ 3.04Å; E3-K5 WeakPolarHBondContact OE2-CD 3.46Å; E3-K5 WeakPolarHBondContact OE2-CE 2.99Å; E3-K5 IonicContact OE2-NZ 2.66Å; E3-K5 PolarHBondContact OE2-NZ 3.25Å; K5-K8 PolarHBondContact O-N 2.66Å; K5-T9 PolarHBondContact O-N 3.14Å; K5-T9 PolarHBondContact O-OG1 3.15Å; K5-T9 VanDerWaalsContact O-OG1 3.07Å; K5-Q36 VanDerWaalsContact CE-NE2 3.29Å
6	H	94.7	Very high	92.8	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.028	28%	0.28	C	S	.	.	H	α-helix	trans	-68.4	-38.7	178.9	-55.9	145.3	0	0	0	111.4	I2 E3 V4 T9 L10 L40	I2-H6 HydrophobicContact CG2-CB 4.15Å; E3-H6 PolarHBondContact N-ND1 3.09Å; E3-H6 VanDerWaalsContact N-ND1 3.12Å; E3-H6 WeakPolarHBondContact O-CB 3.25Å; E3-H6 PolarHBondContact O-N 3.19Å; E3-H6 IonicContact OE1-CE1 3.51Å; V4-H6 PolarHBondContact O-N 3.12Å; H6-T9 PolarHBondContact O-N 3.45Å; H6-L10 WeakPolarHBondContact O-CG 3.4Å; H6-L10 PolarHBondContact O-N 2.95Å; H6-L40 HydrophobicContact CB-CD2 3.75Å
7	L	95.5	Very high	92.7	Very high	9 Å²	9	55.5 Å²	55.5	5%	0.047	28%	0.281	C	S	.	.	H	α-helix	trans	-65.2	-44.6	175.1	-59	-177.2	0	0	0	110.9	I2 V4 T9 L10 Q11 L68 A69 V72 L73	I2-L7 HydrophobicContact CG2-CD2 4.23Å; I2-L7 HydrophobicContact CG2-CG 4.45Å; V4-L7 PolarHBondContact O-N 3.4Å; V4-L7 VanDerWaalsContact O-N 3.16Å; L7-T9 VanDerWaalsContact C-N 3.26Å; L7-T9 PolarHBondContact O-N 3.49Å; L7-L10 PolarHBondContact O-N 2.93Å; L7-Q11 PolarHBondContact O-N 3.4Å; L7-Q11 VanDerWaalsContact O-N 3.1Å; L7-L68 HydrophobicContact CD2-CD2 4.26Å; L7-L68 HydrophobicContact CD2-CG 4.41Å; L7-A69 HydrophobicContact CB-CB 3.78Å; L7-A69 HydrophobicContact CD2-CB 4.1Å; L7-A69 HydrophobicContact CG-CB 4.43Å; L7-V72 HydrophobicContact CD1-CB 4.04Å; L7-V72 HydrophobicContact CD1-CG1 4.02Å; L7-L73 HydrophobicContact CB-CD1 4.13Å; L7-L73 HydrophobicContact CB-CD2 4.1Å; L7-L73 HydrophobicContact CB-CG 4.12Å
8	K	94.4	Very high	92.5	Very high	114 Å²	114	54.4 Å²	54.4	50%	0.496	28%	0.28	S	S	.	.	H	α-helix	trans	-56.7	-42	175.1	-71	-176.2	175.2	-176.2	0	111.4	V4 K5 Q11 A12 L73	V4-K8 HydrophobicContact CG1-CG 4.5Å; V4-K8 PolarHBondContact O-N 3.28Å; K5-K8 PolarHBondContact O-N 2.66Å; K8-Q11 PolarHBondContact O-N 3.12Å; K8-A12 WeakPolarHBondContact O-CB 3.47Å; K8-A12 PolarHBondContact O-N 3.2Å; K8-L73 HydrophobicContact CG-CD1 4.16Å; K8-L73 HydrophobicContact CG-CD2 3.69Å
9	T	94.1	Very high	92.4	Very high	2 Å²	2	53 Å²	53	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-66.2	-42.2	177.3	-57.1	0	0	0	0	113.2	K5 H6 L7 Q11 A12 L13 L26 L33 F37	K5-T9 PolarHBondContact O-N 3.14Å; K5-T9 PolarHBondContact O-OG1 3.15Å; K5-T9 VanDerWaalsContact O-OG1 3.07Å; H6-T9 PolarHBondContact O-N 3.45Å; L7-T9 VanDerWaalsContact C-N 3.26Å; L7-T9 PolarHBondContact O-N 3.49Å; T9-Q11 VanDerWaalsContact C-N 3.3Å; T9-Q11 PolarHBondContact O-N 2.8Å; T9-A12 PolarHBondContact O-N 3.49Å; T9-L13 HydrophobicContact CG2-CD1 3.9Å; T9-L13 HydrophobicContact CG2-CG 4.13Å; T9-L13 WeakPolarHBondContact O-CB 3.41Å; T9-L13 VanDerWaalsContact O-CG 3.28Å; T9-L13 WeakPolarHBondContact O-CG 3.26Å; T9-L13 PolarHBondContact O-N 3.31Å; T9-L26 HydrophobicContact CG2-CD1 4.12Å; T9-L33 HydrophobicContact CG2-CD1 3.46Å; T9-L33 VanDerWaalsContact CG2-CD1 3.46Å; T9-L33 HydrophobicContact CG2-CD2 4.02Å; T9-L33 HydrophobicContact CG2-CG 3.96Å; T9-F37 HydrophobicContact CG2-CD2 3.8Å; T9-F37 HydrophobicContact CG2-CE1 4.48Å; T9-F37 HydrophobicContact CG2-CE2 3.1Å; T9-F37 HydrophobicContact CG2-CZ 3.48Å; T9-F37 VanDerWaalsContact CG2-CZ 3.48Å
10	L	95.1	Very high	92.4	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-58.6	-44	175.9	-72.1	169.1	0	0	0	111.4	H6 L7 L13 R14 F37 L48 F58 L65 L66	H6-L10 WeakPolarHBondContact O-CG 3.4Å; H6-L10 PolarHBondContact O-N 2.95Å; L7-L10 PolarHBondContact O-N 2.93Å; L10-L13 PolarHBondContact O-N 3Å; L10-R14 PolarHBondContact O-N 3.36Å; L10-F37 HydrophobicContact CD2-CE1 3.76Å; L10-F37 HydrophobicContact CD2-CZ 4.23Å; L10-F37 HydrophobicContact CG-CE1 4.09Å; L10-F37 HydrophobicContact CG-CZ 4.08Å; L10-L48 HydrophobicContact CD2-CB 4.42Å; L10-L48 HydrophobicContact CD2-CD1 4.34Å; L10-F58 HydrophobicContact CD2-CD1 4.27Å; L10-F58 HydrophobicContact CD2-CE1 3.73Å; L10-L65 HydrophobicContact CD1-CB 3.51Å; L10-L65 HydrophobicContact CD1-CD1 4.46Å; L10-L66 HydrophobicContact CB-CD1 4.24Å
11	Q	94	Very high	92.4	Very high	61 Å²	61	52 Å²	52	29%	0.285	28%	0.28	S	S	.	.	H	α-helix	trans	-63.4	-43.2	176.3	-164.4	-175.9	8.3	0	0	111.8	L7 K8 T9 R14 N15 L73	L7-Q11 PolarHBondContact O-N 3.4Å; L7-Q11 VanDerWaalsContact O-N 3.1Å; K8-Q11 PolarHBondContact O-N 3.12Å; T9-Q11 VanDerWaalsContact C-N 3.3Å; T9-Q11 PolarHBondContact O-N 2.8Å; Q11-R14 PolarHBondContact O-N 3.09Å; Q11-N15 WeakPolarHBondContact O-CB 3.29Å; Q11-N15 PolarHBondContact O-N 3.49Å; Q11-N15 PolarHBondContact O-OD1 3.49Å; Q11-L73 HydrophobicContact CB-CD1 4.28Å
12	A	93.6	Very high	93	Very high	9 Å²	9	43.6 Å²	43.6	7%	0.074	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-41.4	175.8	0	0	0	0	0	112.2	K8 T9 R14 N15 C16 A22 L26	K8-A12 WeakPolarHBondContact O-CB 3.47Å; K8-A12 PolarHBondContact O-N 3.2Å; T9-A12 PolarHBondContact O-N 3.49Å; A12-R14 PolarHBondContact O-N 2.99Å; A12-N15 PolarHBondContact O-N 3.5Å; A12-C16 VanDerWaalsContact O-CB 3.25Å; A12-C16 WeakPolarHBondContact O-CB 3.49Å; A12-C16 PolarHBondContact O-N 2.96Å; A12-C16 PolarHBondContact O-SG 2.93Å; A12-A22 HydrophobicContact CB-CB 4.02Å; A12-L26 HydrophobicContact CB-CD1 3.92Å; A12-L26 HydrophobicContact CB-CD2 4.21Å; A12-L26 HydrophobicContact CB-CG 4.04Å
13	L	93.3	Very high	93.1	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-42.3	176.2	-71.9	168.9	0	0	0	111.8	T9 L10 G17 L19 A22 F37 F49 L56 F58	T9-L13 HydrophobicContact CG2-CD1 3.9Å; T9-L13 HydrophobicContact CG2-CG 4.13Å; T9-L13 WeakPolarHBondContact O-CB 3.41Å; T9-L13 VanDerWaalsContact O-CG 3.28Å; T9-L13 WeakPolarHBondContact O-CG 3.26Å; T9-L13 PolarHBondContact O-N 3.31Å; L10-L13 PolarHBondContact O-N 3Å; L13-G17 WeakPolarHBondContact O-CA 3.48Å; L13-G17 PolarHBondContact O-N 3.32Å; L13-L19 HydrophobicContact CD2-CB 4.38Å; L13-L19 HydrophobicContact CD2-CD1 3.81Å; L13-A22 HydrophobicContact CD2-CB 3.57Å; L13-A22 HydrophobicContact CG-CB 4.02Å; L13-F37 HydrophobicContact CD1-CE1 4.42Å; L13-F49 HydrophobicContact CD1-CD1 4.34Å; L13-F49 HydrophobicContact CD1-CE1 4.35Å; L13-L56 HydrophobicContact CB-CD1 4.05Å; L13-L56 HydrophobicContact CB-CD2 4.28Å; L13-L56 HydrophobicContact CD2-CD1 3.6Å; L13-L56 HydrophobicContact CG-CD1 4.27Å; L13-F58 HydrophobicContact CB-CE1 4.49Å; L13-F58 HydrophobicContact CB-CZ 4.06Å
14	R	93.8	Very high	93.2	Very high	100 Å²	100	40.3 Å²	40.3	38%	0.377	23%	0.234	S	C	.	.	H	α-helix	trans	-61	-49.3	174	-177.3	-166	64.9	-165.9	-5.1	111.1	L10 Q11 A12 F58 L66 N70	L10-R14 PolarHBondContact O-N 3.36Å; Q11-R14 PolarHBondContact O-N 3.09Å; A12-R14 PolarHBondContact O-N 2.99Å; R14-F58 HydrophobicContact CB-CE2 3.9Å; R14-F58 HydrophobicContact CB-CZ 4.02Å; R14-F58 HydrophobicContact CG-CE2 4.41Å; R14-L66 HydrophobicContact CB-CD1 4.13Å; R14-L66 HydrophobicContact CB-CD2 4.29Å; R14-L66 HydrophobicContact CG-CD2 4.28Å; R14-N70 PolarHBondContact NH1-ND2 3.3Å; R14-N70 PolarHBondContact NH1-OD1 3.09Å
15	N	91.3	Very high	93.1	Very high	103 Å²	103	41.3 Å²	41.3	55%	0.551	24%	0.24	S	C	*	.	H	α-helix	trans	-70.8	-35.9	-173.2	-65.6	-4.2	0	0	0	112.5	Q11 A12	Q11-N15 WeakPolarHBondContact O-CB 3.29Å; Q11-N15 PolarHBondContact O-N 3.49Å; Q11-N15 PolarHBondContact O-OD1 3.49Å; A12-N15 PolarHBondContact O-N 3.5Å
16	C	91.7	Very high	93.1	Very high	43 Å²	43	39.4 Å²	39.4	29%	0.291	23%	0.234	S	C	.	.	H	α-helix	trans	-95.5	-16.4	-175.2	-57.7	0	0	0	0	113.9	A12 S18 A21 A22 T25	A12-C16 VanDerWaalsContact O-CB 3.25Å; A12-C16 WeakPolarHBondContact O-CB 3.49Å; A12-C16 PolarHBondContact O-N 2.96Å; A12-C16 PolarHBondContact O-SG 2.93Å; C16-S18 PolarHBondContact O-N 3.39Å; C16-A21 HydrophobicContact CB-CB 3.66Å; C16-A22 HydrophobicContact CB-CB 4.45Å; C16-T25 PolarHBondContact SG-OG1 2.91Å
17	G	89.7	Confident	93.1	Very high	30 Å²	30	47.8 Å²	47.8	31%	0.309	27%	0.273	S	S	.	.	S	Bend	trans	69.5	-0.1	177.6	0	0	0	0	0	116.1	L13 L56	L13-G17 WeakPolarHBondContact O-CA 3.48Å; L13-G17 PolarHBondContact O-N 3.32Å; G17-L56 VanDerWaalsContact O-CB 3.22Å; G17-L56 WeakPolarHBondContact O-CB 3.33Å; G17-L56 PolarHBondContact O-N 2.84Å
18	S	90.5	Very high	93.1	Very high	36 Å²	36	50.9 Å²	50.9	25%	0.252	29%	0.287	S	S	.	.	S	Bend	trans	-150.7	153.6	176.6	73.5	0	0	0	0	112.7	C16 A20 A21 A22	C16-S18 PolarHBondContact O-N 3.39Å; S18-A20 VanDerWaalsContact C-N 3.33Å; S18-A20 PolarHBondContact O-N 3.31Å; S18-A21 PolarHBondContact O-N 3.26Å; S18-A21 VanDerWaalsContact OG-CB 3.24Å; S18-A21 WeakPolarHBondContact OG-CB 3.24Å; S18-A21 PolarHBondContact OG-N 3Å; S18-A22 WeakPolarHBondContact O-CB 3.49Å; S18-A22 PolarHBondContact O-N 2.99Å
19	L	90.7	Very high	93.1	Very high	27 Å²	27	49.9 Å²	49.9	14%	0.141	29%	0.29	C	S	.	.	H	α-helix	trans	-63.8	-38	177.8	-168.8	73.1	0	0	0	112.2	L13 A23 Q30 L33	L13-L19 HydrophobicContact CD2-CB 4.38Å; L13-L19 HydrophobicContact CD2-CD1 3.81Å; L19-A23 VanDerWaalsContact O-CB 3.29Å; L19-A23 WeakPolarHBondContact O-CB 3.33Å; L19-A23 PolarHBondContact O-N 3.02Å; L19-Q30 HydrophobicContact CD2-CG 3.96Å; L19-Q30 HydrophobicContact CG-CG 4.15Å; L19-L33 HydrophobicContact CD1-CB 4.42Å; L19-L33 HydrophobicContact CD1-CD2 3.72Å; L19-L33 HydrophobicContact CD1-CG 4Å; L19-L33 HydrophobicContact CG-CD2 4.32Å
20	A	91.9	Very high	93	Very high	48 Å²	48	55 Å²	55	40%	0.397	31%	0.314	S	S	.	.	H	α-helix	trans	-66	-46.3	179.2	0	0	0	0	0	111.7	S18 A23 A24 Q30	S18-A20 VanDerWaalsContact C-N 3.33Å; S18-A20 PolarHBondContact O-N 3.31Å; A20-A23 PolarHBondContact O-N 3.37Å; A20-A24 PolarHBondContact O-N 3.22Å; A20-Q30 HydrophobicContact CB-CG 4.5Å
21	A	92.6	Very high	92.9	Very high	37 Å²	37	59.5 Å²	59.5	31%	0.306	35%	0.346	S	S	.	.	H	α-helix	trans	-70.1	-36.3	178.9	0	0	0	0	0	112.5	C16 S18 A24 T25	C16-A21 HydrophobicContact CB-CB 3.66Å; S18-A21 PolarHBondContact O-N 3.26Å; S18-A21 VanDerWaalsContact OG-CB 3.24Å; S18-A21 WeakPolarHBondContact OG-CB 3.24Å; S18-A21 PolarHBondContact OG-N 3Å; A21-A24 PolarHBondContact O-N 3.49Å; A21-T25 WeakPolarHBondContact O-CB 3.48Å; A21-T25 PolarHBondContact O-N 3.49Å; A21-T25 PolarHBondContact O-OG1 3.02Å
22	A	93.5	Very high	92.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-63.8	-43	172.5	0	0	0	0	0	111.7	A12 L13 C16 S18 A24 T25 L26 L33	A12-A22 HydrophobicContact CB-CB 4.02Å; L13-A22 HydrophobicContact CD2-CB 3.57Å; L13-A22 HydrophobicContact CG-CB 4.02Å; C16-A22 HydrophobicContact CB-CB 4.45Å; S18-A22 WeakPolarHBondContact O-CB 3.49Å; S18-A22 PolarHBondContact O-N 2.99Å; A22-A24 PolarHBondContact O-N 3.45Å; A22-T25 PolarHBondContact O-N 3.47Å; A22-L26 WeakPolarHBondContact O-CB 3.44Å; A22-L26 VanDerWaalsContact O-CG 3.26Å; A22-L26 WeakPolarHBondContact O-CG 3.45Å; A22-L26 PolarHBondContact O-N 3.27Å; A22-L33 HydrophobicContact CB-CD2 4.06Å
23	A	94.2	Very high	92.9	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.008	35%	0.346	C	S	.	.	H	α-helix	trans	-62	-43.8	176.8	0	0	0	0	0	111.9	L19 A20 T25 L26 H27 Q28 Q30 L33	L19-A23 VanDerWaalsContact O-CB 3.29Å; L19-A23 WeakPolarHBondContact O-CB 3.33Å; L19-A23 PolarHBondContact O-N 3.02Å; A20-A23 PolarHBondContact O-N 3.37Å; A23-T25 VanDerWaalsContact C-N 3.34Å; A23-T25 PolarHBondContact O-N 2.95Å; A23-L26 CarbonylContact O-C 3.49Å; A23-L26 PolarHBondContact O-N 3.3Å; A23-H27 PolarHBondContact O-N 3.09Å; A23-H27 VanDerWaalsContact O-N 3.12Å; A23-Q28 CarbonylContact C-O 3.54Å; A23-Q28 WeakPolarHBondContact CB-O 3.48Å; A23-Q28 PolarHBondContact O-N 3.19Å; A23-Q28 VanDerWaalsContact O-O 3.07Å; A23-Q30 HydrophobicContact CB-CB 4.46Å; A23-L33 HydrophobicContact CB-CB 4.12Å; A23-L33 HydrophobicContact CB-CD2 3.8Å
24	A	94.5	Very high	92.9	Very high	68 Å²	68	59.9 Å²	59.9	56%	0.562	36%	0.357	S	S	*	.	H	α-helix	trans	-59.2	-44.4	174.7	0	0	0	0	0	112.1	A20 A21 A22 L26 H27	A20-A24 PolarHBondContact O-N 3.22Å; A21-A24 PolarHBondContact O-N 3.49Å; A22-A24 PolarHBondContact O-N 3.45Å; A24-L26 VanDerWaalsContact C-N 3.27Å; A24-L26 PolarHBondContact O-N 3.32Å; A24-H27 PolarHBondContact O-N 3Å
25	T	93.5	Very high	92.8	Very high	85 Å²	85	60.7 Å²	60.7	52%	0.521	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-31.6	177.8	-57.1	0	0	0	0	112.6	C16 A21 A22 A23	C16-T25 PolarHBondContact SG-OG1 2.91Å; A21-T25 WeakPolarHBondContact O-CB 3.48Å; A21-T25 PolarHBondContact O-N 3.49Å; A21-T25 PolarHBondContact O-OG1 3.02Å; A22-T25 PolarHBondContact O-N 3.47Å; A23-T25 VanDerWaalsContact C-N 3.34Å; A23-T25 PolarHBondContact O-N 2.95Å
26	L	93.5	Very high	92.8	Very high	48 Å²	48	57.3 Å²	57.3	25%	0.251	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	5.4	179.9	-63.6	169.5	0	0	0	113.2	T9 A12 A22 A23 A24 Q28 L33	T9-L26 HydrophobicContact CG2-CD1 4.12Å; A12-L26 HydrophobicContact CB-CD1 3.92Å; A12-L26 HydrophobicContact CB-CD2 4.21Å; A12-L26 HydrophobicContact CB-CG 4.04Å; A22-L26 WeakPolarHBondContact O-CB 3.44Å; A22-L26 VanDerWaalsContact O-CG 3.26Å; A22-L26 WeakPolarHBondContact O-CG 3.45Å; A22-L26 PolarHBondContact O-N 3.27Å; A23-L26 CarbonylContact O-C 3.49Å; A23-L26 PolarHBondContact O-N 3.3Å; A24-L26 VanDerWaalsContact C-N 3.27Å; A24-L26 PolarHBondContact O-N 3.32Å; L26-Q28 VanDerWaalsContact C-N 3.29Å; L26-Q28 HydrophobicContact CB-CG 4.42Å; L26-Q28 PolarHBondContact O-N 3.17Å; L26-L33 HydrophobicContact CD1-CD1 4.04Å; L26-L33 HydrophobicContact CD1-CD2 4.49Å
27	H	94.8	Very high	92.8	Very high	181 Å²	181	55.2 Å²	55.2	84%	0.838	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	41.8	-175.3	-51.9	-66.8	0	0	0	113.3	A23 A24	A23-H27 PolarHBondContact O-N 3.09Å; A23-H27 VanDerWaalsContact O-N 3.12Å; A24-H27 PolarHBondContact O-N 3Å
28	Q	93.7	Very high	92.9	Very high	74 Å²	74	55.6 Å²	55.6	35%	0.346	33%	0.33	S	S	.	.			trans	-125.2	161.6	177.7	-62.9	-174	-67.6	0	0	111.1	A23 L26	A23-Q28 CarbonylContact C-O 3.54Å; A23-Q28 WeakPolarHBondContact CB-O 3.48Å; A23-Q28 PolarHBondContact O-N 3.19Å; A23-Q28 VanDerWaalsContact O-O 3.07Å; L26-Q28 VanDerWaalsContact C-N 3.29Å; L26-Q28 HydrophobicContact CB-CG 4.42Å; L26-Q28 PolarHBondContact O-N 3.17Å
29	T	94.5	Very high	93.1	Very high	93 Å²	93	56.9 Å²	56.9	57%	0.571	33%	0.334	S	S	*	.			trans	-77.7	148.6	169.2	70.7	0	0	0	0	110.2	S31 A32 L33	T29-S31 PolarHBondContact O-N 3.25Å; T29-A32 PolarHBondContact O-N 3.41Å; T29-A32 VanDerWaalsContact O-N 3.15Å; T29-A32 VanDerWaalsContact OG1-CB 3.25Å; T29-A32 WeakPolarHBondContact OG1-CB 3.23Å; T29-A32 PolarHBondContact OG1-N 2.86Å; T29-A32 VanDerWaalsContact OG1-N 3.14Å; T29-L33 PolarHBondContact O-N 3.11Å
30	Q	92.8	Very high	93.2	Very high	111 Å²	111	55.7 Å²	55.7	52%	0.519	33%	0.327	S	S	.	.	H	α-helix	trans	-56.3	-38.2	176	-177.2	-174	-9.8	0	0	112	L19 A20 A23 L33 S34	L19-Q30 HydrophobicContact CD2-CG 3.96Å; L19-Q30 HydrophobicContact CG-CG 4.15Å; A20-Q30 HydrophobicContact CB-CG 4.5Å; A23-Q30 HydrophobicContact CB-CB 4.46Å; Q30-L33 PolarHBondContact O-N 3.37Å; Q30-S34 WeakPolarHBondContact O-CB 3.35Å; Q30-S34 PolarHBondContact O-N 3.19Å
31	S	93.9	Very high	93.4	Very high	95 Å²	95	53.7 Å²	53.7	66%	0.664	31%	0.31	S	S	*	.	H	α-helix	trans	-64	-45.2	177.5	-173.9	0	0	0	0	111.8	T29 L33 S34 H35	T29-S31 PolarHBondContact O-N 3.25Å; S31-L33 PolarHBondContact O-N 3.39Å; S31-S34 PolarHBondContact O-N 2.79Å; S31-H35 WeakPolarHBondContact O-CB 3.37Å; S31-H35 PolarHBondContact O-N 2.7Å
32	A	93.8	Very high	93.5	Very high	44 Å²	44	59.6 Å²	59.6	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-62.1	-44.5	177.1	0	0	0	0	0	112	T29 S34 H35 Q36	T29-A32 PolarHBondContact O-N 3.41Å; T29-A32 VanDerWaalsContact O-N 3.15Å; T29-A32 VanDerWaalsContact OG1-CB 3.25Å; T29-A32 WeakPolarHBondContact OG1-CB 3.23Å; T29-A32 PolarHBondContact OG1-N 2.86Å; T29-A32 VanDerWaalsContact OG1-N 3.14Å; A32-S34 PolarHBondContact O-N 2.89Å; A32-H35 PolarHBondContact O-N 3.16Å; A32-Q36 WeakPolarHBondContact O-CB 3.46Å; A32-Q36 PolarHBondContact O-N 3.42Å
33	L	93.2	Very high	93.5	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-63.5	-42.6	177.6	-164.7	66.7	0	0	0	111.7	T9 L19 A22 A23 L26 T29 Q30 S31 Q36 F37	T9-L33 HydrophobicContact CG2-CD1 3.46Å; T9-L33 VanDerWaalsContact CG2-CD1 3.46Å; T9-L33 HydrophobicContact CG2-CD2 4.02Å; T9-L33 HydrophobicContact CG2-CG 3.96Å; L19-L33 HydrophobicContact CD1-CB 4.42Å; L19-L33 HydrophobicContact CD1-CD2 3.72Å; L19-L33 HydrophobicContact CD1-CG 4Å; L19-L33 HydrophobicContact CG-CD2 4.32Å; A22-L33 HydrophobicContact CB-CD2 4.06Å; A23-L33 HydrophobicContact CB-CB 4.12Å; A23-L33 HydrophobicContact CB-CD2 3.8Å; L26-L33 HydrophobicContact CD1-CD1 4.04Å; L26-L33 HydrophobicContact CD1-CD2 4.49Å; T29-L33 PolarHBondContact O-N 3.11Å; Q30-L33 PolarHBondContact O-N 3.37Å; S31-L33 PolarHBondContact O-N 3.39Å; L33-Q36 PolarHBondContact O-N 3.14Å; L33-F37 PolarHBondContact O-N 2.99Å; L33-F37 VanDerWaalsContact O-N 3.09Å
34	S	92.1	Very high	93.5	Very high	34 Å²	34	68.2 Å²	68.2	24%	0.238	37%	0.367	C	S	.	.	H	α-helix	trans	-61.1	-44.5	176.8	-168.2	0	0	0	0	112.2	Q30 S31 A32 F37 S38	Q30-S34 WeakPolarHBondContact O-CB 3.35Å; Q30-S34 PolarHBondContact O-N 3.19Å; S31-S34 PolarHBondContact O-N 2.79Å; A32-S34 PolarHBondContact O-N 2.89Å; S34-F37 PolarHBondContact O-N 2.92Å; S34-S38 WeakPolarHBondContact O-CB 3.48Å; S34-S38 PolarHBondContact O-N 3.34Å; S34-S38 PolarHBondContact O-OG 3.38Å
35	H	92.6	Very high	93.6	Very high	117 Å²	117	68.3 Å²	68.3	54%	0.542	38%	0.375	S	S	.	.	H	α-helix	trans	-64.3	-50.2	178.9	-167.2	-72.5	0	0	0	110.5	S31 A32 F37 S38 D39	S31-H35 WeakPolarHBondContact O-CB 3.37Å; S31-H35 PolarHBondContact O-N 2.7Å; A32-H35 PolarHBondContact O-N 3.16Å; H35-F37 VanDerWaalsContact C-N 3.26Å; H35-F37 PolarHBondContact O-N 2.92Å; H35-S38 WeakPolarHBondContact O-CB 3.35Å; H35-S38 PolarHBondContact O-N 3.19Å; H35-D39 IonicContact CE1-OD1 3.12Å; H35-D39 PolarHBondContact CE1-OD1 2.96Å; H35-D39 VanDerWaalsContact CE1-OD1 3.31Å; H35-D39 IonicContact CE1-OD2 3.54Å; H35-D39 PolarHBondContact CE1-OD2 3.04Å; H35-D39 IonicContact ND1-OD1 2.8Å; H35-D39 IonicContact ND1-OD2 3.64Å; H35-D39 PolarHBondContact ND1-OD2 3.01Å; H35-D39 PolarHBondContact O-N 3.16Å
36	Q	91.5	Very high	93.6	Very high	31 Å²	31	67.8 Å²	67.8	15%	0.145	37%	0.365	C	S	.	.	H	α-helix	trans	-53.9	-42.9	178.4	-179.1	-177.1	71.3	0	0	112.3	K5 A32 L33 L40	K5-Q36 VanDerWaalsContact CE-NE2 3.29Å; A32-Q36 WeakPolarHBondContact O-CB 3.46Å; A32-Q36 PolarHBondContact O-N 3.42Å; L33-Q36 PolarHBondContact O-N 3.14Å; Q36-L40 WeakPolarHBondContact O-CB 3.4Å; Q36-L40 PolarHBondContact O-N 3.12Å
37	F	91.4	Very high	93.7	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-75.2	-31.4	177.8	-97.1	-104.5	0	0	0	113.6	T9 L10 L13 L33 S34 H35 D39 L40 E41 L48 F49	T9-F37 HydrophobicContact CG2-CD2 3.8Å; T9-F37 HydrophobicContact CG2-CE1 4.48Å; T9-F37 HydrophobicContact CG2-CE2 3.1Å; T9-F37 HydrophobicContact CG2-CZ 3.48Å; T9-F37 VanDerWaalsContact CG2-CZ 3.48Å; L10-F37 HydrophobicContact CD2-CE1 3.76Å; L10-F37 HydrophobicContact CD2-CZ 4.23Å; L10-F37 HydrophobicContact CG-CE1 4.09Å; L10-F37 HydrophobicContact CG-CZ 4.08Å; L13-F37 HydrophobicContact CD1-CE1 4.42Å; L33-F37 PolarHBondContact O-N 2.99Å; L33-F37 VanDerWaalsContact O-N 3.09Å; S34-F37 PolarHBondContact O-N 2.92Å; H35-F37 VanDerWaalsContact C-N 3.26Å; H35-F37 PolarHBondContact O-N 2.92Å; F37-D39 VanDerWaalsContact C-N 3.35Å; F37-L40 HydrophobicContact CD1-CD2 4.42Å; F37-L40 HydrophobicContact CE1-CD2 4.22Å; F37-L40 HydrophobicContact CZ-CD2 4.35Å; F37-L40 PolarHBondContact O-N 3.37Å; F37-E41 WeakPolarHBondContact O-CB 3.49Å; F37-E41 VanDerWaalsContact O-CG 3.23Å; F37-E41 WeakPolarHBondContact O-CG 3.46Å; F37-E41 PolarHBondContact O-N 3Å; F37-L48 HydrophobicContact CD1-CD1 4.1Å; F37-L48 HydrophobicContact CE1-CD1 3.82Å; F37-F49 HydrophobicContact CB-CE1 4.05Å; F37-F49 HydrophobicContact CB-CZ 4.39Å; F37-F49 HydrophobicContact CD1-CD1 4.24Å; F37-F49 AromaticContact CD1-CE1 3.61Å; F37-F49 HydrophobicContact CD1-CE1 3.61Å; F37-F49 HydrophobicContact CE1-CE1 4.44Å; F37-F49 HydrophobicContact CG-CE1 4.07Å
38	S	92.3	Very high	93.7	Very high	37 Å²	37	63.2 Å²	63.2	26%	0.259	34%	0.337	S	S	.	.	H	α-helix	trans	-65.1	-42.5	173.9	-55.1	0	0	0	0	110.8	S34 H35 L40 E41 Q42 R51	S34-S38 WeakPolarHBondContact O-CB 3.48Å; S34-S38 PolarHBondContact O-N 3.34Å; S34-S38 PolarHBondContact O-OG 3.38Å; H35-S38 WeakPolarHBondContact O-CB 3.35Å; H35-S38 PolarHBondContact O-N 3.19Å; S38-L40 VanDerWaalsContact C-N 3.35Å; S38-E41 PolarHBondContact O-N 3.46Å; S38-Q42 WeakPolarHBondContact O-CB 3.28Å; S38-Q42 PolarHBondContact O-N 3.05Å; S38-R51 PolarHBondContact OG-NH2 2.7Å
39	D	93.4	Very high	93.6	Very high	63 Å²	63	60.2 Å²	60.2	34%	0.337	32%	0.323	S	S	.	.	H	α-helix	trans	-62.8	-42.2	174.3	-62.1	-23.4	0	0	0	111.4	H35 F37 Q42 R43	H35-D39 IonicContact CE1-OD1 3.12Å; H35-D39 PolarHBondContact CE1-OD1 2.96Å; H35-D39 VanDerWaalsContact CE1-OD1 3.31Å; H35-D39 IonicContact CE1-OD2 3.54Å; H35-D39 PolarHBondContact CE1-OD2 3.04Å; H35-D39 IonicContact ND1-OD1 2.8Å; H35-D39 IonicContact ND1-OD2 3.64Å; H35-D39 PolarHBondContact ND1-OD2 3.01Å; H35-D39 PolarHBondContact O-N 3.16Å; F37-D39 VanDerWaalsContact C-N 3.35Å; D39-Q42 PolarHBondContact O-N 3.28Å; D39-R43 WeakPolarHBondContact O-CB 3.22Å; D39-R43 VanDerWaalsContact O-CG 3.23Å; D39-R43 WeakPolarHBondContact O-CG 3.34Å; D39-R43 PolarHBondContact O-N 3.07Å
40	L	94.4	Very high	93.5	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-62	-49.8	176.2	178.9	62.2	0	0	0	111.6	I2 H6 Q36 F37 S38 Q42 R43 L44 L48	I2-L40 HydrophobicContact CG1-CD1 4.46Å; H6-L40 HydrophobicContact CB-CD2 3.75Å; Q36-L40 WeakPolarHBondContact O-CB 3.4Å; Q36-L40 PolarHBondContact O-N 3.12Å; F37-L40 HydrophobicContact CD1-CD2 4.42Å; F37-L40 HydrophobicContact CE1-CD2 4.22Å; F37-L40 HydrophobicContact CZ-CD2 4.35Å; F37-L40 PolarHBondContact O-N 3.37Å; S38-L40 VanDerWaalsContact C-N 3.35Å; L40-Q42 VanDerWaalsContact C-N 3.31Å; L40-Q42 PolarHBondContact O-N 3.4Å; L40-R43 PolarHBondContact O-N 3Å; L40-L44 HydrophobicContact CD1-CD1 3.85Å; L40-L44 HydrophobicContact CD1-CG 4.05Å; L40-L44 HydrophobicContact CD2-CD1 4.5Å; L40-L44 HydrophobicContact CG-CD1 3.84Å; L40-L44 HydrophobicContact CG-CG 4.38Å; L40-L44 WeakPolarHBondContact O-CB 3.41Å; L40-L44 VanDerWaalsContact O-CG 3.3Å; L40-L44 WeakPolarHBondContact O-CG 3.23Å; L40-L44 PolarHBondContact O-N 3.41Å; L40-L48 HydrophobicContact CD2-CD1 3.76Å; L40-L48 HydrophobicContact CG-CD1 4.33Å
41	E	95.4	Very high	93.1	Very high	6 Å²	6	57.9 Å²	57.9	3%	0.028	31%	0.307	C	S	.	.	H	α-helix	trans	-60.7	-39.9	178.1	-73.2	178.9	149	0	0	111.7	F37 S38 R43 L44 G45 F46 R47 L48 R51	F37-E41 WeakPolarHBondContact O-CB 3.49Å; F37-E41 VanDerWaalsContact O-CG 3.23Å; F37-E41 WeakPolarHBondContact O-CG 3.46Å; F37-E41 PolarHBondContact O-N 3Å; S38-E41 PolarHBondContact O-N 3.46Å; E41-R43 VanDerWaalsContact C-N 3.35Å; E41-R43 PolarHBondContact O-N 3.21Å; E41-L44 PolarHBondContact O-N 3.41Å; E41-G45 PolarHBondContact O-N 3.45Å; E41-F46 WeakPolarHBondContact CA-O 3.38Å; E41-F46 WeakPolarHBondContact CB-O 3.44Å; E41-F46 WeakPolarHBondContact CG-O 3.25Å; E41-F46 PolarHBondContact O-N 2.9Å; E41-R47 VanDerWaalsContact CD-CD 3.42Å; E41-R47 VanDerWaalsContact OE1-CA 3.28Å; E41-R47 WeakPolarHBondContact OE1-CA 3.35Å; E41-R47 WeakPolarHBondContact OE2-CD 3.4Å; E41-R47 IonicContact OE2-CZ 2.7Å; E41-R47 IonicContact OE2-NE 2.7Å; E41-R47 IonicContact OE2-NH1 3.21Å; E41-R47 PolarHBondContact OE2-NH1 2.82Å; E41-L48 HydrophobicContact CG-CG 4.14Å; E41-L48 PolarHBondContact OE1-N 2.92Å; E41-R51 IonicContact OE2-CZ 3.56Å; E41-R51 IonicContact OE2-NE 3.48Å; E41-R51 IonicContact OE2-NH2 2.89Å; E41-R51 PolarHBondContact OE2-NH2 2.69Å
42	Q	94.6	Very high	92.5	Very high	161 Å²	161	63.7 Å²	63.7	75%	0.752	32%	0.32	S	S	*	.	H	α-helix	trans	-62.3	-42.2	174.8	-178.3	178.1	-17.2	0	0	111.6	S38 D39 L40 L44	S38-Q42 WeakPolarHBondContact O-CB 3.28Å; S38-Q42 PolarHBondContact O-N 3.05Å; D39-Q42 PolarHBondContact O-N 3.28Å; L40-Q42 VanDerWaalsContact C-N 3.31Å; L40-Q42 PolarHBondContact O-N 3.4Å; Q42-L44 VanDerWaalsContact C-N 3.35Å
43	R	93.6	Very high	92	Very high	138 Å²	138	62.7 Å²	62.7	52%	0.521	31%	0.31	S	S	.	.	H	α-helix	trans	-69.4	-31	177.3	-70.7	167.8	70.4	-160.7	5.1	113.1	M1 D39 L40 E41	M1-R43 VanDerWaalsContact N-NH2 3.1Å; M1-R43 PolarHBondContact O-NH1 2.95Å; M1-R43 PolarHBondContact O-NH2 3.22Å; D39-R43 WeakPolarHBondContact O-CB 3.22Å; D39-R43 VanDerWaalsContact O-CG 3.23Å; D39-R43 WeakPolarHBondContact O-CG 3.34Å; D39-R43 PolarHBondContact O-N 3.07Å; L40-R43 PolarHBondContact O-N 3Å; E41-R43 VanDerWaalsContact C-N 3.35Å; E41-R43 PolarHBondContact O-N 3.21Å
