A0A3Q0KJY7_SCHMA Loading...

Nocturnin

AlphaFold DB , UniProt , Accession A0A3Q0KJY7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 338 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	35.4	Very low	50.7	Low	237 Å²	237	123.6 Å²	123.6	100%	1.167	68%	0.683	S	S	*	*				0	112.5	0	-71	176.6	-142.4	0	0	107	V3	M1-V3 PolarHBondContact O-N 2.99Å; M1-V3 VanDerWaalsContact O-N 3.13Å
2	S	36.4	Very low	53.8	Low	110 Å²	110	119.8 Å²	119.8	77%	0.769	67%	0.671	S	S	*	*			trans	-66.9	109.4	166.5	159.1	0	0	0	0	105.9	C4	S2-C4 VanDerWaalsContact C-N 3.34Å; S2-C4 PolarHBondContact O-N 2.81Å
3	V	38.1	Very low	57	Low	122 Å²	122	111.9 Å²	111.9	74%	0.739	62%	0.624	S	S	*	*			trans	-60	110.4	158.5	-176.3	0	0	0	0	103.1	M1 E5	M1-V3 PolarHBondContact O-N 2.99Å; M1-V3 VanDerWaalsContact O-N 3.13Å; V3-E5 PolarHBondContact O-N 2.95Å
4	C	37.6	Very low	59.8	Low	111 Å²	111	109.1 Å²	109.1	75%	0.75	62%	0.616	S	S	*	*			trans	-59.3	96.2	166.2	-72.2	0	0	0	0	105	S2 S6	S2-C4 VanDerWaalsContact C-N 3.34Å; S2-C4 PolarHBondContact O-N 2.81Å; C4-S6 PolarHBondContact O-N 3.04Å
5	E	36.7	Very low	62.4	Low	171 Å²	171	106.8 Å²	106.8	80%	0.799	59%	0.594	S	S	*	*			trans	-55.3	101.3	160.5	-74.4	179.8	167.4	0	0	104.3	V3 N7	V3-E5 PolarHBondContact O-N 2.95Å; E5-N7 PolarHBondContact O-N 3.06Å
6	S	44.1	Very low	64.6	Low	72 Å²	72	104 Å²	104	50%	0.503	58%	0.577	S	S	.	*			trans	-60.6	109.5	174.2	52.4	0	0	0	0	105.2	C4 E8	C4-S6 PolarHBondContact O-N 3.04Å; S6-E8 PolarHBondContact O-N 3.09Å
7	N	43.3	Very low	66.5	Low	162 Å²	162	104.1 Å²	104.1	87%	0.866	58%	0.576	S	S	*	*			trans	-64.1	37	165.5	-81.4	-22.9	0	0	0	111.1	E5 K9	E5-N7 PolarHBondContact O-N 3.06Å; N7-K9 PolarHBondContact O-N 2.69Å
8	E	59.7	Low	68.2	Low	66 Å²	66	101.6 Å²	101.6	31%	0.308	56%	0.562	S	S	.	*			trans	-70.4	104.3	175.4	-80.2	171.3	-156.5	0	0	106.8	S6 S10 R58 A319 I320	S6-E8 PolarHBondContact O-N 3.09Å; E8-S10 PolarHBondContact O-N 3.07Å; E8-R58 IonicContact OE1-CZ 2.71Å; E8-R58 IonicContact OE1-NH1 2.66Å; E8-R58 IonicContact OE1-NH2 3.93Å; E8-R58 PolarHBondContact OE1-NH2 3.1Å; E8-R58 IonicContact OE2-NH2 3.68Å; E8-R58 PolarHBondContact OE2-NH2 2.63Å; E8-A319 HydrophobicContact CG-CB 4.49Å; E8-I320 HydrophobicContact CB-CD1 3.91Å; E8-I320 HydrophobicContact CB-CG1 3.93Å; E8-I320 HydrophobicContact CG-CD1 4.18Å; E8-I320 HydrophobicContact CG-CG1 3.81Å
9	K	62.7	Low	69.6	Low	186 Å²	186	102.2 Å²	102.2	81%	0.809	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-58.5	119.5	172.5	-79.1	-176.3	176	-179.4	0	108.6	N7 Y11 I320	N7-K9 PolarHBondContact O-N 2.69Å; K9-Y11 PolarHBondContact O-N 2.86Å; K9-I320 VanDerWaalsContact O-CD1 3.29Å; K9-I320 WeakPolarHBondContact O-CD1 3.48Å
10	S	76.5	Confident	70.6	Confident	102 Å²	102	104.1 Å²	104.1	71%	0.713	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-56.2	139.4	167.2	-170.9	0	0	0	0	109.1	E8	E8-S10 PolarHBondContact O-N 3.07Å
11	Y	87.4	Confident	71.5	Confident	21 Å²	21	100.7 Å²	100.7	8%	0.082	55%	0.553	C	S	.	*	P	Polyproline II helix	trans	-96.3	164.5	165.9	65.9	-85.6	0	0	0	109.4	K9 R13 E66 R69 P306 I320 F321	K9-Y11 PolarHBondContact O-N 2.86Å; Y11-R13 HydrophobicContact CD2-CG 4.36Å; Y11-R13 HydrophobicContact CE2-CG 4.27Å; Y11-E66 PolarHBondContact OH-OE1 2.86Å; Y11-E66 PolarHBondContact OH-OE2 2.88Å; Y11-R69 PolarHBondContact OH-NH1 2.87Å; Y11-P306 HydrophobicContact CD2-CB 4.4Å; Y11-P306 HydrophobicContact CD2-CG 3.78Å; Y11-P306 HydrophobicContact CE2-CG 4.02Å; Y11-I320 HydrophobicContact CD1-CG2 3.7Å; Y11-I320 HydrophobicContact CE1-CG2 3.67Å; Y11-F321 AromaticContact CD1-CE1 3.7Å; Y11-F321 HydrophobicContact CD1-CE1 3.7Å; Y11-F321 HydrophobicContact CD1-CE2 4.44Å; Y11-F321 AromaticContact CD1-CZ 3.51Å; Y11-F321 HydrophobicContact CD1-CZ 3.51Å; Y11-F321 HydrophobicContact CD2-CE1 4.19Å; Y11-F321 HydrophobicContact CD2-CZ 4.25Å; Y11-F321 HydrophobicContact CE1-CD1 4.22Å; Y11-F321 AromaticContact CE1-CE1 3.46Å; Y11-F321 HydrophobicContact CE1-CE1 3.46Å; Y11-F321 VanDerWaalsContact CE1-CE1 3.46Å; Y11-F321 AromaticContact CE1-CZ 3.78Å; Y11-F321 HydrophobicContact CE1-CZ 3.78Å; Y11-F321 AromaticContact CE2-CE1 3.97Å; Y11-F321 HydrophobicContact CE2-CE1 3.97Å; Y11-F321 HydrophobicContact CE2-CZ 4.48Å; Y11-F321 HydrophobicContact CG-CE1 4.04Å; Y11-F321 AromaticContact CG-CZ 3.74Å; Y11-F321 HydrophobicContact CG-CZ 3.74Å; Y11-F321 AromaticContact CZ-CE1 3.56Å
12	S	87.7	Confident	73.9	Confident	77 Å²	77	94 Å²	94	54%	0.538	52%	0.522	S	S	.	.			trans	-123.6	161.4	171.5	51.3	0	0	0	0	109.6	E310	S12-E310 PolarHBondContact N-OE1 2.84Å; S12-E310 PolarHBondContact OG-OE1 2.75Å
13	R	95.6	Very high	76.2	Confident	18 Å²	18	98.8 Å²	98.8	7%	0.068	53%	0.529	C	S	.	.			trans	-127.4	138.2	166.1	-62.3	-176.7	-167.9	-148.3	11.4	107	Y11 E66 Y70 W303 S304 P306 N327	Y11-R13 HydrophobicContact CD2-CG 4.36Å; Y11-R13 HydrophobicContact CE2-CG 4.27Å; R13-E66 IonicContact CZ-OE1 3.21Å; R13-E66 IonicContact NE-OE1 3.43Å; R13-E66 IonicContact NH2-OE1 3.93Å; R13-E66 PolarHBondContact NH2-OE1 3.08Å; R13-Y70 WeakPolarHBondContact CD-OH 3.23Å; R13-Y70 WeakPolarHBondContact CG-OH 3.14Å; R13-Y70 PolarHBondContact NE-OH 3Å; R13-W303 HydrophobicContact CB-CE3 3.92Å; R13-S304 WeakPolarHBondContact CD-O 3.46Å; R13-S304 WeakPolarHBondContact CG-O 3.25Å; R13-P306 HydrophobicContact CG-CG 4.07Å; R13-N327 VanDerWaalsContact CZ-OD1 3.29Å; R13-N327 PolarHBondContact NH1-O 2.94Å; R13-N327 PolarHBondContact NH1-OD1 3.32Å; R13-N327 VanDerWaalsContact NH2-CG 3.31Å; R13-N327 PolarHBondContact NH2-ND2 2.79Å; R13-N327 PolarHBondContact NH2-OD1 2.89Å; R13-N327 VanDerWaalsContact NH2-OD1 3.1Å
14	S	96.2	Very high	78.5	Confident	73 Å²	73	98.5 Å²	98.5	51%	0.51	52%	0.523	S	S	.	.			trans	-85	150	170.1	55.7	0	0	0	0	109.5	S304	S14-S304 PolarHBondContact N-OG 3.07Å; S14-S304 WeakPolarHBondContact O-CB 2.9Å; S14-S304 PolarHBondContact O-N 3.05Å; S14-S304 PolarHBondContact O-OG 3.26Å; S14-S304 WeakPolarHBondContact OG-CB 3.33Å; S14-S304 PolarHBondContact OG-OG 3.22Å
15	Y	98.1	Very high	80.9	Confident	74 Å²	74	94.5 Å²	94.5	29%	0.29	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.2	169.2	-174.7	-104	0	0	0	108.6	D17 G301 W303 D331	Y15-D17 HydrophobicContact CD1-CB 4.25Å; Y15-D17 HydrophobicContact CE1-CB 4.15Å; Y15-G301 VanDerWaalsContact OH-CA 3.3Å; Y15-G301 WeakPolarHBondContact OH-CA 3.42Å; Y15-G301 PolarHBondContact OH-N 2.95Å; Y15-W303 AromaticContact CD2-CD1 3.92Å; Y15-W303 HydrophobicContact CD2-CD2 4.08Å; Y15-W303 AromaticContact CD2-CE2 3.84Å; Y15-W303 HydrophobicContact CD2-CG 4.18Å; Y15-W303 HydrophobicContact CD2-CZ2 4.38Å; Y15-W303 AromaticContact CD2-NE1 3.69Å; Y15-D331 WeakPolarHBondContact CE2-OD2 3.39Å; Y15-D331 PolarHBondContact OH-OD2 2.99Å
16	I	97.8	Very high	83.5	Confident	62 Å²	62	87.5 Å²	87.5	32%	0.318	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	101.8	176.1	-56.2	174	0	0	0	106.7	L18 A258 G301 V302	I16-L18 HydrophobicContact CG2-CD2 4.13Å; I16-A258 HydrophobicContact CG2-CB 4.49Å; I16-G301 CarbonylContact O-C 3.55Å; I16-G301 WeakPolarHBondContact O-CA 3.24Å; I16-V302 HydrophobicContact CB-CG2 4.17Å; I16-V302 HydrophobicContact CD1-CG2 4.1Å; I16-V302 HydrophobicContact CG1-CG2 4.49Å; I16-V302 PolarHBondContact N-O 3.48Å; I16-V302 PolarHBondContact O-N 3Å; I16-V302 VanDerWaalsContact O-N 3.14Å
17	D	97.5	Very high	85.9	Confident	106 Å²	106	89.8 Å²	89.8	57%	0.567	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.9	178.5	-155.3	-71.1	0	0	0	110.1	Y15	Y15-D17 HydrophobicContact CD1-CB 4.25Å; Y15-D17 HydrophobicContact CE1-CB 4.15Å
18	L	96.6	Very high	88.4	Confident	59 Å²	59	82.2 Å²	82.2	31%	0.309	42%	0.423	S	S	.	.			trans	-124.4	-48.7	-175.9	-62.3	174.4	0	0	0	112.1	I16 T257 A258 L299 L300	I16-L18 HydrophobicContact CG2-CD2 4.13Å; L18-T257 HydrophobicContact CD1-CG2 4.44Å; L18-A258 HydrophobicContact CD1-CB 3.87Å; L18-L299 HydrophobicContact CD1-CD2 3.44Å; L18-L299 VanDerWaalsContact CD1-CD2 3.44Å; L18-L299 HydrophobicContact CD1-CG 3.84Å; L18-L300 PolarHBondContact N-O 3.11Å
19	E	94.4	Very high	90.2	Very high	112 Å²	112	81.7 Å²	81.7	52%	0.523	42%	0.418	S	S	.	.			trans	-141.8	153.2	-173.3	-71.7	-71.1	-177.6	0	0	110.7	T298 L300	E19-T298 HydrophobicContact CB-CG2 3.73Å; E19-T298 HydrophobicContact CG-CG2 3.96Å; E19-L300 HydrophobicContact CB-CD2 4.48Å; E19-L300 PolarHBondContact N-O 2.7Å; E19-L300 VanDerWaalsContact O-CD2 3.26Å; E19-L300 WeakPolarHBondContact O-CD2 3.38Å
20	N	91.2	Very high	91.9	Very high	140 Å²	140	72.9 Å²	72.9	75%	0.749	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-88.9	150.5	173.3	-70.2	-73.9	0	0	0	111	L300	N20-L300 VanDerWaalsContact C-CD2 3.49Å
21	S	88.4	Confident	93	Very high	33 Å²	33	68 Å²	68	23%	0.231	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-94	143.3	173.6	31.5	0	0	0	0	111	K27 S333	S21-K27 WeakPolarHBondContact OG-CE 3.48Å; S21-K27 PolarHBondContact OG-NZ 3.01Å; S21-S333 WeakPolarHBondContact CB-OG 3.37Å
22	D	86.8	Confident	93.6	Very high	96 Å²	96	67 Å²	67	51%	0.513	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-69.3	145.1	167.9	-74.4	-43.8	0	0	0	110.2	N24 D25	D22-N24 PolarHBondContact O-N 3.24Å; D22-D25 HydrophobicContact CB-CB 4.49Å; D22-D25 PolarHBondContact O-N 3.46Å
23	K	84.6	Confident	94.1	Very high	211 Å²	211	63.6 Å²	63.6	92%	0.917	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.8	-177.2	-72.1	-174.1	179	180	0	114.2
24	N	84.8	Confident	94.2	Very high	116 Å²	116	62.8 Å²	62.8	62%	0.62	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-4.9	-176.9	-69.4	-46.6	0	0	0	113.3	D22	D22-N24 PolarHBondContact O-N 3.24Å
25	D	88.8	Confident	94.3	Very high	27 Å²	27	59.3 Å²	59.3	14%	0.144	29%	0.29	C	S	.	.	S	Bend	trans	-76.2	147.7	180	-74.9	-1	0	0	0	110.7	D22 S333	D22-D25 HydrophobicContact CB-CB 4.49Å; D22-D25 PolarHBondContact O-N 3.46Å; D25-S333 WeakPolarHBondContact CB-OG 3.32Å; D25-S333 PolarHBondContact OD2-OG 3.29Å
26	L	91.1	Very high	94.2	Very high	24 Å²	24	55.8 Å²	55.8	13%	0.126	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	127.2	167.8	173.1	69	0	0	0	108.4	Y132 P157 V159 I170 L334 L336	L26-Y132 HydrophobicContact CD2-CE1 4.43Å; L26-P157 HydrophobicContact CD2-CB 3.53Å; L26-P157 HydrophobicContact CD2-CG 3.28Å; L26-V159 HydrophobicContact CD1-CG1 4.18Å; L26-I170 HydrophobicContact CD2-CD1 4.21Å; L26-L334 HydrophobicContact CB-CB 4.29Å; L26-L334 HydrophobicContact CD2-CD1 4.24Å; L26-L334 PolarHBondContact N-O 2.99Å; L26-L334 PolarHBondContact O-N 3.15Å; L26-L336 HydrophobicContact CB-CD1 4.2Å; L26-L336 HydrophobicContact CB-CD2 3.74Å; L26-L336 HydrophobicContact CB-CG 3.98Å; L26-L336 HydrophobicContact CD2-CD2 4.32Å
27	K	94.4	Very high	94.2	Very high	121 Å²	121	52.8 Å²	52.8	53%	0.526	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	141.1	172.5	-57.3	-175.3	-170.2	-165.7	0	109.7	S21 Y132 L300 F332	S21-K27 WeakPolarHBondContact OG-CE 3.48Å; S21-K27 PolarHBondContact OG-NZ 3.01Å; K27-Y132 PolarHBondContact O-OH 2.83Å; K27-L300 HydrophobicContact CD-CD1 4.5Å; K27-L300 HydrophobicContact CG-CD1 4.49Å; K27-F332 WeakPolarHBondContact CA-O 3.34Å
28	I	96	Very high	94.1	Very high	2 Å²	2	49 Å²	49	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.4	172.2	-174.6	168.3	0	0	0	110.2	I30 D73 V74 Y132 I170 F221 F332 L334	I28-I30 HydrophobicContact CD1-CD1 4.41Å; I28-I30 HydrophobicContact CD1-CG1 4.17Å; I28-I30 HydrophobicContact CG1-CG1 4.03Å; I28-D73 WeakPolarHBondContact CA-OD2 2.92Å; I28-D73 HydrophobicContact CG1-CB 3.89Å; I28-V74 HydrophobicContact CD1-CG2 4.09Å; I28-Y132 HydrophobicContact CD1-CE1 4.39Å; I28-I170 HydrophobicContact CD1-CD1 3.94Å; I28-I170 HydrophobicContact CD1-CG2 4.34Å; I28-F221 HydrophobicContact CG2-CZ 4.16Å; I28-F332 HydrophobicContact CG2-CB 3.83Å; I28-F332 HydrophobicContact CG2-CD2 4.46Å; I28-F332 PolarHBondContact N-O 2.95Å; I28-F332 PolarHBondContact O-N 3.19Å; I28-L334 HydrophobicContact CG2-CD1 3.84Å; I28-L334 HydrophobicContact CG2-CD2 4.42Å; I28-L334 HydrophobicContact CG2-CG 3.98Å
29	R	98.4	Very high	94	Very high	56 Å²	56	46.3 Å²	46.3	21%	0.211	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.7	169.5	-178.8	167.7	-75.8	171.1	0.2	110.4	Y70 P72 D73 V74 I329 D331	R29-Y70 WeakPolarHBondContact CD-O 3.37Å; R29-Y70 PolarHBondContact NH1-O 2.86Å; R29-P72 HydrophobicContact CG-CB 4.07Å; R29-D73 PolarHBondContact N-OD2 3.2Å; R29-D73 PolarHBondContact O-N 2.05Å; R29-V74 PolarHBondContact O-N 2.67Å; R29-I329 HydrophobicContact CG-CG2 3.7Å; R29-D331 WeakPolarHBondContact CB-OD1 3.33Å; R29-D331 VanDerWaalsContact CG-OD1 3.27Å; R29-D331 WeakPolarHBondContact CG-OD1 3.39Å; R29-D331 IonicContact CZ-OD1 3.81Å; R29-D331 IonicContact CZ-OD2 3.61Å; R29-D331 IonicContact NE-OD1 3.59Å; R29-D331 PolarHBondContact NE-OD1 2.9Å; R29-D331 IonicContact NE-OD2 3.4Å; R29-D331 PolarHBondContact NE-OD2 3.05Å; R29-D331 IonicContact NH2-OD1 2.98Å; R29-D331 PolarHBondContact NH2-OD1 2.78Å; R29-D331 IonicContact NH2-OD2 2.69Å; R29-D331 PolarHBondContact NH2-OD2 3.13Å
30	I	98.8	Very high	94	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.1	178.2	-59	179.6	0	0	0	109.1	I28 F221 I329 A330 F332	I28-I30 HydrophobicContact CD1-CD1 4.41Å; I28-I30 HydrophobicContact CD1-CG1 4.17Å; I28-I30 HydrophobicContact CG1-CG1 4.03Å; I30-F221 HydrophobicContact CD1-CB 3.99Å; I30-F221 HydrophobicContact CD1-CD1 3.33Å; I30-F221 HydrophobicContact CD1-CD2 3.62Å; I30-F221 HydrophobicContact CD1-CE1 3.53Å; I30-F221 HydrophobicContact CD1-CE2 3.8Å; I30-F221 HydrophobicContact CD1-CG 3.36Å; I30-F221 HydrophobicContact CD1-CZ 3.74Å; I30-I329 WeakPolarHBondContact O-CA 3.06Å; I30-A330 PolarHBondContact N-O 3.22Å; I30-A330 PolarHBondContact O-N 3.37Å; I30-F332 HydrophobicContact CB-CE2 4.32Å; I30-F332 HydrophobicContact CD1-CD2 4.14Å; I30-F332 HydrophobicContact CD1-CE2 4.06Å; I30-F332 HydrophobicContact CG1-CD2 4.34Å; I30-F332 HydrophobicContact CG1-CE2 4.35Å
31	M	98.9	Very high	94	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.4	168.8	179.2	-178.4	-80.4	0	0	110	W33 I67 Y70 P72 V74 V75 C76 N327 L328 I329	M31-W33 HydrophobicContact SD-CE3 4.47Å; M31-I67 HydrophobicContact SD-CG1 3.97Å; M31-Y70 HydrophobicContact CE-CD2 4.16Å; M31-P72 HydrophobicContact CB-CB 3.87Å; M31-P72 HydrophobicContact CB-CG 4.11Å; M31-P72 HydrophobicContact CE-CG 4.33Å; M31-P72 HydrophobicContact SD-CG 4.38Å; M31-V74 PolarHBondContact N-O 3.32Å; M31-V75 HydrophobicContact CB-CB 4.43Å; M31-V75 HydrophobicContact CB-CG1 4.07Å; M31-V75 HydrophobicContact CB-CG2 4.22Å; M31-V75 HydrophobicContact CG-CG1 3.96Å; M31-V75 CarbonylContact O-C 3.53Å; M31-V75 VanDerWaalsContact O-CA 3.31Å; M31-V75 WeakPolarHBondContact O-CA 3.25Å; M31-V75 HydrophobicContact SD-CG1 3.88Å; M31-V75 HydrophobicContact SD-CG2 4.44Å; M31-C76 PolarHBondContact O-N 3.13Å; M31-N327 HydrophobicContact CE-CB 4.41Å; M31-N327 HydrophobicContact CG-CB 4.01Å; M31-N327 HydrophobicContact SD-CB 4.13Å; M31-L328 CarbonylContact C-O 3.54Å; M31-L328 WeakPolarHBondContact CA-O 3.09Å; M31-I329 HydrophobicContact CB-CG1 4.47Å; M31-I329 HydrophobicContact CE-CD1 3.48Å; M31-I329 VanDerWaalsContact CE-CD1 3.48Å; M31-I329 HydrophobicContact CE-CG1 3.77Å; M31-I329 HydrophobicContact CG-CG1 4.23Å
