A0A077Z0Q2_TRITR Loading...

Diphthamide syn domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0Q2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 322 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	S	35.1	Very low	54.3	Low	142 Å²	142	104.6 Å²	104.6	99%	0.993	53%	0.526	S	S	*	.				0	119.7	0	46.1	0	0	0	0	108.6
2	S	43.4	Very low	55.5	Low	74 Å²	74	96.8 Å²	96.8	52%	0.517	49%	0.49	S	S	.	.			trans	-78.1	130.3	170.8	18	0	0	0	0	108.6
3	R	47.3	Very low	56.3	Low	176 Å²	176	89.9 Å²	89.9	66%	0.664	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.3	165.1	-74.6	-173.7	-175.8	-179.5	1.2	107.1	Y14	R3-Y14 PolarHBondContact O-N 2.84Å; R3-Y14 VanDerWaalsContact O-N 3.1Å
4	C	53.9	Low	56.4	Low	41 Å²	41	90.4 Å²	90.4	28%	0.277	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	122.5	166.5	-70.5	0	0	0	0	108.1	F6 A12	C4-F6 HydrophobicContact CB-CE2 4.3Å; C4-F6 HydrophobicContact CB-CZ 4.22Å; C4-A12 CarbonylContact C-O 3.54Å; C4-A12 WeakPolarHBondContact CA-O 3.42Å
5	H	53.7	Low	56.6	Low	101 Å²	101	86.8 Å²	86.8	47%	0.468	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.2	170.9	-74.3	-74.8	0	0	0	108.7	A12 Y14	H5-A12 HydrophobicContact CB-CB 4.42Å; H5-A12 PolarHBondContact N-O 3.43Å; H5-A12 PolarHBondContact O-N 3.29Å; H5-Y14 AromaticContact CD2-CD2 3.91Å; H5-Y14 AromaticContact CD2-CE2 3.69Å
6	F	52.7	Low	55.8	Low	112 Å²	112	95.7 Å²	95.7	49%	0.491	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	114.3	174.7	-60.6	-75.9	0	0	0	108.3	C4 I10 C11 I29 A33 C35	C4-F6 HydrophobicContact CB-CE2 4.3Å; C4-F6 HydrophobicContact CB-CZ 4.22Å; F6-I10 WeakPolarHBondContact CA-O 3.47Å; F6-C11 HydrophobicContact CD1-CB 4.32Å; F6-C11 HydrophobicContact CE1-CB 4.09Å; F6-C11 VanDerWaalsContact CE1-SG 3.57Å; F6-I29 HydrophobicContact CZ-CG2 4.44Å; F6-A33 HydrophobicContact CD1-CB 3.92Å; F6-A33 HydrophobicContact CE1-CB 3.18Å; F6-A33 HydrophobicContact CZ-CB 3.65Å; F6-C35 VanDerWaalsContact CD1-SG 3.59Å
7	V	51.3	Low	54.9	Low	106 Å²	106	92.9 Å²	92.9	64%	0.642	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	118	166.9	179.7	0	0	0	0	104.6	N9 I10	V7-N9 PolarHBondContact O-N 2.74Å; V7-I10 PolarHBondContact N-O 3.35Å; V7-I10 VanDerWaalsContact N-O 3.12Å; V7-I10 PolarHBondContact O-N 3Å
8	R	54	Low	54.3	Low	243 Å²	243	91.7 Å²	91.7	92%	0.917	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-18.7	98.5	-172	-77.3	-178.4	174.4	168	-2.2	112.4
9	N	67.8	Low	53.7	Low	91 Å²	91	89.9 Å²	89.9	49%	0.487	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.5	-3.7	-179.2	-56.2	10.2	0	0	0	119.5	V7 C35 D36	V7-N9 PolarHBondContact O-N 2.74Å; N9-C35 CarbonylContact O-C 3.5Å; N9-D36 HydrophobicContact CB-CB 4.32Å; N9-D36 WeakPolarHBondContact CB-OD2 3.45Å; N9-D36 PolarHBondContact ND2-OD2 3.43Å; N9-D36 PolarHBondContact O-N 3.01Å
10	I	68.5	Low	53.5	Low	64 Å²	64	89 Å²	89	33%	0.328	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.7	-179.9	-56.1	179.7	0	0	0	109.5	F6 V7 I39	F6-I10 WeakPolarHBondContact CA-O 3.47Å; V7-I10 PolarHBondContact N-O 3.35Å; V7-I10 VanDerWaalsContact N-O 3.12Å; V7-I10 PolarHBondContact O-N 3Å; I10-I39 HydrophobicContact CG2-CD1 3.81Å; I10-I39 HydrophobicContact CG2-CG1 4.02Å
11	C	70.1	Confident	53.7	Low	1 Å²	1	89.3 Å²	89.3	1%	0.007	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.9	166.7	-167.2	0	0	0	0	109.6	F6 A30 C35 C37 L38 I39	F6-C11 HydrophobicContact CD1-CB 4.32Å; F6-C11 HydrophobicContact CE1-CB 4.09Å; F6-C11 VanDerWaalsContact CE1-SG 3.57Å; C11-A30 HydrophobicContact CB-CB 3.63Å; C11-C35 HydrophobicContact CB-CB 3.95Å; C11-C37 PolarHBondContact N-O 3.3Å; C11-L38 HydrophobicContact CB-CD1 3.9Å; C11-L38 CarbonylContact O-C 3.46Å; C11-L38 WeakPolarHBondContact O-CA 3.43Å; C11-I39 PolarHBondContact O-N 2.86Å
12	A	67.9	Low	55	Low	11 Å²	11	85.9 Å²	85.9	9%	0.091	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	113.1	172.6	0	0	0	0	0	110	C4 H5 Y14 I39 F41	C4-A12 CarbonylContact C-O 3.54Å; C4-A12 WeakPolarHBondContact CA-O 3.42Å; H5-A12 HydrophobicContact CB-CB 4.42Å; H5-A12 PolarHBondContact N-O 3.43Å; H5-A12 PolarHBondContact O-N 3.29Å; A12-Y14 HydrophobicContact CB-CE2 3.79Å; A12-I39 CarbonylContact C-O 3.56Å; A12-I39 WeakPolarHBondContact CA-O 3.44Å; A12-F41 HydrophobicContact CB-CE2 4.08Å
13	S	65.9	Low	56.6	Low	7 Å²	7	82.9 Å²	82.9	5%	0.049	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.4	177.5	66.4	0	0	0	0	111.1	I39 H40 F41	S13-I39 PolarHBondContact N-O 3.45Å; S13-H40 PolarHBondContact OG-ND1 3.16Å; S13-F41 PolarHBondContact O-N 2.97Å
14	Y	58.7	Low	58	Low	96 Å²	96	76.1 Å²	76.1	38%	0.376	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.4	177.7	-67.3	-90.5	0	0	0	111.6	R3 H5 A12 F41	R3-Y14 PolarHBondContact O-N 2.84Å; R3-Y14 VanDerWaalsContact O-N 3.1Å; H5-Y14 AromaticContact CD2-CD2 3.91Å; H5-Y14 AromaticContact CD2-CE2 3.69Å; A12-Y14 HydrophobicContact CB-CE2 3.79Å; Y14-F41 HydrophobicContact CD1-CB 3.89Å; Y14-F41 AromaticContact CD1-CD2 3.83Å; Y14-F41 HydrophobicContact CD1-CD2 3.83Å; Y14-F41 AromaticContact CD1-CG 3.88Å; Y14-F41 HydrophobicContact CD1-CG 3.88Å; Y14-F41 HydrophobicContact CD2-CD2 4.5Å; Y14-F41 HydrophobicContact CE1-CB 4.19Å; Y14-F41 HydrophobicContact CE1-CD1 4.12Å; Y14-F41 AromaticContact CE1-CD2 3.47Å; Y14-F41 HydrophobicContact CE1-CD2 3.47Å; Y14-F41 VanDerWaalsContact CE1-CD2 3.47Å; Y14-F41 HydrophobicContact CE1-CE1 4.35Å; Y14-F41 AromaticContact CE1-CE2 3.77Å; Y14-F41 HydrophobicContact CE1-CE2 3.77Å; Y14-F41 AromaticContact CE1-CG 3.66Å; Y14-F41 HydrophobicContact CE1-CG 3.66Å; Y14-F41 HydrophobicContact CE1-CZ 4.2Å; Y14-F41 HydrophobicContact CE2-CD2 4.19Å; Y14-F41 HydrophobicContact CE2-CE2 4.22Å; Y14-F41 HydrophobicContact CG-CD2 4.34Å; Y14-F41 AromaticContact CZ-CD2 3.68Å; Y14-F41 AromaticContact CZ-CE2 3.58Å
15	F	59.1	Low	59.3	Low	37 Å²	37	74.5 Å²	74.5	16%	0.162	37%	0.368	C	S	.	.			trans	-117.1	114.6	171.5	-64.3	-79.8	0	0	0	110.3	N22 H40	F15-N22 HydrophobicContact CD1-CB 3.42Å; F15-N22 VanDerWaalsContact CD1-CB 3.42Å; F15-N22 HydrophobicContact CE1-CB 3.34Å; F15-N22 HydrophobicContact CG-CB 4.24Å; F15-N22 HydrophobicContact CZ-CB 4.11Å; F15-H40 AromaticContact CD2-CE1 3.35Å; F15-H40 WeakPolarHBondContact CD2-CE1 3.31Å; F15-H40 AromaticContact CD2-ND1 3.87Å; F15-H40 AromaticContact CE2-CE1 3.54Å; F15-H40 AromaticContact CE2-ND1 3.78Å
16	R	43.1	Very low	60.5	Low	229 Å²	229	72.1 Å²	72.1	86%	0.864	36%	0.359	S	S	*	.			trans	-95.2	-13.8	-179.9	-102.4	-176.8	175	178.9	-1.3	114
17	S	40.3	Very low	61.8	Low	48 Å²	48	66.8 Å²	66.8	34%	0.336	34%	0.335	S	S	.	.			trans	-93.3	133.8	-168.8	56.9	0	0	0	0	112.3	S19	S17-S19 VanDerWaalsContact CB-OG 3.31Å; S17-S19 WeakPolarHBondContact CB-OG 3.37Å; S17-S19 PolarHBondContact O-N 3.32Å; S17-S19 PolarHBondContact OG-OG 2.94Å
18	V	44.3	Very low	63.2	Low	71 Å²	71	62.3 Å²	62.3	43%	0.43	31%	0.308	S	S	.	.			trans	-71.5	-5.6	167.8	-167.5	0	0	0	0	111.2
19	S	43.5	Very low	64.4	Low	58 Å²	58	54 Å²	54	41%	0.406	28%	0.281	S	S	.	.	S	Bend	trans	-68.5	147.6	-179.3	61	0	0	0	0	112	S17 E21	S17-S19 VanDerWaalsContact CB-OG 3.31Å; S17-S19 WeakPolarHBondContact CB-OG 3.37Å; S17-S19 PolarHBondContact O-N 3.32Å; S17-S19 PolarHBondContact OG-OG 2.94Å; S19-E21 PolarHBondContact O-N 3.11Å
20	S	50.6	Low	65.1	Low	71 Å²	71	49.7 Å²	49.7	50%	0.497	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-3	179.5	48	0	0	0	0	115.5
21	E	56.1	Low	65.6	Low	97 Å²	97	51 Å²	51	45%	0.453	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-19.5	-159.5	-57.5	-163.2	155.3	0	0	114.8	S19 R209	S19-E21 PolarHBondContact O-N 3.11Å; E21-R209 IonicContact OE1-CZ 2.99Å; E21-R209 IonicContact OE1-NH2 2.65Å; E21-R209 PolarHBondContact OE1-NH2 3.34Å; E21-R209 IonicContact OE2-CZ 3.56Å; E21-R209 VanDerWaalsContact OE2-CZ 3.29Å; E21-R209 IonicContact OE2-NH1 3.73Å; E21-R209 PolarHBondContact OE2-NH1 3Å; E21-R209 IonicContact OE2-NH2 2.8Å; E21-R209 PolarHBondContact OE2-NH2 3.44Å
22	N	63.8	Low	66.2	Low	69 Å²	69	58.3 Å²	58.3	37%	0.369	30%	0.295	S	S	.	.			trans	-151.4	60.1	-175.7	-70.1	-53.1	0	0	0	113.9	F15	F15-N22 HydrophobicContact CD1-CB 3.42Å; F15-N22 VanDerWaalsContact CD1-CB 3.42Å; F15-N22 HydrophobicContact CE1-CB 3.34Å; F15-N22 HydrophobicContact CG-CB 4.24Å; F15-N22 HydrophobicContact CZ-CB 4.11Å
23	C	75.3	Confident	66.9	Low	11 Å²	11	59.8 Å²	59.8	7%	0.074	31%	0.307	C	S	.	.			trans	-84.3	-14.4	172.8	60.2	0	0	0	0	113.8	C44 C45	C23-C44 CarbonylContact O-C 3.41Å; C23-C44 VanDerWaalsContact O-CA 3.29Å; C23-C44 WeakPolarHBondContact O-CA 3.31Å; C23-C45 HydrophobicContact CB-CB 4.06Å; C23-C45 PolarHBondContact O-N 3Å; C23-C45 PolarHBondContact O-SG 3.48Å
24	C	77.6	Confident	67.8	Low	34 Å²	34	66.2 Å²	66.2	23%	0.23	34%	0.34	C	S	.	.	S	Bend	trans	-85	148.9	-178.3	-67.7	0	0	0	0	112.6	C45 C229	C24-C45 PolarHBondContact SG-SG 3.33Å; C24-C229 WeakPolarHBondContact SG-CB 3.16Å
25	V	80.9	Confident	69.1	Low	8 Å²	8	62.1 Å²	62.1	5%	0.048	33%	0.326	C	S	.	.			trans	-74.8	126.5	165.3	178.8	0	0	0	0	108.6	E27 L38 H40 T49 V55 I57 T180	V25-E27 HydrophobicContact CG1-CG 4.22Å; V25-L38 HydrophobicContact CG1-CD2 3.36Å; V25-L38 HydrophobicContact CG1-CG 4.35Å; V25-H40 HydrophobicContact CG2-CB 4.21Å; V25-T49 HydrophobicContact CB-CG2 4.11Å; V25-V55 HydrophobicContact CB-CG1 4.45Å; V25-V55 HydrophobicContact CG1-CB 4.46Å; V25-V55 HydrophobicContact CG1-CG1 3.63Å; V25-V55 HydrophobicContact CG1-CG2 3.95Å; V25-V55 HydrophobicContact CG2-CG1 4.06Å; V25-I57 HydrophobicContact CG2-CD1 4.34Å; V25-I57 HydrophobicContact CG2-CG1 4.32Å; V25-T180 PolarHBondContact O-OG1 3.01Å; V25-T180 VanDerWaalsContact O-OG1 3.08Å
26	D	78.7	Confident	70.5	Confident	51 Å²	51	65.2 Å²	65.2	27%	0.273	34%	0.344	S	S	.	.			trans	-104.2	84.5	176.2	-169.6	-5.7	0	0	0	110.7	T28 I29	D26-T28 PolarHBondContact O-N 3.46Å; D26-T28 WeakPolarHBondContact OD1-CB 3.21Å; D26-T28 PolarHBondContact OD1-N 3.4Å; D26-T28 VanDerWaalsContact OD1-N 3.08Å; D26-T28 PolarHBondContact OD1-OG1 2.99Å; D26-I29 HydrophobicContact CB-CD1 4.33Å; D26-I29 WeakPolarHBondContact OD2-CD1 3.17Å
27	E	81	Confident	72.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-59.2	-25.7	173.9	-50.4	179	155	0	0	112.3	V25 I29 A30 E31 T49 S50 E51 L52 I53 V55 T180	V25-E27 HydrophobicContact CG1-CG 4.22Å; E27-I29 VanDerWaalsContact C-N 3.28Å; E27-I29 PolarHBondContact O-N 2.92Å; E27-A30 PolarHBondContact O-N 3.24Å; E27-E31 WeakPolarHBondContact O-CB 3.36Å; E27-E31 PolarHBondContact O-N 2.88Å; E27-T49 WeakPolarHBondContact OE1-CB 3.31Å; E27-T49 PolarHBondContact OE1-OG1 3.07Å; E27-S50 PolarHBondContact OE2-OG 3.12Å; E27-E51 PolarHBondContact OE1-N 3.45Å; E27-E51 PolarHBondContact OE2-N 2.95Å; E27-L52 PolarHBondContact OE2-N 2.76Å; E27-I53 HydrophobicContact CB-CG1 4.34Å; E27-V55 HydrophobicContact CG-CG2 4.14Å; E27-T180 HydrophobicContact CB-CG2 3.59Å; E27-T180 HydrophobicContact CG-CG2 4.07Å
28	T	80.5	Confident	74.9	Confident	12 Å²	12	53.7 Å²	53.7	7%	0.074	30%	0.298	C	S	.	.	H	α-helix	trans	-66.5	-30.9	-174.1	72.2	0	0	0	0	112.9	D26 K32 L179 T180	D26-T28 PolarHBondContact O-N 3.46Å; D26-T28 WeakPolarHBondContact OD1-CB 3.21Å; D26-T28 PolarHBondContact OD1-N 3.4Å; D26-T28 VanDerWaalsContact OD1-N 3.08Å; D26-T28 PolarHBondContact OD1-OG1 2.99Å; T28-K32 VanDerWaalsContact O-CB 3.28Å; T28-K32 WeakPolarHBondContact O-CB 3.3Å; T28-K32 WeakPolarHBondContact O-CD 3.47Å; T28-K32 WeakPolarHBondContact O-CG 3.29Å; T28-K32 PolarHBondContact O-N 3.35Å; T28-L179 HydrophobicContact CG2-CB 3.88Å; T28-L179 HydrophobicContact CG2-CD1 4.42Å; T28-T180 HydrophobicContact CG2-CG2 3.47Å; T28-T180 VanDerWaalsContact CG2-CG2 3.47Å
29	I	78.5	Confident	77	Confident	68 Å²	68	51.9 Å²	51.9	35%	0.349	29%	0.285	S	S	.	.	H	α-helix	trans	-70	-43.1	177.5	-65.6	173.2	0	0	0	109.9	F6 D26 E27 A33	F6-I29 HydrophobicContact CZ-CG2 4.44Å; D26-I29 HydrophobicContact CB-CD1 4.33Å; D26-I29 WeakPolarHBondContact OD2-CD1 3.17Å; E27-I29 VanDerWaalsContact C-N 3.28Å; E27-I29 PolarHBondContact O-N 2.92Å; I29-A33 WeakPolarHBondContact O-CB 3.35Å; I29-A33 PolarHBondContact O-N 3.18Å; I29-A33 VanDerWaalsContact O-N 3.15Å
30	A	82.1	Confident	79	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-69.1	-40.9	179.2	0	0	0	0	0	111.5	C11 E27 A33 N34 C35 L38 I53	C11-A30 HydrophobicContact CB-CB 3.63Å; E27-A30 PolarHBondContact O-N 3.24Å; A30-A33 CarbonylContact O-C 3.53Å; A30-A33 PolarHBondContact O-N 2.94Å; A30-N34 PolarHBondContact O-N 2.96Å; A30-C35 HydrophobicContact CB-CB 4.2Å; A30-C35 WeakPolarHBondContact O-CB 3.5Å; A30-C35 PolarHBondContact O-N 3.4Å; A30-L38 HydrophobicContact CB-CB 4.01Å; A30-L38 HydrophobicContact CB-CD1 4.29Å; A30-L38 HydrophobicContact CB-CD2 4.37Å; A30-L38 HydrophobicContact CB-CG 4.46Å; A30-I53 HydrophobicContact CB-CD1 3.27Å
31	E	79.9	Confident	80.7	Confident	92 Å²	92	48.3 Å²	48.3	43%	0.43	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-50.7	173.8	-176.4	-171.8	-158.6	0	0	111.3	E27 A33 N34	E27-E31 WeakPolarHBondContact O-CB 3.36Å; E27-E31 PolarHBondContact O-N 2.88Å; E31-A33 PolarHBondContact O-N 3.3Å; E31-A33 VanDerWaalsContact O-N 3.14Å; E31-N34 WeakPolarHBondContact O-CA 3.49Å; E31-N34 PolarHBondContact O-N 3.38Å
32	K	82.1	Confident	81.9	Confident	155 Å²	155	44.1 Å²	44.1	67%	0.674	24%	0.237	S	C	*	.	H	α-helix	trans	-61.3	-25.3	178.3	-76.7	173.3	-178.3	175.2	0	113.5	T28 N34	T28-K32 VanDerWaalsContact O-CB 3.28Å; T28-K32 WeakPolarHBondContact O-CB 3.3Å; T28-K32 WeakPolarHBondContact O-CD 3.47Å; T28-K32 WeakPolarHBondContact O-CG 3.29Å; T28-K32 PolarHBondContact O-N 3.35Å; K32-N34 VanDerWaalsContact C-N 3.33Å
33	A	83.8	Confident	82.6	Confident	42 Å²	42	42.2 Å²	42.2	35%	0.347	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	7.3	175.9	0	0	0	0	0	113.2	F6 I29 A30 E31 C35	F6-A33 HydrophobicContact CD1-CB 3.92Å; F6-A33 HydrophobicContact CE1-CB 3.18Å; F6-A33 HydrophobicContact CZ-CB 3.65Å; I29-A33 WeakPolarHBondContact O-CB 3.35Å; I29-A33 PolarHBondContact O-N 3.18Å; I29-A33 VanDerWaalsContact O-N 3.15Å; A30-A33 CarbonylContact O-C 3.53Å; A30-A33 PolarHBondContact O-N 2.94Å; E31-A33 PolarHBondContact O-N 3.3Å; E31-A33 VanDerWaalsContact O-N 3.14Å; A33-C35 VanDerWaalsContact C-N 3.28Å; A33-C35 PolarHBondContact O-N 3.32Å
34	N	84.6	Confident	82.9	Confident	141 Å²	141	41.9 Å²	41.9	75%	0.754	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	45.3	-176.5	-61.1	-42.3	0	0	0	112.6	A30 E31 K32	A30-N34 PolarHBondContact O-N 2.96Å; E31-N34 WeakPolarHBondContact O-CA 3.49Å; E31-N34 PolarHBondContact O-N 3.38Å; K32-N34 VanDerWaalsContact C-N 3.33Å
35	C	86.1	Confident	82.8	Confident	11 Å²	11	40.8 Å²	40.8	7%	0.074	22%	0.217	C	C	.	.			trans	-85.4	140.6	175.1	-63.4	0	0	0	0	110.7	F6 N9 C11 A30 A33 C37	F6-C35 VanDerWaalsContact CD1-SG 3.59Å; N9-C35 CarbonylContact O-C 3.5Å; C11-C35 HydrophobicContact CB-CB 3.95Å; A30-C35 HydrophobicContact CB-CB 4.2Å; A30-C35 WeakPolarHBondContact O-CB 3.5Å; A30-C35 PolarHBondContact O-N 3.4Å; A33-C35 VanDerWaalsContact C-N 3.28Å; A33-C35 PolarHBondContact O-N 3.32Å; C35-C37 VanDerWaalsContact C-N 3.27Å; C35-C37 PolarHBondContact O-N 2.94Å
36	D	87.7	Confident	82.6	Confident	101 Å²	101	46.1 Å²	46.1	54%	0.54	24%	0.236	S	C	.	.	S	Bend	trans	-73.4	-23.4	176.6	-64.8	-27.1	0	0	0	111.5	N9 P54	N9-D36 HydrophobicContact CB-CB 4.32Å; N9-D36 WeakPolarHBondContact CB-OD2 3.45Å; N9-D36 PolarHBondContact ND2-OD2 3.43Å; N9-D36 PolarHBondContact O-N 3.01Å; D36-P54 WeakPolarHBondContact O-CD 3.41Å
37	C	88.9	Confident	82.4	Confident	33 Å²	33	44.6 Å²	44.6	22%	0.223	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	165.7	176.5	68.1	0	0	0	0	112.9	C11 C35 P54	C11-C37 PolarHBondContact N-O 3.3Å; C35-C37 VanDerWaalsContact C-N 3.27Å; C35-C37 PolarHBondContact O-N 2.94Å; C37-P54 WeakPolarHBondContact CA-O 3.47Å; C37-P54 HydrophobicContact CB-CB 4.15Å; C37-P54 WeakPolarHBondContact CB-O 3.38Å
38	L	86.6	Confident	82.2	Confident	2 Å²	2	48 Å²	48	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.8	176.2	173.2	61.2	0	0	0	110.9	C11 V25 A30 I53 P54 V55 L56	C11-L38 HydrophobicContact CB-CD1 3.9Å; C11-L38 CarbonylContact O-C 3.46Å; C11-L38 WeakPolarHBondContact O-CA 3.43Å; V25-L38 HydrophobicContact CG1-CD2 3.36Å; V25-L38 HydrophobicContact CG1-CG 4.35Å; A30-L38 HydrophobicContact CB-CB 4.01Å; A30-L38 HydrophobicContact CB-CD1 4.29Å; A30-L38 HydrophobicContact CB-CD2 4.37Å; A30-L38 HydrophobicContact CB-CG 4.46Å; L38-I53 HydrophobicContact CB-CD1 3.7Å; L38-P54 PolarHBondContact N-O 3.5Å; L38-V55 HydrophobicContact CB-CG2 4.4Å; L38-V55 CarbonylContact O-C 3.54Å; L38-V55 WeakPolarHBondContact O-CA 3.28Å; L38-L56 PolarHBondContact O-N 3.44Å
39	I	89.1	Confident	82.1	Confident	33 Å²	33	48.5 Å²	48.5	17%	0.169	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.9	171.7	-52.5	180	0	0	0	109	I10 C11 A12 S13 F41 L56 I58	I10-I39 HydrophobicContact CG2-CD1 3.81Å; I10-I39 HydrophobicContact CG2-CG1 4.02Å; C11-I39 PolarHBondContact O-N 2.86Å; A12-I39 CarbonylContact C-O 3.56Å; A12-I39 WeakPolarHBondContact CA-O 3.44Å; S13-I39 PolarHBondContact N-O 3.45Å; I39-F41 HydrophobicContact CB-CE2 4.1Å; I39-F41 HydrophobicContact CG2-CD2 4.04Å; I39-F41 HydrophobicContact CG2-CE1 4.41Å; I39-F41 HydrophobicContact CG2-CE2 3.43Å; I39-F41 VanDerWaalsContact CG2-CE2 3.43Å; I39-F41 HydrophobicContact CG2-CZ 3.65Å; I39-L56 CarbonylContact C-O 3.6Å; I39-L56 WeakPolarHBondContact CA-O 3.36Å; I39-L56 HydrophobicContact CG1-CB 4.41Å; I39-L56 HydrophobicContact CG2-CD2 4.49Å; I39-I58 HydrophobicContact CG2-CD1 3.56Å; I39-I58 HydrophobicContact CG2-CG1 4.02Å
40	H	85.4	Confident	82.1	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.7	178.3	-175.7	98	0	0	0	111	S13 F15 V25 D43 L56 I57 I58	S13-H40 PolarHBondContact OG-ND1 3.16Å; F15-H40 AromaticContact CD2-CE1 3.35Å; F15-H40 WeakPolarHBondContact CD2-CE1 3.31Å; F15-H40 AromaticContact CD2-ND1 3.87Å; F15-H40 AromaticContact CE2-CE1 3.54Å; F15-H40 AromaticContact CE2-ND1 3.78Å; V25-H40 HydrophobicContact CG2-CB 4.21Å; H40-D43 PolarHBondContact NE2-O 3.1Å; H40-L56 PolarHBondContact N-O 2.69Å; H40-I57 HydrophobicContact CB-CG1 4.39Å; H40-I58 PolarHBondContact O-N 2.58Å
41	F	85.8	Confident	82.1	Confident	54 Å²	54	53.7 Å²	53.7	24%	0.237	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	132.8	177.5	-67.8	-90.8	0	0	0	112.1	A12 S13 Y14 I39 I58	A12-F41 HydrophobicContact CB-CE2 4.08Å; S13-F41 PolarHBondContact O-N 2.97Å; Y14-F41 HydrophobicContact CD1-CB 3.89Å; Y14-F41 AromaticContact CD1-CD2 3.83Å; Y14-F41 HydrophobicContact CD1-CD2 3.83Å; Y14-F41 AromaticContact CD1-CG 3.88Å; Y14-F41 HydrophobicContact CD1-CG 3.88Å; Y14-F41 HydrophobicContact CD2-CD2 4.5Å; Y14-F41 HydrophobicContact CE1-CB 4.19Å; Y14-F41 HydrophobicContact CE1-CD1 4.12Å; Y14-F41 AromaticContact CE1-CD2 3.47Å; Y14-F41 HydrophobicContact CE1-CD2 3.47Å; Y14-F41 VanDerWaalsContact CE1-CD2 3.47Å; Y14-F41 HydrophobicContact CE1-CE1 4.35Å; Y14-F41 AromaticContact CE1-CE2 3.77Å; Y14-F41 HydrophobicContact CE1-CE2 3.77Å; Y14-F41 AromaticContact CE1-CG 3.66Å; Y14-F41 HydrophobicContact CE1-CG 3.66Å; Y14-F41 HydrophobicContact CE1-CZ 4.2Å; Y14-F41 HydrophobicContact CE2-CD2 4.19Å; Y14-F41 HydrophobicContact CE2-CE2 4.22Å; Y14-F41 HydrophobicContact CG-CD2 4.34Å; Y14-F41 AromaticContact CZ-CD2 3.68Å; Y14-F41 AromaticContact CZ-CE2 3.58Å; I39-F41 HydrophobicContact CB-CE2 4.1Å; I39-F41 HydrophobicContact CG2-CD2 4.04Å; I39-F41 HydrophobicContact CG2-CE1 4.41Å; I39-F41 HydrophobicContact CG2-CE2 3.43Å; I39-F41 VanDerWaalsContact CG2-CE2 3.43Å; I39-F41 HydrophobicContact CG2-CZ 3.65Å; F41-I58 WeakPolarHBondContact CA-O 3.33Å; F41-I58 HydrophobicContact CD1-CB 3.87Å; F41-I58 HydrophobicContact CD1-CD1 4.16Å; F41-I58 HydrophobicContact CD1-CG2 3.96Å; F41-I58 HydrophobicContact CE1-CB 4.09Å; F41-I58 HydrophobicContact CE1-CD1 3.49Å; F41-I58 VanDerWaalsContact CE1-CD1 3.49Å; F41-I58 HydrophobicContact CE1-CG1 4.32Å; F41-I58 HydrophobicContact CE1-CG2 4.1Å; F41-I58 HydrophobicContact CZ-CD1 3.79Å
42	G	82.2	Confident	82.3	Confident	10 Å²	10	53.8 Å²	53.8	10%	0.103	29%	0.285	C	S	.	.	S	Bend	trans	103.2	-147.8	169.9	0	0	0	0	0	113.9	I58	G42-I58 PolarHBondContact N-O 2.94Å
43	D	78.3	Confident	82.4	Confident	29 Å²	29	47.4 Å²	47.4	16%	0.155	26%	0.258	C	S	.	.			trans	-67.7	131.8	-178.4	-72.6	-39.9	0	0	0	111	H40 Q94 R95	H40-D43 PolarHBondContact NE2-O 3.1Å; D43-Q94 PolarHBondContact OD1-NE2 2.62Å; D43-R95 WeakPolarHBondContact OD1-CG 3.43Å
44	C	80.3	Confident	82.6	Confident	4 Å²	4	49.8 Å²	49.8	3%	0.027	27%	0.27	C	S	.	.			trans	-137.9	135.2	-179	-173.3	0	0	0	0	111.1	C23 R46 I57 Q94 R122	C23-C44 CarbonylContact O-C 3.41Å; C23-C44 VanDerWaalsContact O-CA 3.29Å; C23-C44 WeakPolarHBondContact O-CA 3.31Å; C44-R46 HydrophobicContact CB-CG 4.48Å; C44-R46 PolarHBondContact O-N 2.87Å; C44-R46 PolarHBondContact SG-N 3.26Å; C44-R46 VanDerWaalsContact SG-N 3.39Å; C44-I57 HydrophobicContact CB-CD1 4.4Å; C44-I57 HydrophobicContact CB-CG2 3.77Å; C44-Q94 PolarHBondContact O-OE1 3.08Å; C44-R122 PolarHBondContact O-NH2 3.01Å
45	C	76.5	Confident	82.7	Confident	11 Å²	11	45.4 Å²	45.4	7%	0.074	25%	0.248	C	C	.	.			trans	-68.5	-20.2	175.7	58	0	0	0	0	113	C23 C24 T47 Y231	C23-C45 HydrophobicContact CB-CB 4.06Å; C23-C45 PolarHBondContact O-N 3Å; C23-C45 PolarHBondContact O-SG 3.48Å; C24-C45 PolarHBondContact SG-SG 3.33Å; C45-T47 PolarHBondContact O-N 2.87Å; C45-T47 VanDerWaalsContact O-N 3.1Å; C45-T47 PolarHBondContact SG-N 3.44Å; C45-T47 PolarHBondContact SG-OG1 2.98Å; C45-Y231 HydrophobicContact CB-CD2 3.54Å; C45-Y231 HydrophobicContact CB-CE2 3.75Å
46	R	76	Confident	82.8	Confident	120 Å²	120	49.5 Å²	49.5	45%	0.453	27%	0.269	S	S	.	.			trans	54.2	23.1	-172.8	-55.5	-178.3	174.9	-170.3	-2.8	113.3	C44 I57	C44-R46 HydrophobicContact CB-CG 4.48Å; C44-R46 PolarHBondContact O-N 2.87Å; C44-R46 PolarHBondContact SG-N 3.26Å; C44-R46 VanDerWaalsContact SG-N 3.39Å; R46-I57 HydrophobicContact CG-CD1 4.33Å
47	T	75.1	Confident	82.6	Confident	19 Å²	19	47.1 Å²	47.1	12%	0.117	26%	0.256	C	S	.	.			trans	-57.2	128.9	168.9	-57	0	0	0	0	107.7	C45 T49 M181	C45-T47 PolarHBondContact O-N 2.87Å; C45-T47 VanDerWaalsContact O-N 3.1Å; C45-T47 PolarHBondContact SG-N 3.44Å; C45-T47 PolarHBondContact SG-OG1 2.98Å; T47-T49 PolarHBondContact O-N 2.8Å; T47-M181 HydrophobicContact CG2-CG 3.91Å
48	P	75.8	Confident	82.5	Confident	72 Å²	72	48.7 Å²	48.7	47%	0.468	26%	0.261	S	S	.	.			trans	-53.2	131.7	178.2	-27.1	35	0	0	0	110.9	K182	P48-K182 HydrophobicContact CB-CB 3.85Å; P48-K182 HydrophobicContact CB-CD 3.78Å; P48-K182 HydrophobicContact CB-CG 4.47Å; P48-K182 WeakPolarHBondContact O-CB 3.33Å; P48-K182 PolarHBondContact O-N 3.46Å
49	T	79.8	Confident	82.3	Confident	22 Å²	22	50.8 Å²	50.8	14%	0.135	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-97	177.7	178.5	59.3	0	0	0	0	111.3	V25 E27 T47 E51 T180 K182	V25-T49 HydrophobicContact CB-CG2 4.11Å; E27-T49 WeakPolarHBondContact OE1-CB 3.31Å; E27-T49 PolarHBondContact OE1-OG1 3.07Å; T47-T49 PolarHBondContact O-N 2.8Å; T49-E51 PolarHBondContact O-N 2.92Å; T49-T180 CarbonylContact C-O 3.43Å; T49-T180 WeakPolarHBondContact CA-O 3.27Å; T49-T180 WeakPolarHBondContact CB-O 3.36Å; T49-K182 WeakPolarHBondContact O-CB 3.14Å