44	L	94.6	Very high	91.5	Very high	44 Å²	44	70.7 Å²	70.7	23%	0.23	35%	0.348	C	S	.	.	H	α-helix	trans	-85.3	-24.1	179.7	-68.8	177.7	0	0	0	112.9	I2 L40 E41 Q42 F46 L48 L65	I2-L44 HydrophobicContact CD1-CD2 4.41Å; I2-L44 HydrophobicContact CG1-CD2 4.24Å; L40-L44 HydrophobicContact CD1-CD1 3.85Å; L40-L44 HydrophobicContact CD1-CG 4.05Å; L40-L44 HydrophobicContact CD2-CD1 4.5Å; L40-L44 HydrophobicContact CG-CD1 3.84Å; L40-L44 HydrophobicContact CG-CG 4.38Å; L40-L44 WeakPolarHBondContact O-CB 3.41Å; L40-L44 VanDerWaalsContact O-CG 3.3Å; L40-L44 WeakPolarHBondContact O-CG 3.23Å; L40-L44 PolarHBondContact O-N 3.41Å; E41-L44 PolarHBondContact O-N 3.41Å; Q42-L44 VanDerWaalsContact C-N 3.35Å; L44-F46 VanDerWaalsContact C-N 3.33Å; L44-F46 HydrophobicContact CB-CD1 4.2Å; L44-F46 HydrophobicContact CB-CD2 4.28Å; L44-F46 HydrophobicContact CB-CE1 3.87Å; L44-F46 HydrophobicContact CB-CE2 3.96Å; L44-F46 HydrophobicContact CB-CG 4.4Å; L44-F46 HydrophobicContact CB-CZ 3.75Å; L44-F46 HydrophobicContact CD1-CE2 3.87Å; L44-F46 HydrophobicContact CD1-CZ 4.04Å; L44-F46 HydrophobicContact CD2-CZ 4.29Å; L44-F46 HydrophobicContact CG-CE2 4.45Å; L44-F46 HydrophobicContact CG-CZ 4.24Å; L44-F46 WeakPolarHBondContact O-CD1 3.14Å; L44-F46 VanDerWaalsContact O-CE1 3.25Å; L44-F46 WeakPolarHBondContact O-CE1 3.26Å; L44-L48 HydrophobicContact CD1-CD1 4.28Å; L44-L48 HydrophobicContact CD1-CD2 4.26Å; L44-L65 HydrophobicContact CD1-CD1 4Å
45	G	95.7	Very high	91.1	Very high	71 Å²	71	73 Å²	73	73%	0.732	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	8.7	-177.3	0	0	0	0	0	114.3	E41	E41-G45 PolarHBondContact O-N 3.45Å
46	F	95	Very high	91	Very high	73 Å²	73	68.8 Å²	68.8	32%	0.32	34%	0.343	S	S	.	.	S	Bend	trans	-147.3	155.6	178.8	50	-99.4	0	0	0	111.9	E41 L44 L48 Q61	E41-F46 WeakPolarHBondContact CA-O 3.38Å; E41-F46 WeakPolarHBondContact CB-O 3.44Å; E41-F46 WeakPolarHBondContact CG-O 3.25Å; E41-F46 PolarHBondContact O-N 2.9Å; L44-F46 VanDerWaalsContact C-N 3.33Å; L44-F46 HydrophobicContact CB-CD1 4.2Å; L44-F46 HydrophobicContact CB-CD2 4.28Å; L44-F46 HydrophobicContact CB-CE1 3.87Å; L44-F46 HydrophobicContact CB-CE2 3.96Å; L44-F46 HydrophobicContact CB-CG 4.4Å; L44-F46 HydrophobicContact CB-CZ 3.75Å; L44-F46 HydrophobicContact CD1-CE2 3.87Å; L44-F46 HydrophobicContact CD1-CZ 4.04Å; L44-F46 HydrophobicContact CD2-CZ 4.29Å; L44-F46 HydrophobicContact CG-CE2 4.45Å; L44-F46 HydrophobicContact CG-CZ 4.24Å; L44-F46 WeakPolarHBondContact O-CD1 3.14Å; L44-F46 VanDerWaalsContact O-CE1 3.25Å; L44-F46 WeakPolarHBondContact O-CE1 3.26Å; F46-L48 HydrophobicContact CD2-CD2 3.79Å; F46-L48 HydrophobicContact CE2-CD2 3.56Å; F46-Q61 HydrophobicContact CB-CG 4.26Å; F46-Q61 HydrophobicContact CD1-CG 4.48Å; F46-Q61 HydrophobicContact CD2-CB 3.4Å; F46-Q61 VanDerWaalsContact CD2-CB 3.4Å; F46-Q61 HydrophobicContact CD2-CG 3.75Å; F46-Q61 HydrophobicContact CE2-CB 3.6Å; F46-Q61 HydrophobicContact CE2-CG 4.15Å; F46-Q61 HydrophobicContact CG-CB 4.11Å; F46-Q61 HydrophobicContact CG-CG 3.92Å; F46-Q61 HydrophobicContact CZ-CB 4.45Å
47	R	94.9	Very high	91.1	Very high	133 Å²	133	75 Å²	75	50%	0.502	37%	0.366	S	S	.	.			trans	-78.5	145.7	174	-62.4	-64.7	-172.5	-179.5	-1.7	110.4	E41 R51 T59	E41-R47 VanDerWaalsContact CD-CD 3.42Å; E41-R47 VanDerWaalsContact OE1-CA 3.28Å; E41-R47 WeakPolarHBondContact OE1-CA 3.35Å; E41-R47 WeakPolarHBondContact OE2-CD 3.4Å; E41-R47 IonicContact OE2-CZ 2.7Å; E41-R47 IonicContact OE2-NE 2.7Å; E41-R47 IonicContact OE2-NH1 3.21Å; E41-R47 PolarHBondContact OE2-NH1 2.82Å; R47-R51 VanDerWaalsContact NH1-NH2 3.11Å; R47-T59 HydrophobicContact CB-CG2 4.08Å; R47-T59 WeakPolarHBondContact O-CB 3.34Å; R47-T59 WeakPolarHBondContact O-CG2 3.38Å; R47-T59 PolarHBondContact O-OG1 3.05Å
48	L	94.8	Very high	91.3	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	37%	0.372	C	S	.	.	S	Bend	trans	-100.8	-24.2	175.5	-59.8	-178.3	0	0	0	112	L10 F37 L40 E41 L44 F46 F58 T59 G62 L65	L10-L48 HydrophobicContact CD2-CB 4.42Å; L10-L48 HydrophobicContact CD2-CD1 4.34Å; F37-L48 HydrophobicContact CD1-CD1 4.1Å; F37-L48 HydrophobicContact CE1-CD1 3.82Å; L40-L48 HydrophobicContact CD2-CD1 3.76Å; L40-L48 HydrophobicContact CG-CD1 4.33Å; E41-L48 HydrophobicContact CG-CG 4.14Å; E41-L48 PolarHBondContact OE1-N 2.92Å; L44-L48 HydrophobicContact CD1-CD1 4.28Å; L44-L48 HydrophobicContact CD1-CD2 4.26Å; F46-L48 HydrophobicContact CD2-CD2 3.79Å; F46-L48 HydrophobicContact CE2-CD2 3.56Å; L48-F58 WeakPolarHBondContact O-CA 3.44Å; L48-T59 WeakPolarHBondContact CA-OG1 3.49Å; L48-T59 PolarHBondContact O-N 3.4Å; L48-T59 PolarHBondContact O-OG1 3.17Å; L48-G62 VanDerWaalsContact O-CA 3.29Å; L48-G62 WeakPolarHBondContact O-CA 3.22Å; L48-L65 HydrophobicContact CD1-CD1 3.97Å; L48-L65 HydrophobicContact CD2-CD1 3.6Å; L48-L65 HydrophobicContact CD2-CG 4.42Å; L48-L65 HydrophobicContact CG-CD1 4.46Å
49	F	92	Very high	91.5	Very high	12 Å²	12	75.5 Å²	75.5	5%	0.053	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-144.4	156.5	175	57.6	-92.3	0	0	0	111.4	L13 F37 R51 R57	L13-F49 HydrophobicContact CD1-CD1 4.34Å; L13-F49 HydrophobicContact CD1-CE1 4.35Å; F37-F49 HydrophobicContact CB-CE1 4.05Å; F37-F49 HydrophobicContact CB-CZ 4.39Å; F37-F49 HydrophobicContact CD1-CD1 4.24Å; F37-F49 AromaticContact CD1-CE1 3.61Å; F37-F49 HydrophobicContact CD1-CE1 3.61Å; F37-F49 HydrophobicContact CE1-CE1 4.44Å; F37-F49 HydrophobicContact CG-CE1 4.07Å; F49-R51 PolarHBondContact O-N 3.49Å; F49-R57 CarbonylContact C-O 3.5Å; F49-R57 VanDerWaalsContact CA-O 3.26Å; F49-R57 WeakPolarHBondContact CA-O 3.48Å; F49-R57 VanDerWaalsContact CB-O 3.31Å; F49-R57 WeakPolarHBondContact CB-O 3.32Å
50	V	91.3	Very high	91.7	Very high	72 Å²	72	77.2 Å²	77.2	44%	0.436	38%	0.379	S	S	.	.			trans	-75.5	117.7	179.6	-177.3	0	0	0	0	108.8	K52 S53 R57	V50-K52 PolarHBondContact O-N 2.9Å; V50-S53 WeakPolarHBondContact O-CB 3.32Å; V50-S53 PolarHBondContact O-N 2.95Å; V50-S53 PolarHBondContact O-OG 3.29Å; V50-R57 HydrophobicContact CB-CB 4.38Å; V50-R57 HydrophobicContact CG2-CB 4.17Å; V50-R57 PolarHBondContact N-O 3.06Å
51	R	84.7	Confident	91.8	Very high	82 Å²	82	81 Å²	81	31%	0.309	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	135.9	178.2	-63.4	-65.5	179.9	155.2	-0	110	S38 E41 R47 F49 S53	S38-R51 PolarHBondContact OG-NH2 2.7Å; E41-R51 IonicContact OE2-CZ 3.56Å; E41-R51 IonicContact OE2-NE 3.48Å; E41-R51 IonicContact OE2-NH2 2.89Å; E41-R51 PolarHBondContact OE2-NH2 2.69Å; R47-R51 VanDerWaalsContact NH1-NH2 3.11Å; F49-R51 PolarHBondContact O-N 3.49Å; R51-S53 PolarHBondContact O-N 3.26Å
52	K	81.6	Confident	91.8	Very high	217 Å²	217	80.7 Å²	80.7	94%	0.943	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	23.9	179.7	-52.3	179.8	179.5	-179.7	0	114.7	V50	V50-K52 PolarHBondContact O-N 2.9Å
53	S	83.9	Confident	91.9	Very high	23 Å²	23	77 Å²	77	16%	0.161	38%	0.378	C	S	.	.			trans	-77.6	134.2	171	54.6	0	0	0	0	111	V50 R51 P55 R57	V50-S53 WeakPolarHBondContact O-CB 3.32Å; V50-S53 PolarHBondContact O-N 2.95Å; V50-S53 PolarHBondContact O-OG 3.29Å; R51-S53 PolarHBondContact O-N 3.26Å; S53-P55 CarbonylContact C-O 3.59Å; S53-P55 WeakPolarHBondContact CB-O 3.36Å; S53-P55 CarbonylContact O-C 3.37Å; S53-R57 PolarHBondContact OG-N 3.47Å
54	Q	81	Confident	92	Very high	169 Å²	169	76.1 Å²	76.1	79%	0.79	38%	0.382	S	S	*	.	S	Bend	trans	-130.8	110.1	172.5	-164.8	76.2	15	0	0	107.6
55	P	85	Confident	92.1	Very high	83 Å²	83	74.9 Å²	74.9	54%	0.539	38%	0.376	S	S	.	.	S	Bend	cis	-65.7	163.7	-2.9	31.5	-36.8	0	0	0	112.4	S53 R57	S53-P55 CarbonylContact C-O 3.59Å; S53-P55 WeakPolarHBondContact CB-O 3.36Å; S53-P55 CarbonylContact O-C 3.37Å; P55-R57 PolarHBondContact O-N 2.86Å
56	L	89.8	Confident	92	Very high	27 Å²	27	71.7 Å²	71.7	14%	0.141	34%	0.342	C	S	.	.			trans	-54.7	129.7	173.2	-178.9	146.5	0	0	0	110.4	L13 G17 F58	L13-L56 HydrophobicContact CB-CD1 4.05Å; L13-L56 HydrophobicContact CB-CD2 4.28Å; L13-L56 HydrophobicContact CD2-CD1 3.6Å; L13-L56 HydrophobicContact CG-CD1 4.27Å; G17-L56 VanDerWaalsContact O-CB 3.22Å; G17-L56 WeakPolarHBondContact O-CB 3.33Å; G17-L56 PolarHBondContact O-N 2.84Å; L56-F58 HydrophobicContact CD2-CD2 4.21Å; L56-F58 HydrophobicContact CD2-CE1 4.3Å; L56-F58 HydrophobicContact CD2-CE2 3.79Å; L56-F58 HydrophobicContact CD2-CZ 3.84Å
57	R	93.9	Very high	91.9	Very high	162 Å²	162	73.1 Å²	73.1	61%	0.611	35%	0.35	S	S	*	.			trans	-120.2	132.6	176.7	-64.5	-175.5	-177.8	-171.6	-1	111.2	F49 V50 S53 P55	F49-R57 CarbonylContact C-O 3.5Å; F49-R57 VanDerWaalsContact CA-O 3.26Å; F49-R57 WeakPolarHBondContact CA-O 3.48Å; F49-R57 VanDerWaalsContact CB-O 3.31Å; F49-R57 WeakPolarHBondContact CB-O 3.32Å; V50-R57 HydrophobicContact CB-CB 4.38Å; V50-R57 HydrophobicContact CG2-CB 4.17Å; V50-R57 PolarHBondContact N-O 3.06Å; S53-R57 PolarHBondContact OG-N 3.47Å; P55-R57 PolarHBondContact O-N 2.86Å
58	F	95.4	Very high	91.9	Very high	29 Å²	29	70 Å²	70	13%	0.127	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-76.8	153	170.3	-66.1	-81.8	0	0	0	111	L10 L13 R14 L48 L56 E63 L66	L10-F58 HydrophobicContact CD2-CD1 4.27Å; L10-F58 HydrophobicContact CD2-CE1 3.73Å; L13-F58 HydrophobicContact CB-CE1 4.49Å; L13-F58 HydrophobicContact CB-CZ 4.06Å; R14-F58 HydrophobicContact CB-CE2 3.9Å; R14-F58 HydrophobicContact CB-CZ 4.02Å; R14-F58 HydrophobicContact CG-CE2 4.41Å; L48-F58 WeakPolarHBondContact O-CA 3.44Å; L56-F58 HydrophobicContact CD2-CD2 4.21Å; L56-F58 HydrophobicContact CD2-CE1 4.3Å; L56-F58 HydrophobicContact CD2-CE2 3.79Å; L56-F58 HydrophobicContact CD2-CZ 3.84Å; F58-E63 HydrophobicContact CB-CG 3.95Å; F58-E63 WeakPolarHBondContact CB-OE1 3.23Å; F58-L66 HydrophobicContact CD2-CD2 3.91Å; F58-L66 HydrophobicContact CE1-CD2 4.47Å; F58-L66 HydrophobicContact CE2-CD2 3.73Å; F58-L66 HydrophobicContact CG-CD2 4.38Å; F58-L66 HydrophobicContact CZ-CD2 4.03Å
59	T	96.8	Very high	91.9	Very high	19 Å²	19	70 Å²	70	12%	0.117	34%	0.343	C	S	.	.			trans	-81.4	167.3	164.7	61.7	0	0	0	0	109.5	R47 L48 Q61 G62 E63	R47-T59 HydrophobicContact CB-CG2 4.08Å; R47-T59 WeakPolarHBondContact O-CB 3.34Å; R47-T59 WeakPolarHBondContact O-CG2 3.38Å; R47-T59 PolarHBondContact O-OG1 3.05Å; L48-T59 WeakPolarHBondContact CA-OG1 3.49Å; L48-T59 PolarHBondContact O-N 3.4Å; L48-T59 PolarHBondContact O-OG1 3.17Å; T59-Q61 PolarHBondContact O-N 2.91Å; T59-G62 CarbonylContact O-C 3.51Å; T59-G62 WeakPolarHBondContact O-CA 3.22Å; T59-G62 PolarHBondContact O-N 3.21Å; T59-G62 PolarHBondContact OG1-N 3.3Å; T59-E63 PolarHBondContact O-N 2.81Å
60	P	96.9	Very high	91.6	Very high	99 Å²	99	71.5 Å²	71.5	64%	0.643	35%	0.351	S	S	*	.	H	α-helix	trans	-53.2	-38.1	172.1	-27.8	36.2	0	0	0	113.2	E63 I64	P60-E63 PolarHBondContact O-N 2.94Å; P60-I64 WeakPolarHBondContact O-CG1 3.36Å; P60-I64 PolarHBondContact O-N 3.29Å; P60-I64 VanDerWaalsContact O-N 3.16Å
61	Q	96.2	Very high	91.3	Very high	80 Å²	80	73.8 Å²	73.8	37%	0.374	36%	0.357	S	S	.	.	H	α-helix	trans	-70	-36.2	175.8	-61.1	81.1	-1.5	0	0	112.2	F46 T59 I64 L65	F46-Q61 HydrophobicContact CB-CG 4.26Å; F46-Q61 HydrophobicContact CD1-CG 4.48Å; F46-Q61 HydrophobicContact CD2-CB 3.4Å; F46-Q61 VanDerWaalsContact CD2-CB 3.4Å; F46-Q61 HydrophobicContact CD2-CG 3.75Å; F46-Q61 HydrophobicContact CE2-CB 3.6Å; F46-Q61 HydrophobicContact CE2-CG 4.15Å; F46-Q61 HydrophobicContact CG-CB 4.11Å; F46-Q61 HydrophobicContact CG-CG 3.92Å; F46-Q61 HydrophobicContact CZ-CB 4.45Å; T59-Q61 PolarHBondContact O-N 2.91Å; Q61-I64 PolarHBondContact O-N 3.02Å; Q61-L65 PolarHBondContact O-N 2.82Å
62	G	96	Very high	91.6	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62	-42.7	171.7	0	0	0	0	0	112.9	L48 T59 L65 L66	L48-G62 VanDerWaalsContact O-CA 3.29Å; L48-G62 WeakPolarHBondContact O-CA 3.22Å; T59-G62 CarbonylContact O-C 3.51Å; T59-G62 WeakPolarHBondContact O-CA 3.22Å; T59-G62 PolarHBondContact O-N 3.21Å; T59-G62 PolarHBondContact OG1-N 3.3Å; G62-L65 PolarHBondContact O-N 2.86Å; G62-L66 VanDerWaalsContact O-CB 3.29Å; G62-L66 WeakPolarHBondContact O-CB 3.34Å; G62-L66 PolarHBondContact O-N 2.82Å
63	E	96.4	Very high	92	Very high	84 Å²	84	62.1 Å²	62.1	39%	0.393	31%	0.312	S	S	.	.	H	α-helix	trans	-61.9	-41.9	175.9	-71.1	-65.2	168.8	0	0	111.6	F58 T59 P60 L65 L66 Q67	F58-E63 HydrophobicContact CB-CG 3.95Å; F58-E63 WeakPolarHBondContact CB-OE1 3.23Å; T59-E63 PolarHBondContact O-N 2.81Å; P60-E63 PolarHBondContact O-N 2.94Å; E63-L65 PolarHBondContact O-N 3Å; E63-L66 PolarHBondContact O-N 2.94Å; E63-Q67 WeakPolarHBondContact O-CG 3.48Å; E63-Q67 PolarHBondContact O-N 3.36Å
64	I	96.4	Very high	91.8	Very high	119 Å²	119	64.1 Å²	64.1	61%	0.61	33%	0.325	S	S	*	.	H	α-helix	trans	-58.9	-46.7	175.2	-67.3	166	0	0	0	111.1	P60 Q61 L66 Q67 L68	P60-I64 WeakPolarHBondContact O-CG1 3.36Å; P60-I64 PolarHBondContact O-N 3.29Å; P60-I64 VanDerWaalsContact O-N 3.16Å; Q61-I64 PolarHBondContact O-N 3.02Å; I64-L66 VanDerWaalsContact C-N 3.35Å; I64-Q67 PolarHBondContact O-N 2.84Å; I64-L68 PolarHBondContact O-N 3.05Å; I64-L68 VanDerWaalsContact O-N 3.08Å
65	L	95.7	Very high	91.8	Very high	18 Å²	18	61 Å²	61	9%	0.094	31%	0.311	C	S	.	.	H	α-helix	trans	-72.2	-28.7	178.5	-69.6	-172.6	0	0	0	113.3	I2 L10 L44 L48 Q61 G62 E63 L68 A69	I2-L65 HydrophobicContact CD1-CD1 3.88Å; I2-L65 HydrophobicContact CD1-CD2 3.52Å; I2-L65 HydrophobicContact CD1-CG 4.39Å; L10-L65 HydrophobicContact CD1-CB 3.51Å; L10-L65 HydrophobicContact CD1-CD1 4.46Å; L44-L65 HydrophobicContact CD1-CD1 4Å; L48-L65 HydrophobicContact CD1-CD1 3.97Å; L48-L65 HydrophobicContact CD2-CD1 3.6Å; L48-L65 HydrophobicContact CD2-CG 4.42Å; L48-L65 HydrophobicContact CG-CD1 4.46Å; Q61-L65 PolarHBondContact O-N 2.82Å; G62-L65 PolarHBondContact O-N 2.86Å; E63-L65 PolarHBondContact O-N 3Å; L65-L68 HydrophobicContact CD2-CD2 4.14Å; L65-L68 WeakPolarHBondContact O-CB 3.43Å; L65-L68 PolarHBondContact O-N 2.64Å; L65-A69 PolarHBondContact O-N 3.49Å
66	L	94.8	Very high	92	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-67.7	-39.3	173.2	179.9	61.2	0	0	0	111	L10 R14 F58 G62 E63 I64 L68 A69 N70	L10-L66 HydrophobicContact CB-CD1 4.24Å; R14-L66 HydrophobicContact CB-CD1 4.13Å; R14-L66 HydrophobicContact CB-CD2 4.29Å; R14-L66 HydrophobicContact CG-CD2 4.28Å; F58-L66 HydrophobicContact CD2-CD2 3.91Å; F58-L66 HydrophobicContact CE1-CD2 4.47Å; F58-L66 HydrophobicContact CE2-CD2 3.73Å; F58-L66 HydrophobicContact CG-CD2 4.38Å; F58-L66 HydrophobicContact CZ-CD2 4.03Å; G62-L66 VanDerWaalsContact O-CB 3.29Å; G62-L66 WeakPolarHBondContact O-CB 3.34Å; G62-L66 PolarHBondContact O-N 2.82Å; E63-L66 PolarHBondContact O-N 2.94Å; I64-L66 VanDerWaalsContact C-N 3.35Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-A69 WeakPolarHBondContact O-CB 3.47Å; L66-A69 PolarHBondContact O-N 2.83Å; L66-N70 VanDerWaalsContact O-CG 3.28Å; L66-N70 PolarHBondContact O-N 3.03Å; L66-N70 PolarHBondContact O-ND2 2.92Å; L66-N70 VanDerWaalsContact O-ND2 3.16Å
67	Q	92.8	Very high	91.4	Very high	104 Å²	104	61.2 Å²	61.2	49%	0.486	31%	0.312	S	S	.	.	H	α-helix	trans	-61.6	-43.1	170.8	-69.9	-59.9	-22.3	0	0	111.5	E63 I64 A69 N70 Q71	E63-Q67 WeakPolarHBondContact O-CG 3.48Å; E63-Q67 PolarHBondContact O-N 3.36Å; I64-Q67 PolarHBondContact O-N 2.84Å; Q67-A69 VanDerWaalsContact C-N 3.31Å; Q67-A69 PolarHBondContact O-N 3.42Å; Q67-N70 PolarHBondContact O-N 3.48Å; Q67-Q71 WeakPolarHBondContact O-CG 3.43Å; Q67-Q71 PolarHBondContact O-N 3.34Å
68	L	94.6	Very high	90.3	Very high	66 Å²	66	55.5 Å²	55.5	35%	0.346	29%	0.292	S	S	.	.	H	α-helix	trans	-59.6	-41.7	173	-177.9	66.4	0	0	0	112	L7 I64 L65 L66 N70 Q71 V72	L7-L68 HydrophobicContact CD2-CD2 4.26Å; L7-L68 HydrophobicContact CD2-CG 4.41Å; I64-L68 PolarHBondContact O-N 3.05Å; I64-L68 VanDerWaalsContact O-N 3.08Å; L65-L68 HydrophobicContact CD2-CD2 4.14Å; L65-L68 WeakPolarHBondContact O-CB 3.43Å; L65-L68 PolarHBondContact O-N 2.64Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L68-N70 VanDerWaalsContact C-N 3.33Å; L68-N70 PolarHBondContact O-N 3.27Å; L68-Q71 PolarHBondContact O-N 3.1Å; L68-Q71 VanDerWaalsContact O-N 3.17Å; L68-V72 HydrophobicContact CD1-CG2 3.65Å; L68-V72 HydrophobicContact CG-CG2 4.1Å; L68-V72 WeakPolarHBondContact O-CB 3.3Å; L68-V72 WeakPolarHBondContact O-CG2 3.09Å; L68-V72 PolarHBondContact O-N 3.34Å
69	A	93.6	Very high	89.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.9	-41.3	176.8	0	0	0	0	0	112.1	L7 L65 L66 Q67 Q71 L73	L7-A69 HydrophobicContact CB-CB 3.78Å; L7-A69 HydrophobicContact CD2-CB 4.1Å; L7-A69 HydrophobicContact CG-CB 4.43Å; L65-A69 PolarHBondContact O-N 3.49Å; L66-A69 WeakPolarHBondContact O-CB 3.47Å; L66-A69 PolarHBondContact O-N 2.83Å; Q67-A69 VanDerWaalsContact C-N 3.31Å; Q67-A69 PolarHBondContact O-N 3.42Å; A69-Q71 PolarHBondContact O-N 3.33Å; A69-L73 HydrophobicContact CB-CD1 4.17Å; A69-L73 WeakPolarHBondContact O-CB 3.28Å; A69-L73 WeakPolarHBondContact O-CG 3.47Å; A69-L73 PolarHBondContact O-N 3.2Å; A69-L73 VanDerWaalsContact O-N 3.09Å
70	N	86.5	Confident	88.4	Confident	44 Å²	44	60.9 Å²	60.9	24%	0.235	33%	0.328	C	S	.	.	H	α-helix	trans	-65	-26.3	177.1	-64.2	-36.3	0	0	0	112.9	R14 L66 Q67 L68 P74	R14-N70 PolarHBondContact NH1-ND2 3.3Å; R14-N70 PolarHBondContact NH1-OD1 3.09Å; L66-N70 VanDerWaalsContact O-CG 3.28Å; L66-N70 PolarHBondContact O-N 3.03Å; L66-N70 PolarHBondContact O-ND2 2.92Å; L66-N70 VanDerWaalsContact O-ND2 3.16Å; Q67-N70 PolarHBondContact O-N 3.48Å; L68-N70 VanDerWaalsContact C-N 3.33Å; L68-N70 PolarHBondContact O-N 3.27Å; N70-P74 VanDerWaalsContact O-CD 3.22Å; N70-P74 WeakPolarHBondContact O-CD 3.47Å; N70-P74 WeakPolarHBondContact O-CG 3.38Å
71	Q	84.8	Confident	86.9	Confident	120 Å²	120	61.1 Å²	61.1	56%	0.561	32%	0.321	S	S	*	.	H	α-helix	trans	-86.6	-45.5	178.3	-67.3	171.3	1.7	0	0	111.8	Q67 L68 A69 Q75	Q67-Q71 WeakPolarHBondContact O-CG 3.43Å; Q67-Q71 PolarHBondContact O-N 3.34Å; L68-Q71 PolarHBondContact O-N 3.1Å; L68-Q71 VanDerWaalsContact O-N 3.17Å; A69-Q71 PolarHBondContact O-N 3.33Å; Q71-Q75 WeakPolarHBondContact O-CG 3.48Å
72	V	90.7	Very high	85.4	Confident	38 Å²	38	60.1 Å²	60.1	23%	0.23	33%	0.326	C	S	.	.	H	α-helix	trans	-82.9	-39	-169.6	174.1	0	0	0	0	112.9	L7 L68 Q75 I76	L7-V72 HydrophobicContact CD1-CB 4.04Å; L7-V72 HydrophobicContact CD1-CG1 4.02Å; L68-V72 HydrophobicContact CD1-CG2 3.65Å; L68-V72 HydrophobicContact CG-CG2 4.1Å; L68-V72 WeakPolarHBondContact O-CB 3.3Å; L68-V72 WeakPolarHBondContact O-CG2 3.09Å; L68-V72 PolarHBondContact O-N 3.34Å; V72-Q75 WeakPolarHBondContact O-CB 3.31Å; V72-Q75 PolarHBondContact O-N 3.06Å; V72-I76 HydrophobicContact CG1-CD1 3.78Å; V72-I76 HydrophobicContact CG1-CG1 4.27Å; V72-I76 WeakPolarHBondContact O-CG1 3.39Å; V72-I76 PolarHBondContact O-N 3.5Å
73	L	90.4	Very high	84.2	Confident	16 Å²	16	65.1 Å²	65.1	8%	0.084	36%	0.36	C	S	.	.	H	α-helix	trans	-65.4	-41.3	-175.9	-65.5	174.1	0	0	0	113.2	V4 L7 K8 Q11 A69 Q75 I76 S77	V4-L73 HydrophobicContact CG1-CD2 3.86Å; L7-L73 HydrophobicContact CB-CD1 4.13Å; L7-L73 HydrophobicContact CB-CD2 4.1Å; L7-L73 HydrophobicContact CB-CG 4.12Å; K8-L73 HydrophobicContact CG-CD1 4.16Å; K8-L73 HydrophobicContact CG-CD2 3.69Å; Q11-L73 HydrophobicContact CB-CD1 4.28Å; A69-L73 HydrophobicContact CB-CD1 4.17Å; A69-L73 WeakPolarHBondContact O-CB 3.28Å; A69-L73 WeakPolarHBondContact O-CG 3.47Å; A69-L73 PolarHBondContact O-N 3.2Å; A69-L73 VanDerWaalsContact O-N 3.09Å; L73-Q75 VanDerWaalsContact C-N 3.33Å; L73-Q75 PolarHBondContact O-N 3.35Å; L73-I76 PolarHBondContact O-N 3.17Å; L73-S77 PolarHBondContact O-N 2.86Å
74	P	80.6	Confident	82.7	Confident	66 Å²	66	67.8 Å²	67.8	43%	0.429	38%	0.377	S	S	.	.	H	α-helix	trans	-59.8	-41.8	172.2	-26.9	38	0	0	0	112.8	N70 I76 S77 Q78	N70-P74 VanDerWaalsContact O-CD 3.22Å; N70-P74 WeakPolarHBondContact O-CD 3.47Å; N70-P74 WeakPolarHBondContact O-CG 3.38Å; P74-I76 VanDerWaalsContact C-N 3.35Å; P74-I76 PolarHBondContact O-N 3.43Å; P74-S77 PolarHBondContact O-N 2.87Å; P74-Q78 WeakPolarHBondContact O-CB 3.31Å; P74-Q78 PolarHBondContact O-N 3.03Å
75	Q	80.8	Confident	80.9	Confident	103 Å²	103	65.6 Å²	65.6	48%	0.481	36%	0.364	S	S	.	.	H	α-helix	trans	-60.6	-42.3	177	-69	176.4	-19.4	0	0	112.1	Q71 V72 L73 Q78 A79	Q71-Q75 WeakPolarHBondContact O-CG 3.48Å; V72-Q75 WeakPolarHBondContact O-CB 3.31Å; V72-Q75 PolarHBondContact O-N 3.06Å; L73-Q75 VanDerWaalsContact C-N 3.33Å; L73-Q75 PolarHBondContact O-N 3.35Å; Q75-Q78 PolarHBondContact O-N 3.35Å; Q75-A79 WeakPolarHBondContact O-CB 3.26Å; Q75-A79 PolarHBondContact O-N 2.97Å
76	I	88.3	Confident	79.1	Confident	55 Å²	55	69 Å²	69	28%	0.282	39%	0.387	S	S	.	.	H	α-helix	trans	-64.4	-46.2	175	-65.9	169.3	0	0	0	110.7	V4 V72 L73 P74 Q78 A79 L80	V4-I76 HydrophobicContact CB-CD1 4.42Å; V4-I76 HydrophobicContact CG1-CD1 3.77Å; V4-I76 HydrophobicContact CG2-CD1 3.7Å; V72-I76 HydrophobicContact CG1-CD1 3.78Å; V72-I76 HydrophobicContact CG1-CG1 4.27Å; V72-I76 WeakPolarHBondContact O-CG1 3.39Å; V72-I76 PolarHBondContact O-N 3.5Å; L73-I76 PolarHBondContact O-N 3.17Å; P74-I76 VanDerWaalsContact C-N 3.35Å; P74-I76 PolarHBondContact O-N 3.43Å; I76-Q78 VanDerWaalsContact C-N 3.29Å; I76-Q78 PolarHBondContact O-N 3.41Å; I76-A79 PolarHBondContact O-N 3.35Å; I76-L80 HydrophobicContact CG2-CD1 4.05Å; I76-L80 HydrophobicContact CG2-CG 4.48Å; I76-L80 WeakPolarHBondContact O-CG 3.38Å; I76-L80 PolarHBondContact O-N 2.73Å
77	S	78.6	Confident	77.3	Confident	60 Å²	60	77.7 Å²	77.7	42%	0.42	43%	0.428	S	S	.	.	H	α-helix	trans	-59.9	-42.9	179.3	-171.9	0	0	0	0	111.3	L73 P74 L80 Q81	L73-S77 PolarHBondContact O-N 2.86Å; P74-S77 PolarHBondContact O-N 2.87Å; S77-L80 PolarHBondContact O-N 2.99Å; S77-Q81 WeakPolarHBondContact O-CG 3.41Å; S77-Q81 PolarHBondContact O-N 3.26Å
78	Q	69.3	Low	76	Confident	41 Å²	41	75 Å²	75	19%	0.192	42%	0.415	C	S	.	.	H	α-helix	trans	-65.7	-44.5	177.4	-177.3	-178.6	-11.6	0	0	111.8	P74 Q75 I76 L80 Q81 A82 Q136 G137	P74-Q78 WeakPolarHBondContact O-CB 3.31Å; P74-Q78 PolarHBondContact O-N 3.03Å; Q75-Q78 PolarHBondContact O-N 3.35Å; I76-Q78 VanDerWaalsContact C-N 3.29Å; I76-Q78 PolarHBondContact O-N 3.41Å; Q78-L80 VanDerWaalsContact C-N 3.27Å; Q78-L80 PolarHBondContact O-N 2.71Å; Q78-Q81 WeakPolarHBondContact O-CB 3.3Å; Q78-Q81 PolarHBondContact O-N 2.78Å; Q78-Q81 VanDerWaalsContact O-N 3.16Å; Q78-A82 WeakPolarHBondContact O-CB 3.3Å; Q78-A82 PolarHBondContact O-N 3.46Å; Q78-Q136 PolarHBondContact OE1-O 2.97Å; Q78-Q136 VanDerWaalsContact OE1-O 3.05Å; Q78-G137 VanDerWaalsContact CD-O 3.29Å; Q78-G137 PolarHBondContact NE2-O 3.27Å; Q78-G137 VanDerWaalsContact OE1-C 3.25Å; Q78-G137 VanDerWaalsContact OE1-CA 3.26Å; Q78-G137 PolarHBondContact OE1-O 3.35Å
79	A	74.7	Confident	75.1	Confident	56 Å²	56	74.1 Å²	74.1	46%	0.463	41%	0.413	S	S	.	.	H	α-helix	trans	-59.2	-41	176.7	0	0	0	0	0	111.4	Q75 I76 A82 C83	Q75-A79 WeakPolarHBondContact O-CB 3.26Å; Q75-A79 PolarHBondContact O-N 2.97Å; I76-A79 PolarHBondContact O-N 3.35Å; A79-A82 PolarHBondContact O-N 3.01Å; A79-C83 PolarHBondContact O-N 3.04Å; A79-C83 VanDerWaalsContact O-N 3.11Å; A79-C83 PolarHBondContact O-SG 3.48Å
80	L	78.8	Confident	74.8	Confident	105 Å²	105	78.7 Å²	78.7	55%	0.55	43%	0.43	S	S	.	.	H	α-helix	trans	-67.6	-37.3	175.3	-69	172.5	0	0	0	112.8	I76 S77 Q78 C83 N84	I76-L80 HydrophobicContact CG2-CD1 4.05Å; I76-L80 HydrophobicContact CG2-CG 4.48Å; I76-L80 WeakPolarHBondContact O-CG 3.38Å; I76-L80 PolarHBondContact O-N 2.73Å; S77-L80 PolarHBondContact O-N 2.99Å; Q78-L80 VanDerWaalsContact C-N 3.27Å; Q78-L80 PolarHBondContact O-N 2.71Å; L80-C83 PolarHBondContact O-N 3.32Å; L80-N84 PolarHBondContact O-N 3.33Å; L80-N84 PolarHBondContact O-ND2 3.48Å; L80-N84 VanDerWaalsContact O-ND2 3.09Å
81	Q	66.1	Low	75	Confident	104 Å²	104	76.8 Å²	76.8	49%	0.486	42%	0.42	S	S	.	.	H	α-helix	trans	-62.7	-46.4	172.7	-77.7	172.9	-19.6	0	0	111	S77 Q78 C83 N84 E85	S77-Q81 WeakPolarHBondContact O-CG 3.41Å; S77-Q81 PolarHBondContact O-N 3.26Å; Q78-Q81 WeakPolarHBondContact O-CB 3.3Å; Q78-Q81 PolarHBondContact O-N 2.78Å; Q78-Q81 VanDerWaalsContact O-N 3.16Å; Q81-C83 PolarHBondContact O-N 2.9Å; Q81-N84 PolarHBondContact O-N 2.86Å; Q81-E85 PolarHBondContact O-N 3.36Å
82	A	64	Low	75.4	Confident	59 Å²	59	73.1 Å²	73.1	49%	0.488	40%	0.401	S	S	.	.	H	α-helix	trans	-61.8	-28.1	177.8	0	0	0	0	0	113.3	Q78 A79 N84	Q78-A82 WeakPolarHBondContact O-CB 3.3Å; Q78-A82 PolarHBondContact O-N 3.46Å; A79-A82 PolarHBondContact O-N 3.01Å; A82-N84 VanDerWaalsContact C-N 3.31Å
83	C	69.8	Low	75.4	Confident	105 Å²	105	71.3 Å²	71.3	71%	0.709	39%	0.39	S	S	*	.	H	α-helix	trans	-70.5	-24.3	172.3	-69.8	0	0	0	0	113.6	A79 L80 Q81	A79-C83 PolarHBondContact O-N 3.04Å; A79-C83 VanDerWaalsContact O-N 3.11Å; A79-C83 PolarHBondContact O-SG 3.48Å; L80-C83 PolarHBondContact O-N 3.32Å; Q81-C83 PolarHBondContact O-N 2.9Å