32	Q	98.8	Very high	93.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.5	168.9	170.1	-80.8	-32.8	0	0	108.8	C76 Q78 C223 D288 I290 N327 L328	Q32-C76 WeakPolarHBondContact CA-O 3.32Å; Q32-Q78 VanDerWaalsContact NE2-OE1 3.08Å; Q32-C223 HydrophobicContact CB-CB 4.02Å; Q32-C223 HydrophobicContact CG-CB 4.06Å; Q32-D288 PolarHBondContact NE2-OD1 2.96Å; Q32-I290 HydrophobicContact CB-CD1 4.08Å; Q32-I290 HydrophobicContact CB-CG1 3.69Å; Q32-N327 CarbonylContact O-C 3.54Å; Q32-N327 WeakPolarHBondContact O-CA 3.43Å; Q32-L328 HydrophobicContact CB-CB 4.48Å; Q32-L328 PolarHBondContact N-O 2.9Å; Q32-L328 PolarHBondContact O-N 3.2Å; Q32-L328 VanDerWaalsContact OE1-CG 3.24Å
33	W	98.8	Very high	93.6	Very high	5 Å²	5	37 Å²	37	2%	0.019	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	120.2	179.4	-162.5	10.7	0	0	0	112.5	M31 M35 I63 E66 C76 L77 Q78 P322 H325 N327	M31-W33 HydrophobicContact SD-CE3 4.47Å; W33-M35 PolarHBondContact O-N 3.17Å; W33-I63 HydrophobicContact CE3-CG2 4.48Å; W33-I63 HydrophobicContact CH2-CB 4.38Å; W33-I63 HydrophobicContact CH2-CG1 3.94Å; W33-I63 HydrophobicContact CH2-CG2 4.39Å; W33-I63 HydrophobicContact CZ3-CB 4.25Å; W33-I63 HydrophobicContact CZ3-CG1 4.21Å; W33-I63 HydrophobicContact CZ3-CG2 3.8Å; W33-E66 HydrophobicContact CH2-CB 4.19Å; W33-E66 HydrophobicContact CH2-CG 4Å; W33-E66 HydrophobicContact CZ3-CB 4.25Å; W33-E66 HydrophobicContact CZ3-CG 4.08Å; W33-C76 PolarHBondContact N-O 2.9Å; W33-L77 HydrophobicContact CB-CD2 3.89Å; W33-L77 VanDerWaalsContact O-CA 3.28Å; W33-L77 WeakPolarHBondContact O-CA 3.01Å; W33-Q78 PolarHBondContact O-N 2.89Å; W33-Q78 VanDerWaalsContact O-N 3.08Å; W33-P322 HydrophobicContact CH2-CG 3.77Å; W33-P322 HydrophobicContact CZ2-CG 3.89Å; W33-H325 PolarHBondContact NE1-O 3.29Å; W33-N327 HydrophobicContact CB-CB 3.81Å; W33-N327 HydrophobicContact CD2-CB 3.76Å; W33-N327 HydrophobicContact CE3-CB 4.18Å; W33-N327 HydrophobicContact CG-CB 3.59Å
34	N	98.7	Very high	93.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	111	155.8	-174.6	-21.9	0	0	0	107.7	L36 Q78 E79 D225 S323 H325	N34-L36 VanDerWaalsContact C-N 3.34Å; N34-L36 PolarHBondContact OD1-N 3.33Å; N34-L36 VanDerWaalsContact OD1-N 3.15Å; N34-Q78 HydrophobicContact CB-CB 4.1Å; N34-Q78 PolarHBondContact OD1-O 3.33Å; N34-E79 PolarHBondContact ND2-OE1 3.46Å; N34-E79 WeakPolarHBondContact OD1-CB 3.47Å; N34-E79 VanDerWaalsContact OD1-CG 3.31Å; N34-E79 WeakPolarHBondContact OD1-CG 3.44Å; N34-D225 HydrophobicContact CB-CB 4.22Å; N34-D225 PolarHBondContact ND2-OD2 3.45Å; N34-S323 PolarHBondContact O-OG 3.44Å; N34-H325 HydrophobicContact CB-CB 3.96Å
35	M	97.5	Very high	93	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.			trans	-87.3	-2.8	-169.9	60.3	167.8	-77.6	0	0	113.6	W33 R59 I63 L77 Q78 A80 I82 I86	W33-M35 PolarHBondContact O-N 3.17Å; M35-R59 PolarHBondContact O-NH2 3.28Å; M35-I63 HydrophobicContact CE-CD1 4.05Å; M35-L77 HydrophobicContact CB-CD2 4.3Å; M35-L77 HydrophobicContact CG-CB 4.48Å; M35-L77 HydrophobicContact SD-CB 4.36Å; M35-L77 HydrophobicContact SD-CD1 4.03Å; M35-Q78 VanDerWaalsContact CG-O 3.23Å; M35-Q78 WeakPolarHBondContact CG-O 3.3Å; M35-Q78 PolarHBondContact N-O 2.92Å; M35-A80 HydrophobicContact CG-CB 4.43Å; M35-A80 VanDerWaalsContact SD-CA 3.58Å; M35-A80 HydrophobicContact SD-CB 3.7Å; M35-I82 HydrophobicContact CE-CD1 4.21Å; M35-I82 HydrophobicContact CE-CG1 3.69Å; M35-I86 HydrophobicContact CE-CD1 3.36Å; M35-I86 HydrophobicContact SD-CD1 3.94Å
36	L	97	Very high	92.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.			trans	59.7	110.2	-170.3	175.5	65.9	0	0	0	111.8	N34 Q38 F40 I41 D44 F46 R59 E79 P317	N34-L36 VanDerWaalsContact C-N 3.34Å; N34-L36 PolarHBondContact OD1-N 3.33Å; N34-L36 VanDerWaalsContact OD1-N 3.15Å; L36-Q38 PolarHBondContact O-N 3.11Å; L36-F40 HydrophobicContact CD1-CB 3.8Å; L36-I41 HydrophobicContact CD2-CG1 4.16Å; L36-I41 HydrophobicContact CG-CG1 4.42Å; L36-D44 WeakPolarHBondContact CD1-OD2 3.44Å; L36-F46 HydrophobicContact CD1-CE2 4.04Å; L36-F46 HydrophobicContact CD1-CZ 4.02Å; L36-F46 HydrophobicContact CD2-CE2 3.65Å; L36-F46 HydrophobicContact CD2-CZ 3.91Å; L36-F46 HydrophobicContact CG-CE2 4.49Å; L36-R59 VanDerWaalsContact O-CZ 3.28Å; L36-R59 PolarHBondContact O-NH1 2.7Å; L36-R59 VanDerWaalsContact O-NH1 3.08Å; L36-R59 PolarHBondContact O-NH2 3.07Å; L36-E79 WeakPolarHBondContact CA-OE2 3.49Å; L36-P317 HydrophobicContact CD2-CG 4.35Å
37	A	97.1	Very high	92.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.			trans	-60.6	143.6	-179.1	0	0	0	0	0	111	G39 F40 E79 D81 D121	A37-G39 PolarHBondContact O-N 3.03Å; A37-F40 HydrophobicContact CB-CB 4.44Å; A37-F40 HydrophobicContact CB-CD2 3.4Å; A37-F40 VanDerWaalsContact CB-CD2 3.4Å; A37-F40 HydrophobicContact CB-CE2 3.96Å; A37-F40 HydrophobicContact CB-CG 4.2Å; A37-F40 PolarHBondContact O-N 3.25Å; A37-E79 WeakPolarHBondContact CA-O 3.38Å; A37-E79 HydrophobicContact CB-CB 4.1Å; A37-E79 VanDerWaalsContact CB-O 3.23Å; A37-E79 WeakPolarHBondContact CB-O 3.35Å; A37-E79 PolarHBondContact N-O 3.35Å; A37-E79 PolarHBondContact N-OE2 2.84Å; A37-D81 HydrophobicContact CB-CB 4.34Å; A37-D121 HydrophobicContact CB-CB 3.87Å
38	Q	95.9	Very high	92.1	Very high	26 Å²	26	26.1 Å²	26.1	12%	0.121	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-35.8	171.7	-170.4	61.6	36.2	0	0	111.4	L36 F40 I41 L54 F56 D81 I82	L36-Q38 PolarHBondContact O-N 3.11Å; Q38-F40 VanDerWaalsContact C-N 3.28Å; Q38-F40 PolarHBondContact O-N 3.16Å; Q38-I41 VanDerWaalsContact NE2-CD1 3.35Å; Q38-L54 PolarHBondContact NE2-O 2.89Å; Q38-L54 VanDerWaalsContact NE2-O 3.14Å; Q38-F56 HydrophobicContact CG-CB 4.46Å; Q38-D81 WeakPolarHBondContact CA-OD2 3.04Å; Q38-D81 WeakPolarHBondContact CB-OD2 3.4Å; Q38-D81 PolarHBondContact N-OD1 2.93Å; Q38-D81 PolarHBondContact N-OD2 3.25Å; Q38-I82 HydrophobicContact CB-CD1 4.46Å; Q38-I82 HydrophobicContact CB-CG2 3.81Å; Q38-I82 HydrophobicContact CG-CG2 4.46Å
39	G	94.5	Very high	91.8	Very high	2 Å²	2	26.2 Å²	26.2	2%	0.021	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.5	173.3	0	0	0	0	0	115.2	A37 D81 V114	A37-G39 PolarHBondContact O-N 3.03Å; G39-D81 PolarHBondContact N-OD2 3.02Å; G39-V114 WeakPolarHBondContact O-CG2 3.45Å
40	F	93.2	Very high	91.1	Very high	22 Å²	22	26.9 Å²	26.9	10%	0.096	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-20.9	179.8	-74.5	-53.7	0	0	0	114	L36 A37 Q38 L43 D44 E79 P110 D121	L36-F40 HydrophobicContact CD1-CB 3.8Å; A37-F40 HydrophobicContact CB-CB 4.44Å; A37-F40 HydrophobicContact CB-CD2 3.4Å; A37-F40 VanDerWaalsContact CB-CD2 3.4Å; A37-F40 HydrophobicContact CB-CE2 3.96Å; A37-F40 HydrophobicContact CB-CG 4.2Å; A37-F40 PolarHBondContact O-N 3.25Å; Q38-F40 VanDerWaalsContact C-N 3.28Å; Q38-F40 PolarHBondContact O-N 3.16Å; F40-L43 HydrophobicContact CD1-CD1 3.96Å; F40-L43 HydrophobicContact CE1-CD1 4.4Å; F40-L43 CarbonylContact O-C 3.3Å; F40-L43 WeakPolarHBondContact O-CA 3.49Å; F40-L43 WeakPolarHBondContact O-CB 3.22Å; F40-L43 PolarHBondContact O-N 2.99Å; F40-D44 WeakPolarHBondContact O-CB 3.44Å; F40-D44 PolarHBondContact O-N 3.45Å; F40-E79 HydrophobicContact CD2-CB 4.49Å; F40-E79 HydrophobicContact CD2-CG 4.41Å; F40-E79 WeakPolarHBondContact CD2-OE2 3.26Å; F40-E79 HydrophobicContact CE2-CB 4.49Å; F40-E79 HydrophobicContact CE2-CG 4.17Å; F40-P110 HydrophobicContact CE1-CB 4.02Å; F40-P110 HydrophobicContact CE1-CG 4.08Å; F40-P110 HydrophobicContact CZ-CG 4.38Å; F40-D121 HydrophobicContact CE2-CB 4.09Å
41	I	91.1	Very high	90.2	Very high	11 Å²	11	30.9 Å²	30.9	6%	0.056	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-49.3	177.5	-68.7	160.4	0	0	0	113.9	L36 Q38 L43 L54 R59	L36-I41 HydrophobicContact CD2-CG1 4.16Å; L36-I41 HydrophobicContact CG-CG1 4.42Å; Q38-I41 VanDerWaalsContact NE2-CD1 3.35Å; I41-L43 PolarHBondContact O-N 3.01Å; I41-L54 HydrophobicContact CD1-CB 3.77Å; I41-L54 WeakPolarHBondContact CD1-O 3.04Å; I41-L54 HydrophobicContact CG1-CB 4.2Å; I41-L54 HydrophobicContact CG1-CD1 4.25Å; I41-L54 HydrophobicContact CG2-CB 3.97Å; I41-L54 HydrophobicContact CG2-CD1 4.06Å; I41-R59 VanDerWaalsContact CD1-CD 3.5Å
42	P	85.6	Confident	89.7	Confident	75 Å²	75	38.7 Å²	38.7	49%	0.487	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-11.8	177	28.4	-35.1	0	0	0	113.7	V114	P42-V114 HydrophobicContact CG-CG1 3.82Å; P42-V114 HydrophobicContact CG-CG2 4.49Å
43	L	81.8	Confident	89.2	Confident	78 Å²	78	40.6 Å²	40.6	41%	0.408	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-31.9	-175.7	-60.5	179.5	0	0	0	113.4	F40 I41 E45 P110 V114	F40-L43 HydrophobicContact CD1-CD1 3.96Å; F40-L43 HydrophobicContact CE1-CD1 4.4Å; F40-L43 CarbonylContact O-C 3.3Å; F40-L43 WeakPolarHBondContact O-CA 3.49Å; F40-L43 WeakPolarHBondContact O-CB 3.22Å; F40-L43 PolarHBondContact O-N 2.99Å; I41-L43 PolarHBondContact O-N 3.01Å; L43-E45 PolarHBondContact O-N 3.45Å; L43-P110 HydrophobicContact CD1-CB 4.41Å; L43-V114 HydrophobicContact CD1-CG2 3.83Å; L43-V114 HydrophobicContact CD2-CG2 4.28Å; L43-V114 HydrophobicContact CG-CG2 4.08Å
44	D	76.5	Confident	88.9	Confident	32 Å²	32	40.4 Å²	40.4	17%	0.171	21%	0.209	C	C	.	.	S	Bend	trans	-86.1	-3.7	-168.1	-82.4	-12	0	0	0	115.1	L36 F40 F46 R272	L36-D44 WeakPolarHBondContact CD1-OD2 3.44Å; F40-D44 WeakPolarHBondContact O-CB 3.44Å; F40-D44 PolarHBondContact O-N 3.45Å; D44-F46 VanDerWaalsContact C-N 3.26Å; D44-F46 HydrophobicContact CB-CD2 3.92Å; D44-F46 HydrophobicContact CB-CE1 4.21Å; D44-F46 HydrophobicContact CB-CE2 3.34Å; D44-F46 HydrophobicContact CB-CZ 3.51Å; D44-F46 PolarHBondContact O-N 3.14Å; D44-F46 VanDerWaalsContact O-N 3.16Å; D44-R272 IonicContact OD2-NH2 3.34Å
45	E	80.1	Confident	88.7	Confident	50 Å²	50	42.2 Å²	42.2	23%	0.234	22%	0.222	C	C	.	.			trans	56.4	37	166.9	-61.8	176.5	168.8	0	0	113.4	L43 I47 S274 K275	L43-E45 PolarHBondContact O-N 3.45Å; E45-I47 PolarHBondContact O-N 2.85Å; E45-S274 WeakPolarHBondContact OE2-CA 3.45Å; E45-K275 WeakPolarHBondContact OE1-CD 3.16Å; E45-K275 WeakPolarHBondContact OE1-CE 3.43Å; E45-K275 VanDerWaalsContact OE1-CG 3.25Å; E45-K275 WeakPolarHBondContact OE1-CG 3.4Å; E45-K275 IonicContact OE1-NZ 3.84Å; E45-K275 PolarHBondContact OE1-NZ 3.48Å; E45-K275 PolarHBondContact OE2-N 3.09Å
46	F	83.6	Confident	88.5	Confident	21 Å²	21	44.4 Å²	44.4	9%	0.092	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-61.4	118.6	174.5	-58.3	-67.2	0	0	0	111	L36 D44 L54 R272 P317 D324	L36-F46 HydrophobicContact CD1-CE2 4.04Å; L36-F46 HydrophobicContact CD1-CZ 4.02Å; L36-F46 HydrophobicContact CD2-CE2 3.65Å; L36-F46 HydrophobicContact CD2-CZ 3.91Å; L36-F46 HydrophobicContact CG-CE2 4.49Å; D44-F46 VanDerWaalsContact C-N 3.26Å; D44-F46 HydrophobicContact CB-CD2 3.92Å; D44-F46 HydrophobicContact CB-CE1 4.21Å; D44-F46 HydrophobicContact CB-CE2 3.34Å; D44-F46 HydrophobicContact CB-CZ 3.51Å; D44-F46 PolarHBondContact O-N 3.14Å; D44-F46 VanDerWaalsContact O-N 3.16Å; F46-L54 HydrophobicContact CD2-CD1 4.36Å; F46-R272 HydrophobicContact CD1-CG 4.33Å; F46-P317 HydrophobicContact CB-CG 4.41Å; F46-P317 HydrophobicContact CD1-CG 4.06Å; F46-P317 HydrophobicContact CD2-CG 3.87Å; F46-P317 HydrophobicContact CE1-CG 4.26Å; F46-P317 HydrophobicContact CE2-CG 4.08Å; F46-P317 VanDerWaalsContact CG-CD 3.49Å; F46-P317 HydrophobicContact CG-CG 3.86Å; F46-P317 HydrophobicContact CZ-CG 4.26Å; F46-D324 HydrophobicContact CE1-CB 3.73Å; F46-D324 HydrophobicContact CZ-CB 3.86Å
47	I	84.4	Confident	88.4	Confident	65 Å²	65	50.5 Å²	50.5	33%	0.333	26%	0.26	S	S	.	.	S	Bend	trans	-87.3	-30.7	-171.2	53.2	154.6	0	0	0	114.5	E45 I271 K273 L280	E45-I47 PolarHBondContact O-N 2.85Å; I47-I271 HydrophobicContact CD1-CG2 4.17Å; I47-K273 HydrophobicContact CG2-CB 3.41Å; I47-K273 VanDerWaalsContact CG2-CB 3.41Å; I47-L280 HydrophobicContact CD1-CD1 4Å; I47-L280 HydrophobicContact CD1-CD2 3.43Å; I47-L280 VanDerWaalsContact CD1-CD2 3.43Å; I47-L280 HydrophobicContact CD1-CG 4.35Å
48	Y	88.4	Confident	88.3	Confident	102 Å²	102	53.7 Å²	53.7	40%	0.4	27%	0.272	S	S	.	.	S	Bend	trans	-99.2	-5.8	-173.1	-63.8	-57.8	0	0	0	114	I271 N314	Y48-I271 HydrophobicContact CD2-CB 4.06Å; Y48-I271 HydrophobicContact CD2-CD1 4.11Å; Y48-I271 HydrophobicContact CD2-CG2 4.28Å; Y48-I271 HydrophobicContact CE2-CB 3.96Å; Y48-I271 HydrophobicContact CE2-CD1 3.82Å; Y48-I271 HydrophobicContact CE2-CG2 3.72Å; Y48-N314 HydrophobicContact CD2-CB 4.23Å; Y48-N314 HydrophobicContact CG-CB 4.01Å
49	C	88.9	Confident	88.3	Confident	4 Å²	4	52.4 Å²	52.4	3%	0.027	27%	0.266	C	S	.	.	S	Bend	trans	-114.5	106.3	174.1	-167.8	0	0	0	0	109.6	C51 L54 P317 S318	C49-C51 PolarHBondContact O-N 3.38Å; C49-L54 HydrophobicContact CB-CD1 4.42Å; C49-P317 HydrophobicContact CB-CG 4.2Å; C49-P317 WeakPolarHBondContact CB-O 3.25Å; C49-S318 VanDerWaalsContact SG-C 3.52Å
50	P	83.3	Confident	88.4	Confident	70 Å²	70	52.8 Å²	52.8	46%	0.455	27%	0.269	S	S	.	.			trans	-57.3	134.7	176.7	-24.3	33.9	0	0	0	110.8	K52 M53	P50-K52 HydrophobicContact CB-CG 4Å; P50-K52 PolarHBondContact O-N 3Å; P50-M53 HydrophobicContact CB-CG 4.34Å; P50-M53 HydrophobicContact CG-CG 4.46Å; P50-M53 VanDerWaalsContact O-CB 3.31Å; P50-M53 WeakPolarHBondContact O-CB 3.38Å; P50-M53 PolarHBondContact O-N 2.76Å
51	C	81.1	Confident	88.5	Confident	86 Å²	86	56.4 Å²	56.4	58%	0.581	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-53.9	-28	-176.7	-57.8	0	0	0	0	114.2	C49 M53 L54 S55	C49-C51 PolarHBondContact O-N 3.38Å; C51-M53 PolarHBondContact O-N 3.48Å; C51-L54 CarbonylContact O-C 3.58Å; C51-L54 VanDerWaalsContact O-C 3.3Å; C51-L54 WeakPolarHBondContact O-CA 3.26Å; C51-L54 PolarHBondContact O-N 2.89Å; C51-S55 PolarHBondContact O-N 3.02Å
52	K	86.6	Confident	88.7	Confident	164 Å²	164	57.3 Å²	57.3	71%	0.713	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-60.5	-28	173.8	66.3	175.5	-176.3	178.1	0	113.7	P50 L54	P50-K52 HydrophobicContact CB-CG 4Å; P50-K52 PolarHBondContact O-N 3Å; K52-L54 PolarHBondContact O-N 3.16Å
53	M	89.8	Confident	89.3	Confident	39 Å²	39	53.7 Å²	53.7	19%	0.192	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-75.8	-14.6	175	-58.7	-51.6	-68.9	0	0	111.9	P50 C51 R58 A319	P50-M53 HydrophobicContact CB-CG 4.34Å; P50-M53 HydrophobicContact CG-CG 4.46Å; P50-M53 VanDerWaalsContact O-CB 3.31Å; P50-M53 WeakPolarHBondContact O-CB 3.38Å; P50-M53 PolarHBondContact O-N 2.76Å; C51-M53 PolarHBondContact O-N 3.48Å; M53-R58 WeakPolarHBondContact O-CD 3.37Å; M53-A319 HydrophobicContact CE-CB 3.49Å; M53-A319 VanDerWaalsContact CE-CB 3.49Å
54	L	92	Very high	90	Very high	2 Å²	2	50 Å²	50	1%	0.01	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-111.6	28	178	-56.8	176.7	0	0	0	111.2	Q38 I41 F46 C49 C51 K52 R59 P317	Q38-L54 PolarHBondContact NE2-O 2.89Å; Q38-L54 VanDerWaalsContact NE2-O 3.14Å; I41-L54 HydrophobicContact CD1-CB 3.77Å; I41-L54 WeakPolarHBondContact CD1-O 3.04Å; I41-L54 HydrophobicContact CG1-CB 4.2Å; I41-L54 HydrophobicContact CG1-CD1 4.25Å; I41-L54 HydrophobicContact CG2-CB 3.97Å; I41-L54 HydrophobicContact CG2-CD1 4.06Å; F46-L54 HydrophobicContact CD2-CD1 4.36Å; C49-L54 HydrophobicContact CB-CD1 4.42Å; C51-L54 CarbonylContact O-C 3.58Å; C51-L54 VanDerWaalsContact O-C 3.3Å; C51-L54 WeakPolarHBondContact O-CA 3.26Å; C51-L54 PolarHBondContact O-N 2.89Å; K52-L54 PolarHBondContact O-N 3.16Å; L54-R59 WeakPolarHBondContact O-CD 3.37Å; L54-P317 HydrophobicContact CD1-CB 4.4Å; L54-P317 HydrophobicContact CD1-CG 3.68Å; L54-P317 HydrophobicContact CD2-CB 3.98Å; L54-P317 HydrophobicContact CD2-CG 4.17Å
