A0A3Q0KG59_SCHMA Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KG59, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 224 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.9	Low	51.9	Low	199 Å²	199	133 Å²	133	98%	0.98	63%	0.63	S	S	*	*				0	-39.2	0	-148.2	159.8	73.6	0	0	113.1	C3 L4	M1-C3 PolarHBondContact O-N 3.21Å; M1-L4 PolarHBondContact O-N 3.03Å
2	I	53.5	Low	51.7	Low	138 Å²	138	129.5 Å²	129.5	71%	0.708	62%	0.624	S	S	*	*	H	α-helix	trans	-61.3	-39.5	-177.2	-64	163.7	0	0	0	113.8	L4 L5 F6	I2-L4 VanDerWaalsContact C-N 3.35Å; I2-L4 PolarHBondContact O-N 3.25Å; I2-L5 PolarHBondContact O-N 3.14Å; I2-F6 PolarHBondContact O-N 2.87Å; I2-F6 VanDerWaalsContact O-N 3.09Å
3	C	52.1	Low	51.6	Low	99 Å²	99	124.2 Å²	124.2	67%	0.669	62%	0.615	S	S	*	*	H	α-helix	trans	-66	-30	-177.9	-61.1	0	0	0	0	114.8	M1 R7	M1-C3 PolarHBondContact O-N 3.21Å; C3-R7 WeakPolarHBondContact O-CG 3.31Å; C3-R7 PolarHBondContact O-N 3.24Å
4	L	53.9	Low	51.5	Low	129 Å²	129	123.6 Å²	123.6	68%	0.675	61%	0.614	S	S	*	*	H	α-helix	trans	-75.1	-38	179.2	-76.6	164.2	0	0	0	111.6	M1 I2 R8	M1-L4 PolarHBondContact O-N 3.03Å; I2-L4 VanDerWaalsContact C-N 3.35Å; I2-L4 PolarHBondContact O-N 3.25Å; L4-R8 PolarHBondContact O-N 2.69Å
5	L	52.8	Low	51.4	Low	91 Å²	91	124.3 Å²	124.3	48%	0.476	61%	0.612	S	S	.	*	H	α-helix	trans	-65.9	-45.9	174.9	-73	163.3	0	0	0	110.7	I2 R7 R8 H9	I2-L5 PolarHBondContact O-N 3.14Å; L5-R7 VanDerWaalsContact C-N 3.32Å; L5-R7 PolarHBondContact O-N 2.62Å; L5-R8 PolarHBondContact O-N 3.07Å; L5-H9 PolarHBondContact O-CD2 3.01Å; L5-H9 PolarHBondContact O-N 3.24Å
6	F	49.7	Very low	51.1	Low	141 Å²	141	128.8 Å²	128.8	62%	0.618	62%	0.621	S	S	*	*	H	α-helix	trans	-60.4	-40.8	178.4	-139.7	-94.7	0	0	0	112.3	I2 H9 L10	I2-F6 PolarHBondContact O-N 2.87Å; I2-F6 VanDerWaalsContact O-N 3.09Å; F6-H9 PolarHBondContact O-N 3.04Å; F6-L10 HydrophobicContact CD1-CD1 3.9Å; F6-L10 HydrophobicContact CE1-CD1 4.38Å; F6-L10 PolarHBondContact O-N 2.83Å
7	R	53.4	Low	51.4	Low	175 Å²	175	123.9 Å²	123.9	66%	0.66	60%	0.598	S	S	*	*	H	α-helix	trans	-68.8	-35.9	175.9	-76.8	-177.4	178.4	-172.9	1.1	113.5	C3 L5 L10 K11	C3-R7 WeakPolarHBondContact O-CG 3.31Å; C3-R7 PolarHBondContact O-N 3.24Å; L5-R7 VanDerWaalsContact C-N 3.32Å; L5-R7 PolarHBondContact O-N 2.62Å; R7-L10 PolarHBondContact O-N 3.13Å; R7-K11 PolarHBondContact O-N 2.61Å; R7-K11 VanDerWaalsContact O-N 3.13Å
8	R	50.5	Low	51.8	Low	193 Å²	193	124 Å²	124	73%	0.728	61%	0.613	S	S	*	*	H	α-helix	trans	-62.7	-45	172.1	-83.1	-177.2	165.4	-176.6	-4.1	110.8	L4 L5 L10 K11 T12	L4-R8 PolarHBondContact O-N 2.69Å; L5-R8 PolarHBondContact O-N 3.07Å; R8-L10 PolarHBondContact O-N 3.4Å; R8-K11 PolarHBondContact O-N 3.15Å; R8-T12 PolarHBondContact O-N 3.1Å; R8-T12 VanDerWaalsContact O-N 3.16Å; R8-T12 PolarHBondContact O-OG1 2.91Å; R8-T12 VanDerWaalsContact O-OG1 3.05Å
9	H	48.5	Very low	52.6	Low	128 Å²	128	121.1 Å²	121.1	59%	0.593	60%	0.603	S	S	*	*	H	α-helix	trans	-65	-36.6	176.7	-72.1	-64.2	0	0	0	113.1	L5 F6 T12 A13	L5-H9 PolarHBondContact O-CD2 3.01Å; L5-H9 PolarHBondContact O-N 3.24Å; F6-H9 PolarHBondContact O-N 3.04Å; H9-T12 PolarHBondContact O-N 2.79Å; H9-A13 WeakPolarHBondContact O-CB 3.44Å; H9-A13 PolarHBondContact O-N 3.1Å
10	L	49.4	Very low	53.8	Low	90 Å²	90	122.5 Å²	122.5	47%	0.471	61%	0.605	S	S	.	*	H	α-helix	trans	-63.4	-39.5	173.5	-92.5	149.7	0	0	0	113.2	F6 R7 R8 T12 A13 L14	F6-L10 HydrophobicContact CD1-CD1 3.9Å; F6-L10 HydrophobicContact CE1-CD1 4.38Å; F6-L10 PolarHBondContact O-N 2.83Å; R7-L10 PolarHBondContact O-N 3.13Å; R8-L10 PolarHBondContact O-N 3.4Å; L10-T12 VanDerWaalsContact C-N 3.33Å; L10-A13 PolarHBondContact O-N 2.86Å; L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 WeakPolarHBondContact O-CG 3.41Å; L10-L14 PolarHBondContact O-N 2.58Å
11	K	51.7	Low	55.2	Low	80 Å²	80	118.5 Å²	118.5	35%	0.348	58%	0.583	S	S	.	*	H	α-helix	trans	-64	-38.9	173	-85.5	-166.2	171.7	-165.3	0	111.8	R7 R8 K15 P68	R7-K11 PolarHBondContact O-N 2.61Å; R7-K11 VanDerWaalsContact O-N 3.13Å; R8-K11 PolarHBondContact O-N 3.15Å; K11-K15 PolarHBondContact O-N 3.35Å; K11-P68 PolarHBondContact NZ-O 2.9Å
12	T	49.9	Very low	56.7	Low	91 Å²	91	114.9 Å²	114.9	56%	0.558	57%	0.568	S	S	*	*	H	α-helix	trans	-68.4	-38.2	175.5	-44.7	0	0	0	0	111.6	R8 H9 L10 K15	R8-T12 PolarHBondContact O-N 3.1Å; R8-T12 VanDerWaalsContact O-N 3.16Å; R8-T12 PolarHBondContact O-OG1 2.91Å; R8-T12 VanDerWaalsContact O-OG1 3.05Å; H9-T12 PolarHBondContact O-N 2.79Å; L10-T12 VanDerWaalsContact C-N 3.33Å; T12-K15 WeakPolarHBondContact O-CB 3.21Å; T12-K15 PolarHBondContact O-N 3.3Å
13	A	50.4	Low	58.2	Low	61 Å²	61	112.4 Å²	112.4	50%	0.504	56%	0.556	S	S	.	*	H	α-helix	trans	-71.7	-34.5	177.8	0	0	0	0	0	113	H9 L10 K15 Y16	H9-A13 WeakPolarHBondContact O-CB 3.44Å; H9-A13 PolarHBondContact O-N 3.1Å; L10-A13 PolarHBondContact O-N 2.86Å; A13-K15 VanDerWaalsContact C-N 3.26Å; A13-K15 PolarHBondContact O-N 3.18Å; A13-Y16 WeakPolarHBondContact O-CB 3.31Å; A13-Y16 PolarHBondContact O-N 3.34Å; A13-Y16 VanDerWaalsContact O-N 3.14Å
14	L	49.9	Very low	59.8	Low	115 Å²	115	113.1 Å²	113.1	60%	0.602	56%	0.556	S	S	*	*	H	α-helix	trans	-71.6	-19.6	173.8	-76.7	163.8	0	0	0	113.1	L10 Y16	L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 WeakPolarHBondContact O-CG 3.41Å; L10-L14 PolarHBondContact O-N 2.58Å; L14-Y16 PolarHBondContact O-N 2.99Å
15	K	50.8	Low	61.5	Low	134 Å²	134	112.4 Å²	112.4	58%	0.583	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-10	169.5	-85.1	-173.1	175.6	-175.1	0	113.3	K11 T12 A13 Q17	K11-K15 PolarHBondContact O-N 3.35Å; T12-K15 WeakPolarHBondContact O-CB 3.21Å; T12-K15 PolarHBondContact O-N 3.3Å; A13-K15 VanDerWaalsContact C-N 3.26Å; A13-K15 PolarHBondContact O-N 3.18Å; K15-Q17 PolarHBondContact O-N 3.25Å
16	Y	45.7	Very low	63.4	Low	196 Å²	196	110 Å²	110	77%	0.769	55%	0.547	S	S	*	.			trans	-76.7	73	171.1	-112.5	-92.5	0	0	0	109.8	A13 L14	A13-Y16 WeakPolarHBondContact O-CB 3.31Å; A13-Y16 PolarHBondContact O-N 3.34Å; A13-Y16 VanDerWaalsContact O-N 3.14Å; L14-Y16 PolarHBondContact O-N 2.99Å
17	Q	56.6	Low	65.5	Low	47 Å²	47	105.9 Å²	105.9	22%	0.22	54%	0.536	C	S	.	.			trans	-89.4	145.1	166.3	-74.3	-174.5	-49.3	0	0	109.8	K15 V19 H91 R188	K15-Q17 PolarHBondContact O-N 3.25Å; Q17-V19 PolarHBondContact O-N 2.97Å; Q17-H91 PolarHBondContact OE1-NE2 3.43Å; Q17-R188 VanDerWaalsContact NE2-CA 3.33Å; Q17-R188 PolarHBondContact NE2-O 2.8Å
18	S	59.3	Low	67.5	Low	125 Å²	125	103 Å²	103	87%	0.874	54%	0.539	S	S	*	.	S	Bend	trans	-64.6	-17.7	-177.4	48.5	0	0	0	0	114.3	K20	S18-K20 PolarHBondContact O-N 3.21Å
19	V	66.3	Low	69.6	Low	69 Å²	69	100.1 Å²	100.1	42%	0.418	54%	0.538	S	S	.	.			trans	-85	113.8	-179.4	-167.4	0	0	0	0	108.3	Q17 L193	Q17-V19 PolarHBondContact O-N 2.97Å; V19-L193 HydrophobicContact CB-CD2 3.71Å; V19-L193 HydrophobicContact CG1-CD2 3.47Å; V19-L193 VanDerWaalsContact CG1-CD2 3.47Å; V19-L193 HydrophobicContact CG1-CG 4.27Å; V19-L193 VanDerWaalsContact O-CD2 3.24Å; V19-L193 WeakPolarHBondContact O-CD2 3.24Å
20	K	75.8	Confident	71.7	Confident	149 Å²	149	95.9 Å²	95.9	65%	0.648	52%	0.523	S	S	*	.			trans	-118.2	148.1	167.8	-66.2	-176.3	-179.3	178.4	0	108.2	S18	S18-K20 PolarHBondContact O-N 3.21Å
21	Y	84.9	Confident	73.9	Confident	38 Å²	38	97.2 Å²	97.2	15%	0.149	53%	0.525	C	S	.	.			trans	-104.3	109.1	168.7	178.8	-93.3	0	0	0	107.6	I23 V98 W102 L196 P197 D200	Y21-I23 HydrophobicContact CD1-CG1 4.31Å; Y21-I23 HydrophobicContact CE1-CG1 4.2Å; Y21-V98 HydrophobicContact CE1-CG1 4.5Å; Y21-W102 AromaticContact CE1-CH2 3.74Å; Y21-W102 HydrophobicContact CE1-CH2 3.74Å; Y21-W102 HydrophobicContact CE1-CZ2 4.13Å; Y21-W102 AromaticContact CZ-CH2 3.92Å; Y21-L196 HydrophobicContact CD1-CB 3.94Å; Y21-L196 HydrophobicContact CD1-CD1 3.58Å; Y21-L196 HydrophobicContact CD1-CG 4.37Å; Y21-L196 HydrophobicContact CD2-CB 3.56Å; Y21-L196 HydrophobicContact CD2-CD1 4.26Å; Y21-L196 HydrophobicContact CE1-CB 4.03Å; Y21-L196 HydrophobicContact CE1-CD1 4.33Å; Y21-L196 HydrophobicContact CE2-CB 3.68Å; Y21-L196 HydrophobicContact CG-CB 3.7Å; Y21-L196 HydrophobicContact CG-CD1 3.53Å; Y21-L196 HydrophobicContact CG-CG 4.28Å; Y21-P197 HydrophobicContact CD2-CG 4.11Å; Y21-P197 HydrophobicContact CE2-CB 4.42Å; Y21-P197 HydrophobicContact CE2-CG 3.86Å; Y21-D200 VanDerWaalsContact OH-CB 3.3Å; Y21-D200 WeakPolarHBondContact OH-CB 3.45Å; Y21-D200 PolarHBondContact OH-OD2 3.16Å
22	D	85.9	Confident	75.9	Confident	124 Å²	124	101.2 Å²	101.2	66%	0.663	54%	0.539	S	S	*	.			trans	-85.9	121.9	179.3	-64.5	-41.5	0	0	0	109.7	V24	D22-V24 PolarHBondContact O-N 3.15Å
23	I	84.1	Confident	77.9	Confident	86 Å²	86	103.2 Å²	103.2	44%	0.441	54%	0.536	S	S	.	.			trans	-77	106.4	177.7	-56.5	174.8	0	0	0	108.1	Y21 V98	Y21-I23 HydrophobicContact CD1-CG1 4.31Å; Y21-I23 HydrophobicContact CE1-CG1 4.2Å; I23-V98 HydrophobicContact CD1-CG2 4.1Å
24	V	86.7	Confident	80	Confident	113 Å²	113	102 Å²	102	69%	0.685	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-79.9	128.3	175.1	-176.8	0	0	0	0	109.4	D22 L26	D22-V24 PolarHBondContact O-N 3.15Å; V24-L26 PolarHBondContact O-N 2.9Å
25	P	89.9	Confident	81.9	Confident	114 Å²	114	101.8 Å²	101.8	74%	0.74	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-58.2	134.4	175.5	-24	33.5	0	0	0	111.7
26	L	90.9	Very high	83.9	Confident	40 Å²	40	99.7 Å²	99.7	21%	0.209	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-67.2	139.7	175.9	-65.6	-177.2	0	0	0	111.6	V24 K31 L34 F204	V24-L26 PolarHBondContact O-N 2.9Å; L26-K31 HydrophobicContact CB-CG 3.63Å; L26-K31 HydrophobicContact CD1-CG 4.32Å; L26-K31 VanDerWaalsContact O-CE 3.29Å; L26-K31 WeakPolarHBondContact O-CE 3.19Å; L26-L34 HydrophobicContact CD1-CD1 3.4Å; L26-L34 VanDerWaalsContact CD1-CD1 3.4Å; L26-L34 HydrophobicContact CD1-CG 4.46Å; L26-F204 HydrophobicContact CD1-CZ 4.13Å; L26-F204 HydrophobicContact CD2-CE2 4.47Å; L26-F204 HydrophobicContact CD2-CZ 3.76Å
27	S	94.4	Very high	86	Confident	55 Å²	55	92.6 Å²	92.6	39%	0.385	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-60.7	156.8	167.6	75	0	0	0	0	110.8	L29 S30 K31	S27-L29 PolarHBondContact O-N 3.39Å; S27-S30 PolarHBondContact O-N 2.79Å; S27-S30 VanDerWaalsContact O-N 3.1Å; S27-S30 PolarHBondContact OG-N 2.98Å; S27-S30 VanDerWaalsContact OG-N 3.16Å; S27-S30 PolarHBondContact OG-OG 3.12Å; S27-K31 WeakPolarHBondContact O-CG 3.49Å; S27-K31 PolarHBondContact O-N 3.11Å
28	P	95.4	Very high	87.6	Confident	114 Å²	114	98 Å²	98	74%	0.74	52%	0.52	S	S	*	.	H	α-helix	trans	-53	-39.7	175.7	-28	35.8	0	0	0	113.2	K31 Y32	P28-K31 PolarHBondContact O-N 3.34Å; P28-Y32 WeakPolarHBondContact O-CB 3.45Å; P28-Y32 PolarHBondContact O-N 2.67Å
29	L	94.8	Very high	89.3	Confident	133 Å²	133	98.5 Å²	98.5	70%	0.696	50%	0.503	S	S	*	.	H	α-helix	trans	-64.9	-44.3	177	-178.8	61.6	0	0	0	112.1	S27 K31 Y32 R33	S27-L29 PolarHBondContact O-N 3.39Å; L29-K31 VanDerWaalsContact C-N 3.35Å; L29-Y32 PolarHBondContact O-N 3.34Å; L29-R33 WeakPolarHBondContact O-CB 3.39Å; L29-R33 PolarHBondContact O-N 3.18Å
30	S	93.9	Very high	90.8	Very high	39 Å²	39	95.6 Å²	95.6	27%	0.273	48%	0.484	S	S	.	.	H	α-helix	trans	-65.1	-38.8	176.9	-65.9	0	0	0	0	111.8	S27 R33 L34	S27-S30 PolarHBondContact O-N 2.79Å; S27-S30 VanDerWaalsContact O-N 3.1Å; S27-S30 PolarHBondContact OG-N 2.98Å; S27-S30 VanDerWaalsContact OG-N 3.16Å; S27-S30 PolarHBondContact OG-OG 3.12Å; S30-R33 PolarHBondContact O-N 3.07Å; S30-L34 PolarHBondContact O-N 2.85Å
31	K	93.6	Very high	91.9	Very high	118 Å²	118	88.7 Å²	88.7	51%	0.513	46%	0.455	S	S	.	.	H	α-helix	trans	-60.9	-49.9	173.3	-70.3	-179.3	179.7	175.7	0	111.1	L26 S27 P28 L29 R33 L34 C35	L26-K31 HydrophobicContact CB-CG 3.63Å; L26-K31 HydrophobicContact CD1-CG 4.32Å; L26-K31 VanDerWaalsContact O-CE 3.29Å; L26-K31 WeakPolarHBondContact O-CE 3.19Å; S27-K31 WeakPolarHBondContact O-CG 3.49Å; S27-K31 PolarHBondContact O-N 3.11Å; P28-K31 PolarHBondContact O-N 3.34Å; L29-K31 VanDerWaalsContact C-N 3.35Å; K31-R33 VanDerWaalsContact C-N 3.34Å; K31-R33 PolarHBondContact O-N 3.35Å; K31-L34 PolarHBondContact O-N 3.07Å; K31-C35 PolarHBondContact O-N 3.21Å; K31-C35 PolarHBondContact O-SG 3.3Å
32	Y	94.1	Very high	92.6	Very high	164 Å²	164	86.9 Å²	86.9	64%	0.643	45%	0.447	S	S	*	.	H	α-helix	trans	-57	-47.3	177.5	179.5	-98.4	0	0	0	111.5	P28 L29 L34 C35 T36	P28-Y32 WeakPolarHBondContact O-CB 3.45Å; P28-Y32 PolarHBondContact O-N 2.67Å; L29-Y32 PolarHBondContact O-N 3.34Å; Y32-L34 VanDerWaalsContact C-N 3.33Å; Y32-L34 PolarHBondContact O-N 3.16Å; Y32-C35 WeakPolarHBondContact O-CB 3.33Å; Y32-C35 PolarHBondContact O-N 3.33Å; Y32-C35 VanDerWaalsContact O-N 3.07Å; Y32-T36 HydrophobicContact CD1-CG2 4.4Å; Y32-T36 HydrophobicContact CE1-CG2 3.98Å; Y32-T36 PolarHBondContact O-N 3.47Å; Y32-T36 VanDerWaalsContact O-N 3.16Å
33	R	93	Very high	93.2	Very high	134 Å²	134	81 Å²	81	51%	0.506	42%	0.416	S	S	.	.	H	α-helix	trans	-56.8	-44.4	176.8	-178.3	173	173	174.1	-1.2	112.1	L29 S30 K31 C35 T36 L37 F204	L29-R33 WeakPolarHBondContact O-CB 3.39Å; L29-R33 PolarHBondContact O-N 3.18Å; S30-R33 PolarHBondContact O-N 3.07Å; K31-R33 VanDerWaalsContact C-N 3.34Å; K31-R33 PolarHBondContact O-N 3.35Å; R33-C35 VanDerWaalsContact C-N 3.33Å; R33-C35 PolarHBondContact O-N 3.07Å; R33-T36 PolarHBondContact O-N 3.27Å; R33-T36 PolarHBondContact O-OG1 2.99Å; R33-L37 HydrophobicContact CG-CD1 4.35Å; R33-L37 WeakPolarHBondContact O-CG 3.46Å; R33-L37 PolarHBondContact O-N 2.7Å; R33-F204 HydrophobicContact CG-CD1 4.4Å; R33-F204 PolarHBondContact NH2-O 3.36Å
34	L	93.3	Very high	93.9	Very high	34 Å²	34	76.9 Å²	76.9	18%	0.178	40%	0.395	C	S	.	.	H	α-helix	trans	-66	-34.6	176.7	-70.8	-176.8	0	0	0	113	L26 S30 K31 Y32 T36 L37 R203 F204	L26-L34 HydrophobicContact CD1-CD1 3.4Å; L26-L34 VanDerWaalsContact CD1-CD1 3.4Å; L26-L34 HydrophobicContact CD1-CG 4.46Å; S30-L34 PolarHBondContact O-N 2.85Å; K31-L34 PolarHBondContact O-N 3.07Å; Y32-L34 VanDerWaalsContact C-N 3.33Å; Y32-L34 PolarHBondContact O-N 3.16Å; L34-T36 PolarHBondContact O-N 2.75Å; L34-L37 HydrophobicContact CD2-CD1 4.46Å; L34-L37 PolarHBondContact O-N 3.01Å; L34-L37 VanDerWaalsContact O-N 3.11Å; L34-L37 VanDerWaalsContact O-O 3.05Å; L34-R203 HydrophobicContact CD2-CB 3.71Å; L34-R203 WeakPolarHBondContact CD2-O 3.13Å; L34-F204 HydrophobicContact CD1-CE1 3.88Å; L34-F204 HydrophobicContact CD1-CE2 4.39Å; L34-F204 HydrophobicContact CD1-CZ 3.7Å; L34-F204 HydrophobicContact CD2-CD1 3.58Å; L34-F204 HydrophobicContact CD2-CD2 4.31Å; L34-F204 HydrophobicContact CD2-CE1 3.59Å; L34-F204 HydrophobicContact CD2-CE2 4.3Å; L34-F204 HydrophobicContact CD2-CG 3.96Å; L34-F204 HydrophobicContact CD2-CZ 3.95Å; L34-F204 HydrophobicContact CG-CD1 3.93Å; L34-F204 HydrophobicContact CG-CE1 3.44Å; L34-F204 VanDerWaalsContact CG-CE1 3.44Å; L34-F204 HydrophobicContact CG-CZ 3.8Å
35	C	91.4	Very high	94.5	Very high	112 Å²	112	72 Å²	72	76%	0.757	37%	0.365	S	S	*	.	H	α-helix	trans	-63.9	-27	174.5	-64.8	0	0	0	0	112.7	K31 Y32 R33	K31-C35 PolarHBondContact O-N 3.21Å; K31-C35 PolarHBondContact O-SG 3.3Å; Y32-C35 WeakPolarHBondContact O-CB 3.33Å; Y32-C35 PolarHBondContact O-N 3.33Å; Y32-C35 VanDerWaalsContact O-N 3.07Å; R33-C35 VanDerWaalsContact C-N 3.33Å; R33-C35 PolarHBondContact O-N 3.07Å
36	T	91.3	Very high	94.9	Very high	89 Å²	89	66.6 Å²	66.6	55%	0.546	33%	0.33	S	S	.	.	H	α-helix	trans	-81.9	-14.3	174.9	66.7	0	0	0	0	113.8	Y32 R33 L34	Y32-T36 HydrophobicContact CD1-CG2 4.4Å; Y32-T36 HydrophobicContact CE1-CG2 3.98Å; Y32-T36 PolarHBondContact O-N 3.47Å; Y32-T36 VanDerWaalsContact O-N 3.16Å; R33-T36 PolarHBondContact O-N 3.27Å; R33-T36 PolarHBondContact O-OG1 2.99Å; L34-T36 PolarHBondContact O-N 2.75Å
37	L	91.2	Very high	95.2	Very high	47 Å²	47	65.5 Å²	65.5	25%	0.246	32%	0.324	C	S	.	.	S	Bend	trans	-99.5	145.6	-179.2	-67.1	174.3	0	0	0	110.4	R33 L34 F204	R33-L37 HydrophobicContact CG-CD1 4.35Å; R33-L37 WeakPolarHBondContact O-CG 3.46Å; R33-L37 PolarHBondContact O-N 2.7Å; L34-L37 HydrophobicContact CD2-CD1 4.46Å; L34-L37 PolarHBondContact O-N 3.01Å; L34-L37 VanDerWaalsContact O-N 3.11Å; L34-L37 VanDerWaalsContact O-O 3.05Å; L37-F204 WeakPolarHBondContact CD1-O 3.49Å
38	R	89.6	Confident	95.3	Very high	162 Å²	162	64.6 Å²	64.6	61%	0.611	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-67	137.2	171.7	-172.7	179.2	173.1	164.1	1.5	110.1	K40 D156	R38-K40 PolarHBondContact O-N 3.23Å; R38-D156 IonicContact NH1-OD2 3.68Å
39	R	95.3	Very high	95.5	Very high	134 Å²	134	59.2 Å²	59.2	51%	0.506	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-63.1	125.9	169	-170.5	175	-176.6	175	-2.7	109.4	S100 Y103	R39-S100 PolarHBondContact NH2-O 2.98Å; R39-Y103 VanDerWaalsContact NE-C 3.35Å; R39-Y103 PolarHBondContact NH2-O 2.84Å
40	K	97.9	Very high	95.6	Very high	8 Å²	8	52.9 Å²	52.9	4%	0.035	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-84.1	159.9	-175.7	-63.3	174.3	174.4	67.5	0	111.4	R38 Y103 E104 S159 F161 L202 R203 V205 V208	R38-K40 PolarHBondContact O-N 3.23Å; K40-Y103 HydrophobicContact CB-CD1 3.71Å; K40-Y103 HydrophobicContact CB-CE1 3.77Å; K40-Y103 HydrophobicContact CD-CE1 4.16Å; K40-Y103 WeakPolarHBondContact O-CA 3.38Å; K40-E104 PolarHBondContact O-N 2.9Å; K40-S159 CarbonylContact C-O 3.6Å; K40-S159 WeakPolarHBondContact CA-O 3.43Å; K40-S159 WeakPolarHBondContact CB-O 3.17Å; K40-F161 HydrophobicContact CB-CE1 4.35Å; K40-L202 WeakPolarHBondContact CD-O 2.9Å; K40-L202 WeakPolarHBondContact CE-O 3.32Å; K40-L202 PolarHBondContact NZ-O 2.91Å; K40-R203 PolarHBondContact NZ-O 3.42Å; K40-V205 VanDerWaalsContact CE-O 3.23Å; K40-V205 WeakPolarHBondContact CE-O 3.35Å; K40-V205 PolarHBondContact NZ-O 2.88Å; K40-V208 HydrophobicContact CD-CG1 3.48Å; K40-V208 VanDerWaalsContact CD-CG1 3.48Å