84	N	65.3	Low	75.5	Confident	140 Å²	140	70.6 Å²	70.6	75%	0.749	39%	0.386	S	S	*	.	H	α-helix	trans	-101.8	-24.1	-175.7	-69.2	-42.4	0	0	0	113.2	L80 Q81 A82	L80-N84 PolarHBondContact O-N 3.33Å; L80-N84 PolarHBondContact O-ND2 3.48Å; L80-N84 VanDerWaalsContact O-ND2 3.09Å; Q81-N84 PolarHBondContact O-N 2.86Å; A82-N84 VanDerWaalsContact C-N 3.31Å
85	E	58.7	Low	75.8	Confident	74 Å²	74	69.2 Å²	69.2	35%	0.346	38%	0.375	S	S	.	.	S	Bend	trans	-72.8	129.7	172.5	-70.7	-177.6	174.2	0	0	108.9	Q81 Q87 R90	Q81-E85 PolarHBondContact O-N 3.36Å; E85-Q87 PolarHBondContact O-N 3.43Å; E85-R90 IonicContact OE1-NH1 2.8Å
86	P	58.3	Low	75.9	Confident	89 Å²	89	66.2 Å²	66.2	58%	0.578	36%	0.361	S	S	*	.			trans	-55.3	120.5	167	-12.2	24.3	0	0	0	106.4	Q88 T89	P86-Q88 PolarHBondContact O-N 2.95Å; P86-T89 HydrophobicContact CB-CG2 3.87Å; P86-T89 HydrophobicContact CG-CG2 3.91Å; P86-T89 PolarHBondContact O-N 2.88Å
87	Q	57.8	Low	75.2	Confident	187 Å²	187	64.7 Å²	64.7	87%	0.874	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.2	116.2	-176.5	-91.9	175.9	-11	0	0	108.8	E85	E85-Q87 PolarHBondContact O-N 3.43Å
88	Q	64.5	Low	74.8	Confident	48 Å²	48	66.7 Å²	66.7	22%	0.224	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	27.4	174.8	-43.7	-178.1	-21.1	0	0	119.1	P86 R90 V118 V277	P86-Q88 PolarHBondContact O-N 2.95Å; Q88-R90 VanDerWaalsContact C-N 3.34Å; Q88-V118 WeakPolarHBondContact O-CG2 3.49Å; Q88-V277 HydrophobicContact CB-CB 3.86Å; Q88-V277 HydrophobicContact CB-CG2 3.51Å; Q88-V277 HydrophobicContact CG-CB 4.21Å; Q88-V277 HydrophobicContact CG-CG2 4.24Å
89	T	76.5	Confident	74.9	Confident	47 Å²	47	65.1 Å²	65.1	29%	0.288	35%	0.351	S	S	.	.	S	Bend	trans	-83.2	-7	169.3	54.2	0	0	0	0	114.5	P86 V118 E119	P86-T89 HydrophobicContact CB-CG2 3.87Å; P86-T89 HydrophobicContact CG-CG2 3.91Å; P86-T89 PolarHBondContact O-N 2.88Å; T89-V118 CarbonylContact O-C 3.57Å; T89-V118 WeakPolarHBondContact O-CA 3.4Å; T89-E119 PolarHBondContact O-N 3.28Å
90	R	87.2	Confident	75.1	Confident	96 Å²	96	62.4 Å²	62.4	36%	0.362	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	143	-179.4	-173.5	177.4	-77	167	-14.2	111.2	E85 Q88 R92 E119	E85-R90 IonicContact OE1-NH1 2.8Å; Q88-R90 VanDerWaalsContact C-N 3.34Å; R90-R92 HydrophobicContact CG-CG 4.36Å; R90-E119 CarbonylContact C-O 3.57Å; R90-E119 VanDerWaalsContact CA-O 3.23Å; R90-E119 WeakPolarHBondContact CA-O 3.42Å; R90-E119 HydrophobicContact CB-CB 4.46Å; R90-E119 HydrophobicContact CG-CB 4.33Å; R90-E119 IonicContact CZ-OE2 3.19Å; R90-E119 IonicContact NE-OE1 3.31Å; R90-E119 IonicContact NE-OE2 3.83Å; R90-E119 PolarHBondContact NE-OE2 2.78Å; R90-E119 IonicContact NH2-OE1 3.02Å; R90-E119 PolarHBondContact NH2-OE1 3.43Å; R90-E119 IonicContact NH2-OE2 2.84Å; R90-E119 PolarHBondContact NH2-OE2 3.25Å
91	L	90.5	Very high	75.2	Confident	3 Å²	3	61.1 Å²	61.1	2%	0.016	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	111.1	174.9	-170.9	67.7	0	0	0	109.7	I93 V118 E119 D121 D140 V277 F281	L91-I93 HydrophobicContact CD2-CD1 3.79Å; L91-I93 HydrophobicContact CD2-CG1 4.14Å; L91-I93 HydrophobicContact CG-CD1 4.03Å; L91-I93 HydrophobicContact CG-CG1 3.91Å; L91-V118 HydrophobicContact CB-CG1 4.04Å; L91-E119 PolarHBondContact N-O 3.21Å; L91-D121 PolarHBondContact O-N 2.95Å; L91-D140 HydrophobicContact CD1-CB 3.72Å; L91-V277 HydrophobicContact CB-CG1 4.42Å; L91-V277 HydrophobicContact CD1-CG1 4.36Å; L91-V277 HydrophobicContact CD2-CG1 4.31Å; L91-F281 HydrophobicContact CD2-CB 3.75Å; L91-F281 HydrophobicContact CD2-CD1 4.08Å; L91-F281 HydrophobicContact CD2-CD2 4Å; L91-F281 HydrophobicContact CD2-CG 3.64Å
92	R	91.6	Very high	76	Confident	43 Å²	43	60.8 Å²	60.8	16%	0.162	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	112.6	179.7	-61.5	162.9	-66.3	162.9	8.9	109.7	R90 D121 G137 L139 D140 L141	R90-R92 HydrophobicContact CG-CG 4.36Å; R92-D121 CarbonylContact C-O 3.59Å; R92-D121 WeakPolarHBondContact CA-O 3.27Å; R92-D121 HydrophobicContact CG-CB 4.29Å; R92-G137 PolarHBondContact NH1-O 2.84Å; R92-G137 PolarHBondContact NH2-O 2.8Å; R92-L139 HydrophobicContact CB-CD2 4.38Å; R92-D140 WeakPolarHBondContact CB-OD2 3.44Å; R92-D140 IonicContact CZ-OD1 3.79Å; R92-D140 IonicContact CZ-OD2 2.78Å; R92-D140 PolarHBondContact N-OD2 2.8Å; R92-D140 IonicContact NE-OD1 3.69Å; R92-D140 IonicContact NE-OD2 3.12Å; R92-D140 PolarHBondContact NE-OD2 3Å; R92-D140 IonicContact NH2-OD1 3.48Å; R92-D140 PolarHBondContact NH2-OD1 2.88Å; R92-D140 IonicContact NH2-OD2 3.88Å; R92-D140 PolarHBondContact O-N 3.02Å; R92-L141 PolarHBondContact O-N 3.47Å; R92-L141 VanDerWaalsContact O-N 3.16Å
93	I	92.4	Very high	77.2	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141.4	-171.9	-60.3	161.1	0	0	0	109.9	L91 I95 M120 D121 F122 K123 L141 F281	L91-I93 HydrophobicContact CD2-CD1 3.79Å; L91-I93 HydrophobicContact CD2-CG1 4.14Å; L91-I93 HydrophobicContact CG-CD1 4.03Å; L91-I93 HydrophobicContact CG-CG1 3.91Å; I93-I95 HydrophobicContact CG2-CG1 4.3Å; I93-M120 HydrophobicContact CD1-CE 3.24Å; I93-D121 PolarHBondContact N-O 3Å; I93-F122 HydrophobicContact CB-CD1 4.02Å; I93-F122 HydrophobicContact CB-CE1 3.9Å; I93-F122 HydrophobicContact CD1-CE1 4.07Å; I93-F122 HydrophobicContact CD1-CZ 3.95Å; I93-F122 HydrophobicContact CG2-CD1 4.09Å; I93-F122 HydrophobicContact CG2-CE1 3.79Å; I93-F122 CarbonylContact O-C 3.57Å; I93-F122 WeakPolarHBondContact O-CA 3.5Å; I93-K123 PolarHBondContact O-N 3.16Å; I93-L141 VanDerWaalsContact CA-O 3.32Å; I93-L141 WeakPolarHBondContact CA-O 3.33Å; I93-L141 HydrophobicContact CG1-CB 4.38Å; I93-L141 HydrophobicContact CG1-CD2 4.47Å; I93-L141 HydrophobicContact CG2-CD2 3.95Å; I93-F281 HydrophobicContact CD1-CD2 4.28Å; I93-F281 HydrophobicContact CD1-CE1 4.05Å; I93-F281 HydrophobicContact CD1-CE2 3.72Å; I93-F281 HydrophobicContact CD1-CZ 3.57Å
94	A	92	Very high	78.1	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	153.2	161.6	0	0	0	0	0	111.1	F128 P130 L139 L141 V142 M143	A94-F128 HydrophobicContact CB-CE1 3.73Å; A94-P130 HydrophobicContact CB-CB 3.85Å; A94-P130 HydrophobicContact CB-CG 4.16Å; A94-L139 HydrophobicContact CB-CD1 3.45Å; A94-L139 VanDerWaalsContact CB-CD1 3.45Å; A94-L139 HydrophobicContact CB-CD2 4Å; A94-L139 HydrophobicContact CB-CG 4.38Å; A94-L141 PolarHBondContact N-O 2.88Å; A94-V142 HydrophobicContact CB-CG2 4.36Å; A94-V142 CarbonylContact O-C 3.58Å; A94-V142 WeakPolarHBondContact O-CA 3.43Å; A94-M143 PolarHBondContact O-N 3.44Å
95	I	87.7	Confident	79.2	Confident	38 Å²	38	49.8 Å²	49.8	20%	0.195	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	108.2	-177.4	-51.4	176.1	0	0	0	107.4	I93 C97 C100 I101 L104 F122 M143	I93-I95 HydrophobicContact CG2-CG1 4.3Å; I95-C97 VanDerWaalsContact C-N 3.28Å; I95-C97 HydrophobicContact CG2-CB 4.07Å; I95-C97 WeakPolarHBondContact CG2-O 3.32Å; I95-C100 HydrophobicContact CG2-CB 3.59Å; I95-I101 HydrophobicContact CD1-CB 4.49Å; I95-I101 HydrophobicContact CD1-CD1 3.92Å; I95-L104 HydrophobicContact CD1-CD2 3.5Å; I95-L104 VanDerWaalsContact CD1-CD2 3.5Å; I95-L104 HydrophobicContact CG1-CD2 4.36Å; I95-F122 HydrophobicContact CD1-CD1 4.1Å; I95-F122 HydrophobicContact CD1-CE1 4.01Å; I95-F122 HydrophobicContact CG1-CD1 4.42Å; I95-F122 HydrophobicContact CG1-CE1 4.49Å; I95-M143 HydrophobicContact CG1-SD 4.46Å; I95-M143 HydrophobicContact CG2-CB 4.34Å
96	E	81.1	Confident	80.6	Confident	40 Å²	40	48.5 Å²	48.5	19%	0.187	25%	0.246	C	C	.	.	S	Bend	trans	-75.2	-23.5	175.5	-74.9	-171.9	135.5	0	0	111.8	H98 P130 Q131 V142 M143 T144	E96-H98 PolarHBondContact O-N 3.41Å; E96-P130 HydrophobicContact CG-CB 3.94Å; E96-P130 HydrophobicContact CG-CG 3.57Å; E96-P130 WeakPolarHBondContact OE1-CD 3.45Å; E96-Q131 PolarHBondContact OE2-NE2 3.01Å; E96-V142 HydrophobicContact CG-CG1 4.05Å; E96-M143 PolarHBondContact N-O 3.32Å; E96-T144 WeakPolarHBondContact OE2-CB 3.36Å; E96-T144 PolarHBondContact OE2-OG1 3.21Å
97	C	73.8	Confident	82.1	Confident	22 Å²	22	44.3 Å²	44.3	15%	0.149	22%	0.218	C	C	.	.	S	Bend	trans	-75.1	102.7	172.2	166.5	0	0	0	0	110.6	I95 S99 C100 L264	I95-C97 VanDerWaalsContact C-N 3.28Å; I95-C97 HydrophobicContact CG2-CB 4.07Å; I95-C97 WeakPolarHBondContact CG2-O 3.32Å; C97-S99 PolarHBondContact O-N 3.37Å; C97-C100 HydrophobicContact CB-CB 3.73Å; C97-C100 WeakPolarHBondContact CB-SG 3.45Å; C97-C100 PolarHBondContact O-N 3.41Å; C97-C100 VanDerWaalsContact O-N 3.09Å; C97-C100 WeakPolarHBondContact SG-CB 3.41Å; C97-C100 PolarHBondContact SG-N 3.16Å; C97-C100 CovalentContact SG-SG 2.05Å; C97-C100 PolarHBondContact SG-SG 2.78Å; C97-L264 HydrophobicContact CB-CD1 4.39Å
98	H	70	Confident	83.7	Confident	102 Å²	102	36.7 Å²	36.7	47%	0.472	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-19.6	-179.2	-70.3	-68.5	0	0	0	115.5	E96 Y192	E96-H98 PolarHBondContact O-N 3.41Å; H98-Y192 HydrophobicContact CB-CD1 4.44Å; H98-Y192 HydrophobicContact CB-CE1 3.93Å; H98-Y192 HydrophobicContact CB-CE2 4.12Å; H98-Y192 AromaticContact CD2-CD1 3.67Å; H98-Y192 AromaticContact CD2-CD2 3.66Å; H98-Y192 AromaticContact CD2-CG 3.46Å; H98-Y192 VanDerWaalsContact CD2-CG 3.46Å; H98-Y192 AromaticContact NE2-CG 3.98Å
99	S	71.9	Confident	84.9	Confident	8 Å²	8	40 Å²	40	6%	0.056	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	0.6	-172.8	62	0	0	0	0	115	C97 I101 W240 V241	C97-S99 PolarHBondContact O-N 3.37Å; S99-I101 VanDerWaalsContact C-N 3.28Å; S99-I101 PolarHBondContact O-N 3.12Å; S99-W240 PolarHBondContact OG-NE1 3.04Å; S99-V241 WeakPolarHBondContact OG-CG2 3.4Å
100	C	79.9	Confident	85.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-15.2	-173.6	-74.8	0	0	0	0	113.3	I95 C97 Q102 W103 L104	I95-C100 HydrophobicContact CG2-CB 3.59Å; C97-C100 HydrophobicContact CB-CB 3.73Å; C97-C100 WeakPolarHBondContact CB-SG 3.45Å; C97-C100 PolarHBondContact O-N 3.41Å; C97-C100 VanDerWaalsContact O-N 3.09Å; C97-C100 WeakPolarHBondContact SG-CB 3.41Å; C97-C100 PolarHBondContact SG-N 3.16Å; C97-C100 CovalentContact SG-SG 2.05Å; C97-C100 PolarHBondContact SG-SG 2.78Å; C100-Q102 VanDerWaalsContact C-N 3.28Å; C100-Q102 PolarHBondContact O-N 3.48Å; C100-W103 HydrophobicContact CB-CZ2 4.37Å; C100-W103 PolarHBondContact O-NE1 2.65Å; C100-L104 WeakPolarHBondContact O-CB 3.35Å; C100-L104 PolarHBondContact O-N 2.91Å; C100-L104 VanDerWaalsContact O-N 3.07Å
101	I	80.6	Confident	85.6	Confident	77 Å²	77	36.4 Å²	36.4	40%	0.395	19%	0.185	S	C	.	.	H	α-helix	trans	-63.3	-31.6	-177.8	-165.5	60	0	0	0	113.4	I95 S99 L104 T105	I95-I101 HydrophobicContact CD1-CB 4.49Å; I95-I101 HydrophobicContact CD1-CD1 3.92Å; S99-I101 VanDerWaalsContact C-N 3.28Å; S99-I101 PolarHBondContact O-N 3.12Å; I101-L104 PolarHBondContact O-N 2.7Å; I101-T105 PolarHBondContact O-N 3.37Å; I101-T105 PolarHBondContact O-OG1 3.5Å
102	Q	81.9	Confident	85.7	Confident	98 Å²	98	41 Å²	41	46%	0.458	21%	0.206	S	C	.	.	H	α-helix	trans	-64.1	-49	-175.4	-74	180	-29.3	0	0	112.2	C100 P106	C100-Q102 VanDerWaalsContact C-N 3.28Å; C100-Q102 PolarHBondContact O-N 3.48Å; Q102-P106 VanDerWaalsContact O-CD 3.28Å; Q102-P106 WeakPolarHBondContact O-CD 3.42Å
103	W	89	Confident	85.6	Confident	9 Å²	9	46 Å²	46	3%	0.034	23%	0.229	C	C	.	.	H	α-helix	trans	-81	-27.1	177.5	72.4	-104.7	0	0	0	112.2	C100 T105 P106 M143 M158 F159 W240 L264 A285 H288 A289 L293	C100-W103 HydrophobicContact CB-CZ2 4.37Å; C100-W103 PolarHBondContact O-NE1 2.65Å; W103-T105 VanDerWaalsContact C-N 3.31Å; W103-T105 PolarHBondContact O-N 3.25Å; W103-P106 WeakPolarHBondContact O-CD 3.34Å; W103-M143 HydrophobicContact CH2-CE 3.43Å; W103-M143 VanDerWaalsContact CH2-CE 3.43Å; W103-M143 HydrophobicContact CZ2-CE 3.34Å; W103-M158 HydrophobicContact CH2-CE 4.04Å; W103-F159 AromaticContact CH2-CE1 3.73Å; W103-F159 HydrophobicContact CH2-CE1 3.73Å; W103-F159 HydrophobicContact CH2-CZ 4.01Å; W103-F159 AromaticContact CZ2-CE1 3.78Å; W103-F159 HydrophobicContact CZ2-CE1 3.78Å; W103-F159 AromaticContact CZ2-CZ 3.56Å; W103-F159 HydrophobicContact CZ2-CZ 3.56Å; W103-F159 HydrophobicContact CZ3-CE1 4.47Å; W103-W240 AromaticContact CD1-CD1 3.75Å; W103-W240 AromaticContact CD1-CG 3.97Å; W103-W240 AromaticContact CD1-NE1 3.85Å; W103-L264 HydrophobicContact CZ2-CD2 3.82Å; W103-A285 HydrophobicContact CH2-CB 4.26Å; W103-A285 HydrophobicContact CZ3-CB 4.18Å; W103-A285 WeakPolarHBondContact CZ3-O 3.35Å; W103-H288 PolarHBondContact O-CD2 3.26Å; W103-H288 PolarHBondContact O-NE2 3.17Å; W103-A289 HydrophobicContact CD2-CB 4.5Å; W103-A289 HydrophobicContact CE3-CB 3.95Å; W103-A289 HydrophobicContact CH2-CB 4.14Å; W103-A289 HydrophobicContact CZ3-CB 3.79Å; W103-L293 HydrophobicContact CB-CD1 3.84Å; W103-L293 HydrophobicContact CB-CD2 3.7Å; W103-L293 HydrophobicContact CB-CG 4.19Å; W103-L293 HydrophobicContact CD2-CD1 3.95Å; W103-L293 HydrophobicContact CG-CD1 3.63Å; W103-L293 HydrophobicContact CG-CD2 4.4Å; W103-L293 HydrophobicContact CG-CG 4.49Å
104	L	90.1	Very high	85.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-66.9	-37.5	179.3	-175.1	65.6	0	0	0	110.6	I95 C100 I101 A107 L108 F122 M143 F281 A285	I95-L104 HydrophobicContact CD1-CD2 3.5Å; I95-L104 VanDerWaalsContact CD1-CD2 3.5Å; I95-L104 HydrophobicContact CG1-CD2 4.36Å; C100-L104 WeakPolarHBondContact O-CB 3.35Å; C100-L104 PolarHBondContact O-N 2.91Å; C100-L104 VanDerWaalsContact O-N 3.07Å; I101-L104 PolarHBondContact O-N 2.7Å; L104-A107 HydrophobicContact CD1-CB 4.35Å; L104-A107 CarbonylContact O-C 3.58Å; L104-A107 VanDerWaalsContact O-CA 3.3Å; L104-A107 WeakPolarHBondContact O-CA 3.45Å; L104-A107 WeakPolarHBondContact O-CB 3.45Å; L104-A107 PolarHBondContact O-N 3.05Å; L104-L108 HydrophobicContact CD1-CD2 4.12Å; L104-L108 HydrophobicContact CD2-CD2 4.35Å; L104-L108 HydrophobicContact CG-CD2 3.87Å; L104-L108 HydrophobicContact CG-CG 4.14Å; L104-L108 WeakPolarHBondContact O-CG 3.16Å; L104-L108 PolarHBondContact O-N 3.33Å; L104-F122 HydrophobicContact CD2-CE1 3.79Å; L104-F122 HydrophobicContact CD2-CZ 4.19Å; L104-M143 HydrophobicContact CD1-CE 4.23Å; L104-M143 HydrophobicContact CD1-SD 4.03Å; L104-M143 HydrophobicContact CD2-SD 3.74Å; L104-F281 HydrophobicContact CD1-CE2 4.33Å; L104-F281 HydrophobicContact CD1-CZ 4.03Å; L104-A285 HydrophobicContact CD1-CB 3.91Å
105	T	88.3	Confident	85.3	Confident	63 Å²	63	54.7 Å²	54.7	39%	0.387	27%	0.271	S	S	.	.	H	α-helix	trans	-53.7	-51.3	-175.3	-58.5	0	0	0	0	113	I101 W103 A107 L108 E109	I101-T105 PolarHBondContact O-N 3.37Å; I101-T105 PolarHBondContact O-OG1 3.5Å; W103-T105 VanDerWaalsContact C-N 3.31Å; W103-T105 PolarHBondContact O-N 3.25Å; T105-A107 VanDerWaalsContact C-N 3.28Å; T105-A107 PolarHBondContact O-N 2.89Å; T105-L108 VanDerWaalsContact O-CB 3.27Å; T105-L108 WeakPolarHBondContact O-CB 3.48Å; T105-L108 PolarHBondContact O-N 2.88Å; T105-E109 PolarHBondContact O-N 2.76Å
106	P	87.7	Confident	85.4	Confident	48 Å²	48	56.8 Å²	56.8	31%	0.312	29%	0.287	S	S	.	.	H	α-helix	trans	-63.8	-29	173.2	-21.3	31.6	0	0	0	114.2	Q102 W103 L108 E109 N110	Q102-P106 VanDerWaalsContact O-CD 3.28Å; Q102-P106 WeakPolarHBondContact O-CD 3.42Å; W103-P106 WeakPolarHBondContact O-CD 3.34Å; P106-L108 VanDerWaalsContact C-N 3.3Å; P106-L108 PolarHBondContact O-N 2.77Å; P106-E109 PolarHBondContact O-N 3.26Å; P106-N110 PolarHBondContact O-N 2.87Å
107	A	89.7	Confident	85.7	Confident	1 Å²	1	60 Å²	60	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-66.5	-32.7	172.1	0	0	0	0	0	112.3	L104 T105 N110 F111 S284 H288	L104-A107 HydrophobicContact CD1-CB 4.35Å; L104-A107 CarbonylContact O-C 3.58Å; L104-A107 VanDerWaalsContact O-CA 3.3Å; L104-A107 WeakPolarHBondContact O-CA 3.45Å; L104-A107 WeakPolarHBondContact O-CB 3.45Å; L104-A107 PolarHBondContact O-N 3.05Å; T105-A107 VanDerWaalsContact C-N 3.28Å; T105-A107 PolarHBondContact O-N 2.89Å; A107-N110 PolarHBondContact O-N 2.85Å; A107-F111 PolarHBondContact O-N 2.92Å; A107-S284 PolarHBondContact O-OG 2.93Å; A107-H288 HydrophobicContact CB-CB 3.49Å; A107-H288 VanDerWaalsContact CB-CB 3.49Å
108	L	91.3	Very high	86.5	Confident	26 Å²	26	59.1 Å²	59.1	14%	0.136	30%	0.296	C	S	.	.	H	α-helix	trans	-65.9	-39.4	174.4	-55.1	-175.6	0	0	0	111.4	L104 T105 P106 N110 F111 H112 M120 F122 F281	L104-L108 HydrophobicContact CD1-CD2 4.12Å; L104-L108 HydrophobicContact CD2-CD2 4.35Å; L104-L108 HydrophobicContact CG-CD2 3.87Å; L104-L108 HydrophobicContact CG-CG 4.14Å; L104-L108 WeakPolarHBondContact O-CG 3.16Å; L104-L108 PolarHBondContact O-N 3.33Å; T105-L108 VanDerWaalsContact O-CB 3.27Å; T105-L108 WeakPolarHBondContact O-CB 3.48Å; T105-L108 PolarHBondContact O-N 2.88Å; P106-L108 VanDerWaalsContact C-N 3.3Å; P106-L108 PolarHBondContact O-N 2.77Å; L108-N110 VanDerWaalsContact C-N 3.3Å; L108-N110 PolarHBondContact O-N 3.15Å; L108-F111 PolarHBondContact O-N 2.88Å; L108-H112 VanDerWaalsContact O-CB 3.32Å; L108-H112 WeakPolarHBondContact O-CB 3.25Å; L108-H112 PolarHBondContact O-N 3.17Å; L108-M120 HydrophobicContact CB-SD 4.47Å; L108-M120 HydrophobicContact CD2-CE 3.46Å; L108-M120 VanDerWaalsContact CD2-CE 3.46Å; L108-M120 HydrophobicContact CD2-SD 3.92Å; L108-F122 HydrophobicContact CD1-CE2 3.57Å; L108-F122 HydrophobicContact CD1-CZ 3.41Å; L108-F122 VanDerWaalsContact CD1-CZ 3.41Å; L108-F122 HydrophobicContact CD2-CZ 3.92Å; L108-F122 HydrophobicContact CG-CZ 4.29Å; L108-F281 HydrophobicContact CD2-CE2 3.63Å; L108-F281 HydrophobicContact CD2-CZ 4.46Å
109	E	89.8	Confident	87.5	Confident	119 Å²	119	59.2 Å²	59.2	56%	0.556	30%	0.296	S	S	*	.	H	α-helix	trans	-59.3	-43.2	176	-64	-178.6	176.7	0	0	111.4	T105 P106 K113	T105-E109 PolarHBondContact O-N 2.76Å; P106-E109 PolarHBondContact O-N 3.26Å; E109-K113 WeakPolarHBondContact O-CG 3.29Å; E109-K113 PolarHBondContact O-N 3.44Å
110	N	87	Confident	88.3	Confident	63 Å²	63	61 Å²	61	34%	0.337	30%	0.304	S	S	.	.	H	α-helix	trans	-68.5	-36.7	176.9	-72.6	-24.7	0	0	0	112.7	P106 A107 L108 N114	P106-N110 PolarHBondContact O-N 2.87Å; A107-N110 PolarHBondContact O-N 2.85Å; L108-N110 VanDerWaalsContact C-N 3.3Å; L108-N110 PolarHBondContact O-N 3.15Å; N110-N114 PolarHBondContact O-ND2 2.89Å
111	F	92.1	Very high	88.8	Confident	3 Å²	3	64 Å²	64	1%	0.013	32%	0.321	C	S	.	.	H	α-helix	trans	-64.9	-48.7	174.3	176.3	-98.8	0	0	0	111.3	A107 L108 K113 N114 W115 V118 M120 V277 A280 F281	A107-F111 PolarHBondContact O-N 2.92Å; L108-F111 PolarHBondContact O-N 2.88Å; F111-K113 VanDerWaalsContact C-N 3.3Å; F111-K113 PolarHBondContact O-N 3.22Å; F111-N114 PolarHBondContact O-N 3.41Å; F111-W115 AromaticContact CD2-CD1 3.94Å; F111-W115 HydrophobicContact CD2-CG 4.49Å; F111-W115 HydrophobicContact CE1-CB 3.99Å; F111-W115 HydrophobicContact CE2-CB 4.15Å; F111-W115 AromaticContact CE2-CD1 3.6Å; F111-W115 AromaticContact CE2-CG 3.86Å; F111-W115 HydrophobicContact CE2-CG 3.86Å; F111-W115 HydrophobicContact CZ-CB 3.76Å; F111-W115 AromaticContact CZ-CG 3.89Å; F111-W115 HydrophobicContact CZ-CG 3.89Å; F111-W115 PolarHBondContact O-N 3.22Å; F111-V118 HydrophobicContact CE1-CB 4.16Å; F111-V118 HydrophobicContact CE1-CG1 4.09Å; F111-V118 HydrophobicContact CZ-CB 4.42Å; F111-V118 HydrophobicContact CZ-CG1 4.29Å; F111-V118 HydrophobicContact CZ-CG2 4.46Å; F111-M120 HydrophobicContact CD1-CE 4.47Å; F111-M120 HydrophobicContact CD1-SD 3.63Å; F111-M120 HydrophobicContact CE1-CG 4.43Å; F111-M120 HydrophobicContact CE1-SD 3.95Å; F111-V277 HydrophobicContact CZ-CG1 4.14Å; F111-A280 HydrophobicContact CE2-CB 4.18Å; F111-F281 HydrophobicContact CD1-CD2 4.47Å; F111-F281 HydrophobicContact CD2-CB 4Å; F111-F281 HydrophobicContact CD2-CD2 4.34Å; F111-F281 HydrophobicContact CE2-CB 3.69Å; F111-F281 HydrophobicContact CG-CD2 4.28Å; F111-F281 HydrophobicContact CZ-CB 4.17Å
112	H	91.7	Very high	89.2	Confident	99 Å²	99	63.7 Å²	63.7	46%	0.458	32%	0.316	S	S	.	.	H	α-helix	trans	-61.6	-34.3	-177.3	-174.7	69.4	0	0	0	113	L108 N114 W115 P116	L108-H112 VanDerWaalsContact O-CB 3.32Å; L108-H112 WeakPolarHBondContact O-CB 3.25Å; L108-H112 PolarHBondContact O-N 3.17Å; H112-N114 PolarHBondContact O-N 3.2Å; H112-W115 CarbonylContact O-C 3.33Å; H112-W115 PolarHBondContact O-N 3.02Å; H112-P116 WeakPolarHBondContact O-CA 3.29Å; H112-P116 WeakPolarHBondContact O-CD 3.39Å; H112-P116 VanDerWaalsContact O-N 3.09Å
113	K	89.8	Confident	89.3	Confident	149 Å²	149	62.1 Å²	62.1	65%	0.648	31%	0.308	S	S	*	.	H	α-helix	trans	-58.4	-35.2	173.4	-74	170.4	-171	166.8	0	113.2	E109 F111	E109-K113 WeakPolarHBondContact O-CG 3.29Å; E109-K113 PolarHBondContact O-N 3.44Å; F111-K113 VanDerWaalsContact C-N 3.3Å; F111-K113 PolarHBondContact O-N 3.22Å
114	N	86.9	Confident	88.7	Confident	122 Å²	122	67.2 Å²	67.2	65%	0.652	35%	0.345	S	S	*	.	H	α-helix	trans	-93.5	-19.5	-178.1	-65.2	-56.1	0	0	0	112.9	N110 F111 H112	N110-N114 PolarHBondContact O-ND2 2.89Å; F111-N114 PolarHBondContact O-N 3.41Å; H112-N114 PolarHBondContact O-N 3.2Å
115	W	90.3	Very high	87.5	Confident	61 Å²	61	69.4 Å²	69.4	23%	0.231	37%	0.367	C	S	.	.			trans	-136.1	57.4	-175.2	-65	89.2	0	0	0	111.8	F111 H112 Q117 V118 P276 V277 A280	F111-W115 AromaticContact CD2-CD1 3.94Å; F111-W115 HydrophobicContact CD2-CG 4.49Å; F111-W115 HydrophobicContact CE1-CB 3.99Å; F111-W115 HydrophobicContact CE2-CB 4.15Å; F111-W115 AromaticContact CE2-CD1 3.6Å; F111-W115 AromaticContact CE2-CG 3.86Å; F111-W115 HydrophobicContact CE2-CG 3.86Å; F111-W115 HydrophobicContact CZ-CB 3.76Å; F111-W115 AromaticContact CZ-CG 3.89Å; F111-W115 HydrophobicContact CZ-CG 3.89Å; F111-W115 PolarHBondContact O-N 3.22Å; H112-W115 CarbonylContact O-C 3.33Å; H112-W115 PolarHBondContact O-N 3.02Å; W115-Q117 VanDerWaalsContact C-OE1 3.31Å; W115-Q117 VanDerWaalsContact CE3-NE2 3.3Å; W115-Q117 PolarHBondContact O-N 3.08Å; W115-V118 HydrophobicContact CB-CB 4.31Å; W115-V118 HydrophobicContact CB-CG2 3.78Å; W115-V118 HydrophobicContact CE3-CG2 4.02Å; W115-V118 HydrophobicContact CG-CG2 4.49Å; W115-V118 PolarHBondContact O-N 3.36Å; W115-V118 VanDerWaalsContact O-N 3.09Å; W115-P276 HydrophobicContact CH2-CB 3.89Å; W115-V277 HydrophobicContact CD2-CG2 4.08Å; W115-V277 HydrophobicContact CE3-CG2 3.31Å; W115-V277 HydrophobicContact CH2-CG2 4.06Å; W115-V277 HydrophobicContact CZ3-CG2 3.3Å; W115-A280 HydrophobicContact CZ2-CB 3.78Å
116	P	89.7	Confident	86	Confident	83 Å²	83	73.8 Å²	73.8	54%	0.539	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.8	-173.4	27.5	-36.8	0	0	0	113.7	H112 V118	H112-P116 WeakPolarHBondContact O-CA 3.29Å; H112-P116 WeakPolarHBondContact O-CD 3.39Å; H112-P116 VanDerWaalsContact O-N 3.09Å; P116-V118 VanDerWaalsContact C-N 3.28Å
117	Q	87.8	Confident	84.7	Confident	106 Å²	106	78.4 Å²	78.4	50%	0.495	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-8.2	177.5	76.1	-76.4	6.9	0	0	114	W115	W115-Q117 VanDerWaalsContact C-OE1 3.31Å; W115-Q117 VanDerWaalsContact CE3-NE2 3.3Å; W115-Q117 PolarHBondContact O-N 3.08Å
118	V	90.9	Very high	83.9	Confident	4 Å²	4	80.9 Å²	80.9	2%	0.024	43%	0.432	C	S	.	.			trans	-92.2	113.2	-178.4	-176.5	0	0	0	0	109.4	Q88 T89 L91 F111 W115 P116 V277	Q88-V118 WeakPolarHBondContact O-CG2 3.49Å; T89-V118 CarbonylContact O-C 3.57Å; T89-V118 WeakPolarHBondContact O-CA 3.4Å; L91-V118 HydrophobicContact CB-CG1 4.04Å; F111-V118 HydrophobicContact CE1-CB 4.16Å; F111-V118 HydrophobicContact CE1-CG1 4.09Å; F111-V118 HydrophobicContact CZ-CB 4.42Å; F111-V118 HydrophobicContact CZ-CG1 4.29Å; F111-V118 HydrophobicContact CZ-CG2 4.46Å; W115-V118 HydrophobicContact CB-CB 4.31Å; W115-V118 HydrophobicContact CB-CG2 3.78Å; W115-V118 HydrophobicContact CE3-CG2 4.02Å; W115-V118 HydrophobicContact CG-CG2 4.49Å; W115-V118 PolarHBondContact O-N 3.36Å; W115-V118 VanDerWaalsContact O-N 3.09Å; P116-V118 VanDerWaalsContact C-N 3.28Å; V118-V277 HydrophobicContact CG1-CG1 3.94Å; V118-V277 HydrophobicContact CG2-CG1 4.21Å; V118-V277 HydrophobicContact CG2-CG2 3.63Å
119	E	90.2	Very high	83.5	Confident	104 Å²	104	83.5 Å²	83.5	49%	0.486	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	126.7	169.5	-172	-175.4	178	0	0	109.8	T89 R90 L91	T89-E119 PolarHBondContact O-N 3.28Å; R90-E119 CarbonylContact C-O 3.57Å; R90-E119 VanDerWaalsContact CA-O 3.23Å; R90-E119 WeakPolarHBondContact CA-O 3.42Å; R90-E119 HydrophobicContact CB-CB 4.46Å; R90-E119 HydrophobicContact CG-CB 4.33Å; R90-E119 IonicContact CZ-OE2 3.19Å; R90-E119 IonicContact NE-OE1 3.31Å; R90-E119 IonicContact NE-OE2 3.83Å; R90-E119 PolarHBondContact NE-OE2 2.78Å; R90-E119 IonicContact NH2-OE1 3.02Å; R90-E119 PolarHBondContact NH2-OE1 3.43Å; R90-E119 IonicContact NH2-OE2 2.84Å; R90-E119 PolarHBondContact NH2-OE2 3.25Å; L91-E119 PolarHBondContact N-O 3.21Å
120	M	89.9	Confident	83.5	Confident	45 Å²	45	78.4 Å²	78.4	22%	0.222	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	120.9	178.3	-59.5	-164.7	65.9	0	0	110	I93 L108 F111 F122 F281	I93-M120 HydrophobicContact CD1-CE 3.24Å; L108-M120 HydrophobicContact CB-SD 4.47Å; L108-M120 HydrophobicContact CD2-CE 3.46Å; L108-M120 VanDerWaalsContact CD2-CE 3.46Å; L108-M120 HydrophobicContact CD2-SD 3.92Å; F111-M120 HydrophobicContact CD1-CE 4.47Å; F111-M120 HydrophobicContact CD1-SD 3.63Å; F111-M120 HydrophobicContact CE1-CG 4.43Å; F111-M120 HydrophobicContact CE1-SD 3.95Å; M120-F122 HydrophobicContact CB-CE2 4.13Å; M120-F122 HydrophobicContact CE-CE2 4.15Å; M120-F122 HydrophobicContact CE-CZ 3.92Å; M120-F281 HydrophobicContact CE-CD2 3.85Å; M120-F281 HydrophobicContact CE-CE2 3.6Å