50	S	78.5	Confident	82	Confident	46 Å²	46	54.3 Å²	54.3	32%	0.322	29%	0.286	S	S	.	.			trans	-69	-10.2	175.7	33.1	0	0	0	0	113.4	E27 L52 T180	E27-S50 PolarHBondContact OE2-OG 3.12Å; S50-L52 PolarHBondContact O-N 3.3Å; S50-T180 PolarHBondContact N-O 2.72Å; S50-T180 WeakPolarHBondContact OG-CA 3.39Å; S50-T180 PolarHBondContact OG-O 2.89Å
51	E	82.4	Confident	81.9	Confident	130 Å²	130	61.9 Å²	61.9	61%	0.607	31%	0.314	S	S	*	.			trans	58.7	32.3	179.6	-61.2	165.7	-144.5	0	0	111.8	E27 T49 I53 K182	E27-E51 PolarHBondContact OE1-N 3.45Å; E27-E51 PolarHBondContact OE2-N 2.95Å; T49-E51 PolarHBondContact O-N 2.92Å; E51-I53 VanDerWaalsContact C-N 3.28Å; E51-I53 PolarHBondContact O-N 3.36Å; E51-K182 IonicContact OE1-NZ 2.8Å; E51-K182 PolarHBondContact OE1-NZ 3.23Å
52	L	82.4	Confident	81.9	Confident	95 Å²	95	61.1 Å²	61.1	50%	0.497	31%	0.312	S	S	.	.	S	Bend	trans	-65.8	-33.4	-180	-68.6	171.5	0	0	0	112.2	E27 S50	E27-L52 PolarHBondContact OE2-N 2.76Å; S50-L52 PolarHBondContact O-N 3.3Å
53	I	85.1	Confident	82.1	Confident	21 Å²	21	66.6 Å²	66.6	11%	0.108	35%	0.345	C	S	.	.	S	Bend	trans	-137.2	154.2	175.2	59.7	173.6	0	0	0	109.1	E27 A30 L38 E51 V55	E27-I53 HydrophobicContact CB-CG1 4.34Å; A30-I53 HydrophobicContact CB-CD1 3.27Å; L38-I53 HydrophobicContact CB-CD1 3.7Å; E51-I53 VanDerWaalsContact C-N 3.28Å; E51-I53 PolarHBondContact O-N 3.36Å; I53-V55 PolarHBondContact O-N 3.49Å
54	P	88.6	Confident	82.5	Confident	92 Å²	92	67.3 Å²	67.3	60%	0.597	35%	0.349	S	S	*	.			trans	-56.1	128.8	168.6	-25.1	33.2	0	0	0	112.3	D36 C37 L38	D36-P54 WeakPolarHBondContact O-CD 3.41Å; C37-P54 WeakPolarHBondContact CA-O 3.47Å; C37-P54 HydrophobicContact CB-CB 4.15Å; C37-P54 WeakPolarHBondContact CB-O 3.38Å; L38-P54 PolarHBondContact N-O 3.5Å
55	V	85.7	Confident	82.9	Confident	48 Å²	48	72 Å²	72	29%	0.291	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.7	177.7	179.7	0	0	0	0	110.4	V25 E27 L38 I53 I57	V25-V55 HydrophobicContact CB-CG1 4.45Å; V25-V55 HydrophobicContact CG1-CB 4.46Å; V25-V55 HydrophobicContact CG1-CG1 3.63Å; V25-V55 HydrophobicContact CG1-CG2 3.95Å; V25-V55 HydrophobicContact CG2-CG1 4.06Å; E27-V55 HydrophobicContact CG-CG2 4.14Å; L38-V55 HydrophobicContact CB-CG2 4.4Å; L38-V55 CarbonylContact O-C 3.54Å; L38-V55 WeakPolarHBondContact O-CA 3.28Å; I53-V55 PolarHBondContact O-N 3.49Å; V55-I57 HydrophobicContact CG1-CG1 4.16Å
56	L	87.9	Confident	83.4	Confident	97 Å²	97	75.5 Å²	75.5	51%	0.508	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.3	170	178.8	62.6	0	0	0	110.3	L38 I39 H40 I58	L38-L56 PolarHBondContact O-N 3.44Å; I39-L56 CarbonylContact C-O 3.6Å; I39-L56 WeakPolarHBondContact CA-O 3.36Å; I39-L56 HydrophobicContact CG1-CB 4.41Å; I39-L56 HydrophobicContact CG2-CD2 4.49Å; H40-L56 PolarHBondContact N-O 2.69Å; L56-I58 HydrophobicContact CD2-CD1 4.23Å; L56-I58 HydrophobicContact CD2-CG1 4.28Å; L56-I58 HydrophobicContact CG-CG1 4.15Å
57	I	84.8	Confident	84.2	Confident	52 Å²	52	74.5 Å²	74.5	27%	0.267	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	118.8	175.4	-60.8	164.5	0	0	0	109.1	V25 H40 C44 R46 V55 P59	V25-I57 HydrophobicContact CG2-CD1 4.34Å; V25-I57 HydrophobicContact CG2-CG1 4.32Å; H40-I57 HydrophobicContact CB-CG1 4.39Å; C44-I57 HydrophobicContact CB-CD1 4.4Å; C44-I57 HydrophobicContact CB-CG2 3.77Å; R46-I57 HydrophobicContact CG-CD1 4.33Å; V55-I57 HydrophobicContact CG1-CG1 4.16Å; I57-P59 WeakPolarHBondContact O-CD 3.38Å
58	I	87	Confident	85	Confident	66 Å²	66	74.7 Å²	74.7	34%	0.338	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	97.3	173.8	-58.9	-179.9	0	0	0	107.9	I39 H40 F41 G42 L56	I39-I58 HydrophobicContact CG2-CD1 3.56Å; I39-I58 HydrophobicContact CG2-CG1 4.02Å; H40-I58 PolarHBondContact O-N 2.58Å; F41-I58 WeakPolarHBondContact CA-O 3.33Å; F41-I58 HydrophobicContact CD1-CB 3.87Å; F41-I58 HydrophobicContact CD1-CD1 4.16Å; F41-I58 HydrophobicContact CD1-CG2 3.96Å; F41-I58 HydrophobicContact CE1-CB 4.09Å; F41-I58 HydrophobicContact CE1-CD1 3.49Å; F41-I58 VanDerWaalsContact CE1-CD1 3.49Å; F41-I58 HydrophobicContact CE1-CG1 4.32Å; F41-I58 HydrophobicContact CE1-CG2 4.1Å; F41-I58 HydrophobicContact CZ-CD1 3.79Å; G42-I58 PolarHBondContact N-O 2.94Å; L56-I58 HydrophobicContact CD2-CD1 4.23Å; L56-I58 HydrophobicContact CD2-CG1 4.28Å; L56-I58 HydrophobicContact CG-CG1 4.15Å
59	P	81.6	Confident	85.7	Confident	46 Å²	46	71.6 Å²	71.6	30%	0.299	37%	0.371	S	S	.	.			trans	-67.8	144.9	-175.7	28.5	-34.6	0	0	0	111.3	I57 R61	I57-P59 WeakPolarHBondContact O-CD 3.38Å; P59-R61 PolarHBondContact O-N 3.35Å
60	R	82.1	Confident	86.1	Confident	107 Å²	107	76.6 Å²	76.6	40%	0.404	39%	0.388	S	S	.	.			trans	-70.9	123.3	165.5	175	178.1	175	168.7	0.3	108	E62 R95	R60-E62 HydrophobicContact CG-CG 4.47Å; R60-E62 IonicContact CZ-OE1 2.77Å; R60-E62 IonicContact NE-OE1 2.72Å; R60-E62 PolarHBondContact NE-OE1 2.85Å; R60-E62 IonicContact NH2-OE1 3.63Å; R60-E62 PolarHBondContact NH2-OE1 3.18Å; R60-R95 WeakPolarHBondContact O-CA 3.43Å
61	R	84.3	Confident	86.7	Confident	158 Å²	158	77 Å²	77	60%	0.596	39%	0.39	S	S	*	.			trans	-106.5	137.4	173.1	-66.2	-174.6	177	176.4	-1.1	109.6	P59 R95	P59-R61 PolarHBondContact O-N 3.35Å; R61-R95 WeakPolarHBondContact CA-O 3.4Å
62	E	85.4	Confident	87	Confident	38 Å²	38	71.7 Å²	71.7	18%	0.178	37%	0.368	C	S	.	.			trans	-121.7	139.4	173.8	-67.7	-173.6	177.6	0	0	109.6	R60 R95 Y96	R60-E62 HydrophobicContact CG-CG 4.47Å; R60-E62 IonicContact CZ-OE1 2.77Å; R60-E62 IonicContact NE-OE1 2.72Å; R60-E62 PolarHBondContact NE-OE1 2.85Å; R60-E62 IonicContact NH2-OE1 3.63Å; R60-E62 PolarHBondContact NH2-OE1 3.18Å; E62-R95 HydrophobicContact CG-CB 4.46Å; E62-R95 PolarHBondContact N-O 2.83Å; E62-Y96 HydrophobicContact CB-CD1 4.08Å; E62-Y96 HydrophobicContact CB-CE1 3.58Å; E62-Y96 PolarHBondContact OE2-OH 3.28Å
63	P	86.6	Confident	87.2	Confident	125 Å²	125	69.1 Å²	69.1	81%	0.812	35%	0.354	S	S	*	.			trans	-64.7	139.2	171.7	29	-33.4	0	0	0	109.4
64	L	87	Confident	87.2	Confident	45 Å²	45	76 Å²	76	24%	0.236	38%	0.379	C	S	.	.			trans	-107.6	106.2	171.8	-177.3	65.7	0	0	0	108.5	M66 L92 Y96 I116 Y138 P140	L64-M66 HydrophobicContact CD2-SD 3.81Å; L64-M66 HydrophobicContact CG-SD 4.02Å; L64-M66 PolarHBondContact O-N 2.97Å; L64-L92 HydrophobicContact CD2-CD2 4.36Å; L64-Y96 HydrophobicContact CB-CD1 3.94Å; L64-Y96 HydrophobicContact CB-CG 4.5Å; L64-Y96 HydrophobicContact CD1-CD1 4.18Å; L64-Y96 HydrophobicContact CD1-CE1 4.44Å; L64-Y96 HydrophobicContact CD1-CG 4.48Å; L64-I116 HydrophobicContact CD1-CG2 3.78Å; L64-I116 HydrophobicContact CD2-CD1 4.39Å; L64-I116 HydrophobicContact CD2-CG2 3.85Å; L64-Y138 HydrophobicContact CD1-CE1 4.36Å; L64-P140 HydrophobicContact CD1-CB 4.11Å; L64-P140 HydrophobicContact CD1-CG 3.73Å
65	D	87.8	Confident	87	Confident	101 Å²	101	77.8 Å²	77.8	54%	0.54	38%	0.377	S	S	.	.			trans	-73.7	122.8	170	-174.6	0.5	0	0	0	109.6	E67 P68	D65-E67 PolarHBondContact OD1-N 3.49Å; D65-P68 HydrophobicContact CB-CG 4.39Å; D65-P68 WeakPolarHBondContact OD1-CD 3.38Å; D65-P68 VanDerWaalsContact OD2-CD 3.32Å; D65-P68 WeakPolarHBondContact OD2-CD 3.49Å
66	M	88.3	Confident	86.7	Confident	85 Å²	85	75.7 Å²	75.7	42%	0.419	37%	0.365	S	S	.	.	H	α-helix	trans	-84.5	-20.4	-175.5	-64.1	-60.3	-67.7	0	0	112.8	L64 L69 R70	L64-M66 HydrophobicContact CD2-SD 3.81Å; L64-M66 HydrophobicContact CG-SD 4.02Å; L64-M66 PolarHBondContact O-N 2.97Å; M66-L69 HydrophobicContact CE-CD2 3.81Å; M66-L69 PolarHBondContact O-N 2.94Å; M66-L69 HydrophobicContact SD-CD2 4.11Å; M66-R70 WeakPolarHBondContact O-CB 3.18Å; M66-R70 VanDerWaalsContact O-CG 3.24Å; M66-R70 WeakPolarHBondContact O-CG 3.28Å; M66-R70 PolarHBondContact O-N 3.15Å
67	E	92.3	Very high	86.1	Confident	100 Å²	100	76.1 Å²	76.1	47%	0.467	37%	0.367	S	S	.	.	H	α-helix	trans	-67.7	-46.3	-177.1	-73.9	-55.3	127	0	0	113	D65 L69 R70 S71	D65-E67 PolarHBondContact OD1-N 3.49Å; E67-L69 VanDerWaalsContact C-N 3.32Å; E67-L69 PolarHBondContact O-N 3.33Å; E67-R70 PolarHBondContact O-N 2.73Å; E67-R70 WeakPolarHBondContact OE1-CD 3.41Å; E67-R70 IonicContact OE1-CZ 2.63Å; E67-R70 IonicContact OE1-NE 3.1Å; E67-R70 IonicContact OE1-NH1 3.23Å; E67-R70 PolarHBondContact OE1-NH1 2.91Å; E67-S71 PolarHBondContact O-N 3.34Å
68	P	92	Very high	85.6	Confident	23 Å²	23	80.6 Å²	80.6	15%	0.149	39%	0.392	C	S	.	.	H	α-helix	trans	-60	-41.8	172.9	-24.1	34.8	0	0	0	112.2	D65 S71 C72 M143	D65-P68 HydrophobicContact CB-CG 4.39Å; D65-P68 WeakPolarHBondContact OD1-CD 3.38Å; D65-P68 VanDerWaalsContact OD2-CD 3.32Å; D65-P68 WeakPolarHBondContact OD2-CD 3.49Å; P68-S71 WeakPolarHBondContact O-CB 3.49Å; P68-S71 PolarHBondContact O-N 3.34Å; P68-C72 PolarHBondContact O-N 3.09Å; P68-C72 PolarHBondContact O-SG 2.78Å; P68-M143 HydrophobicContact CB-CB 4.39Å; P68-M143 HydrophobicContact CB-CG 4.06Å; P68-M143 HydrophobicContact CB-SD 3.85Å; P68-M143 HydrophobicContact CG-CE 4.4Å; P68-M143 HydrophobicContact CG-SD 4.05Å
69	L	89.6	Confident	84.8	Confident	6 Å²	6	82.4 Å²	82.4	3%	0.031	40%	0.399	C	S	.	.	H	α-helix	trans	-60.4	-46.8	176.5	173.7	59.7	0	0	0	111.6	M66 E67 S71 C72 L73 L114 I116 Y138	M66-L69 HydrophobicContact CE-CD2 3.81Å; M66-L69 PolarHBondContact O-N 2.94Å; M66-L69 HydrophobicContact SD-CD2 4.11Å; E67-L69 VanDerWaalsContact C-N 3.32Å; E67-L69 PolarHBondContact O-N 3.33Å; L69-S71 VanDerWaalsContact C-N 3.31Å; L69-S71 PolarHBondContact O-N 3.25Å; L69-C72 PolarHBondContact O-N 3.14Å; L69-L73 HydrophobicContact CD1-CD1 3.93Å; L69-L73 HydrophobicContact CD1-CG 4.03Å; L69-L73 HydrophobicContact CG-CD1 4.03Å; L69-L73 WeakPolarHBondContact O-CB 3.41Å; L69-L73 VanDerWaalsContact O-CG 3.32Å; L69-L73 WeakPolarHBondContact O-CG 3.39Å; L69-L73 PolarHBondContact O-N 3.28Å; L69-L114 HydrophobicContact CD1-CD2 4.44Å; L69-I116 HydrophobicContact CD2-CD1 3.58Å; L69-I116 HydrophobicContact CD2-CG1 4.48Å; L69-Y138 HydrophobicContact CB-CE1 3.91Å; L69-Y138 HydrophobicContact CB-CE2 4.31Å; L69-Y138 HydrophobicContact CD1-CD1 3.7Å; L69-Y138 HydrophobicContact CD1-CD2 3.86Å; L69-Y138 HydrophobicContact CD1-CE1 3.98Å; L69-Y138 HydrophobicContact CD1-CE2 4.14Å; L69-Y138 HydrophobicContact CD1-CG 3.62Å; L69-Y138 HydrophobicContact CG-CE1 4.38Å; L69-Y138 PolarHBondContact N-OH 2.88Å
70	R	89.6	Confident	83.9	Confident	128 Å²	128	86.5 Å²	86.5	48%	0.483	43%	0.428	S	S	.	.	H	α-helix	trans	-58.9	-42.9	175.6	-76.3	169.6	175.9	-177.2	-1.8	111.6	M66 E67 L73 R74	M66-R70 WeakPolarHBondContact O-CB 3.18Å; M66-R70 VanDerWaalsContact O-CG 3.24Å; M66-R70 WeakPolarHBondContact O-CG 3.28Å; M66-R70 PolarHBondContact O-N 3.15Å; E67-R70 PolarHBondContact O-N 2.73Å; E67-R70 WeakPolarHBondContact OE1-CD 3.41Å; E67-R70 IonicContact OE1-CZ 2.63Å; E67-R70 IonicContact OE1-NE 3.1Å; E67-R70 IonicContact OE1-NH1 3.23Å; E67-R70 PolarHBondContact OE1-NH1 2.91Å; R70-L73 PolarHBondContact O-N 2.71Å; R70-R74 WeakPolarHBondContact O-CB 3.47Å; R70-R74 WeakPolarHBondContact O-CG 3.42Å; R70-R74 PolarHBondContact O-N 3.22Å
71	S	90.9	Very high	83	Confident	53 Å²	53	85.6 Å²	85.6	37%	0.371	44%	0.435	S	S	.	.	H	α-helix	trans	-62.3	-46.2	176.9	-173.9	0	0	0	0	111.8	E67 P68 L69 R74 K75	E67-S71 PolarHBondContact O-N 3.34Å; P68-S71 WeakPolarHBondContact O-CB 3.49Å; P68-S71 PolarHBondContact O-N 3.34Å; L69-S71 VanDerWaalsContact C-N 3.31Å; L69-S71 PolarHBondContact O-N 3.25Å; S71-R74 PolarHBondContact O-N 3.3Å; S71-K75 WeakPolarHBondContact O-CG 3.35Å; S71-K75 PolarHBondContact O-N 3.28Å
72	C	88.6	Confident	82.1	Confident	20 Å²	20	79.7 Å²	79.7	14%	0.135	41%	0.414	C	S	.	.	H	α-helix	trans	-62.5	-43.9	176.6	-67.1	0	0	0	0	112.4	P68 L69 K75 A76 Y138 M143 I145	P68-C72 PolarHBondContact O-N 3.09Å; P68-C72 PolarHBondContact O-SG 2.78Å; L69-C72 PolarHBondContact O-N 3.14Å; C72-K75 PolarHBondContact O-N 3.21Å; C72-A76 VanDerWaalsContact O-CB 3.25Å; C72-A76 WeakPolarHBondContact O-CB 3.5Å; C72-A76 PolarHBondContact O-N 3.31Å; C72-Y138 HydrophobicContact CB-CD2 4.44Å; C72-Y138 HydrophobicContact CB-CE2 4.28Å; C72-M143 PolarHBondContact SG-O 3.14Å; C72-I145 HydrophobicContact CB-CD1 3.71Å; C72-I145 HydrophobicContact CB-CG1 3.89Å
73	L	85.8	Confident	81.1	Confident	40 Å²	40	81.2 Å²	81.2	21%	0.209	42%	0.423	C	S	.	.	H	α-helix	trans	-63.4	-42	177.5	-71.1	172.4	0	0	0	111.8	L69 R70 A76 L77 F84 L114 I145	L69-L73 HydrophobicContact CD1-CD1 3.93Å; L69-L73 HydrophobicContact CD1-CG 4.03Å; L69-L73 HydrophobicContact CG-CD1 4.03Å; L69-L73 WeakPolarHBondContact O-CB 3.41Å; L69-L73 VanDerWaalsContact O-CG 3.32Å; L69-L73 WeakPolarHBondContact O-CG 3.39Å; L69-L73 PolarHBondContact O-N 3.28Å; R70-L73 PolarHBondContact O-N 2.71Å; L73-A76 PolarHBondContact O-N 3.33Å; L73-L77 WeakPolarHBondContact O-CB 3.4Å; L73-L77 WeakPolarHBondContact O-CD1 3.45Å; L73-L77 VanDerWaalsContact O-CG 3.24Å; L73-L77 WeakPolarHBondContact O-CG 3.47Å; L73-L77 PolarHBondContact O-N 3.43Å; L73-F84 HydrophobicContact CD2-CD1 4.08Å; L73-F84 HydrophobicContact CD2-CE1 3.48Å; L73-F84 VanDerWaalsContact CD2-CE1 3.48Å; L73-F84 HydrophobicContact CD2-CE2 4.4Å; L73-F84 HydrophobicContact CD2-CZ 3.67Å; L73-L114 HydrophobicContact CD2-CD2 3.88Å; L73-I145 HydrophobicContact CD2-CD1 3.74Å; L73-I145 HydrophobicContact CG-CD1 4.19Å
74	R	85.9	Confident	80.3	Confident	165 Å²	165	76.2 Å²	76.2	62%	0.623	39%	0.389	S	S	*	.	H	α-helix	trans	-62	-43.4	175.2	-76.4	177.1	-179.5	154.7	0.4	112.5	R70 S71 L77 N78	R70-R74 WeakPolarHBondContact O-CB 3.47Å; R70-R74 WeakPolarHBondContact O-CG 3.42Å; R70-R74 PolarHBondContact O-N 3.22Å; S71-R74 PolarHBondContact O-N 3.3Å; R74-L77 PolarHBondContact O-N 2.87Å; R74-N78 PolarHBondContact O-N 2.68Å; R74-N78 PolarHBondContact O-ND2 3.44Å
75	K	84.6	Confident	79.2	Confident	130 Å²	130	78.6 Å²	78.6	57%	0.565	42%	0.415	S	S	*	.	H	α-helix	trans	-62.3	-47.6	176	-72.6	177.7	-177.7	-177.5	0	110.9	S71 C72 L77 N78 E79	S71-K75 WeakPolarHBondContact O-CG 3.35Å; S71-K75 PolarHBondContact O-N 3.28Å; C72-K75 PolarHBondContact O-N 3.21Å; K75-L77 VanDerWaalsContact C-N 3.3Å; K75-L77 PolarHBondContact O-N 3.06Å; K75-N78 WeakPolarHBondContact O-CB 3.35Å; K75-N78 PolarHBondContact O-N 3.25Å; K75-E79 PolarHBondContact O-N 2.9Å
76	A	78.9	Confident	78.4	Confident	5 Å²	5	77.6 Å²	77.6	4%	0.041	41%	0.407	C	S	.	.	H	α-helix	trans	-71.3	-24.8	-176.6	0	0	0	0	0	112.9	C72 L73 N78 E79 F82 F84	C72-A76 VanDerWaalsContact O-CB 3.25Å; C72-A76 WeakPolarHBondContact O-CB 3.5Å; C72-A76 PolarHBondContact O-N 3.31Å; L73-A76 PolarHBondContact O-N 3.33Å; A76-N78 VanDerWaalsContact C-N 3.3Å; A76-E79 PolarHBondContact O-N 2.81Å; A76-F82 HydrophobicContact CB-CB 4.31Å; A76-F82 HydrophobicContact CB-CD2 3.69Å; A76-F82 HydrophobicContact CB-CE2 4.12Å; A76-F82 HydrophobicContact CB-CG 3.97Å; A76-F84 HydrophobicContact CB-CD2 4.18Å; A76-F84 HydrophobicContact CB-CE2 3.4Å; A76-F84 VanDerWaalsContact CB-CE2 3.4Å; A76-F84 HydrophobicContact CB-CZ 4.24Å
77	L	75.2	Confident	77.9	Confident	105 Å²	105	76.1 Å²	76.1	55%	0.55	40%	0.401	S	S	.	.	H	α-helix	trans	-65.3	-30.2	167.8	-81.5	163.7	0	0	0	113.2	L73 R74 K75 F84	L73-L77 WeakPolarHBondContact O-CB 3.4Å; L73-L77 WeakPolarHBondContact O-CD1 3.45Å; L73-L77 VanDerWaalsContact O-CG 3.24Å; L73-L77 WeakPolarHBondContact O-CG 3.47Å; L73-L77 PolarHBondContact O-N 3.43Å; R74-L77 PolarHBondContact O-N 2.87Å; K75-L77 VanDerWaalsContact C-N 3.3Å; K75-L77 PolarHBondContact O-N 3.06Å; L77-F84 HydrophobicContact CD2-CB 3.57Å; L77-F84 HydrophobicContact CD2-CG 4.38Å; L77-F84 HydrophobicContact CG-CB 4.23Å; L77-F84 HydrophobicContact CG-CD2 4.39Å
78	N	73.6	Confident	77	Confident	146 Å²	146	81.8 Å²	81.8	78%	0.781	42%	0.418	S	S	*	.	H	α-helix	trans	-85.2	-19.1	178.2	-65.9	-21.8	0	0	0	112.4	R74 K75 A76	R74-N78 PolarHBondContact O-N 2.68Å; R74-N78 PolarHBondContact O-ND2 3.44Å; K75-N78 WeakPolarHBondContact O-CB 3.35Å; K75-N78 PolarHBondContact O-N 3.25Å; A76-N78 VanDerWaalsContact C-N 3.3Å
79	E	70.7	Confident	76.6	Confident	105 Å²	105	82.2 Å²	82.2	49%	0.491	42%	0.42	S	S	.	.	S	Bend	trans	-89.4	126.2	176.5	-66.6	174.4	-167.5	0	0	109.8	K75 A76 T81 F82	K75-E79 PolarHBondContact O-N 2.9Å; A76-E79 PolarHBondContact O-N 2.81Å; E79-T81 WeakPolarHBondContact CB-OG1 3.48Å; E79-T81 PolarHBondContact O-N 2.85Å; E79-F82 HydrophobicContact CB-CD2 4.5Å; E79-F82 PolarHBondContact O-N 2.85Å
80	S	62.4	Low	76.4	Confident	131 Å²	131	86.7 Å²	86.7	92%	0.916	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-6.9	179.4	54.1	0	0	0	0	114.5	F82	S80-F82 VanDerWaalsContact C-N 3.32Å
81	T	63.5	Low	76.3	Confident	89 Å²	89	81 Å²	81	55%	0.546	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-20.1	179.2	43.5	0	0	0	0	113.3	E79 Y136	E79-T81 WeakPolarHBondContact CB-OG1 3.48Å; E79-T81 PolarHBondContact O-N 2.85Å; T81-Y136 PolarHBondContact O-OH 2.88Å
82	F	65.8	Low	76.1	Confident	33 Å²	33	81 Å²	81	15%	0.145	42%	0.418	C	S	.	.			trans	-124.9	108.9	-177.9	-56.3	-95.5	0	0	0	112.2	A76 E79 S80 F84 Y136 I145	A76-F82 HydrophobicContact CB-CB 4.31Å; A76-F82 HydrophobicContact CB-CD2 3.69Å; A76-F82 HydrophobicContact CB-CE2 4.12Å; A76-F82 HydrophobicContact CB-CG 3.97Å; E79-F82 HydrophobicContact CB-CD2 4.5Å; E79-F82 PolarHBondContact O-N 2.85Å; S80-F82 VanDerWaalsContact C-N 3.32Å; F82-F84 VanDerWaalsContact C-N 3.3Å; F82-F84 HydrophobicContact CB-CD2 3.49Å; F82-F84 VanDerWaalsContact CB-CD2 3.49Å; F82-F84 HydrophobicContact CB-CE2 3.29Å; F82-F84 HydrophobicContact CB-CZ 4.28Å; F82-F84 AromaticContact CD1-CE2 3.92Å; F82-F84 HydrophobicContact CD1-CE2 3.92Å; F82-F84 HydrophobicContact CD1-CZ 4.22Å; F82-F84 HydrophobicContact CG-CD2 4.41Å; F82-F84 AromaticContact CG-CE2 3.74Å; F82-F84 HydrophobicContact CG-CE2 3.74Å; F82-F84 HydrophobicContact CG-CZ 4.48Å; F82-F84 PolarHBondContact O-N 2.91Å; F82-Y136 AromaticContact CD1-CD1 3.4Å; F82-Y136 HydrophobicContact CD1-CD1 3.4Å; F82-Y136 VanDerWaalsContact CD1-CD1 3.4Å; F82-Y136 HydrophobicContact CD1-CD2 4.47Å; F82-Y136 AromaticContact CD1-CE1 3.1Å; F82-Y136 HydrophobicContact CD1-CE1 3.1Å; F82-Y136 HydrophobicContact CD1-CE2 4.24Å; F82-Y136 HydrophobicContact CD1-CG 4.08Å; F82-Y136 AromaticContact CD1-CZ 3.55Å; F82-Y136 AromaticContact CE1-CD1 3.36Å; F82-Y136 HydrophobicContact CE1-CD1 3.36Å; F82-Y136 AromaticContact CE1-CE1 3.33Å; F82-Y136 HydrophobicContact CE1-CE1 3.33Å; F82-Y136 HydrophobicContact CE1-CG 4.29Å; F82-Y136 HydrophobicContact CG-CE1 4.22Å; F82-I145 HydrophobicContact CD1-CG2 4.33Å; F82-I145 HydrophobicContact CE1-CG2 3.75Å; F82-I145 HydrophobicContact CZ-CG2 4.31Å
83	N	64.9	Low	76	Confident	71 Å²	71	80.3 Å²	80.3	38%	0.38	41%	0.413	S	S	.	.			trans	-82.9	77.4	170.4	-170.3	-3.1	0	0	0	110.5	A85 E86	N83-A85 PolarHBondContact O-N 2.84Å; N83-A85 VanDerWaalsContact OD1-CB 3.29Å; N83-A85 WeakPolarHBondContact OD1-CB 3.39Å; N83-A85 PolarHBondContact OD1-N 2.74Å; N83-E86 PolarHBondContact ND2-OE1 2.78Å
84	F	69	Low	75.8	Confident	19 Å²	19	79.6 Å²	79.6	8%	0.083	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-70.7	-12	174.8	-81.3	-73.7	0	0	0	113.8	L73 A76 L77 F82 E86 L87 I145	L73-F84 HydrophobicContact CD2-CD1 4.08Å; L73-F84 HydrophobicContact CD2-CE1 3.48Å; L73-F84 VanDerWaalsContact CD2-CE1 3.48Å; L73-F84 HydrophobicContact CD2-CE2 4.4Å; L73-F84 HydrophobicContact CD2-CZ 3.67Å; A76-F84 HydrophobicContact CB-CD2 4.18Å; A76-F84 HydrophobicContact CB-CE2 3.4Å; A76-F84 VanDerWaalsContact CB-CE2 3.4Å; A76-F84 HydrophobicContact CB-CZ 4.24Å; L77-F84 HydrophobicContact CD2-CB 3.57Å; L77-F84 HydrophobicContact CD2-CG 4.38Å; L77-F84 HydrophobicContact CG-CB 4.23Å; L77-F84 HydrophobicContact CG-CD2 4.39Å; F82-F84 VanDerWaalsContact C-N 3.3Å; F82-F84 HydrophobicContact CB-CD2 3.49Å; F82-F84 VanDerWaalsContact CB-CD2 3.49Å; F82-F84 HydrophobicContact CB-CE2 3.29Å; F82-F84 HydrophobicContact CB-CZ 4.28Å; F82-F84 AromaticContact CD1-CE2 3.92Å; F82-F84 HydrophobicContact CD1-CE2 3.92Å; F82-F84 HydrophobicContact CD1-CZ 4.22Å; F82-F84 HydrophobicContact CG-CD2 4.41Å; F82-F84 AromaticContact CG-CE2 3.74Å; F82-F84 HydrophobicContact CG-CE2 3.74Å; F82-F84 HydrophobicContact CG-CZ 4.48Å; F82-F84 PolarHBondContact O-N 2.91Å; F84-E86 PolarHBondContact O-N 2.83Å; F84-E86 VanDerWaalsContact O-N 3.13Å; F84-L87 HydrophobicContact CD1-CB 4.1Å; F84-L87 HydrophobicContact CD1-CD2 3.79Å; F84-L87 HydrophobicContact CD1-CG 4.42Å; F84-L87 HydrophobicContact CE1-CD2 4.11Å; F84-L87 VanDerWaalsContact O-CB 3.31Å; F84-L87 WeakPolarHBondContact O-CB 3.4Å; F84-L87 PolarHBondContact O-N 3.39Å; F84-I145 HydrophobicContact CZ-CD1 4.15Å; F84-I145 HydrophobicContact CZ-CG2 4.43Å
85	A	64.4	Low	75.7	Confident	96 Å²	96	72 Å²	72	79%	0.793	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-61.2	-23.3	176.9	0	0	0	0	0	111.9	N83	N83-A85 PolarHBondContact O-N 2.84Å; N83-A85 VanDerWaalsContact OD1-CB 3.29Å; N83-A85 WeakPolarHBondContact OD1-CB 3.39Å; N83-A85 PolarHBondContact OD1-N 2.74Å
86	E	71.3	Confident	75.6	Confident	80 Å²	80	66.7 Å²	66.7	37%	0.374	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-97.1	2.6	177.1	-65.4	174.5	-176.4	0	0	113.7	N83 F84 R88 R134	N83-E86 PolarHBondContact ND2-OE1 2.78Å; F84-E86 PolarHBondContact O-N 2.83Å; F84-E86 VanDerWaalsContact O-N 3.13Å; E86-R88 PolarHBondContact O-N 2.78Å; E86-R134 IonicContact OE2-NH1 3.9Å; E86-R134 PolarHBondContact OE2-NH1 3.31Å; E86-R134 VanDerWaalsContact OE2-NH1 3.08Å
87	L	76.7	Confident	75.5	Confident	54 Å²	54	67.1 Å²	67.1	28%	0.283	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	104.1	-179.1	-179.9	67.8	0	0	0	109.8	F84 T89 T112 L114	F84-L87 HydrophobicContact CD1-CB 4.1Å; F84-L87 HydrophobicContact CD1-CD2 3.79Å; F84-L87 HydrophobicContact CD1-CG 4.42Å; F84-L87 HydrophobicContact CE1-CD2 4.11Å; F84-L87 VanDerWaalsContact O-CB 3.31Å; F84-L87 WeakPolarHBondContact O-CB 3.4Å; F84-L87 PolarHBondContact O-N 3.39Å; L87-T89 WeakPolarHBondContact CD1-O 3.35Å; L87-T112 HydrophobicContact CB-CG2 4.49Å; L87-T112 HydrophobicContact CD1-CG2 4.15Å; L87-L114 HydrophobicContact CD1-CB 3.64Å; L87-L114 HydrophobicContact CD2-CB 4.08Å; L87-L114 HydrophobicContact CD2-CD2 4.3Å
88	R	73.5	Confident	74.5	Confident	219 Å²	219	70.9 Å²	70.9	83%	0.826	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	-13.1	-179.7	-69.9	-174.7	-178.1	-138.4	1.2	113.6	E86 T112	E86-R88 PolarHBondContact O-N 2.78Å; R88-T112 PolarHBondContact N-O 3.3Å
89	T	82.9	Confident	73.2	Confident	31 Å²	31	70.9 Å²	70.9	19%	0.19	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	124.3	-173.8	-48.8	0	0	0	0	111.6	L87 I91 L107 A113 L114	L87-T89 WeakPolarHBondContact CD1-O 3.35Å; T89-I91 HydrophobicContact CG2-CG1 4.03Å; T89-L107 HydrophobicContact CG2-CD2 3.6Å; T89-A113 CarbonylContact O-C 3.51Å; T89-A113 VanDerWaalsContact O-CA 3.28Å; T89-A113 WeakPolarHBondContact O-CA 3.03Å; T89-L114 PolarHBondContact O-N 3.11Å