41	V	98.7	Very high	95.8	Very high	4 Å²	4	51 Å²	51	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122.8	176.5	-174.4	0	0	0	0	109.6	V43 E104 V106 I153 S159 V160 F161	V41-V43 HydrophobicContact CG1-CG2 4.44Å; V41-E104 CarbonylContact C-O 3.12Å; V41-E104 WeakPolarHBondContact CA-O 3.41Å; V41-E104 HydrophobicContact CG2-CB 4.3Å; V41-V106 HydrophobicContact CG1-CB 4.3Å; V41-V106 HydrophobicContact CG1-CG2 3.52Å; V41-I153 HydrophobicContact CG1-CG2 3.78Å; V41-S159 PolarHBondContact N-O 3.2Å; V41-V160 HydrophobicContact CB-CB 4.35Å; V41-V160 HydrophobicContact CB-CG2 4.12Å; V41-V160 HydrophobicContact CG1-CG2 4.34Å; V41-V160 WeakPolarHBondContact O-CA 3.49Å; V41-F161 PolarHBondContact O-N 3.45Å; V41-F161 VanDerWaalsContact O-N 3.11Å
42	M	98.7	Very high	95.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	115.9	172.3	-175.2	172	-173.5	0	0	109.2	L44 F95 I99 Y103 E104 L105 V106 F161 L163 L199	M42-L44 HydrophobicContact CE-CD2 3.69Å; M42-L44 HydrophobicContact CG-CD2 3.96Å; M42-L44 HydrophobicContact CG-CG 4.45Å; M42-L44 HydrophobicContact SD-CD2 4.1Å; M42-F95 HydrophobicContact CE-CZ 4.03Å; M42-I99 HydrophobicContact CE-CD1 4.43Å; M42-I99 HydrophobicContact SD-CD1 3.68Å; M42-Y103 HydrophobicContact CB-CD2 4.43Å; M42-Y103 HydrophobicContact CB-CG 4.01Å; M42-Y103 HydrophobicContact SD-CD2 4.28Å; M42-E104 PolarHBondContact N-O 2.77Å; M42-L105 HydrophobicContact CB-CD2 4.11Å; M42-L105 WeakPolarHBondContact O-CA 3.45Å; M42-V106 PolarHBondContact O-N 2.88Å; M42-F161 HydrophobicContact CB-CE1 4.28Å; M42-F161 HydrophobicContact CB-CE2 4.02Å; M42-F161 HydrophobicContact CB-CZ 3.77Å; M42-F161 HydrophobicContact CE-CE2 3.95Å; M42-F161 HydrophobicContact CG-CD2 4.21Å; M42-F161 HydrophobicContact CG-CE2 3.54Å; M42-F161 HydrophobicContact CG-CZ 3.8Å; M42-F161 HydrophobicContact SD-CE2 3.72Å; M42-F161 HydrophobicContact SD-CZ 3.98Å; M42-L163 HydrophobicContact CE-CB 3.79Å; M42-L163 HydrophobicContact CE-CD2 3.91Å; M42-L163 HydrophobicContact CE-CG 4.42Å; M42-L199 HydrophobicContact CE-CD1 3.89Å; M42-L199 HydrophobicContact CE-CD2 3.73Å; M42-L199 HydrophobicContact SD-CD1 4.26Å; M42-L199 HydrophobicContact SD-CD2 4Å
43	V	98.9	Very high	95.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130.1	176.8	-172.2	0	0	0	0	108.7	V41 V106 Y108 L150 I153 V160 F161 I162 L163	V41-V43 HydrophobicContact CG1-CG2 4.44Å; V43-V106 CarbonylContact C-O 3.58Å; V43-V106 WeakPolarHBondContact CA-O 3.15Å; V43-V106 HydrophobicContact CG2-CB 4.45Å; V43-Y108 HydrophobicContact CG1-CD1 4.1Å; V43-Y108 HydrophobicContact CG1-CG 4.28Å; V43-L150 HydrophobicContact CB-CD2 4.49Å; V43-L150 HydrophobicContact CG2-CD2 4.09Å; V43-I153 HydrophobicContact CB-CD1 4.37Å; V43-I153 HydrophobicContact CG1-CD1 3.96Å; V43-I153 HydrophobicContact CG2-CD1 3.45Å; V43-I153 VanDerWaalsContact CG2-CD1 3.45Å; V43-V160 HydrophobicContact CG2-CG2 3.75Å; V43-F161 PolarHBondContact N-O 2.94Å; V43-I162 HydrophobicContact CB-CB 3.96Å; V43-I162 HydrophobicContact CB-CD1 4.46Å; V43-I162 HydrophobicContact CB-CG1 3.94Å; V43-I162 HydrophobicContact CG1-CB 4.46Å; V43-I162 HydrophobicContact CG1-CD1 4.02Å; V43-I162 HydrophobicContact CG1-CG1 3.98Å; V43-I162 CarbonylContact O-C 3.54Å; V43-I162 WeakPolarHBondContact O-CA 3.23Å; V43-L163 PolarHBondContact O-N 3.05Å
44	L	98.9	Very high	95.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.7	-174.5	-60.4	171.7	0	0	0	109.5	M42 L50 F95 L96 I99 L105 V106 I107 Y108 L130 L163	M42-L44 HydrophobicContact CE-CD2 3.69Å; M42-L44 HydrophobicContact CG-CD2 3.96Å; M42-L44 HydrophobicContact CG-CG 4.45Å; M42-L44 HydrophobicContact SD-CD2 4.1Å; L44-L50 HydrophobicContact CB-CD1 4.19Å; L44-L50 HydrophobicContact CD1-CD1 4.34Å; L44-F95 HydrophobicContact CD2-CE1 4.42Å; L44-L96 HydrophobicContact CD1-CD2 3.82Å; L44-I99 HydrophobicContact CD1-CD1 4.07Å; L44-I99 HydrophobicContact CD2-CD1 4.2Å; L44-L105 HydrophobicContact CD1-CB 4.38Å; L44-L105 HydrophobicContact CD1-CD1 4.38Å; L44-L105 HydrophobicContact CD1-CD2 4.4Å; L44-V106 PolarHBondContact N-O 3.24Å; L44-I107 HydrophobicContact CB-CD1 4.01Å; L44-Y108 PolarHBondContact O-N 2.9Å; L44-L130 HydrophobicContact CD1-CD2 4.24Å; L44-L163 HydrophobicContact CD2-CB 4.11Å; L44-L163 HydrophobicContact CD2-CD2 4.04Å
45	D	98.8	Very high	95.3	Very high	11 Å²	11	34.1 Å²	34.1	6%	0.059	17%	0.17	C	C	.	.			trans	-73.8	160.7	162.8	-174.9	52.3	0	0	0	111.9	T49 L50 K148 L163 D164 N165	D45-T49 HydrophobicContact CB-CG2 4.16Å; D45-T49 PolarHBondContact OD2-OG1 3.36Å; D45-L50 WeakPolarHBondContact O-CG 3.49Å; D45-K148 VanDerWaalsContact CG-NZ 3.26Å; D45-K148 IonicContact OD1-NZ 2.78Å; D45-K148 PolarHBondContact OD1-NZ 3.31Å; D45-L163 PolarHBondContact N-O 2.88Å; D45-D164 HydrophobicContact CB-CB 4.14Å; D45-N165 PolarHBondContact OD2-OD1 3.19Å
46	L	98.5	Very high	94.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.158	C	C	.	.			trans	-101.6	-73.7	-179.7	-69	-177.9	0	0	0	112.3	T49 L50 I51 I107 T109	L46-T49 PolarHBondContact O-N 2.89Å; L46-L50 HydrophobicContact CD2-CD1 4.28Å; L46-L50 PolarHBondContact O-N 2.93Å; L46-I51 PolarHBondContact O-N 2.88Å; L46-I51 VanDerWaalsContact O-N 3.15Å; L46-I107 HydrophobicContact CD1-CG2 3.91Å; L46-I107 HydrophobicContact CD2-CD1 3.77Å; L46-I107 HydrophobicContact CD2-CG1 4.38Å; L46-I107 HydrophobicContact CD2-CG2 4Å; L46-I107 HydrophobicContact CG-CG2 3.79Å; L46-T109 HydrophobicContact CD1-CG2 3.92Å; L46-T109 HydrophobicContact CG-CG2 4.49Å
47	D	97.3	Very high	93	Very high	18 Å²	18	33.1 Å²	33.1	10%	0.096	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-69.4	131	-168.9	-62.5	-75.1	0	0	0	110.8	T49 I51 S111 Y115 N165	D47-T49 PolarHBondContact O-N 2.7Å; D47-I51 WeakPolarHBondContact OD1-CD1 3.49Å; D47-S111 PolarHBondContact OD2-OG 3.39Å; D47-Y115 WeakPolarHBondContact OD1-CE1 3.48Å; D47-Y115 PolarHBondContact OD1-OH 2.72Å; D47-Y115 WeakPolarHBondContact OD2-CE1 3.29Å; D47-N165 PolarHBondContact O-OD1 3.42Å
48	E	97.2	Very high	91.7	Very high	36 Å²	36	35 Å²	35	17%	0.168	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	-2.2	-172.6	-68.9	68.2	-132.3	0	0	115.5	I51 H52 S182 W183 F184	E48-I51 WeakPolarHBondContact CA-O 3.37Å; E48-I51 PolarHBondContact N-O 3.12Å; E48-H52 IonicContact OE1-CE1 2.98Å; E48-H52 PolarHBondContact OE1-CE1 2.86Å; E48-H52 IonicContact OE1-CG 3.86Å; E48-H52 IonicContact OE1-ND1 3.76Å; E48-H52 PolarHBondContact OE1-ND1 2.9Å; E48-S182 CarbonylContact O-C 3.56Å; E48-S182 WeakPolarHBondContact O-CA 3.4Å; E48-W183 WeakPolarHBondContact CA-O 3.5Å; E48-W183 PolarHBondContact O-N 3Å; E48-F184 HydrophobicContact CG-CD1 3.99Å; E48-F184 HydrophobicContact CG-CE1 3.45Å; E48-F184 VanDerWaalsContact CG-CE1 3.45Å; E48-F184 HydrophobicContact CG-CZ 3.94Å
49	T	98.6	Very high	90	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-62.4	175.1	-67.7	0	0	0	0	112.3	D45 L46 D47 R89 L163 N165 I180	D45-T49 HydrophobicContact CB-CG2 4.16Å; D45-T49 PolarHBondContact OD2-OG1 3.36Å; L46-T49 PolarHBondContact O-N 2.89Å; D47-T49 PolarHBondContact O-N 2.7Å; T49-R89 WeakPolarHBondContact O-CD 3.23Å; T49-R89 PolarHBondContact O-NH1 3.08Å; T49-L163 HydrophobicContact CG2-CD2 4.3Å; T49-L163 HydrophobicContact CG2-CG 4.12Å; T49-N165 PolarHBondContact OG1-N 3.21Å; T49-N165 PolarHBondContact OG1-OD1 3.48Å; T49-I180 HydrophobicContact CG2-CG2 4.08Å
50	L	98.6	Very high	88.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-29.7	179.6	-62.6	-177.4	0	0	0	112.8	L44 D45 L46 R89 V92 F95 L96 I107 L123 L192	L44-L50 HydrophobicContact CB-CD1 4.19Å; L44-L50 HydrophobicContact CD1-CD1 4.34Å; D45-L50 WeakPolarHBondContact O-CG 3.49Å; L46-L50 HydrophobicContact CD2-CD1 4.28Å; L46-L50 PolarHBondContact O-N 2.93Å; L50-R89 WeakPolarHBondContact O-CB 3.08Å; L50-R89 PolarHBondContact O-N 3.13Å; L50-V92 HydrophobicContact CB-CG2 4Å; L50-V92 HydrophobicContact CD2-CG2 3.99Å; L50-V92 HydrophobicContact CG-CG2 4.46Å; L50-F95 HydrophobicContact CD2-CE1 4.4Å; L50-L96 HydrophobicContact CD1-CD2 4.47Å; L50-I107 HydrophobicContact CD1-CD1 4.47Å; L50-L123 HydrophobicContact CB-CD2 4.28Å; L50-L123 HydrophobicContact CD1-CD2 4.12Å; L50-L192 HydrophobicContact CD2-CD1 4.29Å; L50-L192 HydrophobicContact CD2-CD2 4.18Å
51	I	97.9	Very high	86.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	165.5	-175.8	60.5	97.4	0	0	0	110.2	L46 D47 E48 V86 H87 K88 Y115 V119 L123	L46-I51 PolarHBondContact O-N 2.88Å; L46-I51 VanDerWaalsContact O-N 3.15Å; D47-I51 WeakPolarHBondContact OD1-CD1 3.49Å; E48-I51 WeakPolarHBondContact CA-O 3.37Å; E48-I51 PolarHBondContact N-O 3.12Å; I51-V86 HydrophobicContact CB-CG1 3.88Å; I51-V86 HydrophobicContact CD1-CG1 3.96Å; I51-V86 HydrophobicContact CG1-CG1 4.31Å; I51-V86 HydrophobicContact CG2-CG1 4.19Å; I51-H87 CarbonylContact C-O 3.59Å; I51-H87 VanDerWaalsContact CA-O 3.27Å; I51-H87 WeakPolarHBondContact CA-O 3.47Å; I51-H87 WeakPolarHBondContact CB-O 3.46Å; I51-K88 HydrophobicContact CG2-CG 4.42Å; I51-Y115 WeakPolarHBondContact CD1-OH 3.46Å; I51-V119 HydrophobicContact CD1-CG1 3.96Å; I51-V119 HydrophobicContact CG1-CG1 3.91Å; I51-L123 HydrophobicContact CG2-CD1 4.22Å; I51-L123 HydrophobicContact CG2-CD2 4.16Å
52	H	95.5	Very high	85.6	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	129.7	165.8	178.9	59.1	0	0	0	108.1	E48 T62 H87 W183 F184	E48-H52 IonicContact OE1-CE1 2.98Å; E48-H52 PolarHBondContact OE1-CE1 2.86Å; E48-H52 IonicContact OE1-CG 3.86Å; E48-H52 IonicContact OE1-ND1 3.76Å; E48-H52 PolarHBondContact OE1-ND1 2.9Å; H52-T62 PolarHBondContact NE2-OG1 2.76Å; H52-H87 PolarHBondContact N-O 2.65Å; H52-H87 PolarHBondContact O-N 2.92Å; H52-W183 HydrophobicContact CB-CE3 3.82Å; H52-W183 HydrophobicContact CB-CZ3 3.6Å; H52-F184 WeakPolarHBondContact CB-O 3.43Å; H52-F184 PolarHBondContact CD2-O 3.07Å; H52-F184 AromaticContact CE1-CD1 3.61Å; H52-F184 AromaticContact ND1-CD1 3.74Å
53	S	93.2	Very high	84.5	Confident	15 Å²	15	44.5 Å²	44.5	11%	0.105	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	144.6	178.6	73.3	0	0	0	0	111.8	S85 Y115	S53-S85 WeakPolarHBondContact CA-O 3.1Å; S53-Y115 WeakPolarHBondContact CB-OH 3.24Å; S53-Y115 PolarHBondContact OG-OH 2.99Å
54	V	89.2	Confident	83.4	Confident	28 Å²	28	54.1 Å²	54.1	17%	0.17	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	125.7	171.8	-177.3	0	0	0	0	106.9	V63 F84 S85	V54-V63 HydrophobicContact CG2-CG2 4.06Å; V54-F84 WeakPolarHBondContact O-CA 3.41Å; V54-S85 PolarHBondContact N-O 3.05Å; V54-S85 PolarHBondContact O-N 3.18Å
55	H	84.1	Confident	82.2	Confident	53 Å²	53	60.6 Å²	60.6	25%	0.245	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	145.3	175	59.7	-82.9	0	0	0	110.9	G57 I58 V82 R83 F84	H55-G57 PolarHBondContact O-N 2.79Å; H55-I58 VanDerWaalsContact CE1-CD1 3.45Å; H55-I58 WeakPolarHBondContact CE1-CD1 3.5Å; H55-I58 WeakPolarHBondContact NE2-CD1 3.33Å; H55-I58 WeakPolarHBondContact NE2-CG1 3.43Å; H55-I58 PolarHBondContact O-N 2.94Å; H55-V82 HydrophobicContact CB-CG1 4.23Å; H55-R83 VanDerWaalsContact CA-O 3.27Å; H55-R83 WeakPolarHBondContact CA-O 3.24Å; H55-F84 HydrophobicContact CB-CD1 3.72Å; H55-F84 HydrophobicContact CB-CE1 3.68Å; H55-F84 HydrophobicContact CB-CG 4.4Å; H55-F84 HydrophobicContact CB-CZ 4.33Å
56	D	72.5	Confident	81.3	Confident	95 Å²	95	63.3 Å²	63.3	51%	0.508	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	130	178.3	-70.5	-5.3	0	0	0	109.8	R83	D56-R83 PolarHBondContact N-O 3.11Å; D56-R83 VanDerWaalsContact N-O 3.08Å; D56-R83 VanDerWaalsContact OD2-CB 3.3Å; D56-R83 WeakPolarHBondContact OD2-CB 3.38Å; D56-R83 WeakPolarHBondContact OD2-CD 3.49Å
57	G	63.6	Low	80.6	Confident	84 Å²	84	66 Å²	66	87%	0.866	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.4	-16	177	0	0	0	0	0	116	H55	H55-G57 PolarHBondContact O-N 2.79Å
58	I	63.3	Low	80.2	Confident	87 Å²	87	68.6 Å²	68.6	45%	0.446	40%	0.396	S	S	.	.			trans	-110.8	113.2	171.8	-60.7	-165.7	0	0	0	110	H55 R60	H55-I58 VanDerWaalsContact CE1-CD1 3.45Å; H55-I58 WeakPolarHBondContact CE1-CD1 3.5Å; H55-I58 WeakPolarHBondContact NE2-CD1 3.33Å; H55-I58 WeakPolarHBondContact NE2-CG1 3.43Å; H55-I58 PolarHBondContact O-N 2.94Å; I58-R60 HydrophobicContact CG2-CG 3.88Å; I58-R60 PolarHBondContact O-N 3.36Å
59	M	53.3	Low	80	Confident	192 Å²	192	69 Å²	69	95%	0.946	40%	0.402	S	S	*	.			trans	-66.8	95.4	167.6	-70.4	-129.4	120.1	0	0	109.1
60	R	61.1	Low	79.9	Confident	117 Å²	117	72.3 Å²	72.3	44%	0.442	42%	0.42	S	S	.	.			trans	-95.4	115	161.5	-66.3	-167.7	174.9	-164.2	-2.5	107.7	I58 T62	I58-R60 HydrophobicContact CG2-CG 3.88Å; I58-R60 PolarHBondContact O-N 3.36Å; R60-T62 HydrophobicContact CB-CG2 4.34Å; R60-T62 PolarHBondContact O-N 3.31Å
61	P	64.5	Low	79.7	Confident	132 Å²	132	73.8 Å²	73.8	86%	0.857	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	19.7	177.6	29.9	-34	0	0	0	112.8
62	T	74.6	Confident	79.6	Confident	43 Å²	43	77.1 Å²	77.1	26%	0.264	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-30.8	-174.6	51.7	0	0	0	0	112.4	H52 R60 F184 S185	H52-T62 PolarHBondContact NE2-OG1 2.76Å; R60-T62 HydrophobicContact CB-CG2 4.34Å; R60-T62 PolarHBondContact O-N 3.31Å; T62-F184 HydrophobicContact CG2-CB 4.44Å; T62-F184 HydrophobicContact CG2-CD1 4.1Å; T62-F184 HydrophobicContact CG2-CG 4.39Å; T62-S185 WeakPolarHBondContact O-CB 3.4Å; T62-S185 PolarHBondContact O-OG 3.02Å
63	V	74.5	Confident	79.6	Confident	23 Å²	23	77.8 Å²	77.8	14%	0.139	45%	0.45	C	S	.	.	S	Bend	trans	-109.6	132	178.9	-176.9	0	0	0	0	109.5	V54 T67	V54-V63 HydrophobicContact CG2-CG2 4.06Å; V63-T67 HydrophobicContact CG1-CG2 4.14Å
64	R	76.6	Confident	79.7	Confident	202 Å²	202	83.5 Å²	83.5	76%	0.762	47%	0.473	S	S	*	.			trans	-58.5	128.8	177.3	-66.5	-177.6	-177.6	-168.4	-0.5	109.9	G66 T67	R64-G66 PolarHBondContact O-N 3.47Å; R64-T67 WeakPolarHBondContact O-CB 3.47Å; R64-T67 PolarHBondContact O-N 3.25Å; R64-T67 PolarHBondContact O-OG1 3.16Å
65	P	74.2	Confident	79.9	Confident	136 Å²	136	82.7 Å²	82.7	88%	0.883	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	134.9	177.9	-29.1	35.1	0	0	0	112.2	T67	P65-T67 VanDerWaalsContact C-N 3.34Å
66	G	78.3	Confident	80.3	Confident	69 Å²	69	86.8 Å²	86.8	71%	0.711	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	1	-178.8	0	0	0	0	0	115.6	R64 P68	R64-G66 PolarHBondContact O-N 3.47Å; G66-P68 VanDerWaalsContact O-CD 3.26Å; G66-P68 WeakPolarHBondContact O-CD 3.49Å
67	T	84.3	Confident	81	Confident	57 Å²	57	84.3 Å²	84.3	35%	0.35	47%	0.472	S	S	.	.			trans	-68.6	115.5	168.6	-55.2	0	0	0	0	108.9	V63 R64 P65	V63-T67 HydrophobicContact CG1-CG2 4.14Å; R64-T67 WeakPolarHBondContact O-CB 3.47Å; R64-T67 PolarHBondContact O-N 3.25Å; R64-T67 PolarHBondContact O-OG1 3.16Å; P65-T67 VanDerWaalsContact C-N 3.34Å
68	P	89.6	Confident	82.2	Confident	71 Å²	71	86.6 Å²	86.6	46%	0.461	46%	0.464	S	S	.	.			trans	-71	141.2	-179.4	24.5	-26.8	0	0	0	110.2	K11 G66	K11-P68 PolarHBondContact NZ-O 2.9Å; G66-P68 VanDerWaalsContact O-CD 3.26Å; G66-P68 WeakPolarHBondContact O-CD 3.49Å
69	P	92.9	Very high	83.3	Confident	44 Å²	44	91 Å²	91	29%	0.286	48%	0.483	S	S	.	.			trans	-65.4	159.5	173.8	28.4	-34	0	0	0	111.2	V72 V86	P69-V72 HydrophobicContact CB-CG2 4.47Å; P69-V72 HydrophobicContact CG-CG2 3.72Å; P69-V86 WeakPolarHBondContact CB-O 3.27Å
70	D	95.2	Very high	85	Confident	70 Å²	70	88.3 Å²	88.3	37%	0.374	47%	0.468	S	S	.	.	S	Bend	trans	-75.7	-36.8	171.3	-70.3	-80.6	0	0	0	110.8	V86 H87 K88	D70-V86 PolarHBondContact N-O 2.94Å; D70-H87 WeakPolarHBondContact OD2-CA 3.34Å; D70-K88 HydrophobicContact CB-CB 4.33Å; D70-K88 HydrophobicContact CB-CD 4.42Å; D70-K88 HydrophobicContact CB-CG 3.94Å; D70-K88 PolarHBondContact OD2-N 3.39Å
71	F	96.3	Very high	86.5	Confident	31 Å²	31	87.1 Å²	87.1	14%	0.136	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	161.5	168.4	53.7	-96.1	0	0	0	111.4	V86 K88 V119 L122	F71-V86 HydrophobicContact CD2-CB 3.67Å; F71-V86 HydrophobicContact CD2-CG1 4.25Å; F71-V86 HydrophobicContact CD2-CG2 3.96Å; F71-V86 HydrophobicContact CE1-CB 4.41Å; F71-V86 HydrophobicContact CE1-CG1 4.07Å; F71-V86 HydrophobicContact CE2-CB 3.37Å; F71-V86 HydrophobicContact CE2-CG1 3.5Å; F71-V86 HydrophobicContact CE2-CG2 3.58Å; F71-V86 HydrophobicContact CG-CB 4.34Å; F71-V86 HydrophobicContact CZ-CB 3.78Å; F71-V86 HydrophobicContact CZ-CG1 3.39Å; F71-V86 HydrophobicContact CZ-CG2 4.36Å; F71-V86 PolarHBondContact N-O 3.1Å; F71-V86 PolarHBondContact O-N 3.21Å; F71-K88 HydrophobicContact CE1-CD 4.29Å; F71-K88 HydrophobicContact CE1-CG 4.06Å; F71-V119 HydrophobicContact CE2-CG1 4.48Å; F71-V119 HydrophobicContact CZ-CG1 4.27Å; F71-L122 HydrophobicContact CB-CD1 4.49Å; F71-L122 HydrophobicContact CD1-CB 4.3Å; F71-L122 HydrophobicContact CD2-CB 3.79Å; F71-L122 HydrophobicContact CD2-CD1 3.45Å; F71-L122 VanDerWaalsContact CD2-CD1 3.45Å; F71-L122 HydrophobicContact CD2-CG 4.23Å; F71-L122 HydrophobicContact CE1-CB 4.29Å; F71-L122 HydrophobicContact CE2-CB 3.74Å; F71-L122 HydrophobicContact CE2-CD1 3.87Å; F71-L122 HydrophobicContact CE2-CG 4.47Å; F71-L122 HydrophobicContact CG-CB 4.05Å; F71-L122 HydrophobicContact CG-CD1 4.18Å; F71-L122 HydrophobicContact CZ-CB 4.01Å
72	V	94.9	Very high	87.8	Confident	70 Å²	70	82.5 Å²	82.5	42%	0.424	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120	176	178.4	0	0	0	0	108.6	P69 K74 F84	P69-V72 HydrophobicContact CB-CG2 4.47Å; P69-V72 HydrophobicContact CG-CG2 3.72Å; V72-K74 HydrophobicContact CG1-CG 4.45Å; V72-F84 CarbonylContact C-O 3.42Å; V72-F84 WeakPolarHBondContact CA-O 3.46Å
73	L	96.3	Very high	88.7	Confident	15 Å²	15	86.4 Å²	86.4	8%	0.079	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	133	173.5	175.4	66.7	0	0	0	109.4	V75 R83 F84 Y115 V119 L122	L73-V75 HydrophobicContact CD1-CG1 4Å; L73-V75 HydrophobicContact CD2-CG1 4.05Å; L73-V75 HydrophobicContact CG-CG1 3.9Å; L73-R83 WeakPolarHBondContact O-CA 3.22Å; L73-F84 HydrophobicContact CB-CB 4.28Å; L73-F84 PolarHBondContact N-O 2.5Å; L73-F84 PolarHBondContact O-N 2.94Å; L73-Y115 HydrophobicContact CD2-CD2 3.91Å; L73-Y115 HydrophobicContact CD2-CE2 4.39Å; L73-V119 HydrophobicContact CD2-CG2 3.67Å; L73-L122 HydrophobicContact CB-CD1 4.19Å; L73-L122 HydrophobicContact CD1-CD1 4.11Å