121	D	89.6	Confident	83.6	Confident	64 Å²	64	75.5 Å²	75.5	34%	0.342	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.9	176.6	-178.5	24.7	0	0	0	109.8	L91 R92 I93	L91-D121 PolarHBondContact O-N 2.95Å; R92-D121 CarbonylContact C-O 3.59Å; R92-D121 WeakPolarHBondContact CA-O 3.27Å; R92-D121 HydrophobicContact CG-CB 4.29Å; I93-D121 PolarHBondContact N-O 3Å
122	F	88.7	Confident	83.5	Confident	70 Å²	70	77 Å²	77	31%	0.307	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.8	179.7	-74	-89.2	0	0	0	110.3	I93 I95 L104 L108 M120	I93-F122 HydrophobicContact CB-CD1 4.02Å; I93-F122 HydrophobicContact CB-CE1 3.9Å; I93-F122 HydrophobicContact CD1-CE1 4.07Å; I93-F122 HydrophobicContact CD1-CZ 3.95Å; I93-F122 HydrophobicContact CG2-CD1 4.09Å; I93-F122 HydrophobicContact CG2-CE1 3.79Å; I93-F122 CarbonylContact O-C 3.57Å; I93-F122 WeakPolarHBondContact O-CA 3.5Å; I95-F122 HydrophobicContact CD1-CD1 4.1Å; I95-F122 HydrophobicContact CD1-CE1 4.01Å; I95-F122 HydrophobicContact CG1-CD1 4.42Å; I95-F122 HydrophobicContact CG1-CE1 4.49Å; L104-F122 HydrophobicContact CD2-CE1 3.79Å; L104-F122 HydrophobicContact CD2-CZ 4.19Å; L108-F122 HydrophobicContact CD1-CE2 3.57Å; L108-F122 HydrophobicContact CD1-CZ 3.41Å; L108-F122 VanDerWaalsContact CD1-CZ 3.41Å; L108-F122 HydrophobicContact CD2-CZ 3.92Å; L108-F122 HydrophobicContact CG-CZ 4.29Å; M120-F122 HydrophobicContact CB-CE2 4.13Å; M120-F122 HydrophobicContact CE-CE2 4.15Å; M120-F122 HydrophobicContact CE-CZ 3.92Å
123	K	84.9	Confident	83.4	Confident	66 Å²	66	72.6 Å²	72.6	29%	0.287	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.4	175.1	-62	-168.3	179.7	170.5	0	110.7	I93 F128 E138 L139	I93-K123 PolarHBondContact O-N 3.16Å; K123-F128 HydrophobicContact CB-CE1 4.09Å; K123-F128 HydrophobicContact CB-CZ 4.04Å; K123-F128 HydrophobicContact CD-CZ 4.37Å; K123-E138 PolarHBondContact NZ-O 3.42Å; K123-L139 HydrophobicContact CB-CD2 3.94Å; K123-L139 HydrophobicContact CD-CD2 3.76Å; K123-L139 HydrophobicContact CG-CD2 4.02Å
124	S	75.3	Confident	83.5	Confident	116 Å²	116	65.5 Å²	65.5	81%	0.811	37%	0.368	S	S	*	.			trans	-138.7	151.9	170.2	68.8	0	0	0	0	109.7
125	G	65.5	Low	83.7	Confident	45 Å²	45	63.8 Å²	63.8	46%	0.464	36%	0.356	S	S	.	.			trans	-178.1	149.9	177.9	0	0	0	0	0	112	T127 F128	G125-T127 VanDerWaalsContact C-N 3.32Å; G125-T127 PolarHBondContact O-N 2.89Å; G125-F128 WeakPolarHBondContact O-CB 3.49Å; G125-F128 PolarHBondContact O-N 2.83Å
126	V	56.1	Low	83.5	Confident	156 Å²	156	65.7 Å²	65.7	95%	0.945	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-34.5	-177.2	-176.8	0	0	0	0	111.9
127	T	61.6	Low	83.4	Confident	144 Å²	144	61.9 Å²	61.9	88%	0.883	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	8.4	177.8	57.1	0	0	0	0	112.7	G125	G125-T127 VanDerWaalsContact C-N 3.32Å; G125-T127 PolarHBondContact O-N 2.89Å
128	F	71.8	Confident	83.4	Confident	53 Å²	53	60.7 Å²	60.7	23%	0.232	34%	0.338	C	S	.	.			trans	-85	121.4	-177.7	-176	-113.4	0	0	0	108.8	A94 K123 G125 P130 A133 L139	A94-F128 HydrophobicContact CB-CE1 3.73Å; K123-F128 HydrophobicContact CB-CE1 4.09Å; K123-F128 HydrophobicContact CB-CZ 4.04Å; K123-F128 HydrophobicContact CD-CZ 4.37Å; G125-F128 WeakPolarHBondContact O-CB 3.49Å; G125-F128 PolarHBondContact O-N 2.83Å; F128-P130 HydrophobicContact CD1-CB 4.44Å; F128-P130 HydrophobicContact CD1-CG 3.74Å; F128-P130 HydrophobicContact CE1-CB 4Å; F128-P130 HydrophobicContact CE1-CG 3.78Å; F128-P130 WeakPolarHBondContact O-CD 3.26Å; F128-A133 HydrophobicContact CE2-CB 3.54Å; F128-A133 HydrophobicContact CZ-CB 3.56Å; F128-L139 HydrophobicContact CE1-CD1 3.92Å; F128-L139 HydrophobicContact CZ-CD1 3.65Å; F128-L139 HydrophobicContact CZ-CD2 4Å; F128-L139 HydrophobicContact CZ-CG 3.91Å
129	D	84.4	Confident	83.5	Confident	81 Å²	81	60.5 Å²	60.5	43%	0.433	34%	0.336	S	S	.	.			trans	-101.8	101.8	172	-165.5	-13	0	0	0	108.2	Q131 P132 A133	D129-Q131 VanDerWaalsContact C-N 3.34Å; D129-Q131 PolarHBondContact O-N 2.88Å; D129-P132 HydrophobicContact CB-CG 3.93Å; D129-P132 VanDerWaalsContact CG-CG 3.47Å; D129-P132 WeakPolarHBondContact O-CD 3.38Å; D129-P132 WeakPolarHBondContact OD1-CD 3.23Å; D129-P132 WeakPolarHBondContact OD2-CG 3.17Å; D129-A133 PolarHBondContact O-N 3.43Å
130	P	88.2	Confident	83.6	Confident	12 Å²	12	56.5 Å²	56.5	8%	0.078	32%	0.318	C	S	.	.	H	α-helix	trans	-62.7	-36.3	-170.6	-29.7	40.4	0	0	0	114	A94 E96 F128 A133 L134 L139 V142	A94-P130 HydrophobicContact CB-CB 3.85Å; A94-P130 HydrophobicContact CB-CG 4.16Å; E96-P130 HydrophobicContact CG-CB 3.94Å; E96-P130 HydrophobicContact CG-CG 3.57Å; E96-P130 WeakPolarHBondContact OE1-CD 3.45Å; F128-P130 HydrophobicContact CD1-CB 4.44Å; F128-P130 HydrophobicContact CD1-CG 3.74Å; F128-P130 HydrophobicContact CE1-CB 4Å; F128-P130 HydrophobicContact CE1-CG 3.78Å; F128-P130 WeakPolarHBondContact O-CD 3.26Å; P130-A133 PolarHBondContact O-N 3.23Å; P130-L134 WeakPolarHBondContact O-CB 3.23Å; P130-L134 PolarHBondContact O-N 3.43Å; P130-L139 HydrophobicContact CB-CD1 4.11Å; P130-L139 WeakPolarHBondContact O-CD1 3.34Å; P130-V142 HydrophobicContact CB-CB 4.45Å; P130-V142 HydrophobicContact CB-CG1 3.75Å; P130-V142 HydrophobicContact CB-CG2 3.76Å
131	Q	89.9	Confident	83.8	Confident	3 Å²	3	54.3 Å²	54.3	1%	0.014	31%	0.308	C	S	.	.	H	α-helix	trans	-71	-44.4	-175.2	-57	-165.9	43	0	0	112.4	E96 D129 A133 L134 Q135 V142 D146 L148 L153 Y155	E96-Q131 PolarHBondContact OE2-NE2 3.01Å; D129-Q131 VanDerWaalsContact C-N 3.34Å; D129-Q131 PolarHBondContact O-N 2.88Å; Q131-A133 PolarHBondContact O-N 3Å; Q131-L134 WeakPolarHBondContact O-CB 3.45Å; Q131-L134 PolarHBondContact O-N 2.96Å; Q131-Q135 WeakPolarHBondContact O-CG 3.36Å; Q131-Q135 PolarHBondContact O-N 2.82Å; Q131-V142 HydrophobicContact CG-CG1 4.47Å; Q131-D146 PolarHBondContact NE2-O 2.98Å; Q131-L148 HydrophobicContact CB-CD1 3.75Å; Q131-L148 HydrophobicContact CG-CD1 4.3Å; Q131-L153 HydrophobicContact CB-CD1 4.24Å; Q131-Y155 PolarHBondContact OE1-OH 3.49Å
132	P	89.4	Confident	84	Confident	35 Å²	35	51.3 Å²	51.3	23%	0.227	29%	0.291	C	S	.	.	H	α-helix	trans	-58.2	-41	166.7	-28.1	37.1	0	0	0	113.9	D129 L134 Q135 Q136	D129-P132 HydrophobicContact CB-CG 3.93Å; D129-P132 VanDerWaalsContact CG-CG 3.47Å; D129-P132 WeakPolarHBondContact O-CD 3.38Å; D129-P132 WeakPolarHBondContact OD1-CD 3.23Å; D129-P132 WeakPolarHBondContact OD2-CG 3.17Å; P132-L134 VanDerWaalsContact C-N 3.29Å; P132-L134 PolarHBondContact O-N 2.63Å; P132-Q135 PolarHBondContact O-N 3.34Å; P132-Q136 WeakPolarHBondContact O-CB 3.17Å; P132-Q136 VanDerWaalsContact O-CG 3.27Å; P132-Q136 WeakPolarHBondContact O-CG 3.48Å; P132-Q136 PolarHBondContact O-N 3.33Å
133	A	89.7	Confident	84.2	Confident	6 Å²	6	48 Å²	48	5%	0.05	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-37.6	176.5	0	0	0	0	0	111.8	F128 D129 P130 Q131 Q136 G137 E138 L139	F128-A133 HydrophobicContact CE2-CB 3.54Å; F128-A133 HydrophobicContact CZ-CB 3.56Å; D129-A133 PolarHBondContact O-N 3.43Å; P130-A133 PolarHBondContact O-N 3.23Å; Q131-A133 PolarHBondContact O-N 3Å; A133-Q136 PolarHBondContact O-N 3.39Å; A133-G137 PolarHBondContact O-N 2.94Å; A133-G137 VanDerWaalsContact O-N 3.15Å; A133-E138 HydrophobicContact CB-CB 4.22Å; A133-E138 PolarHBondContact O-N 3.18Å; A133-L139 HydrophobicContact CB-CD1 4Å; A133-L139 HydrophobicContact CB-CG 4.13Å
134	L	92.6	Very high	84.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-43.2	173.7	-179.3	64.6	0	0	0	112.3	P130 Q131 P132 Q136 G137 L139 V142 L153 A267 R269	P130-L134 WeakPolarHBondContact O-CB 3.23Å; P130-L134 PolarHBondContact O-N 3.43Å; Q131-L134 WeakPolarHBondContact O-CB 3.45Å; Q131-L134 PolarHBondContact O-N 2.96Å; P132-L134 VanDerWaalsContact C-N 3.29Å; P132-L134 PolarHBondContact O-N 2.63Å; L134-Q136 VanDerWaalsContact C-N 3.3Å; L134-Q136 PolarHBondContact O-N 3.29Å; L134-G137 PolarHBondContact O-N 3.01Å; L134-L139 HydrophobicContact CB-CB 4.32Å; L134-L139 HydrophobicContact CD1-CB 4.12Å; L134-V142 HydrophobicContact CB-CG2 3.81Å; L134-V142 HydrophobicContact CD2-CB 4.11Å; L134-V142 HydrophobicContact CD2-CG2 3.81Å; L134-V142 HydrophobicContact CG-CG2 4.27Å; L134-L153 HydrophobicContact CB-CD2 4.45Å; L134-L153 HydrophobicContact CD2-CD1 3.94Å; L134-L153 HydrophobicContact CD2-CD2 3.72Å; L134-L153 HydrophobicContact CD2-CG 4.35Å; L134-L153 HydrophobicContact CG-CD2 3.76Å; L134-A267 HydrophobicContact CD2-CB 3.86Å; L134-A267 WeakPolarHBondContact CD2-O 3.34Å; L134-R269 WeakPolarHBondContact O-CD 3.36Å; L134-R269 WeakPolarHBondContact O-CG 3.47Å; L134-R269 PolarHBondContact O-NH1 2.85Å
135	Q	90.4	Very high	85.1	Confident	85 Å²	85	41.5 Å²	41.5	40%	0.397	24%	0.24	S	C	.	.	H	α-helix	trans	-62	-38.7	175.2	-70.2	173.7	-39.8	0	0	112.1	Q131 P132 G137 S151 L153	Q131-Q135 WeakPolarHBondContact O-CG 3.36Å; Q131-Q135 PolarHBondContact O-N 2.82Å; P132-Q135 PolarHBondContact O-N 3.34Å; Q135-G137 PolarHBondContact O-N 3.04Å; Q135-S151 PolarHBondContact NE2-O 2.86Å; Q135-L153 HydrophobicContact CG-CD1 4.11Å; Q135-L153 HydrophobicContact CG-CD2 3.83Å; Q135-L153 HydrophobicContact CG-CG 4.01Å
136	Q	87.5	Confident	86.1	Confident	102 Å²	102	40.8 Å²	40.8	48%	0.477	23%	0.225	S	C	.	.	H	α-helix	trans	-77.9	-8.5	179.9	-68.9	172.2	36.3	0	0	113.1	Q78 P132 A133 L134 E138	Q78-Q136 PolarHBondContact OE1-O 2.97Å; Q78-Q136 VanDerWaalsContact OE1-O 3.05Å; P132-Q136 WeakPolarHBondContact O-CB 3.17Å; P132-Q136 VanDerWaalsContact O-CG 3.27Å; P132-Q136 WeakPolarHBondContact O-CG 3.48Å; P132-Q136 PolarHBondContact O-N 3.33Å; A133-Q136 PolarHBondContact O-N 3.39Å; L134-Q136 VanDerWaalsContact C-N 3.3Å; L134-Q136 PolarHBondContact O-N 3.29Å; Q136-E138 HydrophobicContact CB-CG 4.38Å
137	G	87.8	Confident	87.7	Confident	3 Å²	3	37.3 Å²	37.3	3%	0.031	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	-1.5	179.1	0	0	0	0	0	114.5	Q78 R92 A133 L134 Q135 L139	Q78-G137 VanDerWaalsContact CD-O 3.29Å; Q78-G137 PolarHBondContact NE2-O 3.27Å; Q78-G137 VanDerWaalsContact OE1-C 3.25Å; Q78-G137 VanDerWaalsContact OE1-CA 3.26Å; Q78-G137 PolarHBondContact OE1-O 3.35Å; R92-G137 PolarHBondContact NH1-O 2.84Å; R92-G137 PolarHBondContact NH2-O 2.8Å; A133-G137 PolarHBondContact O-N 2.94Å; A133-G137 VanDerWaalsContact O-N 3.15Å; L134-G137 PolarHBondContact O-N 3.01Å; Q135-G137 PolarHBondContact O-N 3.04Å; G137-L139 PolarHBondContact O-N 3.33Å
138	E	87.9	Confident	88.9	Confident	81 Å²	81	33.9 Å²	33.9	38%	0.379	18%	0.177	S	C	.	.	S	Bend	trans	-70.4	-18.7	-177	-58.7	-173.2	178.9	0	0	114.1	K123 A133 Q136	K123-E138 PolarHBondContact NZ-O 3.42Å; A133-E138 HydrophobicContact CB-CB 4.22Å; A133-E138 PolarHBondContact O-N 3.18Å; Q136-E138 HydrophobicContact CB-CG 4.38Å
139	L	92.3	Very high	89.5	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.2	C	C	.	.			trans	-121.4	163.1	172.2	-64.1	175.4	0	0	0	109.9	R92 A94 K123 F128 P130 A133 L134 G137 V142 R269	R92-L139 HydrophobicContact CB-CD2 4.38Å; A94-L139 HydrophobicContact CB-CD1 3.45Å; A94-L139 VanDerWaalsContact CB-CD1 3.45Å; A94-L139 HydrophobicContact CB-CD2 4Å; A94-L139 HydrophobicContact CB-CG 4.38Å; K123-L139 HydrophobicContact CB-CD2 3.94Å; K123-L139 HydrophobicContact CD-CD2 3.76Å; K123-L139 HydrophobicContact CG-CD2 4.02Å; F128-L139 HydrophobicContact CE1-CD1 3.92Å; F128-L139 HydrophobicContact CZ-CD1 3.65Å; F128-L139 HydrophobicContact CZ-CD2 4Å; F128-L139 HydrophobicContact CZ-CG 3.91Å; P130-L139 HydrophobicContact CB-CD1 4.11Å; P130-L139 WeakPolarHBondContact O-CD1 3.34Å; A133-L139 HydrophobicContact CB-CD1 4Å; A133-L139 HydrophobicContact CB-CG 4.13Å; L134-L139 HydrophobicContact CB-CB 4.32Å; L134-L139 HydrophobicContact CD1-CB 4.12Å; G137-L139 PolarHBondContact O-N 3.33Å; L139-V142 HydrophobicContact CD1-CG2 3.52Å; L139-R269 PolarHBondContact O-NH1 2.99Å
140	D	91.9	Very high	89.4	Confident	19 Å²	19	45 Å²	45	10%	0.102	23%	0.225	C	C	.	.	S	Bend	trans	-108.7	-28.1	172.2	-58.1	-52.3	0	0	0	111.7	L91 R92 R269	L91-D140 HydrophobicContact CD1-CB 3.72Å; R92-D140 WeakPolarHBondContact CB-OD2 3.44Å; R92-D140 IonicContact CZ-OD1 3.79Å; R92-D140 IonicContact CZ-OD2 2.78Å; R92-D140 PolarHBondContact N-OD2 2.8Å; R92-D140 IonicContact NE-OD1 3.69Å; R92-D140 IonicContact NE-OD2 3.12Å; R92-D140 PolarHBondContact NE-OD2 3Å; R92-D140 IonicContact NH2-OD1 3.48Å; R92-D140 PolarHBondContact NH2-OD1 2.88Å; R92-D140 IonicContact NH2-OD2 3.88Å; R92-D140 PolarHBondContact O-N 3.02Å; D140-R269 IonicContact OD1-NH2 3.73Å; D140-R269 PolarHBondContact OD1-NH2 3.35Å
141	L	94	Very high	89.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	140.7	179.9	-176.6	150	0	0	0	111.8	R92 I93 A94 M143 A266 A267 V268 T278 F281 I282	R92-L141 PolarHBondContact O-N 3.47Å; R92-L141 VanDerWaalsContact O-N 3.16Å; I93-L141 VanDerWaalsContact CA-O 3.32Å; I93-L141 WeakPolarHBondContact CA-O 3.33Å; I93-L141 HydrophobicContact CG1-CB 4.38Å; I93-L141 HydrophobicContact CG1-CD2 4.47Å; I93-L141 HydrophobicContact CG2-CD2 3.95Å; A94-L141 PolarHBondContact N-O 2.88Å; L141-M143 HydrophobicContact CD2-CG 3.66Å; L141-A266 HydrophobicContact CD1-CB 4.04Å; L141-A266 HydrophobicContact CD2-CB 4.46Å; L141-A266 HydrophobicContact CG-CB 4.29Å; L141-A267 CarbonylContact C-O 3.21Å; L141-A267 WeakPolarHBondContact CA-O 3.36Å; L141-V268 HydrophobicContact CB-CG1 4.27Å; L141-V268 HydrophobicContact CD1-CG1 4.17Å; L141-V268 HydrophobicContact CG-CG1 4.2Å; L141-T278 HydrophobicContact CD1-CG2 4.34Å; L141-F281 HydrophobicContact CD1-CD1 3.52Å; L141-F281 HydrophobicContact CD1-CE1 3.71Å; L141-F281 HydrophobicContact CD2-CD1 4.38Å; L141-F281 HydrophobicContact CD2-CE1 3.71Å; L141-F281 HydrophobicContact CG-CE1 4.36Å; L141-I282 HydrophobicContact CD1-CD1 3.98Å; L141-I282 HydrophobicContact CD1-CG1 3.6Å
142	V	94.4	Very high	89.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.7	171.2	176.6	0	0	0	0	109.7	A94 E96 P130 Q131 L134 L139 T144 A267	A94-V142 HydrophobicContact CB-CG2 4.36Å; A94-V142 CarbonylContact O-C 3.58Å; A94-V142 WeakPolarHBondContact O-CA 3.43Å; E96-V142 HydrophobicContact CG-CG1 4.05Å; P130-V142 HydrophobicContact CB-CB 4.45Å; P130-V142 HydrophobicContact CB-CG1 3.75Å; P130-V142 HydrophobicContact CB-CG2 3.76Å; Q131-V142 HydrophobicContact CG-CG1 4.47Å; L134-V142 HydrophobicContact CB-CG2 3.81Å; L134-V142 HydrophobicContact CD2-CB 4.11Å; L134-V142 HydrophobicContact CD2-CG2 3.81Å; L134-V142 HydrophobicContact CG-CG2 4.27Å; L139-V142 HydrophobicContact CD1-CG2 3.52Å; V142-T144 HydrophobicContact CG1-CG2 4.32Å; V142-A267 HydrophobicContact CB-CB 4.26Å; V142-A267 PolarHBondContact N-O 3.31Å; V142-A267 PolarHBondContact O-N 3.29Å
143	M	93	Very high	89.4	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	116.2	169.9	-65.7	176.9	63.8	0	0	109.8	A94 I95 E96 W103 L104 L141 M158 L264 Y265 F281	A94-M143 PolarHBondContact O-N 3.44Å; I95-M143 HydrophobicContact CG1-SD 4.46Å; I95-M143 HydrophobicContact CG2-CB 4.34Å; E96-M143 PolarHBondContact N-O 3.32Å; W103-M143 HydrophobicContact CH2-CE 3.43Å; W103-M143 VanDerWaalsContact CH2-CE 3.43Å; W103-M143 HydrophobicContact CZ2-CE 3.34Å; L104-M143 HydrophobicContact CD1-CE 4.23Å; L104-M143 HydrophobicContact CD1-SD 4.03Å; L104-M143 HydrophobicContact CD2-SD 3.74Å; L141-M143 HydrophobicContact CD2-CG 3.66Å; M143-M158 HydrophobicContact CE-CE 3.86Å; M143-M158 HydrophobicContact CE-SD 3.94Å; M143-M158 HydrophobicContact CG-SD 4.36Å; M143-L264 HydrophobicContact CE-CD2 3.77Å; M143-Y265 WeakPolarHBondContact CA-O 3.45Å; M143-F281 HydrophobicContact SD-CZ 4.39Å
144	T	91.2	Very high	89.6	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	153.5	-170.3	-174.5	0	0	0	0	113.3	E96 V142 D146 Y155 Y265 A267	E96-T144 WeakPolarHBondContact OE2-CB 3.36Å; E96-T144 PolarHBondContact OE2-OG1 3.21Å; V142-T144 HydrophobicContact CG1-CG2 4.32Å; T144-D146 WeakPolarHBondContact CG2-O 3.33Å; T144-D146 PolarHBondContact OG1-N 3.21Å; T144-Y155 HydrophobicContact CG2-CD1 4.13Å; T144-Y155 HydrophobicContact CG2-CE1 3.96Å; T144-Y265 PolarHBondContact N-O 3.27Å; T144-Y265 WeakPolarHBondContact O-CA 2.82Å; T144-Y265 WeakPolarHBondContact O-CB 3.2Å; T144-Y265 PolarHBondContact O-N 2.9Å; T144-A267 HydrophobicContact CG2-CB 4.15Å
145	S	88.4	Confident	89.7	Confident	45 Å²	45	50.8 Å²	50.8	32%	0.315	26%	0.262	S	S	.	.	S	Bend	trans	-94.8	-12.1	165.5	53.8	0	0	0	0	112.8	R263	S145-R263 WeakPolarHBondContact CA-O 3.18Å
146	D	85.5	Confident	89.9	Confident	30 Å²	30	47.4 Å²	47.4	16%	0.16	25%	0.248	C	C	.	.			trans	-93.2	119.8	-176.1	-75.4	-27.8	0	0	0	111.1	Q131 T144 Y155 R198	Q131-D146 PolarHBondContact NE2-O 2.98Å; T144-D146 WeakPolarHBondContact CG2-O 3.33Å; T144-D146 PolarHBondContact OG1-N 3.21Å; D146-Y155 WeakPolarHBondContact O-CE1 3.36Å; D146-R198 WeakPolarHBondContact OD2-CD 3.37Å; D146-R198 IonicContact OD2-CZ 2.74Å; D146-R198 IonicContact OD2-NE 2.66Å; D146-R198 IonicContact OD2-NH1 3.66Å; D146-R198 PolarHBondContact OD2-NH1 3.04Å
147	I	89.4	Confident	90.3	Very high	83 Å²	83	44.9 Å²	44.9	43%	0.426	24%	0.241	S	C	.	.			trans	-95.6	126.1	171.7	-60.6	177.6	0	0	0	109.2	P149 Y155 Y265	I147-P149 WeakPolarHBondContact O-CD 3.4Å; I147-Y155 HydrophobicContact CG1-CD1 4.14Å; I147-Y155 HydrophobicContact CG1-CG 4.15Å; I147-Y155 HydrophobicContact CG2-CD2 3.94Å; I147-Y155 HydrophobicContact CG2-CE2 3.9Å; I147-Y155 HydrophobicContact CG2-CG 4.39Å; I147-Y265 HydrophobicContact CD1-CD2 4.45Å; I147-Y265 HydrophobicContact CD1-CE1 4.07Å; I147-Y265 HydrophobicContact CD1-CE2 3.84Å; I147-Y265 HydrophobicContact CG1-CD2 4.23Å; I147-Y265 HydrophobicContact CG1-CE2 4Å
148	L	87.2	Confident	90.5	Very high	73 Å²	73	44.8 Å²	44.8	38%	0.382	24%	0.24	S	C	.	.			trans	-98.5	109.1	169.7	-63.1	177.5	0	0	0	109.8	Q131 S151 Y155	Q131-L148 HydrophobicContact CB-CD1 3.75Å; Q131-L148 HydrophobicContact CG-CD1 4.3Å; L148-S151 VanDerWaalsContact O-CB 3.3Å; L148-S151 WeakPolarHBondContact O-CB 3.28Å; L148-S151 PolarHBondContact O-OG 3.41Å; L148-Y155 WeakPolarHBondContact CB-OH 3.44Å; L148-Y155 PolarHBondContact N-OH 3.04Å
149	P	84.3	Confident	90.9	Very high	111 Å²	111	40.9 Å²	40.9	72%	0.721	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	142.8	176.3	-21.6	33.5	0	0	0	111.4	I147 S151	I147-P149 WeakPolarHBondContact O-CD 3.4Å; P149-S151 PolarHBondContact O-N 2.9Å
150	R	82.3	Confident	91	Very high	257 Å²	257	41.8 Å²	41.8	97%	0.97	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	26.6	176.7	-50.2	178.9	-178.3	-175.2	-0	114.2
151	S	86.5	Confident	91.1	Very high	19 Å²	19	41.4 Å²	41.4	13%	0.133	22%	0.224	C	C	.	.	S	Bend	trans	-80.7	-11.2	179.3	58.3	0	0	0	0	114.2	Q135 L148 P149 L153	Q135-S151 PolarHBondContact NE2-O 2.86Å; L148-S151 VanDerWaalsContact O-CB 3.3Å; L148-S151 WeakPolarHBondContact O-CB 3.28Å; L148-S151 PolarHBondContact O-OG 3.41Å; P149-S151 PolarHBondContact O-N 2.9Å; S151-L153 PolarHBondContact O-N 3.46Å; S151-L153 WeakPolarHBondContact OG-CB 3.18Å; S151-L153 WeakPolarHBondContact OG-CG 3.34Å; S151-L153 PolarHBondContact OG-N 3.21Å
152	G	87.2	Confident	91.2	Very high	52 Å²	52	41.8 Å²	41.8	54%	0.536	23%	0.225	S	C	.	.	S	Bend	trans	71	15.6	-168.2	0	0	0	0	0	113.2	D270	G152-D270 WeakPolarHBondContact O-CB 3.16Å; G152-D270 PolarHBondContact O-N 2.99Å
153	L	93.6	Very high	91.2	Very high	18 Å²	18	42.1 Å²	42.1	9%	0.094	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	145.4	175.6	-54.7	177.9	0	0	0	110.4	Q131 L134 Q135 S151 Y155 V268 R269	Q131-L153 HydrophobicContact CB-CD1 4.24Å; L134-L153 HydrophobicContact CB-CD2 4.45Å; L134-L153 HydrophobicContact CD2-CD1 3.94Å; L134-L153 HydrophobicContact CD2-CD2 3.72Å; L134-L153 HydrophobicContact CD2-CG 4.35Å; L134-L153 HydrophobicContact CG-CD2 3.76Å; Q135-L153 HydrophobicContact CG-CD1 4.11Å; Q135-L153 HydrophobicContact CG-CD2 3.83Å; Q135-L153 HydrophobicContact CG-CG 4.01Å; S151-L153 PolarHBondContact O-N 3.46Å; S151-L153 WeakPolarHBondContact OG-CB 3.18Å; S151-L153 WeakPolarHBondContact OG-CG 3.34Å; S151-L153 PolarHBondContact OG-N 3.21Å; L153-Y155 HydrophobicContact CB-CE2 3.89Å; L153-V268 CarbonylContact C-O 3.45Å; L153-V268 VanDerWaalsContact CA-O 3.23Å; L153-V268 WeakPolarHBondContact CA-O 3.49Å; L153-R269 HydrophobicContact CD2-CG 4.2Å
154	H	94	Very high	91.4	Very high	61 Å²	61	43 Å²	43	28%	0.282	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.6	168.4	179.1	-179.8	0	0	0	109.5	A267 V268 Q273	H154-A267 CarbonylContact O-C 3.54Å; H154-A267 WeakPolarHBondContact O-CA 3.41Å; H154-V268 HydrophobicContact CB-CG2 4.2Å; H154-V268 PolarHBondContact N-O 2.84Å; H154-V268 PolarHBondContact O-N 3.4Å; H154-Q273 VanDerWaalsContact CE1-CG 3.48Å; H154-Q273 WeakPolarHBondContact CE1-CG 3.36Å; H154-Q273 WeakPolarHBondContact ND1-CG 3.1Å; H154-Q273 PolarHBondContact ND1-NE2 3.17Å
155	Y	95.6	Very high	91.8	Very high	26 Å²	26	43 Å²	43	10%	0.102	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	100.9	174.4	-59.1	-95	0	0	0	110.6	Q131 T144 D146 I147 L148 L153 A267	Q131-Y155 PolarHBondContact OE1-OH 3.49Å; T144-Y155 HydrophobicContact CG2-CD1 4.13Å; T144-Y155 HydrophobicContact CG2-CE1 3.96Å; D146-Y155 WeakPolarHBondContact O-CE1 3.36Å; I147-Y155 HydrophobicContact CG1-CD1 4.14Å; I147-Y155 HydrophobicContact CG1-CG 4.15Å; I147-Y155 HydrophobicContact CG2-CD2 3.94Å; I147-Y155 HydrophobicContact CG2-CE2 3.9Å; I147-Y155 HydrophobicContact CG2-CG 4.39Å; L148-Y155 WeakPolarHBondContact CB-OH 3.44Å; L148-Y155 PolarHBondContact N-OH 3.04Å; L153-Y155 HydrophobicContact CB-CE2 3.89Å; Y155-A267 HydrophobicContact CD1-CB 3.59Å; Y155-A267 HydrophobicContact CE1-CB 3.58Å; Y155-A267 HydrophobicContact CG-CB 4.37Å
156	S	94.6	Very high	92.3	Very high	14 Å²	14	40.9 Å²	40.9	10%	0.098	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	120	173	-68.2	0	0	0	0	109.7	M158 Y265 A266	S156-M158 PolarHBondContact O-N 2.98Å; S156-Y265 CarbonylContact O-C 3.5Å; S156-Y265 WeakPolarHBondContact O-CA 3.27Å; S156-A266 PolarHBondContact N-O 3.07Å; S156-A266 PolarHBondContact O-N 3.42Å
157	P	94.2	Very high	92.9	Very high	50 Å²	50	39.4 Å²	39.4	33%	0.325	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	131.7	178.9	27.5	-34.4	0	0	0	110.1	Y265 R286 A299	P157-Y265 HydrophobicContact CB-CD1 4.19Å; P157-Y265 HydrophobicContact CB-CE1 4.13Å; P157-R286 VanDerWaalsContact O-CZ 3.31Å; P157-R286 PolarHBondContact O-NE 2.93Å; P157-R286 PolarHBondContact O-NH2 2.84Å; P157-A299 HydrophobicContact CB-CB 3.84Å
158	M	93.8	Very high	93.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-70.3	175.4	-60.1	-175.6	70.8	0	0	109	W103 M143 S156 L264 A266 A285 R286	W103-M158 HydrophobicContact CH2-CE 4.04Å; M143-M158 HydrophobicContact CE-CE 3.86Å; M143-M158 HydrophobicContact CE-SD 3.94Å; M143-M158 HydrophobicContact CG-SD 4.36Å; S156-M158 PolarHBondContact O-N 2.98Å; M158-L264 WeakPolarHBondContact CB-O 3.38Å; M158-L264 PolarHBondContact N-O 2.88Å; M158-L264 HydrophobicContact SD-CD2 4.08Å; M158-L264 HydrophobicContact SD-CG 4.26Å; M158-A266 HydrophobicContact CG-CB 4.1Å; M158-A266 HydrophobicContact SD-CB 3.91Å; M158-A285 HydrophobicContact CE-CB 3.56Å; M158-R286 WeakPolarHBondContact O-CD 3.42Å; M158-R286 VanDerWaalsContact O-CG 3.26Å; M158-R286 WeakPolarHBondContact O-CG 3.36Å; M158-R286 PolarHBondContact O-NE 2.94Å
159	F	94.7	Very high	93.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	161.8	-177.2	52.7	-97.7	0	0	0	110.3	W103 Y161 W240 L264 A289 V296 K297	W103-F159 AromaticContact CH2-CE1 3.73Å; W103-F159 HydrophobicContact CH2-CE1 3.73Å; W103-F159 HydrophobicContact CH2-CZ 4.01Å; W103-F159 AromaticContact CZ2-CE1 3.78Å; W103-F159 HydrophobicContact CZ2-CE1 3.78Å; W103-F159 AromaticContact CZ2-CZ 3.56Å; W103-F159 HydrophobicContact CZ2-CZ 3.56Å; W103-F159 HydrophobicContact CZ3-CE1 4.47Å; F159-Y161 HydrophobicContact CD2-CD1 4.47Å; F159-Y161 HydrophobicContact CE2-CD1 4.27Å; F159-W240 AromaticContact CE2-CH2 3.87Å; F159-W240 HydrophobicContact CE2-CH2 3.87Å; F159-W240 AromaticContact CE2-CZ3 3.94Å; F159-W240 HydrophobicContact CE2-CZ3 3.94Å; F159-L264 HydrophobicContact CD2-CB 4.44Å; F159-L264 HydrophobicContact CE1-CD2 3.84Å; F159-L264 HydrophobicContact CE2-CB 4.08Å; F159-L264 HydrophobicContact CE2-CD2 4.07Å; F159-L264 HydrophobicContact CZ-CB 4.17Å; F159-L264 HydrophobicContact CZ-CD2 3.4Å; F159-L264 HydrophobicContact CZ-CG 4.43Å; F159-L264 PolarHBondContact O-N 2.85Å; F159-A289 HydrophobicContact CD1-CB 3.52Å; F159-A289 HydrophobicContact CE1-CB 3.2Å; F159-A289 HydrophobicContact CE2-CB 4.48Å; F159-A289 HydrophobicContact CG-CB 4.3Å; F159-A289 HydrophobicContact CZ-CB 3.74Å; F159-V296 HydrophobicContact CB-CG1 3.72Å; F159-V296 HydrophobicContact CD2-CG1 3.58Å; F159-V296 HydrophobicContact CD2-CG2 4.26Å; F159-V296 HydrophobicContact CE2-CG1 4.35Å; F159-V296 HydrophobicContact CE2-CG2 4.38Å; F159-V296 HydrophobicContact CG-CG1 3.72Å; F159-K297 CarbonylContact C-O 3.59Å; F159-K297 WeakPolarHBondContact CA-O 3.21Å; F159-K297 WeakPolarHBondContact CB-O 3.27Å