90	L	86.1	Confident	72.3	Confident	101 Å²	101	67 Å²	67	53%	0.529	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.7	170.1	-171.6	74	0	0	0	109.1	L92 L114 I116	L90-L92 HydrophobicContact CD2-CD2 4.33Å; L90-L114 HydrophobicContact CD1-CB 4.03Å; L90-L114 HydrophobicContact CD1-CD2 3.75Å; L90-L114 HydrophobicContact CD1-CG 4Å; L90-I116 HydrophobicContact CD1-CD1 3.55Å; L90-I116 HydrophobicContact CD1-CG1 4.05Å; L90-I116 HydrophobicContact CD2-CD1 4.14Å; L90-I116 HydrophobicContact CG-CD1 4.15Å
91	I	87.2	Confident	71.6	Confident	7 Å²	7	63.8 Å²	63.8	4%	0.036	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	120.2	-179	-52	172.1	0	0	0	107.2	T89 V101 L105 L107 A113 L114 F115 I116 L126	T89-I91 HydrophobicContact CG2-CG1 4.03Å; I91-V101 HydrophobicContact CG2-CG2 4.29Å; I91-L105 HydrophobicContact CD1-CD2 3.64Å; I91-L105 HydrophobicContact CG1-CD2 3.84Å; I91-L105 HydrophobicContact CG2-CD2 4.39Å; I91-L107 HydrophobicContact CD1-CD1 3.97Å; I91-L107 HydrophobicContact CD1-CD2 4.06Å; I91-A113 HydrophobicContact CD1-CB 4.22Å; I91-L114 PolarHBondContact N-O 3.49Å; I91-F115 HydrophobicContact CB-CD2 4.02Å; I91-F115 HydrophobicContact CG2-CD2 3.64Å; I91-F115 HydrophobicContact CG2-CE2 3.99Å; I91-F115 CarbonylContact O-C 3.58Å; I91-F115 WeakPolarHBondContact O-CA 3.49Å; I91-I116 PolarHBondContact O-N 3.38Å; I91-L126 HydrophobicContact CD1-CD1 4.46Å; I91-L126 HydrophobicContact CD1-CD2 3.54Å
92	L	87.6	Confident	70.9	Confident	55 Å²	55	64 Å²	64	29%	0.288	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	130	176.1	-63.7	179.3	0	0	0	109.2	L64 L90 A97 I116	L64-L92 HydrophobicContact CD2-CD2 4.36Å; L90-L92 HydrophobicContact CD2-CD2 4.33Å; L92-A97 HydrophobicContact CB-CB 3.68Å; L92-A97 HydrophobicContact CD1-CB 4.44Å; L92-I116 HydrophobicContact CD2-CB 3.73Å; L92-I116 HydrophobicContact CD2-CD1 3.61Å; L92-I116 HydrophobicContact CD2-CG1 4.15Å; L92-I116 HydrophobicContact CD2-CG2 3.99Å
93	D	85.7	Confident	70.2	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.021	34%	0.335	C	S	.	.			trans	-57.9	147.4	165.3	-176.7	-74.3	0	0	0	109.6	R95 Y96 A97 F115 I116	D93-R95 VanDerWaalsContact CG-NH2 3.27Å; D93-R95 PolarHBondContact O-N 3.48Å; D93-R95 WeakPolarHBondContact OD1-CG 3.27Å; D93-R95 IonicContact OD1-CZ 2.64Å; D93-R95 PolarHBondContact OD1-N 2.9Å; D93-R95 IonicContact OD1-NE 3.09Å; D93-R95 PolarHBondContact OD1-NE 3.08Å; D93-R95 IonicContact OD1-NH2 3.5Å; D93-R95 PolarHBondContact OD1-NH2 3.27Å; D93-R95 IonicContact OD2-CZ 2.84Å; D93-R95 IonicContact OD2-NE 3.08Å; D93-R95 IonicContact OD2-NH2 3.73Å; D93-R95 PolarHBondContact OD2-NH2 2.82Å; D93-Y96 HydrophobicContact CB-CD2 3.99Å; D93-Y96 HydrophobicContact CB-CE2 4.28Å; D93-Y96 PolarHBondContact O-N 2.9Å; D93-A97 PolarHBondContact O-N 3.12Å; D93-F115 HydrophobicContact CB-CE1 3.92Å; D93-F115 HydrophobicContact CB-CZ 3.81Å; D93-I116 VanDerWaalsContact CB-O 3.22Å; D93-I116 WeakPolarHBondContact CB-O 3.39Å; D93-I116 PolarHBondContact N-O 3.28Å
94	Q	82	Confident	69.7	Low	25 Å²	25	61.3 Å²	61.3	12%	0.117	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-20.9	-176.5	69.5	-172.8	-0.7	0	0	114.5	D43 C44 Y96 A100 R122	D43-Q94 PolarHBondContact OD1-NE2 2.62Å; C44-Q94 PolarHBondContact O-OE1 3.08Å; Q94-Y96 VanDerWaalsContact C-N 3.33Å; Q94-A100 HydrophobicContact CB-CB 4.44Å; Q94-R122 VanDerWaalsContact NE2-CZ 3.33Å; Q94-R122 VanDerWaalsContact NE2-NH2 3.19Å
95	R	82.9	Confident	69.6	Low	5 Å²	5	63.2 Å²	63.2	2%	0.019	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-29.9	175.5	-68.8	168.9	-72.3	177	-8.6	112.9	D43 R60 R61 E62 D93 S118	D43-R95 WeakPolarHBondContact OD1-CG 3.43Å; R60-R95 WeakPolarHBondContact O-CA 3.43Å; R61-R95 WeakPolarHBondContact CA-O 3.4Å; E62-R95 HydrophobicContact CG-CB 4.46Å; E62-R95 PolarHBondContact N-O 2.83Å; D93-R95 VanDerWaalsContact CG-NH2 3.27Å; D93-R95 PolarHBondContact O-N 3.48Å; D93-R95 WeakPolarHBondContact OD1-CG 3.27Å; D93-R95 IonicContact OD1-CZ 2.64Å; D93-R95 PolarHBondContact OD1-N 2.9Å; D93-R95 IonicContact OD1-NE 3.09Å; D93-R95 PolarHBondContact OD1-NE 3.08Å; D93-R95 IonicContact OD1-NH2 3.5Å; D93-R95 PolarHBondContact OD1-NH2 3.27Å; D93-R95 IonicContact OD2-CZ 2.84Å; D93-R95 IonicContact OD2-NE 3.08Å; D93-R95 IonicContact OD2-NH2 3.73Å; D93-R95 PolarHBondContact OD2-NH2 2.82Å; R95-S118 PolarHBondContact NH1-OG 2.93Å; R95-S118 PolarHBondContact NH2-OG 3.06Å
96	Y	83.2	Confident	69.7	Low	19 Å²	19	61.8 Å²	61.8	8%	0.075	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-24.9	-178.8	-50	-67.8	0	0	0	112	E62 L64 D93 Q94 I116 P140	E62-Y96 HydrophobicContact CB-CD1 4.08Å; E62-Y96 HydrophobicContact CB-CE1 3.58Å; E62-Y96 PolarHBondContact OE2-OH 3.28Å; L64-Y96 HydrophobicContact CB-CD1 3.94Å; L64-Y96 HydrophobicContact CB-CG 4.5Å; L64-Y96 HydrophobicContact CD1-CD1 4.18Å; L64-Y96 HydrophobicContact CD1-CE1 4.44Å; L64-Y96 HydrophobicContact CD1-CG 4.48Å; D93-Y96 HydrophobicContact CB-CD2 3.99Å; D93-Y96 HydrophobicContact CB-CE2 4.28Å; D93-Y96 PolarHBondContact O-N 2.9Å; Q94-Y96 VanDerWaalsContact C-N 3.33Å; Y96-I116 HydrophobicContact CD2-CG2 4.17Å; Y96-P140 HydrophobicContact CE1-CB 4.4Å; Y96-P140 HydrophobicContact CE1-CG 4.14Å; Y96-P140 HydrophobicContact CE2-CG 3.85Å
97	A	76	Confident	70	Confident	15 Å²	15	58.3 Å²	58.3	12%	0.124	31%	0.306	C	S	.	.			trans	-81.4	128.6	177.6	0	0	0	0	0	111.3	L92 D93 L99	L92-A97 HydrophobicContact CB-CB 3.68Å; L92-A97 HydrophobicContact CD1-CB 4.44Å; D93-A97 PolarHBondContact O-N 3.12Å; A97-L99 WeakPolarHBondContact CB-O 3.48Å; A97-L99 PolarHBondContact O-N 3.36Å
98	Y	54.3	Low	70	Confident	184 Å²	184	58.7 Å²	58.7	72%	0.722	31%	0.312	S	S	*	.	S	Bend	trans	-66.5	-22.5	168.9	-72.6	-88.4	0	0	0	112.3
99	L	48	Very low	70.1	Confident	146 Å²	146	50.5 Å²	50.5	76%	0.764	29%	0.287	S	S	*	.	S	Bend	trans	-123.6	122.4	177.1	-66.3	170.1	0	0	0	108.6	A97	A97-L99 WeakPolarHBondContact CB-O 3.48Å; A97-L99 PolarHBondContact O-N 3.36Å
100	A	50.4	Low	70	Confident	23 Å²	23	54.8 Å²	54.8	19%	0.19	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-69.6	135.3	178.5	0	0	0	0	0	110.2	Q94 S102	Q94-A100 HydrophobicContact CB-CB 4.44Å; A100-S102 PolarHBondContact O-N 3.07Å
101	V	48.3	Very low	69.9	Low	63 Å²	63	50.6 Å²	50.6	38%	0.382	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-66.2	120	171.1	178.3	0	0	0	0	108.5	I91 L105	I91-V101 HydrophobicContact CG2-CG2 4.29Å; V101-L105 HydrophobicContact CG1-CB 4.02Å; V101-L105 HydrophobicContact CG1-CD1 4.39Å; V101-L105 HydrophobicContact CG1-CD2 4.08Å; V101-L105 HydrophobicContact CG1-CG 4.4Å
102	S	49	Very low	69.8	Low	95 Å²	95	50.3 Å²	50.3	66%	0.664	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-58	140.9	175.6	-53.3	0	0	0	0	110.7	A100 G104	A100-S102 PolarHBondContact O-N 3.07Å; S102-G104 PolarHBondContact O-N 3.14Å
103	A	50.2	Low	69.8	Low	20 Å²	20	47.7 Å²	47.7	17%	0.165	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	127.4	160.9	0	0	0	0	0	107.9	Y231 L270	A103-Y231 WeakPolarHBondContact CB-OH 3.02Å; A103-L270 HydrophobicContact CB-CD2 4.15Å; A103-L270 WeakPolarHBondContact O-CD1 3.37Å
104	G	56.1	Low	70	Confident	27 Å²	27	47.6 Å²	47.6	28%	0.278	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	111.4	18.9	-176.8	0	0	0	0	0	116.1	S102 T106 L266	S102-G104 PolarHBondContact O-N 3.14Å; G104-T106 PolarHBondContact O-N 2.96Å; G104-L266 VanDerWaalsContact CA-CD2 3.4Å
105	L	66.3	Low	70.4	Confident	58 Å²	58	46.8 Å²	46.8	30%	0.304	27%	0.271	S	S	.	.			trans	-63.1	105.5	170.2	-170.1	71.4	0	0	0	110.4	I91 V101 L107 L126 N130	I91-L105 HydrophobicContact CD1-CD2 3.64Å; I91-L105 HydrophobicContact CG1-CD2 3.84Å; I91-L105 HydrophobicContact CG2-CD2 4.39Å; V101-L105 HydrophobicContact CG1-CB 4.02Å; V101-L105 HydrophobicContact CG1-CD1 4.39Å; V101-L105 HydrophobicContact CG1-CD2 4.08Å; V101-L105 HydrophobicContact CG1-CG 4.4Å; L105-L107 HydrophobicContact CD2-CD2 3.67Å; L105-L107 HydrophobicContact CD2-CG 4.3Å; L105-L107 HydrophobicContact CG-CD2 3.92Å; L105-L107 HydrophobicContact CG-CG 4.39Å; L105-L126 HydrophobicContact CB-CD1 4.32Å; L105-L126 HydrophobicContact CD2-CD1 4.28Å; L105-N130 PolarHBondContact O-ND2 2.94Å
106	T	66.4	Low	70.8	Confident	66 Å²	66	46.6 Å²	46.6	41%	0.405	27%	0.27	S	S	.	.			trans	-79.8	114.1	169.9	48.6	0	0	0	0	109.4	G104 L263 L281	G104-T106 PolarHBondContact O-N 2.96Å; T106-L263 HydrophobicContact CG2-CD2 3.42Å; T106-L263 VanDerWaalsContact CG2-CD2 3.42Å; T106-L281 HydrophobicContact CG2-CD1 4.21Å
107	L	76.8	Confident	71.2	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.037	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-93.9	147.6	176	-63.7	177.5	0	0	0	110.5	T89 I91 L105 C109 A113 L126 N130 V133 I135	T89-L107 HydrophobicContact CG2-CD2 3.6Å; I91-L107 HydrophobicContact CD1-CD1 3.97Å; I91-L107 HydrophobicContact CD1-CD2 4.06Å; L105-L107 HydrophobicContact CD2-CD2 3.67Å; L105-L107 HydrophobicContact CD2-CG 4.3Å; L105-L107 HydrophobicContact CG-CD2 3.92Å; L105-L107 HydrophobicContact CG-CG 4.39Å; L107-C109 PolarHBondContact O-N 3.08Å; L107-A113 HydrophobicContact CD1-CB 4.11Å; L107-L126 HydrophobicContact CD1-CD1 4.08Å; L107-L126 HydrophobicContact CD1-CG 4.47Å; L107-N130 HydrophobicContact CB-CB 4.35Å; L107-N130 WeakPolarHBondContact CB-OD1 3.44Å; L107-N130 HydrophobicContact CD1-CB 4.17Å; L107-N130 PolarHBondContact N-OD1 3.14Å; L107-N130 VanDerWaalsContact N-OD1 3.14Å; L107-V133 HydrophobicContact CB-CB 4.46Å; L107-V133 HydrophobicContact CB-CG1 4.16Å; L107-V133 HydrophobicContact CB-CG2 3.83Å; L107-V133 HydrophobicContact CD1-CG1 4.01Å; L107-I135 HydrophobicContact CD1-CD1 4.25Å; L107-I135 HydrophobicContact CD1-CG1 4.45Å
108	P	76.2	Confident	71.7	Confident	63 Å²	63	45.3 Å²	45.3	41%	0.409	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-61.9	130.7	178.5	25.1	-33.4	0	0	0	110.6	G111 V133	P108-G111 PolarHBondContact O-N 3.22Å; P108-V133 VanDerWaalsContact O-CG2 3.3Å; P108-V133 WeakPolarHBondContact O-CG2 3.48Å
109	C	77.5	Confident	73.2	Confident	47 Å²	47	40.4 Å²	40.4	32%	0.318	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	139	-178.7	-40.2	0	0	0	0	110.8	L107 G111 P282	L107-C109 PolarHBondContact O-N 3.08Å; C109-G111 PolarHBondContact O-N 3.46Å; C109-P282 HydrophobicContact CB-CB 3.91Å; C109-P282 HydrophobicContact CB-CG 3.96Å; C109-P282 VanDerWaalsContact SG-CB 3.57Å; C109-P282 WeakPolarHBondContact SG-CD 3.38Å; C109-P282 WeakPolarHBondContact SG-CG 3.24Å
110	N	79.9	Confident	74.9	Confident	120 Å²	120	34.3 Å²	34.3	64%	0.642	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	10.7	-176.1	-55.8	-31.9	0	0	0	115.1	T132	N110-T132 WeakPolarHBondContact CA-O 3.33Å
111	G	83	Confident	76.4	Confident	14 Å²	14	34.3 Å²	34.3	14%	0.144	22%	0.215	C	C	.	.			trans	-76.3	176.1	176.3	0	0	0	0	0	113.1	P108 C109 V133 R134	P108-G111 PolarHBondContact O-N 3.22Å; C109-G111 PolarHBondContact O-N 3.46Å; G111-V133 WeakPolarHBondContact O-CG1 3.02Å; G111-R134 PolarHBondContact O-N 3.4Å
112	T	86	Confident	78	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.4	173.8	-61.5	0	0	0	0	109.9	L87 R88 R134 Y136	L87-T112 HydrophobicContact CB-CG2 4.49Å; L87-T112 HydrophobicContact CD1-CG2 4.15Å; R88-T112 PolarHBondContact N-O 3.3Å; T112-R134 WeakPolarHBondContact CA-O 3.43Å; T112-Y136 HydrophobicContact CG2-CD2 3.72Å; T112-Y136 HydrophobicContact CG2-CE2 3.58Å
113	A	88.2	Confident	79.8	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.4	178.3	0	0	0	0	0	111.1	T89 I91 L107 V133 R134 I135 Y136	T89-A113 CarbonylContact O-C 3.51Å; T89-A113 VanDerWaalsContact O-CA 3.28Å; T89-A113 WeakPolarHBondContact O-CA 3.03Å; I91-A113 HydrophobicContact CD1-CB 4.22Å; L107-A113 HydrophobicContact CD1-CB 4.11Å; A113-V133 HydrophobicContact CB-CG1 4.17Å; A113-R134 PolarHBondContact N-O 3.21Å; A113-I135 HydrophobicContact CB-CG1 4.41Å; A113-I135 WeakPolarHBondContact O-CA 3.31Å; A113-Y136 PolarHBondContact O-N 3.06Å
114	L	89.5	Confident	81.5	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	116.1	174.8	177.3	67.8	0	0	0	109	L69 L73 L87 T89 L90 I91 I116	L69-L114 HydrophobicContact CD1-CD2 4.44Å; L73-L114 HydrophobicContact CD2-CD2 3.88Å; L87-L114 HydrophobicContact CD1-CB 3.64Å; L87-L114 HydrophobicContact CD2-CB 4.08Å; L87-L114 HydrophobicContact CD2-CD2 4.3Å; T89-L114 PolarHBondContact O-N 3.11Å; L90-L114 HydrophobicContact CD1-CB 4.03Å; L90-L114 HydrophobicContact CD1-CD2 3.75Å; L90-L114 HydrophobicContact CD1-CG 4Å; I91-L114 PolarHBondContact N-O 3.49Å; L114-I116 HydrophobicContact CG-CG1 4.47Å
115	F	91	Very high	82.8	Confident	8 Å²	8	29.2 Å²	29.2	4%	0.035	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.4	171.3	-172.6	-80.8	0	0	0	109.6	I91 D93 L123 L126 I135 Y136 L137 Y138	I91-F115 HydrophobicContact CB-CD2 4.02Å; I91-F115 HydrophobicContact CG2-CD2 3.64Å; I91-F115 HydrophobicContact CG2-CE2 3.99Å; I91-F115 CarbonylContact O-C 3.58Å; I91-F115 WeakPolarHBondContact O-CA 3.49Å; D93-F115 HydrophobicContact CB-CE1 3.92Å; D93-F115 HydrophobicContact CB-CZ 3.81Å; F115-L123 HydrophobicContact CB-CD1 4Å; F115-L123 HydrophobicContact CD1-CD1 4.21Å; F115-L123 HydrophobicContact CD1-CD2 4.47Å; F115-L123 HydrophobicContact CD2-CD1 3.92Å; F115-L123 HydrophobicContact CE1-CB 4.45Å; F115-L123 HydrophobicContact CE2-CB 4.48Å; F115-L123 HydrophobicContact CE2-CD1 4.45Å; F115-L123 HydrophobicContact CG-CD1 3.79Å; F115-L123 HydrophobicContact CZ-CB 4.32Å; F115-L126 HydrophobicContact CD2-CD2 4Å; F115-I135 HydrophobicContact CB-CG2 4.33Å; F115-Y136 PolarHBondContact N-O 3.42Å; F115-L137 HydrophobicContact CB-CD1 4.33Å; F115-L137 HydrophobicContact CD1-CD1 3.41Å; F115-L137 VanDerWaalsContact CD1-CD1 3.41Å; F115-L137 HydrophobicContact CE1-CD1 4.12Å; F115-L137 HydrophobicContact CG-CD1 4.27Å; F115-L137 WeakPolarHBondContact O-CA 3.48Å; F115-Y138 PolarHBondContact O-N 3.1Å
116	I	91.3	Very high	83.7	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	109.1	175.2	-67.7	174.6	0	0	0	108.2	L64 L69 L90 I91 L92 D93 Y96 L114 Y138 P140	L64-I116 HydrophobicContact CD1-CG2 3.78Å; L64-I116 HydrophobicContact CD2-CD1 4.39Å; L64-I116 HydrophobicContact CD2-CG2 3.85Å; L69-I116 HydrophobicContact CD2-CD1 3.58Å; L69-I116 HydrophobicContact CD2-CG1 4.48Å; L90-I116 HydrophobicContact CD1-CD1 3.55Å; L90-I116 HydrophobicContact CD1-CG1 4.05Å; L90-I116 HydrophobicContact CD2-CD1 4.14Å; L90-I116 HydrophobicContact CG-CD1 4.15Å; I91-I116 PolarHBondContact O-N 3.38Å; L92-I116 HydrophobicContact CD2-CB 3.73Å; L92-I116 HydrophobicContact CD2-CD1 3.61Å; L92-I116 HydrophobicContact CD2-CG1 4.15Å; L92-I116 HydrophobicContact CD2-CG2 3.99Å; D93-I116 VanDerWaalsContact CB-O 3.22Å; D93-I116 WeakPolarHBondContact CB-O 3.39Å; D93-I116 PolarHBondContact N-O 3.28Å; Y96-I116 HydrophobicContact CD2-CG2 4.17Å; L114-I116 HydrophobicContact CG-CG1 4.47Å; I116-Y138 WeakPolarHBondContact CA-O 3.41Å; I116-Y138 HydrophobicContact CG1-CD1 4.25Å; I116-Y138 HydrophobicContact CG2-CD1 4.12Å; I116-P140 HydrophobicContact CG2-CG 4.15Å
117	G	89.9	Confident	84.7	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	157.9	-176.8	174.4	0	0	0	0	0	112.2	L137 Y138 D139	G117-L137 WeakPolarHBondContact O-CD1 3.48Å; G117-Y138 PolarHBondContact N-O 3.18Å; G117-Y138 CarbonylContact O-C 3.59Å; G117-D139 WeakPolarHBondContact O-CA 3.17Å
118	S	87.1	Confident	85	Confident	8 Å²	8	24.6 Å²	24.6	6%	0.056	14%	0.139	C	C	.	.			trans	-82.7	169.6	174.8	71.2	0	0	0	0	111.6	R95 S120	R95-S118 PolarHBondContact NH1-OG 2.93Å; R95-S118 PolarHBondContact NH2-OG 3.06Å; S118-S120 PolarHBondContact O-N 2.93Å
119	E	86.9	Confident	85.2	Confident	80 Å²	80	23.8 Å²	23.8	37%	0.374	13%	0.13	S	C	.	.			trans	-52.2	137.6	166.7	-77.7	-69.1	175.4	0	0	111.5	L137 R146	E119-L137 HydrophobicContact CG-CD2 4.01Å; E119-R146 IonicContact OE1-CZ 2.71Å; E119-R146 IonicContact OE1-NH1 3.46Å; E119-R146 PolarHBondContact OE1-NH1 3.45Å; E119-R146 IonicContact OE1-NH2 2.62Å; E119-R146 PolarHBondContact OE1-NH2 3.39Å
120	S	83.3	Confident	85.5	Confident	19 Å²	19	22.3 Å²	22.3	13%	0.133	12%	0.119	C	C	.	.			trans	-160.1	162	-179.9	68.9	0	0	0	0	110.9	S118 R122 L123 N124	S118-S120 PolarHBondContact O-N 2.93Å; S120-R122 PolarHBondContact O-N 3.23Å; S120-R122 VanDerWaalsContact O-N 3.17Å; S120-R122 PolarHBondContact OG-N 2.95Å; S120-L123 PolarHBondContact O-N 2.84Å; S120-L123 PolarHBondContact OG-N 2.63Å; S120-N124 PolarHBondContact O-N 3.47Å
121	C	80.6	Confident	85.7	Confident	23 Å²	23	17.7 Å²	17.7	16%	0.155	10%	0.095	C	C	.	.	H	α-helix	trans	-60.5	-22.4	172	57.8	0	0	0	0	113.6	L125 Y231	C121-L125 WeakPolarHBondContact O-CB 3.32Å; C121-L125 PolarHBondContact O-N 3.47Å; C121-Y231 VanDerWaalsContact CB-O 3.25Å; C121-Y231 WeakPolarHBondContact CB-O 3.42Å
122	R	82.6	Confident	85.7	Confident	37 Å²	37	18.1 Å²	18.1	14%	0.14	10%	0.095	C	C	.	.	H	α-helix	trans	-70.9	-47.4	174.1	-69.4	174	-178	66.8	-0.3	111.4	C44 Q94 S120 N124 L125 L126 Y231	C44-R122 PolarHBondContact O-NH2 3.01Å; Q94-R122 VanDerWaalsContact NE2-CZ 3.33Å; Q94-R122 VanDerWaalsContact NE2-NH2 3.19Å; S120-R122 PolarHBondContact O-N 3.23Å; S120-R122 VanDerWaalsContact O-N 3.17Å; S120-R122 PolarHBondContact OG-N 2.95Å; R122-N124 VanDerWaalsContact C-N 3.31Å; R122-N124 PolarHBondContact O-N 2.73Å; R122-L125 PolarHBondContact O-N 3.1Å; R122-L126 VanDerWaalsContact O-CB 3.3Å; R122-L126 WeakPolarHBondContact O-CB 3.38Å; R122-L126 PolarHBondContact O-N 2.88Å; R122-Y231 HydrophobicContact CB-CD1 4.27Å; R122-Y231 HydrophobicContact CB-CE1 4.27Å; R122-Y231 HydrophobicContact CG-CD1 3.65Å; R122-Y231 HydrophobicContact CG-CE1 3.65Å; R122-Y231 HydrophobicContact CG-CG 4.22Å
123	L	86.5	Confident	85.7	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-60.2	-45.4	174.7	178.5	61	0	0	0	110.3	F115 S120 L125 L126 T127 I135 L137	F115-L123 HydrophobicContact CB-CD1 4Å; F115-L123 HydrophobicContact CD1-CD1 4.21Å; F115-L123 HydrophobicContact CD1-CD2 4.47Å; F115-L123 HydrophobicContact CD2-CD1 3.92Å; F115-L123 HydrophobicContact CE1-CB 4.45Å; F115-L123 HydrophobicContact CE2-CB 4.48Å; F115-L123 HydrophobicContact CE2-CD1 4.45Å; F115-L123 HydrophobicContact CG-CD1 3.79Å; F115-L123 HydrophobicContact CZ-CB 4.32Å; S120-L123 PolarHBondContact O-N 2.84Å; S120-L123 PolarHBondContact OG-N 2.63Å; L123-L125 PolarHBondContact O-N 3.29Å; L123-L126 HydrophobicContact CD1-CD2 4.47Å; L123-L126 WeakPolarHBondContact O-CB 3.39Å; L123-L126 PolarHBondContact O-N 2.81Å; L123-T127 HydrophobicContact CD1-CG2 3.82Å; L123-T127 HydrophobicContact CG-CG2 4.18Å; L123-T127 WeakPolarHBondContact O-CG2 2.89Å; L123-T127 PolarHBondContact O-N 3.11Å; L123-T127 PolarHBondContact O-OG1 3.2Å; L123-I135 HydrophobicContact CD1-CG2 4.02Å; L123-L137 HydrophobicContact CD2-CB 4.32Å; L123-L137 HydrophobicContact CD2-CD1 3.58Å; L123-L137 HydrophobicContact CD2-CD2 3.7Å; L123-L137 HydrophobicContact CD2-CG 4.06Å
124	N	86.4	Confident	85.6	Confident	44 Å²	44	23.1 Å²	23.1	24%	0.235	11%	0.114	C	C	.	.	H	α-helix	trans	-60	-42.8	177.6	-169.8	61.1	0	0	0	112.9	S120 R122 T127 L128 Q155	S120-N124 PolarHBondContact O-N 3.47Å; R122-N124 VanDerWaalsContact C-N 3.31Å; R122-N124 PolarHBondContact O-N 2.73Å; N124-T127 PolarHBondContact O-OG1 3.06Å; N124-L128 WeakPolarHBondContact O-CB 3.4Å; N124-L128 WeakPolarHBondContact O-CG 3.47Å; N124-L128 PolarHBondContact O-N 3.25Å; N124-Q155 PolarHBondContact OD1-NE2 3.09Å; N124-Q155 PolarHBondContact OD1-OE1 2.69Å
125	L	84.1	Confident	85.6	Confident	16 Å²	16	23 Å²	23	8%	0.084	11%	0.114	C	C	.	.	H	α-helix	trans	-66	-44.1	175.5	-178.5	62.2	0	0	0	111.5	C121 R122 L123 T127 L128 Q129 P230 Y231 L234	C121-L125 WeakPolarHBondContact O-CB 3.32Å; C121-L125 PolarHBondContact O-N 3.47Å; R122-L125 PolarHBondContact O-N 3.1Å; L123-L125 PolarHBondContact O-N 3.29Å; L125-T127 VanDerWaalsContact C-N 3.33Å; L125-T127 PolarHBondContact O-N 3.31Å; L125-L128 PolarHBondContact O-N 3.26Å; L125-Q129 HydrophobicContact CD1-CG 4.24Å; L125-Q129 HydrophobicContact CG-CG 4.42Å; L125-Q129 WeakPolarHBondContact O-CB 3.32Å; L125-Q129 VanDerWaalsContact O-CG 3.28Å; L125-Q129 WeakPolarHBondContact O-CG 3.37Å; L125-Q129 PolarHBondContact O-N 3.35Å; L125-P230 HydrophobicContact CD2-CB 4.42Å; L125-Y231 HydrophobicContact CB-CD1 4.3Å; L125-Y231 HydrophobicContact CD2-CD1 3.53Å; L125-Y231 HydrophobicContact CD2-CE1 3.75Å; L125-Y231 HydrophobicContact CD2-CG 4.38Å; L125-L234 HydrophobicContact CD1-CD1 3.83Å
126	L	84.2	Confident	85.6	Confident	14 Å²	14	23.5 Å²	23.5	7%	0.073	12%	0.116	C	C	.	.	H	α-helix	trans	-59.2	-43.7	179.1	177.1	72.6	0	0	0	111.9	I91 L105 L107 F115 R122 L123 Q129 N130 I135	I91-L126 HydrophobicContact CD1-CD1 4.46Å; I91-L126 HydrophobicContact CD1-CD2 3.54Å; L105-L126 HydrophobicContact CB-CD1 4.32Å; L105-L126 HydrophobicContact CD2-CD1 4.28Å; L107-L126 HydrophobicContact CD1-CD1 4.08Å; L107-L126 HydrophobicContact CD1-CG 4.47Å; F115-L126 HydrophobicContact CD2-CD2 4Å; R122-L126 VanDerWaalsContact O-CB 3.3Å; R122-L126 WeakPolarHBondContact O-CB 3.38Å; R122-L126 PolarHBondContact O-N 2.88Å; L123-L126 HydrophobicContact CD1-CD2 4.47Å; L123-L126 WeakPolarHBondContact O-CB 3.39Å; L123-L126 PolarHBondContact O-N 2.81Å; L126-Q129 PolarHBondContact O-N 3.11Å; L126-N130 PolarHBondContact O-N 2.76Å; L126-N130 VanDerWaalsContact O-N 3.07Å; L126-N130 PolarHBondContact O-ND2 3.44Å; L126-I135 HydrophobicContact CD2-CD1 4.31Å; L126-I135 HydrophobicContact CG-CD1 4.15Å
127	T	86.7	Confident	85.6	Confident	3 Å²	3	23.5 Å²	23.5	2%	0.018	12%	0.116	C	C	.	.	H	α-helix	trans	-69.7	-37	-178.6	61.6	0	0	0	0	111.6	L123 N124 L125 N130 I135 N149 V152	L123-T127 HydrophobicContact CD1-CG2 3.82Å; L123-T127 HydrophobicContact CG-CG2 4.18Å; L123-T127 WeakPolarHBondContact O-CG2 2.89Å; L123-T127 PolarHBondContact O-N 3.11Å; L123-T127 PolarHBondContact O-OG1 3.2Å; N124-T127 PolarHBondContact O-OG1 3.06Å; L125-T127 VanDerWaalsContact C-N 3.33Å; L125-T127 PolarHBondContact O-N 3.31Å; T127-N130 CarbonylContact O-C 3.51Å; T127-N130 PolarHBondContact O-N 3.43Å; T127-I135 HydrophobicContact CG2-CB 4.34Å; T127-I135 HydrophobicContact CG2-CD1 3.72Å; T127-I135 HydrophobicContact CG2-CG2 4.3Å; T127-N149 HydrophobicContact CG2-CB 4.17Å; T127-V152 VanDerWaalsContact CB-CG2 3.48Å
128	L	84.5	Confident	85.7	Confident	16 Å²	16	23.6 Å²	23.6	8%	0.084	12%	0.116	C	C	.	.	H	α-helix	trans	-69.2	-33.3	172.9	-77.7	167.1	0	0	0	113.7	N124 L125 V152 Q155 L156 L234	N124-L128 WeakPolarHBondContact O-CB 3.4Å; N124-L128 WeakPolarHBondContact O-CG 3.47Å; N124-L128 PolarHBondContact O-N 3.25Å; L125-L128 PolarHBondContact O-N 3.26Å; L128-V152 HydrophobicContact CD2-CG1 4.35Å; L128-Q155 HydrophobicContact CD2-CB 3.83Å; L128-L156 HydrophobicContact CD2-CD2 3.84Å; L128-L156 HydrophobicContact CD2-CG 3.87Å; L128-L234 HydrophobicContact CD1-CD1 3.4Å; L128-L234 VanDerWaalsContact CD1-CD1 3.4Å