55	S	93.5	Very high	90.9	Very high	38 Å²	38	51.7 Å²	51.7	27%	0.266	25%	0.253	S	S	.	.			trans	-62	149.1	173.4	98.7	0	0	0	0	110.4	C51 E57 R58 R59	C51-S55 PolarHBondContact O-N 3.02Å; S55-E57 VanDerWaalsContact C-N 3.31Å; S55-E57 PolarHBondContact O-N 3.21Å; S55-E57 PolarHBondContact OG-OE2 3.03Å; S55-R58 PolarHBondContact O-N 3.33Å; S55-R58 PolarHBondContact OG-N 2.74Å; S55-R59 WeakPolarHBondContact O-CB 3.17Å; S55-R59 WeakPolarHBondContact O-CG 3.5Å; S55-R59 PolarHBondContact O-N 2.92Å
56	F	94.1	Very high	91.7	Very high	45 Å²	45	49.7 Å²	49.7	20%	0.197	24%	0.244	C	C	.	.	H	α-helix	trans	-50.1	-49.8	178.1	166.7	-106.1	0	0	0	112.2	Q38 R58 R59 C60 I82 D85 H118	Q38-F56 HydrophobicContact CG-CB 4.46Å; F56-R58 PolarHBondContact O-N 3.37Å; F56-R59 PolarHBondContact O-N 2.93Å; F56-C60 PolarHBondContact O-N 3.34Å; F56-C60 PolarHBondContact O-SG 3.39Å; F56-C60 VanDerWaalsContact O-SG 3.39Å; F56-I82 HydrophobicContact CD2-CB 4.3Å; F56-I82 HydrophobicContact CD2-CD1 4.17Å; F56-I82 HydrophobicContact CD2-CG2 3.74Å; F56-I82 HydrophobicContact CE2-CB 3.84Å; F56-I82 HydrophobicContact CE2-CD1 4.37Å; F56-I82 HydrophobicContact CE2-CG2 3.55Å; F56-D85 HydrophobicContact CE2-CB 4.07Å; F56-D85 HydrophobicContact CZ-CB 3.74Å; F56-D85 VanDerWaalsContact CZ-CG 3.49Å; F56-H118 AromaticContact CD2-CE1 3.47Å; F56-H118 VanDerWaalsContact CD2-CE1 3.47Å; F56-H118 WeakPolarHBondContact CD2-CE1 3.17Å; F56-H118 AromaticContact CD2-NE2 3.97Å; F56-H118 AromaticContact CE2-CE1 3.62Å; F56-H118 AromaticContact CE2-ND1 3.9Å; F56-H118 AromaticContact CG-CE1 3.91Å
57	E	94.7	Very high	92.3	Very high	129 Å²	129	48.7 Å²	48.7	60%	0.603	24%	0.239	S	C	*	.	H	α-helix	trans	-65.1	-42.5	-177.6	-54	75.9	-167	0	0	111.9	S55 K61	S55-E57 VanDerWaalsContact C-N 3.31Å; S55-E57 PolarHBondContact O-N 3.21Å; S55-E57 PolarHBondContact OG-OE2 3.03Å; E57-K61 PolarHBondContact O-N 3.12Å; E57-K61 VanDerWaalsContact O-N 3.15Å
58	R	94.9	Very high	92.9	Very high	66 Å²	66	47.9 Å²	47.9	25%	0.249	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-41.9	178.3	-177.8	171.7	170.6	102.4	1.3	110.7	E8 M53 S55 F56 K61 L62 A319	E8-R58 IonicContact OE1-CZ 2.71Å; E8-R58 IonicContact OE1-NH1 2.66Å; E8-R58 IonicContact OE1-NH2 3.93Å; E8-R58 PolarHBondContact OE1-NH2 3.1Å; E8-R58 IonicContact OE2-NH2 3.68Å; E8-R58 PolarHBondContact OE2-NH2 2.63Å; M53-R58 WeakPolarHBondContact O-CD 3.37Å; S55-R58 PolarHBondContact O-N 3.33Å; S55-R58 PolarHBondContact OG-N 2.74Å; F56-R58 PolarHBondContact O-N 3.37Å; R58-K61 WeakPolarHBondContact O-CB 3.12Å; R58-K61 PolarHBondContact O-N 3.44Å; R58-L62 HydrophobicContact CG-CD1 3.9Å; R58-L62 HydrophobicContact CG-CG 4.24Å; R58-L62 WeakPolarHBondContact O-CG 3.18Å; R58-L62 PolarHBondContact O-N 3.32Å; R58-A319 PolarHBondContact NH2-O 2.85Å
59	R	96.1	Very high	93.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.2	-42.8	179.8	-69.7	-175	71.1	-130.8	-1.5	112.2	M35 L36 I41 L54 S55 F56 K61 L62 I63 P322	M35-R59 PolarHBondContact O-NH2 3.28Å; L36-R59 VanDerWaalsContact O-CZ 3.28Å; L36-R59 PolarHBondContact O-NH1 2.7Å; L36-R59 VanDerWaalsContact O-NH1 3.08Å; L36-R59 PolarHBondContact O-NH2 3.07Å; I41-R59 VanDerWaalsContact CD1-CD 3.5Å; L54-R59 WeakPolarHBondContact O-CD 3.37Å; S55-R59 WeakPolarHBondContact O-CB 3.17Å; S55-R59 WeakPolarHBondContact O-CG 3.5Å; S55-R59 PolarHBondContact O-N 2.92Å; F56-R59 PolarHBondContact O-N 2.93Å; R59-K61 VanDerWaalsContact C-N 3.26Å; R59-K61 PolarHBondContact O-N 3.22Å; R59-L62 PolarHBondContact O-N 3.3Å; R59-I63 HydrophobicContact CB-CD1 4.36Å; R59-I63 VanDerWaalsContact O-CB 3.28Å; R59-I63 WeakPolarHBondContact O-CB 3.35Å; R59-I63 VanDerWaalsContact O-CG1 3.24Å; R59-I63 WeakPolarHBondContact O-CG1 3.35Å; R59-I63 PolarHBondContact O-N 3.48Å; R59-P322 HydrophobicContact CG-CB 4.31Å; R59-P322 PolarHBondContact NE-O 3.03Å; R59-P322 PolarHBondContact NH2-O 3.26Å
60	C	96.3	Very high	93.7	Very high	10 Å²	10	49.7 Å²	49.7	7%	0.068	24%	0.241	C	C	.	.	H	α-helix	trans	-53.8	-45.7	171.3	-75	0	0	0	0	111.2	F56 S64	F56-C60 PolarHBondContact O-N 3.34Å; F56-C60 PolarHBondContact O-SG 3.39Å; F56-C60 VanDerWaalsContact O-SG 3.39Å; C60-S64 WeakPolarHBondContact O-CB 3.45Å; C60-S64 PolarHBondContact O-N 2.97Å; C60-S64 VanDerWaalsContact O-N 3.11Å; C60-S64 PolarHBondContact O-OG 3.49Å
61	K	95.5	Very high	94.3	Very high	98 Å²	98	50 Å²	50	43%	0.426	24%	0.239	S	C	.	.	H	α-helix	trans	-61.9	-55	176.2	171.8	172.1	177.4	-171.6	0	112.4	E57 R58 R59 S64 E65 R93	E57-K61 PolarHBondContact O-N 3.12Å; E57-K61 VanDerWaalsContact O-N 3.15Å; R58-K61 WeakPolarHBondContact O-CB 3.12Å; R58-K61 PolarHBondContact O-N 3.44Å; R59-K61 VanDerWaalsContact C-N 3.26Å; R59-K61 PolarHBondContact O-N 3.22Å; K61-S64 PolarHBondContact O-N 3.45Å; K61-E65 WeakPolarHBondContact CE-OE1 3.43Å; K61-E65 HydrophobicContact CG-CG 4.42Å; K61-E65 IonicContact NZ-OE1 3.52Å; K61-E65 WeakPolarHBondContact O-CB 3.41Å; K61-E65 VanDerWaalsContact O-CG 3.3Å; K61-E65 WeakPolarHBondContact O-CG 3.4Å; K61-E65 PolarHBondContact O-N 3.48Å; K61-R93 VanDerWaalsContact CE-NH2 3.31Å
62	L	95.8	Very high	95.1	Very high	29 Å²	29	45.9 Å²	45.9	15%	0.152	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-42.8	-174.8	-71.6	176.7	0	0	0	112.6	R58 R59 S64 E65 E66 P322	R58-L62 HydrophobicContact CG-CD1 3.9Å; R58-L62 HydrophobicContact CG-CG 4.24Å; R58-L62 WeakPolarHBondContact O-CG 3.18Å; R58-L62 PolarHBondContact O-N 3.32Å; R59-L62 PolarHBondContact O-N 3.3Å; L62-S64 VanDerWaalsContact C-N 3.33Å; L62-E65 PolarHBondContact O-N 2.95Å; L62-E66 WeakPolarHBondContact O-CB 3.09Å; L62-E66 PolarHBondContact O-N 3.35Å; L62-P322 HydrophobicContact CB-CB 4.08Å; L62-P322 HydrophobicContact CB-CG 4.03Å; L62-P322 HydrophobicContact CD1-CB 4.3Å
63	I	97.5	Very high	95.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.6	-43.2	177.5	-67.4	169.6	0	0	0	110.1	W33 M35 R59 E66 I67 I86 P322	W33-I63 HydrophobicContact CE3-CG2 4.48Å; W33-I63 HydrophobicContact CH2-CB 4.38Å; W33-I63 HydrophobicContact CH2-CG1 3.94Å; W33-I63 HydrophobicContact CH2-CG2 4.39Å; W33-I63 HydrophobicContact CZ3-CB 4.25Å; W33-I63 HydrophobicContact CZ3-CG1 4.21Å; W33-I63 HydrophobicContact CZ3-CG2 3.8Å; M35-I63 HydrophobicContact CE-CD1 4.05Å; R59-I63 HydrophobicContact CB-CD1 4.36Å; R59-I63 VanDerWaalsContact O-CB 3.28Å; R59-I63 WeakPolarHBondContact O-CB 3.35Å; R59-I63 VanDerWaalsContact O-CG1 3.24Å; R59-I63 WeakPolarHBondContact O-CG1 3.35Å; R59-I63 PolarHBondContact O-N 3.48Å; I63-E66 PolarHBondContact O-N 3.17Å; I63-I67 HydrophobicContact CG2-CD1 3.95Å; I63-I67 WeakPolarHBondContact O-CG1 3.29Å; I63-I67 PolarHBondContact O-N 2.82Å; I63-I86 HydrophobicContact CD1-CD1 4.09Å; I63-I86 HydrophobicContact CG2-CD1 3.9Å; I63-I86 HydrophobicContact CG2-CG1 4.22Å; I63-I86 HydrophobicContact CG2-CG2 3.97Å; I63-P322 HydrophobicContact CG1-CB 4Å; I63-P322 HydrophobicContact CG1-CG 3.67Å
64	S	96.6	Very high	96.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.3	-41.5	178.4	-56.7	0	0	0	0	112.2	C60 K61 L62 E66 I67 L68 I86 C89 L90	C60-S64 WeakPolarHBondContact O-CB 3.45Å; C60-S64 PolarHBondContact O-N 2.97Å; C60-S64 VanDerWaalsContact O-N 3.11Å; C60-S64 PolarHBondContact O-OG 3.49Å; K61-S64 PolarHBondContact O-N 3.45Å; L62-S64 VanDerWaalsContact C-N 3.33Å; S64-E66 VanDerWaalsContact C-N 3.33Å; S64-I67 PolarHBondContact O-N 2.76Å; S64-L68 WeakPolarHBondContact O-CB 3.39Å; S64-L68 VanDerWaalsContact O-CG 3.28Å; S64-L68 WeakPolarHBondContact O-CG 2.91Å; S64-L68 PolarHBondContact O-N 2.94Å; S64-I86 PolarHBondContact OG-O 3.26Å; S64-C89 WeakPolarHBondContact OG-CB 3.49Å; S64-L90 VanDerWaalsContact O-CD2 3.28Å; S64-L90 WeakPolarHBondContact O-CD2 3.03Å
65	E	95.4	Very high	96.4	Very high	68 Å²	68	37.2 Å²	37.2	32%	0.318	17%	0.173	S	C	.	.	H	α-helix	trans	-63.9	-38.5	175.9	-75.2	173.2	168.9	0	0	111.9	K61 L62 L68 R69 R93	K61-E65 WeakPolarHBondContact CE-OE1 3.43Å; K61-E65 HydrophobicContact CG-CG 4.42Å; K61-E65 IonicContact NZ-OE1 3.52Å; K61-E65 WeakPolarHBondContact O-CB 3.41Å; K61-E65 VanDerWaalsContact O-CG 3.3Å; K61-E65 WeakPolarHBondContact O-CG 3.4Å; K61-E65 PolarHBondContact O-N 3.48Å; L62-E65 PolarHBondContact O-N 2.95Å; E65-L68 PolarHBondContact O-N 2.97Å; E65-R69 VanDerWaalsContact O-CB 3.27Å; E65-R69 WeakPolarHBondContact O-CB 3.15Å; E65-R69 PolarHBondContact O-N 3.14Å; E65-R93 IonicContact OE1-CZ 3.76Å; E65-R93 IonicContact OE1-NE 2.75Å; E65-R93 IonicContact OE1-NH2 3.89Å; E65-R93 PolarHBondContact OE1-NH2 2.96Å
66	E	96.7	Very high	96.7	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.037	16%	0.161	C	C	.	.	H	α-helix	trans	-67.7	-44.7	177.2	-176.8	68.1	173	0	0	112.2	Y11 R13 W33 L62 I63 S64 R69 Y70 N327	Y11-E66 PolarHBondContact OH-OE1 2.86Å; Y11-E66 PolarHBondContact OH-OE2 2.88Å; R13-E66 IonicContact CZ-OE1 3.21Å; R13-E66 IonicContact NE-OE1 3.43Å; R13-E66 IonicContact NH2-OE1 3.93Å; R13-E66 PolarHBondContact NH2-OE1 3.08Å; W33-E66 HydrophobicContact CH2-CB 4.19Å; W33-E66 HydrophobicContact CH2-CG 4Å; W33-E66 HydrophobicContact CZ3-CB 4.25Å; W33-E66 HydrophobicContact CZ3-CG 4.08Å; L62-E66 WeakPolarHBondContact O-CB 3.09Å; L62-E66 PolarHBondContact O-N 3.35Å; I63-E66 PolarHBondContact O-N 3.17Å; S64-E66 VanDerWaalsContact C-N 3.33Å; E66-R69 WeakPolarHBondContact O-CB 3.32Å; E66-R69 PolarHBondContact O-N 2.92Å; E66-R69 IonicContact OE2-CZ 3.24Å; E66-R69 IonicContact OE2-NH1 2.82Å; E66-R69 PolarHBondContact OE2-NH1 3.33Å; E66-Y70 WeakPolarHBondContact O-CD2 3.47Å; E66-Y70 PolarHBondContact O-N 3.31Å; E66-Y70 WeakPolarHBondContact OE1-CE2 3.39Å; E66-N327 WeakPolarHBondContact CG-ND2 3.35Å; E66-N327 PolarHBondContact OE1-ND2 3.48Å
67	I	97.8	Very high	96.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.1	-48.1	174.1	-70.4	167.5	0	0	0	109.8	M31 I63 S64 R69 Y70 D71 P72 V75 I86 L90 I126	M31-I67 HydrophobicContact SD-CG1 3.97Å; I63-I67 HydrophobicContact CG2-CD1 3.95Å; I63-I67 WeakPolarHBondContact O-CG1 3.29Å; I63-I67 PolarHBondContact O-N 2.82Å; S64-I67 PolarHBondContact O-N 2.76Å; I67-R69 VanDerWaalsContact C-N 3.3Å; I67-R69 PolarHBondContact O-N 2.82Å; I67-Y70 PolarHBondContact O-N 3.48Å; I67-D71 PolarHBondContact O-N 3.06Å; I67-P72 HydrophobicContact CG2-CG 3.92Å; I67-P72 WeakPolarHBondContact O-CD 3.33Å; I67-V75 HydrophobicContact CD1-CG1 4.47Å; I67-V75 HydrophobicContact CG2-CG2 4.23Å; I67-I86 HydrophobicContact CD1-CG2 4.31Å; I67-L90 HydrophobicContact CB-CD2 3.87Å; I67-L90 HydrophobicContact CD1-CD1 4.05Å; I67-L90 HydrophobicContact CG2-CD1 4.08Å; I67-L90 HydrophobicContact CG2-CD2 3.74Å; I67-I126 HydrophobicContact CD1-CD1 4.09Å
68	L	96.5	Very high	97.1	Very high	48 Å²	48	27.1 Å²	27.1	25%	0.251	12%	0.123	S	C	.	.	H	α-helix	trans	-64.6	-32.5	179.7	-72	170.7	0	0	0	113.3	S64 E65 Y70 D71 L90 R93 Y99	S64-L68 WeakPolarHBondContact O-CB 3.39Å; S64-L68 VanDerWaalsContact O-CG 3.28Å; S64-L68 WeakPolarHBondContact O-CG 2.91Å; S64-L68 PolarHBondContact O-N 2.94Å; E65-L68 PolarHBondContact O-N 2.97Å; L68-Y70 PolarHBondContact O-N 2.85Å; L68-D71 PolarHBondContact O-N 3.12Å; L68-L90 HydrophobicContact CD1-CD2 4.22Å; L68-L90 HydrophobicContact CD2-CD2 4.18Å; L68-L90 HydrophobicContact CG-CD2 3.71Å; L68-R93 HydrophobicContact CD1-CB 3.56Å; L68-Y99 HydrophobicContact CD2-CE2 4.13Å
69	R	96.1	Very high	97.3	Very high	133 Å²	133	25.1 Å²	25.1	50%	0.502	12%	0.116	S	C	.	.	H	α-helix	trans	-58.2	-38.1	177	172.7	-179.5	-73.5	162.1	-9.7	111.9	Y11 E65 E66 I67	Y11-R69 PolarHBondContact OH-NH1 2.87Å; E65-R69 VanDerWaalsContact O-CB 3.27Å; E65-R69 WeakPolarHBondContact O-CB 3.15Å; E65-R69 PolarHBondContact O-N 3.14Å; E66-R69 WeakPolarHBondContact O-CB 3.32Å; E66-R69 PolarHBondContact O-N 2.92Å; E66-R69 IonicContact OE2-CZ 3.24Å; E66-R69 IonicContact OE2-NH1 2.82Å; E66-R69 PolarHBondContact OE2-NH1 3.33Å; I67-R69 VanDerWaalsContact C-N 3.3Å; I67-R69 PolarHBondContact O-N 2.82Å
70	Y	97.2	Very high	97.4	Very high	11 Å²	11	25.1 Å²	25.1	4%	0.043	12%	0.116	C	C	.	.	H	α-helix	trans	-103.1	-4.9	-179.2	-61.7	-75.1	0	0	0	113.8	R13 R29 M31 E66 I67 L68 W303 I329	R13-Y70 WeakPolarHBondContact CD-OH 3.23Å; R13-Y70 WeakPolarHBondContact CG-OH 3.14Å; R13-Y70 PolarHBondContact NE-OH 3Å; R29-Y70 WeakPolarHBondContact CD-O 3.37Å; R29-Y70 PolarHBondContact NH1-O 2.86Å; M31-Y70 HydrophobicContact CE-CD2 4.16Å; E66-Y70 WeakPolarHBondContact O-CD2 3.47Å; E66-Y70 PolarHBondContact O-N 3.31Å; E66-Y70 WeakPolarHBondContact OE1-CE2 3.39Å; I67-Y70 PolarHBondContact O-N 3.48Å; L68-Y70 PolarHBondContact O-N 2.85Å; Y70-W303 AromaticContact CD1-CD2 3.78Å; Y70-W303 HydrophobicContact CD1-CD2 3.78Å; Y70-W303 AromaticContact CD1-CE2 3.79Å; Y70-W303 HydrophobicContact CD1-CE3 4.15Å; Y70-W303 HydrophobicContact CD1-CG 4.14Å; Y70-W303 HydrophobicContact CD1-CH2 4.44Å; Y70-W303 HydrophobicContact CD1-CZ2 4.13Å; Y70-W303 HydrophobicContact CD1-CZ3 4.46Å; Y70-W303 AromaticContact CE1-CD2 3.66Å; Y70-W303 HydrophobicContact CE1-CD2 3.66Å; Y70-W303 AromaticContact CE1-CE3 3.58Å; Y70-W303 HydrophobicContact CE1-CE3 3.58Å; Y70-W303 HydrophobicContact CE1-CG 4.18Å; Y70-W303 HydrophobicContact CE1-CH2 4.27Å; Y70-W303 HydrophobicContact CE1-CZ2 4.37Å; Y70-W303 AromaticContact CE1-CZ3 3.89Å; Y70-W303 HydrophobicContact CE1-CZ3 3.89Å; Y70-I329 HydrophobicContact CD1-CD1 3.65Å; Y70-I329 HydrophobicContact CD2-CD1 3.4Å; Y70-I329 VanDerWaalsContact CD2-CD1 3.4Å; Y70-I329 HydrophobicContact CE1-CD1 4.21Å; Y70-I329 HydrophobicContact CE2-CD1 3.99Å; Y70-I329 HydrophobicContact CG-CD1 3.22Å
71	D	96.7	Very high	97.4	Very high	75 Å²	75	25.2 Å²	25.2	40%	0.401	12%	0.116	S	C	.	.			trans	40	56.4	177.7	-161.3	38.8	0	0	0	113.8	I67 L68 Y99 R128	I67-D71 PolarHBondContact O-N 3.06Å; L68-D71 PolarHBondContact O-N 3.12Å; D71-Y99 PolarHBondContact OD1-OH 3.45Å; D71-R128 IonicContact OD1-NH1 2.91Å; D71-R128 PolarHBondContact OD1-NH1 3.23Å; D71-R128 IonicContact OD2-NH1 3.77Å
72	P	98.3	Very high	97.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.096	C	C	.	.			trans	-70	147	179.9	31.6	-35.4	0	0	0	111.5	R29 M31 I67 V75	R29-P72 HydrophobicContact CG-CB 4.07Å; M31-P72 HydrophobicContact CB-CB 3.87Å; M31-P72 HydrophobicContact CB-CG 4.11Å; M31-P72 HydrophobicContact CE-CG 4.33Å; M31-P72 HydrophobicContact SD-CG 4.38Å; I67-P72 HydrophobicContact CG2-CG 3.92Å; I67-P72 WeakPolarHBondContact O-CD 3.33Å; P72-V75 HydrophobicContact CB-CG2 4.1Å; P72-V75 HydrophobicContact CG-CG2 3.43Å; P72-V75 VanDerWaalsContact CG-CG2 3.43Å
73	D	98.3	Very high	97.6	Very high	22 Å²	22	19.5 Å²	19.5	12%	0.118	9%	0.09	C	C	.	.	S	Bend	trans	-72.4	-35.1	172.8	-71.2	-68.7	0	0	0	111.8	I28 R29 Y127 R128 N131 Y132	I28-D73 WeakPolarHBondContact CA-OD2 2.92Å; I28-D73 HydrophobicContact CG1-CB 3.89Å; R29-D73 PolarHBondContact N-OD2 3.2Å; R29-D73 PolarHBondContact O-N 2.05Å; D73-Y127 CarbonylContact O-C 3.6Å; D73-Y127 VanDerWaalsContact O-CA 3.3Å; D73-Y127 WeakPolarHBondContact O-CA 3.25Å; D73-R128 PolarHBondContact O-N 3.36Å; D73-N131 PolarHBondContact OD1-ND2 3.27Å; D73-Y132 HydrophobicContact CB-CD2 4.49Å; D73-Y132 HydrophobicContact CB-CE2 3.6Å; D73-Y132 WeakPolarHBondContact OD1-CE2 3.4Å
74	V	98.6	Very high	97.6	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	137	-177.7	-177.5	0	0	0	0	110.3	I28 R29 M31 V125 I126 L172	I28-V74 HydrophobicContact CD1-CG2 4.09Å; R29-V74 PolarHBondContact O-N 2.67Å; M31-V74 PolarHBondContact N-O 3.32Å; V74-V125 HydrophobicContact CG1-CG1 3.66Å; V74-I126 CarbonylContact C-O 3.54Å; V74-I126 WeakPolarHBondContact CA-O 3.42Å; V74-L172 HydrophobicContact CG1-CD2 3.42Å; V74-L172 VanDerWaalsContact CG1-CD2 3.42Å