74	K	95.1	Very high	89.6	Confident	134 Å²	134	86.3 Å²	86.3	58%	0.583	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.5	173.2	-56.3	-174.2	-178.7	167.9	0	108.4	V72 V82 R83	V72-K74 HydrophobicContact CG1-CG 4.45Å; K74-V82 WeakPolarHBondContact CA-O 3.19Å; K74-R83 HydrophobicContact CG-CG 4.18Å
75	V	93.5	Very high	90.4	Very high	12 Å²	12	78.1 Å²	78.1	7%	0.073	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	155.8	178.8	-67.5	0	0	0	0	109.9	L73 I77 V82 F84 I114	L73-V75 HydrophobicContact CD1-CG1 4Å; L73-V75 HydrophobicContact CD2-CG1 4.05Å; L73-V75 HydrophobicContact CG-CG1 3.9Å; V75-I77 HydrophobicContact CG2-CD1 4.15Å; V75-I77 HydrophobicContact CG2-CG1 4.08Å; V75-V82 PolarHBondContact N-O 3.28Å; V75-V82 PolarHBondContact O-N 3.46Å; V75-F84 HydrophobicContact CG2-CD2 3.96Å; V75-F84 HydrophobicContact CG2-CE2 3.47Å; V75-F84 VanDerWaalsContact CG2-CE2 3.47Å; V75-I114 HydrophobicContact CB-CD1 4.04Å; V75-I114 HydrophobicContact CB-CG1 4.01Å; V75-I114 HydrophobicContact CG1-CG1 4Å
76	F	91.4	Very high	91.4	Very high	139 Å²	139	71.6 Å²	71.6	61%	0.61	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	111.9	174.6	-72.3	-95.1	0	0	0	108.9	H80 P81 I114	F76-H80 WeakPolarHBondContact CA-O 3.34Å; F76-P81 HydrophobicContact CD1-CB 4.18Å; F76-P81 HydrophobicContact CE1-CB 3.89Å; F76-P81 HydrophobicContact CE1-CG 4.42Å; F76-P81 HydrophobicContact CZ-CB 4.32Å; F76-I114 WeakPolarHBondContact O-CD1 3.47Å
77	I	87.6	Confident	92.3	Very high	43 Å²	43	69.1 Å²	69.1	22%	0.221	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.4	176	-57.6	176.2	0	0	0	106.3	V75 H79 H80 V82 F84 I114	V75-I77 HydrophobicContact CG2-CD1 4.15Å; V75-I77 HydrophobicContact CG2-CG1 4.08Å; I77-H79 VanDerWaalsContact C-N 3.26Å; I77-H79 PolarHBondContact O-N 2.8Å; I77-H80 PolarHBondContact N-O 3.35Å; I77-H80 WeakPolarHBondContact O-CB 3.43Å; I77-H80 PolarHBondContact O-N 2.95Å; I77-V82 HydrophobicContact CB-CG2 4.22Å; I77-V82 HydrophobicContact CD1-CB 4.34Å; I77-V82 HydrophobicContact CD1-CG2 4.13Å; I77-V82 HydrophobicContact CG1-CG2 4.3Å; I77-F84 HydrophobicContact CD1-CE2 4.33Å; I77-F84 HydrophobicContact CD1-CZ 4.21Å; I77-I114 HydrophobicContact CG1-CG2 4.36Å
78	D	88.4	Confident	92.9	Very high	132 Å²	132	68.7 Å²	68.7	71%	0.706	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	45.8	-176.4	-54.5	-36.9	0	0	0	113.1	H80	D78-H80 PolarHBondContact O-CD2 2.83Å; D78-H80 PolarHBondContact O-N 3.5Å; D78-H80 VanDerWaalsContact O-N 3.07Å
79	H	87.4	Confident	93.3	Very high	180 Å²	180	65.4 Å²	65.4	83%	0.833	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	2.1	-176.3	-49.8	-72	0	0	0	116.1	I77	I77-H79 VanDerWaalsContact C-N 3.26Å; I77-H79 PolarHBondContact O-N 2.8Å
80	H	89.2	Confident	93.4	Very high	135 Å²	135	64.2 Å²	64.2	63%	0.625	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.3	174	-63.9	-67.2	0	0	0	110.7	F76 I77 D78 V82	F76-H80 WeakPolarHBondContact CA-O 3.34Å; I77-H80 PolarHBondContact N-O 3.35Å; I77-H80 WeakPolarHBondContact O-CB 3.43Å; I77-H80 PolarHBondContact O-N 2.95Å; D78-H80 PolarHBondContact O-CD2 2.83Å; D78-H80 PolarHBondContact O-N 3.5Å; D78-H80 VanDerWaalsContact O-N 3.07Å; H80-V82 PolarHBondContact O-N 3.29Å
81	P	91	Very high	93.4	Very high	92 Å²	92	62.8 Å²	62.8	60%	0.597	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	116.6	176.1	28	-32.5	0	0	0	110	F76	F76-P81 HydrophobicContact CD1-CB 4.18Å; F76-P81 HydrophobicContact CE1-CB 3.89Å; F76-P81 HydrophobicContact CE1-CG 4.42Å; F76-P81 HydrophobicContact CZ-CB 4.32Å
82	V	92.3	Very high	93.5	Very high	35 Å²	35	61.3 Å²	61.3	21%	0.212	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.7	175.7	-172.6	0	0	0	0	109.1	H55 K74 V75 I77 H80 F84	H55-V82 HydrophobicContact CB-CG1 4.23Å; K74-V82 WeakPolarHBondContact CA-O 3.19Å; V75-V82 PolarHBondContact N-O 3.28Å; V75-V82 PolarHBondContact O-N 3.46Å; I77-V82 HydrophobicContact CB-CG2 4.22Å; I77-V82 HydrophobicContact CD1-CB 4.34Å; I77-V82 HydrophobicContact CD1-CG2 4.13Å; I77-V82 HydrophobicContact CG1-CG2 4.3Å; H80-V82 PolarHBondContact O-N 3.29Å; V82-F84 HydrophobicContact CB-CE2 3.9Å; V82-F84 HydrophobicContact CB-CZ 4.42Å; V82-F84 HydrophobicContact CG1-CD2 4.15Å; V82-F84 HydrophobicContact CG1-CE1 4.46Å; V82-F84 HydrophobicContact CG1-CE2 3.45Å; V82-F84 VanDerWaalsContact CG1-CE2 3.45Å; V82-F84 HydrophobicContact CG1-CZ 3.65Å
83	R	93.5	Very high	93.6	Very high	124 Å²	124	60.2 Å²	60.2	47%	0.468	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.5	176.7	-61.4	-173.9	169.5	179.2	0.9	109.8	H55 D56 L73 K74	H55-R83 VanDerWaalsContact CA-O 3.27Å; H55-R83 WeakPolarHBondContact CA-O 3.24Å; D56-R83 PolarHBondContact N-O 3.11Å; D56-R83 VanDerWaalsContact N-O 3.08Å; D56-R83 VanDerWaalsContact OD2-CB 3.3Å; D56-R83 WeakPolarHBondContact OD2-CB 3.38Å; D56-R83 WeakPolarHBondContact OD2-CD 3.49Å; L73-R83 WeakPolarHBondContact O-CA 3.22Å; K74-R83 HydrophobicContact CG-CG 4.18Å
84	F	94	Very high	93.6	Very high	22 Å²	22	63.5 Å²	63.5	10%	0.096	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	115.9	175.7	-63.7	-94.1	0	0	0	108.9	V54 H55 V72 L73 V75 I77 V82 V86 Y115	V54-F84 WeakPolarHBondContact O-CA 3.41Å; H55-F84 HydrophobicContact CB-CD1 3.72Å; H55-F84 HydrophobicContact CB-CE1 3.68Å; H55-F84 HydrophobicContact CB-CG 4.4Å; H55-F84 HydrophobicContact CB-CZ 4.33Å; V72-F84 CarbonylContact C-O 3.42Å; V72-F84 WeakPolarHBondContact CA-O 3.46Å; L73-F84 HydrophobicContact CB-CB 4.28Å; L73-F84 PolarHBondContact N-O 2.5Å; L73-F84 PolarHBondContact O-N 2.94Å; V75-F84 HydrophobicContact CG2-CD2 3.96Å; V75-F84 HydrophobicContact CG2-CE2 3.47Å; V75-F84 VanDerWaalsContact CG2-CE2 3.47Å; I77-F84 HydrophobicContact CD1-CE2 4.33Å; I77-F84 HydrophobicContact CD1-CZ 4.21Å; V82-F84 HydrophobicContact CB-CE2 3.9Å; V82-F84 HydrophobicContact CB-CZ 4.42Å; V82-F84 HydrophobicContact CG1-CD2 4.15Å; V82-F84 HydrophobicContact CG1-CE1 4.46Å; V82-F84 HydrophobicContact CG1-CE2 3.45Å; V82-F84 VanDerWaalsContact CG1-CE2 3.45Å; V82-F84 HydrophobicContact CG1-CZ 3.65Å; F84-V86 HydrophobicContact CB-CG2 4.25Å; F84-Y115 HydrophobicContact CB-CE2 4.23Å; F84-Y115 AromaticContact CD1-CD2 3.83Å; F84-Y115 HydrophobicContact CD1-CD2 3.83Å; F84-Y115 AromaticContact CD1-CE2 3.59Å; F84-Y115 HydrophobicContact CD1-CE2 3.59Å; F84-Y115 AromaticContact CD2-CD2 3.98Å; F84-Y115 HydrophobicContact CD2-CD2 3.98Å; F84-Y115 HydrophobicContact CD2-CE2 4.38Å; F84-Y115 AromaticContact CE1-CD2 3.88Å; F84-Y115 HydrophobicContact CE1-CD2 3.88Å; F84-Y115 AromaticContact CE1-CE2 3.99Å; F84-Y115 HydrophobicContact CE1-CE2 3.99Å; F84-Y115 HydrophobicContact CE2-CD2 4.05Å; F84-Y115 AromaticContact CG-CD2 3.88Å; F84-Y115 HydrophobicContact CG-CD2 3.88Å; F84-Y115 AromaticContact CG-CE2 3.82Å; F84-Y115 HydrophobicContact CG-CE2 3.82Å; F84-Y115 AromaticContact CZ-CD2 4Å; F84-Y115 HydrophobicContact CZ-CD2 4Å
85	S	93.9	Very high	93.7	Very high	29 Å²	29	57.1 Å²	57.1	20%	0.203	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	112.6	166.9	-69.9	0	0	0	0	108.4	S53 V54	S53-S85 WeakPolarHBondContact CA-O 3.1Å; V54-S85 PolarHBondContact N-O 3.05Å; V54-S85 PolarHBondContact O-N 3.18Å
86	V	95	Very high	94	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.1	-173.9	-174.5	0	0	0	0	110.5	I51 P69 D70 F71 F84 V119	I51-V86 HydrophobicContact CB-CG1 3.88Å; I51-V86 HydrophobicContact CD1-CG1 3.96Å; I51-V86 HydrophobicContact CG1-CG1 4.31Å; I51-V86 HydrophobicContact CG2-CG1 4.19Å; P69-V86 WeakPolarHBondContact CB-O 3.27Å; D70-V86 PolarHBondContact N-O 2.94Å; F71-V86 HydrophobicContact CD2-CB 3.67Å; F71-V86 HydrophobicContact CD2-CG1 4.25Å; F71-V86 HydrophobicContact CD2-CG2 3.96Å; F71-V86 HydrophobicContact CE1-CB 4.41Å; F71-V86 HydrophobicContact CE1-CG1 4.07Å; F71-V86 HydrophobicContact CE2-CB 3.37Å; F71-V86 HydrophobicContact CE2-CG1 3.5Å; F71-V86 HydrophobicContact CE2-CG2 3.58Å; F71-V86 HydrophobicContact CG-CB 4.34Å; F71-V86 HydrophobicContact CZ-CB 3.78Å; F71-V86 HydrophobicContact CZ-CG1 3.39Å; F71-V86 HydrophobicContact CZ-CG2 4.36Å; F71-V86 PolarHBondContact N-O 3.1Å; F71-V86 PolarHBondContact O-N 3.21Å; F84-V86 HydrophobicContact CB-CG2 4.25Å; V86-V119 HydrophobicContact CG2-CG2 4.33Å
87	H	95.7	Very high	94.2	Very high	16 Å²	16	53.4 Å²	53.4	7%	0.074	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.2	175.4	-60.3	-87.1	0	0	0	109.2	I51 H52 D70 W183	I51-H87 CarbonylContact C-O 3.59Å; I51-H87 VanDerWaalsContact CA-O 3.27Å; I51-H87 WeakPolarHBondContact CA-O 3.47Å; I51-H87 WeakPolarHBondContact CB-O 3.46Å; H52-H87 PolarHBondContact N-O 2.65Å; H52-H87 PolarHBondContact O-N 2.92Å; D70-H87 WeakPolarHBondContact OD2-CA 3.34Å; H87-W183 HydrophobicContact CB-CH2 3.87Å; H87-W183 HydrophobicContact CB-CZ3 4.19Å; H87-W183 WeakPolarHBondContact O-CZ3 3.12Å
88	K	97.4	Very high	94.7	Very high	48 Å²	48	51.5 Å²	51.5	21%	0.209	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	132.5	176.9	-74.5	-165.7	-61.9	-178.5	0	110.1	I51 D70 F71 V92 D93 L123 W183	I51-K88 HydrophobicContact CG2-CG 4.42Å; D70-K88 HydrophobicContact CB-CB 4.33Å; D70-K88 HydrophobicContact CB-CD 4.42Å; D70-K88 HydrophobicContact CB-CG 3.94Å; D70-K88 PolarHBondContact OD2-N 3.39Å; F71-K88 HydrophobicContact CE1-CD 4.29Å; F71-K88 HydrophobicContact CE1-CG 4.06Å; K88-V92 HydrophobicContact CB-CG1 3.71Å; K88-V92 HydrophobicContact CD-CG1 3.89Å; K88-V92 HydrophobicContact CG-CG1 4.08Å; K88-D93 IonicContact NZ-OD1 2.82Å; K88-D93 PolarHBondContact NZ-OD1 3.08Å; K88-D93 IonicContact NZ-OD2 2.69Å; K88-D93 PolarHBondContact NZ-OD2 3.18Å; K88-L123 HydrophobicContact CD-CD1 3.75Å; K88-L123 HydrophobicContact CG-CD1 4.16Å; K88-W183 VanDerWaalsContact C-CH2 3.42Å; K88-W183 WeakPolarHBondContact O-CH2 3.48Å
89	R	97.6	Very high	95.1	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.008	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-58.5	138	170.1	-172.9	169.4	-171.9	153.8	14.1	109	T49 L50 H91 V92 I180 R181 W183 D189 L192	T49-R89 WeakPolarHBondContact O-CD 3.23Å; T49-R89 PolarHBondContact O-NH1 3.08Å; L50-R89 WeakPolarHBondContact O-CB 3.08Å; L50-R89 PolarHBondContact O-N 3.13Å; R89-H91 PolarHBondContact O-N 2.98Å; R89-V92 VanDerWaalsContact O-CB 3.31Å; R89-V92 WeakPolarHBondContact O-CB 3.27Å; R89-V92 VanDerWaalsContact O-CG1 3.26Å; R89-V92 WeakPolarHBondContact O-CG1 3.46Å; R89-V92 PolarHBondContact O-N 2.94Å; R89-V92 VanDerWaalsContact O-N 3.16Å; R89-I180 VanDerWaalsContact NH1-CD1 3.34Å; R89-R181 PolarHBondContact NH1-O 2.78Å; R89-R181 PolarHBondContact NH2-O 2.95Å; R89-W183 HydrophobicContact CB-CD2 3.8Å; R89-W183 HydrophobicContact CB-CE3 3.74Å; R89-W183 HydrophobicContact CB-CG 4.26Å; R89-W183 HydrophobicContact CB-CZ3 4.13Å; R89-W183 HydrophobicContact CG-CB 4.13Å; R89-W183 HydrophobicContact CG-CD2 3.69Å; R89-W183 HydrophobicContact CG-CE3 4.15Å; R89-W183 HydrophobicContact CG-CG 3.65Å; R89-W183 VanDerWaalsContact CZ-CB 3.45Å; R89-D189 IonicContact CZ-OD1 3.86Å; R89-D189 IonicContact CZ-OD2 2.65Å; R89-D189 IonicContact NE-OD1 3.6Å; R89-D189 PolarHBondContact NE-OD1 3.4Å; R89-D189 IonicContact NE-OD2 2.93Å; R89-D189 IonicContact NH2-OD1 3.67Å; R89-D189 IonicContact NH2-OD2 3.66Å; R89-D189 PolarHBondContact NH2-OD2 2.77Å; R89-L192 HydrophobicContact CB-CD1 4.15Å; R89-L192 HydrophobicContact CG-CD1 4.02Å; R89-L192 HydrophobicContact CG-CG 4.37Å
90	P	95.9	Very high	95.6	Very high	20 Å²	20	37.7 Å²	37.7	13%	0.13	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	143.5	176.1	-29.5	35.6	0	0	0	111.7	V92 W183 D186 D189	P90-V92 PolarHBondContact O-N 3.25Å; P90-V92 VanDerWaalsContact O-N 3.16Å; P90-W183 VanDerWaalsContact CD-CE2 3.44Å; P90-W183 VanDerWaalsContact CD-CZ2 3.49Å; P90-W183 HydrophobicContact CG-CZ2 4.46Å; P90-D186 WeakPolarHBondContact CG-O 3.4Å; P90-D189 VanDerWaalsContact CB-O 3.27Å; P90-D189 WeakPolarHBondContact CB-O 3.07Å; P90-D189 HydrophobicContact CG-CB 4.09Å
91	H	95.7	Very high	95.9	Very high	39 Å²	39	37.1 Å²	37.1	18%	0.181	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	-0.6	-179.3	-46	-68.1	0	0	0	116.6	Q17 R89 D93 F94 F95 D189 L193	Q17-H91 PolarHBondContact OE1-NE2 3.43Å; R89-H91 PolarHBondContact O-N 2.98Å; H91-D93 PolarHBondContact O-N 3.4Å; H91-F94 PolarHBondContact O-N 3.16Å; H91-F95 VanDerWaalsContact O-CB 3.28Å; H91-F95 WeakPolarHBondContact O-CB 3.4Å; H91-F95 PolarHBondContact O-N 3.22Å; H91-D189 PolarHBondContact CD2-O 3.35Å; H91-D189 PolarHBondContact NE2-O 3.33Å; H91-L193 HydrophobicContact CB-CB 4.3Å
92	V	97.8	Very high	96.2	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-57.3	-41.4	-175	70.8	0	0	0	0	114.3	L50 K88 R89 P90 F94 F95 L96 L123 L192	L50-V92 HydrophobicContact CB-CG2 4Å; L50-V92 HydrophobicContact CD2-CG2 3.99Å; L50-V92 HydrophobicContact CG-CG2 4.46Å; K88-V92 HydrophobicContact CB-CG1 3.71Å; K88-V92 HydrophobicContact CD-CG1 3.89Å; K88-V92 HydrophobicContact CG-CG1 4.08Å; R89-V92 VanDerWaalsContact O-CB 3.31Å; R89-V92 WeakPolarHBondContact O-CB 3.27Å; R89-V92 VanDerWaalsContact O-CG1 3.26Å; R89-V92 WeakPolarHBondContact O-CG1 3.46Å; R89-V92 PolarHBondContact O-N 2.94Å; R89-V92 VanDerWaalsContact O-N 3.16Å; P90-V92 PolarHBondContact O-N 3.25Å; P90-V92 VanDerWaalsContact O-N 3.16Å; V92-F94 PolarHBondContact O-N 3.07Å; V92-F95 PolarHBondContact O-N 3.07Å; V92-L96 HydrophobicContact CG2-CD1 4Å; V92-L96 HydrophobicContact CG2-CG 4.23Å; V92-L96 WeakPolarHBondContact O-CB 3.17Å; V92-L96 VanDerWaalsContact O-CG 3.27Å; V92-L96 WeakPolarHBondContact O-CG 3.38Å; V92-L96 PolarHBondContact O-N 3.23Å; V92-L123 HydrophobicContact CG1-CD1 4.14Å; V92-L123 HydrophobicContact CG2-CD1 4.25Å; V92-L192 HydrophobicContact CB-CD1 3.82Å; V92-L192 HydrophobicContact CG2-CD1 4.06Å
93	D	97.4	Very high	96.5	Very high	46 Å²	46	32.1 Å²	32.1	25%	0.246	15%	0.153	C	C	.	.	H	α-helix	trans	-64.3	-45.7	-179.6	-57.7	-53.6	0	0	0	111.1	K88 H91 N97 R127	K88-D93 IonicContact NZ-OD1 2.82Å; K88-D93 PolarHBondContact NZ-OD1 3.08Å; K88-D93 IonicContact NZ-OD2 2.69Å; K88-D93 PolarHBondContact NZ-OD2 3.18Å; H91-D93 PolarHBondContact O-N 3.4Å; D93-N97 WeakPolarHBondContact O-CB 3.42Å; D93-N97 PolarHBondContact O-N 2.87Å; D93-N97 PolarHBondContact O-ND2 3Å; D93-R127 PolarHBondContact O-NH1 2.85Å
94	F	96.1	Very high	96.7	Very high	84 Å²	84	29.9 Å²	29.9	37%	0.368	15%	0.148	S	C	.	.	H	α-helix	trans	-65.1	-47.9	177.2	176	-100.2	0	0	0	110.9	H91 V92 L96 N97 V98 L193 L196	H91-F94 PolarHBondContact O-N 3.16Å; V92-F94 PolarHBondContact O-N 3.07Å; F94-L96 PolarHBondContact O-N 3.46Å; F94-N97 WeakPolarHBondContact O-CB 3.48Å; F94-N97 PolarHBondContact O-N 3.09Å; F94-N97 VanDerWaalsContact O-N 3.16Å; F94-V98 HydrophobicContact CD1-CG2 4.31Å; F94-V98 HydrophobicContact CD2-CG2 4.4Å; F94-V98 HydrophobicContact CE1-CG2 3.9Å; F94-V98 HydrophobicContact CE2-CG2 3.99Å; F94-V98 HydrophobicContact CZ-CG2 3.73Å; F94-V98 WeakPolarHBondContact O-CG2 3.29Å; F94-V98 PolarHBondContact O-N 3.1Å; F94-L193 HydrophobicContact CD1-CD1 4.08Å; F94-L193 HydrophobicContact CE1-CD1 3.89Å; F94-L196 HydrophobicContact CD1-CD1 4.24Å; F94-L196 HydrophobicContact CE1-CD1 3.67Å
95	F	97.8	Very high	96.9	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-52.3	-54.5	175.9	175.6	-100.6	0	0	0	111.1	M42 L44 L50 H91 V92 N97 V98 I99 L163 L192 L195 L196 L199	M42-F95 HydrophobicContact CE-CZ 4.03Å; L44-F95 HydrophobicContact CD2-CE1 4.42Å; L50-F95 HydrophobicContact CD2-CE1 4.4Å; H91-F95 VanDerWaalsContact O-CB 3.28Å; H91-F95 WeakPolarHBondContact O-CB 3.4Å; H91-F95 PolarHBondContact O-N 3.22Å; V92-F95 PolarHBondContact O-N 3.07Å; F95-N97 VanDerWaalsContact C-N 3.33Å; F95-N97 PolarHBondContact O-N 3.31Å; F95-V98 PolarHBondContact O-N 3.18Å; F95-V98 VanDerWaalsContact O-N 3.1Å; F95-I99 HydrophobicContact CD1-CD1 3.97Å; F95-I99 HydrophobicContact CD1-CG1 4.39Å; F95-I99 HydrophobicContact CD2-CG2 4.24Å; F95-I99 HydrophobicContact CE1-CD1 3.4Å; F95-I99 HydrophobicContact CE1-CG1 4.23Å; F95-I99 HydrophobicContact CE1-CG2 4.49Å; F95-I99 HydrophobicContact CE2-CG2 3.96Å; F95-I99 HydrophobicContact CZ-CD1 3.81Å; F95-I99 HydrophobicContact CZ-CG2 4.09Å; F95-I99 WeakPolarHBondContact O-CG1 3.23Å; F95-I99 PolarHBondContact O-N 2.78Å; F95-L163 HydrophobicContact CE1-CD2 4.29Å; F95-L163 HydrophobicContact CZ-CD2 4Å; F95-L192 HydrophobicContact CB-CB 4.16Å; F95-L192 HydrophobicContact CD1-CB 4.49Å; F95-L192 HydrophobicContact CD1-CD1 4.41Å; F95-L192 HydrophobicContact CD1-CD2 4.25Å; F95-L192 HydrophobicContact CD2-CB 3.9Å; F95-L192 WeakPolarHBondContact CD2-O 3.28Å; F95-L192 HydrophobicContact CE1-CD2 4.11Å; F95-L192 HydrophobicContact CE2-CB 4.4Å; F95-L192 HydrophobicContact CE2-CD2 4.49Å; F95-L192 WeakPolarHBondContact CE2-O 3.49Å; F95-L192 HydrophobicContact CG-CB 3.94Å; F95-L192 HydrophobicContact CG-CD1 4.48Å; F95-L192 HydrophobicContact CG-CD2 4.5Å; F95-L192 HydrophobicContact CZ-CD2 4.24Å; F95-L195 HydrophobicContact CE2-CB 4.36Å; F95-L196 HydrophobicContact CD2-CD2 3.66Å; F95-L196 HydrophobicContact CD2-CG 4.22Å; F95-L196 HydrophobicContact CE2-CD2 4.03Å; F95-L199 HydrophobicContact CE2-CD1 3.5Å; F95-L199 VanDerWaalsContact CE2-CD1 3.5Å; F95-L199 HydrophobicContact CZ-CD1 3.75Å
96	L	98.4	Very high	97.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.2	-40.6	178.4	-72.4	175.6	0	0	0	112.5	L44 L50 V92 F94 V98 I99 S100 L105 L123 I129 L130	L44-L96 HydrophobicContact CD1-CD2 3.82Å; L50-L96 HydrophobicContact CD1-CD2 4.47Å; V92-L96 HydrophobicContact CG2-CD1 4Å; V92-L96 HydrophobicContact CG2-CG 4.23Å; V92-L96 WeakPolarHBondContact O-CB 3.17Å; V92-L96 VanDerWaalsContact O-CG 3.27Å; V92-L96 WeakPolarHBondContact O-CG 3.38Å; V92-L96 PolarHBondContact O-N 3.23Å; F94-L96 PolarHBondContact O-N 3.46Å; L96-V98 VanDerWaalsContact C-N 3.3Å; L96-V98 PolarHBondContact O-N 2.98Å; L96-I99 HydrophobicContact CD2-CD1 4.34Å; L96-S100 WeakPolarHBondContact O-CB 3.35Å; L96-S100 PolarHBondContact O-N 2.95Å; L96-S100 PolarHBondContact O-OG 3.16Å; L96-L105 HydrophobicContact CD2-CD1 4.27Å; L96-L123 HydrophobicContact CD1-CD1 4.36Å; L96-L123 HydrophobicContact CD1-CD2 4.11Å; L96-L123 HydrophobicContact CD1-CG 3.98Å; L96-I129 HydrophobicContact CB-CD1 4.04Å; L96-L130 HydrophobicContact CD1-CD1 4.31Å; L96-L130 HydrophobicContact CD2-CD2 4.34Å