129	Q	79.8	Confident	85.9	Confident	47 Å²	47	24.3 Å²	24.3	22%	0.22	12%	0.119	C	C	.	.	H	α-helix	trans	-74.5	-26.5	176.3	-75	177.1	-27.8	0	0	113	L125 L126 P131 L266	L125-Q129 HydrophobicContact CD1-CG 4.24Å; L125-Q129 HydrophobicContact CG-CG 4.42Å; L125-Q129 WeakPolarHBondContact O-CB 3.32Å; L125-Q129 VanDerWaalsContact O-CG 3.28Å; L125-Q129 WeakPolarHBondContact O-CG 3.37Å; L125-Q129 PolarHBondContact O-N 3.35Å; L126-Q129 PolarHBondContact O-N 3.11Å; Q129-P131 WeakPolarHBondContact O-CD 3.44Å; Q129-L266 VanDerWaalsContact NE2-CD1 3.32Å
130	N	83.4	Confident	86.1	Confident	15 Å²	15	21.6 Å²	21.6	8%	0.08	11%	0.109	C	C	.	.			trans	-125.5	58.4	-175.8	-61.3	-85.2	0	0	0	111.4	L105 L107 L126 T127 T132 V133	L105-N130 PolarHBondContact O-ND2 2.94Å; L107-N130 HydrophobicContact CB-CB 4.35Å; L107-N130 WeakPolarHBondContact CB-OD1 3.44Å; L107-N130 HydrophobicContact CD1-CB 4.17Å; L107-N130 PolarHBondContact N-OD1 3.14Å; L107-N130 VanDerWaalsContact N-OD1 3.14Å; L126-N130 PolarHBondContact O-N 2.76Å; L126-N130 VanDerWaalsContact O-N 3.07Å; L126-N130 PolarHBondContact O-ND2 3.44Å; T127-N130 CarbonylContact O-C 3.51Å; T127-N130 PolarHBondContact O-N 3.43Å; N130-T132 PolarHBondContact O-N 2.86Å; N130-V133 HydrophobicContact CB-CB 4.07Å; N130-V133 HydrophobicContact CB-CG2 3.86Å; N130-V133 WeakPolarHBondContact O-CB 3.47Å; N130-V133 PolarHBondContact O-N 2.79Å
131	P	84.2	Confident	86.4	Confident	23 Å²	23	26.4 Å²	26.4	15%	0.149	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-22.7	-169.6	28.5	-36.2	0	0	0	113.9	Q129 V133 V152 L156 Y286	Q129-P131 WeakPolarHBondContact O-CD 3.44Å; P131-V133 VanDerWaalsContact C-N 3.33Å; P131-V152 HydrophobicContact CB-CG1 3.78Å; P131-L156 HydrophobicContact CB-CD1 3.68Å; P131-L156 HydrophobicContact CG-CD1 4.25Å; P131-Y286 HydrophobicContact CG-CE2 4.23Å; P131-Y286 WeakPolarHBondContact CG-OH 3.49Å
132	T	83.6	Confident	86.9	Confident	24 Å²	24	29 Å²	29	15%	0.147	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-14.5	176.2	58.9	0	0	0	0	113.1	N110 N130 F285	N110-T132 WeakPolarHBondContact CA-O 3.33Å; N130-T132 PolarHBondContact O-N 2.86Å; T132-F285 HydrophobicContact CG2-CB 4.45Å; T132-F285 HydrophobicContact CG2-CD1 4.45Å; T132-F285 HydrophobicContact CG2-CD2 4.39Å; T132-F285 HydrophobicContact CG2-CG 4.18Å
133	V	85	Confident	87.4	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.012	16%	0.162	C	C	.	.	S	Bend	trans	-89.3	133.3	-175.2	-178.1	0	0	0	0	109.5	L107 P108 G111 A113 N130 P131 I135 N149	L107-V133 HydrophobicContact CB-CB 4.46Å; L107-V133 HydrophobicContact CB-CG1 4.16Å; L107-V133 HydrophobicContact CB-CG2 3.83Å; L107-V133 HydrophobicContact CD1-CG1 4.01Å; P108-V133 VanDerWaalsContact O-CG2 3.3Å; P108-V133 WeakPolarHBondContact O-CG2 3.48Å; G111-V133 WeakPolarHBondContact O-CG1 3.02Å; A113-V133 HydrophobicContact CB-CG1 4.17Å; N130-V133 HydrophobicContact CB-CB 4.07Å; N130-V133 HydrophobicContact CB-CG2 3.86Å; N130-V133 WeakPolarHBondContact O-CB 3.47Å; N130-V133 PolarHBondContact O-N 2.79Å; P131-V133 VanDerWaalsContact C-N 3.33Å; V133-I135 HydrophobicContact CB-CG1 4.38Å; V133-I135 HydrophobicContact CG1-CG1 4.05Å; V133-I135 PolarHBondContact O-N 2.79Å; V133-N149 PolarHBondContact O-ND2 2.84Å
134	R	87.6	Confident	87.5	Confident	103 Å²	103	39 Å²	39	39%	0.389	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	101.7	173.8	-62.6	179.7	-168.9	139.8	0.3	108.8	E86 G111 T112 A113 Y136	E86-R134 IonicContact OE2-NH1 3.9Å; E86-R134 PolarHBondContact OE2-NH1 3.31Å; E86-R134 VanDerWaalsContact OE2-NH1 3.08Å; G111-R134 PolarHBondContact O-N 3.4Å; T112-R134 WeakPolarHBondContact CA-O 3.43Å; A113-R134 PolarHBondContact N-O 3.21Å; R134-Y136 HydrophobicContact CB-CE2 4.46Å
135	I	88.9	Confident	87.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.8	179.6	-59.8	169.4	0	0	0	109	L107 A113 F115 L123 L126 T127 V133 G148	L107-I135 HydrophobicContact CD1-CD1 4.25Å; L107-I135 HydrophobicContact CD1-CG1 4.45Å; A113-I135 HydrophobicContact CB-CG1 4.41Å; A113-I135 WeakPolarHBondContact O-CA 3.31Å; F115-I135 HydrophobicContact CB-CG2 4.33Å; L123-I135 HydrophobicContact CD1-CG2 4.02Å; L126-I135 HydrophobicContact CD2-CD1 4.31Å; L126-I135 HydrophobicContact CG-CD1 4.15Å; T127-I135 HydrophobicContact CG2-CB 4.34Å; T127-I135 HydrophobicContact CG2-CD1 3.72Å; T127-I135 HydrophobicContact CG2-CG2 4.3Å; V133-I135 HydrophobicContact CB-CG1 4.38Å; V133-I135 HydrophobicContact CG1-CG1 4.05Å; V133-I135 PolarHBondContact O-N 2.79Å; I135-G148 PolarHBondContact O-N 2.89Å
136	Y	90	Very high	88	Confident	17 Å²	17	42.4 Å²	42.4	7%	0.067	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	143.7	169.7	-63.9	-71.9	0	0	0	110.1	T81 F82 T112 A113 F115 R134 R146 R147	T81-Y136 PolarHBondContact O-OH 2.88Å; F82-Y136 AromaticContact CD1-CD1 3.4Å; F82-Y136 HydrophobicContact CD1-CD1 3.4Å; F82-Y136 VanDerWaalsContact CD1-CD1 3.4Å; F82-Y136 HydrophobicContact CD1-CD2 4.47Å; F82-Y136 AromaticContact CD1-CE1 3.1Å; F82-Y136 HydrophobicContact CD1-CE1 3.1Å; F82-Y136 HydrophobicContact CD1-CE2 4.24Å; F82-Y136 HydrophobicContact CD1-CG 4.08Å; F82-Y136 AromaticContact CD1-CZ 3.55Å; F82-Y136 AromaticContact CE1-CD1 3.36Å; F82-Y136 HydrophobicContact CE1-CD1 3.36Å; F82-Y136 AromaticContact CE1-CE1 3.33Å; F82-Y136 HydrophobicContact CE1-CE1 3.33Å; F82-Y136 HydrophobicContact CE1-CG 4.29Å; F82-Y136 HydrophobicContact CG-CE1 4.22Å; T112-Y136 HydrophobicContact CG2-CD2 3.72Å; T112-Y136 HydrophobicContact CG2-CE2 3.58Å; A113-Y136 PolarHBondContact O-N 3.06Å; F115-Y136 PolarHBondContact N-O 3.42Å; R134-Y136 HydrophobicContact CB-CE2 4.46Å; Y136-R146 CarbonylContact C-O 3.54Å; Y136-R146 WeakPolarHBondContact CA-O 3.45Å; Y136-R147 HydrophobicContact CD1-CB 4.33Å; Y136-R147 HydrophobicContact CE1-CB 4.36Å
137	L	91.8	Very high	88.2	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.8	178.5	177.3	62.6	0	0	0	108.7	F115 G117 E119 L123 I145 R146	F115-L137 HydrophobicContact CB-CD1 4.33Å; F115-L137 HydrophobicContact CD1-CD1 3.41Å; F115-L137 VanDerWaalsContact CD1-CD1 3.41Å; F115-L137 HydrophobicContact CE1-CD1 4.12Å; F115-L137 HydrophobicContact CG-CD1 4.27Å; F115-L137 WeakPolarHBondContact O-CA 3.48Å; G117-L137 WeakPolarHBondContact O-CD1 3.48Å; E119-L137 HydrophobicContact CG-CD2 4.01Å; L123-L137 HydrophobicContact CD2-CB 4.32Å; L123-L137 HydrophobicContact CD2-CD1 3.58Å; L123-L137 HydrophobicContact CD2-CD2 3.7Å; L123-L137 HydrophobicContact CD2-CG 4.06Å; L137-I145 CarbonylContact O-C 3.56Å; L137-I145 VanDerWaalsContact O-CA 3.27Å; L137-I145 WeakPolarHBondContact O-CA 3.38Å; L137-R146 HydrophobicContact CB-CG 4.34Å; L137-R146 PolarHBondContact N-O 3.38Å; L137-R146 PolarHBondContact O-N 3.1Å
138	Y	92	Very high	88	Confident	3 Å²	3	47.5 Å²	47.5	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117.3	162.5	172.9	-104.6	0	0	0	109.1	L64 L69 C72 F115 I116 G117 P140 K144 I145	L64-Y138 HydrophobicContact CD1-CE1 4.36Å; L69-Y138 HydrophobicContact CB-CE1 3.91Å; L69-Y138 HydrophobicContact CB-CE2 4.31Å; L69-Y138 HydrophobicContact CD1-CD1 3.7Å; L69-Y138 HydrophobicContact CD1-CD2 3.86Å; L69-Y138 HydrophobicContact CD1-CE1 3.98Å; L69-Y138 HydrophobicContact CD1-CE2 4.14Å; L69-Y138 HydrophobicContact CD1-CG 3.62Å; L69-Y138 HydrophobicContact CG-CE1 4.38Å; L69-Y138 PolarHBondContact N-OH 2.88Å; C72-Y138 HydrophobicContact CB-CD2 4.44Å; C72-Y138 HydrophobicContact CB-CE2 4.28Å; F115-Y138 PolarHBondContact O-N 3.1Å; I116-Y138 WeakPolarHBondContact CA-O 3.41Å; I116-Y138 HydrophobicContact CG1-CD1 4.25Å; I116-Y138 HydrophobicContact CG2-CD1 4.12Å; G117-Y138 PolarHBondContact N-O 3.18Å; G117-Y138 CarbonylContact O-C 3.59Å; Y138-P140 HydrophobicContact CD1-CG 4.08Å; Y138-P140 HydrophobicContact CE1-CB 4.15Å; Y138-P140 HydrophobicContact CE1-CG 3.81Å; Y138-P140 WeakPolarHBondContact O-CD 3.49Å; Y138-K144 WeakPolarHBondContact CA-O 3.41Å; Y138-I145 HydrophobicContact CD2-CG1 3.77Å; Y138-I145 HydrophobicContact CG-CG1 4.4Å
139	D	92.4	Very high	87.9	Confident	22 Å²	22	47.2 Å²	47.2	12%	0.118	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	111.8	175.6	-173.5	-26.8	0	0	0	110.3	G117 Q141 T142 M143 K144	G117-D139 WeakPolarHBondContact O-CA 3.17Å; D139-Q141 PolarHBondContact O-N 2.95Å; D139-Q141 WeakPolarHBondContact OD1-CB 3.35Å; D139-Q141 PolarHBondContact OD1-N 3.16Å; D139-T142 WeakPolarHBondContact CB-OG1 3.45Å; D139-T142 PolarHBondContact O-N 3.2Å; D139-M143 WeakPolarHBondContact O-CA 3.1Å; D139-M143 PolarHBondContact O-N 3.12Å; D139-K144 PolarHBondContact N-O 3.46Å; D139-K144 VanDerWaalsContact N-O 3.09Å
140	P	91.1	Very high	88.1	Confident	24 Å²	24	51.4 Å²	51.4	16%	0.156	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.4	-179.5	-25.3	37.1	0	0	0	114.3	L64 Y96 I116 Y138	L64-P140 HydrophobicContact CD1-CB 4.11Å; L64-P140 HydrophobicContact CD1-CG 3.73Å; Y96-P140 HydrophobicContact CE1-CB 4.4Å; Y96-P140 HydrophobicContact CE1-CG 4.14Å; Y96-P140 HydrophobicContact CE2-CG 3.85Å; I116-P140 HydrophobicContact CG2-CG 4.15Å; Y138-P140 HydrophobicContact CD1-CG 4.08Å; Y138-P140 HydrophobicContact CE1-CB 4.15Å; Y138-P140 HydrophobicContact CE1-CG 3.81Å; Y138-P140 WeakPolarHBondContact O-CD 3.49Å
141	Q	88.7	Confident	88.2	Confident	120 Å²	120	54.5 Å²	54.5	56%	0.561	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-38.1	178.9	-60.1	-175.3	-5.4	0	0	111.8	D139	D139-Q141 PolarHBondContact O-N 2.95Å; D139-Q141 WeakPolarHBondContact OD1-CB 3.35Å; D139-Q141 PolarHBondContact OD1-N 3.16Å
142	T	91.9	Very high	88.3	Confident	77 Å²	77	53.6 Å²	53.6	47%	0.472	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-11.7	-179.4	69.4	0	0	0	0	113.2	D139 K144	D139-T142 WeakPolarHBondContact CB-OG1 3.45Å; D139-T142 PolarHBondContact O-N 3.2Å; T142-K144 WeakPolarHBondContact O-CG 3.38Å; T142-K144 PolarHBondContact O-N 3.25Å
143	M	91.5	Very high	88.4	Confident	105 Å²	105	56.3 Å²	56.3	52%	0.517	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	43.2	-175.9	-54.7	179.2	-169.9	0	0	112	P68 C72 D139	P68-M143 HydrophobicContact CB-CB 4.39Å; P68-M143 HydrophobicContact CB-CG 4.06Å; P68-M143 HydrophobicContact CB-SD 3.85Å; P68-M143 HydrophobicContact CG-CE 4.4Å; P68-M143 HydrophobicContact CG-SD 4.05Å; C72-M143 PolarHBondContact SG-O 3.14Å; D139-M143 WeakPolarHBondContact O-CA 3.1Å; D139-M143 PolarHBondContact O-N 3.12Å
144	K	90.6	Very high	88.5	Confident	143 Å²	143	58.5 Å²	58.5	62%	0.622	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.9	-179	-72.6	176.1	-176.4	-177.2	0	110.9	Y138 D139 T142	Y138-K144 WeakPolarHBondContact CA-O 3.41Å; D139-K144 PolarHBondContact N-O 3.46Å; D139-K144 VanDerWaalsContact N-O 3.09Å; T142-K144 WeakPolarHBondContact O-CG 3.38Å; T142-K144 PolarHBondContact O-N 3.25Å
145	I	89.8	Confident	88.6	Confident	26 Å²	26	55.9 Å²	55.9	13%	0.133	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.8	167.5	-59.5	176.8	0	0	0	107.9	C72 L73 F82 F84 L137 Y138	C72-I145 HydrophobicContact CB-CD1 3.71Å; C72-I145 HydrophobicContact CB-CG1 3.89Å; L73-I145 HydrophobicContact CD2-CD1 3.74Å; L73-I145 HydrophobicContact CG-CD1 4.19Å; F82-I145 HydrophobicContact CD1-CG2 4.33Å; F82-I145 HydrophobicContact CE1-CG2 3.75Å; F82-I145 HydrophobicContact CZ-CG2 4.31Å; F84-I145 HydrophobicContact CZ-CD1 4.15Å; F84-I145 HydrophobicContact CZ-CG2 4.43Å; L137-I145 CarbonylContact O-C 3.56Å; L137-I145 VanDerWaalsContact O-CA 3.27Å; L137-I145 WeakPolarHBondContact O-CA 3.38Å; Y138-I145 HydrophobicContact CD2-CG1 3.77Å; Y138-I145 HydrophobicContact CG-CG1 4.4Å
146	R	89.7	Confident	88.5	Confident	105 Å²	105	56.5 Å²	56.5	40%	0.396	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	172.1	169.5	62.6	176.4	172.1	93.5	-6.7	110.8	E119 Y136 L137	E119-R146 IonicContact OE1-CZ 2.71Å; E119-R146 IonicContact OE1-NH1 3.46Å; E119-R146 PolarHBondContact OE1-NH1 3.45Å; E119-R146 IonicContact OE1-NH2 2.62Å; E119-R146 PolarHBondContact OE1-NH2 3.39Å; Y136-R146 CarbonylContact C-O 3.54Å; Y136-R146 WeakPolarHBondContact CA-O 3.45Å; L137-R146 HydrophobicContact CB-CG 4.34Å; L137-R146 PolarHBondContact N-O 3.38Å; L137-R146 PolarHBondContact O-N 3.1Å
147	R	88.1	Confident	88.4	Confident	115 Å²	115	63 Å²	63	43%	0.434	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	123.9	174.1	-173.8	174	178.7	174	2.7	109.4	Y136 N149 E150	Y136-R147 HydrophobicContact CD1-CB 4.33Å; Y136-R147 HydrophobicContact CE1-CB 4.36Å; R147-N149 WeakPolarHBondContact CG-OD1 3.14Å; R147-N149 PolarHBondContact NE-OD1 3.37Å; R147-E150 HydrophobicContact CB-CG 3.72Å; R147-E150 WeakPolarHBondContact CB-OE1 3.18Å; R147-E150 HydrophobicContact CG-CG 3.72Å
148	G	83.4	Confident	88.3	Confident	10 Å²	10	67.7 Å²	67.7	10%	0.103	32%	0.324	C	S	.	.	S	Bend	trans	-88	-12	-175.7	0	0	0	0	0	114.1	I135	I135-G148 PolarHBondContact O-N 2.89Å
149	N	82.6	Confident	88.3	Confident	10 Å²	10	68.3 Å²	68.3	5%	0.053	33%	0.326	C	S	.	.			trans	-113.2	18.5	-174.7	72.1	-17.8	0	0	0	114.6	T127 V133 R147 T151 V152	T127-N149 HydrophobicContact CG2-CB 4.17Å; V133-N149 PolarHBondContact O-ND2 2.84Å; R147-N149 WeakPolarHBondContact CG-OD1 3.14Å; R147-N149 PolarHBondContact NE-OD1 3.37Å; N149-T151 VanDerWaalsContact C-N 3.3Å; N149-T151 PolarHBondContact O-N 3.29Å; N149-V152 HydrophobicContact CB-CB 4.43Å; N149-V152 HydrophobicContact CB-CG2 3.68Å; N149-V152 WeakPolarHBondContact O-CB 3.18Å; N149-V152 PolarHBondContact O-N 3.49Å
150	E	82.9	Confident	88	Confident	134 Å²	134	69.2 Å²	69.2	63%	0.626	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-38.2	-176.8	-66.5	-179.1	167	0	0	113	R147	R147-E150 HydrophobicContact CB-CG 3.72Å; R147-E150 WeakPolarHBondContact CB-OE1 3.18Å; R147-E150 HydrophobicContact CG-CG 3.72Å
151	T	86	Confident	88.1	Confident	81 Å²	81	72.9 Å²	72.9	50%	0.497	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-6.1	-176.4	56.8	0	0	0	0	113.7	N149 N153 A154 Q155	N149-T151 VanDerWaalsContact C-N 3.3Å; N149-T151 PolarHBondContact O-N 3.29Å; T151-N153 VanDerWaalsContact C-N 3.3Å; T151-N153 PolarHBondContact O-N 2.82Å; T151-A154 WeakPolarHBondContact O-CB 3.1Å; T151-A154 PolarHBondContact O-N 2.89Å; T151-Q155 WeakPolarHBondContact O-CG 3.44Å; T151-Q155 PolarHBondContact O-N 2.9Å
152	V	86.3	Confident	88.3	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.018	32%	0.315	C	S	.	.	H	α-helix	trans	-57.1	-42.2	-173	168.8	0	0	0	0	112.1	T127 L128 P131 N149 A154 Q155 L156	T127-V152 VanDerWaalsContact CB-CG2 3.48Å; L128-V152 HydrophobicContact CD2-CG1 4.35Å; P131-V152 HydrophobicContact CB-CG1 3.78Å; N149-V152 HydrophobicContact CB-CB 4.43Å; N149-V152 HydrophobicContact CB-CG2 3.68Å; N149-V152 WeakPolarHBondContact O-CB 3.18Å; N149-V152 PolarHBondContact O-N 3.49Å; V152-A154 VanDerWaalsContact C-N 3.31Å; V152-A154 PolarHBondContact O-N 3.22Å; V152-Q155 PolarHBondContact O-N 2.81Å; V152-L156 HydrophobicContact CG1-CD1 3.78Å; V152-L156 HydrophobicContact CG1-CG 4.14Å; V152-L156 WeakPolarHBondContact O-CB 3.44Å; V152-L156 VanDerWaalsContact O-CG 3.28Å; V152-L156 WeakPolarHBondContact O-CG 3.32Å; V152-L156 PolarHBondContact O-N 2.82Å
153	N	85.2	Confident	88.2	Confident	82 Å²	82	64.3 Å²	64.3	44%	0.439	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-36.3	178.6	-74.3	-33.9	0	0	0	112.4	T151 R157	T151-N153 VanDerWaalsContact C-N 3.3Å; T151-N153 PolarHBondContact O-N 2.82Å; N153-R157 WeakPolarHBondContact O-CG 3.26Å; N153-R157 PolarHBondContact O-N 3.02Å; N153-R157 VanDerWaalsContact O-N 3.09Å; N153-R157 PolarHBondContact O-NH1 3.46Å
154	A	88.2	Confident	88.2	Confident	47 Å²	47	62.9 Å²	62.9	39%	0.388	29%	0.289	S	S	.	.	H	α-helix	trans	-69.9	-43.7	176.2	0	0	0	0	0	111	T151 V152 R157 R158	T151-A154 WeakPolarHBondContact O-CB 3.1Å; T151-A154 PolarHBondContact O-N 2.89Å; V152-A154 VanDerWaalsContact C-N 3.31Å; V152-A154 PolarHBondContact O-N 3.22Å; A154-R157 PolarHBondContact O-N 3.49Å; A154-R158 WeakPolarHBondContact O-CB 3.39Å; A154-R158 PolarHBondContact O-N 2.95Å
155	Q	88.6	Confident	88.4	Confident	48 Å²	48	59.7 Å²	59.7	22%	0.224	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-47.4	175.1	-69	176.8	-30	0	0	111.4	N124 L128 T151 V152 R157 R158 R159	N124-Q155 PolarHBondContact OD1-NE2 3.09Å; N124-Q155 PolarHBondContact OD1-OE1 2.69Å; L128-Q155 HydrophobicContact CD2-CB 3.83Å; T151-Q155 WeakPolarHBondContact O-CG 3.44Å; T151-Q155 PolarHBondContact O-N 2.9Å; V152-Q155 PolarHBondContact O-N 2.81Å; Q155-R157 PolarHBondContact O-N 3.31Å; Q155-R158 CarbonylContact O-C 3.58Å; Q155-R158 WeakPolarHBondContact O-CB 3.4Å; Q155-R158 PolarHBondContact O-N 2.86Å; Q155-R158 VanDerWaalsContact O-N 3.12Å; Q155-R159 WeakPolarHBondContact O-CG 3.35Å; Q155-R159 PolarHBondContact O-N 2.92Å
156	L	87.9	Confident	88.6	Confident	13 Å²	13	58.4 Å²	58.4	7%	0.068	27%	0.269	C	S	.	.	H	α-helix	trans	-58.5	-46	176.5	-75.5	171.6	0	0	0	112.3	L128 P131 V152 R158 R159 M160 W260 Y286	L128-L156 HydrophobicContact CD2-CD2 3.84Å; L128-L156 HydrophobicContact CD2-CG 3.87Å; P131-L156 HydrophobicContact CB-CD1 3.68Å; P131-L156 HydrophobicContact CG-CD1 4.25Å; V152-L156 HydrophobicContact CG1-CD1 3.78Å; V152-L156 HydrophobicContact CG1-CG 4.14Å; V152-L156 WeakPolarHBondContact O-CB 3.44Å; V152-L156 VanDerWaalsContact O-CG 3.28Å; V152-L156 WeakPolarHBondContact O-CG 3.32Å; V152-L156 PolarHBondContact O-N 2.82Å; L156-R158 VanDerWaalsContact C-N 3.27Å; L156-R158 PolarHBondContact O-N 2.66Å; L156-R159 PolarHBondContact O-N 3.2Å; L156-M160 WeakPolarHBondContact O-CB 3.38Å; L156-M160 VanDerWaalsContact O-CG 3.24Å; L156-M160 WeakPolarHBondContact O-CG 3.5Å; L156-M160 PolarHBondContact O-N 3.11Å; L156-W260 HydrophobicContact CD2-CH2 4.11Å; L156-W260 HydrophobicContact CD2-CZ2 4.16Å; L156-Y286 WeakPolarHBondContact CD1-OH 3.39Å
157	R	87.5	Confident	88.8	Confident	155 Å²	155	57.8 Å²	57.8	59%	0.585	27%	0.269	S	S	*	.	H	α-helix	trans	-56.7	-44	174.5	-78.5	-169.7	-59.3	-89.1	5.2	111.4	N153 A154 Q155 M160 Y161	N153-R157 WeakPolarHBondContact O-CG 3.26Å; N153-R157 PolarHBondContact O-N 3.02Å; N153-R157 VanDerWaalsContact O-N 3.09Å; N153-R157 PolarHBondContact O-NH1 3.46Å; A154-R157 PolarHBondContact O-N 3.49Å; Q155-R157 PolarHBondContact O-N 3.31Å; R157-M160 PolarHBondContact O-N 3.47Å; R157-Y161 PolarHBondContact O-N 3.29Å
158	R	90.9	Very high	89.1	Confident	99 Å²	99	58.3 Å²	58.3	37%	0.374	28%	0.276	S	S	.	.	H	α-helix	trans	-63.6	-46.3	177.6	177.7	53.5	177.5	-175.2	-1.3	111.7	A154 Q155 L156 M160 Y161 L162 D236	A154-R158 WeakPolarHBondContact O-CB 3.39Å; A154-R158 PolarHBondContact O-N 2.95Å; Q155-R158 CarbonylContact O-C 3.58Å; Q155-R158 WeakPolarHBondContact O-CB 3.4Å; Q155-R158 PolarHBondContact O-N 2.86Å; Q155-R158 VanDerWaalsContact O-N 3.12Å; L156-R158 VanDerWaalsContact C-N 3.27Å; L156-R158 PolarHBondContact O-N 2.66Å; R158-M160 VanDerWaalsContact C-N 3.32Å; R158-M160 PolarHBondContact O-N 2.99Å; R158-Y161 WeakPolarHBondContact O-CB 3.21Å; R158-Y161 PolarHBondContact O-N 3.05Å; R158-L162 WeakPolarHBondContact O-CG 3.34Å; R158-L162 PolarHBondContact O-N 2.86Å; R158-D236 WeakPolarHBondContact CG-OD2 3.39Å; R158-D236 IonicContact CZ-OD1 2.86Å; R158-D236 IonicContact NE-OD1 3.2Å; R158-D236 PolarHBondContact NE-OD1 3.13Å; R158-D236 IonicContact NE-OD2 2.66Å; R158-D236 IonicContact NH2-OD1 3.77Å
159	R	90.6	Very high	89.7	Confident	16 Å²	16	58.1 Å²	58.1	6%	0.06	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-40.5	175.9	-62.9	-46.7	-73.6	-174.6	-5.3	112.1	Q155 L156 L162 V163 I235 I244 E249	Q155-R159 WeakPolarHBondContact O-CG 3.35Å; Q155-R159 PolarHBondContact O-N 2.92Å; L156-R159 PolarHBondContact O-N 3.2Å; R159-L162 WeakPolarHBondContact O-CB 3.49Å; R159-L162 PolarHBondContact O-N 2.98Å; R159-L162 VanDerWaalsContact O-N 3.16Å; R159-V163 WeakPolarHBondContact O-CG2 3.34Å; R159-V163 PolarHBondContact O-N 2.68Å; R159-I235 PolarHBondContact NH1-O 3.43Å; R159-I244 PolarHBondContact NH1-O 3.41Å; R159-E249 WeakPolarHBondContact CB-OE1 3.44Å; R159-E249 IonicContact CZ-OE1 3.44Å; R159-E249 VanDerWaalsContact CZ-OE1 3.23Å; R159-E249 IonicContact CZ-OE2 3.04Å; R159-E249 IonicContact NE-OE1 2.95Å; R159-E249 PolarHBondContact NE-OE1 2.95Å; R159-E249 IonicContact NE-OE2 3.86Å; R159-E249 IonicContact NH2-OE1 3.8Å; R159-E249 PolarHBondContact NH2-OE1 3.23Å; R159-E249 VanDerWaalsContact NH2-OE1 3.1Å; R159-E249 IonicContact NH2-OE2 3.76Å; R159-E249 PolarHBondContact NH2-OE2 3.29Å
160	M	87.2	Confident	90.4	Very high	40 Å²	40	63.2 Å²	63.2	20%	0.197	30%	0.301	C	S	.	.	H	α-helix	trans	-63.9	-42	175.1	-70.6	165.7	155.8	0	0	112.8	L156 R157 R158 L162 V163 E164 Y286 W291	L156-M160 WeakPolarHBondContact O-CB 3.38Å; L156-M160 VanDerWaalsContact O-CG 3.24Å; L156-M160 WeakPolarHBondContact O-CG 3.5Å; L156-M160 PolarHBondContact O-N 3.11Å; R157-M160 PolarHBondContact O-N 3.47Å; R158-M160 VanDerWaalsContact C-N 3.32Å; R158-M160 PolarHBondContact O-N 2.99Å; M160-L162 VanDerWaalsContact C-N 3.25Å; M160-L162 PolarHBondContact O-N 3.38Å; M160-V163 WeakPolarHBondContact O-CB 3.35Å; M160-V163 PolarHBondContact O-N 2.74Å; M160-V163 VanDerWaalsContact O-N 3.11Å; M160-E164 PolarHBondContact O-N 2.63Å; M160-Y286 HydrophobicContact CE-CD1 3.68Å; M160-Y286 HydrophobicContact CE-CE1 3.42Å; M160-Y286 VanDerWaalsContact CE-CE1 3.42Å; M160-W291 HydrophobicContact CB-CH2 3.54Å; M160-W291 HydrophobicContact CB-CZ2 3.48Å; M160-W291 VanDerWaalsContact CB-CZ2 3.48Å; M160-W291 HydrophobicContact CE-CZ2 4.43Å; M160-W291 HydrophobicContact CG-CH2 4.34Å; M160-W291 HydrophobicContact CG-CZ2 3.82Å; M160-W291 HydrophobicContact SD-CH2 4.17Å; M160-W291 HydrophobicContact SD-CZ2 3.5Å; M160-W291 VanDerWaalsContact SD-CZ2 3.5Å
161	Y	91.8	Very high	91.1	Very high	102 Å²	102	57.8 Å²	57.8	40%	0.4	28%	0.277	S	S	.	.	H	α-helix	trans	-57.1	-40.3	171.6	162.7	-94.9	0	0	0	112	R157 R158 V163 E164 K165	R157-Y161 PolarHBondContact O-N 3.29Å; R158-Y161 WeakPolarHBondContact O-CB 3.21Å; R158-Y161 PolarHBondContact O-N 3.05Å; Y161-V163 VanDerWaalsContact C-N 3.33Å; Y161-V163 PolarHBondContact O-N 2.62Å; Y161-E164 PolarHBondContact O-N 3.1Å; Y161-K165 HydrophobicContact CE1-CG 3.99Å; Y161-K165 HydrophobicContact CE2-CG 4.02Å; Y161-K165 PolarHBondContact O-N 3.22Å; Y161-K165 WeakPolarHBondContact OH-CE 3.34Å
162	L	92.5	Very high	91.7	Very high	2 Å²	2	54 Å²	54	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-66.6	-34	176.3	-61	178.1	0	0	0	112.6	R158 R159 M160 K165 A166 P243 I245	R158-L162 WeakPolarHBondContact O-CG 3.34Å; R158-L162 PolarHBondContact O-N 2.86Å; R159-L162 WeakPolarHBondContact O-CB 3.49Å; R159-L162 PolarHBondContact O-N 2.98Å; R159-L162 VanDerWaalsContact O-N 3.16Å; M160-L162 VanDerWaalsContact C-N 3.25Å; M160-L162 PolarHBondContact O-N 3.38Å; L162-K165 PolarHBondContact O-N 2.76Å; L162-A166 WeakPolarHBondContact O-CB 3.44Å; L162-A166 PolarHBondContact O-N 3.49Å; L162-P243 HydrophobicContact CD2-CB 3.66Å; L162-I245 HydrophobicContact CB-CG2 3.65Å; L162-I245 HydrophobicContact CD1-CG2 4.27Å