75	V	98.9	Very high	97.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	114.8	178.2	-168	0	0	0	0	110.3	M31 I67 P72 L77 V125 I126	M31-V75 HydrophobicContact CB-CB 4.43Å; M31-V75 HydrophobicContact CB-CG1 4.07Å; M31-V75 HydrophobicContact CB-CG2 4.22Å; M31-V75 HydrophobicContact CG-CG1 3.96Å; M31-V75 CarbonylContact O-C 3.53Å; M31-V75 VanDerWaalsContact O-CA 3.31Å; M31-V75 WeakPolarHBondContact O-CA 3.25Å; M31-V75 HydrophobicContact SD-CG1 3.88Å; M31-V75 HydrophobicContact SD-CG2 4.44Å; I67-V75 HydrophobicContact CD1-CG1 4.47Å; I67-V75 HydrophobicContact CG2-CG2 4.23Å; P72-V75 HydrophobicContact CB-CG2 4.1Å; P72-V75 HydrophobicContact CG-CG2 3.43Å; P72-V75 VanDerWaalsContact CG-CG2 3.43Å; V75-L77 HydrophobicContact CG1-CD2 3.6Å; V75-L77 HydrophobicContact CG1-CG 3.91Å; V75-V125 CarbonylContact O-C 3.6Å; V75-V125 VanDerWaalsContact O-CA 3.26Å; V75-V125 WeakPolarHBondContact O-CA 3.5Å; V75-I126 HydrophobicContact CB-CB 4.06Å; V75-I126 HydrophobicContact CG2-CB 4.31Å; V75-I126 PolarHBondContact N-O 3.4Å; V75-I126 PolarHBondContact O-N 2.65Å
76	C	98.9	Very high	97.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	115.6	172.4	-71	0	0	0	0	111	M31 Q32 W33 Q78 L172 C174 C223	M31-C76 PolarHBondContact O-N 3.13Å; Q32-C76 WeakPolarHBondContact CA-O 3.32Å; W33-C76 PolarHBondContact N-O 2.9Å; C76-Q78 PolarHBondContact O-NE2 3.14Å; C76-L172 WeakPolarHBondContact SG-CD2 3.1Å; C76-C174 HydrophobicContact CB-CB 4.1Å; C76-C223 HydrophobicContact CB-CB 3.6Å; C76-C223 VanDerWaalsContact SG-CB 3.57Å
77	L	98.9	Very high	97.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.1	-176.5	-60.1	173.9	0	0	0	112.2	W33 M35 V75 A80 I83 L123 A124 I126	W33-L77 HydrophobicContact CB-CD2 3.89Å; W33-L77 VanDerWaalsContact O-CA 3.28Å; W33-L77 WeakPolarHBondContact O-CA 3.01Å; M35-L77 HydrophobicContact CB-CD2 4.3Å; M35-L77 HydrophobicContact CG-CB 4.48Å; M35-L77 HydrophobicContact SD-CB 4.36Å; M35-L77 HydrophobicContact SD-CD1 4.03Å; V75-L77 HydrophobicContact CG1-CD2 3.6Å; V75-L77 HydrophobicContact CG1-CG 3.91Å; L77-A80 HydrophobicContact CB-CB 4.23Å; L77-I83 HydrophobicContact CD1-CD1 3.54Å; L77-L123 WeakPolarHBondContact O-CA 3.49Å; L77-A124 HydrophobicContact CB-CB 4.16Å; L77-A124 HydrophobicContact CD1-CB 4.44Å; L77-A124 PolarHBondContact N-O 3.39Å; L77-A124 PolarHBondContact O-N 3.36Å; L77-I126 HydrophobicContact CD1-CD1 3.71Å; L77-I126 HydrophobicContact CD1-CG1 4.05Å
78	Q	98.6	Very high	97.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	152.1	169	-58.4	74.3	64.2	0	0	109.2	Q32 W33 N34 M35 C76 A80 L123 C174 L175 H176 D225	Q32-Q78 VanDerWaalsContact NE2-OE1 3.08Å; W33-Q78 PolarHBondContact O-N 2.89Å; W33-Q78 VanDerWaalsContact O-N 3.08Å; N34-Q78 HydrophobicContact CB-CB 4.1Å; N34-Q78 PolarHBondContact OD1-O 3.33Å; M35-Q78 VanDerWaalsContact CG-O 3.23Å; M35-Q78 WeakPolarHBondContact CG-O 3.3Å; M35-Q78 PolarHBondContact N-O 2.92Å; C76-Q78 PolarHBondContact O-NE2 3.14Å; Q78-A80 PolarHBondContact O-N 3.24Å; Q78-L123 HydrophobicContact CB-CD2 4.33Å; Q78-L123 HydrophobicContact CG-CD2 3.88Å; Q78-C174 PolarHBondContact NE2-SG 3.08Å; Q78-L175 WeakPolarHBondContact CG-O 3.44Å; Q78-H176 HydrophobicContact CB-CB 4.02Å; Q78-H176 HydrophobicContact CG-CB 3.76Å; Q78-D225 HydrophobicContact CG-CB 4.17Å
79	E	97.9	Very high	97.8	Very high	23 Å²	23	30.9 Å²	30.9	11%	0.107	14%	0.142	C	C	.	.	S	Bend	trans	58.1	33.7	-174.2	-55	-169.6	-175.4	0	0	113.4	N34 L36 A37 F40 G122 H176	N34-E79 PolarHBondContact ND2-OE1 3.46Å; N34-E79 WeakPolarHBondContact OD1-CB 3.47Å; N34-E79 VanDerWaalsContact OD1-CG 3.31Å; N34-E79 WeakPolarHBondContact OD1-CG 3.44Å; L36-E79 WeakPolarHBondContact CA-OE2 3.49Å; A37-E79 WeakPolarHBondContact CA-O 3.38Å; A37-E79 HydrophobicContact CB-CB 4.1Å; A37-E79 VanDerWaalsContact CB-O 3.23Å; A37-E79 WeakPolarHBondContact CB-O 3.35Å; A37-E79 PolarHBondContact N-O 3.35Å; A37-E79 PolarHBondContact N-OE2 2.84Å; F40-E79 HydrophobicContact CD2-CB 4.49Å; F40-E79 HydrophobicContact CD2-CG 4.41Å; F40-E79 WeakPolarHBondContact CD2-OE2 3.26Å; F40-E79 HydrophobicContact CE2-CB 4.49Å; F40-E79 HydrophobicContact CE2-CG 4.17Å; E79-G122 PolarHBondContact N-O 3.44Å; E79-H176 IonicContact OE1-CE1 3.85Å; E79-H176 PolarHBondContact OE1-CE1 2.9Å
80	A	98.4	Very high	97.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.118	C	C	.	.			trans	-77.5	126.5	176.9	0	0	0	0	0	111	M35 L77 Q78 F103 D121 G122 A124	M35-A80 HydrophobicContact CG-CB 4.43Å; M35-A80 VanDerWaalsContact SD-CA 3.58Å; M35-A80 HydrophobicContact SD-CB 3.7Å; L77-A80 HydrophobicContact CB-CB 4.23Å; Q78-A80 PolarHBondContact O-N 3.24Å; A80-F103 HydrophobicContact CB-CE2 4.16Å; A80-F103 WeakPolarHBondContact O-CE2 3.4Å; A80-F103 WeakPolarHBondContact O-CZ 3.39Å; A80-D121 CarbonylContact O-C 3.45Å; A80-D121 WeakPolarHBondContact O-CA 3.26Å; A80-G122 PolarHBondContact N-O 3.49Å; A80-G122 PolarHBondContact O-N 3.27Å; A80-A124 HydrophobicContact CB-CB 3.77Å
81	D	97.2	Very high	97.9	Very high	13 Å²	13	24.9 Å²	24.9	7%	0.07	12%	0.121	C	C	.	.	S	Bend	trans	-132.4	-26.4	171.8	61.6	-14.1	0	0	0	112.6	A37 Q38 G39 H118	A37-D81 HydrophobicContact CB-CB 4.34Å; Q38-D81 WeakPolarHBondContact CA-OD2 3.04Å; Q38-D81 WeakPolarHBondContact CB-OD2 3.4Å; Q38-D81 PolarHBondContact N-OD1 2.93Å; Q38-D81 PolarHBondContact N-OD2 3.25Å; G39-D81 PolarHBondContact N-OD2 3.02Å; D81-H118 HydrophobicContact CB-CB 4.46Å
82	I	96.8	Very high	97.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	13%	0.13	C	C	.	.	S	Bend	trans	-106.1	25.8	-179.5	59.9	171.5	0	0	0	113.3	M35 Q38 F56 K84 D85 I86 H118	M35-I82 HydrophobicContact CE-CD1 4.21Å; M35-I82 HydrophobicContact CE-CG1 3.69Å; Q38-I82 HydrophobicContact CB-CD1 4.46Å; Q38-I82 HydrophobicContact CB-CG2 3.81Å; Q38-I82 HydrophobicContact CG-CG2 4.46Å; F56-I82 HydrophobicContact CD2-CB 4.3Å; F56-I82 HydrophobicContact CD2-CD1 4.17Å; F56-I82 HydrophobicContact CD2-CG2 3.74Å; F56-I82 HydrophobicContact CE2-CB 3.84Å; F56-I82 HydrophobicContact CE2-CD1 4.37Å; F56-I82 HydrophobicContact CE2-CG2 3.55Å; I82-K84 VanDerWaalsContact C-N 3.29Å; I82-K84 PolarHBondContact O-N 2.96Å; I82-D85 PolarHBondContact O-N 2.79Å; I82-D85 VanDerWaalsContact O-N 3.14Å; I82-I86 HydrophobicContact CD1-CD1 4.22Å; I82-I86 HydrophobicContact CD1-CG1 4.48Å; I82-I86 HydrophobicContact CG1-CD1 3.82Å; I82-I86 HydrophobicContact CG1-CG1 4.3Å; I82-I86 PolarHBondContact O-N 3.36Å; I82-I86 VanDerWaalsContact O-N 3.09Å; I82-H118 HydrophobicContact CG2-CB 3.87Å
83	I	97.7	Very high	97.6	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.031	15%	0.149	C	C	.	.	H	α-helix	trans	-58	-38.5	-172.3	-173.1	60.5	0	0	0	113.5	L77 D85 I86 V87 F101 F103 A124 I126	L77-I83 HydrophobicContact CD1-CD1 3.54Å; I83-D85 VanDerWaalsContact C-N 3.31Å; I83-D85 PolarHBondContact O-N 3.13Å; I83-I86 PolarHBondContact O-N 3.03Å; I83-V87 HydrophobicContact CD1-CG2 4.23Å; I83-V87 HydrophobicContact CG1-CG2 4.42Å; I83-V87 WeakPolarHBondContact O-CG2 3.34Å; I83-V87 PolarHBondContact O-N 3.34Å; I83-F101 HydrophobicContact CB-CD2 4.45Å; I83-F101 HydrophobicContact CG1-CB 4.17Å; I83-F101 HydrophobicContact CG1-CD2 3.64Å; I83-F101 HydrophobicContact CG1-CE2 4.19Å; I83-F101 HydrophobicContact CG1-CG 3.9Å; I83-F101 HydrophobicContact CG2-CD2 3.92Å; I83-F101 HydrophobicContact CG2-CE2 3.66Å; I83-F101 HydrophobicContact CG2-CZ 4.37Å; I83-F103 HydrophobicContact CG2-CB 4.31Å; I83-F103 HydrophobicContact CG2-CD2 4.2Å; I83-F103 HydrophobicContact CG2-CG 4.12Å; I83-A124 HydrophobicContact CB-CB 4.31Å; I83-A124 HydrophobicContact CD1-CB 3.81Å; I83-A124 HydrophobicContact CG1-CB 3.73Å; I83-I126 HydrophobicContact CD1-CD1 3.62Å; I83-I126 HydrophobicContact CD1-CG1 3.59Å
84	K	97.7	Very high	97.4	Very high	153 Å²	153	32.7 Å²	32.7	67%	0.665	15%	0.153	S	C	*	.	H	α-helix	trans	-62.5	-40.7	-179.8	-175.8	-179.8	177	-178.1	0	111.3	I82 K88 F101	I82-K84 VanDerWaalsContact C-N 3.29Å; I82-K84 PolarHBondContact O-N 2.96Å; K84-K88 WeakPolarHBondContact O-CB 3.27Å; K84-K88 PolarHBondContact O-N 3.31Å; K84-F101 HydrophobicContact CB-CZ 4.24Å
85	D	98.1	Very high	97.2	Very high	62 Å²	62	35.9 Å²	35.9	33%	0.332	19%	0.186	S	C	.	.	H	α-helix	trans	-74.7	-36.4	-179.6	-59.4	-76.3	0	0	0	111.9	F56 I82 I83 C89	F56-D85 HydrophobicContact CE2-CB 4.07Å; F56-D85 HydrophobicContact CZ-CB 3.74Å; F56-D85 VanDerWaalsContact CZ-CG 3.49Å; I82-D85 PolarHBondContact O-N 2.79Å; I82-D85 VanDerWaalsContact O-N 3.14Å; I83-D85 VanDerWaalsContact C-N 3.31Å; I83-D85 PolarHBondContact O-N 3.13Å; D85-C89 VanDerWaalsContact O-CB 3.31Å; D85-C89 WeakPolarHBondContact O-CB 3.19Å; D85-C89 PolarHBondContact O-N 3.25Å
86	I	97.8	Very high	97	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.5	-51.9	171.5	-69.4	164.3	0	0	0	110.4	M35 I63 S64 I67 I82 I83 K88 C89 L90 I126	M35-I86 HydrophobicContact CE-CD1 3.36Å; M35-I86 HydrophobicContact SD-CD1 3.94Å; I63-I86 HydrophobicContact CD1-CD1 4.09Å; I63-I86 HydrophobicContact CG2-CD1 3.9Å; I63-I86 HydrophobicContact CG2-CG1 4.22Å; I63-I86 HydrophobicContact CG2-CG2 3.97Å; S64-I86 PolarHBondContact OG-O 3.26Å; I67-I86 HydrophobicContact CD1-CG2 4.31Å; I82-I86 HydrophobicContact CD1-CD1 4.22Å; I82-I86 HydrophobicContact CD1-CG1 4.48Å; I82-I86 HydrophobicContact CG1-CD1 3.82Å; I82-I86 HydrophobicContact CG1-CG1 4.3Å; I82-I86 PolarHBondContact O-N 3.36Å; I82-I86 VanDerWaalsContact O-N 3.09Å; I83-I86 PolarHBondContact O-N 3.03Å; I86-K88 VanDerWaalsContact C-N 3.33Å; I86-K88 PolarHBondContact O-N 3.4Å; I86-C89 PolarHBondContact O-N 3.01Å; I86-C89 VanDerWaalsContact O-N 3.12Å; I86-L90 HydrophobicContact CG2-CD1 3.96Å; I86-L90 HydrophobicContact CG2-CG 4.3Å; I86-L90 WeakPolarHBondContact O-CG 3.29Å; I86-L90 PolarHBondContact O-N 3.37Å; I86-I126 HydrophobicContact CG2-CD1 4.23Å
87	V	98.1	Very high	96.8	Very high	9 Å²	9	48.3 Å²	48.3	6%	0.055	24%	0.242	C	C	.	.	H	α-helix	trans	-63.9	-39.1	-178.9	173.6	0	0	0	0	111.8	I83 C89 L90 N91 Y99 F101 I126	I83-V87 HydrophobicContact CD1-CG2 4.23Å; I83-V87 HydrophobicContact CG1-CG2 4.42Å; I83-V87 WeakPolarHBondContact O-CG2 3.34Å; I83-V87 PolarHBondContact O-N 3.34Å; V87-C89 PolarHBondContact O-N 2.9Å; V87-L90 WeakPolarHBondContact O-CB 3.45Å; V87-L90 PolarHBondContact O-N 3.47Å; V87-N91 PolarHBondContact O-N 3.08Å; V87-Y99 VanDerWaalsContact CG1-O 3.31Å; V87-Y99 WeakPolarHBondContact CG1-O 3.02Å; V87-F101 HydrophobicContact CB-CD1 4.02Å; V87-F101 HydrophobicContact CB-CE1 4.49Å; V87-F101 HydrophobicContact CG1-CD1 4.08Å; V87-F101 HydrophobicContact CG2-CB 4.02Å; V87-F101 HydrophobicContact CG2-CD1 3.73Å; V87-F101 HydrophobicContact CG2-CG 4.09Å; V87-I126 HydrophobicContact CG2-CD1 3.94Å; V87-I126 HydrophobicContact CG2-CG1 3.97Å; V87-I126 HydrophobicContact CG2-CG2 4.21Å
88	K	97.7	Very high	96.7	Very high	121 Å²	121	48.6 Å²	48.6	53%	0.526	24%	0.244	S	C	.	.	H	α-helix	trans	-57.7	-49.4	171.7	179.6	-178.9	170.1	-175.4	0	111.2	K84 I86 L90 N91 E92	K84-K88 WeakPolarHBondContact O-CB 3.27Å; K84-K88 PolarHBondContact O-N 3.31Å; I86-K88 VanDerWaalsContact C-N 3.33Å; I86-K88 PolarHBondContact O-N 3.4Å; K88-L90 VanDerWaalsContact C-N 3.32Å; K88-L90 PolarHBondContact O-N 2.7Å; K88-N91 PolarHBondContact O-N 2.92Å; K88-E92 WeakPolarHBondContact CE-OE1 3.46Å; K88-E92 HydrophobicContact CG-CG 4.46Å; K88-E92 IonicContact NZ-OE1 3.24Å; K88-E92 WeakPolarHBondContact O-CB 3.47Å; K88-E92 VanDerWaalsContact O-CG 3.31Å; K88-E92 WeakPolarHBondContact O-CG 3.33Å; K88-E92 PolarHBondContact O-N 3.4Å
89	C	97	Very high	96.7	Very high	17 Å²	17	48.7 Å²	48.7	12%	0.115	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-36.7	179.8	-167	0	0	0	0	112.4	S64 D85 I86 V87 R93	S64-C89 WeakPolarHBondContact OG-CB 3.49Å; D85-C89 VanDerWaalsContact O-CB 3.31Å; D85-C89 WeakPolarHBondContact O-CB 3.19Å; D85-C89 PolarHBondContact O-N 3.25Å; I86-C89 PolarHBondContact O-N 3.01Å; I86-C89 VanDerWaalsContact O-N 3.12Å; V87-C89 PolarHBondContact O-N 2.9Å; C89-R93 VanDerWaalsContact O-CB 3.28Å; C89-R93 WeakPolarHBondContact O-CB 3.19Å; C89-R93 VanDerWaalsContact O-CG 3.24Å; C89-R93 WeakPolarHBondContact O-CG 3.4Å; C89-R93 PolarHBondContact O-N 2.9Å; C89-R93 PolarHBondContact SG-NH1 2.88Å
90	L	96.1	Very high	96.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.4	-52.4	173	-76.1	172.8	0	0	0	111.9	S64 I67 L68 I86 V87 K88 R93 S94 Y99 I126	S64-L90 VanDerWaalsContact O-CD2 3.28Å; S64-L90 WeakPolarHBondContact O-CD2 3.03Å; I67-L90 HydrophobicContact CB-CD2 3.87Å; I67-L90 HydrophobicContact CD1-CD1 4.05Å; I67-L90 HydrophobicContact CG2-CD1 4.08Å; I67-L90 HydrophobicContact CG2-CD2 3.74Å; L68-L90 HydrophobicContact CD1-CD2 4.22Å; L68-L90 HydrophobicContact CD2-CD2 4.18Å; L68-L90 HydrophobicContact CG-CD2 3.71Å; I86-L90 HydrophobicContact CG2-CD1 3.96Å; I86-L90 HydrophobicContact CG2-CG 4.3Å; I86-L90 WeakPolarHBondContact O-CG 3.29Å; I86-L90 PolarHBondContact O-N 3.37Å; V87-L90 WeakPolarHBondContact O-CB 3.45Å; V87-L90 PolarHBondContact O-N 3.47Å; K88-L90 VanDerWaalsContact C-N 3.32Å; K88-L90 PolarHBondContact O-N 2.7Å; L90-R93 PolarHBondContact O-N 3.12Å; L90-S94 VanDerWaalsContact O-CB 3.3Å; L90-S94 WeakPolarHBondContact O-CB 3.48Å; L90-S94 PolarHBondContact O-N 2.78Å; L90-S94 PolarHBondContact O-OG 2.61Å; L90-Y99 HydrophobicContact CB-CD2 4.33Å; L90-I126 HydrophobicContact CD1-CD1 4.02Å; L90-I126 HydrophobicContact CD1-CG2 4.45Å
91	N	97.4	Very high	96.7	Very high	18 Å²	18	52.8 Å²	52.8	10%	0.096	27%	0.267	C	S	.	.	H	α-helix	trans	-68	-38.2	-178	-70.6	-13	0	0	0	112.1	V87 K88 S94 G95 R96 D97 Y99	V87-N91 PolarHBondContact O-N 3.08Å; K88-N91 PolarHBondContact O-N 2.92Å; N91-S94 PolarHBondContact O-OG 3.35Å; N91-G95 PolarHBondContact O-N 2.79Å; N91-G95 VanDerWaalsContact O-N 3.11Å; N91-R96 VanDerWaalsContact CA-O 3.28Å; N91-R96 WeakPolarHBondContact CA-O 3.38Å; N91-R96 VanDerWaalsContact CB-O 3.3Å; N91-R96 WeakPolarHBondContact CB-O 3.46Å; N91-R96 PolarHBondContact O-N 3Å; N91-R96 PolarHBondContact OD1-O 3.3Å; N91-D97 PolarHBondContact ND2-OD1 3.25Å; N91-Y99 PolarHBondContact ND2-O 2.91Å; N91-Y99 WeakPolarHBondContact OD1-CB 3.48Å; N91-Y99 PolarHBondContact OD1-N 2.62Å
92	E	96.6	Very high	96.7	Very high	128 Å²	128	52.8 Å²	52.8	60%	0.598	27%	0.267	S	S	*	.	H	α-helix	trans	-62.3	-43.6	174.2	-75.2	174.5	170.5	0	0	111.9	K88	K88-E92 WeakPolarHBondContact CE-OE1 3.46Å; K88-E92 HydrophobicContact CG-CG 4.46Å; K88-E92 IonicContact NZ-OE1 3.24Å; K88-E92 WeakPolarHBondContact O-CB 3.47Å; K88-E92 VanDerWaalsContact O-CG 3.31Å; K88-E92 WeakPolarHBondContact O-CG 3.33Å; K88-E92 PolarHBondContact O-N 3.4Å
93	R	93.9	Very high	96.8	Very high	106 Å²	106	55.9 Å²	55.9	40%	0.4	28%	0.281	S	S	.	.	H	α-helix	trans	-74.4	-35	179.8	-76.1	179.1	131.9	77.1	10.9	113.4	K61 E65 L68 C89 L90 G95	K61-R93 VanDerWaalsContact CE-NH2 3.31Å; E65-R93 IonicContact OE1-CZ 3.76Å; E65-R93 IonicContact OE1-NE 2.75Å; E65-R93 IonicContact OE1-NH2 3.89Å; E65-R93 PolarHBondContact OE1-NH2 2.96Å; L68-R93 HydrophobicContact CD1-CB 3.56Å; C89-R93 VanDerWaalsContact O-CB 3.28Å; C89-R93 WeakPolarHBondContact O-CB 3.19Å; C89-R93 VanDerWaalsContact O-CG 3.24Å; C89-R93 WeakPolarHBondContact O-CG 3.4Å; C89-R93 PolarHBondContact O-N 2.9Å; C89-R93 PolarHBondContact SG-NH1 2.88Å; L90-R93 PolarHBondContact O-N 3.12Å; R93-G95 PolarHBondContact O-N 2.84Å