160	D	95.2	Very high	94.4	Very high	19 Å²	19	35.1 Å²	35.1	10%	0.102	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	146.7	168.1	-62.4	-33.1	0	0	0	110.3	W261 S262 R263 V296 K297	D160-W261 HydrophobicContact CB-CE3 4.15Å; D160-S262 CarbonylContact C-O 3.58Å; D160-S262 WeakPolarHBondContact CA-O 3.26Å; D160-R263 VanDerWaalsContact OD1-CB 3.25Å; D160-R263 WeakPolarHBondContact OD1-CB 3.44Å; D160-R263 WeakPolarHBondContact OD1-CG 3.34Å; D160-R263 IonicContact OD1-CZ 3.37Å; D160-R263 IonicContact OD1-NE 3.89Å; D160-R263 PolarHBondContact OD1-NE 3.33Å; D160-R263 IonicContact OD1-NH2 3.55Å; D160-R263 PolarHBondContact OD1-NH2 3.41Å; D160-R263 IonicContact OD2-CZ 3.7Å; D160-R263 IonicContact OD2-NE 2.76Å; D160-R263 IonicContact OD2-NH2 3.87Å; D160-R263 PolarHBondContact OD2-NH2 2.95Å; D160-V296 CarbonylContact O-C 3.47Å; D160-V296 VanDerWaalsContact O-CA 3.27Å; D160-V296 WeakPolarHBondContact O-CA 3.4Å; D160-K297 HydrophobicContact CB-CB 4.32Å; D160-K297 PolarHBondContact N-O 3.3Å; D160-K297 PolarHBondContact O-N 3.04Å
161	Y	94.9	Very high	95.1	Very high	11 Å²	11	23.7 Å²	23.7	4%	0.043	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	147.3	179.5	62.1	-91.9	0	0	0	111.8	F159 V163 P238 W240 W261 S262 L264 F295	F159-Y161 HydrophobicContact CD2-CD1 4.47Å; F159-Y161 HydrophobicContact CE2-CD1 4.27Å; Y161-V163 HydrophobicContact CD2-CG2 4.15Å; Y161-V163 HydrophobicContact CE2-CG2 3.71Å; Y161-P238 HydrophobicContact CD2-CB 3.92Å; Y161-P238 HydrophobicContact CD2-CG 3.96Å; Y161-P238 HydrophobicContact CE2-CB 4.24Å; Y161-P238 HydrophobicContact CE2-CG 3.75Å; Y161-W240 VanDerWaalsContact CB-CH2 3.41Å; Y161-W240 AromaticContact CD1-CH2 3.61Å; Y161-W240 HydrophobicContact CD1-CH2 3.61Å; Y161-W240 HydrophobicContact CD1-CZ3 4.3Å; Y161-W240 AromaticContact CD2-CH2 3.63Å; Y161-W240 HydrophobicContact CD2-CH2 3.63Å; Y161-W240 HydrophobicContact CD2-CZ2 4.41Å; Y161-W240 HydrophobicContact CD2-CZ3 4.14Å; Y161-W240 HydrophobicContact CE1-CH2 4.22Å; Y161-W240 HydrophobicContact CE2-CH2 4.26Å; Y161-W240 AromaticContact CG-CH2 3.27Å; Y161-W240 HydrophobicContact CG-CH2 3.27Å; Y161-W240 HydrophobicContact CG-CZ2 4.37Å; Y161-W240 AromaticContact CG-CZ3 3.67Å; Y161-W240 HydrophobicContact CG-CZ3 3.67Å; Y161-W261 VanDerWaalsContact C-CE3 3.47Å; Y161-W261 WeakPolarHBondContact O-CA 3.37Å; Y161-S262 VanDerWaalsContact CD1-O 3.32Å; Y161-S262 WeakPolarHBondContact CD1-O 3.44Å; Y161-S262 PolarHBondContact N-O 3.37Å; Y161-S262 PolarHBondContact O-N 2.76Å; Y161-S262 WeakPolarHBondContact OH-CB 3.28Å; Y161-L264 HydrophobicContact CD1-CB 4.32Å; Y161-L264 HydrophobicContact CE1-CB 4.11Å; Y161-F295 WeakPolarHBondContact CA-O 3.49Å
162	E	95.3	Very high	95.6	Very high	8 Å²	8	27.1 Å²	27.1	4%	0.037	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123.8	173.5	-161.7	-174	-175.1	0	0	110.4	R164 T255 L260 W261 F295	E162-R164 HydrophobicContact CB-CG 4.25Å; E162-R164 HydrophobicContact CG-CG 3.95Å; E162-R164 IonicContact OE1-NH1 3.61Å; E162-R164 PolarHBondContact OE1-NH1 3.42Å; E162-R164 IonicContact OE2-CZ 3.46Å; E162-R164 IonicContact OE2-NH1 2.7Å; E162-R164 PolarHBondContact OE2-NH1 3.27Å; E162-T255 WeakPolarHBondContact OE1-CB 3.39Å; E162-T255 WeakPolarHBondContact OE1-CG2 3.26Å; E162-T255 PolarHBondContact OE1-OG1 3.02Å; E162-L260 CarbonylContact C-O 3.55Å; E162-L260 WeakPolarHBondContact CA-O 3.32Å; E162-W261 HydrophobicContact CB-CD2 4.26Å; E162-W261 HydrophobicContact CB-CE3 4.32Å; E162-W261 HydrophobicContact CB-CH2 4.07Å; E162-W261 HydrophobicContact CB-CZ2 4.02Å; E162-W261 HydrophobicContact CB-CZ3 4.23Å; E162-W261 HydrophobicContact CG-CZ2 4.32Å; E162-F295 HydrophobicContact CB-CB 3.91Å; E162-F295 PolarHBondContact N-O 2.83Å; E162-F295 WeakPolarHBondContact OE2-CD1 3.36Å
163	V	95.4	Very high	96.1	Very high	6 Å²	6	25.3 Å²	25.3	4%	0.036	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	118.1	162.2	178.9	0	0	0	0	107.6	Y161 D200 A236 L260	Y161-V163 HydrophobicContact CD2-CG2 4.15Å; Y161-V163 HydrophobicContact CE2-CG2 3.71Å; V163-D200 HydrophobicContact CG2-CB 4.17Å; V163-A236 HydrophobicContact CG1-CB 3.86Å; V163-L260 HydrophobicContact CB-CB 4.36Å; V163-L260 HydrophobicContact CB-CD2 3.77Å; V163-L260 HydrophobicContact CB-CG 3.89Å; V163-L260 HydrophobicContact CG1-CD2 3.85Å; V163-L260 HydrophobicContact CG2-CD2 4.49Å; V163-L260 HydrophobicContact CG2-CG 4.45Å; V163-L260 PolarHBondContact N-O 3.25Å
164	R	97	Very high	96.3	Very high	20 Å²	20	25.4 Å²	25.4	8%	0.075	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	148.7	-176.5	-61.4	-179.8	66.8	74.2	4.3	110.6	E162 A236 L237 T253 T255	E162-R164 HydrophobicContact CB-CG 4.25Å; E162-R164 HydrophobicContact CG-CG 3.95Å; E162-R164 IonicContact OE1-NH1 3.61Å; E162-R164 PolarHBondContact OE1-NH1 3.42Å; E162-R164 IonicContact OE2-CZ 3.46Å; E162-R164 IonicContact OE2-NH1 2.7Å; E162-R164 PolarHBondContact OE2-NH1 3.27Å; R164-A236 WeakPolarHBondContact O-CA 3.32Å; R164-L237 PolarHBondContact N-O 2.92Å; R164-L237 PolarHBondContact O-N 3.37Å; R164-T253 PolarHBondContact NE-OG1 3Å; R164-T253 PolarHBondContact NH2-O 3.49Å; R164-T253 PolarHBondContact NH2-OG1 3.18Å; R164-T255 PolarHBondContact NH1-OG1 3Å
165	L	98.3	Very high	96.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	129.2	170.5	-175	69.1	0	0	0	109.1	L167 L173 I179 L184 I234 A235 T253 K254 L256	L165-L167 HydrophobicContact CD1-CD2 4.44Å; L165-L167 HydrophobicContact CD2-CD1 3.99Å; L165-L167 HydrophobicContact CD2-CD2 3.81Å; L165-L167 HydrophobicContact CD2-CG 4.03Å; L165-L167 HydrophobicContact CG-CD1 4.43Å; L165-L167 HydrophobicContact CG-CD2 3.89Å; L165-L167 HydrophobicContact CG-CG 4Å; L165-L173 HydrophobicContact CD2-CD1 4.44Å; L165-I179 HydrophobicContact CD2-CD1 4.21Å; L165-I179 HydrophobicContact CD2-CG1 4.02Å; L165-I179 HydrophobicContact CD2-CG2 4.04Å; L165-L184 HydrophobicContact CD1-CD1 4.4Å; L165-L184 HydrophobicContact CD1-CD2 4.15Å; L165-L184 HydrophobicContact CD2-CD2 4.03Å; L165-I234 HydrophobicContact CD1-CB 4.23Å; L165-I234 HydrophobicContact CD1-CD1 3.82Å; L165-I234 HydrophobicContact CD1-CG1 4.41Å; L165-A235 CarbonylContact C-O 3.47Å; L165-A235 WeakPolarHBondContact CA-O 3.32Å; L165-T253 CarbonylContact O-C 3.56Å; L165-T253 WeakPolarHBondContact O-CA 3.35Å; L165-K254 HydrophobicContact CB-CB 4.34Å; L165-K254 PolarHBondContact N-O 2.8Å; L165-K254 PolarHBondContact O-N 3.27Å; L165-L256 HydrophobicContact CB-CD2 3.88Å; L165-L256 HydrophobicContact CB-CG 4.03Å; L165-L256 HydrophobicContact CD1-CD2 4.32Å; L165-L256 HydrophobicContact CD2-CD2 4.47Å; L165-L256 HydrophobicContact CG-CD2 4.46Å
166	V	98.5	Very high	96.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.2	179.1	-167.7	0	0	0	0	108.3	V228 A235 L237 V242 V251	V166-V228 HydrophobicContact CB-CG1 4.48Å; V166-V228 HydrophobicContact CG1-CG1 4.03Å; V166-A235 HydrophobicContact CB-CB 4.28Å; V166-A235 PolarHBondContact N-O 2.75Å; V166-A235 PolarHBondContact O-N 3.28Å; V166-A235 VanDerWaalsContact O-N 3.17Å; V166-L237 HydrophobicContact CG2-CB 4.06Å; V166-L237 HydrophobicContact CG2-CD1 4.23Å; V166-L237 HydrophobicContact CG2-CG 4.27Å; V166-V242 HydrophobicContact CG1-CB 4.49Å; V166-V242 HydrophobicContact CG1-CG1 3.98Å; V166-V242 HydrophobicContact CG2-CG1 3.97Å; V166-V242 HydrophobicContact CG2-CG2 4.24Å; V166-V251 HydrophobicContact CG1-CB 3.86Å; V166-V251 HydrophobicContact CG1-CG1 4.09Å; V166-V251 HydrophobicContact CG1-CG2 4Å
167	L	98.6	Very high	96.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156.4	-172.8	-59.7	172.2	0	0	0	110.7	L165 H171 L173 A174 I234 V251 V252 K254	L165-L167 HydrophobicContact CD1-CD2 4.44Å; L165-L167 HydrophobicContact CD2-CD1 3.99Å; L165-L167 HydrophobicContact CD2-CD2 3.81Å; L165-L167 HydrophobicContact CD2-CG 4.03Å; L165-L167 HydrophobicContact CG-CD1 4.43Å; L165-L167 HydrophobicContact CG-CD2 3.89Å; L165-L167 HydrophobicContact CG-CG 4Å; L167-H171 HydrophobicContact CB-CB 4.02Å; L167-L173 HydrophobicContact CD1-CB 3.73Å; L167-L173 HydrophobicContact CD2-CB 4.31Å; L167-A174 HydrophobicContact CD1-CB 4.26Å; L167-I234 HydrophobicContact CD2-CB 4.03Å; L167-I234 HydrophobicContact CD2-CG2 3.35Å; L167-V251 CarbonylContact O-C 3.5Å; L167-V251 VanDerWaalsContact O-CA 3.28Å; L167-V251 WeakPolarHBondContact O-CA 3.28Å; L167-V251 WeakPolarHBondContact O-CB 3.25Å; L167-V252 HydrophobicContact CB-CG2 4.04Å; L167-V252 PolarHBondContact N-O 3.45Å; L167-V252 PolarHBondContact O-N 3.45Å; L167-K254 HydrophobicContact CD1-CG 3.83Å
168	A	98.5	Very high	96.3	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.008	22%	0.224	C	C	.	.			trans	-62.3	147.2	160.4	0	0	0	0	0	110.2	D170 H171 R231	A168-D170 PolarHBondContact O-N 3.38Å; A168-H171 HydrophobicContact CB-CB 4.36Å; A168-H171 WeakPolarHBondContact O-CB 3.41Å; A168-H171 PolarHBondContact O-N 3.16Å; A168-R231 HydrophobicContact CB-CG 3.7Å
169	P	97.8	Very high	96.4	Very high	63 Å²	63	39.6 Å²	39.6	41%	0.409	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-32	-178.1	-24.7	33.2	0	0	0	114.4	G249 L250 V252	P169-G249 VanDerWaalsContact CG-O 3.25Å; P169-G249 WeakPolarHBondContact CG-O 3.49Å; P169-L250 WeakPolarHBondContact CD-O 3.4Å; P169-V252 HydrophobicContact CB-CG1 4.15Å; P169-V252 HydrophobicContact CG-CG1 4.38Å
170	D	96.5	Very high	96.6	Very high	113 Å²	113	41.1 Å²	41.1	60%	0.604	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	9.5	179.8	71.9	-20.3	0	0	0	113	A168 R231	A168-D170 PolarHBondContact O-N 3.38Å; D170-R231 PolarHBondContact O-NH1 3.2Å; D170-R231 IonicContact OD1-CZ 2.71Å; D170-R231 IonicContact OD1-NH1 3.78Å; D170-R231 PolarHBondContact OD1-NH1 3.23Å; D170-R231 IonicContact OD2-NH1 2.7Å; D170-R231 PolarHBondContact OD2-NH1 2.79Å
171	H	98	Very high	96.7	Very high	16 Å²	16	41.3 Å²	41.3	7%	0.074	24%	0.236	C	C	.	.			trans	-68	136.2	178.1	-163.3	-87.5	0	0	0	110.8	L167 A168 L173 A174 E187	L167-H171 HydrophobicContact CB-CB 4.02Å; A168-H171 HydrophobicContact CB-CB 4.36Å; A168-H171 WeakPolarHBondContact O-CB 3.41Å; A168-H171 PolarHBondContact O-N 3.16Å; H171-L173 WeakPolarHBondContact ND1-CB 3.21Å; H171-L173 PolarHBondContact ND1-N 2.9Å; H171-L173 PolarHBondContact O-N 3.4Å; H171-L173 VanDerWaalsContact O-N 3.12Å; H171-A174 WeakPolarHBondContact O-CB 3.49Å; H171-A174 PolarHBondContact O-N 3.24Å; H171-E187 IonicContact CE1-OE1 2.86Å; H171-E187 PolarHBondContact CE1-OE1 3.4Å; H171-E187 VanDerWaalsContact CE1-OE1 3.26Å; H171-E187 IonicContact CE1-OE2 2.79Å; H171-E187 IonicContact NE2-OE1 3.51Å; H171-E187 IonicContact NE2-OE2 3.84Å
172	P	96.6	Very high	96.8	Very high	91 Å²	91	45.9 Å²	45.9	59%	0.591	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-52.2	-39.3	179.6	-29.5	35.4	0	0	0	114.1	A174 A175	P172-A174 PolarHBondContact O-N 3.18Å; P172-A175 PolarHBondContact O-N 3.31Å
173	L	97.5	Very high	96.9	Very high	15 Å²	15	47 Å²	47	8%	0.079	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-65.6	-19.5	176.8	-61.4	-179.1	0	0	0	114.2	L165 L167 H171 A175 K176 I179 D183 L184 E187	L165-L173 HydrophobicContact CD2-CD1 4.44Å; L167-L173 HydrophobicContact CD1-CB 3.73Å; L167-L173 HydrophobicContact CD2-CB 4.31Å; H171-L173 WeakPolarHBondContact ND1-CB 3.21Å; H171-L173 PolarHBondContact ND1-N 2.9Å; H171-L173 PolarHBondContact O-N 3.4Å; H171-L173 VanDerWaalsContact O-N 3.12Å; L173-A175 VanDerWaalsContact C-N 3.26Å; L173-A175 PolarHBondContact O-N 3.01Å; L173-K176 HydrophobicContact CD2-CD 4.47Å; L173-K176 PolarHBondContact O-N 3.39Å; L173-I179 HydrophobicContact CB-CD1 4.07Å; L173-I179 HydrophobicContact CD2-CD1 4.47Å; L173-D183 HydrophobicContact CD1-CB 4.36Å; L173-D183 HydrophobicContact CD2-CB 3.81Å; L173-L184 HydrophobicContact CD1-CD2 3.89Å; L173-E187 HydrophobicContact CD1-CG 4.3Å
174	A	97.1	Very high	97	Very high	20 Å²	20	46.8 Å²	46.8	17%	0.165	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-63.7	-35.3	177.6	0	0	0	0	0	111.6	L167 H171 P172 K176 V252 K254	L167-A174 HydrophobicContact CD1-CB 4.26Å; H171-A174 WeakPolarHBondContact O-CB 3.49Å; H171-A174 PolarHBondContact O-N 3.24Å; P172-A174 PolarHBondContact O-N 3.18Å; A174-K176 VanDerWaalsContact C-N 3.32Å; A174-K176 PolarHBondContact O-N 3.37Å; A174-V252 HydrophobicContact CB-CG2 3.73Å; A174-K254 WeakPolarHBondContact O-CE 3.5Å; A174-K254 PolarHBondContact O-NZ 2.86Å
175	A	95.7	Very high	97.1	Very high	91 Å²	91	48.4 Å²	48.4	75%	0.752	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-78	-14	178.8	0	0	0	0	0	113.6	P172 L173	P172-A175 PolarHBondContact O-N 3.31Å; L173-A175 VanDerWaalsContact C-N 3.26Å; L173-A175 PolarHBondContact O-N 3.01Å
176	K	96.3	Very high	97	Very high	78 Å²	78	53.6 Å²	53.6	34%	0.339	32%	0.316	S	S	.	.			trans	-75.8	136.5	-176.3	-158.5	176.9	-177.2	-173.7	0	111	L173 A174 R178 I179 D183 K254	L173-K176 HydrophobicContact CD2-CD 4.47Å; L173-K176 PolarHBondContact O-N 3.39Å; A174-K176 VanDerWaalsContact C-N 3.32Å; A174-K176 PolarHBondContact O-N 3.37Å; K176-R178 WeakPolarHBondContact CD-O 3.48Å; K176-R178 WeakPolarHBondContact CE-O 3.43Å; K176-R178 WeakPolarHBondContact CG-O 3.37Å; K176-I179 HydrophobicContact CB-CD1 4.15Å; K176-I179 HydrophobicContact CD-CD1 4.48Å; K176-D183 WeakPolarHBondContact CD-OD2 3.37Å; K176-D183 IonicContact NZ-OD1 3.62Å; K176-D183 PolarHBondContact NZ-OD1 3.17Å; K176-D183 IonicContact NZ-OD2 2.59Å; K176-D183 PolarHBondContact NZ-OD2 2.92Å; K176-K254 WeakPolarHBondContact O-CE 3.49Å; K176-K254 PolarHBondContact O-NZ 2.92Å
177	T	91.6	Very high	96.9	Very high	144 Å²	144	55.4 Å²	55.4	88%	0.883	33%	0.325	S	S	*	.	S	Bend	trans	-70.2	-38.3	179.8	-49.8	0	0	0	0	112.5
178	R	94	Very high	96.9	Very high	135 Å²	135	57.6 Å²	57.6	51%	0.509	34%	0.338	S	S	.	.	S	Bend	trans	-134.3	128.2	-177.3	-173.7	176.6	-173.8	-118.5	4.9	109.6	K176 E258	K176-R178 WeakPolarHBondContact CD-O 3.48Å; K176-R178 WeakPolarHBondContact CE-O 3.43Å; K176-R178 WeakPolarHBondContact CG-O 3.37Å; R178-E258 IonicContact CZ-OE1 2.84Å; R178-E258 IonicContact NE-OE1 2.65Å; R178-E258 PolarHBondContact NE-OE1 2.71Å; R178-E258 IonicContact NH2-OE1 3.17Å; R178-E258 PolarHBondContact NH2-OE1 3.44Å
179	I	97.8	Very high	96.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-92	126.6	175.2	-54.8	-58.6	0	0	0	108.9	L165 L173 K176 D183 L184 F205 K254 L256 G257	L165-I179 HydrophobicContact CD2-CD1 4.21Å; L165-I179 HydrophobicContact CD2-CG1 4.02Å; L165-I179 HydrophobicContact CD2-CG2 4.04Å; L173-I179 HydrophobicContact CB-CD1 4.07Å; L173-I179 HydrophobicContact CD2-CD1 4.47Å; K176-I179 HydrophobicContact CB-CD1 4.15Å; K176-I179 HydrophobicContact CD-CD1 4.48Å; I179-D183 WeakPolarHBondContact CA-OD2 2.95Å; I179-D183 HydrophobicContact CG2-CB 4.33Å; I179-L184 HydrophobicContact CG2-CD2 4.06Å; I179-F205 HydrophobicContact CG2-CZ 4.28Å; I179-K254 HydrophobicContact CG1-CB 4Å; I179-L256 HydrophobicContact CG2-CD2 3.98Å; I179-G257 WeakPolarHBondContact O-CA 3.48Å; I179-G257 PolarHBondContact O-N 3.01Å
180	T	97.3	Very high	96.9	Very high	33 Å²	33	54.9 Å²	54.9	20%	0.202	32%	0.32	C	S	.	.			trans	-104.6	162	171.2	76.3	0	0	0	0	110.5	E182 D183 F205	T180-E182 WeakPolarHBondContact CB-OE2 3.38Å; T180-E182 PolarHBondContact O-N 2.77Å; T180-E182 PolarHBondContact OG1-OE2 2.82Å; T180-D183 PolarHBondContact N-OD2 3.28Å; T180-D183 WeakPolarHBondContact O-CB 3.33Å; T180-D183 PolarHBondContact O-N 3.37Å; T180-F205 VanDerWaalsContact C-CZ 3.46Å
181	P	97.7	Very high	96.8	Very high	22 Å²	22	50.1 Å²	50.1	14%	0.143	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-54.8	-38.9	176.5	-28.6	38.1	0	0	0	113	D183 L184 F205 A209 V211	P181-D183 VanDerWaalsContact C-N 3.26Å; P181-D183 PolarHBondContact O-N 2.85Å; P181-L184 WeakPolarHBondContact O-CB 3.35Å; P181-L184 PolarHBondContact O-N 2.86Å; P181-F205 HydrophobicContact CB-CE1 4.23Å; P181-F205 HydrophobicContact CB-CZ 4.49Å; P181-F205 HydrophobicContact CG-CD1 4.3Å; P181-F205 HydrophobicContact CG-CD2 4.23Å; P181-F205 HydrophobicContact CG-CE1 4.03Å; P181-F205 HydrophobicContact CG-CE2 3.96Å; P181-F205 HydrophobicContact CG-CG 4.4Å; P181-F205 HydrophobicContact CG-CZ 3.87Å; P181-F205 VanDerWaalsContact CG-O 3.3Å; P181-F205 WeakPolarHBondContact CG-O 3.27Å; P181-A209 HydrophobicContact CB-CB 3.52Å; P181-A209 HydrophobicContact CG-CB 3.69Å; P181-V211 HydrophobicContact CB-CB 4.34Å; P181-V211 HydrophobicContact CB-CG2 3.94Å; P181-V211 WeakPolarHBondContact O-CG1 3.49Å
182	E	97.7	Very high	96.4	Very high	107 Å²	107	50.6 Å²	50.6	50%	0.5	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-64.4	-29.1	-177.3	-59.4	70.8	-151.5	0	0	112.7	T180 L184 A185 V211	T180-E182 WeakPolarHBondContact CB-OE2 3.38Å; T180-E182 PolarHBondContact O-N 2.77Å; T180-E182 PolarHBondContact OG1-OE2 2.82Å; E182-L184 PolarHBondContact O-N 3.44Å; E182-A185 VanDerWaalsContact O-CB 3.27Å; E182-A185 WeakPolarHBondContact O-CB 3.3Å; E182-A185 PolarHBondContact O-N 2.93Å; E182-A185 VanDerWaalsContact O-N 3.08Å; E182-V211 HydrophobicContact CG-CG2 4.4Å
183	D	97.5	Very high	96	Very high	33 Å²	33	49.9 Å²	49.9	18%	0.176	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-59.9	-26.4	174.5	-69.3	-40	0	0	0	112.6	L173 K176 I179 T180 P181	L173-D183 HydrophobicContact CD1-CB 4.36Å; L173-D183 HydrophobicContact CD2-CB 3.81Å; K176-D183 WeakPolarHBondContact CD-OD2 3.37Å; K176-D183 IonicContact NZ-OD1 3.62Å; K176-D183 PolarHBondContact NZ-OD1 3.17Å; K176-D183 IonicContact NZ-OD2 2.59Å; K176-D183 PolarHBondContact NZ-OD2 2.92Å; I179-D183 WeakPolarHBondContact CA-OD2 2.95Å; I179-D183 HydrophobicContact CG2-CB 4.33Å; T180-D183 PolarHBondContact N-OD2 3.28Å; T180-D183 WeakPolarHBondContact O-CB 3.33Å; T180-D183 PolarHBondContact O-N 3.37Å; P181-D183 VanDerWaalsContact C-N 3.26Å; P181-D183 PolarHBondContact O-N 2.85Å
184	L	97.7	Very high	95.4	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-89.7	-9.6	-178.4	-50	-168	0	0	0	111.8	L165 L173 I179 P181 E182 S186 E187 F205 L206 P213 I234 L256	L165-L184 HydrophobicContact CD1-CD1 4.4Å; L165-L184 HydrophobicContact CD1-CD2 4.15Å; L165-L184 HydrophobicContact CD2-CD2 4.03Å; L173-L184 HydrophobicContact CD1-CD2 3.89Å; I179-L184 HydrophobicContact CG2-CD2 4.06Å; P181-L184 WeakPolarHBondContact O-CB 3.35Å; P181-L184 PolarHBondContact O-N 2.86Å; E182-L184 PolarHBondContact O-N 3.44Å; L184-S186 VanDerWaalsContact C-N 3.27Å; L184-S186 PolarHBondContact O-N 2.97Å; L184-E187 WeakPolarHBondContact O-CB 3.13Å; L184-E187 PolarHBondContact O-N 3.06Å; L184-F205 HydrophobicContact CD1-CD1 4.16Å; L184-F205 HydrophobicContact CD1-CE1 3.81Å; L184-F205 HydrophobicContact CG-CE1 4.36Å; L184-L206 HydrophobicContact CB-CD2 4.14Å; L184-L206 HydrophobicContact CD1-CD2 4.07Å; L184-P213 WeakPolarHBondContact O-CB 3.46Å; L184-I234 HydrophobicContact CB-CD1 4.42Å; L184-I234 HydrophobicContact CD1-CD1 4.42Å; L184-I234 HydrophobicContact CD2-CD1 3.67Å; L184-I234 HydrophobicContact CG-CD1 4.38Å; L184-L256 HydrophobicContact CD1-CD2 4.07Å
185	A	97.3	Very high	94.8	Very high	53 Å²	53	57.2 Å²	57.2	44%	0.438	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.6	-170.4	0	0	0	0	0	113.8	E182 V211	E182-A185 VanDerWaalsContact O-CB 3.27Å; E182-A185 WeakPolarHBondContact O-CB 3.3Å; E182-A185 PolarHBondContact O-N 2.93Å; E182-A185 VanDerWaalsContact O-N 3.08Å; A185-V211 HydrophobicContact CB-CG1 3.76Å
186	S	96.1	Very high	94.3	Very high	109 Å²	109	59 Å²	59	76%	0.762	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-0.9	178.3	54.5	0	0	0	0	114.3	L184	L184-S186 VanDerWaalsContact C-N 3.27Å; L184-S186 PolarHBondContact O-N 2.97Å
187	E	97.9	Very high	93.7	Very high	38 Å²	38	58.2 Å²	58.2	18%	0.178	32%	0.317	C	S	.	.	S	Bend	trans	-88.4	160.9	-174.2	-61.9	-63.5	163.5	0	0	112.4	H171 L173 L184 P213 S214 I234	H171-E187 IonicContact CE1-OE1 2.86Å; H171-E187 PolarHBondContact CE1-OE1 3.4Å; H171-E187 VanDerWaalsContact CE1-OE1 3.26Å; H171-E187 IonicContact CE1-OE2 2.79Å; H171-E187 IonicContact NE2-OE1 3.51Å; H171-E187 IonicContact NE2-OE2 3.84Å; L173-E187 HydrophobicContact CD1-CG 4.3Å; L184-E187 WeakPolarHBondContact O-CB 3.13Å; L184-E187 PolarHBondContact O-N 3.06Å; E187-P213 WeakPolarHBondContact O-CB 3.24Å; E187-S214 PolarHBondContact O-N 2.76Å; E187-I234 HydrophobicContact CB-CD1 3.49Å; E187-I234 VanDerWaalsContact CB-CD1 3.49Å; E187-I234 HydrophobicContact CB-CG1 3.94Å; E187-I234 HydrophobicContact CG-CD1 3.84Å
188	T	98.1	Very high	93.4	Very high	47 Å²	47	56.3 Å²	56.3	29%	0.288	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	110.4	165.1	-62.6	0	0	0	0	109.1	L190 S214 K216 G233 I234	T188-L190 HydrophobicContact CG2-CD2 4.23Å; T188-S214 CarbonylContact C-O 3.55Å; T188-S214 WeakPolarHBondContact CA-O 3.02Å; T188-K216 HydrophobicContact CG2-CB 3.89Å; T188-G233 CarbonylContact O-C 3.57Å; T188-G233 WeakPolarHBondContact O-CA 3.46Å; T188-I234 PolarHBondContact O-N 3.32Å
189	L	98	Very high	93.1	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	114.7	175.7	-177.1	70.2	0	0	0	110.1	I191 V201 L206 P213 S214 L215 K216 I234 A236	L189-I191 HydrophobicContact CD2-CG2 3.97Å; L189-I191 HydrophobicContact CG-CG2 3.8Å; L189-V201 HydrophobicContact CD2-CG1 3.88Å; L189-L206 HydrophobicContact CD2-CD1 4.09Å; L189-P213 HydrophobicContact CB-CB 4.46Å; L189-P213 HydrophobicContact CB-CG 4.18Å; L189-P213 HydrophobicContact CD2-CG 4.42Å; L189-S214 PolarHBondContact N-O 3.33Å; L189-L215 HydrophobicContact CB-CD2 3.98Å; L189-L215 HydrophobicContact CD2-CD2 3.95Å; L189-L215 HydrophobicContact CG-CD2 4.35Å; L189-L215 WeakPolarHBondContact O-CA 3.09Å; L189-K216 PolarHBondContact O-N 3.34Å; L189-I234 CarbonylContact C-O 3.53Å; L189-I234 WeakPolarHBondContact CA-O 3.21Å; L189-I234 HydrophobicContact CD1-CD1 4.35Å; L189-I234 HydrophobicContact CD1-CG1 4.08Å; L189-A236 HydrophobicContact CD1-CB 4.44Å
190	L	97.9	Very high	92.8	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	124.2	173.1	-51.5	-176.2	0	0	0	109.1	T188 K216 V218 L224 M227 V228 I234 A235	T188-L190 HydrophobicContact CG2-CD2 4.23Å; L190-K216 WeakPolarHBondContact CA-O 3.47Å; L190-K216 HydrophobicContact CD2-CB 3.89Å; L190-K216 HydrophobicContact CD2-CD 4.03Å; L190-K216 HydrophobicContact CD2-CG 4.24Å; L190-V218 HydrophobicContact CB-CG2 4.48Å; L190-V218 HydrophobicContact CD2-CG2 4.47Å; L190-L224 HydrophobicContact CB-CD1 4.31Å; L190-L224 HydrophobicContact CB-CD2 4.46Å; L190-L224 HydrophobicContact CB-CG 3.95Å; L190-L224 HydrophobicContact CD1-CG 4.45Å; L190-M227 HydrophobicContact CD1-CB 3.54Å; L190-M227 HydrophobicContact CD1-CE 4.21Å; L190-M227 HydrophobicContact CD2-CE 3.85Å; L190-V228 HydrophobicContact CD1-CG2 3.8Å; L190-I234 PolarHBondContact N-O 3.47Å; L190-A235 HydrophobicContact CB-CB 4.5Å
191	I	94.8	Very high	92.6	Very high	13 Å²	13	51 Å²	51	7%	0.067	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.6	-173.2	61.3	166.2	0	0	0	111.1	L189 L199 L215 K216 S217 V218	L189-I191 HydrophobicContact CD2-CG2 3.97Å; L189-I191 HydrophobicContact CG-CG2 3.8Å; I191-L199 HydrophobicContact CB-CD1 3.97Å; I191-L199 HydrophobicContact CB-CD2 4.39Å; I191-L199 HydrophobicContact CD1-CD1 3.83Å; I191-L199 HydrophobicContact CG2-CD1 3.68Å; I191-L215 HydrophobicContact CD1-CB 4.1Å; I191-L215 HydrophobicContact CD1-CD1 4.19Å; I191-L215 HydrophobicContact CD1-CD2 4.45Å; I191-L215 HydrophobicContact CD1-CG 4.49Å; I191-L215 HydrophobicContact CG2-CD2 4.25Å; I191-K216 PolarHBondContact N-O 2.83Å; I191-S217 CarbonylContact O-C 3.48Å; I191-S217 VanDerWaalsContact O-CA 3.28Å; I191-S217 WeakPolarHBondContact O-CA 3.34Å; I191-V218 PolarHBondContact O-N 3.39Å
192	Y	90.4	Very high	92.5	Very high	27 Å²	27	51.1 Å²	51.1	11%	0.106	27%	0.272	C	S	.	.			trans	-66	154.6	164.8	-64.4	-61.8	0	0	0	110.8	H98 V194 T221 L224 L237	H98-Y192 HydrophobicContact CB-CD1 4.44Å; H98-Y192 HydrophobicContact CB-CE1 3.93Å; H98-Y192 HydrophobicContact CB-CE2 4.12Å; H98-Y192 AromaticContact CD2-CD1 3.67Å; H98-Y192 AromaticContact CD2-CD2 3.66Å; H98-Y192 AromaticContact CD2-CG 3.46Å; H98-Y192 VanDerWaalsContact CD2-CG 3.46Å; H98-Y192 AromaticContact NE2-CG 3.98Å; Y192-V194 PolarHBondContact O-N 3.02Å; Y192-T221 WeakPolarHBondContact CE1-OG1 3.27Å; Y192-T221 WeakPolarHBondContact OH-CG2 3.04Å; Y192-T221 PolarHBondContact OH-OG1 3.04Å; Y192-L224 HydrophobicContact CE1-CD1 4.38Å; Y192-L237 HydrophobicContact CE2-CD2 3.85Å