163	V	91.7	Very high	92.2	Very high	15 Å²	15	53.8 Å²	53.8	9%	0.091	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-44.6	172.4	173.3	0	0	0	0	110.8	R159 M160 Y161 K165 A166 K167 E249 L252 A253	R159-V163 WeakPolarHBondContact O-CG2 3.34Å; R159-V163 PolarHBondContact O-N 2.68Å; M160-V163 WeakPolarHBondContact O-CB 3.35Å; M160-V163 PolarHBondContact O-N 2.74Å; M160-V163 VanDerWaalsContact O-N 3.11Å; Y161-V163 VanDerWaalsContact C-N 3.33Å; Y161-V163 PolarHBondContact O-N 2.62Å; V163-K165 VanDerWaalsContact C-N 3.34Å; V163-K165 PolarHBondContact O-N 3.04Å; V163-A166 WeakPolarHBondContact O-CB 3.19Å; V163-A166 PolarHBondContact O-N 3.11Å; V163-A166 VanDerWaalsContact O-N 3.13Å; V163-K167 PolarHBondContact O-N 2.93Å; V163-K167 VanDerWaalsContact O-N 3.09Å; V163-E249 HydrophobicContact CG2-CB 3.66Å; V163-E249 HydrophobicContact CG2-CG 3.71Å; V163-L252 HydrophobicContact CG1-CB 4.14Å; V163-A253 HydrophobicContact CG1-CB 4.16Å
164	E	91.4	Very high	92.8	Very high	74 Å²	74	49.9 Å²	49.9	35%	0.346	23%	0.231	S	C	.	.	H	α-helix	trans	-61.3	-42.9	174.9	-66.2	-54.9	135.2	0	0	111.5	M160 Y161 A166 K167 E168	M160-E164 PolarHBondContact O-N 2.63Å; Y161-E164 PolarHBondContact O-N 3.1Å; E164-A166 VanDerWaalsContact C-N 3.26Å; E164-A166 PolarHBondContact O-N 3.31Å; E164-K167 VanDerWaalsContact CD-NZ 3.31Å; E164-K167 WeakPolarHBondContact O-CB 3.36Å; E164-K167 PolarHBondContact O-N 3.15Å; E164-K167 WeakPolarHBondContact OE1-CE 3.49Å; E164-K167 IonicContact OE1-NZ 3.21Å; E164-K167 PolarHBondContact OE1-NZ 3.46Å; E164-K167 WeakPolarHBondContact OE2-CD 3.19Å; E164-K167 IonicContact OE2-NZ 2.9Å; E164-K167 PolarHBondContact OE2-NZ 2.93Å; E164-E168 PolarHBondContact O-N 3.33Å
165	K	93.6	Very high	93.1	Very high	76 Å²	76	47.7 Å²	47.7	33%	0.33	21%	0.213	S	C	.	.	H	α-helix	trans	-60.7	-35.6	173.4	-74.1	-72.2	162	-150.9	0	112.9	Y161 L162 V163 K167 E168 A169	Y161-K165 HydrophobicContact CE1-CG 3.99Å; Y161-K165 HydrophobicContact CE2-CG 4.02Å; Y161-K165 PolarHBondContact O-N 3.22Å; Y161-K165 WeakPolarHBondContact OH-CE 3.34Å; L162-K165 PolarHBondContact O-N 2.76Å; V163-K165 VanDerWaalsContact C-N 3.34Å; V163-K165 PolarHBondContact O-N 3.04Å; K165-K167 VanDerWaalsContact C-N 3.31Å; K165-K167 PolarHBondContact O-N 3.44Å; K165-E168 IonicContact NZ-OE2 2.74Å; K165-E168 PolarHBondContact NZ-OE2 2.8Å; K165-E168 PolarHBondContact O-N 2.9Å; K165-A169 PolarHBondContact O-N 2.79Å; K165-A169 VanDerWaalsContact O-N 3.1Å
166	A	94.9	Very high	93.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.4	-31.9	175.2	0	0	0	0	0	112.8	L162 V163 E164 E168 A169 K200 I223 I245 A253	L162-A166 WeakPolarHBondContact O-CB 3.44Å; L162-A166 PolarHBondContact O-N 3.49Å; V163-A166 WeakPolarHBondContact O-CB 3.19Å; V163-A166 PolarHBondContact O-N 3.11Å; V163-A166 VanDerWaalsContact O-N 3.13Å; E164-A166 VanDerWaalsContact C-N 3.26Å; E164-A166 PolarHBondContact O-N 3.31Å; A166-E168 VanDerWaalsContact C-N 3.35Å; A166-A169 PolarHBondContact O-N 3.47Å; A166-K200 PolarHBondContact O-NZ 2.76Å; A166-I223 HydrophobicContact CB-CD1 3.67Å; A166-I245 HydrophobicContact CB-CD1 3.6Å; A166-A253 HydrophobicContact CB-CB 3.48Å; A166-A253 VanDerWaalsContact CB-CB 3.48Å
167	K	93.8	Very high	92.9	Very high	92 Å²	92	45.6 Å²	45.6	40%	0.4	21%	0.205	S	C	.	.	H	α-helix	trans	-64	-40.2	173.4	-65.8	176.5	-176.4	170.5	0	111.5	V163 E164 K165 K200 A253	V163-K167 PolarHBondContact O-N 2.93Å; V163-K167 VanDerWaalsContact O-N 3.09Å; E164-K167 VanDerWaalsContact CD-NZ 3.31Å; E164-K167 WeakPolarHBondContact O-CB 3.36Å; E164-K167 PolarHBondContact O-N 3.15Å; E164-K167 WeakPolarHBondContact OE1-CE 3.49Å; E164-K167 IonicContact OE1-NZ 3.21Å; E164-K167 PolarHBondContact OE1-NZ 3.46Å; E164-K167 WeakPolarHBondContact OE2-CD 3.19Å; E164-K167 IonicContact OE2-NZ 2.9Å; E164-K167 PolarHBondContact OE2-NZ 2.93Å; K165-K167 VanDerWaalsContact C-N 3.31Å; K165-K167 PolarHBondContact O-N 3.44Å; K167-K200 PolarHBondContact O-NZ 3.2Å; K167-A253 HydrophobicContact CG-CB 3.97Å; K167-A253 WeakPolarHBondContact CG-O 3.46Å
168	E	94.1	Very high	92.4	Very high	126 Å²	126	39.1 Å²	39.1	59%	0.589	18%	0.183	S	C	*	.	H	α-helix	trans	-76.3	-22.9	179.3	-63.8	175.7	167.9	0	0	113.9	E164 K165 A166	E164-E168 PolarHBondContact O-N 3.33Å; K165-E168 IonicContact NZ-OE2 2.74Å; K165-E168 PolarHBondContact NZ-OE2 2.8Å; K165-E168 PolarHBondContact O-N 2.9Å; A166-E168 VanDerWaalsContact C-N 3.35Å
169	A	96.6	Very high	91.5	Very high	5 Å²	5	37.2 Å²	37.2	4%	0.041	18%	0.18	C	C	.	.			trans	-62.1	135.7	-174.3	0	0	0	0	0	114.1	K165 A166 K200 D222 I223	K165-A169 PolarHBondContact O-N 2.79Å; K165-A169 VanDerWaalsContact O-N 3.1Å; A166-A169 PolarHBondContact O-N 3.47Å; A169-K200 WeakPolarHBondContact O-CD 3.43Å; A169-K200 WeakPolarHBondContact O-CG 3.39Å; A169-K200 PolarHBondContact O-NZ 2.81Å; A169-D222 HydrophobicContact CB-CB 3.74Å; A169-I223 HydrophobicContact CB-CB 4.26Å; A169-I223 HydrophobicContact CB-CG2 3.5Å; A169-I223 VanDerWaalsContact CB-CG2 3.5Å
170	N	96.9	Very high	90.8	Very high	118 Å²	118	36.6 Å²	36.6	63%	0.631	18%	0.178	S	C	*	.	S	Bend	trans	-95.7	-34.2	174.8	-66.6	-58.3	0	0	0	112.1	K200 K201 D222	N170-K200 CarbonylContact O-C 3.55Å; N170-K200 WeakPolarHBondContact O-CA 3.33Å; N170-K201 PolarHBondContact O-N 3.3Å; N170-D222 WeakPolarHBondContact CA-OD2 3.39Å; N170-D222 PolarHBondContact N-OD2 3.04Å
171	V	97.8	Very high	90.4	Very high	20 Å²	20	35.1 Å²	35.1	12%	0.121	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.8	-178.2	-174.6	0	0	0	0	110.4	K201 Y203 E220 V221 D222 I223	V171-K201 WeakPolarHBondContact CA-O 3.47Å; V171-K201 HydrophobicContact CG2-CB 4.27Å; V171-K201 HydrophobicContact CG2-CD 4.47Å; V171-Y203 HydrophobicContact CG1-CD2 3.74Å; V171-Y203 HydrophobicContact CG1-CE2 3.58Å; V171-E220 VanDerWaalsContact CB-O 3.27Å; V171-E220 WeakPolarHBondContact CB-O 3.48Å; V171-E220 WeakPolarHBondContact CG1-O 3.39Å; V171-V221 HydrophobicContact CG1-CG2 4.26Å; V171-D222 PolarHBondContact N-OD2 3.37Å; V171-D222 WeakPolarHBondContact O-CB 3.4Å; V171-D222 PolarHBondContact O-N 3.1Å; V171-I223 PolarHBondContact O-N 2.96Å
172	V	97.9	Very high	89.6	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125	-177.7	-177.1	0	0	0	0	110	K200 K201 C202 Y203 I223 V225 F250	V172-K200 HydrophobicContact CG2-CB 4.04Å; V172-K200 HydrophobicContact CG2-CD 3.94Å; V172-K201 PolarHBondContact N-O 2.81Å; V172-C202 VanDerWaalsContact O-CA 3.31Å; V172-C202 WeakPolarHBondContact O-CA 3.3Å; V172-Y203 PolarHBondContact O-N 2.74Å; V172-I223 WeakPolarHBondContact CA-O 3.28Å; V172-I223 HydrophobicContact CG1-CG2 4.46Å; V172-I223 HydrophobicContact CG2-CG2 4.12Å; V172-V225 HydrophobicContact CG1-CG2 3.64Å; V172-F250 HydrophobicContact CB-CE2 4.35Å; V172-F250 HydrophobicContact CB-CZ 4.49Å; V172-F250 HydrophobicContact CG1-CD2 4.4Å; V172-F250 HydrophobicContact CG1-CE2 3.82Å; V172-F250 HydrophobicContact CG1-CZ 4.07Å; V172-F250 HydrophobicContact CG2-CE2 3.64Å; V172-F250 HydrophobicContact CG2-CZ 3.96Å
173	G	97.6	Very high	89.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.2	172.5	0	0	0	0	0	111.7	Y203 I223 F224 V225	G173-Y203 CarbonylContact C-O 3.58Å; G173-I223 PolarHBondContact N-O 3.18Å; G173-F224 CarbonylContact O-C 3.48Å; G173-F224 WeakPolarHBondContact O-CA 2.97Å; G173-F224 WeakPolarHBondContact O-CD1 3.33Å; G173-V225 PolarHBondContact O-N 3.18Å
174	I	96.6	Very high	88.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	116	175.1	-49	177.9	0	0	0	109	L188 V191 R192 C202 Y203 T204 F205 V225 I227	I174-L188 HydrophobicContact CB-CD1 4.24Å; I174-L188 HydrophobicContact CD1-CD1 3.74Å; I174-L188 HydrophobicContact CG2-CD1 3.79Å; I174-V191 HydrophobicContact CD1-CB 4Å; I174-V191 HydrophobicContact CD1-CG1 3.47Å; I174-V191 VanDerWaalsContact CD1-CG1 3.47Å; I174-V191 HydrophobicContact CG1-CG1 3.82Å; I174-R192 HydrophobicContact CD1-CG 3.56Å; I174-C202 WeakPolarHBondContact CD1-SG 3.39Å; I174-C202 VanDerWaalsContact CG1-SG 3.52Å; I174-Y203 PolarHBondContact N-O 3.43Å; I174-T204 CarbonylContact O-C 3.58Å; I174-T204 WeakPolarHBondContact O-CA 3.25Å; I174-F205 PolarHBondContact O-N 2.85Å; I174-V225 CarbonylContact C-O 3.53Å; I174-V225 WeakPolarHBondContact CA-O 3.42Å; I174-I227 HydrophobicContact CG2-CD1 3.52Å; I174-I227 HydrophobicContact CG2-CG1 3.97Å
175	L	94.4	Very high	88.5	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124	176.6	-57.3	178.1	0	0	0	109.8	F205 V207 V210 L215 F224 V225 Y226 I227	L175-F205 CarbonylContact C-O 3.6Å; L175-F205 WeakPolarHBondContact CA-O 3.5Å; L175-F205 HydrophobicContact CD2-CB 3.93Å; L175-F205 HydrophobicContact CD2-CD2 3.98Å; L175-F205 HydrophobicContact CD2-CG 4.29Å; L175-V207 HydrophobicContact CB-CG2 3.99Å; L175-V207 HydrophobicContact CD2-CG2 4.26Å; L175-V210 HydrophobicContact CD1-CG1 4.16Å; L175-V210 HydrophobicContact CD1-CG2 4.1Å; L175-L215 HydrophobicContact CD1-CD1 3.98Å; L175-L215 HydrophobicContact CD1-CD2 3.77Å; L175-L215 HydrophobicContact CD2-CD2 3.66Å; L175-L215 HydrophobicContact CG-CD2 4.36Å; L175-F224 HydrophobicContact CD1-CB 3.81Å; L175-F224 HydrophobicContact CD1-CD1 3.93Å; L175-F224 HydrophobicContact CD1-CG 4Å; L175-F224 HydrophobicContact CD2-CD1 3.59Å; L175-F224 HydrophobicContact CD2-CE1 3.94Å; L175-F224 HydrophobicContact CD2-CG 4.48Å; L175-F224 HydrophobicContact CG-CB 4.11Å; L175-F224 HydrophobicContact CG-CD1 3.68Å; L175-F224 HydrophobicContact CG-CG 4.2Å; L175-V225 PolarHBondContact N-O 2.91Å; L175-Y226 HydrophobicContact CB-CD2 3.8Å; L175-Y226 HydrophobicContact CD1-CD2 4.43Å; L175-I227 PolarHBondContact O-N 3.25Å
176	I	91.2	Very high	88.3	Confident	10 Å²	10	44.4 Å²	44.4	5%	0.051	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	107.5	172.9	-56.9	175.1	0	0	0	108	L179 L188 T204 F205 V207	I176-L179 HydrophobicContact CG2-CD2 4.26Å; I176-L188 HydrophobicContact CD1-CD1 4.36Å; I176-L188 HydrophobicContact CD1-CD2 3.96Å; I176-T204 HydrophobicContact CD1-CG2 3.67Å; I176-T204 HydrophobicContact CG1-CG2 4.17Å; I176-F205 PolarHBondContact N-O 3.29Å; I176-V207 CarbonylContact O-C 3.56Å; I176-V207 PolarHBondContact O-N 3.46Å; I176-V207 VanDerWaalsContact O-O 3.05Å
177	G	82.5	Confident	88	Confident	7 Å²	7	45.7 Å²	45.7	7%	0.072	22%	0.224	C	C	.	.			trans	-79.4	-42.4	-173	0	0	0	0	0	115.1	V207 Y226 I227	G177-V207 CarbonylContact C-O 3.59Å; G177-V207 VanDerWaalsContact CA-O 3.26Å; G177-V207 WeakPolarHBondContact CA-O 3.45Å; G177-V207 VanDerWaalsContact O-O 3.07Å; G177-Y226 VanDerWaalsContact CA-CE2 3.46Å; G177-I227 PolarHBondContact N-O 2.83Å
178	S	76.1	Confident	87.9	Confident	19 Å²	19	42 Å²	42	13%	0.133	21%	0.209	C	C	.	.			trans	-123.1	126.8	176.4	170.9	0	0	0	0	109.4	T180 M181 R184	S178-T180 PolarHBondContact O-N 3.3Å; S178-T180 PolarHBondContact OG-N 3.4Å; S178-T180 VanDerWaalsContact OG-N 3.11Å; S178-T180 PolarHBondContact OG-OG1 3.06Å; S178-M181 PolarHBondContact OG-N 3.1Å; S178-R184 VanDerWaalsContact O-CD 3.28Å; S178-R184 WeakPolarHBondContact O-CD 3.29Å
179	L	72.5	Confident	87.9	Confident	59 Å²	59	41.7 Å²	41.7	31%	0.309	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-12.8	174.1	-62.8	178.3	0	0	0	112.4	T28 I176 R184 A206	T28-L179 HydrophobicContact CG2-CB 3.88Å; T28-L179 HydrophobicContact CG2-CD1 4.42Å; I176-L179 HydrophobicContact CG2-CD2 4.26Å; L179-R184 PolarHBondContact O-NE 3.24Å; L179-R184 PolarHBondContact O-NH2 2.89Å; L179-A206 HydrophobicContact CD2-CB 4.34Å
180	T	75.5	Confident	87.7	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.012	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-2.6	-175.1	63.1	0	0	0	0	112.6	V25 E27 T28 T49 S50 S178 K182	V25-T180 PolarHBondContact O-OG1 3.01Å; V25-T180 VanDerWaalsContact O-OG1 3.08Å; E27-T180 HydrophobicContact CB-CG2 3.59Å; E27-T180 HydrophobicContact CG-CG2 4.07Å; T28-T180 HydrophobicContact CG2-CG2 3.47Å; T28-T180 VanDerWaalsContact CG2-CG2 3.47Å; T49-T180 CarbonylContact C-O 3.43Å; T49-T180 WeakPolarHBondContact CA-O 3.27Å; T49-T180 WeakPolarHBondContact CB-O 3.36Å; S50-T180 PolarHBondContact N-O 2.72Å; S50-T180 WeakPolarHBondContact OG-CA 3.39Å; S50-T180 PolarHBondContact OG-O 2.89Å; S178-T180 PolarHBondContact O-N 3.3Å; S178-T180 PolarHBondContact OG-N 3.4Å; S178-T180 VanDerWaalsContact OG-N 3.11Å; S178-T180 PolarHBondContact OG-OG1 3.06Å; T180-K182 PolarHBondContact O-N 3.18Å
181	M	78.1	Confident	87.5	Confident	10 Å²	10	40.1 Å²	40.1	5%	0.049	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-70.1	130.5	177.4	-174.3	-156.7	-53	0	0	110.9	T47 S178 R184 G228 F269	T47-M181 HydrophobicContact CG2-CG 3.91Å; S178-M181 PolarHBondContact OG-N 3.1Å; M181-R184 HydrophobicContact CB-CB 4.37Å; M181-R184 WeakPolarHBondContact O-CG 3.45Å; M181-R184 HydrophobicContact SD-CB 4.4Å; M181-G228 WeakPolarHBondContact CE-O 3.46Å; M181-F269 HydrophobicContact SD-CE2 4.26Å; M181-F269 HydrophobicContact SD-CZ 3.65Å
182	K	76.2	Confident	87.4	Confident	91 Å²	91	45 Å²	45	40%	0.396	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	145.4	172.6	-157.2	166.7	-171.3	160.4	0	110.7	P48 T49 E51 T180 R184	P48-K182 HydrophobicContact CB-CB 3.85Å; P48-K182 HydrophobicContact CB-CD 3.78Å; P48-K182 HydrophobicContact CB-CG 4.47Å; P48-K182 WeakPolarHBondContact O-CB 3.33Å; P48-K182 PolarHBondContact O-N 3.46Å; T49-K182 WeakPolarHBondContact O-CB 3.14Å; E51-K182 IonicContact OE1-NZ 2.8Å; E51-K182 PolarHBondContact OE1-NZ 3.23Å; T180-K182 PolarHBondContact O-N 3.18Å; K182-R184 PolarHBondContact O-N 3.37Å
183	D	80.8	Confident	87.3	Confident	82 Å²	82	50.9 Å²	50.9	44%	0.439	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	9.7	176.5	-62.6	-46.5	0	0	0	117	L185 K186 L187	D183-L185 PolarHBondContact O-N 3.43Å; D183-L185 VanDerWaalsContact O-N 3.1Å; D183-K186 HydrophobicContact CB-CB 4.45Å; D183-K186 HydrophobicContact CB-CD 4.21Å; D183-K186 WeakPolarHBondContact O-CB 3.5Å; D183-K186 PolarHBondContact O-N 3.27Å; D183-K186 VanDerWaalsContact OD1-CD 3.3Å; D183-K186 WeakPolarHBondContact OD1-CD 3.49Å; D183-K186 WeakPolarHBondContact OD1-CE 3.26Å; D183-K186 IonicContact OD1-NZ 2.74Å; D183-K186 PolarHBondContact OD1-NZ 2.98Å; D183-L187 PolarHBondContact O-N 3.36Å
184	R	84.4	Confident	87	Confident	57 Å²	57	53.8 Å²	53.8	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-54.9	-33.6	176.8	69.3	179.7	175.7	74.2	0.1	113.5	S178 L179 M181 K182 L188 I227	S178-R184 VanDerWaalsContact O-CD 3.28Å; S178-R184 WeakPolarHBondContact O-CD 3.29Å; L179-R184 PolarHBondContact O-NE 3.24Å; L179-R184 PolarHBondContact O-NH2 2.89Å; M181-R184 HydrophobicContact CB-CB 4.37Å; M181-R184 WeakPolarHBondContact O-CG 3.45Å; M181-R184 HydrophobicContact SD-CB 4.4Å; K182-R184 PolarHBondContact O-N 3.37Å; R184-L188 VanDerWaalsContact O-CB 3.31Å; R184-L188 WeakPolarHBondContact O-CB 3.31Å; R184-L188 PolarHBondContact O-N 3.36Å; R184-I227 HydrophobicContact CB-CG2 4.24Å
185	L	88.1	Confident	87	Confident	90 Å²	90	53.8 Å²	53.8	47%	0.471	25%	0.247	S	C	.	.	H	α-helix	trans	-71.4	-41.1	178	-68.6	179.5	0	0	0	111.1	D183 L187 L188 H189	D183-L185 PolarHBondContact O-N 3.43Å; D183-L185 VanDerWaalsContact O-N 3.1Å; L185-L187 VanDerWaalsContact C-N 3.3Å; L185-L187 PolarHBondContact O-N 3.22Å; L185-L188 HydrophobicContact CD2-CD2 4.27Å; L185-L188 WeakPolarHBondContact O-CB 3.41Å; L185-L188 PolarHBondContact O-N 3.39Å; L185-H189 PolarHBondContact O-CD2 3.06Å; L185-H189 PolarHBondContact O-N 3.41Å
186	K	88.8	Confident	87	Confident	144 Å²	144	61.9 Å²	61.9	63%	0.626	28%	0.283	S	S	*	.	H	α-helix	trans	-60	-44	173.6	-64.3	-178.3	-174.8	155.3	0	110.6	D183 H189 R190	D183-K186 HydrophobicContact CB-CB 4.45Å; D183-K186 HydrophobicContact CB-CD 4.21Å; D183-K186 WeakPolarHBondContact O-CB 3.5Å; D183-K186 PolarHBondContact O-N 3.27Å; D183-K186 VanDerWaalsContact OD1-CD 3.3Å; D183-K186 WeakPolarHBondContact OD1-CD 3.49Å; D183-K186 WeakPolarHBondContact OD1-CE 3.26Å; D183-K186 IonicContact OD1-NZ 2.74Å; D183-K186 PolarHBondContact OD1-NZ 2.98Å; K186-H189 PolarHBondContact O-N 3.14Å; K186-R190 PolarHBondContact O-N 3.07Å
187	L	87.3	Confident	87.1	Confident	26 Å²	26	68 Å²	68	14%	0.136	32%	0.315	C	S	.	.	H	α-helix	trans	-65.6	-41.4	176.8	-170.7	59.5	0	0	0	112.1	D183 L185 H189 R190 V191 I227 P247 F269	D183-L187 PolarHBondContact O-N 3.36Å; L185-L187 VanDerWaalsContact C-N 3.3Å; L185-L187 PolarHBondContact O-N 3.22Å; L187-H189 VanDerWaalsContact C-N 3.35Å; L187-H189 PolarHBondContact O-N 3.42Å; L187-R190 PolarHBondContact O-N 3.46Å; L187-V191 WeakPolarHBondContact O-CG2 3.16Å; L187-V191 PolarHBondContact O-N 2.95Å; L187-I227 HydrophobicContact CB-CD1 4.46Å; L187-I227 HydrophobicContact CD2-CB 4.42Å; L187-I227 HydrophobicContact CD2-CD1 4.47Å; L187-I227 HydrophobicContact CD2-CG1 4.11Å; L187-I227 HydrophobicContact CD2-CG2 3.77Å; L187-I227 HydrophobicContact CG-CD1 4.14Å; L187-I227 HydrophobicContact CG-CG1 4.27Å; L187-I227 HydrophobicContact CG-CG2 4.39Å; L187-P247 HydrophobicContact CD1-CB 3.91Å; L187-P247 HydrophobicContact CD1-CG 4.37Å; L187-P247 HydrophobicContact CD2-CB 4.21Å; L187-P247 HydrophobicContact CD2-CG 3.74Å; L187-P247 HydrophobicContact CG-CB 4.25Å; L187-P247 HydrophobicContact CG-CG 4.2Å; L187-F269 HydrophobicContact CD2-CD2 4.35Å; L187-F269 HydrophobicContact CD2-CE2 3.78Å
188	L	93	Very high	87.7	Confident	16 Å²	16	69.4 Å²	69.4	8%	0.084	33%	0.326	C	S	.	.	H	α-helix	trans	-57.7	-47.1	173.4	173.9	66.7	0	0	0	111.4	I174 I176 R184 L185 V191 R192 T204 I227	I174-L188 HydrophobicContact CB-CD1 4.24Å; I174-L188 HydrophobicContact CD1-CD1 3.74Å; I174-L188 HydrophobicContact CG2-CD1 3.79Å; I176-L188 HydrophobicContact CD1-CD1 4.36Å; I176-L188 HydrophobicContact CD1-CD2 3.96Å; R184-L188 VanDerWaalsContact O-CB 3.31Å; R184-L188 WeakPolarHBondContact O-CB 3.31Å; R184-L188 PolarHBondContact O-N 3.36Å; L185-L188 HydrophobicContact CD2-CD2 4.27Å; L185-L188 WeakPolarHBondContact O-CB 3.41Å; L185-L188 PolarHBondContact O-N 3.39Å; L188-V191 PolarHBondContact O-N 3.34Å; L188-R192 HydrophobicContact CD1-CG 4.25Å; L188-R192 WeakPolarHBondContact O-CB 3.45Å; L188-R192 VanDerWaalsContact O-CG 3.31Å; L188-R192 WeakPolarHBondContact O-CG 3.24Å; L188-R192 PolarHBondContact O-N 3.16Å; L188-T204 HydrophobicContact CD1-CG2 3.66Å; L188-T204 HydrophobicContact CD2-CG2 4.21Å; L188-I227 HydrophobicContact CB-CD1 4.06Å; L188-I227 HydrophobicContact CD1-CD1 4.39Å
189	H	93.8	Very high	88.6	Confident	118 Å²	118	78 Å²	78	55%	0.546	36%	0.36	S	S	.	.	H	α-helix	trans	-58.8	-49	177.2	-78.3	-65.7	0	0	0	111	L185 K186 L187 V191 R192 E193	L185-H189 PolarHBondContact O-CD2 3.06Å; L185-H189 PolarHBondContact O-N 3.41Å; K186-H189 PolarHBondContact O-N 3.14Å; L187-H189 VanDerWaalsContact C-N 3.35Å; L187-H189 PolarHBondContact O-N 3.42Å; H189-V191 PolarHBondContact O-N 3.18Å; H189-R192 PolarHBondContact O-N 3.06Å; H189-R192 VanDerWaalsContact O-N 3.16Å; H189-E193 WeakPolarHBondContact O-CG 3.48Å; H189-E193 PolarHBondContact O-N 2.89Å
190	R	92.1	Very high	89.8	Confident	90 Å²	90	76.4 Å²	76.4	34%	0.34	35%	0.351	S	S	.	.	H	α-helix	trans	-56	-48.2	176.7	177.8	176.5	171.2	144.8	-4.4	112.6	K186 L187 R192 E193 K194 D251	K186-R190 PolarHBondContact O-N 3.07Å; L187-R190 PolarHBondContact O-N 3.46Å; R190-R192 VanDerWaalsContact C-N 3.33Å; R190-R192 PolarHBondContact O-N 2.83Å; R190-E193 PolarHBondContact O-N 3.43Å; R190-K194 VanDerWaalsContact O-CG 3.29Å; R190-K194 WeakPolarHBondContact O-CG 3.22Å; R190-K194 PolarHBondContact O-N 2.98Å; R190-D251 IonicContact CZ-OD2 3.89Å; R190-D251 IonicContact NE-OD1 3.29Å; R190-D251 IonicContact NE-OD2 2.81Å; R190-D251 PolarHBondContact NE-OD2 2.81Å; R190-D251 IonicContact NH2-OD2 2.71Å; R190-D251 PolarHBondContact NH2-OD2 3.38Å
191	V	93.3	Very high	90.8	Very high	1 Å²	1	82.9 Å²	82.9	1%	0.006	38%	0.379	C	S	.	.	H	α-helix	trans	-62.7	-41.5	178.8	175.6	0	0	0	0	110.8	I174 L187 L188 H189 K194 A195 V225 I227 P247 F250	I174-V191 HydrophobicContact CD1-CB 4Å; I174-V191 HydrophobicContact CD1-CG1 3.47Å; I174-V191 VanDerWaalsContact CD1-CG1 3.47Å; I174-V191 HydrophobicContact CG1-CG1 3.82Å; L187-V191 WeakPolarHBondContact O-CG2 3.16Å; L187-V191 PolarHBondContact O-N 2.95Å; L188-V191 PolarHBondContact O-N 3.34Å; H189-V191 PolarHBondContact O-N 3.18Å; V191-K194 PolarHBondContact O-N 2.97Å; V191-A195 WeakPolarHBondContact O-CB 3.49Å; V191-A195 PolarHBondContact O-N 3.5Å; V191-V225 HydrophobicContact CG1-CB 4.36Å; V191-V225 HydrophobicContact CG1-CG1 4.06Å; V191-V225 HydrophobicContact CG1-CG2 4.43Å; V191-V225 HydrophobicContact CG2-CG1 4.31Å; V191-I227 HydrophobicContact CG2-CD1 4.32Å; V191-P247 HydrophobicContact CG2-CB 4Å; V191-F250 HydrophobicContact CG1-CD1 3.73Å; V191-F250 HydrophobicContact CG1-CE1 3.83Å; V191-F250 WeakPolarHBondContact O-CE1 3.37Å
192	R	96.1	Very high	91.7	Very high	122 Å²	122	84 Å²	84	46%	0.46	39%	0.387	S	S	.	.	H	α-helix	trans	-65.1	-40.3	176.7	-71.6	179.5	74.3	137.2	-0.8	112.5	I174 L188 H189 R190 A195 K196 T204	I174-R192 HydrophobicContact CD1-CG 3.56Å; L188-R192 HydrophobicContact CD1-CG 4.25Å; L188-R192 WeakPolarHBondContact O-CB 3.45Å; L188-R192 VanDerWaalsContact O-CG 3.31Å; L188-R192 WeakPolarHBondContact O-CG 3.24Å; L188-R192 PolarHBondContact O-N 3.16Å; H189-R192 PolarHBondContact O-N 3.06Å; H189-R192 VanDerWaalsContact O-N 3.16Å; R190-R192 VanDerWaalsContact C-N 3.33Å; R190-R192 PolarHBondContact O-N 2.83Å; R192-A195 PolarHBondContact O-N 3.4Å; R192-K196 WeakPolarHBondContact O-CB 3.45Å; R192-K196 PolarHBondContact O-N 3.35Å; R192-T204 PolarHBondContact NH1-OG1 3.22Å
193	E	94.7	Very high	92.7	Very high	124 Å²	124	84.8 Å²	84.8	58%	0.579	39%	0.389	S	S	*	.	H	α-helix	trans	-62.4	-45.2	175.7	-73.8	-177.9	123	0	0	111.4	H189 R190 K196 L197	H189-E193 WeakPolarHBondContact O-CG 3.48Å; H189-E193 PolarHBondContact O-N 2.89Å; R190-E193 PolarHBondContact O-N 3.43Å; E193-K196 WeakPolarHBondContact O-CB 3.43Å; E193-K196 PolarHBondContact O-N 3.42Å; E193-L197 WeakPolarHBondContact O-CG 3.49Å; E193-L197 PolarHBondContact O-N 3.33Å
194	K	92.9	Very high	93.4	Very high	61 Å²	61	83.2 Å²	83.2	27%	0.265	38%	0.382	S	S	.	.	H	α-helix	trans	-62.5	-43.7	176.2	-68.1	-72.2	-176.2	-174.7	0	112.2	R190 V191 K196 L197 A198 F250 D251 C254	R190-K194 VanDerWaalsContact O-CG 3.29Å; R190-K194 WeakPolarHBondContact O-CG 3.22Å; R190-K194 PolarHBondContact O-N 2.98Å; V191-K194 PolarHBondContact O-N 2.97Å; K194-K196 VanDerWaalsContact C-N 3.32Å; K194-K196 PolarHBondContact O-N 3.17Å; K194-L197 PolarHBondContact O-N 3.27Å; K194-A198 WeakPolarHBondContact O-CB 3.4Å; K194-A198 PolarHBondContact O-N 3.18Å; K194-F250 HydrophobicContact CB-CD1 4.44Å; K194-F250 HydrophobicContact CB-CE1 4.04Å; K194-D251 WeakPolarHBondContact CG-OD1 3.46Å; K194-C254 HydrophobicContact CB-CB 4.19Å