97	N	96.8	Very high	97.3	Very high	72 Å²	72	27.8 Å²	27.8	39%	0.385	14%	0.135	S	C	.	.	H	α-helix	trans	-63.9	-32.9	176.4	-75.7	-18.7	0	0	0	113.3	D93 F94 F95 S100 Q101 R127	D93-N97 WeakPolarHBondContact O-CB 3.42Å; D93-N97 PolarHBondContact O-N 2.87Å; D93-N97 PolarHBondContact O-ND2 3Å; F94-N97 WeakPolarHBondContact O-CB 3.48Å; F94-N97 PolarHBondContact O-N 3.09Å; F94-N97 VanDerWaalsContact O-N 3.16Å; F95-N97 VanDerWaalsContact C-N 3.33Å; F95-N97 PolarHBondContact O-N 3.31Å; N97-S100 PolarHBondContact O-OG 2.84Å; N97-Q101 PolarHBondContact O-NE2 2.63Å; N97-R127 VanDerWaalsContact OD1-CD 3.23Å; N97-R127 WeakPolarHBondContact OD1-CD 3.3Å; N97-R127 PolarHBondContact OD1-NH1 2.97Å
98	V	96.7	Very high	97.5	Very high	3 Å²	3	27 Å²	27	2%	0.018	13%	0.132	C	C	.	.	H	α-helix	trans	-78	-53.5	178.5	175.1	0	0	0	0	110.1	Y21 I23 F94 F95 L96 S100 Q101 W102 L196	Y21-V98 HydrophobicContact CE1-CG1 4.5Å; I23-V98 HydrophobicContact CD1-CG2 4.1Å; F94-V98 HydrophobicContact CD1-CG2 4.31Å; F94-V98 HydrophobicContact CD2-CG2 4.4Å; F94-V98 HydrophobicContact CE1-CG2 3.9Å; F94-V98 HydrophobicContact CE2-CG2 3.99Å; F94-V98 HydrophobicContact CZ-CG2 3.73Å; F94-V98 WeakPolarHBondContact O-CG2 3.29Å; F94-V98 PolarHBondContact O-N 3.1Å; F95-V98 PolarHBondContact O-N 3.18Å; F95-V98 VanDerWaalsContact O-N 3.1Å; L96-V98 VanDerWaalsContact C-N 3.3Å; L96-V98 PolarHBondContact O-N 2.98Å; V98-S100 VanDerWaalsContact C-N 3.28Å; V98-S100 PolarHBondContact O-N 2.79Å; V98-Q101 WeakPolarHBondContact O-CB 3.33Å; V98-Q101 PolarHBondContact O-N 2.77Å; V98-Q101 VanDerWaalsContact O-N 3.1Å; V98-W102 HydrophobicContact CG1-CD2 4.25Å; V98-W102 HydrophobicContact CG1-CE3 4.19Å; V98-W102 HydrophobicContact CG1-CH2 3.25Å; V98-W102 HydrophobicContact CG1-CZ2 3.27Å; V98-W102 HydrophobicContact CG1-CZ3 3.73Å; V98-L196 HydrophobicContact CB-CD2 4.15Å; V98-L196 HydrophobicContact CG1-CD2 3.87Å
99	I	97.9	Very high	97.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.1	-25.7	-173.5	66.9	162.7	0	0	0	112.8	M42 L44 F95 L96 Q101 W102 Y103 L105 L196 L199	M42-I99 HydrophobicContact CE-CD1 4.43Å; M42-I99 HydrophobicContact SD-CD1 3.68Å; L44-I99 HydrophobicContact CD1-CD1 4.07Å; L44-I99 HydrophobicContact CD2-CD1 4.2Å; F95-I99 HydrophobicContact CD1-CD1 3.97Å; F95-I99 HydrophobicContact CD1-CG1 4.39Å; F95-I99 HydrophobicContact CD2-CG2 4.24Å; F95-I99 HydrophobicContact CE1-CD1 3.4Å; F95-I99 HydrophobicContact CE1-CG1 4.23Å; F95-I99 HydrophobicContact CE1-CG2 4.49Å; F95-I99 HydrophobicContact CE2-CG2 3.96Å; F95-I99 HydrophobicContact CZ-CD1 3.81Å; F95-I99 HydrophobicContact CZ-CG2 4.09Å; F95-I99 WeakPolarHBondContact O-CG1 3.23Å; F95-I99 PolarHBondContact O-N 2.78Å; L96-I99 HydrophobicContact CD2-CD1 4.34Å; I99-Q101 PolarHBondContact O-N 2.66Å; I99-W102 HydrophobicContact CG2-CE3 4.21Å; I99-W102 HydrophobicContact CG2-CZ3 4.38Å; I99-W102 PolarHBondContact O-N 2.7Å; I99-Y103 HydrophobicContact CB-CD2 4.28Å; I99-Y103 PolarHBondContact O-N 3.07Å; I99-L105 HydrophobicContact CB-CD2 4.47Å; I99-L105 HydrophobicContact CD1-CD1 4.19Å; I99-L105 HydrophobicContact CD1-CD2 3.66Å; I99-L105 HydrophobicContact CG1-CD1 4.07Å; I99-L105 HydrophobicContact CG1-CD2 3.9Å; I99-L196 HydrophobicContact CG2-CD2 3.82Å; I99-L199 HydrophobicContact CG2-CD1 3.85Å
100	S	97.8	Very high	97.5	Very high	23 Å²	23	26 Å²	26	16%	0.161	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-13.8	174.4	68.6	0	0	0	0	113.5	R39 L96 N97 V98	R39-S100 PolarHBondContact NH2-O 2.98Å; L96-S100 WeakPolarHBondContact O-CB 3.35Å; L96-S100 PolarHBondContact O-N 2.95Å; L96-S100 PolarHBondContact O-OG 3.16Å; N97-S100 PolarHBondContact O-OG 2.84Å; V98-S100 VanDerWaalsContact C-N 3.28Å; V98-S100 PolarHBondContact O-N 2.79Å
101	Q	95.6	Very high	97.6	Very high	123 Å²	123	26 Å²	26	58%	0.575	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-18.6	171	-60.6	173.2	49.6	0	0	111.9	N97 V98 I99	N97-Q101 PolarHBondContact O-NE2 2.63Å; V98-Q101 WeakPolarHBondContact O-CB 3.33Å; V98-Q101 PolarHBondContact O-N 2.77Å; V98-Q101 VanDerWaalsContact O-N 3.1Å; I99-Q101 PolarHBondContact O-N 2.66Å
102	W	96.6	Very high	97.6	Very high	19 Å²	19	27.5 Å²	27.5	7%	0.072	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-36.2	-172.7	-57.7	-17	0	0	0	112.5	Y21 V98 I99 L196 L199 D200 R203	Y21-W102 AromaticContact CE1-CH2 3.74Å; Y21-W102 HydrophobicContact CE1-CH2 3.74Å; Y21-W102 HydrophobicContact CE1-CZ2 4.13Å; Y21-W102 AromaticContact CZ-CH2 3.92Å; V98-W102 HydrophobicContact CG1-CD2 4.25Å; V98-W102 HydrophobicContact CG1-CE3 4.19Å; V98-W102 HydrophobicContact CG1-CH2 3.25Å; V98-W102 HydrophobicContact CG1-CZ2 3.27Å; V98-W102 HydrophobicContact CG1-CZ3 3.73Å; I99-W102 HydrophobicContact CG2-CE3 4.21Å; I99-W102 HydrophobicContact CG2-CZ3 4.38Å; I99-W102 PolarHBondContact O-N 2.7Å; W102-L196 HydrophobicContact CH2-CD2 4.36Å; W102-L196 HydrophobicContact CZ3-CD2 4.08Å; W102-L199 HydrophobicContact CE3-CB 4.34Å; W102-L199 HydrophobicContact CZ3-CB 4.06Å; W102-D200 HydrophobicContact CH2-CB 3.79Å; W102-D200 HydrophobicContact CZ2-CB 4.3Å; W102-D200 HydrophobicContact CZ3-CB 4.02Å; W102-R203 HydrophobicContact CB-CG 4.08Å; W102-R203 HydrophobicContact CG-CG 4.33Å
103	Y	98.3	Very high	97.6	Very high	2 Å²	2	32 Å²	32	1%	0.008	16%	0.163	C	C	.	.	S	Bend	trans	-127.5	150.6	-168.7	-62.3	-67.8	0	0	0	111.4	R39 K40 M42 I99 F161 L199 L202 R203	R39-Y103 VanDerWaalsContact NE-C 3.35Å; R39-Y103 PolarHBondContact NH2-O 2.84Å; K40-Y103 HydrophobicContact CB-CD1 3.71Å; K40-Y103 HydrophobicContact CB-CE1 3.77Å; K40-Y103 HydrophobicContact CD-CE1 4.16Å; K40-Y103 WeakPolarHBondContact O-CA 3.38Å; M42-Y103 HydrophobicContact CB-CD2 4.43Å; M42-Y103 HydrophobicContact CB-CG 4.01Å; M42-Y103 HydrophobicContact SD-CD2 4.28Å; I99-Y103 HydrophobicContact CB-CD2 4.28Å; I99-Y103 PolarHBondContact O-N 3.07Å; Y103-F161 AromaticContact CD1-CE1 3.86Å; Y103-F161 HydrophobicContact CD1-CE1 3.86Å; Y103-F161 AromaticContact CD1-CZ 3.94Å; Y103-F161 HydrophobicContact CD1-CZ 3.94Å; Y103-F161 HydrophobicContact CD2-CZ 4.32Å; Y103-F161 AromaticContact CE1-CE1 3.55Å; Y103-F161 HydrophobicContact CE1-CE1 3.55Å; Y103-F161 AromaticContact CE1-CZ 3.63Å; Y103-F161 HydrophobicContact CE1-CZ 3.63Å; Y103-F161 HydrophobicContact CE2-CZ 4.04Å; Y103-F161 HydrophobicContact CG-CZ 4.28Å; Y103-F161 AromaticContact CZ-CZ 3.68Å; Y103-L199 HydrophobicContact CE2-CB 4.24Å; Y103-L199 WeakPolarHBondContact CE2-O 3.4Å; Y103-L199 PolarHBondContact OH-O 2.87Å; Y103-L202 VanDerWaalsContact OH-CB 3.28Å; Y103-L202 WeakPolarHBondContact OH-CB 3.45Å; Y103-R203 HydrophobicContact CE2-CG 4.47Å; Y103-R203 PolarHBondContact OH-N 2.97Å
104	E	98.2	Very high	97.5	Very high	78 Å²	78	33.6 Å²	33.6	36%	0.364	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	126.5	156.4	-178.8	-171.4	146.7	0	0	107.3	K40 V41 M42 R132	K40-E104 PolarHBondContact O-N 2.9Å; V41-E104 CarbonylContact C-O 3.12Å; V41-E104 WeakPolarHBondContact CA-O 3.41Å; V41-E104 HydrophobicContact CG2-CB 4.3Å; M42-E104 PolarHBondContact N-O 2.77Å; E104-R132 WeakPolarHBondContact OE1-CD 3.36Å; E104-R132 IonicContact OE1-CZ 3.96Å; E104-R132 IonicContact OE1-NH1 3.77Å; E104-R132 PolarHBondContact OE1-NH1 3.45Å
105	L	98.8	Very high	97.5	Very high	7 Å²	7	30.2 Å²	30.2	4%	0.037	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	134.1	-177.3	-52.6	-175.7	0	0	0	110.4	M42 L44 L96 I99 I129 L130	M42-L105 HydrophobicContact CB-CD2 4.11Å; M42-L105 WeakPolarHBondContact O-CA 3.45Å; L44-L105 HydrophobicContact CD1-CB 4.38Å; L44-L105 HydrophobicContact CD1-CD1 4.38Å; L44-L105 HydrophobicContact CD1-CD2 4.4Å; L96-L105 HydrophobicContact CD2-CD1 4.27Å; I99-L105 HydrophobicContact CB-CD2 4.47Å; I99-L105 HydrophobicContact CD1-CD1 4.19Å; I99-L105 HydrophobicContact CD1-CD2 3.66Å; I99-L105 HydrophobicContact CG1-CD1 4.07Å; I99-L105 HydrophobicContact CG1-CD2 3.9Å; L105-I129 HydrophobicContact CD1-CB 4.49Å; L105-I129 HydrophobicContact CD1-CD1 4.24Å; L105-L130 HydrophobicContact CB-CD2 3.84Å; L105-L130 HydrophobicContact CD1-CD2 3.93Å
106	V	98.8	Very high	97.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	123.8	176.6	177.7	0	0	0	0	108.9	V41 M42 V43 L44 R132 F134 I153	V41-V106 HydrophobicContact CG1-CB 4.3Å; V41-V106 HydrophobicContact CG1-CG2 3.52Å; M42-V106 PolarHBondContact O-N 2.88Å; V43-V106 CarbonylContact C-O 3.58Å; V43-V106 WeakPolarHBondContact CA-O 3.15Å; V43-V106 HydrophobicContact CG2-CB 4.45Å; L44-V106 PolarHBondContact N-O 3.24Å; V106-R132 WeakPolarHBondContact CA-O 3.37Å; V106-R132 HydrophobicContact CG1-CG 4.32Å; V106-R132 HydrophobicContact CG2-CB 4.15Å; V106-R132 HydrophobicContact CG2-CG 4.04Å; V106-F134 HydrophobicContact CG1-CD2 3.61Å; V106-F134 HydrophobicContact CG1-CE2 3.83Å; V106-I153 HydrophobicContact CG1-CD1 3.84Å; V106-I153 HydrophobicContact CG1-CG1 4.37Å; V106-I153 HydrophobicContact CG2-CG2 4.24Å
107	I	98.8	Very high	97.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	129	167.7	-64.8	-52.8	0	0	0	108.3	L44 L46 L50 T109 T120 L130 R132 R133 F134	L44-I107 HydrophobicContact CB-CD1 4.01Å; L46-I107 HydrophobicContact CD1-CG2 3.91Å; L46-I107 HydrophobicContact CD2-CD1 3.77Å; L46-I107 HydrophobicContact CD2-CG1 4.38Å; L46-I107 HydrophobicContact CD2-CG2 4Å; L46-I107 HydrophobicContact CG-CG2 3.79Å; L50-I107 HydrophobicContact CD1-CD1 4.47Å; I107-T109 HydrophobicContact CG2-CG2 4.36Å; I107-T120 HydrophobicContact CG1-CG2 3.77Å; I107-L130 HydrophobicContact CD1-CD1 4.12Å; I107-L130 HydrophobicContact CD1-CD2 3.86Å; I107-L130 HydrophobicContact CD1-CG 4.42Å; I107-L130 HydrophobicContact CG1-CB 4.15Å; I107-L130 HydrophobicContact CG1-CD1 4.38Å; I107-L130 HydrophobicContact CG1-CD2 4.17Å; I107-L130 HydrophobicContact CG1-CG 4.46Å; I107-R132 PolarHBondContact N-O 2.88Å; I107-R133 HydrophobicContact CB-CB 4.49Å; I107-R133 HydrophobicContact CB-CG 4.29Å; I107-R133 CarbonylContact O-C 3.54Å; I107-R133 WeakPolarHBondContact O-CA 3.41Å; I107-F134 PolarHBondContact O-N 3.18Å
108	Y	98.7	Very high	97.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	105	168.4	-161.8	164	0	0	0	108	V43 L44 F134 H138 C139 K148 N149 I153	V43-Y108 HydrophobicContact CG1-CD1 4.1Å; V43-Y108 HydrophobicContact CG1-CG 4.28Å; L44-Y108 PolarHBondContact O-N 2.9Å; Y108-F134 CarbonylContact C-O 3.59Å; Y108-F134 VanDerWaalsContact CA-O 3.26Å; Y108-F134 WeakPolarHBondContact CA-O 3.26Å; Y108-F134 HydrophobicContact CD1-CB 4.18Å; Y108-F134 HydrophobicContact CD2-CB 3.42Å; Y108-F134 VanDerWaalsContact CD2-CB 3.42Å; Y108-F134 HydrophobicContact CE1-CB 4.45Å; Y108-F134 HydrophobicContact CE2-CB 3.75Å; Y108-F134 HydrophobicContact CG-CB 3.66Å; Y108-F134 HydrophobicContact CG-CG 4.45Å; Y108-H138 HydrophobicContact CE2-CB 4.16Å; Y108-H138 PolarHBondContact OH-O 3.37Å; Y108-C139 VanDerWaalsContact CE2-SG 3.56Å; Y108-K148 HydrophobicContact CD1-CB 3.69Å; Y108-K148 HydrophobicContact CD1-CD 4.23Å; Y108-K148 HydrophobicContact CD1-CG 4.05Å; Y108-K148 HydrophobicContact CD2-CB 4.31Å; Y108-K148 HydrophobicContact CD2-CD 4.01Å; Y108-K148 HydrophobicContact CD2-CG 3.81Å; Y108-K148 HydrophobicContact CE1-CB 3.47Å; Y108-K148 VanDerWaalsContact CE1-CB 3.47Å; Y108-K148 HydrophobicContact CE1-CG 4.07Å; Y108-K148 HydrophobicContact CE2-CB 4.13Å; Y108-K148 HydrophobicContact CE2-CG 3.82Å; Y108-K148 HydrophobicContact CG-CB 4.11Å; Y108-K148 HydrophobicContact CG-CD 3.85Å; Y108-K148 HydrophobicContact CG-CG 3.94Å; Y108-K148 WeakPolarHBondContact O-CE 3.33Å; Y108-K148 PolarHBondContact O-NZ 3.38Å; Y108-K148 WeakPolarHBondContact OH-CA 3.5Å; Y108-N149 PolarHBondContact OH-N 3.23Å; Y108-N149 VanDerWaalsContact OH-N 3.08Å; Y108-I153 HydrophobicContact CD1-CD1 3.83Å; Y108-I153 HydrophobicContact CE1-CD1 4.37Å
109	T	98.5	Very high	97.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	16%	0.155	C	C	.	.			trans	-118.1	147.6	-177.2	176.4	0	0	0	0	111.2	L46 I107 S111 F134 Y135 R136	L46-T109 HydrophobicContact CD1-CG2 3.92Å; L46-T109 HydrophobicContact CG-CG2 4.49Å; I107-T109 HydrophobicContact CG2-CG2 4.36Å; T109-S111 PolarHBondContact O-N 3.35Å; T109-S111 WeakPolarHBondContact OG1-CB 3.37Å; T109-S111 PolarHBondContact OG1-N 2.65Å; T109-S111 PolarHBondContact OG1-OG 2.81Å; T109-F134 PolarHBondContact N-O 2.65Å; T109-Y135 HydrophobicContact CG2-CD1 3.72Å; T109-Y135 HydrophobicContact CG2-CE1 4.43Å; T109-Y135 CarbonylContact O-C 3.48Å; T109-Y135 VanDerWaalsContact O-CA 3.29Å; T109-Y135 WeakPolarHBondContact O-CA 3.32Å; T109-R136 PolarHBondContact O-N 2.98Å
110	A	97.6	Very high	97.7	Very high	28 Å²	28	28.6 Å²	28.6	23%	0.231	16%	0.155	C	C	.	.	S	Bend	trans	-81.2	6.5	169.6	0	0	0	0	0	112.9	R136 Y146	A110-R136 WeakPolarHBondContact O-CB 3.37Å; A110-R136 PolarHBondContact O-NE 2.88Å; A110-R136 PolarHBondContact O-NH2 3.17Å; A110-R136 VanDerWaalsContact O-NH2 3.12Å; A110-Y146 HydrophobicContact CB-CD2 4.17Å; A110-Y146 HydrophobicContact CB-CG 4.15Å
111	S	96.7	Very high	97.7	Very high	20 Å²	20	31.8 Å²	31.8	14%	0.14	17%	0.167	C	C	.	.	S	Bend	trans	-86.4	159.8	177.6	-65.9	0	0	0	0	112.6	D47 T109 R136	D47-S111 PolarHBondContact OD2-OG 3.39Å; T109-S111 PolarHBondContact O-N 3.35Å; T109-S111 WeakPolarHBondContact OG1-CB 3.37Å; T109-S111 PolarHBondContact OG1-N 2.65Å; T109-S111 PolarHBondContact OG1-OG 2.81Å; S111-R136 WeakPolarHBondContact O-CB 3.4Å; S111-R136 PolarHBondContact O-N 3.31Å
112	L	95.9	Very high	97.8	Very high	70 Å²	70	29.6 Å²	29.6	37%	0.366	16%	0.159	S	C	.	.			trans	-60.5	144.1	175.9	-66.5	176.2	0	0	0	110.5	I114 Y115 G116	L112-I114 VanDerWaalsContact C-N 3.34Å; L112-I114 HydrophobicContact CB-CG2 4.29Å; L112-I114 PolarHBondContact O-N 3.26Å; L112-Y115 PolarHBondContact O-N 3.32Å; L112-G116 PolarHBondContact O-N 3.48Å
113	E	97.7	Very high	97.9	Very high	95 Å²	95	28.8 Å²	28.8	44%	0.444	16%	0.156	S	C	.	.	H	α-helix	trans	-56.2	-44.9	-179	173.4	161.6	-167.8	0	0	113.2	Y115 G116 A117 Y135 Q137	E113-Y115 PolarHBondContact O-N 3.29Å; E113-G116 PolarHBondContact O-N 3.2Å; E113-A117 WeakPolarHBondContact O-CB 3.25Å; E113-A117 PolarHBondContact O-N 2.97Å; E113-Y135 HydrophobicContact CB-CD1 4.26Å; E113-Y135 HydrophobicContact CB-CD2 3.59Å; E113-Y135 HydrophobicContact CB-CE2 4.08Å; E113-Y135 HydrophobicContact CB-CG 3.68Å; E113-Y135 HydrophobicContact CG-CD2 3.48Å; E113-Y135 VanDerWaalsContact CG-CD2 3.48Å; E113-Y135 HydrophobicContact CG-CE1 4.5Å; E113-Y135 HydrophobicContact CG-CE2 3.46Å; E113-Y135 VanDerWaalsContact CG-CE2 3.46Å; E113-Y135 HydrophobicContact CG-CG 4.03Å; E113-Q137 PolarHBondContact OE2-NE2 3.35Å
114	I	96.5	Very high	97.8	Very high	79 Å²	79	28.8 Å²	28.8	41%	0.405	16%	0.156	S	C	.	.	H	α-helix	trans	-56.1	-38.8	-179.8	-166.5	174.6	0	0	0	112.7	V75 F76 I77 L112	V75-I114 HydrophobicContact CB-CD1 4.04Å; V75-I114 HydrophobicContact CB-CG1 4.01Å; V75-I114 HydrophobicContact CG1-CG1 4Å; F76-I114 WeakPolarHBondContact O-CD1 3.47Å; I77-I114 HydrophobicContact CG1-CG2 4.36Å; L112-I114 VanDerWaalsContact C-N 3.34Å; L112-I114 HydrophobicContact CB-CG2 4.29Å; L112-I114 PolarHBondContact O-N 3.26Å
115	Y	96.5	Very high	97.8	Very high	13 Å²	13	31.5 Å²	31.5	5%	0.051	17%	0.173	C	C	.	.	H	α-helix	trans	-77.4	-51.9	175.7	164.5	-93.6	0	0	0	111	D47 I51 S53 L73 F84 L112 E113 A117 G118 V119	D47-Y115 WeakPolarHBondContact OD1-CE1 3.48Å; D47-Y115 PolarHBondContact OD1-OH 2.72Å; D47-Y115 WeakPolarHBondContact OD2-CE1 3.29Å; I51-Y115 WeakPolarHBondContact CD1-OH 3.46Å; S53-Y115 WeakPolarHBondContact CB-OH 3.24Å; S53-Y115 PolarHBondContact OG-OH 2.99Å; L73-Y115 HydrophobicContact CD2-CD2 3.91Å; L73-Y115 HydrophobicContact CD2-CE2 4.39Å; F84-Y115 HydrophobicContact CB-CE2 4.23Å; F84-Y115 AromaticContact CD1-CD2 3.83Å; F84-Y115 HydrophobicContact CD1-CD2 3.83Å; F84-Y115 AromaticContact CD1-CE2 3.59Å; F84-Y115 HydrophobicContact CD1-CE2 3.59Å; F84-Y115 AromaticContact CD2-CD2 3.98Å; F84-Y115 HydrophobicContact CD2-CD2 3.98Å; F84-Y115 HydrophobicContact CD2-CE2 4.38Å; F84-Y115 AromaticContact CE1-CD2 3.88Å; F84-Y115 HydrophobicContact CE1-CD2 3.88Å; F84-Y115 AromaticContact CE1-CE2 3.99Å; F84-Y115 HydrophobicContact CE1-CE2 3.99Å; F84-Y115 HydrophobicContact CE2-CD2 4.05Å; F84-Y115 AromaticContact CG-CD2 3.88Å; F84-Y115 HydrophobicContact CG-CD2 3.88Å; F84-Y115 AromaticContact CG-CE2 3.82Å; F84-Y115 HydrophobicContact CG-CE2 3.82Å; F84-Y115 AromaticContact CZ-CD2 4Å; F84-Y115 HydrophobicContact CZ-CD2 4Å; L112-Y115 PolarHBondContact O-N 3.32Å; E113-Y115 PolarHBondContact O-N 3.29Å; Y115-A117 VanDerWaalsContact C-N 3.34Å; Y115-A117 PolarHBondContact O-N 3.12Å; Y115-G118 PolarHBondContact O-N 3.42Å; Y115-V119 HydrophobicContact CD1-CG2 4.45Å; Y115-V119 HydrophobicContact CD2-CG2 3.98Å; Y115-V119 HydrophobicContact CE1-CG2 4.05Å; Y115-V119 HydrophobicContact CE2-CG2 3.48Å; Y115-V119 VanDerWaalsContact CE2-CG2 3.48Å; Y115-V119 HydrophobicContact CG-CG2 4.44Å; Y115-V119 WeakPolarHBondContact O-CG2 3.49Å; Y115-V119 PolarHBondContact O-N 3.19Å
116	G	97.9	Very high	97.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.5	-40.5	-174.5	0	0	0	0	0	112.8	L112 E113 T120	L112-G116 PolarHBondContact O-N 3.48Å; E113-G116 PolarHBondContact O-N 3.2Å; G116-T120 VanDerWaalsContact O-CB 3.27Å; G116-T120 WeakPolarHBondContact O-CB 3.15Å; G116-T120 PolarHBondContact O-N 3.21Å; G116-T120 PolarHBondContact O-OG1 2.75Å
117	A	97.9	Very high	97.7	Very high	26 Å²	26	36.4 Å²	36.4	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-47.6	174.6	0	0	0	0	0	111.5	E113 Y115 T120 E121 Y135	E113-A117 WeakPolarHBondContact O-CB 3.25Å; E113-A117 PolarHBondContact O-N 2.97Å; Y115-A117 VanDerWaalsContact C-N 3.34Å; Y115-A117 PolarHBondContact O-N 3.12Å; A117-T120 PolarHBondContact O-N 2.76Å; A117-E121 WeakPolarHBondContact O-CB 3.42Å; A117-E121 PolarHBondContact O-N 3.04Å; A117-Y135 HydrophobicContact CB-CE1 4.42Å; A117-Y135 WeakPolarHBondContact CB-OH 3.48Å