193	P	87.6	Confident	92.2	Very high	76 Å²	76	51 Å²	51	49%	0.494	27%	0.266	S	S	.	.	S	Bend	trans	-74.5	61.5	-178	33.5	-38.8	0	0	0	112.4	D219	P193-D219 HydrophobicContact CG-CB 3.96Å
194	V	84.4	Confident	92	Very high	54 Å²	54	54.3 Å²	54.3	33%	0.327	28%	0.281	S	S	.	.	S	Bend	trans	-120.9	164.9	177.7	-61.5	0	0	0	0	110.8	Y192 R198 L199	Y192-V194 PolarHBondContact O-N 3.02Å; V194-R198 HydrophobicContact CB-CB 4.36Å; V194-R198 HydrophobicContact CG2-CB 4.15Å; V194-L199 HydrophobicContact CG2-CD2 3.6Å; V194-L199 HydrophobicContact CG2-CG 4.17Å
195	Q	85.3	Confident	91.9	Very high	135 Å²	135	55.2 Å²	55.2	63%	0.631	29%	0.285	S	S	*	.			trans	-61.1	144.2	173.9	-61.8	178.9	17.4	0	0	110.4	S197 R198	Q195-S197 PolarHBondContact O-N 2.65Å; Q195-S197 VanDerWaalsContact O-N 3.09Å; Q195-R198 WeakPolarHBondContact O-CB 3.2Å; Q195-R198 PolarHBondContact O-N 2.86Å
196	R	85	Confident	91.9	Very high	129 Å²	129	52.7 Å²	52.7	49%	0.487	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-55.1	-33.1	-179.9	-62	-177.4	-171.8	-175.3	-3.2	112.8	R198 L199 W202 L215	R196-R198 PolarHBondContact O-N 2.78Å; R196-L199 WeakPolarHBondContact O-CB 3.43Å; R196-L199 PolarHBondContact O-N 2.67Å; R196-W202 HydrophobicContact CB-CD2 4.02Å; R196-W202 HydrophobicContact CB-CG 3.93Å; R196-W202 HydrophobicContact CG-CD2 4.5Å; R196-W202 WeakPolarHBondContact O-CB 3.36Å; R196-L215 HydrophobicContact CG-CD1 3.85Å
197	S	84	Confident	91.8	Very high	60 Å²	60	52.9 Å²	52.9	42%	0.42	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-66.4	-7.4	175.1	53.5	0	0	0	0	114.6	Q195 R203	Q195-S197 PolarHBondContact O-N 2.65Å; Q195-S197 VanDerWaalsContact O-N 3.09Å; S197-R203 WeakPolarHBondContact O-CD 3.32Å; S197-R203 PolarHBondContact O-NH1 3.33Å
198	R	83.9	Confident	91.6	Very high	105 Å²	105	55.8 Å²	55.8	40%	0.396	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-99.3	-3	171.3	-63.3	-163.6	-178.6	-162.1	5	113.1	D146 V194 Q195 R196	D146-R198 WeakPolarHBondContact OD2-CD 3.37Å; D146-R198 IonicContact OD2-CZ 2.74Å; D146-R198 IonicContact OD2-NE 2.66Å; D146-R198 IonicContact OD2-NH1 3.66Å; D146-R198 PolarHBondContact OD2-NH1 3.04Å; V194-R198 HydrophobicContact CB-CB 4.36Å; V194-R198 HydrophobicContact CG2-CB 4.15Å; Q195-R198 WeakPolarHBondContact O-CB 3.2Å; Q195-R198 PolarHBondContact O-N 2.86Å; R196-R198 PolarHBondContact O-N 2.78Å
199	L	88.5	Confident	91.5	Very high	20 Å²	20	55.6 Å²	55.6	11%	0.105	28%	0.278	C	S	.	.			trans	-93.6	117.6	178.9	-57	174.6	0	0	0	109.7	I191 V194 R196 V201 W202 R203	I191-L199 HydrophobicContact CB-CD1 3.97Å; I191-L199 HydrophobicContact CB-CD2 4.39Å; I191-L199 HydrophobicContact CD1-CD1 3.83Å; I191-L199 HydrophobicContact CG2-CD1 3.68Å; V194-L199 HydrophobicContact CG2-CD2 3.6Å; V194-L199 HydrophobicContact CG2-CG 4.17Å; R196-L199 WeakPolarHBondContact O-CB 3.43Å; R196-L199 PolarHBondContact O-N 2.67Å; L199-V201 VanDerWaalsContact C-N 3.3Å; L199-V201 HydrophobicContact CB-CG1 4.32Å; L199-V201 PolarHBondContact O-N 2.95Å; L199-W202 HydrophobicContact CB-CB 3.84Å; L199-W202 WeakPolarHBondContact O-CA 3.34Å; L199-W202 WeakPolarHBondContact O-CB 3.41Å; L199-W202 PolarHBondContact O-N 3.36Å; L199-R203 PolarHBondContact O-N 3.36Å
200	D	91.2	Very high	91.4	Very high	29 Å²	29	58.7 Å²	58.7	16%	0.155	31%	0.311	C	S	.	.	H	α-helix	trans	-59.2	-42	179.8	-65.8	-34.3	0	0	0	112.1	V163 W202 R203 H204 L260 S262	V163-D200 HydrophobicContact CG2-CB 4.17Å; D200-W202 PolarHBondContact O-N 2.05Å; D200-R203 PolarHBondContact O-N 2.93Å; D200-H204 WeakPolarHBondContact O-CB 3.39Å; D200-H204 PolarHBondContact O-N 2.51Å; D200-L260 HydrophobicContact CB-CD2 4.36Å; D200-S262 VanDerWaalsContact OD2-CB 3.3Å; D200-S262 WeakPolarHBondContact OD2-CB 3.34Å; D200-S262 PolarHBondContact OD2-OG 2.96Å
201	V	94.6	Very high	91.4	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.042	31%	0.314	C	S	.	.	I	π-helix	trans	-59.5	-34.2	175.2	65.5	0	0	0	0	112	L189 L199 F205 L206 A236 L256 L260	L189-V201 HydrophobicContact CD2-CG1 3.88Å; L199-V201 VanDerWaalsContact C-N 3.3Å; L199-V201 HydrophobicContact CB-CG1 4.32Å; L199-V201 PolarHBondContact O-N 2.95Å; V201-F205 HydrophobicContact CG2-CB 4.42Å; V201-F205 HydrophobicContact CG2-CD1 4.33Å; V201-F205 WeakPolarHBondContact O-CB 3.41Å; V201-F205 PolarHBondContact O-N 3.09Å; V201-L206 HydrophobicContact CG2-CD1 4.16Å; V201-L206 HydrophobicContact CG2-CG 4.31Å; V201-L206 WeakPolarHBondContact O-CG 3.46Å; V201-L206 PolarHBondContact O-N 2.83Å; V201-A236 HydrophobicContact CB-CB 3.61Å; V201-A236 HydrophobicContact CG1-CB 3.74Å; V201-A236 HydrophobicContact CG2-CB 3.8Å; V201-L256 HydrophobicContact CG2-CD1 4.14Å; V201-L260 HydrophobicContact CB-CD2 4.09Å
202	W	93.8	Very high	91.4	Very high	25 Å²	25	62.3 Å²	62.3	10%	0.095	34%	0.336	C	S	.	.	I	π-helix	trans	-71.7	-54.2	176.3	-174.9	-92.7	0	0	0	110.6	R196 L199 D200 L206 Q207 S212 L215	R196-W202 HydrophobicContact CB-CD2 4.02Å; R196-W202 HydrophobicContact CB-CG 3.93Å; R196-W202 HydrophobicContact CG-CD2 4.5Å; R196-W202 WeakPolarHBondContact O-CB 3.36Å; L199-W202 HydrophobicContact CB-CB 3.84Å; L199-W202 WeakPolarHBondContact O-CA 3.34Å; L199-W202 WeakPolarHBondContact O-CB 3.41Å; L199-W202 PolarHBondContact O-N 3.36Å; D200-W202 PolarHBondContact O-N 2.05Å; W202-L206 HydrophobicContact CE3-CB 4.42Å; W202-L206 HydrophobicContact CE3-CD1 4.04Å; W202-Q207 WeakPolarHBondContact O-CB 3.47Å; W202-Q207 PolarHBondContact O-N 3.38Å; W202-S212 WeakPolarHBondContact CH2-OG 3.48Å; W202-L215 HydrophobicContact CZ3-CD1 4.46Å
203	R	91.5	Very high	91.7	Very high	103 Å²	103	61.5 Å²	61.5	39%	0.389	33%	0.334	S	S	.	.	I	π-helix	trans	-65.5	-41.2	-173.5	-83.5	174.7	48.6	179	1.1	114.4	S197 L199 D200 P208	S197-R203 WeakPolarHBondContact O-CD 3.32Å; S197-R203 PolarHBondContact O-NH1 3.33Å; L199-R203 PolarHBondContact O-N 3.36Å; D200-R203 PolarHBondContact O-N 2.93Å; R203-P208 WeakPolarHBondContact O-CD 3.35Å; R203-P208 WeakPolarHBondContact O-CG 3.4Å
204	H	93.1	Very high	92.2	Very high	103 Å²	103	61.5 Å²	61.5	48%	0.477	34%	0.336	S	S	.	.	I	π-helix	trans	-109.2	-14.1	-166	-63.6	-65.1	0	0	0	113.2	D200 L260	D200-H204 WeakPolarHBondContact O-CB 3.39Å; D200-H204 PolarHBondContact O-N 2.51Å; H204-L260 HydrophobicContact CB-CD1 3.46Å; H204-L260 VanDerWaalsContact CB-CD1 3.46Å
205	F	96.1	Very high	92.7	Very high	20 Å²	20	61.2 Å²	61.2	9%	0.088	33%	0.333	C	S	.	.	I	π-helix	trans	-121.4	-50.4	-177.4	-169.9	-107.5	0	0	0	113.4	I179 T180 P181 L184 V201 L256 L260	I179-F205 HydrophobicContact CG2-CZ 4.28Å; T180-F205 VanDerWaalsContact C-CZ 3.46Å; P181-F205 HydrophobicContact CB-CE1 4.23Å; P181-F205 HydrophobicContact CB-CZ 4.49Å; P181-F205 HydrophobicContact CG-CD1 4.3Å; P181-F205 HydrophobicContact CG-CD2 4.23Å; P181-F205 HydrophobicContact CG-CE1 4.03Å; P181-F205 HydrophobicContact CG-CE2 3.96Å; P181-F205 HydrophobicContact CG-CG 4.4Å; P181-F205 HydrophobicContact CG-CZ 3.87Å; P181-F205 VanDerWaalsContact CG-O 3.3Å; P181-F205 WeakPolarHBondContact CG-O 3.27Å; L184-F205 HydrophobicContact CD1-CD1 4.16Å; L184-F205 HydrophobicContact CD1-CE1 3.81Å; L184-F205 HydrophobicContact CG-CE1 4.36Å; V201-F205 HydrophobicContact CG2-CB 4.42Å; V201-F205 HydrophobicContact CG2-CD1 4.33Å; V201-F205 WeakPolarHBondContact O-CB 3.41Å; V201-F205 PolarHBondContact O-N 3.09Å; F205-L256 HydrophobicContact CD1-CD2 3.89Å; F205-L256 HydrophobicContact CD2-CB 4.09Å; F205-L256 HydrophobicContact CE1-CB 4.38Å; F205-L256 HydrophobicContact CE1-CD2 3.49Å; F205-L256 VanDerWaalsContact CE1-CD2 3.49Å; F205-L256 HydrophobicContact CE1-CG 4.49Å; F205-L256 HydrophobicContact CE2-CB 3.95Å; F205-L256 HydrophobicContact CG-CB 4.37Å; F205-L256 HydrophobicContact CZ-CB 4.08Å; F205-L256 HydrophobicContact CZ-CD2 3.82Å; F205-L260 HydrophobicContact CB-CD2 4.47Å
206	L	96.9	Very high	93.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.323	C	S	.	.	I	π-helix	trans	-85.3	-51.9	-174.5	-66.1	171.5	0	0	0	113.7	L184 L189 V201 W202 A209 G210 V211 P213	L184-L206 HydrophobicContact CB-CD2 4.14Å; L184-L206 HydrophobicContact CD1-CD2 4.07Å; L189-L206 HydrophobicContact CD2-CD1 4.09Å; V201-L206 HydrophobicContact CG2-CD1 4.16Å; V201-L206 HydrophobicContact CG2-CG 4.31Å; V201-L206 WeakPolarHBondContact O-CG 3.46Å; V201-L206 PolarHBondContact O-N 2.83Å; W202-L206 HydrophobicContact CE3-CB 4.42Å; W202-L206 HydrophobicContact CE3-CD1 4.04Å; L206-A209 PolarHBondContact O-N 2.98Å; L206-A209 VanDerWaalsContact O-N 3.15Å; L206-G210 PolarHBondContact O-N 3.23Å; L206-V211 HydrophobicContact CD2-CB 4.18Å; L206-V211 HydrophobicContact CD2-CG1 4.04Å; L206-V211 PolarHBondContact O-N 3.3Å; L206-V211 VanDerWaalsContact O-N 3.12Å; L206-P213 HydrophobicContact CD1-CG 3.79Å
207	Q	94.1	Very high	93.7	Very high	114 Å²	114	57 Å²	57	53%	0.533	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-60.8	-43.5	-175.4	-178.5	-179.5	9.2	0	0	113.1	W202 A209 G210	W202-Q207 WeakPolarHBondContact O-CB 3.47Å; W202-Q207 PolarHBondContact O-N 3.38Å; Q207-A209 PolarHBondContact O-N 2.93Å; Q207-G210 PolarHBondContact O-N 3.46Å; Q207-G210 VanDerWaalsContact O-N 3.07Å
208	P	94.9	Very high	94.2	Very high	98 Å²	98	54.5 Å²	54.5	64%	0.636	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-61.5	-26.6	177.3	-24.2	36.3	0	0	0	113.8	R203	R203-P208 WeakPolarHBondContact O-CD 3.35Å; R203-P208 WeakPolarHBondContact O-CG 3.4Å
209	A	96.1	Very high	94.5	Very high	44 Å²	44	55.5 Å²	55.5	36%	0.364	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-92.4	-2.4	177.6	0	0	0	0	0	113.6	P181 L206 Q207 V211	P181-A209 HydrophobicContact CB-CB 3.52Å; P181-A209 HydrophobicContact CG-CB 3.69Å; L206-A209 PolarHBondContact O-N 2.98Å; L206-A209 VanDerWaalsContact O-N 3.15Å; Q207-A209 PolarHBondContact O-N 2.93Å; A209-V211 HydrophobicContact CB-CG2 4.16Å; A209-V211 PolarHBondContact O-N 3.29Å
210	G	96.5	Very high	94.6	Very high	67 Å²	67	58.2 Å²	58.2	69%	0.691	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	18.5	-176.6	0	0	0	0	0	114.3	L206 Q207	L206-G210 PolarHBondContact O-N 3.23Å; Q207-G210 PolarHBondContact O-N 3.46Å; Q207-G210 VanDerWaalsContact O-N 3.07Å
211	V	97	Very high	94.6	Very high	14 Å²	14	58.3 Å²	58.3	9%	0.085	34%	0.337	C	S	.	.			trans	-91.5	137.9	-179.9	-179.7	0	0	0	0	110.6	P181 E182 A185 L206 A209	P181-V211 HydrophobicContact CB-CB 4.34Å; P181-V211 HydrophobicContact CB-CG2 3.94Å; P181-V211 WeakPolarHBondContact O-CG1 3.49Å; E182-V211 HydrophobicContact CG-CG2 4.4Å; A185-V211 HydrophobicContact CB-CG1 3.76Å; L206-V211 HydrophobicContact CD2-CB 4.18Å; L206-V211 HydrophobicContact CD2-CG1 4.04Å; L206-V211 PolarHBondContact O-N 3.3Å; L206-V211 VanDerWaalsContact O-N 3.12Å; A209-V211 HydrophobicContact CB-CG2 4.16Å; A209-V211 PolarHBondContact O-N 3.29Å
212	S	95.3	Very high	94.6	Very high	78 Å²	78	62.7 Å²	62.7	55%	0.545	36%	0.36	S	S	.	.			trans	-138.2	88.7	-178.2	-71.1	0	0	0	0	111.4	W202	W202-S212 WeakPolarHBondContact CH2-OG 3.48Å
213	P	96.4	Very high	94.7	Very high	10 Å²	10	65.8 Å²	65.8	7%	0.065	38%	0.378	C	S	.	.			trans	-64.7	167.9	174.1	27	-35	0	0	0	112.6	L184 E187 L189 L206 L215	L184-P213 WeakPolarHBondContact O-CB 3.46Å; E187-P213 WeakPolarHBondContact O-CB 3.24Å; L189-P213 HydrophobicContact CB-CB 4.46Å; L189-P213 HydrophobicContact CB-CG 4.18Å; L189-P213 HydrophobicContact CD2-CG 4.42Å; L206-P213 HydrophobicContact CD1-CG 3.79Å; P213-L215 HydrophobicContact CG-CD2 4.38Å
214	S	96.9	Very high	94.9	Very high	76 Å²	76	60.9 Å²	60.9	53%	0.531	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	137.4	165.4	-68	0	0	0	0	109.6	E187 T188 L189	E187-S214 PolarHBondContact O-N 2.76Å; T188-S214 CarbonylContact C-O 3.55Å; T188-S214 WeakPolarHBondContact CA-O 3.02Å; L189-S214 PolarHBondContact N-O 3.33Å
215	L	96.4	Very high	95.1	Very high	48 Å²	48	56.1 Å²	56.1	25%	0.251	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.5	179.7	-59.9	177.7	0	0	0	110.2	L189 I191 R196 W202 P213	L189-L215 HydrophobicContact CB-CD2 3.98Å; L189-L215 HydrophobicContact CD2-CD2 3.95Å; L189-L215 HydrophobicContact CG-CD2 4.35Å; L189-L215 WeakPolarHBondContact O-CA 3.09Å; I191-L215 HydrophobicContact CD1-CB 4.1Å; I191-L215 HydrophobicContact CD1-CD1 4.19Å; I191-L215 HydrophobicContact CD1-CD2 4.45Å; I191-L215 HydrophobicContact CD1-CG 4.49Å; I191-L215 HydrophobicContact CG2-CD2 4.25Å; R196-L215 HydrophobicContact CG-CD1 3.85Å; W202-L215 HydrophobicContact CZ3-CD1 4.46Å; P213-L215 HydrophobicContact CG-CD2 4.38Å
216	K	96.6	Very high	95.2	Very high	98 Å²	98	59.4 Å²	59.4	43%	0.426	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	117.7	173.7	-176.7	174.5	-177.2	179.6	0	110.1	T188 L189 L190 I191 M227	T188-K216 HydrophobicContact CG2-CB 3.89Å; L189-K216 PolarHBondContact O-N 3.34Å; L190-K216 WeakPolarHBondContact CA-O 3.47Å; L190-K216 HydrophobicContact CD2-CB 3.89Å; L190-K216 HydrophobicContact CD2-CD 4.03Å; L190-K216 HydrophobicContact CD2-CG 4.24Å; I191-K216 PolarHBondContact N-O 2.83Å; K216-M227 HydrophobicContact CD-CE 3.81Å
217	S	95.1	Very high	95.3	Very high	77 Å²	77	60.2 Å²	60.2	54%	0.538	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	133	178.6	-57.4	0	0	0	0	111.3	I191	I191-S217 CarbonylContact O-C 3.48Å; I191-S217 VanDerWaalsContact O-CA 3.28Å; I191-S217 WeakPolarHBondContact O-CA 3.34Å
218	V	94.3	Very high	95.5	Very high	8 Å²	8	54.8 Å²	54.8	5%	0.048	33%	0.332	C	S	.	.			trans	-136.4	118.5	173.5	-171.3	0	0	0	0	107.4	L190 I191 L223 L224 M227	L190-V218 HydrophobicContact CB-CG2 4.48Å; L190-V218 HydrophobicContact CD2-CG2 4.47Å; I191-V218 PolarHBondContact O-N 3.39Å; V218-L223 HydrophobicContact CG1-CB 4.11Å; V218-L223 HydrophobicContact CG1-CD2 3.99Å; V218-L223 HydrophobicContact CG1-CG 3.95Å; V218-L224 HydrophobicContact CB-CB 4.07Å; V218-L224 HydrophobicContact CB-CD1 4.38Å; V218-L224 HydrophobicContact CB-CG 4.42Å; V218-L224 HydrophobicContact CG1-CB 3.86Å; V218-M227 HydrophobicContact CG1-SD 4.34Å; V218-M227 HydrophobicContact CG2-CE 4.12Å; V218-M227 HydrophobicContact CG2-SD 3.83Å
219	D	88.7	Confident	95.6	Very high	126 Å²	126	51.5 Å²	51.5	67%	0.674	31%	0.313	S	S	*	.	S	Bend	trans	-88.4	-3	-174.5	63.9	-11	0	0	0	113.8	P193	P193-D219 HydrophobicContact CG-CB 3.96Å
220	N	90.6	Very high	95.7	Very high	78 Å²	78	52.2 Å²	52.2	42%	0.417	32%	0.318	S	S	.	.			trans	-120.8	119.6	179.3	-177.1	-69.2	0	0	0	110.9	L222 L223 L224	N220-L222 PolarHBondContact O-N 3.26Å; N220-L222 WeakPolarHBondContact OD1-CA 3.28Å; N220-L222 WeakPolarHBondContact OD1-CB 3.23Å; N220-L222 PolarHBondContact OD1-N 3.22Å; N220-L223 HydrophobicContact CB-CB 3.98Å; N220-L223 PolarHBondContact O-N 2.79Å; N220-L223 PolarHBondContact OD1-N 2.93Å; N220-L224 WeakPolarHBondContact O-CB 3.46Å; N220-L224 PolarHBondContact O-N 3.38Å
221	T	91.7	Very high	95.7	Very high	31 Å²	31	54.5 Å²	54.5	19%	0.19	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-42	-178.5	-57.4	0	0	0	0	113	Y192 L224 I225 V241	Y192-T221 WeakPolarHBondContact CE1-OG1 3.27Å; Y192-T221 WeakPolarHBondContact OH-CG2 3.04Å; Y192-T221 PolarHBondContact OH-OG1 3.04Å; T221-L224 PolarHBondContact O-N 3.39Å; T221-I225 HydrophobicContact CG2-CD1 3.97Å; T221-I225 VanDerWaalsContact O-CG1 3.3Å; T221-I225 WeakPolarHBondContact O-CG1 3.3Å; T221-I225 PolarHBondContact O-N 2.77Å; T221-V241 HydrophobicContact CG2-CG1 3.44Å; T221-V241 VanDerWaalsContact CG2-CG1 3.44Å
222	L	93.9	Very high	95.8	Very high	98 Å²	98	59 Å²	59	51%	0.513	33%	0.328	S	S	.	.	H	α-helix	trans	-65.5	-45.8	179.9	177.8	64.4	0	0	0	110.8	N220 L224 I225 Q226 F245	N220-L222 PolarHBondContact O-N 3.26Å; N220-L222 WeakPolarHBondContact OD1-CA 3.28Å; N220-L222 WeakPolarHBondContact OD1-CB 3.23Å; N220-L222 PolarHBondContact OD1-N 3.22Å; L222-L224 VanDerWaalsContact C-N 3.33Å; L222-L224 PolarHBondContact O-N 3.44Å; L222-I225 PolarHBondContact O-N 2.94Å; L222-Q226 HydrophobicContact CD1-CG 4.44Å; L222-Q226 VanDerWaalsContact O-CG 3.26Å; L222-Q226 WeakPolarHBondContact O-CG 3.5Å; L222-Q226 PolarHBondContact O-N 3.48Å; L222-F245 HydrophobicContact CD1-CE1 3.68Å; L222-F245 HydrophobicContact CD1-CZ 3.61Å
223	L	96.2	Very high	95.9	Very high	90 Å²	90	55.7 Å²	55.7	47%	0.471	31%	0.306	S	S	.	.	H	α-helix	trans	-60.6	-43.1	175.7	178.9	59.5	0	0	0	111.4	V218 N220 I225 Q226 M227	V218-L223 HydrophobicContact CG1-CB 4.11Å; V218-L223 HydrophobicContact CG1-CD2 3.99Å; V218-L223 HydrophobicContact CG1-CG 3.95Å; N220-L223 HydrophobicContact CB-CB 3.98Å; N220-L223 PolarHBondContact O-N 2.79Å; N220-L223 PolarHBondContact OD1-N 2.93Å; L223-I225 PolarHBondContact O-N 3.02Å; L223-Q226 PolarHBondContact O-N 2.93Å; L223-M227 HydrophobicContact CD1-CG 4.16Å; L223-M227 HydrophobicContact CD1-SD 4.25Å; L223-M227 HydrophobicContact CG-CG 4.4Å; L223-M227 HydrophobicContact CG-SD 4Å; L223-M227 WeakPolarHBondContact O-CB 3.26Å; L223-M227 VanDerWaalsContact O-CG 3.26Å; L223-M227 WeakPolarHBondContact O-CG 3.25Å; L223-M227 PolarHBondContact O-N 3.36Å
224	L	96.8	Very high	96	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-57.1	-48.9	177.2	-176.7	162	0	0	0	110.8	L190 Y192 V218 N220 T221 L222 Q226 M227 V228 A235 L237	L190-L224 HydrophobicContact CB-CD1 4.31Å; L190-L224 HydrophobicContact CB-CD2 4.46Å; L190-L224 HydrophobicContact CB-CG 3.95Å; L190-L224 HydrophobicContact CD1-CG 4.45Å; Y192-L224 HydrophobicContact CE1-CD1 4.38Å; V218-L224 HydrophobicContact CB-CB 4.07Å; V218-L224 HydrophobicContact CB-CD1 4.38Å; V218-L224 HydrophobicContact CB-CG 4.42Å; V218-L224 HydrophobicContact CG1-CB 3.86Å; N220-L224 WeakPolarHBondContact O-CB 3.46Å; N220-L224 PolarHBondContact O-N 3.38Å; T221-L224 PolarHBondContact O-N 3.39Å; L222-L224 VanDerWaalsContact C-N 3.33Å; L222-L224 PolarHBondContact O-N 3.44Å; L224-Q226 PolarHBondContact O-N 2.98Å; L224-M227 WeakPolarHBondContact O-CB 3.48Å; L224-M227 PolarHBondContact O-N 2.96Å; L224-V228 HydrophobicContact CD2-CG2 4.3Å; L224-V228 WeakPolarHBondContact O-CG2 3.46Å; L224-V228 PolarHBondContact O-N 3.26Å; L224-A235 HydrophobicContact CD2-CB 3.54Å; L224-L237 HydrophobicContact CD2-CD1 3.81Å
225	I	97.1	Very high	96.1	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-64.6	-41.4	179.1	-64.2	166.6	0	0	0	111.3	T221 L222 L223 M227 V228 A229 L237 V241 V242 F245 V251	T221-I225 HydrophobicContact CG2-CD1 3.97Å; T221-I225 VanDerWaalsContact O-CG1 3.3Å; T221-I225 WeakPolarHBondContact O-CG1 3.3Å; T221-I225 PolarHBondContact O-N 2.77Å; L222-I225 PolarHBondContact O-N 2.94Å; L223-I225 PolarHBondContact O-N 3.02Å; I225-M227 VanDerWaalsContact C-N 3.32Å; I225-M227 PolarHBondContact O-N 3.45Å; I225-V228 WeakPolarHBondContact O-CB 3.47Å; I225-V228 PolarHBondContact O-N 3.3Å; I225-A229 PolarHBondContact O-N 3.24Å; I225-L237 HydrophobicContact CG1-CD1 4.39Å; I225-V241 HydrophobicContact CD1-CG1 4.25Å; I225-V242 HydrophobicContact CD1-CG1 4.01Å; I225-V242 HydrophobicContact CG1-CG1 4.09Å; I225-F245 HydrophobicContact CD1-CD2 3.73Å; I225-F245 HydrophobicContact CD1-CE2 3.49Å; I225-F245 VanDerWaalsContact CD1-CE2 3.49Å; I225-F245 HydrophobicContact CD1-CG 4.44Å; I225-F245 HydrophobicContact CD1-CZ 4.05Å; I225-F245 HydrophobicContact CG2-CB 4.04Å; I225-F245 HydrophobicContact CG2-CD1 3.74Å; I225-F245 HydrophobicContact CG2-CD2 4.06Å; I225-F245 HydrophobicContact CG2-CE1 4.17Å; I225-F245 HydrophobicContact CG2-CE2 4.45Å; I225-F245 HydrophobicContact CG2-CG 3.68Å; I225-V251 HydrophobicContact CG2-CG1 4.14Å
226	Q	97.5	Very high	96.1	Very high	90 Å²	90	50.2 Å²	50.2	42%	0.421	27%	0.273	S	S	.	.	H	α-helix	trans	-62.8	-38.2	176	-70.2	-67.1	-34.3	0	0	112.1	L222 L223 L224 A229 A230	L222-Q226 HydrophobicContact CD1-CG 4.44Å; L222-Q226 VanDerWaalsContact O-CG 3.26Å; L222-Q226 WeakPolarHBondContact O-CG 3.5Å; L222-Q226 PolarHBondContact O-N 3.48Å; L223-Q226 PolarHBondContact O-N 2.93Å; L224-Q226 PolarHBondContact O-N 2.98Å; Q226-A229 PolarHBondContact O-N 2.97Å; Q226-A230 WeakPolarHBondContact O-CB 3.37Å; Q226-A230 PolarHBondContact O-N 3.29Å
227	M	98.4	Very high	96.1	Very high	16 Å²	16	45.9 Å²	45.9	8%	0.079	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-36.9	174.8	-73.9	176.5	61.9	0	0	112.3	L190 K216 V218 L223 L224 I225 A230 R231 M232	L190-M227 HydrophobicContact CD1-CB 3.54Å; L190-M227 HydrophobicContact CD1-CE 4.21Å; L190-M227 HydrophobicContact CD2-CE 3.85Å; K216-M227 HydrophobicContact CD-CE 3.81Å; V218-M227 HydrophobicContact CG1-SD 4.34Å; V218-M227 HydrophobicContact CG2-CE 4.12Å; V218-M227 HydrophobicContact CG2-SD 3.83Å; L223-M227 HydrophobicContact CD1-CG 4.16Å; L223-M227 HydrophobicContact CD1-SD 4.25Å; L223-M227 HydrophobicContact CG-CG 4.4Å; L223-M227 HydrophobicContact CG-SD 4Å; L223-M227 WeakPolarHBondContact O-CB 3.26Å; L223-M227 VanDerWaalsContact O-CG 3.26Å; L223-M227 WeakPolarHBondContact O-CG 3.25Å; L223-M227 PolarHBondContact O-N 3.36Å; L224-M227 WeakPolarHBondContact O-CB 3.48Å; L224-M227 PolarHBondContact O-N 2.96Å; I225-M227 VanDerWaalsContact C-N 3.32Å; I225-M227 PolarHBondContact O-N 3.45Å; M227-A230 CarbonylContact O-C 3.59Å; M227-A230 PolarHBondContact O-N 2.81Å; M227-R231 PolarHBondContact O-N 2.95Å; M227-M232 HydrophobicContact CB-CB 4.21Å; M227-M232 HydrophobicContact CB-SD 4.44Å; M227-M232 HydrophobicContact CE-CB 4.32Å; M227-M232 HydrophobicContact CE-SD 4.45Å; M227-M232 HydrophobicContact CG-SD 4.06Å; M227-M232 WeakPolarHBondContact O-CB 3.41Å; M227-M232 PolarHBondContact O-N 2.79Å
228	V	98.6	Very high	96	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-49.9	171.2	176.1	0	0	0	0	110.4	V166 L190 L224 I225 A230 R231 A235 V251	V166-V228 HydrophobicContact CB-CG1 4.48Å; V166-V228 HydrophobicContact CG1-CG1 4.03Å; L190-V228 HydrophobicContact CD1-CG2 3.8Å; L224-V228 HydrophobicContact CD2-CG2 4.3Å; L224-V228 WeakPolarHBondContact O-CG2 3.46Å; L224-V228 PolarHBondContact O-N 3.26Å; I225-V228 WeakPolarHBondContact O-CB 3.47Å; I225-V228 PolarHBondContact O-N 3.3Å; V228-A230 PolarHBondContact O-N 3.24Å; V228-R231 PolarHBondContact O-N 3.29Å; V228-A235 HydrophobicContact CG2-CB 3.84Å; V228-V251 HydrophobicContact CB-CG1 4.45Å; V228-V251 HydrophobicContact CG1-CG1 4.12Å
229	A	98.2	Very high	96.1	Very high	29 Å²	29	42.9 Å²	42.9	24%	0.24	23%	0.233	C	C	.	.	H	α-helix	trans	-57.8	-34.5	178.1	0	0	0	0	0	112.3	I225 Q226 R231 L250 V251	I225-A229 PolarHBondContact O-N 3.24Å; Q226-A229 PolarHBondContact O-N 2.97Å; A229-R231 VanDerWaalsContact C-N 3.27Å; A229-R231 PolarHBondContact O-N 3.49Å; A229-L250 WeakPolarHBondContact CB-O 3.41Å; A229-V251 HydrophobicContact CB-CG1 4.18Å
230	A	97.8	Very high	96.3	Very high	58 Å²	58	37.5 Å²	37.5	48%	0.479	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	11.7	176.1	0	0	0	0	0	114.7	Q226 M227 V228 M232	Q226-A230 WeakPolarHBondContact O-CB 3.37Å; Q226-A230 PolarHBondContact O-N 3.29Å; M227-A230 CarbonylContact O-C 3.59Å; M227-A230 PolarHBondContact O-N 2.81Å; V228-A230 PolarHBondContact O-N 3.24Å; A230-M232 HydrophobicContact CB-CE 4.01Å; A230-M232 HydrophobicContact CB-CG 4.2Å; A230-M232 PolarHBondContact O-N 3.45Å
231	R	97.2	Very high	96.4	Very high	116 Å²	116	33.8 Å²	33.8	44%	0.438	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	27.9	-179.9	-55.2	-179.6	62.2	100.6	2	114.8	A168 D170 M227 V228 A229 G233	A168-R231 HydrophobicContact CB-CG 3.7Å; D170-R231 PolarHBondContact O-NH1 3.2Å; D170-R231 IonicContact OD1-CZ 2.71Å; D170-R231 IonicContact OD1-NH1 3.78Å; D170-R231 PolarHBondContact OD1-NH1 3.23Å; D170-R231 IonicContact OD2-NH1 2.7Å; D170-R231 PolarHBondContact OD2-NH1 2.79Å; M227-R231 PolarHBondContact O-N 2.95Å; V228-R231 PolarHBondContact O-N 3.29Å; A229-R231 VanDerWaalsContact C-N 3.27Å; A229-R231 PolarHBondContact O-N 3.49Å; R231-G233 PolarHBondContact O-N 2.98Å
232	M	97.7	Very high	96.6	Very high	108 Å²	108	32.3 Å²	32.3	53%	0.532	17%	0.174	S	C	.	.	S	Bend	trans	-83.9	-0.9	176.1	-58.4	-173.9	-175.2	0	0	113	M227 A230	M227-M232 HydrophobicContact CB-CB 4.21Å; M227-M232 HydrophobicContact CB-SD 4.44Å; M227-M232 HydrophobicContact CE-CB 4.32Å; M227-M232 HydrophobicContact CE-SD 4.45Å; M227-M232 HydrophobicContact CG-SD 4.06Å; M227-M232 WeakPolarHBondContact O-CB 3.41Å; M227-M232 PolarHBondContact O-N 2.79Å; A230-M232 HydrophobicContact CB-CE 4.01Å; A230-M232 HydrophobicContact CB-CG 4.2Å; A230-M232 PolarHBondContact O-N 3.45Å
233	G	98.1	Very high	96.6	Very high	8 Å²	8	29.6 Å²	29.6	8%	0.082	16%	0.159	C	C	.	.			trans	160.2	-174.5	-179.8	0	0	0	0	0	111.2	T188 R231	T188-G233 CarbonylContact O-C 3.57Å; T188-G233 WeakPolarHBondContact O-CA 3.46Å; R231-G233 PolarHBondContact O-N 2.98Å