195	A	95.5	Very high	93.9	Very high	0 Å²	0	82 Å²	82	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-59.9	-42.8	174.6	0	0	0	0	0	111.8	V191 R192 A198 K199 K200 C202 F250	V191-A195 WeakPolarHBondContact O-CB 3.49Å; V191-A195 PolarHBondContact O-N 3.5Å; R192-A195 PolarHBondContact O-N 3.4Å; A195-A198 CarbonylContact O-C 3.51Å; A195-A198 PolarHBondContact O-N 3.38Å; A195-K199 PolarHBondContact O-N 2.93Å; A195-K199 VanDerWaalsContact O-N 3.12Å; A195-K200 HydrophobicContact CB-CB 4.5Å; A195-K200 PolarHBondContact O-N 3.17Å; A195-C202 HydrophobicContact CB-CB 4Å; A195-F250 HydrophobicContact CB-CE1 4.08Å; A195-F250 HydrophobicContact CB-CZ 3.84Å
196	K	94.7	Very high	94	Very high	171 Å²	171	81.2 Å²	81.2	74%	0.743	39%	0.385	S	S	*	.	H	α-helix	trans	-62.1	-47.2	177	-175.2	-177.3	179	-175.3	0	111.7	R192 E193 K194 A198 K199	R192-K196 WeakPolarHBondContact O-CB 3.45Å; R192-K196 PolarHBondContact O-N 3.35Å; E193-K196 WeakPolarHBondContact O-CB 3.43Å; E193-K196 PolarHBondContact O-N 3.42Å; K194-K196 VanDerWaalsContact C-N 3.32Å; K194-K196 PolarHBondContact O-N 3.17Å; K196-A198 VanDerWaalsContact C-N 3.31Å; K196-A198 PolarHBondContact O-N 3.28Å; K196-K199 PolarHBondContact O-N 2.89Å; K196-K199 VanDerWaalsContact O-N 3.07Å
197	L	93.6	Very high	93.9	Very high	139 Å²	139	75.2 Å²	75.2	73%	0.728	36%	0.36	S	S	*	.	H	α-helix	trans	-62.3	-38.8	177.5	-70.9	171.2	0	0	0	111.8	E193 K194 K199	E193-L197 WeakPolarHBondContact O-CG 3.49Å; E193-L197 PolarHBondContact O-N 3.33Å; K194-L197 PolarHBondContact O-N 3.27Å; L197-K199 PolarHBondContact O-N 3.35Å
198	A	94.1	Very high	93.3	Very high	36 Å²	36	79 Å²	79	30%	0.298	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	4.4	175.5	0	0	0	0	0	114	K194 A195 K196 K200 C254	K194-A198 WeakPolarHBondContact O-CB 3.4Å; K194-A198 PolarHBondContact O-N 3.18Å; A195-A198 CarbonylContact O-C 3.51Å; A195-A198 PolarHBondContact O-N 3.38Å; K196-A198 VanDerWaalsContact C-N 3.31Å; K196-A198 PolarHBondContact O-N 3.28Å; A198-K200 VanDerWaalsContact C-N 3.26Å; A198-K200 HydrophobicContact CB-CD 4.15Å; A198-K200 HydrophobicContact CB-CG 4.17Å; A198-K200 PolarHBondContact O-N 2.96Å; A198-C254 HydrophobicContact CB-CB 4.23Å
199	K	95.7	Very high	92.7	Very high	199 Å²	199	83.9 Å²	83.9	87%	0.865	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	31.8	-178.4	-56.7	178.9	-179.9	176.5	0	114.4	A195 K196 L197	A195-K199 PolarHBondContact O-N 2.93Å; A195-K199 VanDerWaalsContact O-N 3.12Å; K196-K199 PolarHBondContact O-N 2.89Å; K196-K199 VanDerWaalsContact O-N 3.07Å; L197-K199 PolarHBondContact O-N 3.35Å
200	K	97	Very high	92.4	Very high	25 Å²	25	79.1 Å²	79.1	11%	0.109	38%	0.377	C	S	.	.			trans	-95.9	138.6	177.8	-60.9	176.2	-172	-88.5	0	110.6	A166 K167 A169 N170 V172 A195 A198 F250	A166-K200 PolarHBondContact O-NZ 2.76Å; K167-K200 PolarHBondContact O-NZ 3.2Å; A169-K200 WeakPolarHBondContact O-CD 3.43Å; A169-K200 WeakPolarHBondContact O-CG 3.39Å; A169-K200 PolarHBondContact O-NZ 2.81Å; N170-K200 CarbonylContact O-C 3.55Å; N170-K200 WeakPolarHBondContact O-CA 3.33Å; V172-K200 HydrophobicContact CG2-CB 4.04Å; V172-K200 HydrophobicContact CG2-CD 3.94Å; A195-K200 HydrophobicContact CB-CB 4.5Å; A195-K200 PolarHBondContact O-N 3.17Å; A198-K200 VanDerWaalsContact C-N 3.26Å; A198-K200 HydrophobicContact CB-CD 4.15Å; A198-K200 HydrophobicContact CB-CG 4.17Å; A198-K200 PolarHBondContact O-N 2.96Å; K200-F250 HydrophobicContact CD-CE2 4.36Å; K200-F250 HydrophobicContact CD-CZ 4.46Å
201	K	97.5	Very high	92.3	Very high	139 Å²	139	76.4 Å²	76.4	60%	0.604	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	140.6	171	-68.4	-178.9	-178.3	176.1	0	108.7	N170 V171 V172	N170-K201 PolarHBondContact O-N 3.3Å; V171-K201 WeakPolarHBondContact CA-O 3.47Å; V171-K201 HydrophobicContact CG2-CB 4.27Å; V171-K201 HydrophobicContact CG2-CD 4.47Å; V172-K201 PolarHBondContact N-O 2.81Å
202	C	97.1	Very high	92.2	Very high	33 Å²	33	77.9 Å²	77.9	22%	0.223	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	126.2	-172.7	-175.4	0	0	0	0	111.9	V172 I174 A195	V172-C202 VanDerWaalsContact O-CA 3.31Å; V172-C202 WeakPolarHBondContact O-CA 3.3Å; I174-C202 WeakPolarHBondContact CD1-SG 3.39Å; I174-C202 VanDerWaalsContact CG1-SG 3.52Å; A195-C202 HydrophobicContact CB-CB 4Å
203	Y	97	Very high	92	Very high	108 Å²	108	76.3 Å²	76.3	42%	0.424	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	148	175.2	-58.7	-71.6	0	0	0	110.1	V171 V172 G173 I174	V171-Y203 HydrophobicContact CG1-CD2 3.74Å; V171-Y203 HydrophobicContact CG1-CE2 3.58Å; V172-Y203 PolarHBondContact O-N 2.74Å; G173-Y203 CarbonylContact C-O 3.58Å; I174-Y203 PolarHBondContact N-O 3.43Å
204	T	95.8	Very high	91.9	Very high	49 Å²	49	74.2 Å²	74.2	30%	0.301	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.6	-179.7	-53.8	0	0	0	0	109.9	I174 I176 L188 R192	I174-T204 CarbonylContact O-C 3.58Å; I174-T204 WeakPolarHBondContact O-CA 3.25Å; I176-T204 HydrophobicContact CD1-CG2 3.67Å; I176-T204 HydrophobicContact CG1-CG2 4.17Å; L188-T204 HydrophobicContact CD1-CG2 3.66Å; L188-T204 HydrophobicContact CD2-CG2 4.21Å; R192-T204 PolarHBondContact NH1-OG1 3.22Å
205	F	94.2	Very high	91.9	Very high	32 Å²	32	71.7 Å²	71.7	14%	0.14	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.2	-178.3	-50.7	-82.6	0	0	0	109.6	I174 L175 I176 V207 F218 V221 F224	I174-F205 PolarHBondContact O-N 2.85Å; L175-F205 CarbonylContact C-O 3.6Å; L175-F205 WeakPolarHBondContact CA-O 3.5Å; L175-F205 HydrophobicContact CD2-CB 3.93Å; L175-F205 HydrophobicContact CD2-CD2 3.98Å; L175-F205 HydrophobicContact CD2-CG 4.29Å; I176-F205 PolarHBondContact N-O 3.29Å; F205-V207 HydrophobicContact CB-CG1 4.4Å; F205-F218 HydrophobicContact CD1-CD1 4.5Å; F205-F218 HydrophobicContact CD1-CD2 4.45Å; F205-F218 HydrophobicContact CD1-CE1 4.03Å; F205-F218 AromaticContact CD1-CE2 3.96Å; F205-F218 HydrophobicContact CD1-CE2 3.96Å; F205-F218 AromaticContact CD1-CZ 3.72Å; F205-F218 HydrophobicContact CD1-CZ 3.72Å; F205-F218 AromaticContact CE1-CD1 3.55Å; F205-F218 HydrophobicContact CE1-CD1 3.55Å; F205-F218 HydrophobicContact CE1-CD2 4.11Å; F205-F218 AromaticContact CE1-CE1 3.35Å; F205-F218 HydrophobicContact CE1-CE1 3.35Å; F205-F218 AromaticContact CE1-CE2 3.92Å; F205-F218 HydrophobicContact CE1-CE2 3.92Å; F205-F218 AromaticContact CE1-CG 3.93Å; F205-F218 HydrophobicContact CE1-CG 3.93Å; F205-F218 AromaticContact CE1-CZ 3.54Å; F205-F218 HydrophobicContact CE1-CZ 3.54Å; F205-F218 AromaticContact CZ-CD1 3.86Å; F205-F218 HydrophobicContact CZ-CD1 3.86Å; F205-F218 HydrophobicContact CZ-CD2 4.36Å; F205-F218 HydrophobicContact CZ-CE1 4.15Å; F205-F218 AromaticContact CZ-CG 3.97Å; F205-F218 HydrophobicContact CZ-CG 3.97Å; F205-V221 HydrophobicContact CE2-CG2 4.29Å; F205-V221 HydrophobicContact CZ-CG2 4.33Å; F205-F224 HydrophobicContact CD2-CE1 4.26Å; F205-F224 HydrophobicContact CE2-CE1 4.03Å
206	A	90	Very high	91.7	Very high	73 Å²	73	73.8 Å²	73.8	60%	0.603	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	119.6	169.3	0	0	0	0	0	109.3	L179	L179-A206 HydrophobicContact CD2-CB 4.34Å
207	V	86.5	Confident	91.6	Very high	18 Å²	18	71.3 Å²	71.3	11%	0.109	38%	0.376	C	S	.	.			trans	-137.6	113.1	-176.5	-69.3	0	0	0	0	110.8	L175 I176 G177 F205 R209 V210	L175-V207 HydrophobicContact CB-CG2 3.99Å; L175-V207 HydrophobicContact CD2-CG2 4.26Å; I176-V207 CarbonylContact O-C 3.56Å; I176-V207 PolarHBondContact O-N 3.46Å; I176-V207 VanDerWaalsContact O-O 3.05Å; G177-V207 CarbonylContact C-O 3.59Å; G177-V207 VanDerWaalsContact CA-O 3.26Å; G177-V207 WeakPolarHBondContact CA-O 3.45Å; G177-V207 VanDerWaalsContact O-O 3.07Å; F205-V207 HydrophobicContact CB-CG1 4.4Å; V207-R209 PolarHBondContact O-N 3.26Å; V207-V210 HydrophobicContact CG2-CG2 3.94Å
208	N	75.1	Confident	91.7	Very high	104 Å²	104	67.7 Å²	67.7	56%	0.556	36%	0.355	S	S	*	.	S	Bend	trans	-60.2	-33.8	177.3	-67.8	4.1	0	0	0	113.1
209	R	80.9	Confident	91.6	Very high	119 Å²	119	70.1 Å²	70.1	45%	0.449	37%	0.368	S	S	.	.	S	Bend	trans	-144.9	130.9	177.5	-177.4	179	173.3	169.5	2.4	108.7	E21 V207 T211 K214	E21-R209 IonicContact OE1-CZ 2.99Å; E21-R209 IonicContact OE1-NH2 2.65Å; E21-R209 PolarHBondContact OE1-NH2 3.34Å; E21-R209 IonicContact OE2-CZ 3.56Å; E21-R209 VanDerWaalsContact OE2-CZ 3.29Å; E21-R209 IonicContact OE2-NH1 3.73Å; E21-R209 PolarHBondContact OE2-NH1 3Å; E21-R209 IonicContact OE2-NH2 2.8Å; E21-R209 PolarHBondContact OE2-NH2 3.44Å; V207-R209 PolarHBondContact O-N 3.26Å; R209-T211 HydrophobicContact CG-CG2 4.01Å; R209-K214 WeakPolarHBondContact O-CD 3.47Å; R209-K214 WeakPolarHBondContact O-CE 3.48Å; R209-K214 PolarHBondContact O-NZ 2.97Å
210	V	86.7	Confident	91.6	Very high	18 Å²	18	65.3 Å²	65.3	11%	0.109	35%	0.348	C	S	.	.			trans	-79.7	124.7	173.9	-175.8	0	0	0	0	108.4	L175 V207 L215 Y226 I235 F240 I244	L175-V210 HydrophobicContact CD1-CG1 4.16Å; L175-V210 HydrophobicContact CD1-CG2 4.1Å; V207-V210 HydrophobicContact CG2-CG2 3.94Å; V210-L215 HydrophobicContact CG1-CD1 3.74Å; V210-L215 HydrophobicContact CG1-CD2 4.43Å; V210-L215 HydrophobicContact CG1-CG 4.13Å; V210-Y226 HydrophobicContact CG2-CD2 3.6Å; V210-Y226 HydrophobicContact CG2-CE2 3.37Å; V210-I235 HydrophobicContact CB-CD1 4.3Å; V210-I235 HydrophobicContact CG1-CD1 4.42Å; V210-I235 HydrophobicContact CG2-CD1 4.4Å; V210-F240 HydrophobicContact CG1-CE1 3.66Å; V210-F240 HydrophobicContact CG1-CZ 3.92Å; V210-I244 HydrophobicContact CG1-CD1 3.94Å
211	T	89.3	Confident	91.6	Very high	34 Å²	34	64.1 Å²	64.1	21%	0.209	34%	0.343	C	S	.	.			trans	-139.3	151	177.4	62.4	0	0	0	0	109.2	R209 K214 L215	R209-T211 HydrophobicContact CG-CG2 4.01Å; T211-K214 PolarHBondContact O-N 3.02Å; T211-K214 VanDerWaalsContact O-N 3.1Å; T211-K214 WeakPolarHBondContact OG1-CD 3.31Å; T211-K214 WeakPolarHBondContact OG1-CG 3.43Å; T211-L215 PolarHBondContact O-N 3.19Å
212	P	91.8	Very high	91.6	Very high	31 Å²	31	60.2 Å²	60.2	20%	0.201	33%	0.329	C	S	.	.	H	α-helix	trans	-52.8	-44.7	-179.7	-25.9	33.2	0	0	0	114.2	K214 L215 A216 E239 F240	P212-K214 VanDerWaalsContact C-N 3.28Å; P212-K214 PolarHBondContact O-N 3.43Å; P212-L215 PolarHBondContact O-N 3.38Å; P212-A216 WeakPolarHBondContact O-CB 3.3Å; P212-A216 PolarHBondContact O-N 2.74Å; P212-E239 WeakPolarHBondContact CB-O 3.34Å; P212-E239 HydrophobicContact CG-CB 3.81Å; P212-F240 HydrophobicContact CB-CD1 4.42Å; P212-F240 HydrophobicContact CG-CD1 4.17Å; P212-F240 HydrophobicContact CG-CE1 4Å; P212-F240 HydrophobicContact CG-CZ 4.36Å
213	P	92.2	Very high	91.6	Very high	89 Å²	89	58.7 Å²	58.7	58%	0.578	32%	0.318	S	S	*	.	H	α-helix	trans	-62.2	-32	178.9	-24.6	35.4	0	0	0	114	N217	P213-N217 PolarHBondContact O-ND2 3.09Å
214	K	91.5	Very high	91.6	Very high	80 Å²	80	53.6 Å²	53.6	35%	0.348	30%	0.298	S	S	.	.	H	α-helix	trans	-69.2	-37.7	178.7	-74	177.5	-176.4	-176.2	0	112	R209 T211 P212 F218	R209-K214 WeakPolarHBondContact O-CD 3.47Å; R209-K214 WeakPolarHBondContact O-CE 3.48Å; R209-K214 PolarHBondContact O-NZ 2.97Å; T211-K214 PolarHBondContact O-N 3.02Å; T211-K214 VanDerWaalsContact O-N 3.1Å; T211-K214 WeakPolarHBondContact OG1-CD 3.31Å; T211-K214 WeakPolarHBondContact OG1-CG 3.43Å; P212-K214 VanDerWaalsContact C-N 3.28Å; P212-K214 PolarHBondContact O-N 3.43Å; K214-F218 WeakPolarHBondContact O-CE2 3.42Å
215	L	92.7	Very high	91.5	Very high	9 Å²	9	51.2 Å²	51.2	5%	0.047	28%	0.284	C	S	.	.	H	α-helix	trans	-83.6	-27.7	-178.6	-58.9	-165.7	0	0	0	112.7	L175 V210 T211 P212 N217 F218 F224 F240 I244	L175-L215 HydrophobicContact CD1-CD1 3.98Å; L175-L215 HydrophobicContact CD1-CD2 3.77Å; L175-L215 HydrophobicContact CD2-CD2 3.66Å; L175-L215 HydrophobicContact CG-CD2 4.36Å; V210-L215 HydrophobicContact CG1-CD1 3.74Å; V210-L215 HydrophobicContact CG1-CD2 4.43Å; V210-L215 HydrophobicContact CG1-CG 4.13Å; T211-L215 PolarHBondContact O-N 3.19Å; P212-L215 PolarHBondContact O-N 3.38Å; L215-N217 PolarHBondContact O-N 3.37Å; L215-N217 VanDerWaalsContact O-N 3.16Å; L215-F218 PolarHBondContact O-N 3.2Å; L215-F218 VanDerWaalsContact O-N 3.12Å; L215-F224 HydrophobicContact CB-CE2 4.03Å; L215-F224 HydrophobicContact CB-CZ 4.19Å; L215-F224 HydrophobicContact CD1-CD2 3.94Å; L215-F224 HydrophobicContact CD1-CE2 4.1Å; L215-F224 HydrophobicContact CD1-CG 4.3Å; L215-F224 HydrophobicContact CD2-CD1 4.36Å; L215-F224 HydrophobicContact CD2-CE1 4.07Å; L215-F224 HydrophobicContact CD2-CE2 4.39Å; L215-F224 HydrophobicContact CD2-CZ 4.08Å; L215-F224 HydrophobicContact CG-CE2 4.41Å; L215-F240 HydrophobicContact CD1-CD1 3.76Å; L215-F240 HydrophobicContact CD1-CE1 4.05Å; L215-F240 HydrophobicContact CG-CD1 4.42Å; L215-I244 HydrophobicContact CD1-CD1 3.7Å; L215-I244 HydrophobicContact CD1-CG1 4.06Å
216	A	92.2	Very high	91.5	Very high	44 Å²	44	50.7 Å²	50.7	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-59.7	-23.6	176.5	0	0	0	0	0	113.5	P212 F218 Y241	P212-A216 WeakPolarHBondContact O-CB 3.3Å; P212-A216 PolarHBondContact O-N 2.74Å; A216-F218 PolarHBondContact O-N 3.4Å; A216-Y241 HydrophobicContact CB-CD2 4.03Å; A216-Y241 HydrophobicContact CB-CE2 4.09Å
217	N	93	Very high	91.5	Very high	119 Å²	119	47.3 Å²	47.3	64%	0.636	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-5.7	177.1	-67.2	-34.4	0	0	0	114.6	P213 L215 P219	P213-N217 PolarHBondContact O-ND2 3.09Å; L215-N217 PolarHBondContact O-N 3.37Å; L215-N217 VanDerWaalsContact O-N 3.16Å; N217-P219 WeakPolarHBondContact O-CD 3.35Å
218	F	94.5	Very high	91.3	Very high	62 Å²	62	46.8 Å²	46.8	27%	0.272	25%	0.251	S	S	.	.			trans	-125.6	61.6	-178.1	-53.1	-73.1	0	0	0	111.2	F205 K214 L215 A216 E220 V221 F224	F205-F218 HydrophobicContact CD1-CD1 4.5Å; F205-F218 HydrophobicContact CD1-CD2 4.45Å; F205-F218 HydrophobicContact CD1-CE1 4.03Å; F205-F218 AromaticContact CD1-CE2 3.96Å; F205-F218 HydrophobicContact CD1-CE2 3.96Å; F205-F218 AromaticContact CD1-CZ 3.72Å; F205-F218 HydrophobicContact CD1-CZ 3.72Å; F205-F218 AromaticContact CE1-CD1 3.55Å; F205-F218 HydrophobicContact CE1-CD1 3.55Å; F205-F218 HydrophobicContact CE1-CD2 4.11Å; F205-F218 AromaticContact CE1-CE1 3.35Å; F205-F218 HydrophobicContact CE1-CE1 3.35Å; F205-F218 AromaticContact CE1-CE2 3.92Å; F205-F218 HydrophobicContact CE1-CE2 3.92Å; F205-F218 AromaticContact CE1-CG 3.93Å; F205-F218 HydrophobicContact CE1-CG 3.93Å; F205-F218 AromaticContact CE1-CZ 3.54Å; F205-F218 HydrophobicContact CE1-CZ 3.54Å; F205-F218 AromaticContact CZ-CD1 3.86Å; F205-F218 HydrophobicContact CZ-CD1 3.86Å; F205-F218 HydrophobicContact CZ-CD2 4.36Å; F205-F218 HydrophobicContact CZ-CE1 4.15Å; F205-F218 AromaticContact CZ-CG 3.97Å; F205-F218 HydrophobicContact CZ-CG 3.97Å; K214-F218 WeakPolarHBondContact O-CE2 3.42Å; L215-F218 PolarHBondContact O-N 3.2Å; L215-F218 VanDerWaalsContact O-N 3.12Å; A216-F218 PolarHBondContact O-N 3.4Å; F218-E220 VanDerWaalsContact C-OE2 3.22Å; F218-E220 WeakPolarHBondContact CA-OE2 3.37Å; F218-E220 PolarHBondContact O-N 3.32Å; F218-V221 HydrophobicContact CB-CG2 3.99Å; F218-V221 PolarHBondContact O-N 3.12Å; F218-V221 VanDerWaalsContact O-N 3.1Å; F218-F224 HydrophobicContact CB-CZ 4.21Å
219	P	93.6	Very high	91.5	Very high	88 Å²	88	41.9 Å²	41.9	57%	0.571	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.3	-176.8	27.1	-36.5	0	0	0	113.7	N217 V221 K242	N217-P219 WeakPolarHBondContact O-CD 3.35Å; P219-V221 PolarHBondContact O-N 2.93Å; P219-K242 WeakPolarHBondContact O-CE 3.28Å; P219-K242 PolarHBondContact O-NZ 2.8Å
220	E	94.7	Very high	91.3	Very high	97 Å²	97	37 Å²	37	45%	0.453	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-15.8	177.2	71.1	-83.6	-164.7	0	0	113.9	V171 F218	V171-E220 VanDerWaalsContact CB-O 3.27Å; V171-E220 WeakPolarHBondContact CB-O 3.48Å; V171-E220 WeakPolarHBondContact CG1-O 3.39Å; F218-E220 VanDerWaalsContact C-OE2 3.22Å; F218-E220 WeakPolarHBondContact CA-OE2 3.37Å; F218-E220 PolarHBondContact O-N 3.32Å
221	V	96.9	Very high	90.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.208	C	C	.	.			trans	-78.9	127.7	175.2	175.7	0	0	0	0	109.2	V171 F205 F218 P219 I223 F224 K242	V171-V221 HydrophobicContact CG1-CG2 4.26Å; F205-V221 HydrophobicContact CE2-CG2 4.29Å; F205-V221 HydrophobicContact CZ-CG2 4.33Å; F218-V221 HydrophobicContact CB-CG2 3.99Å; F218-V221 PolarHBondContact O-N 3.12Å; F218-V221 VanDerWaalsContact O-N 3.1Å; P219-V221 PolarHBondContact O-N 2.93Å; V221-I223 WeakPolarHBondContact CG1-O 3.47Å; V221-F224 HydrophobicContact CB-CE1 4.06Å; V221-F224 HydrophobicContact CB-CE2 4.11Å; V221-F224 HydrophobicContact CB-CZ 3.71Å; V221-F224 HydrophobicContact CG1-CD1 3.92Å; V221-F224 HydrophobicContact CG1-CD2 4.04Å; V221-F224 HydrophobicContact CG1-CE1 3.7Å; V221-F224 HydrophobicContact CG1-CE2 3.81Å; V221-F224 HydrophobicContact CG1-CG 4.09Å; V221-F224 HydrophobicContact CG1-CZ 3.65Å; V221-F224 HydrophobicContact CG2-CE1 4.06Å; V221-F224 HydrophobicContact CG2-CZ 4.04Å; V221-K242 WeakPolarHBondContact O-CD 3.47Å; V221-K242 WeakPolarHBondContact O-CE 3.46Å; V221-K242 PolarHBondContact O-NZ 3Å
222	D	97	Very high	90.2	Very high	58 Å²	58	37.1 Å²	37.1	31%	0.31	21%	0.208	S	C	.	.	S	Bend	trans	-81.8	-39.2	177.5	-61.6	-41.8	0	0	0	111.2	A169 N170 V171 P243	A169-D222 HydrophobicContact CB-CB 3.74Å; N170-D222 WeakPolarHBondContact CA-OD2 3.39Å; N170-D222 PolarHBondContact N-OD2 3.04Å; V171-D222 PolarHBondContact N-OD2 3.37Å; V171-D222 WeakPolarHBondContact O-CB 3.4Å; V171-D222 PolarHBondContact O-N 3.1Å; D222-P243 WeakPolarHBondContact O-CD 3.31Å
223	I	96.9	Very high	89.4	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	144.1	-178.1	-167.7	150	0	0	0	111.7	A166 A169 V171 V172 G173 V221 P243 I245	A166-I223 HydrophobicContact CB-CD1 3.67Å; A169-I223 HydrophobicContact CB-CB 4.26Å; A169-I223 HydrophobicContact CB-CG2 3.5Å; A169-I223 VanDerWaalsContact CB-CG2 3.5Å; V171-I223 PolarHBondContact O-N 2.96Å; V172-I223 WeakPolarHBondContact CA-O 3.28Å; V172-I223 HydrophobicContact CG1-CG2 4.46Å; V172-I223 HydrophobicContact CG2-CG2 4.12Å; G173-I223 PolarHBondContact N-O 3.18Å; V221-I223 WeakPolarHBondContact CG1-O 3.47Å; I223-P243 HydrophobicContact CB-CG 4.19Å; I223-P243 HydrophobicContact CD1-CB 4.17Å; I223-P243 HydrophobicContact CD1-CG 3.87Å; I223-P243 HydrophobicContact CG1-CB 4.24Å; I223-P243 HydrophobicContact CG1-CG 3.85Å; I223-I245 HydrophobicContact CD1-CD1 3.89Å; I223-I245 HydrophobicContact CD1-CG1 4.29Å; I223-I245 HydrophobicContact CD1-CG2 3.87Å; I223-I245 HydrophobicContact CG1-CD1 4.22Å; I223-I245 HydrophobicContact CG1-CG1 4.26Å; I223-I245 HydrophobicContact CG1-CG2 4.39Å
224	F	97.1	Very high	88.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	138.1	175.1	-69.8	-80.7	0	0	0	112	G173 L175 F205 L215 F218 V221 K242 P243 I244 I245	G173-F224 CarbonylContact O-C 3.48Å; G173-F224 WeakPolarHBondContact O-CA 2.97Å; G173-F224 WeakPolarHBondContact O-CD1 3.33Å; L175-F224 HydrophobicContact CD1-CB 3.81Å; L175-F224 HydrophobicContact CD1-CD1 3.93Å; L175-F224 HydrophobicContact CD1-CG 4Å; L175-F224 HydrophobicContact CD2-CD1 3.59Å; L175-F224 HydrophobicContact CD2-CE1 3.94Å; L175-F224 HydrophobicContact CD2-CG 4.48Å; L175-F224 HydrophobicContact CG-CB 4.11Å; L175-F224 HydrophobicContact CG-CD1 3.68Å; L175-F224 HydrophobicContact CG-CG 4.2Å; F205-F224 HydrophobicContact CD2-CE1 4.26Å; F205-F224 HydrophobicContact CE2-CE1 4.03Å; L215-F224 HydrophobicContact CB-CE2 4.03Å; L215-F224 HydrophobicContact CB-CZ 4.19Å; L215-F224 HydrophobicContact CD1-CD2 3.94Å; L215-F224 HydrophobicContact CD1-CE2 4.1Å; L215-F224 HydrophobicContact CD1-CG 4.3Å; L215-F224 HydrophobicContact CD2-CD1 4.36Å; L215-F224 HydrophobicContact CD2-CE1 4.07Å; L215-F224 HydrophobicContact CD2-CE2 4.39Å; L215-F224 HydrophobicContact CD2-CZ 4.08Å; L215-F224 HydrophobicContact CG-CE2 4.41Å; F218-F224 HydrophobicContact CB-CZ 4.21Å; V221-F224 HydrophobicContact CB-CE1 4.06Å; V221-F224 HydrophobicContact CB-CE2 4.11Å; V221-F224 HydrophobicContact CB-CZ 3.71Å; V221-F224 HydrophobicContact CG1-CD1 3.92Å; V221-F224 HydrophobicContact CG1-CD2 4.04Å; V221-F224 HydrophobicContact CG1-CE1 3.7Å; V221-F224 HydrophobicContact CG1-CE2 3.81Å; V221-F224 HydrophobicContact CG1-CG 4.09Å; V221-F224 HydrophobicContact CG1-CZ 3.65Å; V221-F224 HydrophobicContact CG2-CE1 4.06Å; V221-F224 HydrophobicContact CG2-CZ 4.04Å; F224-K242 HydrophobicContact CD2-CB 3.79Å; F224-K242 HydrophobicContact CE2-CB 3.69Å; F224-K242 HydrophobicContact CE2-CG 4.12Å; F224-P243 PolarHBondContact N-O 2.82Å; F224-I244 HydrophobicContact CB-CG1 4.07Å; F224-I244 CarbonylContact O-C 3.59Å; F224-I244 WeakPolarHBondContact O-CA 3.5Å; F224-I245 WeakPolarHBondContact O-CG1 3.38Å; F224-I245 PolarHBondContact O-N 2.92Å
225	V	95.2	Very high	88.5	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	117	170.1	-178.7	0	0	0	0	108.3	V172 G173 I174 L175 V191 I245 P247 F250	V172-V225 HydrophobicContact CG1-CG2 3.64Å; G173-V225 PolarHBondContact O-N 3.18Å; I174-V225 CarbonylContact C-O 3.53Å; I174-V225 WeakPolarHBondContact CA-O 3.42Å; L175-V225 PolarHBondContact N-O 2.91Å; V191-V225 HydrophobicContact CG1-CB 4.36Å; V191-V225 HydrophobicContact CG1-CG1 4.06Å; V191-V225 HydrophobicContact CG1-CG2 4.43Å; V191-V225 HydrophobicContact CG2-CG1 4.31Å; V225-I245 CarbonylContact C-O 3.56Å; V225-I245 WeakPolarHBondContact CA-O 3.28Å; V225-I245 HydrophobicContact CG2-CD1 4.27Å; V225-I245 HydrophobicContact CG2-CG1 4.02Å; V225-P247 HydrophobicContact CG1-CB 4.38Å; V225-P247 HydrophobicContact CG1-CG 4.11Å; V225-F250 HydrophobicContact CG1-CB 4.26Å; V225-F250 HydrophobicContact CG2-CB 3.8Å; V225-F250 HydrophobicContact CG2-CD1 4.32Å; V225-F250 HydrophobicContact CG2-CD2 3.63Å; V225-F250 HydrophobicContact CG2-CE2 4.28Å; V225-F250 HydrophobicContact CG2-CG 3.64Å
226	Y	93.2	Very high	87.9	Confident	20 Å²	20	35.1 Å²	35.1	8%	0.078	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	109.3	-176.7	179.8	-109.7	0	0	0	112.5	L175 G177 V210 G228 I235 I245 P247	L175-Y226 HydrophobicContact CB-CD2 3.8Å; L175-Y226 HydrophobicContact CD1-CD2 4.43Å; G177-Y226 VanDerWaalsContact CA-CE2 3.46Å; V210-Y226 HydrophobicContact CG2-CD2 3.6Å; V210-Y226 HydrophobicContact CG2-CE2 3.37Å; Y226-G228 PolarHBondContact O-N 3.26Å; Y226-I235 HydrophobicContact CD1-CD1 4.05Å; Y226-I235 HydrophobicContact CE1-CD1 4.23Å; Y226-I235 HydrophobicContact CG-CD1 4.22Å; Y226-I245 PolarHBondContact N-O 3.44Å; Y226-P247 WeakPolarHBondContact O-CD 3.42Å
227	I	90.1	Very high	87.5	Confident	2 Å²	2	35 Å²	35	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	94.6	170.3	-60.3	179.1	0	0	0	107.5	I174 L175 G177 R184 L187 L188 V191 P247	I174-I227 HydrophobicContact CG2-CD1 3.52Å; I174-I227 HydrophobicContact CG2-CG1 3.97Å; L175-I227 PolarHBondContact O-N 3.25Å; G177-I227 PolarHBondContact N-O 2.83Å; R184-I227 HydrophobicContact CB-CG2 4.24Å; L187-I227 HydrophobicContact CB-CD1 4.46Å; L187-I227 HydrophobicContact CD2-CB 4.42Å; L187-I227 HydrophobicContact CD2-CD1 4.47Å; L187-I227 HydrophobicContact CD2-CG1 4.11Å; L187-I227 HydrophobicContact CD2-CG2 3.77Å; L187-I227 HydrophobicContact CG-CD1 4.14Å; L187-I227 HydrophobicContact CG-CG1 4.27Å; L187-I227 HydrophobicContact CG-CG2 4.39Å; L188-I227 HydrophobicContact CB-CD1 4.06Å; L188-I227 HydrophobicContact CD1-CD1 4.39Å; V191-I227 HydrophobicContact CG2-CD1 4.32Å; I227-P247 HydrophobicContact CG1-CG 3.98Å