94	S	93.4	Very high	96.8	Very high	28 Å²	28	57.2 Å²	57.2	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-75.1	-15.8	177.5	78.9	0	0	0	0	112.5	L90 N91 R96 N98	L90-S94 VanDerWaalsContact O-CB 3.3Å; L90-S94 WeakPolarHBondContact O-CB 3.48Å; L90-S94 PolarHBondContact O-N 2.78Å; L90-S94 PolarHBondContact O-OG 2.61Å; N91-S94 PolarHBondContact O-OG 3.35Å; S94-R96 PolarHBondContact O-N 3.27Å; S94-R96 PolarHBondContact OG-N 3.29Å; S94-R96 PolarHBondContact OG-O 3.22Å; S94-N98 PolarHBondContact OG-OD1 3.35Å
95	G	94.7	Very high	96.8	Very high	68 Å²	68	52.2 Å²	52.2	70%	0.701	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	14.3	-174	0	0	0	0	0	113.5	N91 R93	N91-G95 PolarHBondContact O-N 2.79Å; N91-G95 VanDerWaalsContact O-N 3.11Å; R93-G95 PolarHBondContact O-N 2.84Å
96	R	94.1	Very high	96.7	Very high	131 Å²	131	51.1 Å²	51.1	49%	0.494	26%	0.263	S	S	.	.	S	Bend	trans	-141	139.8	-174.7	-65.4	180	-70.9	175.5	-1.6	110.1	N91 S94 N98	N91-R96 VanDerWaalsContact CA-O 3.28Å; N91-R96 WeakPolarHBondContact CA-O 3.38Å; N91-R96 VanDerWaalsContact CB-O 3.3Å; N91-R96 WeakPolarHBondContact CB-O 3.46Å; N91-R96 PolarHBondContact O-N 3Å; N91-R96 PolarHBondContact OD1-O 3.3Å; S94-R96 PolarHBondContact O-N 3.27Å; S94-R96 PolarHBondContact OG-N 3.29Å; S94-R96 PolarHBondContact OG-O 3.22Å; R96-N98 HydrophobicContact CB-CB 4.09Å; R96-N98 PolarHBondContact O-N 3.15Å; R96-N98 PolarHBondContact O-OD1 3.4Å
97	D	95.2	Very high	96.4	Very high	131 Å²	131	57.2 Å²	57.2	70%	0.701	29%	0.293	S	S	*	.	S	Bend	trans	-85	65.2	171.7	-165.3	35	0	0	0	110.5	N91 N129	N91-D97 PolarHBondContact ND2-OD1 3.25Å; D97-N129 PolarHBondContact O-ND2 3.12Å
98	N	96	Very high	96.1	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.027	32%	0.319	C	S	.	.			trans	-119.7	-2.9	-168.6	70.4	-25.8	0	0	0	115	S94 R96 R128 N129 D130	S94-N98 PolarHBondContact OG-OD1 3.35Å; R96-N98 HydrophobicContact CB-CB 4.09Å; R96-N98 PolarHBondContact O-N 3.15Å; R96-N98 PolarHBondContact O-OD1 3.4Å; N98-R128 PolarHBondContact ND2-NE 3.48Å; N98-R128 PolarHBondContact ND2-NH1 2.92Å; N98-R128 PolarHBondContact ND2-NH2 2.66Å; N98-R128 VanDerWaalsContact ND2-NH2 3.17Å; N98-R128 CarbonylContact O-C 3.53Å; N98-R128 VanDerWaalsContact O-CA 3.29Å; N98-R128 WeakPolarHBondContact O-CA 3.44Å; N98-N129 WeakPolarHBondContact CA-OD1 3.34Å; N98-N129 PolarHBondContact O-N 3.2Å; N98-N129 PolarHBondContact O-OD1 3.44Å; N98-D130 HydrophobicContact CB-CB 4.22Å
99	Y	98.2	Very high	96	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.008	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.9	164.7	-68.2	-83.1	0	0	0	111.1	L68 D71 V87 L90 N91 I126 Y127 R128 N129	L68-Y99 HydrophobicContact CD2-CE2 4.13Å; D71-Y99 PolarHBondContact OD1-OH 3.45Å; V87-Y99 VanDerWaalsContact CG1-O 3.31Å; V87-Y99 WeakPolarHBondContact CG1-O 3.02Å; L90-Y99 HydrophobicContact CB-CD2 4.33Å; N91-Y99 PolarHBondContact ND2-O 2.91Å; N91-Y99 WeakPolarHBondContact OD1-CB 3.48Å; N91-Y99 PolarHBondContact OD1-N 2.62Å; Y99-I126 HydrophobicContact CD1-CG2 3.74Å; Y99-I126 HydrophobicContact CG-CG2 4.26Å; Y99-Y127 WeakPolarHBondContact CA-O 3.35Å; Y99-R128 HydrophobicContact CD1-CG 4.27Å; Y99-R128 HydrophobicContact CE1-CG 3.79Å; Y99-N129 WeakPolarHBondContact CA-OD1 3.4Å; Y99-N129 PolarHBondContact N-OD1 2.91Å
100	S	98.3	Very high	95.8	Very high	37 Å²	37	57.4 Å²	57.4	26%	0.259	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	170	170.4	-69.5	0	0	0	0	109.6	I126 Y127 N129	S100-I126 CarbonylContact O-C 3.59Å; S100-I126 VanDerWaalsContact O-CA 3.31Å; S100-I126 WeakPolarHBondContact O-CA 3.4Å; S100-I126 WeakPolarHBondContact O-CG2 3.26Å; S100-Y127 VanDerWaalsContact CB-CZ 3.48Å; S100-Y127 PolarHBondContact N-O 3.35Å; S100-Y127 PolarHBondContact O-N 3.06Å; S100-N129 PolarHBondContact N-OD1 2.7Å; S100-N129 WeakPolarHBondContact OG-CB 3.47Å; S100-N129 VanDerWaalsContact OG-CG 3.22Å; S100-N129 PolarHBondContact OG-OD1 3.37Å
101	F	98.6	Very high	95.7	Very high	73 Å²	73	57.4 Å²	57.4	32%	0.32	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	157.5	179	71.3	-79.3	0	0	0	113.3	I83 K84 V87 F103 V125 I126	I83-F101 HydrophobicContact CB-CD2 4.45Å; I83-F101 HydrophobicContact CG1-CB 4.17Å; I83-F101 HydrophobicContact CG1-CD2 3.64Å; I83-F101 HydrophobicContact CG1-CE2 4.19Å; I83-F101 HydrophobicContact CG1-CG 3.9Å; I83-F101 HydrophobicContact CG2-CD2 3.92Å; I83-F101 HydrophobicContact CG2-CE2 3.66Å; I83-F101 HydrophobicContact CG2-CZ 4.37Å; K84-F101 HydrophobicContact CB-CZ 4.24Å; V87-F101 HydrophobicContact CB-CD1 4.02Å; V87-F101 HydrophobicContact CB-CE1 4.49Å; V87-F101 HydrophobicContact CG1-CD1 4.08Å; V87-F101 HydrophobicContact CG2-CB 4.02Å; V87-F101 HydrophobicContact CG2-CD1 3.73Å; V87-F101 HydrophobicContact CG2-CG 4.09Å; F101-F103 HydrophobicContact CD2-CB 4.15Å; F101-F103 HydrophobicContact CE2-CB 4.11Å; F101-V125 CarbonylContact C-O 3.58Å; F101-V125 WeakPolarHBondContact CA-O 3.3Å; F101-V125 WeakPolarHBondContact CB-O 3.27Å; F101-I126 HydrophobicContact CB-CG1 4.3Å
102	C	98.2	Very high	95.7	Very high	12 Å²	12	60.1 Å²	60.1	8%	0.081	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	148.6	159	62.1	0	0	0	0	110.2	A124 V125 L134 C153	C102-A124 CarbonylContact O-C 3.55Å; C102-A124 VanDerWaalsContact O-CA 3.27Å; C102-A124 WeakPolarHBondContact O-CA 3.34Å; C102-V125 PolarHBondContact N-O 3.1Å; C102-V125 PolarHBondContact O-N 3.39Å; C102-L134 HydrophobicContact CB-CD2 4.15Å; C102-C153 PolarHBondContact SG-SG 2.65Å
103	F	98.5	Very high	95.6	Very high	67 Å²	67	62 Å²	62	29%	0.294	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	130.2	-175.4	179.7	-127.3	0	0	0	110.9	A80 I83 F101 P105 L123 A124	A80-F103 HydrophobicContact CB-CE2 4.16Å; A80-F103 WeakPolarHBondContact O-CE2 3.4Å; A80-F103 WeakPolarHBondContact O-CZ 3.39Å; I83-F103 HydrophobicContact CG2-CB 4.31Å; I83-F103 HydrophobicContact CG2-CD2 4.2Å; I83-F103 HydrophobicContact CG2-CG 4.12Å; F101-F103 HydrophobicContact CD2-CB 4.15Å; F101-F103 HydrophobicContact CE2-CB 4.11Å; F103-P105 HydrophobicContact CD1-CB 4.25Å; F103-P105 HydrophobicContact CD1-CG 4.5Å; F103-P105 HydrophobicContact CE1-CB 3.58Å; F103-P105 HydrophobicContact CE1-CG 4.27Å; F103-P105 HydrophobicContact CZ-CB 3.85Å; F103-L123 CarbonylContact C-O 3.37Å; F103-L123 WeakPolarHBondContact CA-O 3.22Å; F103-L123 VanDerWaalsContact CD2-O 3.26Å; F103-L123 WeakPolarHBondContact CD2-O 3.48Å; F103-A124 HydrophobicContact CD2-CB 4.07Å
104	L	98.2	Very high	95.5	Very high	33 Å²	33	58.2 Å²	58.2	17%	0.173	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	98.2	173.4	178.4	60.6	0	0	0	108.8	G122 L123 K139 L151	L104-G122 VanDerWaalsContact O-CA 3.31Å; L104-G122 WeakPolarHBondContact O-CA 3.49Å; L104-L123 HydrophobicContact CB-CB 4.38Å; L104-L123 HydrophobicContact CD2-CD1 4.45Å; L104-L123 PolarHBondContact N-O 2.68Å; L104-L123 PolarHBondContact O-N 3.16Å; L104-K139 HydrophobicContact CD1-CB 4.06Å; L104-K139 HydrophobicContact CD2-CB 3.82Å; L104-L151 HydrophobicContact CB-CB 4.24Å; L104-L151 HydrophobicContact CB-CD1 4.21Å; L104-L151 HydrophobicContact CB-CD2 4.21Å; L104-L151 HydrophobicContact CB-CG 4.47Å; L104-L151 HydrophobicContact CD2-CB 4.04Å
105	P	97.3	Very high	95.5	Very high	48 Å²	48	65.5 Å²	65.5	31%	0.312	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	144.8	-177.3	30	-35.8	0	0	0	112.3	F103 M107 P120	F103-P105 HydrophobicContact CD1-CB 4.25Å; F103-P105 HydrophobicContact CD1-CG 4.5Å; F103-P105 HydrophobicContact CE1-CB 3.58Å; F103-P105 HydrophobicContact CE1-CG 4.27Å; F103-P105 HydrophobicContact CZ-CB 3.85Å; P105-M107 HydrophobicContact CB-CE 3.27Å; P105-M107 HydrophobicContact CG-CE 3.34Å; P105-M107 PolarHBondContact O-N 2.96Å; P105-P120 HydrophobicContact CB-CG 3.76Å
106	K	95.4	Very high	95.3	Very high	39 Å²	39	69 Å²	69	17%	0.17	35%	0.353	C	S	.	.			trans	-92.5	95.5	174.7	-179.4	173.4	134.3	-131.7	0	109.4	S108 S109 P120 D121	K106-S108 PolarHBondContact O-N 2.87Å; K106-S109 WeakPolarHBondContact O-CB 3.43Å; K106-S109 PolarHBondContact O-N 3.32Å; K106-P120 VanDerWaalsContact O-CB 3.25Å; K106-P120 WeakPolarHBondContact O-CB 3.46Å; K106-D121 WeakPolarHBondContact CA-O 3.41Å; K106-D121 WeakPolarHBondContact CB-O 3.44Å; K106-D121 PolarHBondContact N-O 3.45Å; K106-D121 VanDerWaalsContact NZ-CG 3.33Å; K106-D121 IonicContact NZ-OD1 4Å; K106-D121 PolarHBondContact NZ-OD1 3.05Å; K106-D121 IonicContact NZ-OD2 3.67Å; K106-D121 PolarHBondContact NZ-OD2 3.25Å
107	M	92.1	Very high	95.3	Very high	128 Å²	128	65.6 Å²	65.6	63%	0.631	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-24.1	-174.5	-60.9	-63.9	89.4	0	0	115	P105 S109 L112 P120	P105-M107 HydrophobicContact CB-CE 3.27Å; P105-M107 HydrophobicContact CG-CE 3.34Å; P105-M107 PolarHBondContact O-N 2.96Å; M107-S109 VanDerWaalsContact C-N 3.33Å; M107-L112 WeakPolarHBondContact O-CD1 3.4Å; M107-P120 HydrophobicContact CE-CB 4.45Å; M107-P120 HydrophobicContact CE-CG 3.75Å
108	S	91.3	Very high	95.3	Very high	87 Å²	87	63.1 Å²	63.1	61%	0.608	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	20.7	175.6	56.8	0	0	0	0	113.6	K106	K106-S108 PolarHBondContact O-N 2.87Å
109	S	94.5	Very high	95.3	Very high	4 Å²	4	63.7 Å²	63.7	3%	0.028	34%	0.336	C	S	.	.			trans	-61.2	130.8	-179.3	177.6	0	0	0	0	112.5	K106 M107 C111 L112 D121	K106-S109 WeakPolarHBondContact O-CB 3.43Å; K106-S109 PolarHBondContact O-N 3.32Å; M107-S109 VanDerWaalsContact C-N 3.33Å; S109-C111 PolarHBondContact O-N 2.72Å; S109-C111 VanDerWaalsContact OG-CB 3.25Å; S109-C111 WeakPolarHBondContact OG-CB 3.45Å; S109-C111 PolarHBondContact OG-N 3.41Å; S109-C111 PolarHBondContact OG-SG 2.85Å; S109-C111 VanDerWaalsContact OG-SG 3.42Å; S109-L112 WeakPolarHBondContact O-CB 3.4Å; S109-L112 PolarHBondContact O-N 2.71Å; S109-D121 WeakPolarHBondContact CB-OD1 3.5Å; S109-D121 PolarHBondContact OG-N 3.25Å; S109-D121 PolarHBondContact OG-OD1 3.21Å
110	P	93.7	Very high	95.3	Very high	61 Å²	61	64.8 Å²	64.8	40%	0.396	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-60.3	-21.8	168.4	-22.5	33.6	0	0	0	113.9	F40 L43 L112 M113	F40-P110 HydrophobicContact CE1-CB 4.02Å; F40-P110 HydrophobicContact CE1-CG 4.08Å; F40-P110 HydrophobicContact CZ-CG 4.38Å; L43-P110 HydrophobicContact CD1-CB 4.41Å; P110-L112 PolarHBondContact O-N 2.95Å; P110-L112 VanDerWaalsContact O-N 3.15Å; P110-M113 WeakPolarHBondContact O-CB 3.49Å; P110-M113 PolarHBondContact O-N 2.81Å
111	C	95.1	Very high	95.2	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-58.1	-28.4	177.6	-58.3	0	0	0	0	111.9	S109 M113 V114 N117	S109-C111 PolarHBondContact O-N 2.72Å; S109-C111 VanDerWaalsContact OG-CB 3.25Å; S109-C111 WeakPolarHBondContact OG-CB 3.45Å; S109-C111 PolarHBondContact OG-N 3.41Å; S109-C111 PolarHBondContact OG-SG 2.85Å; S109-C111 VanDerWaalsContact OG-SG 3.42Å; C111-M113 PolarHBondContact O-N 2.9Å; C111-V114 WeakPolarHBondContact O-CB 3.31Å; C111-V114 PolarHBondContact O-N 2.85Å; C111-N117 WeakPolarHBondContact O-CB 3.21Å
112	L	95.9	Very high	95.2	Very high	74 Å²	74	59.8 Å²	59.8	39%	0.387	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-62.6	-22.4	175.5	-67.2	173.4	0	0	0	113.7	M107 S109 P110 V114 N117 P120	M107-L112 WeakPolarHBondContact O-CD1 3.4Å; S109-L112 WeakPolarHBondContact O-CB 3.4Å; S109-L112 PolarHBondContact O-N 2.71Å; P110-L112 PolarHBondContact O-N 2.95Å; P110-L112 VanDerWaalsContact O-N 3.15Å; L112-V114 VanDerWaalsContact C-N 3.31Å; L112-N117 PolarHBondContact O-ND2 3.44Å; L112-P120 HydrophobicContact CD1-CB 4.25Å; L112-P120 HydrophobicContact CD2-CB 4.18Å; L112-P120 HydrophobicContact CD2-CG 4.45Å; L112-P120 HydrophobicContact CG-CB 4.11Å
113	M	94.8	Very high	95.3	Very high	169 Å²	169	59.7 Å²	59.7	83%	0.833	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-84.7	-7.8	178.4	-57.8	-57	-60.4	0	0	112.9	P110 C111	P110-M113 WeakPolarHBondContact O-CB 3.49Å; P110-M113 PolarHBondContact O-N 2.81Å; C111-M113 PolarHBondContact O-N 2.9Å
114	V	93	Very high	95.3	Very high	26 Å²	26	56.5 Å²	56.5	16%	0.158	30%	0.303	C	S	.	.	S	Bend	trans	-82.3	135.2	-179.4	-178.2	0	0	0	0	109.4	G39 P42 L43 C111 L112 N116 N117	G39-V114 WeakPolarHBondContact O-CG2 3.45Å; P42-V114 HydrophobicContact CG-CG1 3.82Å; P42-V114 HydrophobicContact CG-CG2 4.49Å; L43-V114 HydrophobicContact CD1-CG2 3.83Å; L43-V114 HydrophobicContact CD2-CG2 4.28Å; L43-V114 HydrophobicContact CG-CG2 4.08Å; C111-V114 WeakPolarHBondContact O-CB 3.31Å; C111-V114 PolarHBondContact O-N 2.85Å; L112-V114 VanDerWaalsContact C-N 3.31Å; V114-N116 PolarHBondContact O-N 2.7Å; V114-N117 HydrophobicContact CB-CB 4.28Å; V114-N117 WeakPolarHBondContact O-CB 3.27Å; V114-N117 PolarHBondContact O-N 3.23Å; V114-N117 PolarHBondContact O-ND2 2.81Å
115	K	91.9	Very high	95.3	Very high	181 Å²	181	55 Å²	55	79%	0.787	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	133.8	174.7	-175.3	179.3	179.7	-178.8	0	109.4	N117	K115-N117 VanDerWaalsContact C-N 3.28Å; K115-N117 PolarHBondContact O-N 2.95Å
116	N	91.7	Very high	95.4	Very high	140 Å²	140	52.7 Å²	52.7	75%	0.749	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	39.4	-176.1	-52.4	-22.4	0	0	0	112.7	V114	V114-N116 PolarHBondContact O-N 2.7Å
117	N	94.4	Very high	95.5	Very high	60 Å²	60	52.1 Å²	52.1	32%	0.321	28%	0.277	S	S	.	.			trans	-63.2	161.2	177.5	64.3	81.1	0	0	0	112.9	C111 L112 V114 K115 G119	C111-N117 WeakPolarHBondContact O-CB 3.21Å; L112-N117 PolarHBondContact O-ND2 3.44Å; V114-N117 HydrophobicContact CB-CB 4.28Å; V114-N117 WeakPolarHBondContact O-CB 3.27Å; V114-N117 PolarHBondContact O-N 3.23Å; V114-N117 PolarHBondContact O-ND2 2.81Å; K115-N117 VanDerWaalsContact C-N 3.28Å; K115-N117 PolarHBondContact O-N 2.95Å; N117-G119 VanDerWaalsContact C-N 3.27Å; N117-G119 WeakPolarHBondContact OD1-CA 3.39Å; N117-G119 PolarHBondContact OD1-N 2.95Å
118	H	94.9	Very high	95.8	Very high	80 Å²	80	46.7 Å²	46.7	37%	0.37	25%	0.249	S	C	.	.			trans	-93.5	22.2	175.3	-65.5	-97.1	0	0	0	112.1	F56 D81 I82	F56-H118 AromaticContact CD2-CE1 3.47Å; F56-H118 VanDerWaalsContact CD2-CE1 3.47Å; F56-H118 WeakPolarHBondContact CD2-CE1 3.17Å; F56-H118 AromaticContact CD2-NE2 3.97Å; F56-H118 AromaticContact CE2-CE1 3.62Å; F56-H118 AromaticContact CE2-ND1 3.9Å; F56-H118 AromaticContact CG-CE1 3.91Å; D81-H118 HydrophobicContact CB-CB 4.46Å; I82-H118 HydrophobicContact CG2-CB 3.87Å
119	G	96.1	Very high	96.1	Very high	17 Å²	17	44.4 Å²	44.4	18%	0.175	23%	0.23	C	C	.	.	S	Bend	trans	88.2	-167.1	-168.5	0	0	0	0	0	112.9	N117	N117-G119 VanDerWaalsContact C-N 3.27Å; N117-G119 WeakPolarHBondContact OD1-CA 3.39Å; N117-G119 PolarHBondContact OD1-N 2.95Å
120	P	96.9	Very high	96.2	Very high	24 Å²	24	46.9 Å²	46.9	16%	0.156	24%	0.243	C	C	.	.			trans	-74.9	145.5	178.1	30.3	-31.8	0	0	0	111.7	P105 K106 M107 L112	P105-P120 HydrophobicContact CB-CG 3.76Å; K106-P120 VanDerWaalsContact O-CB 3.25Å; K106-P120 WeakPolarHBondContact O-CB 3.46Å; M107-P120 HydrophobicContact CE-CB 4.45Å; M107-P120 HydrophobicContact CE-CG 3.75Å; L112-P120 HydrophobicContact CD1-CB 4.25Å; L112-P120 HydrophobicContact CD2-CB 4.18Å; L112-P120 HydrophobicContact CD2-CG 4.45Å; L112-P120 HydrophobicContact CG-CB 4.11Å