234	I	98.5	Very high	96.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	162.9	176.9	59.9	168.5	0	0	0	108.8	L165 L167 L184 E187 T188 L189 L190	L165-I234 HydrophobicContact CD1-CB 4.23Å; L165-I234 HydrophobicContact CD1-CD1 3.82Å; L165-I234 HydrophobicContact CD1-CG1 4.41Å; L167-I234 HydrophobicContact CD2-CB 4.03Å; L167-I234 HydrophobicContact CD2-CG2 3.35Å; L184-I234 HydrophobicContact CB-CD1 4.42Å; L184-I234 HydrophobicContact CD1-CD1 4.42Å; L184-I234 HydrophobicContact CD2-CD1 3.67Å; L184-I234 HydrophobicContact CG-CD1 4.38Å; E187-I234 HydrophobicContact CB-CD1 3.49Å; E187-I234 VanDerWaalsContact CB-CD1 3.49Å; E187-I234 HydrophobicContact CB-CG1 3.94Å; E187-I234 HydrophobicContact CG-CD1 3.84Å; T188-I234 PolarHBondContact O-N 3.32Å; L189-I234 CarbonylContact C-O 3.53Å; L189-I234 WeakPolarHBondContact CA-O 3.21Å; L189-I234 HydrophobicContact CD1-CD1 4.35Å; L189-I234 HydrophobicContact CD1-CG1 4.08Å; L190-I234 PolarHBondContact N-O 3.47Å
235	A	98.1	Very high	96.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	160.3	174.1	0	0	0	0	0	111.5	L165 V166 L190 L224 V228 L237	L165-A235 CarbonylContact C-O 3.47Å; L165-A235 WeakPolarHBondContact CA-O 3.32Å; V166-A235 HydrophobicContact CB-CB 4.28Å; V166-A235 PolarHBondContact N-O 2.75Å; V166-A235 PolarHBondContact O-N 3.28Å; V166-A235 VanDerWaalsContact O-N 3.17Å; L190-A235 HydrophobicContact CB-CB 4.5Å; L224-A235 HydrophobicContact CD2-CB 3.54Å; V228-A235 HydrophobicContact CG2-CB 3.84Å; A235-L237 HydrophobicContact CB-CD1 4.26Å; A235-L237 HydrophobicContact CB-CG 4.14Å
236	A	97.1	Very high	96.4	Very high	20 Å²	20	31.4 Å²	31.4	17%	0.165	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	109.2	169.6	0	0	0	0	0	108.2	V163 R164 L189 V201 L256	V163-A236 HydrophobicContact CG1-CB 3.86Å; R164-A236 WeakPolarHBondContact O-CA 3.32Å; L189-A236 HydrophobicContact CD1-CB 4.44Å; V201-A236 HydrophobicContact CB-CB 3.61Å; V201-A236 HydrophobicContact CG1-CB 3.74Å; V201-A236 HydrophobicContact CG2-CB 3.8Å; A236-L256 HydrophobicContact CB-CD1 4.34Å
237	L	95.5	Very high	96.3	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.9	-172	-62	175.6	0	0	0	110.1	R164 V166 Y192 L224 I225 A235 V241 V242	R164-L237 PolarHBondContact N-O 2.92Å; R164-L237 PolarHBondContact O-N 3.37Å; V166-L237 HydrophobicContact CG2-CB 4.06Å; V166-L237 HydrophobicContact CG2-CD1 4.23Å; V166-L237 HydrophobicContact CG2-CG 4.27Å; Y192-L237 HydrophobicContact CE2-CD2 3.85Å; L224-L237 HydrophobicContact CD2-CD1 3.81Å; I225-L237 HydrophobicContact CG1-CD1 4.39Å; A235-L237 HydrophobicContact CB-CD1 4.26Å; A235-L237 HydrophobicContact CB-CG 4.14Å; L237-V241 HydrophobicContact CB-CB 4.39Å; L237-V241 HydrophobicContact CB-CG2 4.4Å; L237-V241 HydrophobicContact CD1-CG1 4.16Å; L237-V242 HydrophobicContact CD1-CG1 3.86Å
238	P	94.7	Very high	96.2	Very high	15 Å²	15	42 Å²	42	10%	0.097	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	147.9	164.3	-19.2	29.4	0	0	0	111.2	Y161 W240 V241	Y161-P238 HydrophobicContact CD2-CB 3.92Å; Y161-P238 HydrophobicContact CD2-CG 3.96Å; Y161-P238 HydrophobicContact CE2-CB 4.24Å; Y161-P238 HydrophobicContact CE2-CG 3.75Å; P238-W240 HydrophobicContact CB-CD2 3.61Å; P238-W240 HydrophobicContact CB-CE3 3.86Å; P238-W240 HydrophobicContact CB-CG 4.39Å; P238-W240 HydrophobicContact CB-CH2 3.58Å; P238-W240 HydrophobicContact CB-CZ2 3.26Å; P238-W240 HydrophobicContact CB-CZ3 3.87Å; P238-W240 HydrophobicContact CG-CH2 4.11Å; P238-W240 HydrophobicContact CG-CZ2 3.56Å; P238-W240 PolarHBondContact O-N 3.39Å; P238-V241 HydrophobicContact CB-CG2 3.98Å; P238-V241 HydrophobicContact CG-CG2 4.11Å; P238-V241 WeakPolarHBondContact O-CB 3.35Å; P238-V241 VanDerWaalsContact O-CG2 3.27Å; P238-V241 WeakPolarHBondContact O-CG2 3.49Å; P238-V241 PolarHBondContact O-N 3.31Å
239	H	95	Very high	96.1	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-41.1	-175.4	-176.4	-94.7	0	0	0	113.7	V241 V242 E243 E246 P294 F295	H239-V241 PolarHBondContact O-N 3.46Å; H239-V242 VanDerWaalsContact O-CG2 3.28Å; H239-V242 WeakPolarHBondContact O-CG2 3.32Å; H239-V242 PolarHBondContact O-N 2.87Å; H239-E243 PolarHBondContact O-N 3.19Å; H239-E246 IonicContact CD2-OE2 3.29Å; H239-E246 IonicContact CE1-OE2 3.26Å; H239-E246 IonicContact NE2-OE2 3.6Å; H239-E246 PolarHBondContact NE2-OE2 2.77Å; H239-P294 WeakPolarHBondContact ND1-CG 3.21Å; H239-F295 HydrophobicContact CB-CB 4.26Å; H239-F295 HydrophobicContact CB-CD2 3.57Å; H239-F295 HydrophobicContact CB-CE2 4.34Å; H239-F295 HydrophobicContact CB-CG 4.26Å; H239-F295 AromaticContact CD2-CD2 3.65Å; H239-F295 AromaticContact CD2-CE2 3.49Å; H239-F295 VanDerWaalsContact CD2-CE2 3.49Å; H239-F295 WeakPolarHBondContact CD2-CE2 3.49Å; H239-F295 AromaticContact CE1-CE2 3.84Å; H239-F295 AromaticContact CG-CD2 3.29Å; H239-F295 AromaticContact CG-CE2 3.62Å; H239-F295 AromaticContact ND1-CD2 3.62Å; H239-F295 AromaticContact ND1-CE2 3.86Å; H239-F295 AromaticContact NE2-CE2 3.64Å
240	W	93.4	Very high	96.1	Very high	12 Å²	12	45.8 Å²	45.8	5%	0.045	24%	0.238	C	C	.	.	H	α-helix	trans	-57	-23.9	-177.9	60.5	78.3	0	0	0	114	S99 W103 F159 Y161 P238 V242 L293 V296	S99-W240 PolarHBondContact OG-NE1 3.04Å; W103-W240 AromaticContact CD1-CD1 3.75Å; W103-W240 AromaticContact CD1-CG 3.97Å; W103-W240 AromaticContact CD1-NE1 3.85Å; F159-W240 AromaticContact CE2-CH2 3.87Å; F159-W240 HydrophobicContact CE2-CH2 3.87Å; F159-W240 AromaticContact CE2-CZ3 3.94Å; F159-W240 HydrophobicContact CE2-CZ3 3.94Å; Y161-W240 VanDerWaalsContact CB-CH2 3.41Å; Y161-W240 AromaticContact CD1-CH2 3.61Å; Y161-W240 HydrophobicContact CD1-CH2 3.61Å; Y161-W240 HydrophobicContact CD1-CZ3 4.3Å; Y161-W240 AromaticContact CD2-CH2 3.63Å; Y161-W240 HydrophobicContact CD2-CH2 3.63Å; Y161-W240 HydrophobicContact CD2-CZ2 4.41Å; Y161-W240 HydrophobicContact CD2-CZ3 4.14Å; Y161-W240 HydrophobicContact CE1-CH2 4.22Å; Y161-W240 HydrophobicContact CE2-CH2 4.26Å; Y161-W240 AromaticContact CG-CH2 3.27Å; Y161-W240 HydrophobicContact CG-CH2 3.27Å; Y161-W240 HydrophobicContact CG-CZ2 4.37Å; Y161-W240 AromaticContact CG-CZ3 3.67Å; Y161-W240 HydrophobicContact CG-CZ3 3.67Å; P238-W240 HydrophobicContact CB-CD2 3.61Å; P238-W240 HydrophobicContact CB-CE3 3.86Å; P238-W240 HydrophobicContact CB-CG 4.39Å; P238-W240 HydrophobicContact CB-CH2 3.58Å; P238-W240 HydrophobicContact CB-CZ2 3.26Å; P238-W240 HydrophobicContact CB-CZ3 3.87Å; P238-W240 HydrophobicContact CG-CH2 4.11Å; P238-W240 HydrophobicContact CG-CZ2 3.56Å; P238-W240 PolarHBondContact O-N 3.39Å; W240-V242 VanDerWaalsContact C-N 3.26Å; W240-V242 PolarHBondContact O-N 2.77Å; W240-L293 HydrophobicContact CB-CD1 4.33Å; W240-L293 HydrophobicContact CB-CD2 3.85Å; W240-L293 HydrophobicContact CD2-CD1 4.23Å; W240-L293 HydrophobicContact CE3-CD1 3.88Å; W240-L293 HydrophobicContact CG-CD1 4.44Å; W240-L293 HydrophobicContact CZ3-CD1 4.44Å; W240-V296 HydrophobicContact CE3-CG2 4.08Å; W240-V296 HydrophobicContact CZ3-CG2 3.81Å
241	V	94	Very high	96.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.3	-32.7	178.7	-167.4	0	0	0	0	111.6	S99 T221 I225 L237 P238 H239	S99-V241 WeakPolarHBondContact OG-CG2 3.4Å; T221-V241 HydrophobicContact CG2-CG1 3.44Å; T221-V241 VanDerWaalsContact CG2-CG1 3.44Å; I225-V241 HydrophobicContact CD1-CG1 4.25Å; L237-V241 HydrophobicContact CB-CB 4.39Å; L237-V241 HydrophobicContact CB-CG2 4.4Å; L237-V241 HydrophobicContact CD1-CG1 4.16Å; P238-V241 HydrophobicContact CB-CG2 3.98Å; P238-V241 HydrophobicContact CG-CG2 4.11Å; P238-V241 WeakPolarHBondContact O-CB 3.35Å; P238-V241 VanDerWaalsContact O-CG2 3.27Å; P238-V241 WeakPolarHBondContact O-CG2 3.49Å; P238-V241 PolarHBondContact O-N 3.31Å; H239-V241 PolarHBondContact O-N 3.46Å
242	V	94.5	Very high	96.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-115.2	-6.8	-169.3	-63.8	0	0	0	0	113	V166 I225 L237 H239 W240 S244 F245 E246 V251 T253	V166-V242 HydrophobicContact CG1-CB 4.49Å; V166-V242 HydrophobicContact CG1-CG1 3.98Å; V166-V242 HydrophobicContact CG2-CG1 3.97Å; V166-V242 HydrophobicContact CG2-CG2 4.24Å; I225-V242 HydrophobicContact CD1-CG1 4.01Å; I225-V242 HydrophobicContact CG1-CG1 4.09Å; L237-V242 HydrophobicContact CD1-CG1 3.86Å; H239-V242 VanDerWaalsContact O-CG2 3.28Å; H239-V242 WeakPolarHBondContact O-CG2 3.32Å; H239-V242 PolarHBondContact O-N 2.87Å; W240-V242 VanDerWaalsContact C-N 3.26Å; W240-V242 PolarHBondContact O-N 2.77Å; V242-S244 VanDerWaalsContact C-N 3.31Å; V242-S244 PolarHBondContact O-N 2.79Å; V242-F245 CarbonylContact O-C 3.55Å; V242-F245 WeakPolarHBondContact O-CA 3.37Å; V242-F245 WeakPolarHBondContact O-CB 3.3Å; V242-F245 PolarHBondContact O-N 2.74Å; V242-E246 PolarHBondContact O-N 2.84Å; V242-V251 HydrophobicContact CB-CG2 4.28Å; V242-T253 HydrophobicContact CG2-CG2 3.45Å; V242-T253 VanDerWaalsContact CG2-CG2 3.45Å
243	E	94.4	Very high	96.2	Very high	41 Å²	41	34.9 Å²	34.9	19%	0.192	19%	0.185	C	C	.	.	H	α-helix	trans	-51.3	-47	-177.4	-179.1	176.3	-164.6	0	0	112.6	H239 F245 E246 R247	H239-E243 PolarHBondContact O-N 3.19Å; E243-F245 VanDerWaalsContact C-N 3.3Å; E243-F245 PolarHBondContact O-N 2.66Å; E243-E246 PolarHBondContact O-N 3.01Å; E243-R247 WeakPolarHBondContact O-CG 3.37Å; E243-R247 PolarHBondContact O-N 2.81Å; E243-R247 IonicContact OE1-CZ 3.19Å; E243-R247 IonicContact OE1-NE 3.34Å; E243-R247 PolarHBondContact OE1-NE 2.92Å; E243-R247 IonicContact OE1-NH2 3.93Å; E243-R247 PolarHBondContact OE1-NH2 2.94Å
244	S	93.1	Very high	96.1	Very high	51 Å²	51	36.7 Å²	36.7	36%	0.357	19%	0.19	S	C	.	.	H	α-helix	trans	-64.7	-34.8	179.1	60.7	0	0	0	0	112.8	V242 Q248	V242-S244 VanDerWaalsContact C-N 3.31Å; V242-S244 PolarHBondContact O-N 2.79Å; S244-Q248 VanDerWaalsContact O-CG 3.23Å; S244-Q248 WeakPolarHBondContact O-CG 3.16Å; S244-Q248 PolarHBondContact O-N 3.35Å; S244-Q248 PolarHBondContact O-NE2 2.58Å
245	F	96	Very high	96.1	Very high	23 Å²	23	39 Å²	39	10%	0.101	21%	0.205	C	C	.	.	H	α-helix	trans	-77.7	-34.6	179.7	-60.5	-89.4	0	0	0	111.7	L222 I225 V242 E243 Q248 G249 L250 V251	L222-F245 HydrophobicContact CD1-CE1 3.68Å; L222-F245 HydrophobicContact CD1-CZ 3.61Å; I225-F245 HydrophobicContact CD1-CD2 3.73Å; I225-F245 HydrophobicContact CD1-CE2 3.49Å; I225-F245 VanDerWaalsContact CD1-CE2 3.49Å; I225-F245 HydrophobicContact CD1-CG 4.44Å; I225-F245 HydrophobicContact CD1-CZ 4.05Å; I225-F245 HydrophobicContact CG2-CB 4.04Å; I225-F245 HydrophobicContact CG2-CD1 3.74Å; I225-F245 HydrophobicContact CG2-CD2 4.06Å; I225-F245 HydrophobicContact CG2-CE1 4.17Å; I225-F245 HydrophobicContact CG2-CE2 4.45Å; I225-F245 HydrophobicContact CG2-CG 3.68Å; V242-F245 CarbonylContact O-C 3.55Å; V242-F245 WeakPolarHBondContact O-CA 3.37Å; V242-F245 WeakPolarHBondContact O-CB 3.3Å; V242-F245 PolarHBondContact O-N 2.74Å; E243-F245 VanDerWaalsContact C-N 3.3Å; E243-F245 PolarHBondContact O-N 2.66Å; F245-Q248 PolarHBondContact O-N 3.21Å; F245-G249 PolarHBondContact O-N 2.74Å; F245-L250 HydrophobicContact CB-CB 4.44Å; F245-L250 HydrophobicContact CD1-CD1 3.94Å; F245-L250 PolarHBondContact O-N 2.85Å; F245-V251 HydrophobicContact CB-CG2 3.83Å
246	E	96.5	Very high	96	Very high	57 Å²	57	39.1 Å²	39.1	27%	0.266	21%	0.205	S	C	.	.	H	α-helix	trans	-65.4	-43.9	172.6	-173.3	173.7	-124.7	0	0	110.7	H239 V242 E243 Q248 G249 V251 T253	H239-E246 IonicContact CD2-OE2 3.29Å; H239-E246 IonicContact CE1-OE2 3.26Å; H239-E246 IonicContact NE2-OE2 3.6Å; H239-E246 PolarHBondContact NE2-OE2 2.77Å; V242-E246 PolarHBondContact O-N 2.84Å; E243-E246 PolarHBondContact O-N 3.01Å; E246-Q248 PolarHBondContact O-N 3.03Å; E246-G249 PolarHBondContact O-N 3.49Å; E246-V251 WeakPolarHBondContact CA-O 3.46Å; E246-V251 HydrophobicContact CB-CG2 4.43Å; E246-T253 WeakPolarHBondContact OE1-CB 3.45Å; E246-T253 WeakPolarHBondContact OE1-CG2 3.39Å; E246-T253 PolarHBondContact OE1-N 3Å; E246-T253 PolarHBondContact OE1-OG1 2.93Å
247	R	95.7	Very high	95.9	Very high	198 Å²	198	39 Å²	39	75%	0.747	21%	0.205	S	C	*	.	H	α-helix	trans	-61.3	-30	173.3	-72.1	179.3	-173.9	-160.7	4.4	113.4	E243 G249	E243-R247 WeakPolarHBondContact O-CG 3.37Å; E243-R247 PolarHBondContact O-N 2.81Å; E243-R247 IonicContact OE1-CZ 3.19Å; E243-R247 IonicContact OE1-NE 3.34Å; E243-R247 PolarHBondContact OE1-NE 2.92Å; E243-R247 IonicContact OE1-NH2 3.93Å; E243-R247 PolarHBondContact OE1-NH2 2.94Å; R247-G249 VanDerWaalsContact C-N 3.27Å
248	Q	96.1	Very high	95.8	Very high	130 Å²	130	45.9 Å²	45.9	61%	0.607	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.4	174.2	-70.2	168.5	23.8	0	0	113.1	S244 F245 E246 L250	S244-Q248 VanDerWaalsContact O-CG 3.23Å; S244-Q248 WeakPolarHBondContact O-CG 3.16Å; S244-Q248 PolarHBondContact O-N 3.35Å; S244-Q248 PolarHBondContact O-NE2 2.58Å; F245-Q248 PolarHBondContact O-N 3.21Å; E246-Q248 PolarHBondContact O-N 3.03Å; Q248-L250 VanDerWaalsContact C-N 3.28Å; Q248-L250 HydrophobicContact CB-CD1 4.26Å; Q248-L250 HydrophobicContact CB-CG 4.12Å; Q248-L250 PolarHBondContact O-N 3.27Å
249	G	97.2	Very high	95.8	Very high	48 Å²	48	46.3 Å²	46.3	50%	0.495	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	16.1	-177	0	0	0	0	0	114.3	P169 F245 E246 R247	P169-G249 VanDerWaalsContact CG-O 3.25Å; P169-G249 WeakPolarHBondContact CG-O 3.49Å; F245-G249 PolarHBondContact O-N 2.74Å; E246-G249 PolarHBondContact O-N 3.49Å; R247-G249 VanDerWaalsContact C-N 3.27Å
250	L	97.4	Very high	95.8	Very high	62 Å²	62	46.4 Å²	46.4	33%	0.325	25%	0.246	S	C	.	.	S	Bend	trans	-79.7	-30	-179.9	-68	175.1	0	0	0	112.8	P169 A229 F245 Q248	P169-L250 WeakPolarHBondContact CD-O 3.4Å; A229-L250 WeakPolarHBondContact CB-O 3.41Å; F245-L250 HydrophobicContact CB-CB 4.44Å; F245-L250 HydrophobicContact CD1-CD1 3.94Å; F245-L250 PolarHBondContact O-N 2.85Å; Q248-L250 VanDerWaalsContact C-N 3.28Å; Q248-L250 HydrophobicContact CB-CD1 4.26Å; Q248-L250 HydrophobicContact CB-CG 4.12Å; Q248-L250 PolarHBondContact O-N 3.27Å
251	V	98.4	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.			trans	-142.2	165.6	178.4	-64	0	0	0	0	109.8	V166 L167 I225 V228 A229 V242 F245 E246	V166-V251 HydrophobicContact CG1-CB 3.86Å; V166-V251 HydrophobicContact CG1-CG1 4.09Å; V166-V251 HydrophobicContact CG1-CG2 4Å; L167-V251 CarbonylContact O-C 3.5Å; L167-V251 VanDerWaalsContact O-CA 3.28Å; L167-V251 WeakPolarHBondContact O-CA 3.28Å; L167-V251 WeakPolarHBondContact O-CB 3.25Å; I225-V251 HydrophobicContact CG2-CG1 4.14Å; V228-V251 HydrophobicContact CB-CG1 4.45Å; V228-V251 HydrophobicContact CG1-CG1 4.12Å; A229-V251 HydrophobicContact CB-CG1 4.18Å; V242-V251 HydrophobicContact CB-CG2 4.28Å; F245-V251 HydrophobicContact CB-CG2 3.83Å; E246-V251 WeakPolarHBondContact CA-O 3.46Å; E246-V251 HydrophobicContact CB-CG2 4.43Å
252	V	98.2	Very high	95.7	Very high	42 Å²	42	50.5 Å²	50.5	26%	0.255	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.9	170.3	-63.3	0	0	0	0	109.9	L167 P169 A174	L167-V252 HydrophobicContact CB-CG2 4.04Å; L167-V252 PolarHBondContact N-O 3.45Å; L167-V252 PolarHBondContact O-N 3.45Å; P169-V252 HydrophobicContact CB-CG1 4.15Å; P169-V252 HydrophobicContact CG-CG1 4.38Å; A174-V252 HydrophobicContact CB-CG2 3.73Å
253	T	97.8	Very high	95.7	Very high	12 Å²	12	53.7 Å²	53.7	7%	0.074	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.5	179.6	68	0	0	0	0	113.9	R164 L165 V242 E246	R164-T253 PolarHBondContact NE-OG1 3Å; R164-T253 PolarHBondContact NH2-O 3.49Å; R164-T253 PolarHBondContact NH2-OG1 3.18Å; L165-T253 CarbonylContact O-C 3.56Å; L165-T253 WeakPolarHBondContact O-CA 3.35Å; V242-T253 HydrophobicContact CG2-CG2 3.45Å; V242-T253 VanDerWaalsContact CG2-CG2 3.45Å; E246-T253 WeakPolarHBondContact OE1-CB 3.45Å; E246-T253 WeakPolarHBondContact OE1-CG2 3.39Å; E246-T253 PolarHBondContact OE1-N 3Å; E246-T253 PolarHBondContact OE1-OG1 2.93Å
254	K	97.7	Very high	95.6	Very high	45 Å²	45	51.8 Å²	51.8	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145.2	177.1	-56.8	-67.1	-70.7	-159.9	0	111.1	L165 L167 A174 K176 I179	L165-K254 HydrophobicContact CB-CB 4.34Å; L165-K254 PolarHBondContact N-O 2.8Å; L165-K254 PolarHBondContact O-N 3.27Å; L167-K254 HydrophobicContact CD1-CG 3.83Å; A174-K254 WeakPolarHBondContact O-CE 3.5Å; A174-K254 PolarHBondContact O-NZ 2.86Å; K176-K254 WeakPolarHBondContact O-CE 3.49Å; K176-K254 PolarHBondContact O-NZ 2.92Å; I179-K254 HydrophobicContact CG1-CB 4Å
255	T	97	Very high	95.7	Very high	50 Å²	50	51.3 Å²	51.3	31%	0.307	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	133	170	-70	0	0	0	0	110	E162 R164	E162-T255 WeakPolarHBondContact OE1-CB 3.39Å; E162-T255 WeakPolarHBondContact OE1-CG2 3.26Å; E162-T255 PolarHBondContact OE1-OG1 3.02Å; R164-T255 PolarHBondContact NH1-OG1 3Å
256	L	96.8	Very high	95.7	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	119.8	173.5	-71	162.1	0	0	0	109.2	L165 I179 L184 V201 F205 A236 E258 G259 L260	L165-L256 HydrophobicContact CB-CD2 3.88Å; L165-L256 HydrophobicContact CB-CG 4.03Å; L165-L256 HydrophobicContact CD1-CD2 4.32Å; L165-L256 HydrophobicContact CD2-CD2 4.47Å; L165-L256 HydrophobicContact CG-CD2 4.46Å; I179-L256 HydrophobicContact CG2-CD2 3.98Å; L184-L256 HydrophobicContact CD1-CD2 4.07Å; V201-L256 HydrophobicContact CG2-CD1 4.14Å; F205-L256 HydrophobicContact CD1-CD2 3.89Å; F205-L256 HydrophobicContact CD2-CB 4.09Å; F205-L256 HydrophobicContact CE1-CB 4.38Å; F205-L256 HydrophobicContact CE1-CD2 3.49Å; F205-L256 VanDerWaalsContact CE1-CD2 3.49Å; F205-L256 HydrophobicContact CE1-CG 4.49Å; F205-L256 HydrophobicContact CE2-CB 3.95Å; F205-L256 HydrophobicContact CG-CB 4.37Å; F205-L256 HydrophobicContact CZ-CB 4.08Å; F205-L256 HydrophobicContact CZ-CD2 3.82Å; A236-L256 HydrophobicContact CB-CD1 4.34Å; L256-E258 PolarHBondContact O-N 2.85Å; L256-G259 PolarHBondContact O-N 3.22Å; L256-L260 HydrophobicContact CB-CB 4.23Å; L256-L260 HydrophobicContact CD1-CB 4.39Å; L256-L260 HydrophobicContact CD1-CD2 3.87Å
257	G	95.1	Very high	95.6	Very high	17 Å²	17	47.5 Å²	47.5	18%	0.175	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.3	-123.3	-178.1	0	0	0	0	0	112.4	I179	I179-G257 WeakPolarHBondContact O-CA 3.48Å; I179-G257 PolarHBondContact O-N 3.01Å
258	E	92.6	Very high	95.6	Very high	152 Å²	152	38.1 Å²	38.1	71%	0.71	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	7.5	175.6	-57.2	-53.8	130.4	0	0	113.3	R178 L256	R178-E258 IonicContact CZ-OE1 2.84Å; R178-E258 IonicContact NE-OE1 2.65Å; R178-E258 PolarHBondContact NE-OE1 2.71Å; R178-E258 IonicContact NH2-OE1 3.17Å; R178-E258 PolarHBondContact NH2-OE1 3.44Å; L256-E258 PolarHBondContact O-N 2.85Å
259	G	94.2	Very high	95.4	Very high	24 Å²	24	33.8 Å²	33.8	25%	0.247	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114.7	118.6	-172.1	0	0	0	0	0	111.4	L256	L256-G259 PolarHBondContact O-N 3.22Å
260	L	95.1	Very high	95	Very high	10 Å²	10	37 Å²	37	5%	0.052	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	103.8	171.9	174.9	59.9	0	0	0	108.6	E162 V163 D200 V201 H204 F205 L256	E162-L260 CarbonylContact C-O 3.55Å; E162-L260 WeakPolarHBondContact CA-O 3.32Å; V163-L260 HydrophobicContact CB-CB 4.36Å; V163-L260 HydrophobicContact CB-CD2 3.77Å; V163-L260 HydrophobicContact CB-CG 3.89Å; V163-L260 HydrophobicContact CG1-CD2 3.85Å; V163-L260 HydrophobicContact CG2-CD2 4.49Å; V163-L260 HydrophobicContact CG2-CG 4.45Å; V163-L260 PolarHBondContact N-O 3.25Å; D200-L260 HydrophobicContact CB-CD2 4.36Å; V201-L260 HydrophobicContact CB-CD2 4.09Å; H204-L260 HydrophobicContact CB-CD1 3.46Å; H204-L260 VanDerWaalsContact CB-CD1 3.46Å; F205-L260 HydrophobicContact CB-CD2 4.47Å; L256-L260 HydrophobicContact CB-CB 4.23Å; L256-L260 HydrophobicContact CD1-CB 4.39Å; L256-L260 HydrophobicContact CD1-CD2 3.87Å
261	W	94.5	Very high	94.3	Very high	86 Å²	86	36.5 Å²	36.5	33%	0.326	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.8	-176.6	-66.8	83	0	0	0	111.5	D160 Y161 E162 F295 K297	D160-W261 HydrophobicContact CB-CE3 4.15Å; Y161-W261 VanDerWaalsContact C-CE3 3.47Å; Y161-W261 WeakPolarHBondContact O-CA 3.37Å; E162-W261 HydrophobicContact CB-CD2 4.26Å; E162-W261 HydrophobicContact CB-CE3 4.32Å; E162-W261 HydrophobicContact CB-CH2 4.07Å; E162-W261 HydrophobicContact CB-CZ2 4.02Å; E162-W261 HydrophobicContact CB-CZ3 4.23Å; E162-W261 HydrophobicContact CG-CZ2 4.32Å; W261-F295 WeakPolarHBondContact CZ3-O 3.44Å; W261-K297 HydrophobicContact CE3-CD 4.05Å; W261-K297 HydrophobicContact CH2-CD 3.73Å; W261-K297 HydrophobicContact CH2-CG 3.95Å; W261-K297 HydrophobicContact CZ2-CD 4.25Å; W261-K297 HydrophobicContact CZ3-CB 4.35Å; W261-K297 HydrophobicContact CZ3-CD 3.6Å; W261-K297 HydrophobicContact CZ3-CG 3.73Å
262	S	92.6	Very high	93.8	Very high	11 Å²	11	38.3 Å²	38.3	8%	0.077	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	160.8	176.9	-63.5	0	0	0	0	110.3	D160 Y161 D200	D160-S262 CarbonylContact C-O 3.58Å; D160-S262 WeakPolarHBondContact CA-O 3.26Å; Y161-S262 VanDerWaalsContact CD1-O 3.32Å; Y161-S262 WeakPolarHBondContact CD1-O 3.44Å; Y161-S262 PolarHBondContact N-O 3.37Å; Y161-S262 PolarHBondContact O-N 2.76Å; Y161-S262 WeakPolarHBondContact OH-CB 3.28Å; D200-S262 VanDerWaalsContact OD2-CB 3.3Å; D200-S262 WeakPolarHBondContact OD2-CB 3.34Å; D200-S262 PolarHBondContact OD2-OG 2.96Å
263	R	93	Very high	93.3	Very high	67 Å²	67	37.9 Å²	37.9	25%	0.253	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133	-179.3	-175.3	162.1	-72.3	171.9	1.5	111.3	S145 D160 Y265	S145-R263 WeakPolarHBondContact CA-O 3.18Å; D160-R263 VanDerWaalsContact OD1-CB 3.25Å; D160-R263 WeakPolarHBondContact OD1-CB 3.44Å; D160-R263 WeakPolarHBondContact OD1-CG 3.34Å; D160-R263 IonicContact OD1-CZ 3.37Å; D160-R263 IonicContact OD1-NE 3.89Å; D160-R263 PolarHBondContact OD1-NE 3.33Å; D160-R263 IonicContact OD1-NH2 3.55Å; D160-R263 PolarHBondContact OD1-NH2 3.41Å; D160-R263 IonicContact OD2-CZ 3.7Å; D160-R263 IonicContact OD2-NE 2.76Å; D160-R263 IonicContact OD2-NH2 3.87Å; D160-R263 PolarHBondContact OD2-NH2 2.95Å; R263-Y265 HydrophobicContact CB-CE2 3.78Å; R263-Y265 WeakPolarHBondContact CD-OH 3.42Å; R263-Y265 HydrophobicContact CG-CD1 4.45Å; R263-Y265 HydrophobicContact CG-CD2 4.22Å; R263-Y265 HydrophobicContact CG-CE1 3.94Å; R263-Y265 HydrophobicContact CG-CE2 3.68Å
264	L	93.8	Very high	92.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	137.5	167.8	-167.1	71.1	0	0	0	110	C97 W103 M143 M158 F159 Y161	C97-L264 HydrophobicContact CB-CD1 4.39Å; W103-L264 HydrophobicContact CZ2-CD2 3.82Å; M143-L264 HydrophobicContact CE-CD2 3.77Å; M158-L264 WeakPolarHBondContact CB-O 3.38Å; M158-L264 PolarHBondContact N-O 2.88Å; M158-L264 HydrophobicContact SD-CD2 4.08Å; M158-L264 HydrophobicContact SD-CG 4.26Å; F159-L264 HydrophobicContact CD2-CB 4.44Å; F159-L264 HydrophobicContact CE1-CD2 3.84Å; F159-L264 HydrophobicContact CE2-CB 4.08Å; F159-L264 HydrophobicContact CE2-CD2 4.07Å; F159-L264 HydrophobicContact CZ-CB 4.17Å; F159-L264 HydrophobicContact CZ-CD2 3.4Å; F159-L264 HydrophobicContact CZ-CG 4.43Å; F159-L264 PolarHBondContact O-N 2.85Å; Y161-L264 HydrophobicContact CD1-CB 4.32Å; Y161-L264 HydrophobicContact CE1-CB 4.11Å
265	Y	94.7	Very high	92.1	Very high	42 Å²	42	48 Å²	48	17%	0.165	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	151	177.1	-58.9	-91.5	0	0	0	110.8	M143 T144 I147 S156 P157 R263	M143-Y265 WeakPolarHBondContact CA-O 3.45Å; T144-Y265 PolarHBondContact N-O 3.27Å; T144-Y265 WeakPolarHBondContact O-CA 2.82Å; T144-Y265 WeakPolarHBondContact O-CB 3.2Å; T144-Y265 PolarHBondContact O-N 2.9Å; I147-Y265 HydrophobicContact CD1-CD2 4.45Å; I147-Y265 HydrophobicContact CD1-CE1 4.07Å; I147-Y265 HydrophobicContact CD1-CE2 3.84Å; I147-Y265 HydrophobicContact CG1-CD2 4.23Å; I147-Y265 HydrophobicContact CG1-CE2 4Å; S156-Y265 CarbonylContact O-C 3.5Å; S156-Y265 WeakPolarHBondContact O-CA 3.27Å; P157-Y265 HydrophobicContact CB-CD1 4.19Å; P157-Y265 HydrophobicContact CB-CE1 4.13Å; R263-Y265 HydrophobicContact CB-CE2 3.78Å; R263-Y265 WeakPolarHBondContact CD-OH 3.42Å; R263-Y265 HydrophobicContact CG-CD1 4.45Å; R263-Y265 HydrophobicContact CG-CD2 4.22Å; R263-Y265 HydrophobicContact CG-CE1 3.94Å; R263-Y265 HydrophobicContact CG-CE2 3.68Å
266	A	94.8	Very high	91.5	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	106.8	159.9	0	0	0	0	0	108.3	L141 S156 M158 I282	L141-A266 HydrophobicContact CD1-CB 4.04Å; L141-A266 HydrophobicContact CD2-CB 4.46Å; L141-A266 HydrophobicContact CG-CB 4.29Å; S156-A266 PolarHBondContact N-O 3.07Å; S156-A266 PolarHBondContact O-N 3.42Å; M158-A266 HydrophobicContact CG-CB 4.1Å; M158-A266 HydrophobicContact SD-CB 3.91Å; A266-I282 HydrophobicContact CB-CD1 3.76Å; A266-I282 HydrophobicContact CB-CG1 3.63Å; A266-I282 HydrophobicContact CB-CG2 4.21Å
267	A	95.7	Very high	91.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133.6	174.3	0	0	0	0	0	110.3	L134 L141 V142 T144 H154 Y155	L134-A267 HydrophobicContact CD2-CB 3.86Å; L134-A267 WeakPolarHBondContact CD2-O 3.34Å; L141-A267 CarbonylContact C-O 3.21Å; L141-A267 WeakPolarHBondContact CA-O 3.36Å; V142-A267 HydrophobicContact CB-CB 4.26Å; V142-A267 PolarHBondContact N-O 3.31Å; V142-A267 PolarHBondContact O-N 3.29Å; T144-A267 HydrophobicContact CG2-CB 4.15Å; H154-A267 CarbonylContact O-C 3.54Å; H154-A267 WeakPolarHBondContact O-CA 3.41Å; Y155-A267 HydrophobicContact CD1-CB 3.59Å; Y155-A267 HydrophobicContact CE1-CB 3.58Å; Y155-A267 HydrophobicContact CG-CB 4.37Å