228	G	82.8	Confident	87	Confident	7 Å²	7	35.1 Å²	35.1	7%	0.072	20%	0.202	C	C	.	.	S	Bend	trans	-152	-165.6	-176.4	0	0	0	0	0	112.3	M181 Y226	M181-G228 WeakPolarHBondContact CE-O 3.46Å; Y226-G228 PolarHBondContact O-N 3.26Å
229	C	79.1	Confident	86.7	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.014	22%	0.218	C	C	.	.			trans	-55.1	133.8	178.5	-171.5	0	0	0	0	110.5	C24 Y231 S232 S233	C24-C229 WeakPolarHBondContact SG-CB 3.16Å; C229-Y231 PolarHBondContact O-N 2.87Å; C229-Y231 VanDerWaalsContact O-N 3.15Å; C229-S232 VanDerWaalsContact CB-OG 3.32Å; C229-S232 WeakPolarHBondContact CB-OG 3.33Å; C229-S232 CarbonylContact O-C 3.56Å; C229-S232 PolarHBondContact O-N 2.95Å; C229-S232 PolarHBondContact O-OG 2.78Å; C229-S233 WeakPolarHBondContact O-CB 3.22Å; C229-S233 PolarHBondContact O-N 3.03Å
230	P	76	Confident	86.5	Confident	16 Å²	16	35.6 Å²	35.6	10%	0.104	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-55.6	-36.7	178	20.7	-32.5	0	0	0	111.8	L125 S232 S233 F269	L125-P230 HydrophobicContact CD2-CB 4.42Å; P230-S232 PolarHBondContact O-N 3.44Å; P230-S233 PolarHBondContact O-N 3.15Å; P230-S233 PolarHBondContact O-OG 2.8Å; P230-F269 HydrophobicContact CG-CE1 4.27Å
231	Y	77	Confident	86.1	Confident	25 Å²	25	40.1 Å²	40.1	10%	0.098	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-74	-20.6	177.9	-54.1	-71.8	0	0	0	114.3	C45 A103 C121 R122 L125 C229	C45-Y231 HydrophobicContact CB-CD2 3.54Å; C45-Y231 HydrophobicContact CB-CE2 3.75Å; A103-Y231 WeakPolarHBondContact CB-OH 3.02Å; C121-Y231 VanDerWaalsContact CB-O 3.25Å; C121-Y231 WeakPolarHBondContact CB-O 3.42Å; R122-Y231 HydrophobicContact CB-CD1 4.27Å; R122-Y231 HydrophobicContact CB-CE1 4.27Å; R122-Y231 HydrophobicContact CG-CD1 3.65Å; R122-Y231 HydrophobicContact CG-CE1 3.65Å; R122-Y231 HydrophobicContact CG-CG 4.22Å; L125-Y231 HydrophobicContact CB-CD1 4.3Å; L125-Y231 HydrophobicContact CD2-CD1 3.53Å; L125-Y231 HydrophobicContact CD2-CE1 3.75Å; L125-Y231 HydrophobicContact CD2-CG 4.38Å; C229-Y231 PolarHBondContact O-N 2.87Å; C229-Y231 VanDerWaalsContact O-N 3.15Å
232	S	75.9	Confident	85.9	Confident	30 Å²	30	42.8 Å²	42.8	21%	0.21	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-107.5	8.7	176	77.7	0	0	0	0	112.7	C229 P230 I235	C229-S232 VanDerWaalsContact CB-OG 3.32Å; C229-S232 WeakPolarHBondContact CB-OG 3.33Å; C229-S232 CarbonylContact O-C 3.56Å; C229-S232 PolarHBondContact O-N 2.95Å; C229-S232 PolarHBondContact O-OG 2.78Å; P230-S232 PolarHBondContact O-N 3.44Å; S232-I235 WeakPolarHBondContact O-CG1 3.4Å
233	S	76.5	Confident	85.8	Confident	16 Å²	16	41.9 Å²	41.9	11%	0.112	22%	0.22	C	C	.	.			trans	-80.3	-21.3	-174.2	67.6	0	0	0	0	113.9	C229 P230 I235	C229-S233 WeakPolarHBondContact O-CB 3.22Å; C229-S233 PolarHBondContact O-N 3.03Å; P230-S233 PolarHBondContact O-N 3.15Å; P230-S233 PolarHBondContact O-OG 2.8Å; S233-I235 PolarHBondContact O-N 2.82Å
234	L	81.6	Confident	85.7	Confident	43 Å²	43	42 Å²	42	23%	0.225	22%	0.221	C	C	.	.			trans	-86.3	57.7	-179	-61.8	170.8	0	0	0	111.2	L125 L128 D236	L125-L234 HydrophobicContact CD1-CD1 3.83Å; L128-L234 HydrophobicContact CD1-CD1 3.4Å; L128-L234 VanDerWaalsContact CD1-CD1 3.4Å; L234-D236 PolarHBondContact O-N 3.03Å
235	I	81.6	Confident	85.6	Confident	33 Å²	33	42 Å²	42	17%	0.169	22%	0.221	C	C	.	.			trans	-75.2	115.8	177.2	-54.5	175.5	0	0	0	108.2	R159 V210 Y226 S232 S233 F240 I244	R159-I235 PolarHBondContact NH1-O 3.43Å; V210-I235 HydrophobicContact CB-CD1 4.3Å; V210-I235 HydrophobicContact CG1-CD1 4.42Å; V210-I235 HydrophobicContact CG2-CD1 4.4Å; Y226-I235 HydrophobicContact CD1-CD1 4.05Å; Y226-I235 HydrophobicContact CE1-CD1 4.23Å; Y226-I235 HydrophobicContact CG-CD1 4.22Å; S232-I235 WeakPolarHBondContact O-CG1 3.4Å; S233-I235 PolarHBondContact O-N 2.82Å; I235-F240 HydrophobicContact CG2-CD2 3.87Å; I235-F240 HydrophobicContact CG2-CE2 3.42Å; I235-F240 VanDerWaalsContact CG2-CE2 3.42Å; I235-F240 HydrophobicContact CG2-CZ 4.16Å; I235-I244 HydrophobicContact CB-CB 4.25Å; I235-I244 HydrophobicContact CB-CD1 4.2Å; I235-I244 HydrophobicContact CB-CG2 4.2Å; I235-I244 HydrophobicContact CD1-CD1 4.35Å; I235-I244 HydrophobicContact CD1-CG2 4.3Å; I235-I244 HydrophobicContact CG2-CD1 3.68Å
236	D	81.1	Confident	85.4	Confident	74 Å²	74	42.5 Å²	42.5	40%	0.396	22%	0.224	S	C	.	.			trans	-143.8	81.8	177.6	-170.4	23.2	0	0	0	108.2	R158 L234	R158-D236 WeakPolarHBondContact CG-OD2 3.39Å; R158-D236 IonicContact CZ-OD1 2.86Å; R158-D236 IonicContact NE-OD1 3.2Å; R158-D236 PolarHBondContact NE-OD1 3.13Å; R158-D236 IonicContact NE-OD2 2.66Å; R158-D236 IonicContact NH2-OD1 3.77Å; L234-D236 PolarHBondContact O-N 3.03Å
237	S	83.5	Confident	85.2	Confident	41 Å²	41	42.3 Å²	42.3	29%	0.287	23%	0.226	S	C	.	.			trans	-126.3	137.9	177.5	170	0	0	0	0	109	E239 F240	S237-E239 PolarHBondContact O-N 2.98Å; S237-E239 WeakPolarHBondContact OG-CB 3.46Å; S237-E239 WeakPolarHBondContact OG-CG 3.42Å; S237-E239 PolarHBondContact OG-N 2.94Å; S237-E239 VanDerWaalsContact OG-N 3.15Å; S237-F240 PolarHBondContact O-N 2.88Å
238	S	83.3	Confident	84.9	Confident	122 Å²	122	44 Å²	44	85%	0.853	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.2	174.1	52.5	0	0	0	0	113.1	F240	S238-F240 PolarHBondContact O-N 2.65Å
239	E	88.4	Confident	85.3	Confident	130 Å²	130	44.1 Å²	44.1	61%	0.607	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.4	175.9	-62.7	177.3	176.4	0	0	112.6	P212 S237	P212-E239 WeakPolarHBondContact CB-O 3.34Å; P212-E239 HydrophobicContact CG-CB 3.81Å; S237-E239 PolarHBondContact O-N 2.98Å; S237-E239 WeakPolarHBondContact OG-CB 3.46Å; S237-E239 WeakPolarHBondContact OG-CG 3.42Å; S237-E239 PolarHBondContact OG-N 2.94Å; S237-E239 VanDerWaalsContact OG-N 3.15Å
240	F	89.3	Confident	86	Confident	31 Å²	31	44 Å²	44	14%	0.136	23%	0.231	C	C	.	.			trans	-86.5	117.6	176.8	-64.9	-75.5	0	0	0	110.5	V210 P212 L215 I235 S237 S238 K242 I244	V210-F240 HydrophobicContact CG1-CE1 3.66Å; V210-F240 HydrophobicContact CG1-CZ 3.92Å; P212-F240 HydrophobicContact CB-CD1 4.42Å; P212-F240 HydrophobicContact CG-CD1 4.17Å; P212-F240 HydrophobicContact CG-CE1 4Å; P212-F240 HydrophobicContact CG-CZ 4.36Å; L215-F240 HydrophobicContact CD1-CD1 3.76Å; L215-F240 HydrophobicContact CD1-CE1 4.05Å; L215-F240 HydrophobicContact CG-CD1 4.42Å; I235-F240 HydrophobicContact CG2-CD2 3.87Å; I235-F240 HydrophobicContact CG2-CE2 3.42Å; I235-F240 VanDerWaalsContact CG2-CE2 3.42Å; I235-F240 HydrophobicContact CG2-CZ 4.16Å; S237-F240 PolarHBondContact O-N 2.88Å; S238-F240 PolarHBondContact O-N 2.65Å; F240-K242 PolarHBondContact O-N 2.84Å; F240-K242 VanDerWaalsContact O-N 3.11Å; F240-I244 HydrophobicContact CB-CD1 4.33Å; F240-I244 HydrophobicContact CD1-CD1 3.8Å; F240-I244 HydrophobicContact CD2-CD1 3.88Å; F240-I244 HydrophobicContact CE1-CD1 4Å; F240-I244 HydrophobicContact CE2-CD1 4.1Å; F240-I244 HydrophobicContact CG-CD1 3.73Å; F240-I244 HydrophobicContact CZ-CD1 4.14Å
241	Y	86.5	Confident	86.6	Confident	191 Å²	191	44 Å²	44	75%	0.749	23%	0.23	S	C	*	.	S	Bend	trans	-60.5	-20.3	176.6	-58.1	-76.2	0	0	0	114.1	A216	A216-Y241 HydrophobicContact CB-CD2 4.03Å; A216-Y241 HydrophobicContact CB-CE2 4.09Å
242	K	92.6	Very high	87.1	Confident	57 Å²	57	43.7 Å²	43.7	25%	0.248	23%	0.23	C	C	.	.	S	Bend	trans	-127.7	141.1	179	-61.7	-65.6	-175.1	144.7	0	110.2	P219 V221 F224 F240	P219-K242 WeakPolarHBondContact O-CE 3.28Å; P219-K242 PolarHBondContact O-NZ 2.8Å; V221-K242 WeakPolarHBondContact O-CD 3.47Å; V221-K242 WeakPolarHBondContact O-CE 3.46Å; V221-K242 PolarHBondContact O-NZ 3Å; F224-K242 HydrophobicContact CD2-CB 3.79Å; F224-K242 HydrophobicContact CE2-CB 3.69Å; F224-K242 HydrophobicContact CE2-CG 4.12Å; F240-K242 PolarHBondContact O-N 2.84Å; F240-K242 VanDerWaalsContact O-N 3.11Å
243	P	94.6	Very high	87.9	Confident	38 Å²	38	42.6 Å²	42.6	25%	0.247	22%	0.223	C	C	.	.			trans	-63.4	146.4	-179.2	24.2	-32.1	0	0	0	112.1	L162 D222 I223 F224	L162-P243 HydrophobicContact CD2-CB 3.66Å; D222-P243 WeakPolarHBondContact O-CD 3.31Å; I223-P243 HydrophobicContact CB-CG 4.19Å; I223-P243 HydrophobicContact CD1-CB 4.17Å; I223-P243 HydrophobicContact CD1-CG 3.87Å; I223-P243 HydrophobicContact CG1-CB 4.24Å; I223-P243 HydrophobicContact CG1-CG 3.85Å; F224-P243 PolarHBondContact N-O 2.82Å
244	I	95.3	Very high	88.5	Confident	5 Å²	5	43 Å²	43	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124	174.6	-56.5	162.2	0	0	0	108.6	R159 V210 L215 F224 I235 F240	R159-I244 PolarHBondContact NH1-O 3.41Å; V210-I244 HydrophobicContact CG1-CD1 3.94Å; L215-I244 HydrophobicContact CD1-CD1 3.7Å; L215-I244 HydrophobicContact CD1-CG1 4.06Å; F224-I244 HydrophobicContact CB-CG1 4.07Å; F224-I244 CarbonylContact O-C 3.59Å; F224-I244 WeakPolarHBondContact O-CA 3.5Å; I235-I244 HydrophobicContact CB-CB 4.25Å; I235-I244 HydrophobicContact CB-CD1 4.2Å; I235-I244 HydrophobicContact CB-CG2 4.2Å; I235-I244 HydrophobicContact CD1-CD1 4.35Å; I235-I244 HydrophobicContact CD1-CG2 4.3Å; I235-I244 HydrophobicContact CG2-CD1 3.68Å; F240-I244 HydrophobicContact CB-CD1 4.33Å; F240-I244 HydrophobicContact CD1-CD1 3.8Å; F240-I244 HydrophobicContact CD2-CD1 3.88Å; F240-I244 HydrophobicContact CE1-CD1 4Å; F240-I244 HydrophobicContact CE2-CD1 4.1Å; F240-I244 HydrophobicContact CG-CD1 3.73Å; F240-I244 HydrophobicContact CZ-CD1 4.14Å
245	I	93.6	Very high	88.3	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	162.6	178.8	66.9	177.1	0	0	0	111	L162 A166 I223 F224 V225 Y226 E249 F250	L162-I245 HydrophobicContact CB-CG2 3.65Å; L162-I245 HydrophobicContact CD1-CG2 4.27Å; A166-I245 HydrophobicContact CB-CD1 3.6Å; I223-I245 HydrophobicContact CD1-CD1 3.89Å; I223-I245 HydrophobicContact CD1-CG1 4.29Å; I223-I245 HydrophobicContact CD1-CG2 3.87Å; I223-I245 HydrophobicContact CG1-CD1 4.22Å; I223-I245 HydrophobicContact CG1-CG1 4.26Å; I223-I245 HydrophobicContact CG1-CG2 4.39Å; F224-I245 WeakPolarHBondContact O-CG1 3.38Å; F224-I245 PolarHBondContact O-N 2.92Å; V225-I245 CarbonylContact C-O 3.56Å; V225-I245 WeakPolarHBondContact CA-O 3.28Å; V225-I245 HydrophobicContact CG2-CD1 4.27Å; V225-I245 HydrophobicContact CG2-CG1 4.02Å; Y226-I245 PolarHBondContact N-O 3.44Å; I245-E249 HydrophobicContact CB-CB 4.01Å; I245-E249 HydrophobicContact CD1-CB 4.31Å; I245-F250 HydrophobicContact CD1-CB 3.88Å; I245-F250 HydrophobicContact CD1-CD2 4.1Å
246	S	91	Very high	87.2	Confident	10 Å²	10	47.9 Å²	47.9	7%	0.07	26%	0.259	C	S	.	.			trans	-78.5	160.4	171.8	67.6	0	0	0	0	111	F248 E249 F250	S246-F248 PolarHBondContact O-N 3.08Å; S246-E249 WeakPolarHBondContact CB-OE2 3.5Å; S246-E249 PolarHBondContact N-OE2 3.33Å; S246-E249 PolarHBondContact O-N 2.97Å; S246-E249 VanDerWaalsContact OG-CD 3.28Å; S246-E249 WeakPolarHBondContact OG-CG 3.16Å; S246-E249 PolarHBondContact OG-N 2.88Å; S246-E249 PolarHBondContact OG-OE2 2.97Å; S246-F250 PolarHBondContact O-N 2.96Å; S246-F250 VanDerWaalsContact O-N 3.11Å
247	P	90	Very high	85.9	Confident	16 Å²	16	52.7 Å²	52.7	10%	0.104	28%	0.281	C	S	.	.	H	α-helix	trans	-56.6	-33.8	171.1	-26	35.6	0	0	0	113	L187 V191 V225 Y226 I227 F250 D251	L187-P247 HydrophobicContact CD1-CB 3.91Å; L187-P247 HydrophobicContact CD1-CG 4.37Å; L187-P247 HydrophobicContact CD2-CB 4.21Å; L187-P247 HydrophobicContact CD2-CG 3.74Å; L187-P247 HydrophobicContact CG-CB 4.25Å; L187-P247 HydrophobicContact CG-CG 4.2Å; V191-P247 HydrophobicContact CG2-CB 4Å; V225-P247 HydrophobicContact CG1-CB 4.38Å; V225-P247 HydrophobicContact CG1-CG 4.11Å; Y226-P247 WeakPolarHBondContact O-CD 3.42Å; I227-P247 HydrophobicContact CG1-CG 3.98Å; P247-F250 PolarHBondContact O-N 2.87Å; P247-D251 PolarHBondContact O-N 2.77Å
248	F	84.1	Confident	84.5	Confident	36 Å²	36	52.7 Å²	52.7	16%	0.158	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-47.1	176.2	168.9	-108.2	0	0	0	112.2	S246 F250 D251 L252 W260 K261 P262 V265	S246-F248 PolarHBondContact O-N 3.08Å; F248-F250 VanDerWaalsContact C-N 3.3Å; F248-F250 PolarHBondContact O-N 3.29Å; F248-D251 WeakPolarHBondContact O-CB 3.37Å; F248-D251 PolarHBondContact O-N 2.86Å; F248-L252 HydrophobicContact CD1-CD1 4.09Å; F248-L252 HydrophobicContact CE1-CD1 3.49Å; F248-L252 VanDerWaalsContact CE1-CD1 3.49Å; F248-L252 HydrophobicContact CE1-CG 4.42Å; F248-L252 HydrophobicContact CE2-CD1 4.13Å; F248-L252 HydrophobicContact CE2-CD2 4.45Å; F248-L252 HydrophobicContact CE2-CG 4.25Å; F248-L252 HydrophobicContact CZ-CD1 3.52Å; F248-L252 HydrophobicContact CZ-CD2 4.39Å; F248-L252 HydrophobicContact CZ-CG 4.12Å; F248-L252 WeakPolarHBondContact O-CG 3.5Å; F248-L252 PolarHBondContact O-N 2.82Å; F248-W260 AromaticContact CE1-NE1 3.86Å; F248-K261 WeakPolarHBondContact CE2-O 3.45Å; F248-P262 HydrophobicContact CE1-CB 4.5Å; F248-P262 HydrophobicContact CZ-CB 4.17Å; F248-P262 HydrophobicContact CZ-CG 4.13Å; F248-V265 HydrophobicContact CB-CG1 4.36Å; F248-V265 HydrophobicContact CD2-CB 3.88Å; F248-V265 HydrophobicContact CD2-CG1 4.41Å; F248-V265 HydrophobicContact CD2-CG2 3.73Å; F248-V265 HydrophobicContact CE2-CG2 4.28Å
249	E	90.6	Very high	82.9	Confident	11 Å²	11	48.6 Å²	48.6	5%	0.051	26%	0.26	C	S	.	.	H	α-helix	trans	-67.6	-33.5	178.2	-74.1	154	151.6	0	0	112.3	R159 V163 I245 S246 L252 A253	R159-E249 WeakPolarHBondContact CB-OE1 3.44Å; R159-E249 IonicContact CZ-OE1 3.44Å; R159-E249 VanDerWaalsContact CZ-OE1 3.23Å; R159-E249 IonicContact CZ-OE2 3.04Å; R159-E249 IonicContact NE-OE1 2.95Å; R159-E249 PolarHBondContact NE-OE1 2.95Å; R159-E249 IonicContact NE-OE2 3.86Å; R159-E249 IonicContact NH2-OE1 3.8Å; R159-E249 PolarHBondContact NH2-OE1 3.23Å; R159-E249 VanDerWaalsContact NH2-OE1 3.1Å; R159-E249 IonicContact NH2-OE2 3.76Å; R159-E249 PolarHBondContact NH2-OE2 3.29Å; V163-E249 HydrophobicContact CG2-CB 3.66Å; V163-E249 HydrophobicContact CG2-CG 3.71Å; I245-E249 HydrophobicContact CB-CB 4.01Å; I245-E249 HydrophobicContact CD1-CB 4.31Å; S246-E249 WeakPolarHBondContact CB-OE2 3.5Å; S246-E249 PolarHBondContact N-OE2 3.33Å; S246-E249 PolarHBondContact O-N 2.97Å; S246-E249 VanDerWaalsContact OG-CD 3.28Å; S246-E249 WeakPolarHBondContact OG-CG 3.16Å; S246-E249 PolarHBondContact OG-N 2.88Å; S246-E249 PolarHBondContact OG-OE2 2.97Å; E249-L252 PolarHBondContact O-N 2.64Å; E249-A253 WeakPolarHBondContact O-CB 3.02Å; E249-A253 PolarHBondContact O-N 2.84Å
250	F	93.3	Very high	81	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-40.5	173.7	-171.5	-108.1	0	0	0	112.2	V172 V191 K194 A195 K200 V225 I245 S246 P247 F248 L252 A253 C254	V172-F250 HydrophobicContact CB-CE2 4.35Å; V172-F250 HydrophobicContact CB-CZ 4.49Å; V172-F250 HydrophobicContact CG1-CD2 4.4Å; V172-F250 HydrophobicContact CG1-CE2 3.82Å; V172-F250 HydrophobicContact CG1-CZ 4.07Å; V172-F250 HydrophobicContact CG2-CE2 3.64Å; V172-F250 HydrophobicContact CG2-CZ 3.96Å; V191-F250 HydrophobicContact CG1-CD1 3.73Å; V191-F250 HydrophobicContact CG1-CE1 3.83Å; V191-F250 WeakPolarHBondContact O-CE1 3.37Å; K194-F250 HydrophobicContact CB-CD1 4.44Å; K194-F250 HydrophobicContact CB-CE1 4.04Å; A195-F250 HydrophobicContact CB-CE1 4.08Å; A195-F250 HydrophobicContact CB-CZ 3.84Å; K200-F250 HydrophobicContact CD-CE2 4.36Å; K200-F250 HydrophobicContact CD-CZ 4.46Å; V225-F250 HydrophobicContact CG1-CB 4.26Å; V225-F250 HydrophobicContact CG2-CB 3.8Å; V225-F250 HydrophobicContact CG2-CD1 4.32Å; V225-F250 HydrophobicContact CG2-CD2 3.63Å; V225-F250 HydrophobicContact CG2-CE2 4.28Å; V225-F250 HydrophobicContact CG2-CG 3.64Å; I245-F250 HydrophobicContact CD1-CB 3.88Å; I245-F250 HydrophobicContact CD1-CD2 4.1Å; S246-F250 PolarHBondContact O-N 2.96Å; S246-F250 VanDerWaalsContact O-N 3.11Å; P247-F250 PolarHBondContact O-N 2.87Å; F248-F250 VanDerWaalsContact C-N 3.3Å; F248-F250 PolarHBondContact O-N 3.29Å; F250-L252 VanDerWaalsContact C-N 3.33Å; F250-L252 PolarHBondContact O-N 2.77Å; F250-A253 PolarHBondContact O-N 3.46Å; F250-C254 VanDerWaalsContact CE1-SG 3.56Å; F250-C254 WeakPolarHBondContact CZ-SG 3.34Å; F250-C254 WeakPolarHBondContact O-CB 3.41Å; F250-C254 PolarHBondContact O-N 2.65Å; F250-C254 PolarHBondContact O-SG 3.25Å; F250-C254 VanDerWaalsContact O-SG 3.33Å
251	D	89.8	Confident	79.2	Confident	14 Å²	14	48.1 Å²	48.1	8%	0.075	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-43.2	174.2	-82	-11.9	0	0	0	111.5	R190 K194 P247 F248 C254 N255	R190-D251 IonicContact CZ-OD2 3.89Å; R190-D251 IonicContact NE-OD1 3.29Å; R190-D251 IonicContact NE-OD2 2.81Å; R190-D251 PolarHBondContact NE-OD2 2.81Å; R190-D251 IonicContact NH2-OD2 2.71Å; R190-D251 PolarHBondContact NH2-OD2 3.38Å; K194-D251 WeakPolarHBondContact CG-OD1 3.46Å; P247-D251 PolarHBondContact O-N 2.77Å; F248-D251 WeakPolarHBondContact O-CB 3.37Å; F248-D251 PolarHBondContact O-N 2.86Å; D251-C254 PolarHBondContact O-N 2.77Å; D251-N255 WeakPolarHBondContact O-CB 3.35Å; D251-N255 PolarHBondContact O-N 3.13Å; D251-N255 VanDerWaalsContact O-N 3.09Å
252	L	87.5	Confident	77.3	Confident	19 Å²	19	40.6 Å²	40.6	10%	0.099	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-43.3	174.1	-69.8	172.6	0	0	0	111.8	V163 F248 E249 F250 C254 N255	V163-L252 HydrophobicContact CG1-CB 4.14Å; F248-L252 HydrophobicContact CD1-CD1 4.09Å; F248-L252 HydrophobicContact CE1-CD1 3.49Å; F248-L252 VanDerWaalsContact CE1-CD1 3.49Å; F248-L252 HydrophobicContact CE1-CG 4.42Å; F248-L252 HydrophobicContact CE2-CD1 4.13Å; F248-L252 HydrophobicContact CE2-CD2 4.45Å; F248-L252 HydrophobicContact CE2-CG 4.25Å; F248-L252 HydrophobicContact CZ-CD1 3.52Å; F248-L252 HydrophobicContact CZ-CD2 4.39Å; F248-L252 HydrophobicContact CZ-CG 4.12Å; F248-L252 WeakPolarHBondContact O-CG 3.5Å; F248-L252 PolarHBondContact O-N 2.82Å; E249-L252 PolarHBondContact O-N 2.64Å; F250-L252 VanDerWaalsContact C-N 3.33Å; F250-L252 PolarHBondContact O-N 2.77Å; L252-C254 VanDerWaalsContact C-N 3.32Å; L252-C254 PolarHBondContact O-N 2.87Å; L252-N255 PolarHBondContact O-N 3.26Å
253	A	91.6	Very high	75.2	Confident	8 Å²	8	40.2 Å²	40.2	7%	0.066	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-36	178.5	0	0	0	0	0	112.6	V163 A166 K167 E249 F250	V163-A253 HydrophobicContact CG1-CB 4.16Å; A166-A253 HydrophobicContact CB-CB 3.48Å; A166-A253 VanDerWaalsContact CB-CB 3.48Å; K167-A253 HydrophobicContact CG-CB 3.97Å; K167-A253 WeakPolarHBondContact CG-O 3.46Å; E249-A253 WeakPolarHBondContact O-CB 3.02Å; E249-A253 PolarHBondContact O-N 2.84Å; F250-A253 PolarHBondContact O-N 3.46Å
254	C	89.4	Confident	73	Confident	25 Å²	25	42.1 Å²	42.1	17%	0.169	24%	0.238	C	C	.	.	H	α-helix	trans	-83.6	-9.4	179.8	-65.2	0	0	0	0	113.7	K194 A198 F250 D251 L252	K194-C254 HydrophobicContact CB-CB 4.19Å; A198-C254 HydrophobicContact CB-CB 4.23Å; F250-C254 VanDerWaalsContact CE1-SG 3.56Å; F250-C254 WeakPolarHBondContact CZ-SG 3.34Å; F250-C254 WeakPolarHBondContact O-CB 3.41Å; F250-C254 PolarHBondContact O-N 2.65Å; F250-C254 PolarHBondContact O-SG 3.25Å; F250-C254 VanDerWaalsContact O-SG 3.33Å; D251-C254 PolarHBondContact O-N 2.77Å; L252-C254 VanDerWaalsContact C-N 3.32Å; L252-C254 PolarHBondContact O-N 2.87Å
255	N	76.6	Confident	70.5	Confident	58 Å²	58	43.3 Å²	43.3	31%	0.31	25%	0.245	S	C	.	.			trans	-122.9	91.8	-179.3	-168.8	-3.9	0	0	0	111.8	D251 L252 M257 A258	D251-N255 WeakPolarHBondContact O-CB 3.35Å; D251-N255 PolarHBondContact O-N 3.13Å; D251-N255 VanDerWaalsContact O-N 3.09Å; L252-N255 PolarHBondContact O-N 3.26Å; N255-M257 PolarHBondContact O-N 3.01Å; N255-M257 VanDerWaalsContact O-N 3.07Å; N255-M257 PolarHBondContact OD1-N 3.43Å; N255-M257 VanDerWaalsContact OD1-N 3.14Å; N255-A258 HydrophobicContact CB-CB 3.78Å; N255-A258 WeakPolarHBondContact ND2-CB 3.29Å; N255-A258 PolarHBondContact O-N 3.28Å; N255-A258 VanDerWaalsContact O-N 3.08Å; N255-A258 PolarHBondContact OD1-N 3.37Å
256	P	59.9	Low	68	Low	120 Å²	120	44.5 Å²	44.5	78%	0.779	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.4	177.5	-21.8	31.7	0	0	0	114.2
257	M	53.7	Low	65.6	Low	174 Å²	174	47.6 Å²	47.6	86%	0.857	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-6.7	-178.8	-62.7	-105.8	83	0	0	113.1	N255 G259	N255-M257 PolarHBondContact O-N 3.01Å; N255-M257 VanDerWaalsContact O-N 3.07Å; N255-M257 PolarHBondContact OD1-N 3.43Å; N255-M257 VanDerWaalsContact OD1-N 3.14Å; M257-G259 PolarHBondContact O-N 2.91Å
258	A	53.2	Low	63.3	Low	42 Å²	42	50 Å²	50	35%	0.347	28%	0.284	S	S	.	.			trans	-79.8	113.5	177.9	0	0	0	0	0	110.9	N255	N255-A258 HydrophobicContact CB-CB 3.78Å; N255-A258 WeakPolarHBondContact ND2-CB 3.29Å; N255-A258 PolarHBondContact O-N 3.28Å; N255-A258 VanDerWaalsContact O-N 3.08Å; N255-A258 PolarHBondContact OD1-N 3.37Å
259	G	50.2	Low	61.1	Low	36 Å²	36	51.8 Å²	51.8	37%	0.371	29%	0.292	S	S	.	.			trans	-59.5	151.1	161.6	0	0	0	0	0	111.2	M257 K261	M257-G259 PolarHBondContact O-N 2.91Å; G259-K261 WeakPolarHBondContact O-CG 3.32Å; G259-K261 PolarHBondContact O-N 3.42Å; G259-K261 VanDerWaalsContact O-N 3.14Å
260	W	47.9	Very low	58.6	Low	58 Å²	58	54.7 Å²	54.7	22%	0.22	31%	0.308	C	S	.	.			trans	-66.7	110.3	-177.9	-160	76.3	0	0	0	110.8	L156 F248 P262 F283 Y286	L156-W260 HydrophobicContact CD2-CH2 4.11Å; L156-W260 HydrophobicContact CD2-CZ2 4.16Å; F248-W260 AromaticContact CE1-NE1 3.86Å; W260-P262 HydrophobicContact CD2-CG 3.75Å; W260-P262 VanDerWaalsContact CE3-CD 3.48Å; W260-P262 HydrophobicContact CE3-CG 3.36Å; W260-P262 HydrophobicContact CH2-CB 4.44Å; W260-P262 HydrophobicContact CH2-CG 3.31Å; W260-P262 HydrophobicContact CZ2-CG 3.69Å; W260-P262 HydrophobicContact CZ3-CB 4.5Å; W260-P262 HydrophobicContact CZ3-CG 3.1Å; W260-F283 WeakPolarHBondContact O-CE1 3.25Å; W260-F283 WeakPolarHBondContact O-CZ 3.34Å; W260-Y286 HydrophobicContact CD2-CD1 4.16Å; W260-Y286 HydrophobicContact CD2-CD2 4.44Å; W260-Y286 HydrophobicContact CD2-CE1 4.28Å; W260-Y286 HydrophobicContact CD2-CG 4.23Å; W260-Y286 AromaticContact CE3-CD1 3.82Å; W260-Y286 HydrophobicContact CE3-CD1 3.82Å; W260-Y286 AromaticContact CE3-CD2 3.38Å; W260-Y286 HydrophobicContact CE3-CD2 3.38Å; W260-Y286 AromaticContact CE3-CE1 3.89Å; W260-Y286 HydrophobicContact CE3-CE1 3.89Å; W260-Y286 AromaticContact CE3-CE2 3.48Å; W260-Y286 HydrophobicContact CE3-CE2 3.48Å; W260-Y286 VanDerWaalsContact CE3-CE2 3.48Å; W260-Y286 AromaticContact CE3-CG 3.56Å; W260-Y286 HydrophobicContact CE3-CG 3.56Å; W260-Y286 AromaticContact CE3-CZ 3.7Å; W260-Y286 HydrophobicContact CH2-CE1 4.05Å; W260-Y286 AromaticContact CH2-CE2 3.84Å; W260-Y286 HydrophobicContact CH2-CE2 3.84Å; W260-Y286 AromaticContact CH2-CZ 3.5Å; W260-Y286 VanDerWaalsContact CH2-CZ 3.5Å; W260-Y286 WeakPolarHBondContact CH2-OH 3.46Å; W260-Y286 HydrophobicContact CZ2-CE1 4.43Å; W260-Y286 HydrophobicContact CZ3-CD1 4.17Å; W260-Y286 AromaticContact CZ3-CD2 3.48Å; W260-Y286 HydrophobicContact CZ3-CD2 3.48Å; W260-Y286 VanDerWaalsContact CZ3-CD2 3.48Å; W260-Y286 AromaticContact CZ3-CE1 3.78Å; W260-Y286 HydrophobicContact CZ3-CE1 3.78Å; W260-Y286 AromaticContact CZ3-CE2 3.01Å; W260-Y286 HydrophobicContact CZ3-CE2 3.01Å; W260-Y286 HydrophobicContact CZ3-CG 4.03Å; W260-Y286 AromaticContact CZ3-CZ 3.15Å; W260-Y286 WeakPolarHBondContact CZ3-OH 3.49Å