121	D	97.7	Very high	96.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.241	C	C	.	.			trans	-60.4	165.9	162.2	82	-69.2	0	0	0	111.1	A37 F40 A80 K106 S109	A37-D121 HydrophobicContact CB-CB 3.87Å; F40-D121 HydrophobicContact CE2-CB 4.09Å; A80-D121 CarbonylContact O-C 3.45Å; A80-D121 WeakPolarHBondContact O-CA 3.26Å; K106-D121 WeakPolarHBondContact CA-O 3.41Å; K106-D121 WeakPolarHBondContact CB-O 3.44Å; K106-D121 PolarHBondContact N-O 3.45Å; K106-D121 VanDerWaalsContact NZ-CG 3.33Å; K106-D121 IonicContact NZ-OD1 4Å; K106-D121 PolarHBondContact NZ-OD1 3.05Å; K106-D121 IonicContact NZ-OD2 3.67Å; K106-D121 PolarHBondContact NZ-OD2 3.25Å; S109-D121 WeakPolarHBondContact CB-OD1 3.5Å; S109-D121 PolarHBondContact OG-N 3.25Å; S109-D121 PolarHBondContact OG-OD1 3.21Å
122	G	98.1	Very high	96.3	Very high	4 Å²	4	47.4 Å²	47.4	4%	0.041	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	-164	179.1	0	0	0	0	0	113.8	E79 A80 L104	E79-G122 PolarHBondContact N-O 3.44Å; A80-G122 PolarHBondContact N-O 3.49Å; A80-G122 PolarHBondContact O-N 3.27Å; L104-G122 VanDerWaalsContact O-CA 3.31Å; L104-G122 WeakPolarHBondContact O-CA 3.49Å
123	L	98.8	Very high	96.3	Very high	11 Å²	11	47.5 Å²	47.5	6%	0.058	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.8	173.5	-59.3	174.2	0	0	0	108.7	L77 Q78 F103 L104 Y149 L151 C174 H176	L77-L123 WeakPolarHBondContact O-CA 3.49Å; Q78-L123 HydrophobicContact CB-CD2 4.33Å; Q78-L123 HydrophobicContact CG-CD2 3.88Å; F103-L123 CarbonylContact C-O 3.37Å; F103-L123 WeakPolarHBondContact CA-O 3.22Å; F103-L123 VanDerWaalsContact CD2-O 3.26Å; F103-L123 WeakPolarHBondContact CD2-O 3.48Å; L104-L123 HydrophobicContact CB-CB 4.38Å; L104-L123 HydrophobicContact CD2-CD1 4.45Å; L104-L123 PolarHBondContact N-O 2.68Å; L104-L123 PolarHBondContact O-N 3.16Å; L123-Y149 WeakPolarHBondContact CD1-O 3.44Å; L123-L151 HydrophobicContact CB-CB 4.05Å; L123-L151 HydrophobicContact CB-CD2 4.24Å; L123-L151 HydrophobicContact CD1-CB 4.08Å; L123-C174 WeakPolarHBondContact CD1-O 3.3Å; L123-H176 HydrophobicContact CD2-CB 3.68Å
124	A	98.8	Very high	96.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	153.8	170.1	0	0	0	0	0	111	L77 A80 I83 C102 F103	L77-A124 HydrophobicContact CB-CB 4.16Å; L77-A124 HydrophobicContact CD1-CB 4.44Å; L77-A124 PolarHBondContact N-O 3.39Å; L77-A124 PolarHBondContact O-N 3.36Å; A80-A124 HydrophobicContact CB-CB 3.77Å; I83-A124 HydrophobicContact CB-CB 4.31Å; I83-A124 HydrophobicContact CD1-CB 3.81Å; I83-A124 HydrophobicContact CG1-CB 3.73Å; C102-A124 CarbonylContact O-C 3.55Å; C102-A124 VanDerWaalsContact O-CA 3.27Å; C102-A124 WeakPolarHBondContact O-CA 3.34Å; F103-A124 HydrophobicContact CD2-CB 4.07Å
125	V	98.9	Very high	96.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	116.7	165.2	176.2	0	0	0	0	107.4	V74 V75 F101 C102 L151 F155 L172 C174	V74-V125 HydrophobicContact CG1-CG1 3.66Å; V75-V125 CarbonylContact O-C 3.6Å; V75-V125 VanDerWaalsContact O-CA 3.26Å; V75-V125 WeakPolarHBondContact O-CA 3.5Å; F101-V125 CarbonylContact C-O 3.58Å; F101-V125 WeakPolarHBondContact CA-O 3.3Å; F101-V125 WeakPolarHBondContact CB-O 3.27Å; C102-V125 PolarHBondContact N-O 3.1Å; C102-V125 PolarHBondContact O-N 3.39Å; V125-L151 HydrophobicContact CG2-CD2 3.92Å; V125-L151 HydrophobicContact CG2-CG 4.37Å; V125-F155 HydrophobicContact CG1-CE2 4.4Å; V125-F155 HydrophobicContact CG1-CZ 4.01Å; V125-L172 HydrophobicContact CG1-CD2 3.68Å; V125-L172 HydrophobicContact CG2-CD2 4.05Å; V125-C174 HydrophobicContact CG2-CB 3.84Å
126	I	98.8	Very high	96.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	141.5	167.5	-53	175.4	0	0	0	107.3	I67 V74 V75 L77 I83 I86 V87 L90 Y99 S100 F101	I67-I126 HydrophobicContact CD1-CD1 4.09Å; V74-I126 CarbonylContact C-O 3.54Å; V74-I126 WeakPolarHBondContact CA-O 3.42Å; V75-I126 HydrophobicContact CB-CB 4.06Å; V75-I126 HydrophobicContact CG2-CB 4.31Å; V75-I126 PolarHBondContact N-O 3.4Å; V75-I126 PolarHBondContact O-N 2.65Å; L77-I126 HydrophobicContact CD1-CD1 3.71Å; L77-I126 HydrophobicContact CD1-CG1 4.05Å; I83-I126 HydrophobicContact CD1-CD1 3.62Å; I83-I126 HydrophobicContact CD1-CG1 3.59Å; I86-I126 HydrophobicContact CG2-CD1 4.23Å; V87-I126 HydrophobicContact CG2-CD1 3.94Å; V87-I126 HydrophobicContact CG2-CG1 3.97Å; V87-I126 HydrophobicContact CG2-CG2 4.21Å; L90-I126 HydrophobicContact CD1-CD1 4.02Å; L90-I126 HydrophobicContact CD1-CG2 4.45Å; Y99-I126 HydrophobicContact CD1-CG2 3.74Å; Y99-I126 HydrophobicContact CG-CG2 4.26Å; S100-I126 CarbonylContact O-C 3.59Å; S100-I126 VanDerWaalsContact O-CA 3.31Å; S100-I126 WeakPolarHBondContact O-CA 3.4Å; S100-I126 WeakPolarHBondContact O-CG2 3.26Å; F101-I126 HydrophobicContact CB-CG1 4.3Å
127	Y	98.7	Very high	97.1	Very high	28 Å²	28	35.6 Å²	35.6	11%	0.11	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	153.9	177.5	63.4	-84.2	0	0	0	112.1	D73 Y99 S100 N129 L134 F155	D73-Y127 CarbonylContact O-C 3.6Å; D73-Y127 VanDerWaalsContact O-CA 3.3Å; D73-Y127 WeakPolarHBondContact O-CA 3.25Å; Y99-Y127 WeakPolarHBondContact CA-O 3.35Å; S100-Y127 VanDerWaalsContact CB-CZ 3.48Å; S100-Y127 PolarHBondContact N-O 3.35Å; S100-Y127 PolarHBondContact O-N 3.06Å; Y127-N129 HydrophobicContact CD2-CB 4.4Å; Y127-N129 HydrophobicContact CE2-CB 3.96Å; Y127-N129 PolarHBondContact O-N 2.84Å; Y127-N129 VanDerWaalsContact O-N 3.14Å; Y127-L134 HydrophobicContact CE1-CB 4.13Å; Y127-L134 HydrophobicContact CE1-CD2 3.89Å; Y127-L134 HydrophobicContact CE2-CB 3.99Å; Y127-F155 AromaticContact CD1-CE1 3.72Å; Y127-F155 HydrophobicContact CD1-CE1 3.72Å; Y127-F155 HydrophobicContact CD1-CZ 4.04Å; Y127-F155 HydrophobicContact CD2-CD1 4.37Å; Y127-F155 AromaticContact CD2-CE1 3.78Å; Y127-F155 HydrophobicContact CD2-CE1 3.78Å; Y127-F155 HydrophobicContact CE1-CE1 4.22Å; Y127-F155 HydrophobicContact CE2-CE1 4.28Å; Y127-F155 HydrophobicContact CG-CD1 4.42Å; Y127-F155 AromaticContact CG-CE1 3.48Å; Y127-F155 HydrophobicContact CG-CE1 3.48Å; Y127-F155 VanDerWaalsContact CG-CE1 3.48Å; Y127-F155 HydrophobicContact CG-CZ 4.03Å
128	R	98.1	Very high	97.2	Very high	14 Å²	14	35.2 Å²	35.2	5%	0.053	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	96.1	174.3	-75.3	-66.1	-65.8	-116.4	-11.7	111.4	D71 D73 N98 Y99 D130 N131 Y132	D71-R128 IonicContact OD1-NH1 2.91Å; D71-R128 PolarHBondContact OD1-NH1 3.23Å; D71-R128 IonicContact OD2-NH1 3.77Å; D73-R128 PolarHBondContact O-N 3.36Å; N98-R128 PolarHBondContact ND2-NE 3.48Å; N98-R128 PolarHBondContact ND2-NH1 2.92Å; N98-R128 PolarHBondContact ND2-NH2 2.66Å; N98-R128 VanDerWaalsContact ND2-NH2 3.17Å; N98-R128 CarbonylContact O-C 3.53Å; N98-R128 VanDerWaalsContact O-CA 3.29Å; N98-R128 WeakPolarHBondContact O-CA 3.44Å; Y99-R128 HydrophobicContact CD1-CG 4.27Å; Y99-R128 HydrophobicContact CE1-CG 3.79Å; R128-D130 WeakPolarHBondContact CB-OD1 3.41Å; R128-D130 IonicContact CZ-OD1 3.44Å; R128-D130 IonicContact CZ-OD2 2.95Å; R128-D130 IonicContact NE-OD1 3.22Å; R128-D130 PolarHBondContact NE-OD1 3.37Å; R128-D130 IonicContact NE-OD2 3.95Å; R128-D130 PolarHBondContact NE-OD2 3.02Å; R128-D130 IonicContact NH2-OD1 3.37Å; R128-D130 IonicContact NH2-OD2 2.7Å; R128-D130 PolarHBondContact NH2-OD2 2.68Å; R128-D130 PolarHBondContact O-N 2.94Å; R128-N131 HydrophobicContact CB-CB 4.07Å; R128-N131 PolarHBondContact O-N 2.91Å; R128-N131 VanDerWaalsContact O-N 3.11Å; R128-Y132 HydrophobicContact CB-CD2 4.16Å; R128-Y132 PolarHBondContact O-N 2.82Å
129	N	97.3	Very high	97.3	Very high	38 Å²	38	36.9 Å²	36.9	20%	0.203	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-4.2	-179.2	64.2	-94.6	0	0	0	113.9	D97 N98 Y99 S100 Y127 K158	D97-N129 PolarHBondContact O-ND2 3.12Å; N98-N129 WeakPolarHBondContact CA-OD1 3.34Å; N98-N129 PolarHBondContact O-N 3.2Å; N98-N129 PolarHBondContact O-OD1 3.44Å; Y99-N129 WeakPolarHBondContact CA-OD1 3.4Å; Y99-N129 PolarHBondContact N-OD1 2.91Å; S100-N129 PolarHBondContact N-OD1 2.7Å; S100-N129 WeakPolarHBondContact OG-CB 3.47Å; S100-N129 VanDerWaalsContact OG-CG 3.22Å; S100-N129 PolarHBondContact OG-OD1 3.37Å; Y127-N129 HydrophobicContact CD2-CB 4.4Å; Y127-N129 HydrophobicContact CE2-CB 3.96Å; Y127-N129 PolarHBondContact O-N 2.84Å; Y127-N129 VanDerWaalsContact O-N 3.14Å; N129-K158 WeakPolarHBondContact O-CE 3.43Å; N129-K158 PolarHBondContact O-NZ 3.25Å
130	D	96.5	Very high	97.4	Very high	56 Å²	56	36.1 Å²	36.1	30%	0.299	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-29.8	167.7	57.5	-19	0	0	0	112.5	N98 R128 K158	N98-D130 HydrophobicContact CB-CB 4.22Å; R128-D130 WeakPolarHBondContact CB-OD1 3.41Å; R128-D130 IonicContact CZ-OD1 3.44Å; R128-D130 IonicContact CZ-OD2 2.95Å; R128-D130 IonicContact NE-OD1 3.22Å; R128-D130 PolarHBondContact NE-OD1 3.37Å; R128-D130 IonicContact NE-OD2 3.95Å; R128-D130 PolarHBondContact NE-OD2 3.02Å; R128-D130 IonicContact NH2-OD1 3.37Å; R128-D130 IonicContact NH2-OD2 2.7Å; R128-D130 PolarHBondContact NH2-OD2 2.68Å; R128-D130 PolarHBondContact O-N 2.94Å; D130-K158 WeakPolarHBondContact O-CD 3.38Å
131	N	95.8	Very high	97.4	Very high	67 Å²	67	37.9 Å²	37.9	36%	0.358	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-30.5	-179.8	-69.1	-10.5	0	0	0	113.5	D73 R128 K158	D73-N131 PolarHBondContact OD1-ND2 3.27Å; R128-N131 HydrophobicContact CB-CB 4.07Å; R128-N131 PolarHBondContact O-N 2.91Å; R128-N131 VanDerWaalsContact O-N 3.11Å; N131-K158 PolarHBondContact O-N 2.71Å
132	Y	96.2	Very high	97.3	Very high	5 Å²	5	38 Å²	38	2%	0.02	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.2	-172.2	-55.7	-87.3	0	0	0	111.9	L26 K27 I28 D73 R128 I156 P157 I170	L26-Y132 HydrophobicContact CD2-CE1 4.43Å; K27-Y132 PolarHBondContact O-OH 2.83Å; I28-Y132 HydrophobicContact CD1-CE1 4.39Å; D73-Y132 HydrophobicContact CB-CD2 4.49Å; D73-Y132 HydrophobicContact CB-CE2 3.6Å; D73-Y132 WeakPolarHBondContact OD1-CE2 3.4Å; R128-Y132 HydrophobicContact CB-CD2 4.16Å; R128-Y132 PolarHBondContact O-N 2.82Å; Y132-I156 WeakPolarHBondContact CA-O 3.17Å; Y132-P157 HydrophobicContact CD1-CB 4.22Å; Y132-P157 HydrophobicContact CD1-CG 4.3Å; Y132-P157 HydrophobicContact CE1-CB 4.14Å; Y132-P157 HydrophobicContact CE1-CG 4.17Å; Y132-I170 HydrophobicContact CD1-CD1 4.11Å; Y132-I170 HydrophobicContact CE1-CD1 3.59Å
133	E	95.8	Very high	97	Very high	77 Å²	77	39.1 Å²	39.1	36%	0.36	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.3	168.9	-173.5	-176.1	163.3	0	0	109.4	I135 F155 I156 H162	E133-I135 HydrophobicContact CB-CD1 4.35Å; E133-I135 HydrophobicContact CG-CD1 3.86Å; E133-I135 PolarHBondContact O-N 2.81Å; E133-I135 WeakPolarHBondContact OE1-CD1 3.25Å; E133-F155 CarbonylContact O-C 3.54Å; E133-F155 VanDerWaalsContact O-CA 3.25Å; E133-F155 WeakPolarHBondContact O-CA 3.46Å; E133-I156 PolarHBondContact N-O 2.93Å; E133-I156 PolarHBondContact O-N 3.27Å; E133-H162 IonicContact OE1-CE1 3.83Å; E133-H162 IonicContact OE1-NE2 2.9Å; E133-H162 IonicContact OE2-CE1 2.85Å; E133-H162 PolarHBondContact OE2-CE1 3.36Å; E133-H162 VanDerWaalsContact OE2-CE1 3.28Å; E133-H162 IonicContact OE2-NE2 3.41Å; E133-H162 PolarHBondContact OE2-NE2 2.92Å
134	L	97.4	Very high	96.2	Very high	40 Å²	40	47.5 Å²	47.5	21%	0.209	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	105.7	171.1	176.7	65.6	0	0	0	108.9	C102 Y127 K136 C153 F155	C102-L134 HydrophobicContact CB-CD2 4.15Å; Y127-L134 HydrophobicContact CE1-CB 4.13Å; Y127-L134 HydrophobicContact CE1-CD2 3.89Å; Y127-L134 HydrophobicContact CE2-CB 3.99Å; L134-K136 WeakPolarHBondContact CD1-O 3.49Å; L134-C153 HydrophobicContact CD1-CB 4.09Å; L134-F155 HydrophobicContact CB-CD1 4.08Å; L134-F155 HydrophobicContact CB-CE1 3.85Å; L134-F155 HydrophobicContact CD1-CD1 4.03Å; L134-F155 HydrophobicContact CD1-CE1 3.56Å; L134-F155 HydrophobicContact CD1-CZ 3.87Å; L134-F155 HydrophobicContact CG-CE1 4.24Å
135	I	95.6	Very high	95.6	Very high	68 Å²	68	53 Å²	53	35%	0.349	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-42.5	179.8	-56.9	-56	0	0	0	110.7	E133 H154 I156	E133-I135 HydrophobicContact CB-CD1 4.35Å; E133-I135 HydrophobicContact CG-CD1 3.86Å; E133-I135 PolarHBondContact O-N 2.81Å; E133-I135 WeakPolarHBondContact OE1-CD1 3.25Å; I135-H154 PolarHBondContact N-O 2.87Å; I135-I156 HydrophobicContact CD1-CB 4.32Å; I135-I156 HydrophobicContact CD1-CD1 3.75Å; I135-I156 HydrophobicContact CD1-CG1 4.07Å; I135-I156 HydrophobicContact CG1-CB 4.25Å; I135-I156 HydrophobicContact CG1-CD1 3.72Å; I135-I156 HydrophobicContact CG1-CG1 3.69Å
136	K	96.3	Very high	94.8	Very high	99 Å²	99	55.6 Å²	55.6	43%	0.43	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	144.1	-177.1	-172.8	176.8	173.8	-166.5	0	111.5	L134 E138 C153 H154	L134-K136 WeakPolarHBondContact CD1-O 3.49Å; K136-E138 WeakPolarHBondContact CE-OE2 3.32Å; K136-E138 IonicContact NZ-OE2 2.76Å; K136-E138 PolarHBondContact NZ-OE2 2.85Å; K136-C153 WeakPolarHBondContact O-CA 3.42Å; K136-H154 HydrophobicContact CB-CB 4.41Å; K136-H154 PolarHBondContact N-O 2.96Å; K136-H154 PolarHBondContact O-N 2.86Å
137	S	98.2	Very high	94.3	Very high	58 Å²	58	58 Å²	58	41%	0.406	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.9	160.4	60.1	0	0	0	0	110.5	F152	S137-F152 CarbonylContact C-O 3.57Å; S137-F152 WeakPolarHBondContact CA-O 3.46Å
138	E	97.3	Very high	94	Very high	52 Å²	52	58.1 Å²	58.1	24%	0.243	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	162.3	174.6	67.6	-177.2	-173.9	0	0	112	K136 F152 Y197	K136-E138 WeakPolarHBondContact CE-OE2 3.32Å; K136-E138 IonicContact NZ-OE2 2.76Å; K136-E138 PolarHBondContact NZ-OE2 2.85Å; E138-F152 HydrophobicContact CG-CB 3.84Å; E138-F152 HydrophobicContact CG-CD1 3.74Å; E138-F152 HydrophobicContact CG-CG 4.07Å; E138-F152 PolarHBondContact N-O 2.91Å; E138-F152 PolarHBondContact O-N 3.27Å; E138-Y197 PolarHBondContact OE1-OH 2.89Å
139	K	97.1	Very high	94	Very high	116 Å²	116	60.4 Å²	60.4	50%	0.504	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.5	174.8	64.6	-179	-175	166.1	0	110.3	L104 Y149 A150	L104-K139 HydrophobicContact CD1-CB 4.06Å; L104-K139 HydrophobicContact CD2-CB 3.82Å; K139-Y149 HydrophobicContact CB-CD1 3.89Å; K139-Y149 HydrophobicContact CB-CG 4.2Å; K139-Y149 HydrophobicContact CD-CD1 3.81Å; K139-Y149 HydrophobicContact CD-CE1 3.66Å; K139-Y149 HydrophobicContact CD-CG 4.31Å; K139-Y149 HydrophobicContact CG-CD1 3.92Å; K139-Y149 HydrophobicContact CG-CE1 4.11Å; K139-Y149 PolarHBondContact NZ-OH 2.88Å; K139-A150 CarbonylContact C-O 3.59Å; K139-A150 WeakPolarHBondContact CA-O 3.42Å
140	I	97.2	Very high	94	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.8	173.3	-56.5	167.9	0	0	0	107.9	L142 Y149 A150 F152 I173 Y197	I140-L142 HydrophobicContact CG2-CD2 4.41Å; I140-L142 PolarHBondContact O-N 2.97Å; I140-Y149 CarbonylContact O-C 3.55Å; I140-Y149 WeakPolarHBondContact O-CA 3.39Å; I140-A150 HydrophobicContact CB-CB 4.22Å; I140-A150 HydrophobicContact CD1-CB 4.46Å; I140-A150 PolarHBondContact N-O 2.99Å; I140-A150 PolarHBondContact O-N 3.12Å; I140-F152 HydrophobicContact CD1-CB 3.85Å; I140-F152 HydrophobicContact CD1-CD2 4.36Å; I140-F152 HydrophobicContact CG1-CB 4.06Å; I140-I173 HydrophobicContact CD1-CD1 3.8Å; I140-I173 HydrophobicContact CD1-CG1 4.06Å; I140-I173 HydrophobicContact CD1-CG2 4.18Å; I140-Y197 HydrophobicContact CB-CD2 4.46Å; I140-Y197 HydrophobicContact CD1-CD1 3.56Å; I140-Y197 HydrophobicContact CD1-CD2 4.37Å; I140-Y197 HydrophobicContact CD1-CE1 3.35Å; I140-Y197 HydrophobicContact CD1-CE2 4.17Å; I140-Y197 HydrophobicContact CD1-CG 4.09Å; I140-Y197 HydrophobicContact CG1-CD1 4.17Å; I140-Y197 HydrophobicContact CG1-CD2 4.06Å; I140-Y197 HydrophobicContact CG1-CE1 3.91Å; I140-Y197 HydrophobicContact CG1-CE2 3.76Å; I140-Y197 HydrophobicContact CG1-CG 4.25Å; I140-Y197 HydrophobicContact CG2-CD1 4.26Å; I140-Y197 HydrophobicContact CG2-CD2 3.69Å; I140-Y197 HydrophobicContact CG2-CE2 4.26Å; I140-Y197 HydrophobicContact CG2-CG 3.69Å