118	G	97.7	Very high	97.6	Very high	17 Å²	17	42.1 Å²	42.1	18%	0.175	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-43.6	179	0	0	0	0	0	113.1	Y115 E121 L122	Y115-G118 PolarHBondContact O-N 3.42Å; G118-E121 PolarHBondContact O-N 3.44Å; G118-L122 WeakPolarHBondContact O-CG 3.26Å; G118-L122 PolarHBondContact O-N 2.69Å
119	V	98	Very high	97.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-45.7	175.5	172.9	0	0	0	0	111.1	I51 F71 L73 V86 Y115 E121 L122 L123	I51-V119 HydrophobicContact CD1-CG1 3.96Å; I51-V119 HydrophobicContact CG1-CG1 3.91Å; F71-V119 HydrophobicContact CE2-CG1 4.48Å; F71-V119 HydrophobicContact CZ-CG1 4.27Å; L73-V119 HydrophobicContact CD2-CG2 3.67Å; V86-V119 HydrophobicContact CG2-CG2 4.33Å; Y115-V119 HydrophobicContact CD1-CG2 4.45Å; Y115-V119 HydrophobicContact CD2-CG2 3.98Å; Y115-V119 HydrophobicContact CE1-CG2 4.05Å; Y115-V119 HydrophobicContact CE2-CG2 3.48Å; Y115-V119 VanDerWaalsContact CE2-CG2 3.48Å; Y115-V119 HydrophobicContact CG-CG2 4.44Å; Y115-V119 WeakPolarHBondContact O-CG2 3.49Å; Y115-V119 PolarHBondContact O-N 3.19Å; V119-E121 VanDerWaalsContact C-N 3.31Å; V119-E121 PolarHBondContact O-N 2.65Å; V119-L122 PolarHBondContact O-N 3.02Å; V119-L123 VanDerWaalsContact O-CB 3.24Å; V119-L123 WeakPolarHBondContact O-CB 3.39Å; V119-L123 PolarHBondContact O-N 3.21Å
120	T	98.5	Very high	97.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-41.2	-179.7	-58.6	0	0	0	0	111.1	I107 G116 A117 L123 D124 L130	I107-T120 HydrophobicContact CG1-CG2 3.77Å; G116-T120 VanDerWaalsContact O-CB 3.27Å; G116-T120 WeakPolarHBondContact O-CB 3.15Å; G116-T120 PolarHBondContact O-N 3.21Å; G116-T120 PolarHBondContact O-OG1 2.75Å; A117-T120 PolarHBondContact O-N 2.76Å; T120-L123 PolarHBondContact O-N 3.04Å; T120-D124 WeakPolarHBondContact O-CB 3.3Å; T120-D124 PolarHBondContact O-N 2.89Å; T120-L130 HydrophobicContact CG2-CB 3.59Å; T120-L130 HydrophobicContact CG2-CD1 3.98Å; T120-L130 HydrophobicContact CG2-CG 4.43Å
121	E	98.1	Very high	97.6	Very high	90 Å²	90	49.2 Å²	49.2	42%	0.421	26%	0.26	S	S	.	.	H	α-helix	trans	-64.4	-47.1	179.8	-164.3	59.1	-148.7	0	0	112.2	A117 G118 V119 L123 D124 N125 R133	A117-E121 WeakPolarHBondContact O-CB 3.42Å; A117-E121 PolarHBondContact O-N 3.04Å; G118-E121 PolarHBondContact O-N 3.44Å; V119-E121 VanDerWaalsContact C-N 3.31Å; V119-E121 PolarHBondContact O-N 2.65Å; E121-L123 VanDerWaalsContact C-N 3.31Å; E121-L123 PolarHBondContact O-N 3.32Å; E121-D124 PolarHBondContact O-N 3.23Å; E121-N125 PolarHBondContact O-N 3.22Å; E121-R133 IonicContact OE2-CZ 2.9Å; E121-R133 IonicContact OE2-NH1 2.65Å; E121-R133 IonicContact OE2-NH2 3.8Å; E121-R133 PolarHBondContact OE2-NH2 3.34Å
122	L	98	Very high	97.7	Very high	77 Å²	77	51.9 Å²	51.9	40%	0.403	27%	0.267	S	S	.	.	H	α-helix	trans	-66.9	-32.5	177.6	-67.6	170.7	0	0	0	112.3	F71 L73 G118 V119	F71-L122 HydrophobicContact CB-CD1 4.49Å; F71-L122 HydrophobicContact CD1-CB 4.3Å; F71-L122 HydrophobicContact CD2-CB 3.79Å; F71-L122 HydrophobicContact CD2-CD1 3.45Å; F71-L122 VanDerWaalsContact CD2-CD1 3.45Å; F71-L122 HydrophobicContact CD2-CG 4.23Å; F71-L122 HydrophobicContact CE1-CB 4.29Å; F71-L122 HydrophobicContact CE2-CB 3.74Å; F71-L122 HydrophobicContact CE2-CD1 3.87Å; F71-L122 HydrophobicContact CE2-CG 4.47Å; F71-L122 HydrophobicContact CG-CB 4.05Å; F71-L122 HydrophobicContact CG-CD1 4.18Å; F71-L122 HydrophobicContact CZ-CB 4.01Å; L73-L122 HydrophobicContact CB-CD1 4.19Å; L73-L122 HydrophobicContact CD1-CD1 4.11Å; G118-L122 WeakPolarHBondContact O-CG 3.26Å; G118-L122 PolarHBondContact O-N 2.69Å; V119-L122 PolarHBondContact O-N 3.02Å
123	L	98	Very high	97.8	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-75.4	-41.3	176	-176.3	64	0	0	0	112.2	L50 I51 K88 V92 L96 V119 T120 E121 N125 R127 L130	L50-L123 HydrophobicContact CB-CD2 4.28Å; L50-L123 HydrophobicContact CD1-CD2 4.12Å; I51-L123 HydrophobicContact CG2-CD1 4.22Å; I51-L123 HydrophobicContact CG2-CD2 4.16Å; K88-L123 HydrophobicContact CD-CD1 3.75Å; K88-L123 HydrophobicContact CG-CD1 4.16Å; V92-L123 HydrophobicContact CG1-CD1 4.14Å; V92-L123 HydrophobicContact CG2-CD1 4.25Å; L96-L123 HydrophobicContact CD1-CD1 4.36Å; L96-L123 HydrophobicContact CD1-CD2 4.11Å; L96-L123 HydrophobicContact CD1-CG 3.98Å; V119-L123 VanDerWaalsContact O-CB 3.24Å; V119-L123 WeakPolarHBondContact O-CB 3.39Å; V119-L123 PolarHBondContact O-N 3.21Å; T120-L123 PolarHBondContact O-N 3.04Å; E121-L123 VanDerWaalsContact C-N 3.31Å; E121-L123 PolarHBondContact O-N 3.32Å; L123-N125 VanDerWaalsContact C-N 3.31Å; L123-R127 PolarHBondContact O-NH2 3.1Å; L123-L130 HydrophobicContact CD2-CD1 4.48Å
124	D	98.1	Very high	97.9	Very high	2 Å²	2	48 Å²	48	1%	0.011	24%	0.244	C	C	.	.	H	α-helix	trans	-66.1	-36.8	177.4	-172.5	75.4	0	0	0	110.8	T120 E121 G126 R127 H128 I129 L130	T120-D124 WeakPolarHBondContact O-CB 3.3Å; T120-D124 PolarHBondContact O-N 2.89Å; E121-D124 PolarHBondContact O-N 3.23Å; D124-G126 VanDerWaalsContact C-N 3.3Å; D124-G126 PolarHBondContact O-N 2.87Å; D124-R127 WeakPolarHBondContact O-CB 3.34Å; D124-R127 VanDerWaalsContact O-CG 3.31Å; D124-R127 WeakPolarHBondContact O-CG 3.47Å; D124-R127 PolarHBondContact O-N 2.8Å; D124-R127 PolarHBondContact O-NE 2.94Å; D124-R127 PolarHBondContact OD2-N 2.94Å; D124-R127 VanDerWaalsContact OD2-N 3.15Å; D124-H128 WeakPolarHBondContact OD2-CA 3.29Å; D124-H128 PolarHBondContact OD2-N 3.5Å; D124-I129 WeakPolarHBondContact OD1-CG1 3.46Å; D124-I129 PolarHBondContact OD1-N 3.1Å; D124-L130 HydrophobicContact CB-CB 4.3Å; D124-L130 HydrophobicContact CB-CD1 4.23Å; D124-L130 HydrophobicContact CB-CG 4.46Å; D124-L130 PolarHBondContact OD1-N 2.93Å
125	N	97.1	Very high	98	Very high	135 Å²	135	44.8 Å²	44.8	72%	0.722	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	45.3	173.5	-171.2	60.2	0	0	0	112.4	E121 L123 R127	E121-N125 PolarHBondContact O-N 3.22Å; L123-N125 VanDerWaalsContact C-N 3.31Å; N125-R127 VanDerWaalsContact C-N 3.32Å; N125-R127 PolarHBondContact O-N 3.15Å
126	G	97.3	Very high	98	Very high	44 Å²	44	48.2 Å²	48.2	45%	0.454	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	15.1	176.1	0	0	0	0	0	115.4	D124 H128	D124-G126 VanDerWaalsContact C-N 3.3Å; D124-G126 PolarHBondContact O-N 2.87Å; G126-H128 VanDerWaalsContact C-N 3.32Å; G126-H128 PolarHBondContact O-CD2 2.93Å
127	R	97.6	Very high	98	Very high	66 Å²	66	53.1 Å²	53.1	25%	0.249	26%	0.263	C	S	.	.			trans	-77.3	-20.8	175.9	-71.3	178.9	-71.3	172.8	-1.8	112.8	D93 N97 L123 D124 N125 I129	D93-R127 PolarHBondContact O-NH1 2.85Å; N97-R127 VanDerWaalsContact OD1-CD 3.23Å; N97-R127 WeakPolarHBondContact OD1-CD 3.3Å; N97-R127 PolarHBondContact OD1-NH1 2.97Å; L123-R127 PolarHBondContact O-NH2 3.1Å; D124-R127 WeakPolarHBondContact O-CB 3.34Å; D124-R127 VanDerWaalsContact O-CG 3.31Å; D124-R127 WeakPolarHBondContact O-CG 3.47Å; D124-R127 PolarHBondContact O-N 2.8Å; D124-R127 PolarHBondContact O-NE 2.94Å; D124-R127 PolarHBondContact OD2-N 2.94Å; D124-R127 VanDerWaalsContact OD2-N 3.15Å; N125-R127 VanDerWaalsContact C-N 3.32Å; N125-R127 PolarHBondContact O-N 3.15Å; R127-I129 HydrophobicContact CB-CD1 4.4Å; R127-I129 HydrophobicContact CB-CG1 3.94Å; R127-I129 HydrophobicContact CB-CG2 4.26Å; R127-I129 PolarHBondContact O-N 3.01Å
128	H	97.7	Very high	98	Very high	121 Å²	121	55.1 Å²	55.1	56%	0.56	27%	0.268	S	S	*	.			trans	57.7	33.4	-176.3	-56.9	-66.5	0	0	0	113.5	D124 G126 Q131	D124-H128 WeakPolarHBondContact OD2-CA 3.29Å; D124-H128 PolarHBondContact OD2-N 3.5Å; G126-H128 VanDerWaalsContact C-N 3.32Å; G126-H128 PolarHBondContact O-CD2 2.93Å; H128-Q131 HydrophobicContact CB-CG 4.39Å
129	I	98.4	Very high	98	Very high	38 Å²	38	55 Å²	55	20%	0.195	27%	0.265	C	S	.	.			trans	-98.1	-17.1	179.2	58	166.5	0	0	0	112.5	L96 L105 D124 R127	L96-I129 HydrophobicContact CB-CD1 4.04Å; L105-I129 HydrophobicContact CD1-CB 4.49Å; L105-I129 HydrophobicContact CD1-CD1 4.24Å; D124-I129 WeakPolarHBondContact OD1-CG1 3.46Å; D124-I129 PolarHBondContact OD1-N 3.1Å; R127-I129 HydrophobicContact CB-CD1 4.4Å; R127-I129 HydrophobicContact CB-CG1 3.94Å; R127-I129 HydrophobicContact CB-CG2 4.26Å; R127-I129 PolarHBondContact O-N 3.01Å
130	L	98.4	Very high	98	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.286	C	S	.	.			trans	-111.2	44.2	-179.9	-59.1	178.7	0	0	0	112.7	L44 L96 L105 I107 T120 L123 D124 R133	L44-L130 HydrophobicContact CD1-CD2 4.24Å; L96-L130 HydrophobicContact CD1-CD1 4.31Å; L96-L130 HydrophobicContact CD2-CD2 4.34Å; L105-L130 HydrophobicContact CB-CD2 3.84Å; L105-L130 HydrophobicContact CD1-CD2 3.93Å; I107-L130 HydrophobicContact CD1-CD1 4.12Å; I107-L130 HydrophobicContact CD1-CD2 3.86Å; I107-L130 HydrophobicContact CD1-CG 4.42Å; I107-L130 HydrophobicContact CG1-CB 4.15Å; I107-L130 HydrophobicContact CG1-CD1 4.38Å; I107-L130 HydrophobicContact CG1-CD2 4.17Å; I107-L130 HydrophobicContact CG1-CG 4.46Å; T120-L130 HydrophobicContact CG2-CB 3.59Å; T120-L130 HydrophobicContact CG2-CD1 3.98Å; T120-L130 HydrophobicContact CG2-CG 4.43Å; L123-L130 HydrophobicContact CD2-CD1 4.48Å; D124-L130 HydrophobicContact CB-CB 4.3Å; D124-L130 HydrophobicContact CB-CD1 4.23Å; D124-L130 HydrophobicContact CB-CG 4.46Å; D124-L130 PolarHBondContact OD1-N 2.93Å; L130-R133 PolarHBondContact O-NE 3.07Å; L130-R133 PolarHBondContact O-NH2 3.37Å
131	Q	97.6	Very high	97.9	Very high	139 Å²	139	65.3 Å²	65.3	65%	0.65	31%	0.313	S	S	*	.			trans	-76	-32.5	-174.1	-68.4	-178.4	-36.5	0	0	113.8	H128	H128-Q131 HydrophobicContact CB-CG 4.39Å
132	R	98.4	Very high	97.6	Very high	76 Å²	76	64.7 Å²	64.7	29%	0.287	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.5	-175.8	-170.4	173.3	165.6	-158.5	3.5	110	E104 V106 I107 F134 I153	E104-R132 WeakPolarHBondContact OE1-CD 3.36Å; E104-R132 IonicContact OE1-CZ 3.96Å; E104-R132 IonicContact OE1-NH1 3.77Å; E104-R132 PolarHBondContact OE1-NH1 3.45Å; V106-R132 WeakPolarHBondContact CA-O 3.37Å; V106-R132 HydrophobicContact CG1-CG 4.32Å; V106-R132 HydrophobicContact CG2-CB 4.15Å; V106-R132 HydrophobicContact CG2-CG 4.04Å; I107-R132 PolarHBondContact N-O 2.88Å; R132-F134 HydrophobicContact CG-CE2 4.23Å; R132-I153 VanDerWaalsContact NH2-C 3.27Å; R132-I153 PolarHBondContact NH2-O 3.27Å
133	R	98.6	Very high	97.1	Very high	59 Å²	59	68 Å²	68	22%	0.223	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	135.9	-163.3	-54.5	175.5	-174.4	174.2	-4.2	111.4	I107 E121 L130 Y135	I107-R133 HydrophobicContact CB-CB 4.49Å; I107-R133 HydrophobicContact CB-CG 4.29Å; I107-R133 CarbonylContact O-C 3.54Å; I107-R133 WeakPolarHBondContact O-CA 3.41Å; E121-R133 IonicContact OE2-CZ 2.9Å; E121-R133 IonicContact OE2-NH1 2.65Å; E121-R133 IonicContact OE2-NH2 3.8Å; E121-R133 PolarHBondContact OE2-NH2 3.34Å; L130-R133 PolarHBondContact O-NE 3.07Å; L130-R133 PolarHBondContact O-NH2 3.37Å; R133-Y135 HydrophobicContact CB-CE1 4.21Å; R133-Y135 HydrophobicContact CB-CE2 4.01Å; R133-Y135 WeakPolarHBondContact CB-OH 3.33Å; R133-Y135 WeakPolarHBondContact CD-OH 3.15Å
134	F	98.7	Very high	96.8	Very high	25 Å²	25	70.6 Å²	70.6	11%	0.11	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.7	174.3	-66.9	-102.8	0	0	0	108.4	V106 I107 Y108 T109 R132 H138 L152 I153	V106-F134 HydrophobicContact CG1-CD2 3.61Å; V106-F134 HydrophobicContact CG1-CE2 3.83Å; I107-F134 PolarHBondContact O-N 3.18Å; Y108-F134 CarbonylContact C-O 3.59Å; Y108-F134 VanDerWaalsContact CA-O 3.26Å; Y108-F134 WeakPolarHBondContact CA-O 3.26Å; Y108-F134 HydrophobicContact CD1-CB 4.18Å; Y108-F134 HydrophobicContact CD2-CB 3.42Å; Y108-F134 VanDerWaalsContact CD2-CB 3.42Å; Y108-F134 HydrophobicContact CE1-CB 4.45Å; Y108-F134 HydrophobicContact CE2-CB 3.75Å; Y108-F134 HydrophobicContact CG-CB 3.66Å; Y108-F134 HydrophobicContact CG-CG 4.45Å; T109-F134 PolarHBondContact N-O 2.65Å; R132-F134 HydrophobicContact CG-CE2 4.23Å; F134-H138 HydrophobicContact CB-CB 4.22Å; F134-H138 HydrophobicContact CD1-CB 3.89Å; F134-H138 AromaticContact CD1-CD2 3.93Å; F134-H138 AromaticContact CD1-CG 3.8Å; F134-L152 HydrophobicContact CE1-CB 4.08Å; F134-I153 HydrophobicContact CD2-CD1 4.42Å; F134-I153 HydrophobicContact CD2-CG1 4.19Å; F134-I153 HydrophobicContact CE1-CG1 4.49Å; F134-I153 HydrophobicContact CE2-CD1 4.36Å; F134-I153 HydrophobicContact CE2-CG1 3.7Å; F134-I153 HydrophobicContact CZ-CG1 3.87Å
135	Y	98.5	Very high	96.5	Very high	11 Å²	11	72.5 Å²	72.5	4%	0.043	37%	0.371	C	S	.	.			trans	-119	-175	-176.3	-50.6	-72.2	0	0	0	111.8	T109 E113 A117 R133 Q137 H138	T109-Y135 HydrophobicContact CG2-CD1 3.72Å; T109-Y135 HydrophobicContact CG2-CE1 4.43Å; T109-Y135 CarbonylContact O-C 3.48Å; T109-Y135 VanDerWaalsContact O-CA 3.29Å; T109-Y135 WeakPolarHBondContact O-CA 3.32Å; E113-Y135 HydrophobicContact CB-CD1 4.26Å; E113-Y135 HydrophobicContact CB-CD2 3.59Å; E113-Y135 HydrophobicContact CB-CE2 4.08Å; E113-Y135 HydrophobicContact CB-CG 3.68Å; E113-Y135 HydrophobicContact CG-CD2 3.48Å; E113-Y135 VanDerWaalsContact CG-CD2 3.48Å; E113-Y135 HydrophobicContact CG-CE1 4.5Å; E113-Y135 HydrophobicContact CG-CE2 3.46Å; E113-Y135 VanDerWaalsContact CG-CE2 3.46Å; E113-Y135 HydrophobicContact CG-CG 4.03Å; A117-Y135 HydrophobicContact CB-CE1 4.42Å; A117-Y135 WeakPolarHBondContact CB-OH 3.48Å; R133-Y135 HydrophobicContact CB-CE1 4.21Å; R133-Y135 HydrophobicContact CB-CE2 4.01Å; R133-Y135 WeakPolarHBondContact CB-OH 3.33Å; R133-Y135 WeakPolarHBondContact CD-OH 3.15Å; Y135-Q137 VanDerWaalsContact C-N 3.25Å; Y135-Q137 VanDerWaalsContact CB-OE1 3.3Å; Y135-Q137 PolarHBondContact O-N 3.18Å; Y135-Q137 VanDerWaalsContact O-N 3.09Å; Y135-H138 PolarHBondContact N-ND1 3.2Å; Y135-H138 WeakPolarHBondContact O-CB 3.48Å; Y135-H138 PolarHBondContact O-N 2.85Å; Y135-H138 PolarHBondContact O-ND1 2.77Å
136	R	97.9	Very high	96.5	Very high	85 Å²	85	69.8 Å²	69.8	32%	0.321	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-45.7	-42.8	-179.3	-176	176	-67.5	166.3	2.5	114.6	T109 A110 S111 H138 C139 Y146	T109-R136 PolarHBondContact O-N 2.98Å; A110-R136 WeakPolarHBondContact O-CB 3.37Å; A110-R136 PolarHBondContact O-NE 2.88Å; A110-R136 PolarHBondContact O-NH2 3.17Å; A110-R136 VanDerWaalsContact O-NH2 3.12Å; S111-R136 WeakPolarHBondContact O-CB 3.4Å; S111-R136 PolarHBondContact O-N 3.31Å; R136-H138 PolarHBondContact O-N 2.79Å; R136-H138 VanDerWaalsContact O-N 3.16Å; R136-C139 WeakPolarHBondContact O-CB 3.43Å; R136-C139 PolarHBondContact O-N 3.4Å; R136-Y146 WeakPolarHBondContact CD-OH 3.18Å; R136-Y146 HydrophobicContact CG-CD1 4.25Å; R136-Y146 HydrophobicContact CG-CE1 3.59Å
137	Q	97.6	Very high	96.5	Very high	104 Å²	104	67.9 Å²	67.9	49%	0.486	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-65	-17.1	-178.7	70.3	-85.7	15.1	0	0	114	E113 Y135	E113-Q137 PolarHBondContact OE2-NE2 3.35Å; Y135-Q137 VanDerWaalsContact C-N 3.25Å; Y135-Q137 VanDerWaalsContact CB-OE1 3.3Å; Y135-Q137 PolarHBondContact O-N 3.18Å; Y135-Q137 VanDerWaalsContact O-N 3.09Å
138	H	98.2	Very high	96.6	Very high	67 Å²	67	65 Å²	65	31%	0.31	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-93	-8.6	175.1	-50.1	94.3	0	0	0	112.4	Y108 F134 Y135 R136	Y108-H138 HydrophobicContact CE2-CB 4.16Å; Y108-H138 PolarHBondContact OH-O 3.37Å; F134-H138 HydrophobicContact CB-CB 4.22Å; F134-H138 HydrophobicContact CD1-CB 3.89Å; F134-H138 AromaticContact CD1-CD2 3.93Å; F134-H138 AromaticContact CD1-CG 3.8Å; Y135-H138 PolarHBondContact N-ND1 3.2Å; Y135-H138 WeakPolarHBondContact O-CB 3.48Å; Y135-H138 PolarHBondContact O-N 2.85Å; Y135-H138 PolarHBondContact O-ND1 2.77Å; R136-H138 PolarHBondContact O-N 2.79Å; R136-H138 VanDerWaalsContact O-N 3.16Å
139	C	98	Very high	96.6	Very high	16 Å²	16	61.2 Å²	61.2	11%	0.108	30%	0.304	C	S	.	.	S	Bend	trans	-78.6	152.8	175.7	-65.2	0	0	0	0	110.6	Y108 R136 Y146 S147	Y108-C139 VanDerWaalsContact CE2-SG 3.56Å; R136-C139 WeakPolarHBondContact O-CB 3.43Å; R136-C139 PolarHBondContact O-N 3.4Å; C139-Y146 HydrophobicContact CB-CD1 3.61Å; C139-Y146 HydrophobicContact CB-CG 4.18Å; C139-S147 CarbonylContact C-O 3.58Å; C139-S147 WeakPolarHBondContact CA-O 3.47Å; C139-S147 WeakPolarHBondContact CB-O 3.44Å
140	T	97.1	Very high	96.6	Very high	74 Å²	74	59.4 Å²	59.4	45%	0.454	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	118.8	164.8	-53.3	0	0	0	0	108.6	Y146 S147	T140-Y146 WeakPolarHBondContact O-CA 2.97Å; T140-S147 PolarHBondContact N-O 2.54Å; T140-S147 PolarHBondContact O-N 3.34Å; T140-S147 PolarHBondContact O-OG 2.75Å
141	Y	96.2	Very high	96.5	Very high	141 Å²	141	62.3 Å²	62.3	55%	0.553	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	118.3	173.7	-175.2	-108.2	0	0	0	109.6	Y146	Y141-Y146 AromaticContact CD2-CD1 3.87Å; Y141-Y146 HydrophobicContact CD2-CD1 3.87Å; Y141-Y146 HydrophobicContact CD2-CD2 4.1Å; Y141-Y146 AromaticContact CD2-CE1 3.64Å; Y141-Y146 HydrophobicContact CD2-CE1 3.64Å; Y141-Y146 AromaticContact CD2-CE2 3.85Å; Y141-Y146 HydrophobicContact CD2-CE2 3.85Å; Y141-Y146 HydrophobicContact CD2-CG 4.11Å; Y141-Y146 AromaticContact CD2-CZ 3.61Å; Y141-Y146 HydrophobicContact CE2-CE2 4.1Å; Y141-Y146 HydrophobicContact CG-CD1 4.41Å; Y141-Y146 HydrophobicContact CG-CE1 4.08Å
142	D	91.4	Very high	96.5	Very high	77 Å²	77	59.9 Å²	59.9	41%	0.412	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	146.5	176.4	174.7	44.7	0	0	0	110	G144 S145	D142-G144 PolarHBondContact O-N 2.73Å; D142-G144 VanDerWaalsContact O-N 3.16Å; D142-S145 PolarHBondContact N-O 2.88Å; D142-S145 VanDerWaalsContact N-O 3.07Å; D142-S145 PolarHBondContact O-N 2.7Å; D142-S145 PolarHBondContact O-OG 3.06Å
143	N	89	Confident	96.5	Very high	146 Å²	146	56.8 Å²	56.8	78%	0.781	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.6	46.1	-178.5	-66.3	-40.3	0	0	0	113.6	S145	N143-S145 PolarHBondContact O-N 2.93Å