261	K	51.7	Low	55.7	Low	92 Å²	92	57.8 Å²	57.8	40%	0.4	34%	0.34	S	S	.	.			trans	-128.7	77.2	-179.5	-51.2	-137.5	157.8	176.6	0	112.9	F248 G259 L263 D264 F283	F248-K261 WeakPolarHBondContact CE2-O 3.45Å; G259-K261 WeakPolarHBondContact O-CG 3.32Å; G259-K261 PolarHBondContact O-N 3.42Å; G259-K261 VanDerWaalsContact O-N 3.14Å; K261-L263 PolarHBondContact O-N 2.93Å; K261-D264 HydrophobicContact CB-CB 4.05Å; K261-D264 WeakPolarHBondContact CD-OD2 3.49Å; K261-D264 IonicContact NZ-OD2 3.8Å; K261-D264 PolarHBondContact O-N 3.09Å; K261-F283 HydrophobicContact CB-CE1 4.37Å; K261-F283 HydrophobicContact CB-CZ 3.62Å; K261-F283 HydrophobicContact CD-CE1 3.72Å; K261-F283 HydrophobicContact CD-CE2 4.04Å; K261-F283 HydrophobicContact CD-CZ 3.2Å; K261-F283 HydrophobicContact CG-CE1 3.54Å; K261-F283 HydrophobicContact CG-CE2 4.32Å; K261-F283 HydrophobicContact CG-CZ 3.17Å
262	P	47.7	Very low	53	Low	34 Å²	34	61 Å²	61	22%	0.221	36%	0.359	C	S	.	.	H	α-helix	trans	-60.8	-29.3	-176	-20.9	30.1	0	0	0	114.7	F248 W260	F248-P262 HydrophobicContact CE1-CB 4.5Å; F248-P262 HydrophobicContact CZ-CB 4.17Å; F248-P262 HydrophobicContact CZ-CG 4.13Å; W260-P262 HydrophobicContact CD2-CG 3.75Å; W260-P262 VanDerWaalsContact CE3-CD 3.48Å; W260-P262 HydrophobicContact CE3-CG 3.36Å; W260-P262 HydrophobicContact CH2-CB 4.44Å; W260-P262 HydrophobicContact CH2-CG 3.31Å; W260-P262 HydrophobicContact CZ2-CG 3.69Å; W260-P262 HydrophobicContact CZ3-CB 4.5Å; W260-P262 HydrophobicContact CZ3-CG 3.1Å
263	L	48.6	Very low	50.4	Low	48 Å²	48	65.2 Å²	65.2	25%	0.251	39%	0.391	S	S	.	.	H	α-helix	trans	-76.6	-38.1	-177.8	-90	135.3	0	0	0	113.2	T106 K261 V265 L266 L267 L281	T106-L263 HydrophobicContact CG2-CD2 3.42Å; T106-L263 VanDerWaalsContact CG2-CD2 3.42Å; K261-L263 PolarHBondContact O-N 2.93Å; L263-V265 PolarHBondContact O-N 2.87Å; L263-L266 PolarHBondContact O-N 3.28Å; L263-L266 VanDerWaalsContact O-N 3.11Å; L263-L267 WeakPolarHBondContact O-CB 3.48Å; L263-L267 VanDerWaalsContact O-CG 3.31Å; L263-L267 WeakPolarHBondContact O-CG 3.32Å; L263-L267 PolarHBondContact O-N 3.4Å; L263-L281 HydrophobicContact CD1-CD1 3.79Å; L263-L281 HydrophobicContact CD2-CD1 4.46Å
264	D	48.1	Very low	47.5	Very low	78 Å²	78	74.1 Å²	74.1	42%	0.417	43%	0.431	S	S	.	.	H	α-helix	trans	-61.1	-35.2	-175	-66.3	19.5	0	0	0	112	K261 S268	K261-D264 HydrophobicContact CB-CB 4.05Å; K261-D264 WeakPolarHBondContact CD-OD2 3.49Å; K261-D264 IonicContact NZ-OD2 3.8Å; K261-D264 PolarHBondContact O-N 3.09Å; D264-S268 PolarHBondContact O-N 2.72Å; D264-S268 VanDerWaalsContact O-N 3.14Å
265	V	41.3	Very low	44.8	Very low	30 Å²	30	81.8 Å²	81.8	18%	0.182	46%	0.464	C	S	.	.	H	α-helix	trans	-82.1	-32.3	178	-179.5	0	0	0	0	111.9	F248 L263 S268 F269	F248-V265 HydrophobicContact CB-CG1 4.36Å; F248-V265 HydrophobicContact CD2-CB 3.88Å; F248-V265 HydrophobicContact CD2-CG1 4.41Å; F248-V265 HydrophobicContact CD2-CG2 3.73Å; F248-V265 HydrophobicContact CE2-CG2 4.28Å; L263-V265 PolarHBondContact O-N 2.87Å; V265-S268 WeakPolarHBondContact CA-OG 3.43Å; V265-S268 PolarHBondContact O-N 2.82Å; V265-S268 PolarHBondContact O-OG 3.18Å; V265-F269 WeakPolarHBondContact O-CB 3.27Å; V265-F269 PolarHBondContact O-N 3.41Å
266	L	42	Very low	42.5	Very low	25 Å²	25	82.8 Å²	82.8	13%	0.131	49%	0.489	C	S	.	.	H	α-helix	trans	-66.2	-41.2	173.3	-153.2	91.2	0	0	0	111.1	G104 Q129 L263 S268 F269 L270	G104-L266 VanDerWaalsContact CA-CD2 3.4Å; Q129-L266 VanDerWaalsContact NE2-CD1 3.32Å; L263-L266 PolarHBondContact O-N 3.28Å; L263-L266 VanDerWaalsContact O-N 3.11Å; L266-S268 VanDerWaalsContact C-N 3.29Å; L266-S268 PolarHBondContact O-N 3.23Å; L266-F269 CarbonylContact O-C 3.21Å; L266-F269 WeakPolarHBondContact O-CA 3.43Å; L266-F269 WeakPolarHBondContact O-CB 3.43Å; L266-F269 PolarHBondContact O-N 2.69Å; L266-L270 HydrophobicContact CD2-CD1 3.75Å; L266-L270 HydrophobicContact CG-CD1 3.98Å; L266-L270 HydrophobicContact CG-CG 4.48Å; L266-L270 WeakPolarHBondContact O-CB 3.24Å; L266-L270 WeakPolarHBondContact O-CD1 3.43Å; L266-L270 WeakPolarHBondContact O-CG 3.41Å; L266-L270 PolarHBondContact O-N 3.41Å
267	L	39.5	Very low	41	Very low	75 Å²	75	82.5 Å²	82.5	39%	0.393	49%	0.485	S	S	.	.	H	α-helix	trans	-61.2	-39.5	172.9	-68.8	168.4	0	0	0	111	L263 F269 L270 G271 T272	L263-L267 WeakPolarHBondContact O-CB 3.48Å; L263-L267 VanDerWaalsContact O-CG 3.31Å; L263-L267 WeakPolarHBondContact O-CG 3.32Å; L263-L267 PolarHBondContact O-N 3.4Å; L267-F269 VanDerWaalsContact C-N 3.31Å; L267-F269 PolarHBondContact O-N 3.36Å; L267-L270 PolarHBondContact O-N 3.04Å; L267-G271 PolarHBondContact O-N 3.35Å; L267-T272 WeakPolarHBondContact CD2-OG1 3.49Å; L267-T272 PolarHBondContact O-N 2.77Å; L267-T272 PolarHBondContact O-OG1 3.27Å
268	S	42.2	Very low	39.6	Very low	68 Å²	68	81.8 Å²	81.8	48%	0.476	49%	0.49	S	S	.	.	H	α-helix	trans	-65.7	-31.9	172.3	82.3	0	0	0	0	113.4	D264 V265 L266	D264-S268 PolarHBondContact O-N 2.72Å; D264-S268 VanDerWaalsContact O-N 3.14Å; V265-S268 WeakPolarHBondContact CA-OG 3.43Å; V265-S268 PolarHBondContact O-N 2.82Å; V265-S268 PolarHBondContact O-OG 3.18Å; L266-S268 VanDerWaalsContact C-N 3.29Å; L266-S268 PolarHBondContact O-N 3.23Å
269	F	37.9	Very low	38.5	Very low	73 Å²	73	84.8 Å²	84.8	32%	0.32	50%	0.499	S	S	.	.	H	α-helix	trans	-79.5	-25.1	177.5	-159.3	-93.2	0	0	0	112.5	M181 L187 P230 V265 L266 L267	M181-F269 HydrophobicContact SD-CE2 4.26Å; M181-F269 HydrophobicContact SD-CZ 3.65Å; L187-F269 HydrophobicContact CD2-CD2 4.35Å; L187-F269 HydrophobicContact CD2-CE2 3.78Å; P230-F269 HydrophobicContact CG-CE1 4.27Å; V265-F269 WeakPolarHBondContact O-CB 3.27Å; V265-F269 PolarHBondContact O-N 3.41Å; L266-F269 CarbonylContact O-C 3.21Å; L266-F269 WeakPolarHBondContact O-CA 3.43Å; L266-F269 WeakPolarHBondContact O-CB 3.43Å; L266-F269 PolarHBondContact O-N 2.69Å; L267-F269 VanDerWaalsContact C-N 3.31Å; L267-F269 PolarHBondContact O-N 3.36Å
270	L	37.6	Very low	37.4	Very low	72 Å²	72	88.7 Å²	88.7	38%	0.377	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	0.1	178.1	-67.6	167	0	0	0	113.1	A103 L266 L267 T272	A103-L270 HydrophobicContact CB-CD2 4.15Å; A103-L270 WeakPolarHBondContact O-CD1 3.37Å; L266-L270 HydrophobicContact CD2-CD1 3.75Å; L266-L270 HydrophobicContact CG-CD1 3.98Å; L266-L270 HydrophobicContact CG-CG 4.48Å; L266-L270 WeakPolarHBondContact O-CB 3.24Å; L266-L270 WeakPolarHBondContact O-CD1 3.43Å; L266-L270 WeakPolarHBondContact O-CG 3.41Å; L266-L270 PolarHBondContact O-N 3.41Å; L267-L270 PolarHBondContact O-N 3.04Å; L270-T272 PolarHBondContact O-N 3.03Å
271	G	32.9	Very low	36.5	Very low	65 Å²	65	88.2 Å²	88.2	67%	0.67	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	17	176.1	0	0	0	0	0	114.5	L267 S273	L267-G271 PolarHBondContact O-N 3.35Å; G271-S273 PolarHBondContact O-N 2.92Å
272	T	32.6	Very low	35.5	Very low	80 Å²	80	86.5 Å²	86.5	49%	0.491	52%	0.521	S	S	.	.			trans	-79.5	102.1	174.4	53.7	0	0	0	0	108.7	L267 L270	L267-T272 WeakPolarHBondContact CD2-OG1 3.49Å; L267-T272 PolarHBondContact O-N 2.77Å; L267-T272 PolarHBondContact O-OG1 3.27Å; L270-T272 PolarHBondContact O-N 3.03Å
273	S	33.6	Very low	34.5	Very low	109 Å²	109	88.1 Å²	88.1	76%	0.762	53%	0.525	S	S	*	.			trans	-65.6	145.8	168.4	56.7	0	0	0	0	110.5	G271 E275	G271-S273 PolarHBondContact O-N 2.92Å; S273-E275 PolarHBondContact O-N 2.87Å; S273-E275 VanDerWaalsContact O-N 3.11Å
274	E	31.4	Very low	33.8	Very low	194 Å²	194	91.5 Å²	91.5	91%	0.907	54%	0.542	S	S	*	.			trans	-56.9	105.1	179.8	-61.5	177.1	155.1	0	0	112.5
275	E	32.4	Very low	33.3	Very low	186 Å²	186	91.4 Å²	91.4	87%	0.869	54%	0.538	S	S	*	.			trans	-139.1	104.3	151.1	-73.8	-170.1	174.6	0	0	109.7	S273	S273-E275 PolarHBondContact O-N 2.87Å; S273-E275 VanDerWaalsContact O-N 3.11Å
276	G	27.9	Very low	33	Very low	80 Å²	80	91.9 Å²	91.9	83%	0.825	54%	0.537	S	S	*	.	S	Bend		92.6	17.3	127.8	0	0	0	0	0	121.9
277	T	27.8	Very low	32.7	Very low	114 Å²	114	96.2 Å²	96.2	70%	0.699	56%	0.561	S	S	*	*			trans	-137.2	106.2	165.3	41.6	0	0	0	0	113.6	I279	T277-I279 VanDerWaalsContact C-N 3.31Å; T277-I279 PolarHBondContact O-N 3.49Å
278	T	25.1	Very low	32.5	Very low	158 Å²	158	99.7 Å²	99.7	97%	0.969	58%	0.575	S	S	*	*			trans	-66.3	86.6	164.3	-6.7	0	0	0	0	108.7
279	I	30.6	Very low	32.3	Very low	105 Å²	105	103.9 Å²	103.9	54%	0.538	58%	0.58	S	S	.	*			trans	-89.4	113.9	171	-51.7	178.6	0	0	0	107.3	T277 L281	T277-I279 VanDerWaalsContact C-N 3.31Å; T277-I279 PolarHBondContact O-N 3.49Å; I279-L281 VanDerWaalsContact C-N 3.27Å; I279-L281 HydrophobicContact CB-CD1 4.45Å; I279-L281 HydrophobicContact CB-CG 4.17Å; I279-L281 HydrophobicContact CG2-CD1 4.31Å; I279-L281 HydrophobicContact CG2-CD2 3.75Å; I279-L281 HydrophobicContact CG2-CG 3.69Å; I279-L281 PolarHBondContact O-N 3.38Å
280	S	25.9	Very low	32.3	Very low	119 Å²	119	106.1 Å²	106.1	83%	0.832	60%	0.6	S	S	*	*			trans	-65.4	84.8	169.9	56.9	0	0	0	0	109.8
281	L	29.1	Very low	32.5	Very low	47 Å²	47	110 Å²	110	25%	0.246	61%	0.61	C	S	.	*			trans	-91	159.7	174.7	-68	174.5	0	0	0	109.8	T106 L263 I279 F283	T106-L281 HydrophobicContact CG2-CD1 4.21Å; L263-L281 HydrophobicContact CD1-CD1 3.79Å; L263-L281 HydrophobicContact CD2-CD1 4.46Å; I279-L281 VanDerWaalsContact C-N 3.27Å; I279-L281 HydrophobicContact CB-CD1 4.45Å; I279-L281 HydrophobicContact CB-CG 4.17Å; I279-L281 HydrophobicContact CG2-CD1 4.31Å; I279-L281 HydrophobicContact CG2-CD2 3.75Å; I279-L281 HydrophobicContact CG2-CG 3.69Å; I279-L281 PolarHBondContact O-N 3.38Å; L281-F283 PolarHBondContact O-N 3.37Å
282	P	30.6	Very low	32.7	Very low	56 Å²	56	114.2 Å²	114.2	36%	0.364	61%	0.61	S	S	.	*	S	Bend	trans	-76.6	70.6	-158	31.7	-26.9	0	0	0	111.5	C109 L284	C109-P282 HydrophobicContact CB-CB 3.91Å; C109-P282 HydrophobicContact CB-CG 3.96Å; C109-P282 VanDerWaalsContact SG-CB 3.57Å; C109-P282 WeakPolarHBondContact SG-CD 3.38Å; C109-P282 WeakPolarHBondContact SG-CG 3.24Å; P282-L284 VanDerWaalsContact C-N 3.34Å
283	F	27.7	Very low	32.8	Very low	68 Å²	68	113.8 Å²	113.8	30%	0.298	62%	0.622	S	S	.	*			trans	-74.8	-23.6	179.1	-112.4	-84.6	0	0	0	113.1	W260 K261 L281 F285	W260-F283 WeakPolarHBondContact O-CE1 3.25Å; W260-F283 WeakPolarHBondContact O-CZ 3.34Å; K261-F283 HydrophobicContact CB-CE1 4.37Å; K261-F283 HydrophobicContact CB-CZ 3.62Å; K261-F283 HydrophobicContact CD-CE1 3.72Å; K261-F283 HydrophobicContact CD-CE2 4.04Å; K261-F283 HydrophobicContact CD-CZ 3.2Å; K261-F283 HydrophobicContact CG-CE1 3.54Å; K261-F283 HydrophobicContact CG-CE2 4.32Å; K261-F283 HydrophobicContact CG-CZ 3.17Å; L281-F283 PolarHBondContact O-N 3.37Å; F283-F285 VanDerWaalsContact C-N 3.34Å; F283-F285 PolarHBondContact O-N 3.35Å
284	L	33.8	Very low	33	Very low	119 Å²	119	116.3 Å²	116.3	62%	0.623	63%	0.626	S	S	*	*	H	α-helix	trans	-70	-29.5	-178	-73.8	162.8	0	0	0	112.6	P282 Y286 N287 E288	P282-L284 VanDerWaalsContact C-N 3.34Å; L284-Y286 VanDerWaalsContact C-N 3.26Å; L284-Y286 PolarHBondContact O-N 2.91Å; L284-N287 PolarHBondContact O-N 3.4Å; L284-E288 WeakPolarHBondContact O-CG 3.46Å; L284-E288 PolarHBondContact O-N 3Å
285	F	37.4	Very low	33.2	Very low	76 Å²	76	114.1 Å²	114.1	33%	0.333	62%	0.615	S	S	.	*	H	α-helix	trans	-63.5	-28.4	-176	-174.3	-98.8	0	0	0	114	T132 F283	T132-F285 HydrophobicContact CG2-CB 4.45Å; T132-F285 HydrophobicContact CG2-CD1 4.45Å; T132-F285 HydrophobicContact CG2-CD2 4.39Å; T132-F285 HydrophobicContact CG2-CG 4.18Å; F283-F285 VanDerWaalsContact C-N 3.34Å; F283-F285 PolarHBondContact O-N 3.35Å
286	Y	35	Very low	33.5	Very low	41 Å²	41	112.4 Å²	112.4	16%	0.161	61%	0.612	C	S	.	*	H	α-helix	trans	-100.1	-28	-179.9	-74.4	-83.7	0	0	0	113.7	P131 L156 M160 W260 L284	P131-Y286 HydrophobicContact CG-CE2 4.23Å; P131-Y286 WeakPolarHBondContact CG-OH 3.49Å; L156-Y286 WeakPolarHBondContact CD1-OH 3.39Å; M160-Y286 HydrophobicContact CE-CD1 3.68Å; M160-Y286 HydrophobicContact CE-CE1 3.42Å; M160-Y286 VanDerWaalsContact CE-CE1 3.42Å; W260-Y286 HydrophobicContact CD2-CD1 4.16Å; W260-Y286 HydrophobicContact CD2-CD2 4.44Å; W260-Y286 HydrophobicContact CD2-CE1 4.28Å; W260-Y286 HydrophobicContact CD2-CG 4.23Å; W260-Y286 AromaticContact CE3-CD1 3.82Å; W260-Y286 HydrophobicContact CE3-CD1 3.82Å; W260-Y286 AromaticContact CE3-CD2 3.38Å; W260-Y286 HydrophobicContact CE3-CD2 3.38Å; W260-Y286 AromaticContact CE3-CE1 3.89Å; W260-Y286 HydrophobicContact CE3-CE1 3.89Å; W260-Y286 AromaticContact CE3-CE2 3.48Å; W260-Y286 HydrophobicContact CE3-CE2 3.48Å; W260-Y286 VanDerWaalsContact CE3-CE2 3.48Å; W260-Y286 AromaticContact CE3-CG 3.56Å; W260-Y286 HydrophobicContact CE3-CG 3.56Å; W260-Y286 AromaticContact CE3-CZ 3.7Å; W260-Y286 HydrophobicContact CH2-CE1 4.05Å; W260-Y286 AromaticContact CH2-CE2 3.84Å; W260-Y286 HydrophobicContact CH2-CE2 3.84Å; W260-Y286 AromaticContact CH2-CZ 3.5Å; W260-Y286 VanDerWaalsContact CH2-CZ 3.5Å; W260-Y286 WeakPolarHBondContact CH2-OH 3.46Å; W260-Y286 HydrophobicContact CZ2-CE1 4.43Å; W260-Y286 HydrophobicContact CZ3-CD1 4.17Å; W260-Y286 AromaticContact CZ3-CD2 3.48Å; W260-Y286 HydrophobicContact CZ3-CD2 3.48Å; W260-Y286 VanDerWaalsContact CZ3-CD2 3.48Å; W260-Y286 AromaticContact CZ3-CE1 3.78Å; W260-Y286 HydrophobicContact CZ3-CE1 3.78Å; W260-Y286 AromaticContact CZ3-CE2 3.01Å; W260-Y286 HydrophobicContact CZ3-CE2 3.01Å; W260-Y286 HydrophobicContact CZ3-CG 4.03Å; W260-Y286 AromaticContact CZ3-CZ 3.15Å; W260-Y286 WeakPolarHBondContact CZ3-OH 3.49Å; L284-Y286 VanDerWaalsContact C-N 3.26Å; L284-Y286 PolarHBondContact O-N 2.91Å
287	N	36.7	Very low	34.1	Very low	116 Å²	116	117.8 Å²	117.8	62%	0.62	61%	0.613	S	S	*	*	H	α-helix	trans	-76.2	-22.8	177.9	-92.3	0.6	0	0	0	113.5	L284	L284-N287 PolarHBondContact O-N 3.4Å
288	E	35.5	Very low	34.6	Very low	148 Å²	148	118.4 Å²	118.4	69%	0.692	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-3.2	-179.8	-68.5	-179.2	177.8	0	0	114.1	L284 T290	L284-E288 WeakPolarHBondContact O-CG 3.46Å; L284-E288 PolarHBondContact O-N 3Å; E288-T290 PolarHBondContact O-N 3.37Å
289	R	36.1	Very low	35.3	Very low	155 Å²	155	114.3 Å²	114.3	59%	0.585	59%	0.591	S	S	*	*			trans	-90.2	103.9	173.8	-70.5	-159.1	-161.4	-134.9	3.6	111.2	W291	R289-W291 PolarHBondContact O-N 2.97Å
290	T	38.5	Very low	36	Very low	120 Å²	120	117.7 Å²	117.7	74%	0.736	61%	0.61	S	S	*	*			trans	-64.1	117.2	156.4	49.2	0	0	0	0	108.9	E288 K292	E288-T290 PolarHBondContact O-N 3.37Å; T290-K292 VanDerWaalsContact C-N 3.29Å; T290-K292 PolarHBondContact O-N 3.45Å
291	W	41.3	Very low	36.8	Very low	153 Å²	153	119 Å²	119	58%	0.58	60%	0.603	S	S	*	*	S	Bend	trans	-64	88	169.5	-89.2	80.7	0	0	0	110.2	M160 R289	M160-W291 HydrophobicContact CB-CH2 3.54Å; M160-W291 HydrophobicContact CB-CZ2 3.48Å; M160-W291 VanDerWaalsContact CB-CZ2 3.48Å; M160-W291 HydrophobicContact CE-CZ2 4.43Å; M160-W291 HydrophobicContact CG-CH2 4.34Å; M160-W291 HydrophobicContact CG-CZ2 3.82Å; M160-W291 HydrophobicContact SD-CH2 4.17Å; M160-W291 HydrophobicContact SD-CZ2 3.5Å; M160-W291 VanDerWaalsContact SD-CZ2 3.5Å; R289-W291 PolarHBondContact O-N 2.97Å
292	K	36.9	Very low	37.5	Very low	154 Å²	154	124.4 Å²	124.4	67%	0.67	63%	0.627	S	S	*	*			trans	-118.5	-2.1	167	-73.8	-168	173.7	-172	0	113.4	T290 L294 E295	T290-K292 VanDerWaalsContact C-N 3.29Å; T290-K292 PolarHBondContact O-N 3.45Å; K292-L294 PolarHBondContact O-N 2.91Å; K292-E295 PolarHBondContact O-N 3.25Å
293	G	35.9	Very low	38.5	Very low	72 Å²	72	128.7 Å²	128.7	74%	0.742	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	32.2	-169	0	0	0	0	0	116.7	E295	G293-E295 VanDerWaalsContact C-N 3.29Å
294	L	37.7	Very low	39.8	Very low	162 Å²	162	132.5 Å²	132.5	85%	0.848	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-0.1	155.3	-141	111.8	0	0	0	111.3	K292 D296	K292-L294 PolarHBondContact O-N 2.91Å; L294-D296 PolarHBondContact O-N 3.24Å
295	E	35.8	Very low	41.1	Very low	148 Å²	148	132.1 Å²	132.1	69%	0.692	68%	0.678	S	S	*	*	S	Bend	trans	-67.6	121.6	155.4	-68.7	172.9	-172.1	0	0	106.5	K292 G293 K297	K292-E295 PolarHBondContact O-N 3.25Å; G293-E295 VanDerWaalsContact C-N 3.29Å; E295-K297 PolarHBondContact O-N 2.95Å
296	D	39.2	Very low	42	Very low	150 Å²	150	135.5 Å²	135.5	80%	0.802	70%	0.704	S	S	*	*			trans	-38.4	139.6	167.1	-79.7	-42.1	0	0	0	108.6	L294 V298	L294-D296 PolarHBondContact O-N 3.24Å; D296-V298 PolarHBondContact O-N 3.11Å
297	K	40.6	Very low	43.4	Very low	192 Å²	192	138.5 Å²	138.5	84%	0.835	73%	0.731	S	S	*	*			trans	-50.9	102.4	167.6	-72.1	-179.9	176.9	-178	0	106.8	E295 T299	E295-K297 PolarHBondContact O-N 2.95Å; K297-T299 PolarHBondContact O-N 2.78Å
298	V	37.1	Very low	44.8	Very low	127 Å²	127	140.9 Å²	140.9	77%	0.77	74%	0.736	S	S	*	*			trans	-59.3	87.1	148.4	-179.1	0	0	0	0	102.2	D296	D296-V298 PolarHBondContact O-N 3.11Å
299	T	39	Very low	46	Very low	72 Å²	72	136.6 Å²	136.6	44%	0.442	73%	0.731	S	S	.	*			trans	-50	138.5	154.8	33.9	0	0	0	0	105.4	K297 Q301	K297-T299 PolarHBondContact O-N 2.78Å; T299-Q301 PolarHBondContact O-N 3.32Å; T299-Q301 PolarHBondContact OG1-OE1 2.92Å
300	D	46.2	Very low	46.7	Very low	177 Å²	177	141.3 Å²	141.3	95%	0.947	75%	0.749	S	S	*	*	S	Bend	trans	-64.5	39.2	168.4	-69.4	-47	0	0	0	111.4
301	Q	42.7	Very low	47.1	Very low	147 Å²	147	141.8 Å²	141.8	69%	0.687	75%	0.747	S	S	*	*			trans	-87.6	130.7	170.7	-76.4	175.3	-30.1	0	0	107.5	T299 V303	T299-Q301 PolarHBondContact O-N 3.32Å; T299-Q301 PolarHBondContact OG1-OE1 2.92Å; Q301-V303 PolarHBondContact O-N 3.39Å
302	E	44.1	Very low	47.4	Very low	160 Å²	160	137.5 Å²	137.5	75%	0.748	75%	0.751	S	S	*	*			trans	-50.3	131.6	173.7	-72.9	-177.7	152.9	0	0	110.4	H304	E302-H304 PolarHBondContact O-CD2 3.44Å; E302-H304 PolarHBondContact O-N 3.09Å
303	V	50.8	Low	47.7	Very low	146 Å²	146	141.9 Å²	141.9	89%	0.885	76%	0.763	S	S	*	*			trans	-63.1	101.3	175	179.4	0	0	0	0	108.2	Q301	Q301-V303 PolarHBondContact O-N 3.39Å
304	H	56	Low	48.2	Very low	147 Å²	147	143.5 Å²	143.5	68%	0.681	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-82.5	139.2	170.8	-65.8	-58.6	0	0	0	110.1	E302 V306	E302-H304 PolarHBondContact O-CD2 3.44Å; E302-H304 PolarHBondContact O-N 3.09Å; H304-V306 PolarHBondContact O-N 3.08Å
305	S	60.4	Low	48.7	Very low	111 Å²	111	144.3 Å²	144.3	78%	0.776	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-56.8	132.1	168.2	54.5	0	0	0	0	109.8	S307	S305-S307 PolarHBondContact O-N 2.94Å; S305-S307 VanDerWaalsContact O-N 3.09Å
306	V	55.9	Low	49.5	Very low	148 Å²	148	140 Å²	140	90%	0.897	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-50.1	116.4	178.4	-179.8	0	0	0	0	110	H304	H304-V306 PolarHBondContact O-N 3.08Å
307	S	65.1	Low	50.3	Low	104 Å²	104	142.6 Å²	142.6	73%	0.727	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-94.9	143.1	169.1	60.7	0	0	0	0	109.5	S305 G309	S305-S307 PolarHBondContact O-N 2.94Å; S305-S307 VanDerWaalsContact O-N 3.09Å; S307-G309 PolarHBondContact O-N 3.2Å; S307-G309 VanDerWaalsContact O-N 3.08Å
308	K	65	Low	51.1	Low	166 Å²	166	140.3 Å²	140.3	72%	0.722	77%	0.769	S	S	*	*			trans	-62.1	112.5	179.3	-170.7	-179.8	175.1	-165.7	0	109.3	D311	K308-D311 WeakPolarHBondContact CE-OD1 3.23Å; K308-D311 VanDerWaalsContact CE-OD2 3.23Å; K308-D311 WeakPolarHBondContact CE-OD2 3.04Å; K308-D311 IonicContact NZ-OD1 3.55Å; K308-D311 PolarHBondContact NZ-OD1 3.42Å; K308-D311 IonicContact NZ-OD2 3.3Å; K308-D311 PolarHBondContact NZ-OD2 3.43Å
309	G	62.4	Low	52.2	Low	57 Å²	57	141.4 Å²	141.4	59%	0.588	77%	0.77	S	S	*	*			trans	-64.1	163.2	170.8	0	0	0	0	0	111.6	S307 D311	S307-G309 PolarHBondContact O-N 3.2Å; S307-G309 VanDerWaalsContact O-N 3.08Å; G309-D311 PolarHBondContact O-N 3.42Å
310	R	50.4	Low	52.8	Low	254 Å²	254	145.4 Å²	145.4	96%	0.958	78%	0.784	S	S	*	*			trans	-56.2	127.2	179.7	-75.2	-177.1	-176.9	173.4	1.3	110.6	G312	R310-G312 VanDerWaalsContact C-N 3.34Å; R310-G312 PolarHBondContact O-N 3.47Å
311	D	46.8	Very low	53.6	Low	131 Å²	131	142.8 Å²	142.8	70%	0.701	78%	0.777	S	S	*	*			trans	-66.9	93.3	167.7	-63.7	-27.6	0	0	0	107.9	K308 G309	K308-D311 WeakPolarHBondContact CE-OD1 3.23Å; K308-D311 VanDerWaalsContact CE-OD2 3.23Å; K308-D311 WeakPolarHBondContact CE-OD2 3.04Å; K308-D311 IonicContact NZ-OD1 3.55Å; K308-D311 PolarHBondContact NZ-OD1 3.42Å; K308-D311 IonicContact NZ-OD2 3.3Å; K308-D311 PolarHBondContact NZ-OD2 3.43Å; G309-D311 PolarHBondContact O-N 3.42Å
312	G	48.4	Very low	54.5	Low	63 Å²	63	147.4 Å²	147.4	65%	0.649	81%	0.806	S	S	*	*			trans	-130.6	118.9	-178.5	0	0	0	0	0	110.3	R310 A314	R310-G312 VanDerWaalsContact C-N 3.34Å; R310-G312 PolarHBondContact O-N 3.47Å; G312-A314 PolarHBondContact O-N 3.03Å
313	W	41.3	Very low	55	Low	246 Å²	246	146.8 Å²	146.8	93%	0.932	81%	0.809	S	S	*	*			trans	-60.1	130.2	173.2	-67.8	59	0	0	0	108.6	M315	W313-M315 PolarHBondContact O-N 2.71Å
314	A	47.5	Very low	55.2	Low	106 Å²	106	146.8 Å²	146.8	88%	0.876	81%	0.805	S	S	*	*			trans	-63.9	99.9	170.7	0	0	0	0	0	107.9	G312 G316	G312-A314 PolarHBondContact O-N 3.03Å; A314-G316 PolarHBondContact O-N 2.89Å
315	M	47.5	Very low	55.1	Low	178 Å²	178	146.8 Å²	146.8	88%	0.877	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.3	127.1	169.7	-63.6	-146.3	-50.1	0	0	107.7	W313	W313-M315 PolarHBondContact O-N 2.71Å
316	G	53.3	Low	54.8	Low	59 Å²	59	148.9 Å²	148.9	61%	0.608	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-52.2	152.6	177.9	0	0	0	0	0	112.2	A314	A314-G316 PolarHBondContact O-N 2.89Å
317	Y	56.9	Low	54.8	Low	203 Å²	203	149 Å²	149	80%	0.796	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-64.7	139.1	176.7	-66.3	-82.8	0	0	0	109.6	N319 E320	Y317-N319 PolarHBondContact O-N 3.46Å; Y317-E320 PolarHBondContact O-N 3.27Å
318	V	57.2	Low	54.1	Low	145 Å²	145	152 Å²	152	88%	0.879	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-0.1	-174.3	-176.3	0	0	0	0	114.2
319	N	60.2	Low	53.3	Low	150 Å²	150	151 Å²	151	80%	0.802	82%	0.821	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.4	15.2	-169.4	-64	-15.4	0	0	0	115	Y317	Y317-N319 PolarHBondContact O-N 3.46Å
320	E	50.8	Low	52.6	Low	156 Å²	156	158.2 Å²	158.2	73%	0.729	84%	0.839	S	S	*	*			trans	-89	120.5	167.9	-84.8	178.3	158.4	0	0	109.9	Y317	Y317-E320 PolarHBondContact O-N 3.27Å
321	P	62.5	Low	52.8	Low	122 Å²	122	150.3 Å²	150.3	79%	0.792	83%	0.829	S	S	*	*			trans	-71.7	141.5	167.6	28.7	-26.8	0	0	0	109.6
322	D	61	Low	53.3	Low	244 Å²	244	152 Å²	152	100%	1.305	84%	0.84	S	S	*	*			trans	-47.7	0	-179.7	-67.2	-37.3	0	0	0	114.7

Retrieved 322 of 322 residues in 173.2 ms (Link to these results)

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