141	P	96.3	Very high	94.1	Very high	61 Å²	61	56.2 Å²	56.2	40%	0.396	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	130.2	174.4	28.3	-32.6	0	0	0	110.3	Y149	P141-Y149 HydrophobicContact CB-CD1 4.19Å; P141-Y149 HydrophobicContact CB-CE1 4.13Å
142	L	96.7	Very high	94.3	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	27%	0.273	C	S	.	.			trans	-105.7	-10.5	176.9	-61.4	-178.9	0	0	0	112.8	I140 R148 A150 L177 Q190 L194	I140-L142 HydrophobicContact CG2-CD2 4.41Å; I140-L142 PolarHBondContact O-N 2.97Å; L142-R148 HydrophobicContact CB-CB 4.41Å; L142-R148 HydrophobicContact CB-CG 4.37Å; L142-R148 HydrophobicContact CD1-CG 4.25Å; L142-R148 PolarHBondContact N-O 3.22Å; L142-A150 HydrophobicContact CD1-CB 4.13Å; L142-A150 HydrophobicContact CD2-CB 4.33Å; L142-A150 HydrophobicContact CG-CB 4.33Å; L142-L177 HydrophobicContact CD1-CD2 3.81Å; L142-Q190 HydrophobicContact CB-CB 4.2Å; L142-Q190 HydrophobicContact CB-CG 4.02Å; L142-Q190 WeakPolarHBondContact O-CA 3.13Å; L142-Q190 WeakPolarHBondContact O-CG 3.4Å; L142-L194 HydrophobicContact CD2-CB 4.11Å
143	N	90.5	Very high	94.4	Very high	29 Å²	29	53 Å²	53	16%	0.155	27%	0.272	C	S	.	.	S	Bend	trans	-129	149.5	177.2	-65.6	-8.9	0	0	0	109.3	D145 S146 S147 R148 Q190	N143-D145 VanDerWaalsContact C-N 3.28Å; N143-D145 WeakPolarHBondContact CB-OD1 3.5Å; N143-D145 PolarHBondContact O-N 3.11Å; N143-S146 PolarHBondContact O-N 3.2Å; N143-S147 PolarHBondContact ND2-OG 3.28Å; N143-R148 WeakPolarHBondContact ND2-CB 3.39Å; N143-Q190 WeakPolarHBondContact OD1-CG 3.44Å; N143-Q190 PolarHBondContact OD1-NE2 3.34Å
144	E	83.7	Confident	94.4	Very high	187 Å²	187	50.8 Å²	50.8	87%	0.874	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-40.7	174.7	-65.5	176.2	-177.2	0	0	112.3	S146	E144-S146 PolarHBondContact O-N 2.82Å; E144-S146 VanDerWaalsContact O-N 3.17Å
145	D	85.6	Confident	94.2	Very high	114 Å²	114	49 Å²	49	61%	0.61	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	0.3	178.2	73.4	-8.9	0	0	0	113.7	N143 S147	N143-D145 VanDerWaalsContact C-N 3.28Å; N143-D145 WeakPolarHBondContact CB-OD1 3.5Å; N143-D145 PolarHBondContact O-N 3.11Å; D145-S147 PolarHBondContact O-N 3.02Å; D145-S147 VanDerWaalsContact O-N 3.09Å; D145-S147 WeakPolarHBondContact OD1-CB 3.46Å; D145-S147 PolarHBondContact OD1-N 3.41Å; D145-S147 PolarHBondContact OD1-OG 2.83Å; D145-S147 WeakPolarHBondContact OD2-CB 3.35Å; D145-S147 PolarHBondContact OD2-OG 2.89Å
146	S	82.1	Confident	94.1	Very high	55 Å²	55	46.4 Å²	46.4	39%	0.385	24%	0.239	S	C	.	.	S	Bend	trans	55	28.1	-179.2	-60.1	0	0	0	0	113.8	N143 E144 R148 Y149	N143-S146 PolarHBondContact O-N 3.2Å; E144-S146 PolarHBondContact O-N 2.82Å; E144-S146 VanDerWaalsContact O-N 3.17Å; S146-R148 VanDerWaalsContact C-N 3.35Å; S146-Y149 WeakPolarHBondContact CB-OH 3.32Å; S146-Y149 WeakPolarHBondContact O-CE2 3.26Å; S146-Y149 PolarHBondContact O-OH 3.19Å; S146-Y149 VanDerWaalsContact O-OH 3.13Å
147	S	87.2	Confident	93.9	Very high	51 Å²	51	41.8 Å²	41.8	36%	0.357	22%	0.218	S	C	.	.			trans	-82.7	-12	175.8	65.3	0	0	0	0	113.7	N143 D145	N143-S147 PolarHBondContact ND2-OG 3.28Å; D145-S147 PolarHBondContact O-N 3.02Å; D145-S147 VanDerWaalsContact O-N 3.09Å; D145-S147 WeakPolarHBondContact OD1-CB 3.46Å; D145-S147 PolarHBondContact OD1-N 3.41Å; D145-S147 PolarHBondContact OD1-OG 2.83Å; D145-S147 WeakPolarHBondContact OD2-CB 3.35Å; D145-S147 PolarHBondContact OD2-OG 2.89Å
148	R	93.6	Very high	93.6	Very high	30 Å²	30	44.1 Å²	44.1	11%	0.113	22%	0.221	C	C	.	.			trans	-136.3	136.6	178.8	-166.4	60.6	57.5	142.6	-3.7	110.7	L142 N143 S146 H176	L142-R148 HydrophobicContact CB-CB 4.41Å; L142-R148 HydrophobicContact CB-CG 4.37Å; L142-R148 HydrophobicContact CD1-CG 4.25Å; L142-R148 PolarHBondContact N-O 3.22Å; N143-R148 WeakPolarHBondContact ND2-CB 3.39Å; S146-R148 VanDerWaalsContact C-N 3.35Å; R148-H176 WeakPolarHBondContact CD-O 3.22Å; R148-H176 PolarHBondContact NH1-O 2.89Å
149	Y	97.4	Very high	93.2	Very high	63 Å²	63	47.2 Å²	47.2	25%	0.247	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	152.4	178.5	-58.7	-88	0	0	0	111.2	L123 K139 I140 P141 S146	L123-Y149 WeakPolarHBondContact CD1-O 3.44Å; K139-Y149 HydrophobicContact CB-CD1 3.89Å; K139-Y149 HydrophobicContact CB-CG 4.2Å; K139-Y149 HydrophobicContact CD-CD1 3.81Å; K139-Y149 HydrophobicContact CD-CE1 3.66Å; K139-Y149 HydrophobicContact CD-CG 4.31Å; K139-Y149 HydrophobicContact CG-CD1 3.92Å; K139-Y149 HydrophobicContact CG-CE1 4.11Å; K139-Y149 PolarHBondContact NZ-OH 2.88Å; I140-Y149 CarbonylContact O-C 3.55Å; I140-Y149 WeakPolarHBondContact O-CA 3.39Å; P141-Y149 HydrophobicContact CB-CD1 4.19Å; P141-Y149 HydrophobicContact CB-CE1 4.13Å; S146-Y149 WeakPolarHBondContact CB-OH 3.32Å; S146-Y149 WeakPolarHBondContact O-CE2 3.26Å; S146-Y149 PolarHBondContact O-OH 3.19Å; S146-Y149 VanDerWaalsContact O-OH 3.13Å
150	A	98.4	Very high	92.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	156.1	157.3	0	0	0	0	0	110.1	K139 I140 L142 I173 C174 L175	K139-A150 CarbonylContact C-O 3.59Å; K139-A150 WeakPolarHBondContact CA-O 3.42Å; I140-A150 HydrophobicContact CB-CB 4.22Å; I140-A150 HydrophobicContact CD1-CB 4.46Å; I140-A150 PolarHBondContact N-O 2.99Å; I140-A150 PolarHBondContact O-N 3.12Å; L142-A150 HydrophobicContact CD1-CB 4.13Å; L142-A150 HydrophobicContact CD2-CB 4.33Å; L142-A150 HydrophobicContact CG-CB 4.33Å; A150-I173 HydrophobicContact CB-CG2 3.69Å; A150-C174 CarbonylContact C-O 3.54Å; A150-C174 WeakPolarHBondContact CA-O 3.21Å; A150-C174 WeakPolarHBondContact CB-O 3.34Å; A150-L175 HydrophobicContact CB-CB 3.83Å
151	L	98.6	Very high	91.6	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	113.1	174.7	171.9	56.2	0	0	0	108.9	L104 L123 V125 I173 C174	L104-L151 HydrophobicContact CB-CB 4.24Å; L104-L151 HydrophobicContact CB-CD1 4.21Å; L104-L151 HydrophobicContact CB-CD2 4.21Å; L104-L151 HydrophobicContact CB-CG 4.47Å; L104-L151 HydrophobicContact CD2-CB 4.04Å; L123-L151 HydrophobicContact CB-CB 4.05Å; L123-L151 HydrophobicContact CB-CD2 4.24Å; L123-L151 HydrophobicContact CD1-CB 4.08Å; V125-L151 HydrophobicContact CG2-CD2 3.92Å; V125-L151 HydrophobicContact CG2-CG 4.37Å; L151-I173 CarbonylContact O-C 3.51Å; L151-I173 WeakPolarHBondContact O-CA 3.46Å; L151-C174 HydrophobicContact CB-CB 4.32Å; L151-C174 PolarHBondContact N-O 2.66Å; L151-C174 PolarHBondContact O-N 3.44Å
152	F	98.4	Very high	90.7	Very high	5 Å²	5	47.4 Å²	47.4	2%	0.022	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.9	172.9	175.4	-87.5	0	0	0	110.2	S137 E138 I140 H154 Y171 L172 I173 Y197 F201	S137-F152 CarbonylContact C-O 3.57Å; S137-F152 WeakPolarHBondContact CA-O 3.46Å; E138-F152 HydrophobicContact CG-CB 3.84Å; E138-F152 HydrophobicContact CG-CD1 3.74Å; E138-F152 HydrophobicContact CG-CG 4.07Å; E138-F152 PolarHBondContact N-O 2.91Å; E138-F152 PolarHBondContact O-N 3.27Å; I140-F152 HydrophobicContact CD1-CB 3.85Å; I140-F152 HydrophobicContact CD1-CD2 4.36Å; I140-F152 HydrophobicContact CG1-CB 4.06Å; F152-H154 HydrophobicContact CE1-CB 3.88Å; F152-H154 HydrophobicContact CZ-CB 4.32Å; F152-Y171 HydrophobicContact CE1-CD1 4.47Å; F152-Y171 HydrophobicContact CE2-CD1 4.15Å; F152-Y171 AromaticContact CZ-CD1 3.56Å; F152-Y171 HydrophobicContact CZ-CD1 3.56Å; F152-Y171 HydrophobicContact CZ-CE1 4.26Å; F152-Y171 HydrophobicContact CZ-CG 4.38Å; F152-L172 CarbonylContact C-O 3.55Å; F152-L172 WeakPolarHBondContact CA-O 3.45Å; F152-I173 HydrophobicContact CD2-CD1 4.44Å; F152-I173 HydrophobicContact CD2-CG1 3.96Å; F152-Y197 HydrophobicContact CD2-CE1 4.16Å; F152-F201 HydrophobicContact CE2-CD1 4.48Å; F152-F201 HydrophobicContact CE2-CD2 4.32Å; F152-F201 HydrophobicContact CE2-CE1 4.05Å; F152-F201 AromaticContact CE2-CE2 3.91Å; F152-F201 HydrophobicContact CE2-CE2 3.91Å; F152-F201 AromaticContact CE2-CZ 3.78Å; F152-F201 HydrophobicContact CE2-CZ 3.78Å; F152-F201 HydrophobicContact CZ-CD2 4.35Å; F152-F201 HydrophobicContact CZ-CE1 4.31Å; F152-F201 AromaticContact CZ-CE2 3.59Å; F152-F201 HydrophobicContact CZ-CE2 3.59Å; F152-F201 AromaticContact CZ-CZ 3.59Å; F152-F201 HydrophobicContact CZ-CZ 3.59Å
153	C	98.4	Very high	89.2	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.8	174.1	-59.9	0	0	0	0	110.1	C102 L134 K136 F155 L172	C102-C153 PolarHBondContact SG-SG 2.65Å; L134-C153 HydrophobicContact CD1-CB 4.09Å; K136-C153 WeakPolarHBondContact O-CA 3.42Å; C153-F155 HydrophobicContact CB-CD2 4.11Å; C153-F155 HydrophobicContact CB-CE2 3.33Å; C153-F155 HydrophobicContact CB-CZ 3.69Å; C153-L172 HydrophobicContact CB-CB 4.37Å; C153-L172 PolarHBondContact N-O 3.2Å; C153-L172 PolarHBondContact O-N 2.95Å
154	H	95.5	Very high	87.8	Confident	30 Å²	30	55 Å²	55	14%	0.139	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.2	173.2	170.7	-161.1	0	0	0	109.1	I135 K136 F152 D169 Y171	I135-H154 PolarHBondContact N-O 2.87Å; K136-H154 HydrophobicContact CB-CB 4.41Å; K136-H154 PolarHBondContact N-O 2.96Å; K136-H154 PolarHBondContact O-N 2.86Å; F152-H154 HydrophobicContact CE1-CB 3.88Å; F152-H154 HydrophobicContact CZ-CB 4.32Å; H154-D169 IonicContact CD2-OD2 3.86Å; H154-D169 IonicContact CE1-OD2 3.41Å; H154-D169 PolarHBondContact CE1-OD2 3.43Å; H154-D169 IonicContact NE2-OD2 2.9Å; H154-D169 PolarHBondContact NE2-OD2 3.16Å; H154-Y171 HydrophobicContact CB-CD1 3.94Å; H154-Y171 HydrophobicContact CB-CE1 3.97Å; H154-Y171 AromaticContact CD2-CD1 3.8Å; H154-Y171 AromaticContact CD2-CE1 3.26Å; H154-Y171 WeakPolarHBondContact CD2-CE1 3.35Å; H154-Y171 AromaticContact CD2-CZ 3.95Å; H154-Y171 AromaticContact CG-CD1 3.94Å; H154-Y171 AromaticContact CG-CE1 3.48Å; H154-Y171 VanDerWaalsContact CG-CE1 3.48Å; H154-Y171 AromaticContact ND1-CE1 3.97Å; H154-Y171 AromaticContact NE2-CE1 3.67Å; H154-Y171 AromaticContact NE2-CZ 3.99Å
155	F	94.6	Very high	86.5	Confident	1 Å²	1	54.8 Å²	54.8	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	146.3	179.9	-61.1	-79.4	0	0	0	112	V125 Y127 E133 L134 C153 I170 L172	V125-F155 HydrophobicContact CG1-CE2 4.4Å; V125-F155 HydrophobicContact CG1-CZ 4.01Å; Y127-F155 AromaticContact CD1-CE1 3.72Å; Y127-F155 HydrophobicContact CD1-CE1 3.72Å; Y127-F155 HydrophobicContact CD1-CZ 4.04Å; Y127-F155 HydrophobicContact CD2-CD1 4.37Å; Y127-F155 AromaticContact CD2-CE1 3.78Å; Y127-F155 HydrophobicContact CD2-CE1 3.78Å; Y127-F155 HydrophobicContact CE1-CE1 4.22Å; Y127-F155 HydrophobicContact CE2-CE1 4.28Å; Y127-F155 HydrophobicContact CG-CD1 4.42Å; Y127-F155 AromaticContact CG-CE1 3.48Å; Y127-F155 HydrophobicContact CG-CE1 3.48Å; Y127-F155 VanDerWaalsContact CG-CE1 3.48Å; Y127-F155 HydrophobicContact CG-CZ 4.03Å; E133-F155 CarbonylContact O-C 3.54Å; E133-F155 VanDerWaalsContact O-CA 3.25Å; E133-F155 WeakPolarHBondContact O-CA 3.46Å; L134-F155 HydrophobicContact CB-CD1 4.08Å; L134-F155 HydrophobicContact CB-CE1 3.85Å; L134-F155 HydrophobicContact CD1-CD1 4.03Å; L134-F155 HydrophobicContact CD1-CE1 3.56Å; L134-F155 HydrophobicContact CD1-CZ 3.87Å; L134-F155 HydrophobicContact CG-CE1 4.24Å; C153-F155 HydrophobicContact CB-CD2 4.11Å; C153-F155 HydrophobicContact CB-CE2 3.33Å; C153-F155 HydrophobicContact CB-CZ 3.69Å; F155-I170 HydrophobicContact CB-CB 4.31Å; F155-I170 PolarHBondContact N-O 3.41Å; F155-I170 PolarHBondContact O-N 2.95Å; F155-L172 HydrophobicContact CE2-CB 4.34Å; F155-L172 HydrophobicContact CE2-CD2 4.07Å
156	I	92.3	Very high	85.3	Confident	15 Å²	15	50.8 Å²	50.8	8%	0.077	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.2	164.5	-69.5	179.1	0	0	0	108.6	Y132 E133 I135 K158	Y132-I156 WeakPolarHBondContact CA-O 3.17Å; E133-I156 PolarHBondContact N-O 2.93Å; E133-I156 PolarHBondContact O-N 3.27Å; I135-I156 HydrophobicContact CD1-CB 4.32Å; I135-I156 HydrophobicContact CD1-CD1 3.75Å; I135-I156 HydrophobicContact CD1-CG1 4.07Å; I135-I156 HydrophobicContact CG1-CB 4.25Å; I135-I156 HydrophobicContact CG1-CD1 3.72Å; I135-I156 HydrophobicContact CG1-CG1 3.69Å; I156-K158 PolarHBondContact O-N 2.85Å
157	P	92.2	Very high	84.6	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	126.1	169.5	-16.8	29.5	0	0	0	110.6	L26 Y132 V159 V160 G161 S168 I170	L26-P157 HydrophobicContact CD2-CB 3.53Å; L26-P157 HydrophobicContact CD2-CG 3.28Å; Y132-P157 HydrophobicContact CD1-CB 4.22Å; Y132-P157 HydrophobicContact CD1-CG 4.3Å; Y132-P157 HydrophobicContact CE1-CB 4.14Å; Y132-P157 HydrophobicContact CE1-CG 4.17Å; P157-V159 HydrophobicContact CB-CG1 4.23Å; P157-V159 PolarHBondContact O-N 2.87Å; P157-V160 HydrophobicContact CB-CB 4.5Å; P157-V160 HydrophobicContact CB-CG2 4.04Å; P157-V160 HydrophobicContact CG-CG2 4.36Å; P157-V160 WeakPolarHBondContact O-CB 3.03Å; P157-V160 PolarHBondContact O-N 3.42Å; P157-G161 PolarHBondContact O-N 3.11Å; P157-G161 VanDerWaalsContact O-N 3.15Å; P157-S168 WeakPolarHBondContact CD-O 3.38Å; P157-S168 WeakPolarHBondContact CG-O 3.35Å; P157-I170 HydrophobicContact CG-CD1 3.87Å
158	K	92.4	Very high	84	Confident	108 Å²	108	46.6 Å²	46.6	47%	0.47	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.2	-177	-66.8	-165	-170.2	-179.6	0	113.8	N129 D130 N131 I156 V160 G161	N129-K158 WeakPolarHBondContact O-CE 3.43Å; N129-K158 PolarHBondContact O-NZ 3.25Å; D130-K158 WeakPolarHBondContact O-CD 3.38Å; N131-K158 PolarHBondContact O-N 2.71Å; I156-K158 PolarHBondContact O-N 2.85Å; K158-V160 PolarHBondContact O-N 3.36Å; K158-G161 PolarHBondContact O-N 2.74Å
159	V	89.2	Confident	83.8	Confident	117 Å²	117	46 Å²	46	71%	0.709	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.4	174.8	69.7	0	0	0	0	112.6	L26 P157	L26-V159 HydrophobicContact CD1-CG1 4.18Å; P157-V159 HydrophobicContact CB-CG1 4.23Å; P157-V159 PolarHBondContact O-N 2.87Å
160	V	82.3	Confident	83.5	Confident	29 Å²	29	43 Å²	43	18%	0.176	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-37.9	178.1	-177.4	0	0	0	0	110.8	P157 K158 S164 L336	P157-V160 HydrophobicContact CB-CB 4.5Å; P157-V160 HydrophobicContact CB-CG2 4.04Å; P157-V160 HydrophobicContact CG-CG2 4.36Å; P157-V160 WeakPolarHBondContact O-CB 3.03Å; P157-V160 PolarHBondContact O-N 3.42Å; K158-V160 PolarHBondContact O-N 3.36Å; V160-S164 WeakPolarHBondContact CG1-OG 3.41Å; V160-L336 HydrophobicContact CG2-CD1 4.26Å; V160-L336 HydrophobicContact CG2-CD2 3.53Å
161	G	77.9	Confident	83.3	Confident	23 Å²	23	43.5 Å²	43.5	24%	0.237	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	64.9	-174.1	-175	0	0	0	0	0	112.9	P157 K158 L163	P157-G161 PolarHBondContact O-N 3.11Å; P157-G161 VanDerWaalsContact O-N 3.15Å; K158-G161 PolarHBondContact O-N 2.74Å; G161-L163 PolarHBondContact O-N 3.1Å
162	H	77.9	Confident	83.2	Confident	129 Å²	129	43.3 Å²	43.3	60%	0.597	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-77.4	1.5	-179	-55.3	-81.8	0	0	0	114.4	E133	E133-H162 IonicContact OE1-CE1 3.83Å; E133-H162 IonicContact OE1-NE2 2.9Å; E133-H162 IonicContact OE2-CE1 2.85Å; E133-H162 PolarHBondContact OE2-CE1 3.36Å; E133-H162 VanDerWaalsContact OE2-CE1 3.28Å; E133-H162 IonicContact OE2-NE2 3.41Å; E133-H162 PolarHBondContact OE2-NE2 2.92Å