144	G	90.2	Very high	96.4	Very high	57 Å²	57	54.8 Å²	54.8	59%	0.588	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	4.3	177.9	0	0	0	0	0	115.4	D142	D142-G144 PolarHBondContact O-N 2.73Å; D142-G144 VanDerWaalsContact O-N 3.16Å
145	S	93.1	Very high	96.3	Very high	41 Å²	41	59.2 Å²	59.2	29%	0.287	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.2	-174.2	69.3	0	0	0	0	113.5	D142 N143 R171	D142-S145 PolarHBondContact N-O 2.88Å; D142-S145 VanDerWaalsContact N-O 3.07Å; D142-S145 PolarHBondContact O-N 2.7Å; D142-S145 PolarHBondContact O-OG 3.06Å; N143-S145 PolarHBondContact O-N 2.93Å; S145-R171 PolarHBondContact O-NH1 2.92Å; S145-R171 VanDerWaalsContact O-NH1 3.1Å; S145-R171 PolarHBondContact OG-NH1 2.99Å
146	Y	97.3	Very high	96.3	Very high	78 Å²	78	61 Å²	61	31%	0.306	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.6	174.4	-67.5	-80.1	0	0	0	110.6	A110 R136 C139 T140 Y141 A169	A110-Y146 HydrophobicContact CB-CD2 4.17Å; A110-Y146 HydrophobicContact CB-CG 4.15Å; R136-Y146 WeakPolarHBondContact CD-OH 3.18Å; R136-Y146 HydrophobicContact CG-CD1 4.25Å; R136-Y146 HydrophobicContact CG-CE1 3.59Å; C139-Y146 HydrophobicContact CB-CD1 3.61Å; C139-Y146 HydrophobicContact CB-CG 4.18Å; T140-Y146 WeakPolarHBondContact O-CA 2.97Å; Y141-Y146 AromaticContact CD2-CD1 3.87Å; Y141-Y146 HydrophobicContact CD2-CD1 3.87Å; Y141-Y146 HydrophobicContact CD2-CD2 4.1Å; Y141-Y146 AromaticContact CD2-CE1 3.64Å; Y141-Y146 HydrophobicContact CD2-CE1 3.64Å; Y141-Y146 AromaticContact CD2-CE2 3.85Å; Y141-Y146 HydrophobicContact CD2-CE2 3.85Å; Y141-Y146 HydrophobicContact CD2-CG 4.11Å; Y141-Y146 AromaticContact CD2-CZ 3.61Å; Y141-Y146 HydrophobicContact CE2-CE2 4.1Å; Y141-Y146 HydrophobicContact CG-CD1 4.41Å; Y141-Y146 HydrophobicContact CG-CE1 4.08Å; Y146-A169 WeakPolarHBondContact O-CA 3.38Å
147	S	97.7	Very high	96.3	Very high	5 Å²	5	58.5 Å²	58.5	4%	0.035	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	150.7	165	57.9	0	0	0	0	112.3	C139 T140 A169 R171	C139-S147 CarbonylContact C-O 3.58Å; C139-S147 WeakPolarHBondContact CA-O 3.47Å; C139-S147 WeakPolarHBondContact CB-O 3.44Å; T140-S147 PolarHBondContact N-O 2.54Å; T140-S147 PolarHBondContact O-N 3.34Å; T140-S147 PolarHBondContact O-OG 2.75Å; S147-A169 WeakPolarHBondContact CA-O 3.28Å; S147-R171 PolarHBondContact OG-NH2 2.91Å
148	K	98.4	Very high	96.3	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.017	31%	0.311	C	S	.	.			trans	-103.9	115.2	-177	-65	177.1	-175.4	176.6	0	109	D45 Y108 L150 I162 D164 A169	D45-K148 VanDerWaalsContact CG-NZ 3.26Å; D45-K148 IonicContact OD1-NZ 2.78Å; D45-K148 PolarHBondContact OD1-NZ 3.31Å; Y108-K148 HydrophobicContact CD1-CB 3.69Å; Y108-K148 HydrophobicContact CD1-CD 4.23Å; Y108-K148 HydrophobicContact CD1-CG 4.05Å; Y108-K148 HydrophobicContact CD2-CB 4.31Å; Y108-K148 HydrophobicContact CD2-CD 4.01Å; Y108-K148 HydrophobicContact CD2-CG 3.81Å; Y108-K148 HydrophobicContact CE1-CB 3.47Å; Y108-K148 VanDerWaalsContact CE1-CB 3.47Å; Y108-K148 HydrophobicContact CE1-CG 4.07Å; Y108-K148 HydrophobicContact CE2-CB 4.13Å; Y108-K148 HydrophobicContact CE2-CG 3.82Å; Y108-K148 HydrophobicContact CG-CB 4.11Å; Y108-K148 HydrophobicContact CG-CD 3.85Å; Y108-K148 HydrophobicContact CG-CG 3.94Å; Y108-K148 WeakPolarHBondContact O-CE 3.33Å; Y108-K148 PolarHBondContact O-NZ 3.38Å; Y108-K148 WeakPolarHBondContact OH-CA 3.5Å; K148-L150 PolarHBondContact O-N 3.03Å; K148-I162 HydrophobicContact CB-CD1 4.22Å; K148-I162 HydrophobicContact CD-CD1 3.6Å; K148-D164 WeakPolarHBondContact CE-OD2 3.36Å; K148-D164 IonicContact NZ-OD2 3.5Å; K148-D164 PolarHBondContact NZ-OD2 3.45Å; K148-A169 WeakPolarHBondContact CB-O 3.16Å; K148-A169 HydrophobicContact CD-CB 4.06Å; K148-A169 HydrophobicContact CG-CB 4.33Å; K148-A169 PolarHBondContact N-O 2.74Å
149	N	97.8	Very high	96.2	Very high	42 Å²	42	51.5 Å²	51.5	23%	0.225	30%	0.297	C	S	.	.			trans	-85.5	101.8	-178.6	-177.8	-8.1	0	0	0	110.2	Y108 S151 L152 Y173	Y108-N149 PolarHBondContact OH-N 3.23Å; Y108-N149 VanDerWaalsContact OH-N 3.08Å; N149-S151 PolarHBondContact ND2-OG 3.16Å; N149-S151 PolarHBondContact O-N 3.39Å; N149-S151 WeakPolarHBondContact OD1-CB 3.41Å; N149-S151 PolarHBondContact OD1-N 3.04Å; N149-S151 PolarHBondContact OD1-OG 3.37Å; N149-L152 HydrophobicContact CB-CD1 4.02Å; N149-L152 HydrophobicContact CB-CG 4Å; N149-L152 WeakPolarHBondContact O-CB 3.27Å; N149-L152 PolarHBondContact O-N 2.88Å; N149-Y173 PolarHBondContact OD1-OH 3.42Å
150	L	98.4	Very high	96.2	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-65.6	-21.9	-178.6	-58.8	-171.4	0	0	0	113.3	V43 K148 L152 I153 T154 M157 V160 I162 Y173 N176	V43-L150 HydrophobicContact CB-CD2 4.49Å; V43-L150 HydrophobicContact CG2-CD2 4.09Å; K148-L150 PolarHBondContact O-N 3.03Å; L150-L152 PolarHBondContact O-N 2.99Å; L150-I153 HydrophobicContact CD2-CD1 4.46Å; L150-I153 WeakPolarHBondContact O-CB 3.05Å; L150-I153 PolarHBondContact O-N 2.89Å; L150-T154 PolarHBondContact O-N 3.27Å; L150-M157 HydrophobicContact CB-CE 4.3Å; L150-M157 HydrophobicContact CB-SD 4.27Å; L150-V160 HydrophobicContact CB-CG1 4.46Å; L150-V160 HydrophobicContact CD1-CG1 4.48Å; L150-I162 HydrophobicContact CD1-CG2 4.29Å; L150-I162 HydrophobicContact CD2-CB 4.22Å; L150-I162 HydrophobicContact CD2-CD1 4.37Å; L150-Y173 HydrophobicContact CB-CD1 4.11Å; L150-Y173 HydrophobicContact CB-CD2 4.08Å; L150-Y173 HydrophobicContact CB-CE1 4.14Å; L150-Y173 HydrophobicContact CB-CE2 4.15Å; L150-Y173 HydrophobicContact CB-CG 4.09Å; L150-Y173 HydrophobicContact CD1-CD1 4.16Å; L150-Y173 HydrophobicContact CD1-CD2 4.25Å; L150-Y173 HydrophobicContact CD1-CG 3.76Å; L150-Y173 HydrophobicContact CG-CD1 4.26Å; L150-Y173 HydrophobicContact CG-CD2 3.75Å; L150-Y173 HydrophobicContact CG-CE2 4.28Å; L150-Y173 HydrophobicContact CG-CG 3.77Å; L150-Y173 VanDerWaalsContact N-CE2 3.32Å; L150-N176 HydrophobicContact CD1-CB 3.8Å
151	S	97.6	Very high	96.3	Very high	61 Å²	61	47.2 Å²	47.2	43%	0.427	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-67.7	-20.6	176.4	71.6	0	0	0	0	113.5	N149 I153 T154	N149-S151 PolarHBondContact ND2-OG 3.16Å; N149-S151 PolarHBondContact O-N 3.39Å; N149-S151 WeakPolarHBondContact OD1-CB 3.41Å; N149-S151 PolarHBondContact OD1-N 3.04Å; N149-S151 PolarHBondContact OD1-OG 3.37Å; S151-I153 PolarHBondContact O-N 2.74Å; S151-T154 WeakPolarHBondContact CA-O 3.4Å
152	L	97.6	Very high	96.4	Very high	87 Å²	87	40.5 Å²	40.5	46%	0.455	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-67.7	-19.7	170.3	-60.9	179.3	0	0	0	112.3	F134 N149 L150	F134-L152 HydrophobicContact CE1-CB 4.08Å; N149-L152 HydrophobicContact CB-CD1 4.02Å; N149-L152 HydrophobicContact CB-CG 4Å; N149-L152 WeakPolarHBondContact O-CB 3.27Å; N149-L152 PolarHBondContact O-N 2.88Å; L150-L152 PolarHBondContact O-N 2.99Å
153	I	97.9	Very high	96.8	Very high	12 Å²	12	36.9 Å²	36.9	6%	0.062	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-48.3	-179.2	-63.4	173.6	0	0	0	110.1	V41 V43 V106 Y108 R132 F134 L150 S151 V160	V41-I153 HydrophobicContact CG1-CG2 3.78Å; V43-I153 HydrophobicContact CB-CD1 4.37Å; V43-I153 HydrophobicContact CG1-CD1 3.96Å; V43-I153 HydrophobicContact CG2-CD1 3.45Å; V43-I153 VanDerWaalsContact CG2-CD1 3.45Å; V106-I153 HydrophobicContact CG1-CD1 3.84Å; V106-I153 HydrophobicContact CG1-CG1 4.37Å; V106-I153 HydrophobicContact CG2-CG2 4.24Å; Y108-I153 HydrophobicContact CD1-CD1 3.83Å; Y108-I153 HydrophobicContact CE1-CD1 4.37Å; R132-I153 VanDerWaalsContact NH2-C 3.27Å; R132-I153 PolarHBondContact NH2-O 3.27Å; F134-I153 HydrophobicContact CD2-CD1 4.42Å; F134-I153 HydrophobicContact CD2-CG1 4.19Å; F134-I153 HydrophobicContact CE1-CG1 4.49Å; F134-I153 HydrophobicContact CE2-CD1 4.36Å; F134-I153 HydrophobicContact CE2-CG1 3.7Å; F134-I153 HydrophobicContact CZ-CG1 3.87Å; L150-I153 HydrophobicContact CD2-CD1 4.46Å; L150-I153 WeakPolarHBondContact O-CB 3.05Å; L150-I153 PolarHBondContact O-N 2.89Å; S151-I153 PolarHBondContact O-N 2.74Å; I153-V160 HydrophobicContact CG2-CG2 4.49Å
154	T	96.9	Very high	97.2	Very high	17 Å²	17	30 Å²	30	10%	0.104	19%	0.188	C	C	.	.			trans	-157.9	148.7	177	178.4	0	0	0	0	109.2	L150 S151 D156 M157 V160	L150-T154 PolarHBondContact O-N 3.27Å; S151-T154 WeakPolarHBondContact CA-O 3.4Å; T154-D156 PolarHBondContact OG1-N 3.45Å; T154-D156 VanDerWaalsContact OG1-N 3.16Å; T154-M157 HydrophobicContact CG2-CE 4.41Å; T154-M157 WeakPolarHBondContact O-CE 3.48Å; T154-V160 HydrophobicContact CG2-CB 3.62Å; T154-V160 HydrophobicContact CG2-CG1 3.69Å; T154-V160 HydrophobicContact CG2-CG2 4.21Å
155	S	96.7	Very high	97.5	Very high	118 Å²	118	28.9 Å²	28.9	83%	0.825	17%	0.169	S	C	*	.	S	Bend	trans	-73.6	-19	170.6	57.3	0	0	0	0	112.7	M157	S155-M157 PolarHBondContact O-N 2.91Å
156	D	97.2	Very high	97.7	Very high	48 Å²	48	29.4 Å²	29.4	26%	0.257	17%	0.172	S	C	.	.			trans	-86.4	88.9	-176.6	-177.8	4.6	0	0	0	112.1	R38 T154 A158 S159	R38-D156 IonicContact NH1-OD2 3.68Å; T154-D156 PolarHBondContact OG1-N 3.45Å; T154-D156 VanDerWaalsContact OG1-N 3.16Å; D156-A158 PolarHBondContact O-N 2.81Å; D156-A158 VanDerWaalsContact OD1-CB 3.31Å; D156-A158 WeakPolarHBondContact OD1-CB 3.43Å; D156-A158 PolarHBondContact OD1-N 3Å; D156-S159 VanDerWaalsContact CG-OG 3.31Å; D156-S159 PolarHBondContact O-N 3.5Å; D156-S159 VanDerWaalsContact O-N 3.12Å; D156-S159 PolarHBondContact O-OG 3.16Å; D156-S159 WeakPolarHBondContact OD2-CB 3.07Å; D156-S159 PolarHBondContact OD2-OG 3.16Å
157	M	97.5	Very high	97.6	Very high	33 Å²	33	29.7 Å²	29.7	16%	0.163	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.9	177.3	-65.4	-59.5	99.6	0	0	114.2	L150 T154 S155 V160 Y173 N176	L150-M157 HydrophobicContact CB-CE 4.3Å; L150-M157 HydrophobicContact CB-SD 4.27Å; T154-M157 HydrophobicContact CG2-CE 4.41Å; T154-M157 WeakPolarHBondContact O-CE 3.48Å; S155-M157 PolarHBondContact O-N 2.91Å; M157-V160 HydrophobicContact CE-CG1 3.54Å; M157-V160 HydrophobicContact SD-CG1 3.99Å; M157-Y173 HydrophobicContact SD-CD1 3.78Å; M157-Y173 HydrophobicContact SD-CE1 3.61Å; M157-N176 PolarHBondContact O-ND2 3.42Å
158	A	97.6	Very high	97.4	Very high	19 Å²	19	30.4 Å²	30.4	16%	0.157	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-20.8	174.2	0	0	0	0	0	111.8	D156 D207 V208	D156-A158 PolarHBondContact O-N 2.81Å; D156-A158 VanDerWaalsContact OD1-CB 3.31Å; D156-A158 WeakPolarHBondContact OD1-CB 3.43Å; D156-A158 PolarHBondContact OD1-N 3Å; A158-D207 WeakPolarHBondContact CA-OD1 3.45Å; A158-D207 HydrophobicContact CB-CB 3.84Å; A158-D207 WeakPolarHBondContact O-CA 3.5Å; A158-V208 PolarHBondContact O-N 3.16Å
159	S	97.3	Very high	97.4	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.028	19%	0.193	C	C	.	.	S	Bend	trans	-110.9	2.7	-172.6	77.3	0	0	0	0	115.3	K40 V41 D156	K40-S159 CarbonylContact C-O 3.6Å; K40-S159 WeakPolarHBondContact CA-O 3.43Å; K40-S159 WeakPolarHBondContact CB-O 3.17Å; V41-S159 PolarHBondContact N-O 3.2Å; D156-S159 VanDerWaalsContact CG-OG 3.31Å; D156-S159 PolarHBondContact O-N 3.5Å; D156-S159 VanDerWaalsContact O-N 3.12Å; D156-S159 PolarHBondContact O-OG 3.16Å; D156-S159 WeakPolarHBondContact OD2-CB 3.07Å; D156-S159 PolarHBondContact OD2-OG 3.16Å
160	V	98.5	Very high	97.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.2	-178.4	63.6	0	0	0	0	111.9	V41 V43 L150 I153 T154 M157 N176 V208	V41-V160 HydrophobicContact CB-CB 4.35Å; V41-V160 HydrophobicContact CB-CG2 4.12Å; V41-V160 HydrophobicContact CG1-CG2 4.34Å; V41-V160 WeakPolarHBondContact O-CA 3.49Å; V43-V160 HydrophobicContact CG2-CG2 3.75Å; L150-V160 HydrophobicContact CB-CG1 4.46Å; L150-V160 HydrophobicContact CD1-CG1 4.48Å; I153-V160 HydrophobicContact CG2-CG2 4.49Å; T154-V160 HydrophobicContact CG2-CB 3.62Å; T154-V160 HydrophobicContact CG2-CG1 3.69Å; T154-V160 HydrophobicContact CG2-CG2 4.21Å; M157-V160 HydrophobicContact CE-CG1 3.54Å; M157-V160 HydrophobicContact SD-CG1 3.99Å; V160-N176 PolarHBondContact O-ND2 3.44Å; V160-V208 WeakPolarHBondContact O-CG2 3.27Å
161	F	98.5	Very high	97.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	157.9	173.3	60.5	-79.2	0	0	0	110.6	K40 V41 M42 V43 Y103 N176 I178 L199 L202 V208 L212	K40-F161 HydrophobicContact CB-CE1 4.35Å; V41-F161 PolarHBondContact O-N 3.45Å; V41-F161 VanDerWaalsContact O-N 3.11Å; M42-F161 HydrophobicContact CB-CE1 4.28Å; M42-F161 HydrophobicContact CB-CE2 4.02Å; M42-F161 HydrophobicContact CB-CZ 3.77Å; M42-F161 HydrophobicContact CE-CE2 3.95Å; M42-F161 HydrophobicContact CG-CD2 4.21Å; M42-F161 HydrophobicContact CG-CE2 3.54Å; M42-F161 HydrophobicContact CG-CZ 3.8Å; M42-F161 HydrophobicContact SD-CE2 3.72Å; M42-F161 HydrophobicContact SD-CZ 3.98Å; V43-F161 PolarHBondContact N-O 2.94Å; Y103-F161 AromaticContact CD1-CE1 3.86Å; Y103-F161 HydrophobicContact CD1-CE1 3.86Å; Y103-F161 AromaticContact CD1-CZ 3.94Å; Y103-F161 HydrophobicContact CD1-CZ 3.94Å; Y103-F161 HydrophobicContact CD2-CZ 4.32Å; Y103-F161 AromaticContact CE1-CE1 3.55Å; Y103-F161 HydrophobicContact CE1-CE1 3.55Å; Y103-F161 AromaticContact CE1-CZ 3.63Å; Y103-F161 HydrophobicContact CE1-CZ 3.63Å; Y103-F161 HydrophobicContact CE2-CZ 4.04Å; Y103-F161 HydrophobicContact CG-CZ 4.28Å; Y103-F161 AromaticContact CZ-CZ 3.68Å; F161-N176 CarbonylContact C-O 3.48Å; F161-N176 WeakPolarHBondContact CA-O 3.27Å; F161-N176 WeakPolarHBondContact CB-O 3.38Å; F161-I178 HydrophobicContact CD2-CD1 3.71Å; F161-I178 HydrophobicContact CD2-CG1 4.31Å; F161-I178 HydrophobicContact CE2-CD1 3.84Å; F161-L199 HydrophobicContact CE2-CD2 3.58Å; F161-L199 HydrophobicContact CZ-CD2 4.05Å; F161-L202 HydrophobicContact CE2-CD1 4.34Å; F161-L202 HydrophobicContact CZ-CD1 4.44Å; F161-V208 HydrophobicContact CB-CG2 4.21Å; F161-V208 HydrophobicContact CD1-CB 4.44Å; F161-V208 HydrophobicContact CD1-CG1 3.9Å; F161-V208 HydrophobicContact CD1-CG2 4.5Å; F161-V208 HydrophobicContact CE1-CG1 4.38Å; F161-L212 HydrophobicContact CB-CD1 3.58Å; F161-L212 HydrophobicContact CD2-CD1 4.47Å; F161-L212 HydrophobicContact CG-CD1 4.15Å
162	I	98.6	Very high	97	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.2	-174	-174.8	170.6	0	0	0	111.7	V43 K148 L150 D164 Y170 N176 A177 I178	V43-I162 HydrophobicContact CB-CB 3.96Å; V43-I162 HydrophobicContact CB-CD1 4.46Å; V43-I162 HydrophobicContact CB-CG1 3.94Å; V43-I162 HydrophobicContact CG1-CB 4.46Å; V43-I162 HydrophobicContact CG1-CD1 4.02Å; V43-I162 HydrophobicContact CG1-CG1 3.98Å; V43-I162 CarbonylContact O-C 3.54Å; V43-I162 WeakPolarHBondContact O-CA 3.23Å; K148-I162 HydrophobicContact CB-CD1 4.22Å; K148-I162 HydrophobicContact CD-CD1 3.6Å; L150-I162 HydrophobicContact CD1-CG2 4.29Å; L150-I162 HydrophobicContact CD2-CB 4.22Å; L150-I162 HydrophobicContact CD2-CD1 4.37Å; I162-D164 HydrophobicContact CD1-CB 4.26Å; I162-D164 HydrophobicContact CG1-CB 4.14Å; I162-Y170 HydrophobicContact CG2-CG 4.43Å; I162-N176 PolarHBondContact N-O 2.91Å; I162-A177 HydrophobicContact CG2-CB 4.09Å; I162-A177 CarbonylContact O-C 3.52Å; I162-A177 WeakPolarHBondContact O-CA 3.24Å; I162-I178 PolarHBondContact O-N 3.2Å
163	L	98.6	Very high	97	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	116.2	168.4	178.5	66.8	0	0	0	109	M42 V43 L44 D45 T49 F95 I178 I180 L192 L195	M42-L163 HydrophobicContact CE-CB 3.79Å; M42-L163 HydrophobicContact CE-CD2 3.91Å; M42-L163 HydrophobicContact CE-CG 4.42Å; V43-L163 PolarHBondContact O-N 3.05Å; L44-L163 HydrophobicContact CD2-CB 4.11Å; L44-L163 HydrophobicContact CD2-CD2 4.04Å; D45-L163 PolarHBondContact N-O 2.88Å; T49-L163 HydrophobicContact CG2-CD2 4.3Å; T49-L163 HydrophobicContact CG2-CG 4.12Å; F95-L163 HydrophobicContact CE1-CD2 4.29Å; F95-L163 HydrophobicContact CZ-CD2 4Å; L163-I178 HydrophobicContact CD1-CB 4.07Å; L163-I178 HydrophobicContact CD1-CG2 3.77Å; L163-I178 WeakPolarHBondContact CD1-O 3.45Å; L163-I180 HydrophobicContact CD1-CB 3.72Å; L163-I180 HydrophobicContact CD1-CD1 4.18Å; L163-I180 HydrophobicContact CD1-CG2 3.76Å; L163-I180 HydrophobicContact CG-CG2 4.13Å; L163-L192 HydrophobicContact CD2-CD2 4.13Å; L163-L195 HydrophobicContact CD1-CD1 3.56Å; L163-L195 HydrophobicContact CD2-CD1 4.1Å
164	D	98.3	Very high	96.9	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.011	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	143.9	-173.5	-161.2	-52.7	0	0	0	111.1	D45 K148 I162 S166 A169 Y170 I178 I180	D45-D164 HydrophobicContact CB-CB 4.14Å; K148-D164 WeakPolarHBondContact CE-OD2 3.36Å; K148-D164 IonicContact NZ-OD2 3.5Å; K148-D164 PolarHBondContact NZ-OD2 3.45Å; I162-D164 HydrophobicContact CD1-CB 4.26Å; I162-D164 HydrophobicContact CG1-CB 4.14Å; D164-S166 WeakPolarHBondContact OD1-CB 3.41Å; D164-S166 PolarHBondContact OD1-N 3.19Å; D164-A169 WeakPolarHBondContact OD2-CB 3.45Å; D164-Y170 HydrophobicContact CB-CD1 3.76Å; D164-Y170 HydrophobicContact CB-CE1 3.91Å; D164-I178 PolarHBondContact N-O 3.41Å; D164-I180 PolarHBondContact O-N 3.34Å
165	N	97.2	Very high	96.8	Very high	33 Å²	33	37.1 Å²	37.1	18%	0.176	22%	0.223	C	C	.	.	S	Bend	trans	-86.6	-11.6	178.3	68.9	-76.8	0	0	0	114.4	D45 D47 T49 I180 S182	D45-N165 PolarHBondContact OD2-OD1 3.19Å; D47-N165 PolarHBondContact O-OD1 3.42Å; T49-N165 PolarHBondContact OG1-N 3.21Å; T49-N165 PolarHBondContact OG1-OD1 3.48Å; N165-I180 WeakPolarHBondContact CA-O 3.47Å; N165-I180 HydrophobicContact CB-CG2 4.2Å; N165-I180 VanDerWaalsContact CB-O 3.24Å; N165-I180 WeakPolarHBondContact CB-O 3.47Å; N165-S182 PolarHBondContact ND2-OG 3.2Å
166	S	95.8	Very high	96.9	Very high	52 Å²	52	31.9 Å²	31.9	36%	0.364	19%	0.185	S	C	.	.			trans	-106.9	112.2	-177.7	-178	0	0	0	0	111.7	D164 G168 A169 Y170	D164-S166 WeakPolarHBondContact OD1-CB 3.41Å; D164-S166 PolarHBondContact OD1-N 3.19Å; S166-G168 PolarHBondContact O-N 2.97Å; S166-G168 VanDerWaalsContact O-N 3.13Å; S166-A169 VanDerWaalsContact O-CB 3.27Å; S166-A169 WeakPolarHBondContact O-CB 3.27Å; S166-A169 PolarHBondContact O-N 3.43Å; S166-Y170 WeakPolarHBondContact O-CD1 3.26Å; S166-Y170 WeakPolarHBondContact O-CE1 3.31Å