268	V	94.4	Very high	91	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	166.7	175.1	-59.9	0	0	0	0	108.8	L141 L153 H154 Q273 T278 I282	L141-V268 HydrophobicContact CB-CG1 4.27Å; L141-V268 HydrophobicContact CD1-CG1 4.17Å; L141-V268 HydrophobicContact CG-CG1 4.2Å; L153-V268 CarbonylContact C-O 3.45Å; L153-V268 VanDerWaalsContact CA-O 3.23Å; L153-V268 WeakPolarHBondContact CA-O 3.49Å; H154-V268 HydrophobicContact CB-CG2 4.2Å; H154-V268 PolarHBondContact N-O 2.84Å; H154-V268 PolarHBondContact O-N 3.4Å; V268-Q273 HydrophobicContact CG2-CB 3.72Å; V268-T278 HydrophobicContact CG1-CG2 3.68Å; V268-I282 HydrophobicContact CG1-CD1 4.4Å
269	R	92.4	Very high	90.9	Very high	40 Å²	40	45.4 Å²	45.4	15%	0.151	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	143.8	170.1	-69	176.7	-67.9	-74.7	-1	110	L134 L139 D140 L153 G271 E272	L134-R269 WeakPolarHBondContact O-CD 3.36Å; L134-R269 WeakPolarHBondContact O-CG 3.47Å; L134-R269 PolarHBondContact O-NH1 2.85Å; L139-R269 PolarHBondContact O-NH1 2.99Å; D140-R269 IonicContact OD1-NH2 3.73Å; D140-R269 PolarHBondContact OD1-NH2 3.35Å; L153-R269 HydrophobicContact CD2-CG 4.2Å; R269-G271 PolarHBondContact O-N 3.06Å; R269-E272 HydrophobicContact CB-CG 4.1Å; R269-E272 VanDerWaalsContact CZ-CD 3.48Å; R269-E272 IonicContact CZ-OE1 3.61Å; R269-E272 IonicContact CZ-OE2 2.67Å; R269-E272 IonicContact NE-OE1 3.67Å; R269-E272 PolarHBondContact NE-OE1 2.85Å; R269-E272 IonicContact NE-OE2 3.74Å; R269-E272 PolarHBondContact NE-OE2 2.96Å; R269-E272 VanDerWaalsContact NE-OE2 3.12Å; R269-E272 IonicContact NH1-OE2 3.38Å; R269-E272 IonicContact NH2-OE1 2.79Å; R269-E272 PolarHBondContact NH2-OE1 3.09Å; R269-E272 IonicContact NH2-OE2 3.44Å; R269-E272 PolarHBondContact NH2-OE2 2.89Å; R269-E272 WeakPolarHBondContact O-CB 3.44Å; R269-E272 PolarHBondContact O-N 3.18Å
270	D	88.3	Confident	90.7	Very high	114 Å²	114	44.5 Å²	44.5	61%	0.61	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	131.2	-179.8	-166	21.9	0	0	0	111.2	G152	G152-D270 WeakPolarHBondContact O-CB 3.16Å; G152-D270 PolarHBondContact O-N 2.99Å
271	G	83.4	Confident	90.6	Very high	53 Å²	53	44.1 Å²	44.1	55%	0.546	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	-22.5	-171.8	0	0	0	0	0	114.9	R269	R269-G271 PolarHBondContact O-N 3.06Å
272	E	88.6	Confident	90.5	Very high	38 Å²	38	40.3 Å²	40.3	18%	0.178	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-87.5	-12.8	-176.7	-59.9	-171.7	163.8	0	0	114.5	R269 R274 Q275	R269-E272 HydrophobicContact CB-CG 4.1Å; R269-E272 VanDerWaalsContact CZ-CD 3.48Å; R269-E272 IonicContact CZ-OE1 3.61Å; R269-E272 IonicContact CZ-OE2 2.67Å; R269-E272 IonicContact NE-OE1 3.67Å; R269-E272 PolarHBondContact NE-OE1 2.85Å; R269-E272 IonicContact NE-OE2 3.74Å; R269-E272 PolarHBondContact NE-OE2 2.96Å; R269-E272 VanDerWaalsContact NE-OE2 3.12Å; R269-E272 IonicContact NH1-OE2 3.38Å; R269-E272 IonicContact NH2-OE1 2.79Å; R269-E272 PolarHBondContact NH2-OE1 3.09Å; R269-E272 IonicContact NH2-OE2 3.44Å; R269-E272 PolarHBondContact NH2-OE2 2.89Å; R269-E272 WeakPolarHBondContact O-CB 3.44Å; R269-E272 PolarHBondContact O-N 3.18Å; E272-R274 PolarHBondContact O-N 2.76Å; E272-Q275 HydrophobicContact CB-CG 4.43Å; E272-Q275 VanDerWaalsContact O-CB 3.26Å; E272-Q275 WeakPolarHBondContact O-CB 3.46Å; E272-Q275 WeakPolarHBondContact O-CG 3.4Å; E272-Q275 PolarHBondContact O-N 3.01Å
273	Q	86.1	Confident	90.4	Very high	33 Å²	33	45.7 Å²	45.7	15%	0.154	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-58.7	-21.7	179	72.6	-84.2	23.6	0	0	114.1	H154 V268	H154-Q273 VanDerWaalsContact CE1-CG 3.48Å; H154-Q273 WeakPolarHBondContact CE1-CG 3.36Å; H154-Q273 WeakPolarHBondContact ND1-CG 3.1Å; H154-Q273 PolarHBondContact ND1-NE2 3.17Å; V268-Q273 HydrophobicContact CG2-CB 3.72Å
274	R	82.9	Confident	90.4	Very high	198 Å²	198	43.7 Å²	43.7	75%	0.747	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-96.9	4.4	-178.9	-56.5	-169.3	-177.4	176.5	0.7	112.9	E272 P276	E272-R274 PolarHBondContact O-N 2.76Å; R274-P276 WeakPolarHBondContact O-CD 3.4Å
275	Q	87	Confident	90.4	Very high	70 Å²	70	43.7 Å²	43.7	33%	0.327	22%	0.215	S	C	.	.	S	Bend	trans	-66.7	125.9	173.6	-73.6	-176	11.9	0	0	108.9	E272 V277 T278 E279	E272-Q275 HydrophobicContact CB-CG 4.43Å; E272-Q275 VanDerWaalsContact O-CB 3.26Å; E272-Q275 WeakPolarHBondContact O-CB 3.46Å; E272-Q275 WeakPolarHBondContact O-CG 3.4Å; E272-Q275 PolarHBondContact O-N 3.01Å; Q275-V277 VanDerWaalsContact C-N 3.34Å; Q275-V277 PolarHBondContact O-N 2.95Å; Q275-V277 VanDerWaalsContact O-N 3.17Å; Q275-T278 PolarHBondContact O-N 3.23Å; Q275-E279 PolarHBondContact O-N 2.83Å
276	P	85.4	Confident	90.3	Very high	71 Å²	71	43.4 Å²	43.4	46%	0.461	21%	0.214	S	C	.	.	H	α-helix	trans	-45.8	-48.1	-175.5	-28.7	21	0	0	0	116	W115 R274 A280	W115-P276 HydrophobicContact CH2-CB 3.89Å; R274-P276 WeakPolarHBondContact O-CD 3.4Å; P276-A280 WeakPolarHBondContact O-CB 3.33Å; P276-A280 PolarHBondContact O-N 3.19Å
277	V	90.1	Very high	90.2	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-47.2	177.2	159.8	0	0	0	0	112.6	Q88 L91 F111 W115 V118 Q275 A280 F281	Q88-V277 HydrophobicContact CB-CB 3.86Å; Q88-V277 HydrophobicContact CB-CG2 3.51Å; Q88-V277 HydrophobicContact CG-CB 4.21Å; Q88-V277 HydrophobicContact CG-CG2 4.24Å; L91-V277 HydrophobicContact CB-CG1 4.42Å; L91-V277 HydrophobicContact CD1-CG1 4.36Å; L91-V277 HydrophobicContact CD2-CG1 4.31Å; F111-V277 HydrophobicContact CZ-CG1 4.14Å; W115-V277 HydrophobicContact CD2-CG2 4.08Å; W115-V277 HydrophobicContact CE3-CG2 3.31Å; W115-V277 HydrophobicContact CH2-CG2 4.06Å; W115-V277 HydrophobicContact CZ3-CG2 3.3Å; V118-V277 HydrophobicContact CG1-CG1 3.94Å; V118-V277 HydrophobicContact CG2-CG1 4.21Å; V118-V277 HydrophobicContact CG2-CG2 3.63Å; Q275-V277 VanDerWaalsContact C-N 3.34Å; Q275-V277 PolarHBondContact O-N 2.95Å; Q275-V277 VanDerWaalsContact O-N 3.17Å; V277-A280 PolarHBondContact O-N 3.41Å; V277-F281 WeakPolarHBondContact O-CB 3.41Å; V277-F281 PolarHBondContact O-N 2.91Å
278	T	91.2	Very high	90.1	Very high	2 Å²	2	48 Å²	48	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-48.2	179.5	-55.7	0	0	0	0	111.3	L141 V268 Q275 A280 F281 I282	L141-T278 HydrophobicContact CD1-CG2 4.34Å; V268-T278 HydrophobicContact CG1-CG2 3.68Å; Q275-T278 PolarHBondContact O-N 3.23Å; T278-A280 PolarHBondContact O-N 3.38Å; T278-F281 PolarHBondContact O-N 3.35Å; T278-I282 HydrophobicContact CG2-CD1 3.97Å; T278-I282 VanDerWaalsContact O-CG1 3.26Å; T278-I282 WeakPolarHBondContact O-CG1 3.01Å; T278-I282 PolarHBondContact O-N 2.76Å
279	E	90.1	Very high	90	Very high	90 Å²	90	48 Å²	48	42%	0.421	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-44.4	177.2	-171.9	-174.1	154	0	0	111.2	Q275 F281 I282 R283	Q275-E279 PolarHBondContact O-N 2.83Å; E279-F281 PolarHBondContact O-N 3.47Å; E279-I282 PolarHBondContact O-N 2.96Å; E279-R283 VanDerWaalsContact O-CB 3.3Å; E279-R283 WeakPolarHBondContact O-CB 3.5Å; E279-R283 PolarHBondContact O-N 3.02Å; E279-R283 IonicContact OE1-NH1 3.96Å
280	A	90	Very high	90.1	Very high	5 Å²	5	47.9 Å²	47.9	4%	0.041	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-40.6	177.9	0	0	0	0	0	112.3	F111 W115 P276 V277 T278 S284	F111-A280 HydrophobicContact CE2-CB 4.18Å; W115-A280 HydrophobicContact CZ2-CB 3.78Å; P276-A280 WeakPolarHBondContact O-CB 3.33Å; P276-A280 PolarHBondContact O-N 3.19Å; V277-A280 PolarHBondContact O-N 3.41Å; T278-A280 PolarHBondContact O-N 3.38Å; A280-S284 VanDerWaalsContact O-CB 3.31Å; A280-S284 WeakPolarHBondContact O-CB 3.11Å; A280-S284 PolarHBondContact O-N 3.21Å
281	F	93.2	Very high	90.3	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.009	25%	0.245	C	C	.	.	H	α-helix	trans	-63.5	-51.4	175.5	172.2	-95.7	0	0	0	111.3	L91 I93 L104 L108 F111 M120 L141 M143 V277 T278 E279 R283 S284 A285	L91-F281 HydrophobicContact CD2-CB 3.75Å; L91-F281 HydrophobicContact CD2-CD1 4.08Å; L91-F281 HydrophobicContact CD2-CD2 4Å; L91-F281 HydrophobicContact CD2-CG 3.64Å; I93-F281 HydrophobicContact CD1-CD2 4.28Å; I93-F281 HydrophobicContact CD1-CE1 4.05Å; I93-F281 HydrophobicContact CD1-CE2 3.72Å; I93-F281 HydrophobicContact CD1-CZ 3.57Å; L104-F281 HydrophobicContact CD1-CE2 4.33Å; L104-F281 HydrophobicContact CD1-CZ 4.03Å; L108-F281 HydrophobicContact CD2-CE2 3.63Å; L108-F281 HydrophobicContact CD2-CZ 4.46Å; F111-F281 HydrophobicContact CD1-CD2 4.47Å; F111-F281 HydrophobicContact CD2-CB 4Å; F111-F281 HydrophobicContact CD2-CD2 4.34Å; F111-F281 HydrophobicContact CE2-CB 3.69Å; F111-F281 HydrophobicContact CG-CD2 4.28Å; F111-F281 HydrophobicContact CZ-CB 4.17Å; M120-F281 HydrophobicContact CE-CD2 3.85Å; M120-F281 HydrophobicContact CE-CE2 3.6Å; L141-F281 HydrophobicContact CD1-CD1 3.52Å; L141-F281 HydrophobicContact CD1-CE1 3.71Å; L141-F281 HydrophobicContact CD2-CD1 4.38Å; L141-F281 HydrophobicContact CD2-CE1 3.71Å; L141-F281 HydrophobicContact CG-CE1 4.36Å; M143-F281 HydrophobicContact SD-CZ 4.39Å; V277-F281 WeakPolarHBondContact O-CB 3.41Å; V277-F281 PolarHBondContact O-N 2.91Å; T278-F281 PolarHBondContact O-N 3.35Å; E279-F281 PolarHBondContact O-N 3.47Å; F281-R283 VanDerWaalsContact C-N 3.28Å; F281-R283 PolarHBondContact O-N 2.98Å; F281-S284 PolarHBondContact O-N 3.29Å; F281-A285 WeakPolarHBondContact O-CB 3.14Å; F281-A285 PolarHBondContact O-N 3.26Å
282	I	93	Very high	90.8	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.036	24%	0.244	C	C	.	.	H	α-helix	trans	-57.3	-45.1	179.6	-67.6	170.2	0	0	0	110.3	L141 A266 V268 T278 E279 R286	L141-I282 HydrophobicContact CD1-CD1 3.98Å; L141-I282 HydrophobicContact CD1-CG1 3.6Å; A266-I282 HydrophobicContact CB-CD1 3.76Å; A266-I282 HydrophobicContact CB-CG1 3.63Å; A266-I282 HydrophobicContact CB-CG2 4.21Å; V268-I282 HydrophobicContact CG1-CD1 4.4Å; T278-I282 HydrophobicContact CG2-CD1 3.97Å; T278-I282 VanDerWaalsContact O-CG1 3.26Å; T278-I282 WeakPolarHBondContact O-CG1 3.01Å; T278-I282 PolarHBondContact O-N 2.76Å; E279-I282 PolarHBondContact O-N 2.96Å; I282-R286 VanDerWaalsContact O-CB 3.23Å; I282-R286 WeakPolarHBondContact O-CB 3.45Å; I282-R286 PolarHBondContact O-N 3.33Å
283	R	91.3	Very high	91	Very high	124 Å²	124	50.2 Å²	50.2	47%	0.468	24%	0.24	S	C	.	.	H	α-helix	trans	-63.9	-45.9	177.5	-178.1	174.5	59.2	-143.6	-4.4	112.2	E279 F281 R286 N287	E279-R283 VanDerWaalsContact O-CB 3.3Å; E279-R283 WeakPolarHBondContact O-CB 3.5Å; E279-R283 PolarHBondContact O-N 3.02Å; E279-R283 IonicContact OE1-NH1 3.96Å; F281-R283 VanDerWaalsContact C-N 3.28Å; F281-R283 PolarHBondContact O-N 2.98Å; R283-R286 PolarHBondContact O-N 3.27Å; R283-N287 WeakPolarHBondContact O-CB 3.42Å; R283-N287 PolarHBondContact O-N 3.33Å; R283-N287 PolarHBondContact O-OD1 2.85Å
284	S	91.6	Very high	91.4	Very high	24 Å²	24	50.6 Å²	50.6	17%	0.168	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-47.4	178.4	-171.5	0	0	0	0	111.4	A107 A280 F281 H288	A107-S284 PolarHBondContact O-OG 2.93Å; A280-S284 VanDerWaalsContact O-CB 3.31Å; A280-S284 WeakPolarHBondContact O-CB 3.11Å; A280-S284 PolarHBondContact O-N 3.21Å; F281-S284 PolarHBondContact O-N 3.29Å; S284-H288 WeakPolarHBondContact O-CB 3.3Å; S284-H288 PolarHBondContact O-N 2.83Å
285	A	93.4	Very high	91.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-65.4	-44	178.3	0	0	0	0	0	112.1	W103 L104 M158 F281 A289	W103-A285 HydrophobicContact CH2-CB 4.26Å; W103-A285 HydrophobicContact CZ3-CB 4.18Å; W103-A285 WeakPolarHBondContact CZ3-O 3.35Å; L104-A285 HydrophobicContact CD1-CB 3.91Å; M158-A285 HydrophobicContact CE-CB 3.56Å; F281-A285 WeakPolarHBondContact O-CB 3.14Å; F281-A285 PolarHBondContact O-N 3.26Å; A285-A289 WeakPolarHBondContact O-CB 3.41Å; A285-A289 PolarHBondContact O-N 2.98Å
286	R	93.7	Very high	92.3	Very high	36 Å²	36	42.9 Å²	42.9	14%	0.136	22%	0.218	C	C	.	.	H	α-helix	trans	-57.7	-51.9	175.6	179.5	-175.6	-56.9	136.7	9.5	111.6	P157 M158 I282 R283 A289 C290 E300	P157-R286 VanDerWaalsContact O-CZ 3.31Å; P157-R286 PolarHBondContact O-NE 2.93Å; P157-R286 PolarHBondContact O-NH2 2.84Å; M158-R286 WeakPolarHBondContact O-CD 3.42Å; M158-R286 VanDerWaalsContact O-CG 3.26Å; M158-R286 WeakPolarHBondContact O-CG 3.36Å; M158-R286 PolarHBondContact O-NE 2.94Å; I282-R286 VanDerWaalsContact O-CB 3.23Å; I282-R286 WeakPolarHBondContact O-CB 3.45Å; I282-R286 PolarHBondContact O-N 3.33Å; R283-R286 PolarHBondContact O-N 3.27Å; R286-A289 PolarHBondContact O-N 3.34Å; R286-C290 PolarHBondContact O-N 2.74Å; R286-C290 PolarHBondContact O-SG 2.79Å; R286-E300 IonicContact CZ-OE1 3.76Å; R286-E300 IonicContact NH1-OE1 2.77Å; R286-E300 PolarHBondContact NH1-OE1 3.12Å
287	N	92.3	Very high	92.6	Very high	79 Å²	79	44.4 Å²	44.4	42%	0.422	22%	0.218	S	C	.	.	H	α-helix	trans	-62.9	-47.9	-177.4	-69.5	-1.4	0	0	0	110.4	R283 A289 C290 D291	R283-N287 WeakPolarHBondContact O-CB 3.42Å; R283-N287 PolarHBondContact O-N 3.33Å; R283-N287 PolarHBondContact O-OD1 2.85Å; N287-A289 VanDerWaalsContact C-N 3.32Å; N287-A289 PolarHBondContact O-N 3.38Å; N287-C290 PolarHBondContact O-N 3.27Å; N287-D291 WeakPolarHBondContact O-CB 3.4Å; N287-D291 PolarHBondContact O-N 3.29Å
288	H	93.1	Very high	92.6	Very high	17 Å²	17	46.3 Å²	46.3	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-56.5	-46.4	178.5	-174.8	75.9	0	0	0	112.1	W103 A107 S284 D291 H292	W103-H288 PolarHBondContact O-CD2 3.26Å; W103-H288 PolarHBondContact O-NE2 3.17Å; A107-H288 HydrophobicContact CB-CB 3.49Å; A107-H288 VanDerWaalsContact CB-CB 3.49Å; S284-H288 WeakPolarHBondContact O-CB 3.3Å; S284-H288 PolarHBondContact O-N 2.83Å; H288-D291 PolarHBondContact O-N 2.79Å; H288-H292 AromaticContact CE1-CE1 3.84Å; H288-H292 AromaticContact CE1-CG 3.66Å; H288-H292 AromaticContact CE1-ND1 3.47Å; H288-H292 PolarHBondContact CE1-ND1 3.2Å; H288-H292 AromaticContact CG-ND1 3.88Å; H288-H292 AromaticContact ND1-CE1 3.57Å; H288-H292 AromaticContact ND1-CG 3.99Å; H288-H292 AromaticContact ND1-ND1 3.32Å; H288-H292 PolarHBondContact ND1-ND1 3.23Å; H288-H292 WeakPolarHBondContact O-CB 3.5Å; H288-H292 PolarHBondContact O-N 2.84Å; H288-H292 PolarHBondContact O-ND1 3.15Å
289	A	93.5	Very high	92.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-47.4	177.4	0	0	0	0	0	112.3	W103 F159 A285 R286 N287 D291 L293	W103-A289 HydrophobicContact CD2-CB 4.5Å; W103-A289 HydrophobicContact CE3-CB 3.95Å; W103-A289 HydrophobicContact CH2-CB 4.14Å; W103-A289 HydrophobicContact CZ3-CB 3.79Å; F159-A289 HydrophobicContact CD1-CB 3.52Å; F159-A289 HydrophobicContact CE1-CB 3.2Å; F159-A289 HydrophobicContact CE2-CB 4.48Å; F159-A289 HydrophobicContact CG-CB 4.3Å; F159-A289 HydrophobicContact CZ-CB 3.74Å; A285-A289 WeakPolarHBondContact O-CB 3.41Å; A285-A289 PolarHBondContact O-N 2.98Å; R286-A289 PolarHBondContact O-N 3.34Å; N287-A289 VanDerWaalsContact C-N 3.32Å; N287-A289 PolarHBondContact O-N 3.38Å; A289-D291 VanDerWaalsContact C-N 3.3Å; A289-D291 PolarHBondContact O-N 2.7Å; A289-L293 HydrophobicContact CB-CD1 3.95Å; A289-L293 WeakPolarHBondContact O-CB 3.45Å; A289-L293 WeakPolarHBondContact O-CG 3.21Å; A289-L293 PolarHBondContact O-N 3.5Å
290	C	93.5	Very high	90.8	Very high	39 Å²	39	49 Å²	49	26%	0.264	25%	0.246	S	C	.	.	H	α-helix	trans	-66.7	-31.1	-179.2	-64.7	0	0	0	0	113.1	R286 N287	R286-C290 PolarHBondContact O-N 2.74Å; R286-C290 PolarHBondContact O-SG 2.79Å; N287-C290 PolarHBondContact O-N 3.27Å
291	D	93.2	Very high	88.3	Confident	123 Å²	123	58.2 Å²	58.2	66%	0.658	28%	0.28	S	S	*	.	H	α-helix	trans	-83.4	-28.2	-176.9	-67	-19.3	0	0	0	112.9	N287 H288 A289	N287-D291 WeakPolarHBondContact O-CB 3.4Å; N287-D291 PolarHBondContact O-N 3.29Å; H288-D291 PolarHBondContact O-N 2.79Å; A289-D291 VanDerWaalsContact C-N 3.3Å; A289-D291 PolarHBondContact O-N 2.7Å
292	H	93.1	Very high	85.3	Confident	112 Å²	112	64.2 Å²	64.2	52%	0.519	32%	0.319	S	S	.	.	H	α-helix	trans	-119.4	-19.7	-168.8	-57.4	81.1	0	0	0	114.6	H288	H288-H292 AromaticContact CE1-CE1 3.84Å; H288-H292 AromaticContact CE1-CG 3.66Å; H288-H292 AromaticContact CE1-ND1 3.47Å; H288-H292 PolarHBondContact CE1-ND1 3.2Å; H288-H292 AromaticContact CG-ND1 3.88Å; H288-H292 AromaticContact ND1-CE1 3.57Å; H288-H292 AromaticContact ND1-CG 3.99Å; H288-H292 AromaticContact ND1-ND1 3.32Å; H288-H292 PolarHBondContact ND1-ND1 3.23Å; H288-H292 WeakPolarHBondContact O-CB 3.5Å; H288-H292 PolarHBondContact O-N 2.84Å; H288-H292 PolarHBondContact O-ND1 3.15Å
293	L	93.6	Very high	82.5	Confident	19 Å²	19	68.3 Å²	68.3	10%	0.099	34%	0.344	C	S	.	.			trans	-94.2	125.8	-177.6	-60.5	-178.3	0	0	0	111.7	W103 W240 A289 V296	W103-L293 HydrophobicContact CB-CD1 3.84Å; W103-L293 HydrophobicContact CB-CD2 3.7Å; W103-L293 HydrophobicContact CB-CG 4.19Å; W103-L293 HydrophobicContact CD2-CD1 3.95Å; W103-L293 HydrophobicContact CG-CD1 3.63Å; W103-L293 HydrophobicContact CG-CD2 4.4Å; W103-L293 HydrophobicContact CG-CG 4.49Å; W240-L293 HydrophobicContact CB-CD1 4.33Å; W240-L293 HydrophobicContact CB-CD2 3.85Å; W240-L293 HydrophobicContact CD2-CD1 4.23Å; W240-L293 HydrophobicContact CE3-CD1 3.88Å; W240-L293 HydrophobicContact CG-CD1 4.44Å; W240-L293 HydrophobicContact CZ3-CD1 4.44Å; A289-L293 HydrophobicContact CB-CD1 3.95Å; A289-L293 WeakPolarHBondContact O-CB 3.45Å; A289-L293 WeakPolarHBondContact O-CG 3.21Å; A289-L293 PolarHBondContact O-N 3.5Å; L293-V296 HydrophobicContact CB-CB 4.14Å; L293-V296 HydrophobicContact CB-CG2 3.58Å; L293-V296 HydrophobicContact CD1-CG2 4.19Å
294	P	93.5	Very high	79.5	Confident	41 Å²	41	72.8 Å²	72.8	27%	0.266	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	156.7	167.1	32.3	-37.8	0	0	0	110.6	H239 V296	H239-P294 WeakPolarHBondContact ND1-CG 3.21Å; P294-V296 PolarHBondContact O-N 2.65Å
295	F	94.8	Very high	76.7	Confident	82 Å²	82	78.8 Å²	78.8	36%	0.36	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	31.7	179.6	-47.8	-80.5	0	0	0	114.4	Y161 E162 H239 W261	Y161-F295 WeakPolarHBondContact CA-O 3.49Å; E162-F295 HydrophobicContact CB-CB 3.91Å; E162-F295 PolarHBondContact N-O 2.83Å; E162-F295 WeakPolarHBondContact OE2-CD1 3.36Å; H239-F295 HydrophobicContact CB-CB 4.26Å; H239-F295 HydrophobicContact CB-CD2 3.57Å; H239-F295 HydrophobicContact CB-CE2 4.34Å; H239-F295 HydrophobicContact CB-CG 4.26Å; H239-F295 AromaticContact CD2-CD2 3.65Å; H239-F295 AromaticContact CD2-CE2 3.49Å; H239-F295 VanDerWaalsContact CD2-CE2 3.49Å; H239-F295 WeakPolarHBondContact CD2-CE2 3.49Å; H239-F295 AromaticContact CE1-CE2 3.84Å; H239-F295 AromaticContact CG-CD2 3.29Å; H239-F295 AromaticContact CG-CE2 3.62Å; H239-F295 AromaticContact ND1-CD2 3.62Å; H239-F295 AromaticContact ND1-CE2 3.86Å; H239-F295 AromaticContact NE2-CE2 3.64Å; W261-F295 WeakPolarHBondContact CZ3-O 3.44Å
296	V	94.1	Very high	73.7	Confident	23 Å²	23	83 Å²	83	14%	0.139	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.4	173.1	171.3	0	0	0	0	110.1	F159 D160 W240 L293 P294	F159-V296 HydrophobicContact CB-CG1 3.72Å; F159-V296 HydrophobicContact CD2-CG1 3.58Å; F159-V296 HydrophobicContact CD2-CG2 4.26Å; F159-V296 HydrophobicContact CE2-CG1 4.35Å; F159-V296 HydrophobicContact CE2-CG2 4.38Å; F159-V296 HydrophobicContact CG-CG1 3.72Å; D160-V296 CarbonylContact O-C 3.47Å; D160-V296 VanDerWaalsContact O-CA 3.27Å; D160-V296 WeakPolarHBondContact O-CA 3.4Å; W240-V296 HydrophobicContact CE3-CG2 4.08Å; W240-V296 HydrophobicContact CZ3-CG2 3.81Å; L293-V296 HydrophobicContact CB-CB 4.14Å; L293-V296 HydrophobicContact CB-CG2 3.58Å; L293-V296 HydrophobicContact CD1-CG2 4.19Å; P294-V296 PolarHBondContact O-N 2.65Å
297	K	93.1	Very high	70.8	Confident	103 Å²	103	87 Å²	87	45%	0.448	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.7	176.1	-67.2	169.9	-179.9	162.7	0	109.8	F159 D160 W261 A299	F159-K297 CarbonylContact C-O 3.59Å; F159-K297 WeakPolarHBondContact CA-O 3.21Å; F159-K297 WeakPolarHBondContact CB-O 3.27Å; D160-K297 HydrophobicContact CB-CB 4.32Å; D160-K297 PolarHBondContact N-O 3.3Å; D160-K297 PolarHBondContact O-N 3.04Å; W261-K297 HydrophobicContact CE3-CD 4.05Å; W261-K297 HydrophobicContact CH2-CD 3.73Å; W261-K297 HydrophobicContact CH2-CG 3.95Å; W261-K297 HydrophobicContact CZ2-CD 4.25Å; W261-K297 HydrophobicContact CZ3-CB 4.35Å; W261-K297 HydrophobicContact CZ3-CD 3.6Å; W261-K297 HydrophobicContact CZ3-CG 3.73Å; K297-A299 PolarHBondContact O-N 3.28Å
298	S	89.1	Confident	68	Low	44 Å²	44	89.1 Å²	89.1	31%	0.308	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	132.2	173.9	175.1	0	0	0	0	111.1	E300	S298-E300 PolarHBondContact O-N 3.23Å; S298-E300 PolarHBondContact OG-N 3.18Å
299	A	80.1	Confident	65.1	Low	12 Å²	12	94.9 Å²	94.9	10%	0.099	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.4	178.7	0	0	0	0	0	113.6	P157 K297 R301	P157-A299 HydrophobicContact CB-CB 3.84Å; K297-A299 PolarHBondContact O-N 3.28Å; A299-R301 PolarHBondContact O-N 3.35Å
300	E	63.8	Low	62.2	Low	137 Å²	137	105 Å²	105	64%	0.64	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-3.4	178.9	-68.7	179.2	-177.3	0	0	113.3	R286 S298	R286-E300 IonicContact CZ-OE1 3.76Å; R286-E300 IonicContact NH1-OE1 2.77Å; R286-E300 PolarHBondContact NH1-OE1 3.12Å; S298-E300 PolarHBondContact O-N 3.23Å; S298-E300 PolarHBondContact OG-N 3.18Å
301	R	37.9	Very low	59.4	Low	198 Å²	198	109.1 Å²	109.1	75%	0.747	58%	0.575	S	S	*	*	S	Bend	trans	-99.5	121.7	168.1	-67.9	-178.5	-178.8	173.3	1.7	108.8	A299 T303	A299-R301 PolarHBondContact O-N 3.35Å; R301-T303 PolarHBondContact O-N 3.25Å
302	P	29.7	Very low	56.9	Low	128 Å²	128	106.9 Å²	106.9	83%	0.831	58%	0.58	S	S	*	*			trans	-69.1	96.6	174.4	14.9	-7.5	0	0	0	108.5	Y304	P302-Y304 PolarHBondContact O-N 3.07Å
303	T	33.7	Very low	54.1	Low	93 Å²	93	106.8 Å²	106.8	57%	0.571	59%	0.592	S	S	*	*			trans	-73.1	117.3	154.8	43.9	0	0	0	0	106.8	R301	R301-T303 PolarHBondContact O-N 3.25Å
304	Y	29.3	Very low	51.3	Low	217 Å²	217	111.7 Å²	111.7	85%	0.851	63%	0.625	S	S	*	*	S	Bend	trans	-40.5	144	168.1	-104.2	-110.3	0	0	0	110.8	P302	P302-Y304 PolarHBondContact O-N 3.07Å
305	D	31.8	Very low	48.9	Very low	151 Å²	151	114.6 Å²	114.6	81%	0.807	65%	0.653	S	S	*	*			trans	91.9	61.2	177.2	-54.8	-23.3	0	0	0	117.3
306	A	31.3	Very low	45.9	Very low	88 Å²	88	122.1 Å²	122.1	73%	0.727	68%	0.679	S	S	*	*			trans	-81.5	126.7	145	0	0	0	0	0	108.6	T308	A306-T308 PolarHBondContact O-N 3.12Å
307	P	33.1	Very low	43.5	Very low	120 Å²	120	132.9 Å²	132.9	78%	0.779	73%	0.734	S	S	*	*			trans	-69.7	106.5	174.6	21.5	-21.3	0	0	0	109.3	V309	P307-V309 PolarHBondContact O-N 3.08Å
308	T	32.9	Very low	41	Very low	125 Å²	125	134.4 Å²	134.4	77%	0.767	75%	0.748	S	S	*	*			trans	-63.5	101.5	164.7	39.9	0	0	0	0	108.9	A306 R310	A306-T308 PolarHBondContact O-N 3.12Å; T308-R310 PolarHBondContact O-N 2.98Å
309	V	32.3	Very low	38.5	Very low	138 Å²	138	139.1 Å²	139.1	84%	0.836	77%	0.772	S	S	*	*			trans	-68	97.7	163.9	-179.4	0	0	0	0	107.2	P307	P307-V309 PolarHBondContact O-N 3.08Å
310	R	33	Very low	36.2	Very low	213 Å²	213	146.2 Å²	146.2	80%	0.804	81%	0.809	S	S	*	*			trans	-63.6	137.4	166.6	-72.5	-176.7	179.6	-176.6	0.2	108.1	T308 G312	T308-R310 PolarHBondContact O-N 2.98Å; R310-G312 PolarHBondContact O-N 3.18Å
311	P	34.6	Very low	34.5	Very low	125 Å²	125	146.7 Å²	146.7	81%	0.812	82%	0.819	S	S	*	*			trans	-66.4	107.6	173.6	24.1	-24.8	0	0	0	108.2	S313	P311-S313 PolarHBondContact O-N 3.18Å
312	G	39	Very low	34.3	Very low	75 Å²	75	143.5 Å²	143.5	77%	0.773	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-65.2	120.2	169.6	0	0	0	0	0	109.4	R310	R310-G312 PolarHBondContact O-N 3.18Å
313	S	34.5	Very low	34.6	Very low	110 Å²	110	144.5 Å²	144.5	77%	0.769	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-47	149.1	172.6	-71	0	0	0	0	112.9	P311 A315	P311-S313 PolarHBondContact O-N 3.18Å; S313-A315 PolarHBondContact O-N 2.79Å
314	P	34.6	Very low	34.7	Very low	123 Å²	123	148.2 Å²	148.2	80%	0.799	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-67.5	123.5	174.1	29.8	-31.2	0	0	0	108.7	R316	P314-R316 PolarHBondContact O-N 2.59Å
315	A	44.1	Very low	35.1	Very low	102 Å²	102	142.9 Å²	142.9	84%	0.843	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-67.1	120	165.5	0	0	0	0	0	108.1	S313	S313-A315 PolarHBondContact O-N 2.79Å
316	R	32.1	Very low	35.4	Very low	239 Å²	239	142.3 Å²	142.3	90%	0.902	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-69.6	120	164.3	-73	179	171.5	-155.8	-2.2	108.6	P314	P314-R316 PolarHBondContact O-N 2.59Å
317	L	43.3	Very low	35.8	Very low	249 Å²	249	147.2 Å²	147.2	100%	1.304	85%	0.853	S	S	*	*			trans	177.5	0	130.9	-94.1	161.8	0	0	0	108.8

Retrieved 317 of 317 residues in 2311.2 ms (Link to these results)

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