167	P	94.6	Very high	96.9	Very high	85 Å²	85	29.8 Å²	29.8	55%	0.552	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.1	173.6	-27.1	35.4	0	0	0	114.8	A169 Y170 R171	P167-A169 PolarHBondContact O-N 3.22Å; P167-Y170 VanDerWaalsContact CA-CZ 3.42Å; P167-Y170 HydrophobicContact CB-CE2 4.31Å; P167-Y170 PolarHBondContact O-N 3.24Å; P167-R171 PolarHBondContact O-N 3.19Å
168	G	95.4	Very high	96.9	Very high	20 Å²	20	28.5 Å²	28.5	21%	0.206	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-29.2	175.8	0	0	0	0	0	113.2	S166 R171	S166-G168 PolarHBondContact O-N 2.97Å; S166-G168 VanDerWaalsContact O-N 3.13Å; G168-R171 WeakPolarHBondContact O-CG 3.36Å; G168-R171 PolarHBondContact O-NH1 3.07Å
169	A	96.9	Very high	96.8	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.033	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-36.8	-177.6	0	0	0	0	0	112.6	Y146 S147 K148 D164 S166 P167	Y146-A169 WeakPolarHBondContact O-CA 3.38Å; S147-A169 WeakPolarHBondContact CA-O 3.28Å; K148-A169 WeakPolarHBondContact CB-O 3.16Å; K148-A169 HydrophobicContact CD-CB 4.06Å; K148-A169 HydrophobicContact CG-CB 4.33Å; K148-A169 PolarHBondContact N-O 2.74Å; D164-A169 WeakPolarHBondContact OD2-CB 3.45Å; S166-A169 VanDerWaalsContact O-CB 3.27Å; S166-A169 WeakPolarHBondContact O-CB 3.27Å; S166-A169 PolarHBondContact O-N 3.43Å; P167-A169 PolarHBondContact O-N 3.22Å
170	Y	96.1	Very high	96.8	Very high	23 Å²	23	32 Å²	32	9%	0.09	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	21.8	179.9	52.1	-99	0	0	0	113.2	I162 D164 S166 P167 S172 Y173 A177	I162-Y170 HydrophobicContact CG2-CG 4.43Å; D164-Y170 HydrophobicContact CB-CD1 3.76Å; D164-Y170 HydrophobicContact CB-CE1 3.91Å; S166-Y170 WeakPolarHBondContact O-CD1 3.26Å; S166-Y170 WeakPolarHBondContact O-CE1 3.31Å; P167-Y170 VanDerWaalsContact CA-CZ 3.42Å; P167-Y170 HydrophobicContact CB-CE2 4.31Å; P167-Y170 PolarHBondContact O-N 3.24Å; Y170-S172 PolarHBondContact O-N 2.97Å; Y170-S172 VanDerWaalsContact O-N 3.07Å; Y170-Y173 CarbonylContact O-C 3.24Å; Y170-Y173 VanDerWaalsContact O-C 3.24Å; Y170-Y173 WeakPolarHBondContact O-CA 3.16Å; Y170-Y173 PolarHBondContact O-N 3.17Å; Y170-A177 HydrophobicContact CD1-CB 4.02Å; Y170-A177 HydrophobicContact CD2-CB 3.31Å; Y170-A177 HydrophobicContact CE1-CB 4.35Å; Y170-A177 HydrophobicContact CE2-CB 3.71Å; Y170-A177 HydrophobicContact CG-CB 3.47Å; Y170-A177 VanDerWaalsContact CG-CB 3.47Å
171	R	95	Very high	96.7	Very high	81 Å²	81	38.3 Å²	38.3	31%	0.306	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-33.2	-177	67.9	-175.7	179.9	-118.4	2.8	114.3	S145 S147 P167 G168	S145-R171 PolarHBondContact O-NH1 2.92Å; S145-R171 VanDerWaalsContact O-NH1 3.1Å; S145-R171 PolarHBondContact OG-NH1 2.99Å; S147-R171 PolarHBondContact OG-NH2 2.91Å; P167-R171 PolarHBondContact O-N 3.19Å; G168-R171 WeakPolarHBondContact O-CG 3.36Å; G168-R171 PolarHBondContact O-NH1 3.07Å
172	S	95	Very high	96.6	Very high	78 Å²	78	40.6 Å²	40.6	55%	0.545	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-9.7	178.3	-55.5	0	0	0	0	113.9	Y170	Y170-S172 PolarHBondContact O-N 2.97Å; Y170-S172 VanDerWaalsContact O-N 3.07Å
173	Y	96.4	Very high	96.5	Very high	43 Å²	43	41.1 Å²	41.1	17%	0.169	23%	0.23	C	C	.	.			trans	-136.9	49.9	-175.6	-58.2	-82.4	0	0	0	112.3	N149 L150 M157 Y170 D175 N176 A177	N149-Y173 PolarHBondContact OD1-OH 3.42Å; L150-Y173 HydrophobicContact CB-CD1 4.11Å; L150-Y173 HydrophobicContact CB-CD2 4.08Å; L150-Y173 HydrophobicContact CB-CE1 4.14Å; L150-Y173 HydrophobicContact CB-CE2 4.15Å; L150-Y173 HydrophobicContact CB-CG 4.09Å; L150-Y173 HydrophobicContact CD1-CD1 4.16Å; L150-Y173 HydrophobicContact CD1-CD2 4.25Å; L150-Y173 HydrophobicContact CD1-CG 3.76Å; L150-Y173 HydrophobicContact CG-CD1 4.26Å; L150-Y173 HydrophobicContact CG-CD2 3.75Å; L150-Y173 HydrophobicContact CG-CE2 4.28Å; L150-Y173 HydrophobicContact CG-CG 3.77Å; L150-Y173 VanDerWaalsContact N-CE2 3.32Å; M157-Y173 HydrophobicContact SD-CD1 3.78Å; M157-Y173 HydrophobicContact SD-CE1 3.61Å; Y170-Y173 CarbonylContact O-C 3.24Å; Y170-Y173 VanDerWaalsContact O-C 3.24Å; Y170-Y173 WeakPolarHBondContact O-CA 3.16Å; Y170-Y173 PolarHBondContact O-N 3.17Å; Y173-D175 VanDerWaalsContact C-N 3.27Å; Y173-D175 PolarHBondContact O-N 2.95Å; Y173-N176 PolarHBondContact O-N 3.37Å; Y173-A177 PolarHBondContact O-N 3.34Å
174	P	95.8	Very high	96.3	Very high	58 Å²	58	45 Å²	45	38%	0.377	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-61.2	-34.9	-174.1	26.4	-35.2	0	0	0	112.8	N176 A177	P174-N176 PolarHBondContact O-N 3.37Å; P174-A177 WeakPolarHBondContact O-CB 3.48Å; P174-A177 PolarHBondContact O-N 3.4Å
175	D	96.6	Very high	95.8	Very high	78 Å²	78	47.5 Å²	47.5	42%	0.417	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-74.7	-10.5	-180	-60.1	-38.2	0	0	0	113.6	Y173 R209 L212	Y173-D175 VanDerWaalsContact C-N 3.27Å; Y173-D175 PolarHBondContact O-N 2.95Å; D175-R209 HydrophobicContact CB-CB 4.19Å; D175-R209 HydrophobicContact CB-CG 4.09Å; D175-L212 VanDerWaalsContact O-CB 3.24Å; D175-L212 WeakPolarHBondContact O-CB 3.49Å
176	N	97.8	Very high	95.5	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.037	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-103.9	6.6	175.4	-65.4	86.3	0	0	0	111.5	L150 M157 V160 F161 I162 Y173 P174 R209	L150-N176 HydrophobicContact CD1-CB 3.8Å; M157-N176 PolarHBondContact O-ND2 3.42Å; V160-N176 PolarHBondContact O-ND2 3.44Å; F161-N176 CarbonylContact C-O 3.48Å; F161-N176 WeakPolarHBondContact CA-O 3.27Å; F161-N176 WeakPolarHBondContact CB-O 3.38Å; I162-N176 PolarHBondContact N-O 2.91Å; Y173-N176 PolarHBondContact O-N 3.37Å; P174-N176 PolarHBondContact O-N 3.37Å; N176-R209 WeakPolarHBondContact OD1-CD 3.42Å
177	A	97.5	Very high	95.2	Very high	4 Å²	4	49.4 Å²	49.4	3%	0.033	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.8	-174.6	0	0	0	0	0	112.5	I162 Y170 Y173 P174	I162-A177 HydrophobicContact CG2-CB 4.09Å; I162-A177 CarbonylContact O-C 3.52Å; I162-A177 WeakPolarHBondContact O-CA 3.24Å; Y170-A177 HydrophobicContact CD1-CB 4.02Å; Y170-A177 HydrophobicContact CD2-CB 3.31Å; Y170-A177 HydrophobicContact CE1-CB 4.35Å; Y170-A177 HydrophobicContact CE2-CB 3.71Å; Y170-A177 HydrophobicContact CG-CB 3.47Å; Y170-A177 VanDerWaalsContact CG-CB 3.47Å; Y173-A177 PolarHBondContact O-N 3.34Å; P174-A177 WeakPolarHBondContact O-CB 3.48Å; P174-A177 PolarHBondContact O-N 3.4Å
178	I	97.3	Very high	95	Very high	7 Å²	7	54 Å²	54	4%	0.036	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	101.4	161	-60.7	176.8	0	0	0	106	F161 I162 L163 D164 L195 L199 L202 L212	F161-I178 HydrophobicContact CD2-CD1 3.71Å; F161-I178 HydrophobicContact CD2-CG1 4.31Å; F161-I178 HydrophobicContact CE2-CD1 3.84Å; I162-I178 PolarHBondContact O-N 3.2Å; L163-I178 HydrophobicContact CD1-CB 4.07Å; L163-I178 HydrophobicContact CD1-CG2 3.77Å; L163-I178 WeakPolarHBondContact CD1-O 3.45Å; D164-I178 PolarHBondContact N-O 3.41Å; I178-L195 HydrophobicContact CG2-CD1 4.34Å; I178-L195 HydrophobicContact CG2-CD2 3.71Å; I178-L199 HydrophobicContact CD1-CD2 3.66Å; I178-L202 HydrophobicContact CD1-CD1 4.11Å; I178-L212 HydrophobicContact CD1-CD2 4.03Å; I178-L212 HydrophobicContact CG1-CD1 4.21Å; I178-L212 HydrophobicContact CG1-CD2 3.59Å
179	P	96.4	Very high	95	Very high	79 Å²	79	53 Å²	53	51%	0.513	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	138.9	172.6	-20.6	32.9	0	0	0	110.5
180	I	96.9	Very high	94.9	Very high	17 Å²	17	54.6 Å²	54.6	9%	0.087	28%	0.282	C	S	.	.			trans	-131.4	146.2	172.1	-170.2	170.9	0	0	0	110.4	T49 R89 L163 D164 N165 S182 A191 L192 L195	T49-I180 HydrophobicContact CG2-CG2 4.08Å; R89-I180 VanDerWaalsContact NH1-CD1 3.34Å; L163-I180 HydrophobicContact CD1-CB 3.72Å; L163-I180 HydrophobicContact CD1-CD1 4.18Å; L163-I180 HydrophobicContact CD1-CG2 3.76Å; L163-I180 HydrophobicContact CG-CG2 4.13Å; D164-I180 PolarHBondContact O-N 3.34Å; N165-I180 WeakPolarHBondContact CA-O 3.47Å; N165-I180 HydrophobicContact CB-CG2 4.2Å; N165-I180 VanDerWaalsContact CB-O 3.24Å; N165-I180 WeakPolarHBondContact CB-O 3.47Å; I180-S182 PolarHBondContact O-N 3.49Å; I180-A191 HydrophobicContact CD1-CB 3.99Å; I180-A191 HydrophobicContact CG1-CB 4.13Å; I180-L192 HydrophobicContact CD1-CD2 3.71Å; I180-L192 HydrophobicContact CD1-CG 4.49Å; I180-L195 HydrophobicContact CD1-CD1 3.93Å
181	R	95.8	Very high	94.9	Very high	132 Å²	132	54.3 Å²	54.3	50%	0.498	29%	0.285	S	S	.	.			trans	-63.7	138.4	175	69.7	-174.6	-175.5	123.5	-12.3	110.8	R89 W183 D186 D189 A191	R89-R181 PolarHBondContact NH1-O 2.78Å; R89-R181 PolarHBondContact NH2-O 2.95Å; R181-W183 PolarHBondContact O-N 3.15Å; R181-D186 IonicContact NH1-OD2 3.54Å; R181-D186 IonicContact NH2-OD2 2.88Å; R181-D189 IonicContact CZ-OD2 2.88Å; R181-D189 IonicContact NE-OD2 3.94Å; R181-D189 PolarHBondContact NE-OD2 2.93Å; R181-D189 IonicContact NH1-OD2 2.74Å; R181-D189 VanDerWaalsContact NH2-CG 3.32Å; R181-D189 IonicContact NH2-OD2 3.39Å; R181-D189 PolarHBondContact NH2-OD2 2.9Å; R181-A191 HydrophobicContact CG-CB 4.47Å
182	S	97	Very high	95	Very high	48 Å²	48	50.5 Å²	50.5	34%	0.336	27%	0.27	S	S	.	.			trans	-55.1	138.2	168.4	-62.8	0	0	0	0	110.5	E48 N165 I180	E48-S182 CarbonylContact O-C 3.56Å; E48-S182 WeakPolarHBondContact O-CA 3.4Å; N165-S182 PolarHBondContact ND2-OG 3.2Å; I180-S182 PolarHBondContact O-N 3.49Å
183	W	96.6	Very high	95	Very high	12 Å²	12	47.1 Å²	47.1	5%	0.045	25%	0.246	C	C	.	.			trans	-122	138.7	177.9	178.4	87.3	0	0	0	111	E48 H52 H87 K88 R89 P90 R181 D186	E48-W183 WeakPolarHBondContact CA-O 3.5Å; E48-W183 PolarHBondContact O-N 3Å; H52-W183 HydrophobicContact CB-CE3 3.82Å; H52-W183 HydrophobicContact CB-CZ3 3.6Å; H87-W183 HydrophobicContact CB-CH2 3.87Å; H87-W183 HydrophobicContact CB-CZ3 4.19Å; H87-W183 WeakPolarHBondContact O-CZ3 3.12Å; K88-W183 VanDerWaalsContact C-CH2 3.42Å; K88-W183 WeakPolarHBondContact O-CH2 3.48Å; R89-W183 HydrophobicContact CB-CD2 3.8Å; R89-W183 HydrophobicContact CB-CE3 3.74Å; R89-W183 HydrophobicContact CB-CG 4.26Å; R89-W183 HydrophobicContact CB-CZ3 4.13Å; R89-W183 HydrophobicContact CG-CB 4.13Å; R89-W183 HydrophobicContact CG-CD2 3.69Å; R89-W183 HydrophobicContact CG-CE3 4.15Å; R89-W183 HydrophobicContact CG-CG 3.65Å; R89-W183 VanDerWaalsContact CZ-CB 3.45Å; P90-W183 VanDerWaalsContact CD-CE2 3.44Å; P90-W183 VanDerWaalsContact CD-CZ2 3.49Å; P90-W183 HydrophobicContact CG-CZ2 4.46Å; R181-W183 PolarHBondContact O-N 3.15Å; W183-D186 PolarHBondContact NE1-O 3.43Å
184	F	93.2	Very high	94.9	Very high	83 Å²	83	48.9 Å²	48.9	36%	0.364	26%	0.264	S	S	.	.	S	Bend	trans	-127.1	-50.5	-175.1	-59.2	-79.8	0	0	0	112.2	E48 H52 T62	E48-F184 HydrophobicContact CG-CD1 3.99Å; E48-F184 HydrophobicContact CG-CE1 3.45Å; E48-F184 VanDerWaalsContact CG-CE1 3.45Å; E48-F184 HydrophobicContact CG-CZ 3.94Å; H52-F184 WeakPolarHBondContact CB-O 3.43Å; H52-F184 PolarHBondContact CD2-O 3.07Å; H52-F184 AromaticContact CE1-CD1 3.61Å; H52-F184 AromaticContact ND1-CD1 3.74Å; T62-F184 HydrophobicContact CG2-CB 4.44Å; T62-F184 HydrophobicContact CG2-CD1 4.1Å; T62-F184 HydrophobicContact CG2-CG 4.39Å
185	S	88	Confident	95	Very high	53 Å²	53	47.4 Å²	47.4	37%	0.371	25%	0.253	S	S	.	.	S	Bend	trans	-159.5	-1	-175.5	64.8	0	0	0	0	115.7	T62 S187	T62-S185 WeakPolarHBondContact O-CB 3.4Å; T62-S185 PolarHBondContact O-OG 3.02Å; S185-S187 PolarHBondContact O-N 3.4Å
186	D	90.8	Very high	95	Very high	52 Å²	52	43.7 Å²	43.7	28%	0.278	23%	0.233	S	C	.	.			trans	-66.8	105.5	-177	179.5	17	0	0	0	110	P90 R181 W183 R188 D189	P90-D186 WeakPolarHBondContact CG-O 3.4Å; R181-D186 IonicContact NH1-OD2 3.54Å; R181-D186 IonicContact NH2-OD2 2.88Å; W183-D186 PolarHBondContact NE1-O 3.43Å; D186-R188 PolarHBondContact O-N 3.25Å; D186-R188 WeakPolarHBondContact OD1-CB 3.1Å; D186-R188 PolarHBondContact OD1-N 3.34Å; D186-R188 IonicContact OD1-NE 3.98Å; D186-D189 WeakPolarHBondContact O-CB 3.44Å; D186-D189 PolarHBondContact O-N 2.81Å
187	S	89.9	Confident	94.8	Very high	74 Å²	74	47 Å²	47	52%	0.517	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-12.5	179.7	64.6	0	0	0	0	113.1	S185	S185-S187 PolarHBondContact O-N 3.4Å
188	R	91.5	Very high	94.6	Very high	181 Å²	181	49 Å²	49	68%	0.683	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	0.2	177.8	-58	179.1	-61.6	172.1	3.6	113.1	Q17 D186 T190	Q17-R188 VanDerWaalsContact NE2-CA 3.33Å; Q17-R188 PolarHBondContact NE2-O 2.8Å; D186-R188 PolarHBondContact O-N 3.25Å; D186-R188 WeakPolarHBondContact OD1-CB 3.1Å; D186-R188 PolarHBondContact OD1-N 3.34Å; D186-R188 IonicContact OD1-NE 3.98Å; R188-T190 PolarHBondContact O-N 2.8Å
189	D	94.5	Very high	94.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.265	C	S	.	.			trans	-55.9	133.2	178.3	178.9	-83.2	0	0	0	111.2	R89 P90 H91 R181 D186 A191	R89-D189 IonicContact CZ-OD1 3.86Å; R89-D189 IonicContact CZ-OD2 2.65Å; R89-D189 IonicContact NE-OD1 3.6Å; R89-D189 PolarHBondContact NE-OD1 3.4Å; R89-D189 IonicContact NE-OD2 2.93Å; R89-D189 IonicContact NH2-OD1 3.67Å; R89-D189 IonicContact NH2-OD2 3.66Å; R89-D189 PolarHBondContact NH2-OD2 2.77Å; P90-D189 VanDerWaalsContact CB-O 3.27Å; P90-D189 WeakPolarHBondContact CB-O 3.07Å; P90-D189 HydrophobicContact CG-CB 4.09Å; H91-D189 PolarHBondContact CD2-O 3.35Å; H91-D189 PolarHBondContact NE2-O 3.33Å; R181-D189 IonicContact CZ-OD2 2.88Å; R181-D189 IonicContact NE-OD2 3.94Å; R181-D189 PolarHBondContact NE-OD2 2.93Å; R181-D189 IonicContact NH1-OD2 2.74Å; R181-D189 VanDerWaalsContact NH2-CG 3.32Å; R181-D189 IonicContact NH2-OD2 3.39Å; R181-D189 PolarHBondContact NH2-OD2 2.9Å; D186-D189 WeakPolarHBondContact O-CB 3.44Å; D186-D189 PolarHBondContact O-N 2.81Å; D189-A191 PolarHBondContact OD1-N 3.46Å
190	T	95.6	Very high	94.6	Very high	37 Å²	37	46.9 Å²	46.9	23%	0.227	25%	0.251	C	S	.	.			trans	-122.3	13.6	175.7	56.6	0	0	0	0	111.9	R188 L192 L193 C194	R188-T190 PolarHBondContact O-N 2.8Å; T190-L192 PolarHBondContact O-N 2.82Å; T190-L193 WeakPolarHBondContact O-CB 3.19Å; T190-L193 PolarHBondContact O-N 2.88Å; T190-C194 PolarHBondContact O-N 2.81Å; T190-C194 PolarHBondContact O-SG 2.61Å
191	A	96.2	Very high	94.5	Very high	17 Å²	17	48.8 Å²	48.8	14%	0.14	27%	0.269	C	S	.	.	H	α-helix	trans	-62.1	-44.3	-167	0	0	0	0	0	112	I180 R181 D189 L193 C194 L195	I180-A191 HydrophobicContact CD1-CB 3.99Å; I180-A191 HydrophobicContact CG1-CB 4.13Å; R181-A191 HydrophobicContact CG-CB 4.47Å; D189-A191 PolarHBondContact OD1-N 3.46Å; A191-L193 VanDerWaalsContact C-N 3.33Å; A191-L193 PolarHBondContact O-N 3.03Å; A191-C194 PolarHBondContact O-N 2.69Å; A191-L195 WeakPolarHBondContact O-CG 3.41Å; A191-L195 PolarHBondContact O-N 2.97Å
192	L	97.2	Very high	94.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-41.4	175.6	-65.1	-179.3	0	0	0	111.9	L50 R89 V92 F95 L163 I180 T190 L195	L50-L192 HydrophobicContact CD2-CD1 4.29Å; L50-L192 HydrophobicContact CD2-CD2 4.18Å; R89-L192 HydrophobicContact CB-CD1 4.15Å; R89-L192 HydrophobicContact CG-CD1 4.02Å; R89-L192 HydrophobicContact CG-CG 4.37Å; V92-L192 HydrophobicContact CB-CD1 3.82Å; V92-L192 HydrophobicContact CG2-CD1 4.06Å; F95-L192 HydrophobicContact CB-CB 4.16Å; F95-L192 HydrophobicContact CD1-CB 4.49Å; F95-L192 HydrophobicContact CD1-CD1 4.41Å; F95-L192 HydrophobicContact CD1-CD2 4.25Å; F95-L192 HydrophobicContact CD2-CB 3.9Å; F95-L192 WeakPolarHBondContact CD2-O 3.28Å; F95-L192 HydrophobicContact CE1-CD2 4.11Å; F95-L192 HydrophobicContact CE2-CB 4.4Å; F95-L192 HydrophobicContact CE2-CD2 4.49Å; F95-L192 WeakPolarHBondContact CE2-O 3.49Å; F95-L192 HydrophobicContact CG-CB 3.94Å; F95-L192 HydrophobicContact CG-CD1 4.48Å; F95-L192 HydrophobicContact CG-CD2 4.5Å; F95-L192 HydrophobicContact CZ-CD2 4.24Å; L163-L192 HydrophobicContact CD2-CD2 4.13Å; I180-L192 HydrophobicContact CD1-CD2 3.71Å; I180-L192 HydrophobicContact CD1-CG 4.49Å; T190-L192 PolarHBondContact O-N 2.82Å; L192-L195 PolarHBondContact O-N 3Å
193	L	95	Very high	94.5	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-42	179.5	-172.6	68.2	0	0	0	111.7	V19 H91 F94 T190 A191 L195 L196	V19-L193 HydrophobicContact CB-CD2 3.71Å; V19-L193 HydrophobicContact CG1-CD2 3.47Å; V19-L193 VanDerWaalsContact CG1-CD2 3.47Å; V19-L193 HydrophobicContact CG1-CG 4.27Å; V19-L193 VanDerWaalsContact O-CD2 3.24Å; V19-L193 WeakPolarHBondContact O-CD2 3.24Å; H91-L193 HydrophobicContact CB-CB 4.3Å; F94-L193 HydrophobicContact CD1-CD1 4.08Å; F94-L193 HydrophobicContact CE1-CD1 3.89Å; T190-L193 WeakPolarHBondContact O-CB 3.19Å; T190-L193 PolarHBondContact O-N 2.88Å; A191-L193 VanDerWaalsContact C-N 3.33Å; A191-L193 PolarHBondContact O-N 3.03Å; L193-L195 PolarHBondContact O-N 3.43Å; L193-L196 HydrophobicContact CD1-CD1 3.92Å; L193-L196 PolarHBondContact O-N 2.93Å
194	C	94.4	Very high	94.5	Very high	80 Å²	80	43.3 Å²	43.3	54%	0.541	24%	0.242	S	C	.	.	H	α-helix	trans	-66.1	-18.6	178.3	-68.2	0	0	0	0	113.7	T190 A191 P197	T190-C194 PolarHBondContact O-N 2.81Å; T190-C194 PolarHBondContact O-SG 2.61Å; A191-C194 PolarHBondContact O-N 2.69Å; C194-P197 WeakPolarHBondContact O-CD 3.31Å
195	L	96	Very high	94.6	Very high	28 Å²	28	40.5 Å²	40.5	15%	0.147	23%	0.232	C	C	.	.	H	α-helix	trans	-78.8	-21.4	175.5	-71.7	174	0	0	0	113.2	F95 L163 I178 I180 A191 L192 L193 V198 L199	F95-L195 HydrophobicContact CE2-CB 4.36Å; L163-L195 HydrophobicContact CD1-CD1 3.56Å; L163-L195 HydrophobicContact CD2-CD1 4.1Å; I178-L195 HydrophobicContact CG2-CD1 4.34Å; I178-L195 HydrophobicContact CG2-CD2 3.71Å; I180-L195 HydrophobicContact CD1-CD1 3.93Å; A191-L195 WeakPolarHBondContact O-CG 3.41Å; A191-L195 PolarHBondContact O-N 2.97Å; L192-L195 PolarHBondContact O-N 3Å; L193-L195 PolarHBondContact O-N 3.43Å; L195-V198 HydrophobicContact CD2-CG1 4.33Å; L195-V198 WeakPolarHBondContact O-CG1 3.38Å; L195-V198 PolarHBondContact O-N 3.25Å; L195-L199 HydrophobicContact CB-CD1 3.96Å; L195-L199 HydrophobicContact CB-CG 4.3Å; L195-L199 WeakPolarHBondContact O-CB 2.97Å; L195-L199 VanDerWaalsContact O-CG 3.25Å; L195-L199 WeakPolarHBondContact O-CG 3.14Å; L195-L199 PolarHBondContact O-N 2.8Å
196	L	96.6	Very high	94.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56.4	-40.9	-173.6	-67.7	178	0	0	0	114.5	Y21 F94 F95 V98 I99 W102 L193 V198 L199 D200	Y21-L196 HydrophobicContact CD1-CB 3.94Å; Y21-L196 HydrophobicContact CD1-CD1 3.58Å; Y21-L196 HydrophobicContact CD1-CG 4.37Å; Y21-L196 HydrophobicContact CD2-CB 3.56Å; Y21-L196 HydrophobicContact CD2-CD1 4.26Å; Y21-L196 HydrophobicContact CE1-CB 4.03Å; Y21-L196 HydrophobicContact CE1-CD1 4.33Å; Y21-L196 HydrophobicContact CE2-CB 3.68Å; Y21-L196 HydrophobicContact CG-CB 3.7Å; Y21-L196 HydrophobicContact CG-CD1 3.53Å; Y21-L196 HydrophobicContact CG-CG 4.28Å; F94-L196 HydrophobicContact CD1-CD1 4.24Å; F94-L196 HydrophobicContact CE1-CD1 3.67Å; F95-L196 HydrophobicContact CD2-CD2 3.66Å; F95-L196 HydrophobicContact CD2-CG 4.22Å; F95-L196 HydrophobicContact CE2-CD2 4.03Å; V98-L196 HydrophobicContact CB-CD2 4.15Å; V98-L196 HydrophobicContact CG1-CD2 3.87Å; I99-L196 HydrophobicContact CG2-CD2 3.82Å; W102-L196 HydrophobicContact CH2-CD2 4.36Å; W102-L196 HydrophobicContact CZ3-CD2 4.08Å; L193-L196 HydrophobicContact CD1-CD1 3.92Å; L193-L196 PolarHBondContact O-N 2.93Å; L196-V198 PolarHBondContact O-N 2.81Å; L196-L199 PolarHBondContact O-N 2.9Å; L196-D200 WeakPolarHBondContact O-CB 3.27Å; L196-D200 PolarHBondContact O-N 2.94Å
197	P	94.5	Very high	95.2	Very high	75 Å²	75	42 Å²	42	49%	0.487	24%	0.243	S	C	.	.	H	α-helix	trans	-61	-43.2	176.9	-23.8	33.6	0	0	0	113.9	Y21 C194 D200 A201	Y21-P197 HydrophobicContact CD2-CG 4.11Å; Y21-P197 HydrophobicContact CE2-CB 4.42Å; Y21-P197 HydrophobicContact CE2-CG 3.86Å; C194-P197 WeakPolarHBondContact O-CD 3.31Å; P197-D200 PolarHBondContact O-N 3.34Å; P197-A201 PolarHBondContact O-N 3.34Å; P197-A201 VanDerWaalsContact O-N 3.08Å
198	V	94.2	Very high	95.5	Very high	48 Å²	48	38.4 Å²	38.4	29%	0.291	22%	0.218	S	C	.	.	H	α-helix	trans	-71.3	-38.1	179	81.7	0	0	0	0	110.7	L195 L196 D200 A201 L202	L195-V198 HydrophobicContact CD2-CG1 4.33Å; L195-V198 WeakPolarHBondContact O-CG1 3.38Å; L195-V198 PolarHBondContact O-N 3.25Å; L196-V198 PolarHBondContact O-N 2.81Å; V198-D200 VanDerWaalsContact C-N 3.28Å; V198-D200 PolarHBondContact O-N 3.02Å; V198-A201 PolarHBondContact O-N 2.82Å; V198-L202 VanDerWaalsContact O-CG 3.3Å; V198-L202 WeakPolarHBondContact O-CG 3.44Å; V198-L202 PolarHBondContact O-N 3.08Å
199	L	97	Very high	95.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.8	-32.9	174.5	-66	176.9	0	0	0	111.6	M42 F95 I99 W102 Y103 F161 I178 L195 L196 L202	M42-L199 HydrophobicContact CE-CD1 3.89Å; M42-L199 HydrophobicContact CE-CD2 3.73Å; M42-L199 HydrophobicContact SD-CD1 4.26Å; M42-L199 HydrophobicContact SD-CD2 4Å; F95-L199 HydrophobicContact CE2-CD1 3.5Å; F95-L199 VanDerWaalsContact CE2-CD1 3.5Å; F95-L199 HydrophobicContact CZ-CD1 3.75Å; I99-L199 HydrophobicContact CG2-CD1 3.85Å; W102-L199 HydrophobicContact CE3-CB 4.34Å; W102-L199 HydrophobicContact CZ3-CB 4.06Å; Y103-L199 HydrophobicContact CE2-CB 4.24Å; Y103-L199 WeakPolarHBondContact CE2-O 3.4Å; Y103-L199 PolarHBondContact OH-O 2.87Å; F161-L199 HydrophobicContact CE2-CD2 3.58Å; F161-L199 HydrophobicContact CZ-CD2 4.05Å; I178-L199 HydrophobicContact CD1-CD2 3.66Å; L195-L199 HydrophobicContact CB-CD1 3.96Å; L195-L199 HydrophobicContact CB-CG 4.3Å; L195-L199 WeakPolarHBondContact O-CB 2.97Å; L195-L199 VanDerWaalsContact O-CG 3.25Å; L195-L199 WeakPolarHBondContact O-CG 3.14Å; L195-L199 PolarHBondContact O-N 2.8Å; L196-L199 PolarHBondContact O-N 2.9Å; L199-L202 HydrophobicContact CD2-CD1 4.32Å
200	D	95.4	Very high	95.8	Very high	40 Å²	40	36.6 Å²	36.6	21%	0.214	22%	0.22	C	C	.	.	H	α-helix	trans	-68.5	-44.5	173.4	-170.3	24.7	0	0	0	111.1	Y21 W102 L196 P197 V198 L202 R203	Y21-D200 VanDerWaalsContact OH-CB 3.3Å; Y21-D200 WeakPolarHBondContact OH-CB 3.45Å; Y21-D200 PolarHBondContact OH-OD2 3.16Å; W102-D200 HydrophobicContact CH2-CB 3.79Å; W102-D200 HydrophobicContact CZ2-CB 4.3Å; W102-D200 HydrophobicContact CZ3-CB 4.02Å; L196-D200 WeakPolarHBondContact O-CB 3.27Å; L196-D200 PolarHBondContact O-N 2.94Å; P197-D200 PolarHBondContact O-N 3.34Å; V198-D200 VanDerWaalsContact C-N 3.28Å; V198-D200 PolarHBondContact O-N 3.02Å; D200-L202 PolarHBondContact O-N 2.86Å; D200-R203 VanDerWaalsContact O-CB 3.29Å; D200-R203 WeakPolarHBondContact O-CB 3.17Å; D200-R203 VanDerWaalsContact O-CD 3.23Å; D200-R203 WeakPolarHBondContact O-CD 3.4Å; D200-R203 VanDerWaalsContact O-CG 3.27Å; D200-R203 WeakPolarHBondContact O-CG 3.48Å; D200-R203 PolarHBondContact O-N 3.38Å; D200-R203 VanDerWaalsContact OD1-CD 3.26Å; D200-R203 WeakPolarHBondContact OD1-CD 3.46Å; D200-R203 IonicContact OD1-CZ 2.63Å; D200-R203 IonicContact OD1-NE 2.7Å; D200-R203 IonicContact OD1-NH1 3.63Å; D200-R203 PolarHBondContact OD1-NH1 3.31Å
201	A	94.5	Very high	95.8	Very high	57 Å²	57	37.2 Å²	37.2	47%	0.471	22%	0.223	S	C	.	.	H	α-helix	trans	-61.5	-40.6	177.3	0	0	0	0	0	113.2	P197 V198 R203 F204	P197-A201 PolarHBondContact O-N 3.34Å; P197-A201 VanDerWaalsContact O-N 3.08Å; V198-A201 PolarHBondContact O-N 2.82Å; A201-R203 PolarHBondContact O-N 2.76Å; A201-R203 VanDerWaalsContact O-N 3.07Å; A201-F204 PolarHBondContact O-N 3.42Å
202	L	96.7	Very high	95.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-61.3	-16.9	179.7	-75.1	174.3	0	0	0	113.7	K40 Y103 F161 I178 V198 L199 D200 F204 V205 V208 V211 L212	K40-L202 WeakPolarHBondContact CD-O 2.9Å; K40-L202 WeakPolarHBondContact CE-O 3.32Å; K40-L202 PolarHBondContact NZ-O 2.91Å; Y103-L202 VanDerWaalsContact OH-CB 3.28Å; Y103-L202 WeakPolarHBondContact OH-CB 3.45Å; F161-L202 HydrophobicContact CE2-CD1 4.34Å; F161-L202 HydrophobicContact CZ-CD1 4.44Å; I178-L202 HydrophobicContact CD1-CD1 4.11Å; V198-L202 VanDerWaalsContact O-CG 3.3Å; V198-L202 WeakPolarHBondContact O-CG 3.44Å; V198-L202 PolarHBondContact O-N 3.08Å; L199-L202 HydrophobicContact CD2-CD1 4.32Å; D200-L202 PolarHBondContact O-N 2.86Å; L202-F204 PolarHBondContact O-N 2.74Å; L202-V205 HydrophobicContact CD2-CG2 4.17Å; L202-V205 WeakPolarHBondContact O-CG2 3.42Å; L202-V208 HydrophobicContact CD2-CB 4.35Å; L202-V208 HydrophobicContact CD2-CG1 4.44Å; L202-V211 HydrophobicContact CD2-CB 3.83Å; L202-V211 HydrophobicContact CD2-CG1 4Å; L202-V211 HydrophobicContact CD2-CG2 4.35Å; L202-L212 HydrophobicContact CD1-CD2 3.93Å; L202-L212 HydrophobicContact CD1-CG 4.39Å; L202-L212 HydrophobicContact CD2-CD2 4.33Å; L202-L212 HydrophobicContact CD2-CG 4.24Å
203	R	96.4	Very high	95.4	Very high	42 Å²	42	38.7 Å²	38.7	16%	0.158	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-60.3	-35.5	174	-60.7	162.6	65.6	-165.7	5.7	111.2	L34 K40 W102 Y103 D200 A201	L34-R203 HydrophobicContact CD2-CB 3.71Å; L34-R203 WeakPolarHBondContact CD2-O 3.13Å; K40-R203 PolarHBondContact NZ-O 3.42Å; W102-R203 HydrophobicContact CB-CG 4.08Å; W102-R203 HydrophobicContact CG-CG 4.33Å; Y103-R203 HydrophobicContact CE2-CG 4.47Å; Y103-R203 PolarHBondContact OH-N 2.97Å; D200-R203 VanDerWaalsContact O-CB 3.29Å; D200-R203 WeakPolarHBondContact O-CB 3.17Å; D200-R203 VanDerWaalsContact O-CD 3.23Å; D200-R203 WeakPolarHBondContact O-CD 3.4Å; D200-R203 VanDerWaalsContact O-CG 3.27Å; D200-R203 WeakPolarHBondContact O-CG 3.48Å; D200-R203 PolarHBondContact O-N 3.38Å; D200-R203 VanDerWaalsContact OD1-CD 3.26Å; D200-R203 WeakPolarHBondContact OD1-CD 3.46Å; D200-R203 IonicContact OD1-CZ 2.63Å; D200-R203 IonicContact OD1-NE 2.7Å; D200-R203 IonicContact OD1-NH1 3.63Å; D200-R203 PolarHBondContact OD1-NH1 3.31Å; A201-R203 PolarHBondContact O-N 2.76Å; A201-R203 VanDerWaalsContact O-N 3.07Å
204	F	95.7	Very high	95	Very high	35 Å²	35	47.7 Å²	47.7	15%	0.154	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-93.6	-6.8	-168.5	-63.2	-87.2	0	0	0	115.4	L26 R33 L34 L37 A201 L202	L26-F204 HydrophobicContact CD1-CZ 4.13Å; L26-F204 HydrophobicContact CD2-CE2 4.47Å; L26-F204 HydrophobicContact CD2-CZ 3.76Å; R33-F204 HydrophobicContact CG-CD1 4.4Å; R33-F204 PolarHBondContact NH2-O 3.36Å; L34-F204 HydrophobicContact CD1-CE1 3.88Å; L34-F204 HydrophobicContact CD1-CE2 4.39Å; L34-F204 HydrophobicContact CD1-CZ 3.7Å; L34-F204 HydrophobicContact CD2-CD1 3.58Å; L34-F204 HydrophobicContact CD2-CD2 4.31Å; L34-F204 HydrophobicContact CD2-CE1 3.59Å; L34-F204 HydrophobicContact CD2-CE2 4.3Å; L34-F204 HydrophobicContact CD2-CG 3.96Å; L34-F204 HydrophobicContact CD2-CZ 3.95Å; L34-F204 HydrophobicContact CG-CD1 3.93Å; L34-F204 HydrophobicContact CG-CE1 3.44Å; L34-F204 VanDerWaalsContact CG-CE1 3.44Å; L34-F204 HydrophobicContact CG-CZ 3.8Å; L37-F204 WeakPolarHBondContact CD1-O 3.49Å; A201-F204 PolarHBondContact O-N 3.42Å; L202-F204 PolarHBondContact O-N 2.74Å
205	V	95.3	Very high	93.7	Very high	25 Å²	25	48.5 Å²	48.5	15%	0.152	26%	0.264	C	S	.	.			trans	-83.9	147.4	178.2	-55.3	0	0	0	0	110.7	K40 L202 V208 V211	K40-V205 VanDerWaalsContact CE-O 3.23Å; K40-V205 WeakPolarHBondContact CE-O 3.35Å; K40-V205 PolarHBondContact NZ-O 2.88Å; L202-V205 HydrophobicContact CD2-CG2 4.17Å; L202-V205 WeakPolarHBondContact O-CG2 3.42Å; V205-V208 HydrophobicContact CG2-CG1 4.25Å; V205-V211 HydrophobicContact CG1-CG2 3.76Å
206	S	95.1	Very high	91.7	Very high	100 Å²	100	53.3 Å²	53.3	70%	0.699	29%	0.289	S	S	*	.	S	Bend	trans	-72	-39.6	173	46.4	0	0	0	0	111.4
207	D	96.6	Very high	89.6	Confident	35 Å²	35	62.4 Å²	62.4	19%	0.187	33%	0.332	C	S	.	.			trans	-128.5	119	178.2	-171.6	-26.6	0	0	0	110	A158 R209 S210	A158-D207 WeakPolarHBondContact CA-OD1 3.45Å; A158-D207 HydrophobicContact CB-CB 3.84Å; A158-D207 WeakPolarHBondContact O-CA 3.5Å; D207-R209 PolarHBondContact O-N 3.3Å; D207-R209 WeakPolarHBondContact OD1-CB 3.48Å; D207-R209 WeakPolarHBondContact OD1-CG 3.33Å; D207-R209 IonicContact OD1-CZ 3.92Å; D207-R209 PolarHBondContact OD1-N 3.48Å; D207-R209 IonicContact OD1-NE 3.01Å; D207-R209 PolarHBondContact OD1-NE 3.13Å; D207-R209 IonicContact OD1-NH2 3.94Å; D207-R209 IonicContact OD2-CZ 3.31Å; D207-R209 VanDerWaalsContact OD2-CZ 3.31Å; D207-R209 IonicContact OD2-NE 3.14Å; D207-R209 PolarHBondContact OD2-NE 3.45Å; D207-R209 VanDerWaalsContact OD2-NE 3.14Å; D207-R209 IonicContact OD2-NH2 2.69Å; D207-R209 PolarHBondContact OD2-NH2 3.24Å; D207-S210 VanDerWaalsContact O-CB 3.31Å; D207-S210 WeakPolarHBondContact O-CB 3.3Å; D207-S210 PolarHBondContact O-N 3.14Å; D207-S210 VanDerWaalsContact O-N 3.13Å; D207-S210 PolarHBondContact O-OG 3.07Å
208	V	97.4	Very high	87.5	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-31.6	179.4	-64.1	0	0	0	0	112.9	K40 A158 V160 F161 L202 V205 S210 V211 L212	K40-V208 HydrophobicContact CD-CG1 3.48Å; K40-V208 VanDerWaalsContact CD-CG1 3.48Å; A158-V208 PolarHBondContact O-N 3.16Å; V160-V208 WeakPolarHBondContact O-CG2 3.27Å; F161-V208 HydrophobicContact CB-CG2 4.21Å; F161-V208 HydrophobicContact CD1-CB 4.44Å; F161-V208 HydrophobicContact CD1-CG1 3.9Å; F161-V208 HydrophobicContact CD1-CG2 4.5Å; F161-V208 HydrophobicContact CE1-CG1 4.38Å; L202-V208 HydrophobicContact CD2-CB 4.35Å; L202-V208 HydrophobicContact CD2-CG1 4.44Å; V205-V208 HydrophobicContact CG2-CG1 4.25Å; V208-S210 PolarHBondContact O-N 3.34Å; V208-V211 PolarHBondContact O-N 2.83Å; V208-V211 VanDerWaalsContact O-N 3.1Å; V208-L212 HydrophobicContact CB-CD1 4.13Å; V208-L212 HydrophobicContact CG2-CD1 4.31Å; V208-L212 WeakPolarHBondContact O-CG 3.33Å; V208-L212 PolarHBondContact O-N 3.05Å
209	R	96.7	Very high	85	Confident	91 Å²	91	70 Å²	70	34%	0.343	36%	0.359	S	S	.	.	H	α-helix	trans	-65.5	-25.9	-179.1	-57.4	173.1	-66.6	175.3	1.1	111.6	D175 N176 D207 V211 S213	D175-R209 HydrophobicContact CB-CB 4.19Å; D175-R209 HydrophobicContact CB-CG 4.09Å; N176-R209 WeakPolarHBondContact OD1-CD 3.42Å; D207-R209 PolarHBondContact O-N 3.3Å; D207-R209 WeakPolarHBondContact OD1-CB 3.48Å; D207-R209 WeakPolarHBondContact OD1-CG 3.33Å; D207-R209 IonicContact OD1-CZ 3.92Å; D207-R209 PolarHBondContact OD1-N 3.48Å; D207-R209 IonicContact OD1-NE 3.01Å; D207-R209 PolarHBondContact OD1-NE 3.13Å; D207-R209 IonicContact OD1-NH2 3.94Å; D207-R209 IonicContact OD2-CZ 3.31Å; D207-R209 VanDerWaalsContact OD2-CZ 3.31Å; D207-R209 IonicContact OD2-NE 3.14Å; D207-R209 PolarHBondContact OD2-NE 3.45Å; D207-R209 VanDerWaalsContact OD2-NE 3.14Å; D207-R209 IonicContact OD2-NH2 2.69Å; D207-R209 PolarHBondContact OD2-NH2 3.24Å; R209-V211 PolarHBondContact O-N 3.05Å; R209-V211 VanDerWaalsContact O-N 3.15Å; R209-S213 WeakPolarHBondContact O-CB 3.36Å; R209-S213 PolarHBondContact O-N 3.18Å; R209-S213 PolarHBondContact O-OG 3.36Å
210	S	95.6	Very high	82.2	Confident	52 Å²	52	79.1 Å²	79.1	36%	0.364	40%	0.402	S	S	.	.	H	α-helix	trans	-60.4	-24.2	175.9	71.1	0	0	0	0	113.5	D207 V208 R214	D207-S210 VanDerWaalsContact O-CB 3.31Å; D207-S210 WeakPolarHBondContact O-CB 3.3Å; D207-S210 PolarHBondContact O-N 3.14Å; D207-S210 VanDerWaalsContact O-N 3.13Å; D207-S210 PolarHBondContact O-OG 3.07Å; V208-S210 PolarHBondContact O-N 3.34Å; S210-R214 PolarHBondContact O-NE 2.96Å
211	V	95.1	Very high	79.4	Confident	49 Å²	49	81.2 Å²	81.2	30%	0.297	42%	0.419	S	S	.	.	H	α-helix	trans	-104.2	-50.2	175.6	175.7	0	0	0	0	110.6	L202 V205 V208 R209 S213 R214	L202-V211 HydrophobicContact CD2-CB 3.83Å; L202-V211 HydrophobicContact CD2-CG1 4Å; L202-V211 HydrophobicContact CD2-CG2 4.35Å; V205-V211 HydrophobicContact CG1-CG2 3.76Å; V208-V211 PolarHBondContact O-N 2.83Å; V208-V211 VanDerWaalsContact O-N 3.1Å; R209-V211 PolarHBondContact O-N 3.05Å; R209-V211 VanDerWaalsContact O-N 3.15Å; V211-S213 PolarHBondContact O-N 3.19Å; V211-R214 WeakPolarHBondContact O-CB 3.26Å; V211-R214 PolarHBondContact O-N 3.38Å; V211-R214 VanDerWaalsContact O-N 3.1Å
212	L	95.1	Very high	76.4	Confident	5 Å²	5	86 Å²	86	3%	0.026	44%	0.435	C	S	.	.	H	α-helix	trans	-65.5	-35.9	-171.4	-67.8	-175.9	0	0	0	113.5	F161 D175 I178 L202 V208 R214 N215	F161-L212 HydrophobicContact CB-CD1 3.58Å; F161-L212 HydrophobicContact CD2-CD1 4.47Å; F161-L212 HydrophobicContact CG-CD1 4.15Å; D175-L212 VanDerWaalsContact O-CB 3.24Å; D175-L212 WeakPolarHBondContact O-CB 3.49Å; I178-L212 HydrophobicContact CD1-CD2 4.03Å; I178-L212 HydrophobicContact CG1-CD1 4.21Å; I178-L212 HydrophobicContact CG1-CD2 3.59Å; L202-L212 HydrophobicContact CD1-CD2 3.93Å; L202-L212 HydrophobicContact CD1-CG 4.39Å; L202-L212 HydrophobicContact CD2-CD2 4.33Å; L202-L212 HydrophobicContact CD2-CG 4.24Å; V208-L212 HydrophobicContact CB-CD1 4.13Å; V208-L212 HydrophobicContact CG2-CD1 4.31Å; V208-L212 WeakPolarHBondContact O-CG 3.33Å; V208-L212 PolarHBondContact O-N 3.05Å; L212-R214 PolarHBondContact O-N 2.98Å; L212-N215 WeakPolarHBondContact O-CB 3.4Å; L212-N215 PolarHBondContact O-N 3.09Å; L212-N215 VanDerWaalsContact O-N 3.12Å
213	S	90.3	Very high	73.1	Confident	43 Å²	43	94 Å²	94	30%	0.301	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.6	175.6	62.4	0	0	0	0	113.8	R209 V211 L216	R209-S213 WeakPolarHBondContact O-CB 3.36Å; R209-S213 PolarHBondContact O-N 3.18Å; R209-S213 PolarHBondContact O-OG 3.36Å; V211-S213 PolarHBondContact O-N 3.19Å; S213-L216 WeakPolarHBondContact O-CG 3.36Å
214	R	85.4	Confident	70	Confident	197 Å²	197	100.4 Å²	100.4	74%	0.743	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.4	179.5	-54.8	-177.7	-175.3	-159.9	-5.1	113.5	S210 V211 L212 L216	S210-R214 PolarHBondContact O-NE 2.96Å; V211-R214 WeakPolarHBondContact O-CB 3.26Å; V211-R214 PolarHBondContact O-N 3.38Å; V211-R214 VanDerWaalsContact O-N 3.1Å; L212-R214 PolarHBondContact O-N 2.98Å; R214-L216 PolarHBondContact O-N 3.45Å
215	N	67.6	Low	68.7	Low	97 Å²	97	103.7 Å²	103.7	52%	0.519	54%	0.543	S	S	.	.			trans	-76.5	38.3	-177.8	-74	-34.1	0	0	0	113.5	L212 H217	L212-N215 WeakPolarHBondContact O-CB 3.4Å; L212-N215 PolarHBondContact O-N 3.09Å; L212-N215 VanDerWaalsContact O-N 3.12Å; N215-H217 PolarHBondContact O-N 3.08Å
216	L	54.5	Low	67.3	Low	128 Å²	128	107.8 Å²	107.8	67%	0.67	56%	0.563	S	S	*	*			trans	-72.9	25.3	-173.2	-72.5	165.3	0	0	0	115.1	S213 R214 R218	S213-L216 WeakPolarHBondContact O-CG 3.36Å; R214-L216 PolarHBondContact O-N 3.45Å; L216-R218 PolarHBondContact O-N 3.33Å
217	H	53.1	Low	65.8	Low	192 Å²	192	108.2 Å²	108.2	89%	0.889	56%	0.556	S	S	*	*			trans	-75.4	60.1	157.2	-65.4	-8.7	0	0	0	109.3	N215 P219	N215-H217 PolarHBondContact O-N 3.08Å; H217-P219 WeakPolarHBondContact O-CD 3.39Å
218	R	50.7	Low	64	Low	177 Å²	177	112.5 Å²	112.5	67%	0.668	58%	0.577	S	S	*	*			trans	-86.6	113.9	171	-164	176.1	-171.8	177.1	2	105.3	L216 Q220	L216-R218 PolarHBondContact O-N 3.33Å; R218-Q220 VanDerWaalsContact C-N 3.34Å; R218-Q220 PolarHBondContact O-N 3.42Å
219	P	41.2	Very low	61.9	Low	106 Å²	106	119.6 Å²	119.6	69%	0.688	61%	0.613	S	S	*	*			trans	-60.2	105	163.7	-15.5	29	0	0	0	107	H217 S221	H217-P219 WeakPolarHBondContact O-CD 3.39Å; P219-S221 PolarHBondContact O-N 3.37Å
220	Q	38	Very low	59.6	Low	191 Å²	191	121.5 Å²	121.5	89%	0.893	63%	0.631	S	S	*	*			trans	-74	71.3	160	-76	-176.3	-21.5	0	0	107.3	R218	R218-Q220 VanDerWaalsContact C-N 3.34Å; R218-Q220 PolarHBondContact O-N 3.42Å
221	S	35.5	Very low	57	Low	84 Å²	84	126.4 Å²	126.4	59%	0.587	65%	0.651	S	S	*	*			trans	-170.3	115.3	171.2	56.8	0	0	0	0	104.8	P219	P219-S221 PolarHBondContact O-N 3.37Å
222	I	31.9	Very low	54.1	Low	156 Å²	156	132.4 Å²	132.4	80%	0.8	68%	0.678	S	S	*	*			cis	-155.5	114.7	41.9	-70.2	150.6	0	0	0	106.4
223	L	27.7	Very low	50.7	Low	169 Å²	169	143 Å²	143	89%	0.885	73%	0.732	S	S	*	*			trans	-93.2	129.7	151.5	-87.6	155.6	0	0	0	105.9
224	P	32.3	Very low	47.1	Very low	176 Å²	176	152.1 Å²	152.1	100%	1.143	77%	0.771	S	S	*	*				-78.2	0	119.6	31.1	-21.3	0	0	0	110.7

Retrieved 224 of 224 residues in 142.4 ms (Link to these results)

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