163	L	65	Low	83.3	Confident	172 Å²	172	43.1 Å²	43.1	90%	0.901	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-87.1	-22.9	-171.6	-68.5	170	0	0	0	113.5	G161	G161-L163 PolarHBondContact O-N 3.1Å
164	S	60.1	Low	83.3	Confident	20 Å²	20	43.1 Å²	43.1	14%	0.14	23%	0.225	C	C	.	.	S	Bend	trans	-82.1	131.6	175.1	93.4	0	0	0	0	110.2	V160 S166 S168	V160-S164 WeakPolarHBondContact CG1-OG 3.41Å; S164-S166 PolarHBondContact O-N 2.83Å; S164-S166 VanDerWaalsContact O-N 3.1Å; S164-S168 PolarHBondContact OG-OG 2.92Å
165	K	56.9	Low	83.4	Confident	182 Å²	182	41.7 Å²	41.7	79%	0.791	22%	0.219	S	C	*	.			trans	-63.4	109.8	174.5	-66.8	175.9	179.4	174.9	0	109.7	C167	K165-C167 PolarHBondContact O-N 2.83Å
166	S	61.8	Low	83.6	Confident	30 Å²	30	42.2 Å²	42.2	21%	0.21	22%	0.221	C	C	.	.	S	Bend	trans	37.8	-19.7	160.5	-166.3	0	0	0	0	122	S164 S168 D169	S164-S166 PolarHBondContact O-N 2.83Å; S164-S166 VanDerWaalsContact O-N 3.1Å; S166-S168 VanDerWaalsContact C-N 3.3Å; S166-S168 PolarHBondContact O-N 3.35Å; S166-D169 WeakPolarHBondContact O-CB 3.33Å; S166-D169 PolarHBondContact O-N 2.95Å
167	C	65.6	Low	83.8	Confident	13 Å²	13	41.7 Å²	41.7	9%	0.088	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-26.8	-172.3	164.6	0	0	0	0	112.1	K165 V216 C337	K165-C167 PolarHBondContact O-N 2.83Å; C167-V216 HydrophobicContact CB-CG1 4.09Å; C167-V216 VanDerWaalsContact SG-CG1 3.51Å; C167-C337 HydrophobicContact CB-CB 3.51Å; C167-C337 WeakPolarHBondContact CB-SG 3.47Å; C167-C337 WeakPolarHBondContact SG-CB 3.16Å; C167-C337 CovalentContact SG-SG 2.05Å; C167-C337 PolarHBondContact SG-SG 3.26Å
168	S	76.2	Confident	84	Confident	5 Å²	5	45.1 Å²	45.1	4%	0.035	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-2.1	179.9	-46.2	0	0	0	0	113.2	P157 S164 S166	P157-S168 WeakPolarHBondContact CD-O 3.38Å; P157-S168 WeakPolarHBondContact CG-O 3.35Å; S164-S168 PolarHBondContact OG-OG 2.92Å; S166-S168 VanDerWaalsContact C-N 3.3Å; S166-S168 PolarHBondContact O-N 3.35Å
169	D	88.1	Confident	83.9	Confident	16 Å²	16	42.5 Å²	42.5	9%	0.086	23%	0.232	C	C	.	.			trans	-68.6	140.1	178.6	-67.6	29.3	0	0	0	109.6	H154 S166 Y171 P219	H154-D169 IonicContact CD2-OD2 3.86Å; H154-D169 IonicContact CE1-OD2 3.41Å; H154-D169 PolarHBondContact CE1-OD2 3.43Å; H154-D169 IonicContact NE2-OD2 2.9Å; H154-D169 PolarHBondContact NE2-OD2 3.16Å; S166-D169 WeakPolarHBondContact O-CB 3.33Å; S166-D169 PolarHBondContact O-N 2.95Å; D169-Y171 HydrophobicContact CB-CE2 3.84Å; D169-Y171 PolarHBondContact OD2-OH 3.46Å; D169-P219 WeakPolarHBondContact O-CD 3.27Å
170	I	91.8	Very high	84	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.5	-179.8	-63	161	0	0	0	108.3	L26 I28 Y132 F155 P157 F221 L334	L26-I170 HydrophobicContact CD2-CD1 4.21Å; I28-I170 HydrophobicContact CD1-CD1 3.94Å; I28-I170 HydrophobicContact CD1-CG2 4.34Å; Y132-I170 HydrophobicContact CD1-CD1 4.11Å; Y132-I170 HydrophobicContact CE1-CD1 3.59Å; F155-I170 HydrophobicContact CB-CB 4.31Å; F155-I170 PolarHBondContact N-O 3.41Å; F155-I170 PolarHBondContact O-N 2.95Å; P157-I170 HydrophobicContact CG-CD1 3.87Å; I170-F221 HydrophobicContact CG2-CD2 3.94Å; I170-F221 HydrophobicContact CG2-CE2 3.95Å; I170-L334 HydrophobicContact CD1-CD1 3.64Å; I170-L334 HydrophobicContact CG1-CD1 3.68Å
171	Y	94.2	Very high	84.1	Confident	9 Å²	9	47.5 Å²	47.5	4%	0.035	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131	175.9	-56.3	-73	0	0	0	109.9	F152 H154 D169 F201 I205 P218 P219 I220 F221	F152-Y171 HydrophobicContact CE1-CD1 4.47Å; F152-Y171 HydrophobicContact CE2-CD1 4.15Å; F152-Y171 AromaticContact CZ-CD1 3.56Å; F152-Y171 HydrophobicContact CZ-CD1 3.56Å; F152-Y171 HydrophobicContact CZ-CE1 4.26Å; F152-Y171 HydrophobicContact CZ-CG 4.38Å; H154-Y171 HydrophobicContact CB-CD1 3.94Å; H154-Y171 HydrophobicContact CB-CE1 3.97Å; H154-Y171 AromaticContact CD2-CD1 3.8Å; H154-Y171 AromaticContact CD2-CE1 3.26Å; H154-Y171 WeakPolarHBondContact CD2-CE1 3.35Å; H154-Y171 AromaticContact CD2-CZ 3.95Å; H154-Y171 AromaticContact CG-CD1 3.94Å; H154-Y171 AromaticContact CG-CE1 3.48Å; H154-Y171 VanDerWaalsContact CG-CE1 3.48Å; H154-Y171 AromaticContact ND1-CE1 3.97Å; H154-Y171 AromaticContact NE2-CE1 3.67Å; H154-Y171 AromaticContact NE2-CZ 3.99Å; D169-Y171 HydrophobicContact CB-CE2 3.84Å; D169-Y171 PolarHBondContact OD2-OH 3.46Å; Y171-F201 HydrophobicContact CD1-CE1 4.04Å; Y171-F201 HydrophobicContact CD1-CE2 4.46Å; Y171-F201 AromaticContact CD1-CZ 3.46Å; Y171-F201 HydrophobicContact CD1-CZ 3.46Å; Y171-F201 VanDerWaalsContact CD1-CZ 3.46Å; Y171-F201 HydrophobicContact CD2-CE1 4.05Å; Y171-F201 HydrophobicContact CD2-CZ 4.11Å; Y171-F201 HydrophobicContact CE1-CE1 4.43Å; Y171-F201 HydrophobicContact CE1-CE2 4.41Å; Y171-F201 AromaticContact CE1-CZ 3.56Å; Y171-F201 HydrophobicContact CE1-CZ 3.56Å; Y171-F201 HydrophobicContact CE2-CE1 4.45Å; Y171-F201 HydrophobicContact CE2-CZ 4.21Å; Y171-F201 AromaticContact CG-CE1 3.81Å; Y171-F201 HydrophobicContact CG-CE1 3.81Å; Y171-F201 AromaticContact CG-CZ 3.72Å; Y171-F201 HydrophobicContact CG-CZ 3.72Å; Y171-F201 AromaticContact CZ-CZ 3.93Å; Y171-I205 HydrophobicContact CE2-CD1 4.22Å; Y171-P218 HydrophobicContact CD2-CB 3.85Å; Y171-P218 HydrophobicContact CD2-CG 3.75Å; Y171-P218 HydrophobicContact CE2-CB 3.54Å; Y171-P218 HydrophobicContact CE2-CG 3.35Å; Y171-P219 PolarHBondContact N-O 3Å; Y171-P219 VanDerWaalsContact N-O 3.12Å; Y171-I220 HydrophobicContact CD2-CG1 4.37Å; Y171-I220 WeakPolarHBondContact O-CA 3.4Å; Y171-F221 PolarHBondContact O-N 2.6Å
172	L	97.5	Very high	84.7	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.016	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	133.9	-174.9	-178.9	76	0	0	0	109.9	V74 C76 V125 F152 C153 F155 F221	V74-L172 HydrophobicContact CG1-CD2 3.42Å; V74-L172 VanDerWaalsContact CG1-CD2 3.42Å; C76-L172 WeakPolarHBondContact SG-CD2 3.1Å; V125-L172 HydrophobicContact CG1-CD2 3.68Å; V125-L172 HydrophobicContact CG2-CD2 4.05Å; F152-L172 CarbonylContact C-O 3.55Å; F152-L172 WeakPolarHBondContact CA-O 3.45Å; C153-L172 HydrophobicContact CB-CB 4.37Å; C153-L172 PolarHBondContact N-O 3.2Å; C153-L172 PolarHBondContact O-N 2.95Å; F155-L172 HydrophobicContact CE2-CB 4.34Å; F155-L172 HydrophobicContact CE2-CD2 4.07Å; L172-F221 CarbonylContact C-O 3.57Å; L172-F221 WeakPolarHBondContact CA-O 3.44Å; L172-F221 HydrophobicContact CD1-CB 3.55Å
173	I	98.5	Very high	85.4	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116.6	172.8	-60.4	176.5	0	0	0	108.3	I140 A150 L151 F152 L194 Y197 L198 F221 I222 C223	I140-I173 HydrophobicContact CD1-CD1 3.8Å; I140-I173 HydrophobicContact CD1-CG1 4.06Å; I140-I173 HydrophobicContact CD1-CG2 4.18Å; A150-I173 HydrophobicContact CB-CG2 3.69Å; L151-I173 CarbonylContact O-C 3.51Å; L151-I173 WeakPolarHBondContact O-CA 3.46Å; F152-I173 HydrophobicContact CD2-CD1 4.44Å; F152-I173 HydrophobicContact CD2-CG1 3.96Å; I173-L194 HydrophobicContact CD1-CD1 4.07Å; I173-L194 HydrophobicContact CG2-CD1 4.14Å; I173-Y197 HydrophobicContact CD1-CD1 4.47Å; I173-Y197 HydrophobicContact CD1-CE1 4.42Å; I173-L198 HydrophobicContact CD1-CD2 3.6Å; I173-L198 HydrophobicContact CD1-CG 4.41Å; I173-F221 PolarHBondContact N-O 2.96Å; I173-I222 HydrophobicContact CB-CG1 4.32Å; I173-I222 HydrophobicContact CB-CG2 4.23Å; I173-I222 HydrophobicContact CG2-CG2 4.29Å; I173-I222 CarbonylContact O-C 3.59Å; I173-I222 WeakPolarHBondContact O-CA 3.11Å; I173-C223 PolarHBondContact O-N 2.91Å
174	C	98.8	Very high	86.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.6	170.7	179.3	0	0	0	0	109.1	C76 Q78 L123 V125 A150 L151 C223	C76-C174 HydrophobicContact CB-CB 4.1Å; Q78-C174 PolarHBondContact NE2-SG 3.08Å; L123-C174 WeakPolarHBondContact CD1-O 3.3Å; V125-C174 HydrophobicContact CG2-CB 3.84Å; A150-C174 CarbonylContact C-O 3.54Å; A150-C174 WeakPolarHBondContact CA-O 3.21Å; A150-C174 WeakPolarHBondContact CB-O 3.34Å; L151-C174 HydrophobicContact CB-CB 4.32Å; L151-C174 PolarHBondContact N-O 2.66Å; L151-C174 PolarHBondContact O-N 3.44Å; C174-C223 CarbonylContact C-O 3.47Å; C174-C223 VanDerWaalsContact CA-O 3.31Å; C174-C223 WeakPolarHBondContact CA-O 3.43Å
175	L	98.5	Very high	88.7	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	159.6	-178.6	64.1	77.3	0	0	0	113.9	Q78 A150 L177 L194 I222 C223 G224 D225 F226	Q78-L175 WeakPolarHBondContact CG-O 3.44Å; A150-L175 HydrophobicContact CB-CB 3.83Å; L175-L177 HydrophobicContact CD1-CD2 3.88Å; L175-L177 HydrophobicContact CD1-CG 3.79Å; L175-L194 HydrophobicContact CD2-CD2 3.66Å; L175-I222 HydrophobicContact CD2-CG2 3.71Å; L175-I222 HydrophobicContact CG-CG2 4.43Å; L175-C223 PolarHBondContact N-O 2.89Å; L175-G224 VanDerWaalsContact O-CA 3.28Å; L175-G224 WeakPolarHBondContact O-CA 3.49Å; L175-D225 PolarHBondContact O-N 3.27Å; L175-F226 HydrophobicContact CD1-CD1 4.33Å; L175-F226 HydrophobicContact CD1-CD2 3.89Å; L175-F226 HydrophobicContact CD1-CE1 4.19Å; L175-F226 HydrophobicContact CD1-CE2 3.76Å; L175-F226 HydrophobicContact CD1-CG 4.18Å; L175-F226 HydrophobicContact CD1-CZ 3.92Å; L175-F226 HydrophobicContact CD2-CE1 4.31Å; L175-F226 HydrophobicContact CD2-CZ 3.98Å; L175-F226 HydrophobicContact CG-CE2 4.35Å; L175-F226 HydrophobicContact CG-CZ 4.31Å
176	H	98.1	Very high	90.5	Very high	12 Å²	12	39.7 Å²	39.7	6%	0.056	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	101.3	173.5	-178.9	-174.7	0	0	0	108.6	Q78 E79 L123 R148 D225 N227	Q78-H176 HydrophobicContact CB-CB 4.02Å; Q78-H176 HydrophobicContact CG-CB 3.76Å; E79-H176 IonicContact OE1-CE1 3.85Å; E79-H176 PolarHBondContact OE1-CE1 2.9Å; L123-H176 HydrophobicContact CD2-CB 3.68Å; R148-H176 WeakPolarHBondContact CD-O 3.22Å; R148-H176 PolarHBondContact NH1-O 2.89Å; H176-D225 WeakPolarHBondContact CA-O 3.48Å; H176-D225 IonicContact CD2-OD2 3.75Å; H176-D225 IonicContact NE2-OD2 2.8Å; H176-N227 PolarHBondContact CD2-ND2 3.05Å; H176-N227 PolarHBondContact NE2-ND2 3.08Å; H176-N227 VanDerWaalsContact NE2-ND2 3.19Å
177	L	97.7	Very high	92.2	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	20%	0.202	C	C	.	.			trans	-75.4	179.8	-175.1	-57.9	-169.8	0	0	0	112.5	L142 L175 A179 R187 Q190 D225 F226 N227 V234	L142-L177 HydrophobicContact CD1-CD2 3.81Å; L175-L177 HydrophobicContact CD1-CD2 3.88Å; L175-L177 HydrophobicContact CD1-CG 3.79Å; L177-A179 PolarHBondContact O-N 2.85Å; L177-R187 HydrophobicContact CB-CG 4.11Å; L177-R187 HydrophobicContact CD1-CB 4.35Å; L177-R187 HydrophobicContact CD1-CG 4.46Å; L177-Q190 HydrophobicContact CD2-CB 3.98Å; L177-D225 PolarHBondContact N-O 2.87Å; L177-F226 WeakPolarHBondContact CB-O 3.44Å; L177-F226 HydrophobicContact CD1-CB 4.13Å; L177-F226 HydrophobicContact CD1-CD1 3.66Å; L177-F226 HydrophobicContact CD1-CE1 4.43Å; L177-F226 HydrophobicContact CD1-CG 4.16Å; L177-F226 HydrophobicContact CG-CD1 4.41Å; L177-N227 PolarHBondContact O-ND2 2.83Å; L177-V234 HydrophobicContact CD1-CG1 4.44Å; L177-V234 HydrophobicContact CD1-CG2 3.71Å
178	K	95.3	Very high	93.8	Very high	73 Å²	73	40.5 Å²	40.5	32%	0.317	21%	0.208	S	C	.	.			trans	-71.8	119.4	-177.4	-169	70.5	171.2	-167.5	0	111.4	C183 I186 R187	K178-C183 HydrophobicContact CB-CB 4.03Å; K178-C183 HydrophobicContact CG-CB 3.52Å; K178-I186 HydrophobicContact CB-CG2 4.12Å; K178-I186 HydrophobicContact CG-CG2 4.41Å; K178-R187 HydrophobicContact CB-CG 4.36Å; K178-R187 WeakPolarHBondContact O-CD 3.37Å; K178-R187 PolarHBondContact O-NH1 3.41Å
179	A	91.6	Very high	94.8	Very high	54 Å²	54	45.6 Å²	45.6	45%	0.446	23%	0.229	S	C	.	.			trans	-71.1	-30.7	-172.1	0	0	0	0	0	118.2	L177 V181 N227	L177-A179 PolarHBondContact O-N 2.85Å; A179-V181 PolarHBondContact O-N 2.96Å; A179-N227 VanDerWaalsContact CA-CG 3.42Å; A179-N227 VanDerWaalsContact CA-OD1 3.25Å; A179-N227 WeakPolarHBondContact CA-OD1 3.45Å; A179-N227 HydrophobicContact CB-CB 4.47Å; A179-N227 WeakPolarHBondContact CB-OD1 3.18Å
180	K	90	Very high	95.2	Very high	125 Å²	125	44.8 Å²	44.8	54%	0.543	23%	0.225	S	C	.	.	S	Bend	trans	-66.4	140.1	-171.5	-59.7	-172.6	177.4	-174.7	0	111	H182 C183 R187	K180-H182 VanDerWaalsContact C-N 3.3Å; K180-H182 WeakPolarHBondContact CD-NE2 3.39Å; K180-H182 PolarHBondContact O-N 3.37Å; K180-C183 HydrophobicContact CB-CB 4.45Å; K180-C183 WeakPolarHBondContact O-CA 3.49Å; K180-C183 WeakPolarHBondContact O-CB 3.29Å; K180-C183 PolarHBondContact O-N 3.35Å; K180-R187 PolarHBondContact O-NH1 3.48Å
181	V	85	Confident	95.5	Very high	125 Å²	125	44.8 Å²	44.8	76%	0.758	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-55.3	-43.5	-176.8	-179.5	0	0	0	0	112.3	A179 C183	A179-V181 PolarHBondContact O-N 2.96Å; V181-C183 PolarHBondContact O-N 3Å; V181-C183 VanDerWaalsContact O-N 3.08Å
182	H	89.9	Confident	95.7	Very high	156 Å²	156	48.4 Å²	48.4	72%	0.722	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-73.7	6.5	177.8	39.8	-88.1	0	0	0	114.4	K180	K180-H182 VanDerWaalsContact C-N 3.3Å; K180-H182 WeakPolarHBondContact CD-NE2 3.39Å; K180-H182 PolarHBondContact O-N 3.37Å
183	C	93.8	Very high	95.6	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.061	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-98.9	16.7	177.1	-65.4	0	0	0	0	113.6	K178 K180 V181 E185 I186 R187	K178-C183 HydrophobicContact CB-CB 4.03Å; K178-C183 HydrophobicContact CG-CB 3.52Å; K180-C183 HydrophobicContact CB-CB 4.45Å; K180-C183 WeakPolarHBondContact O-CA 3.49Å; K180-C183 WeakPolarHBondContact O-CB 3.29Å; K180-C183 PolarHBondContact O-N 3.35Å; V181-C183 PolarHBondContact O-N 3Å; V181-C183 VanDerWaalsContact O-N 3.08Å; C183-E185 VanDerWaalsContact C-N 3.27Å; C183-E185 PolarHBondContact O-N 3.37Å; C183-I186 HydrophobicContact CB-CB 4.18Å; C183-I186 HydrophobicContact CB-CD1 4.17Å; C183-I186 HydrophobicContact CB-CG1 4.49Å; C183-I186 WeakPolarHBondContact O-CA 3.4Å; C183-I186 WeakPolarHBondContact O-CB 3.38Å; C183-I186 PolarHBondContact O-N 2.82Å; C183-R187 PolarHBondContact O-N 2.98Å
184	S	96.3	Very high	95.6	Very high	33 Å²	33	51.2 Å²	51.2	23%	0.231	26%	0.256	C	S	.	.	H	α-helix	trans	-52.6	-43.1	177.1	-169.5	0	0	0	0	112.7	I186 R187 R188 E232	S184-I186 VanDerWaalsContact C-N 3.34Å; S184-I186 PolarHBondContact O-N 2.84Å; S184-R187 WeakPolarHBondContact O-CB 3.41Å; S184-R187 PolarHBondContact O-N 2.86Å; S184-R188 PolarHBondContact O-N 3.03Å; S184-E232 VanDerWaalsContact CB-OE2 3.3Å; S184-E232 WeakPolarHBondContact CB-OE2 3.45Å; S184-E232 PolarHBondContact OG-OE2 2.99Å
185	E	96.4	Very high	95.4	Very high	94 Å²	94	52.3 Å²	52.3	44%	0.439	26%	0.262	S	S	.	.	H	α-helix	trans	-66.3	-33.2	175.8	178.9	53.1	-149.7	0	0	113.2	C183 R188 K189	C183-E185 VanDerWaalsContact C-N 3.27Å; C183-E185 PolarHBondContact O-N 3.37Å; E185-R188 WeakPolarHBondContact O-CB 3.11Å; E185-R188 PolarHBondContact O-N 2.96Å; E185-R188 IonicContact OE1-CZ 3.4Å; E185-R188 IonicContact OE1-NE 3.47Å; E185-R188 PolarHBondContact OE1-NE 3.19Å; E185-R188 IonicContact OE1-NH2 3.32Å; E185-R188 PolarHBondContact OE1-NH2 3.24Å; E185-R188 WeakPolarHBondContact OE2-CD 3.44Å; E185-R188 IonicContact OE2-CZ 2.7Å; E185-R188 IonicContact OE2-NE 2.71Å; E185-R188 PolarHBondContact OE2-NE 3.2Å; E185-K189 WeakPolarHBondContact O-CG 3.11Å; E185-K189 PolarHBondContact O-N 3.21Å; E185-K189 VanDerWaalsContact O-N 3.16Å; E185-K189 VanDerWaalsContact OE1-CE 3.3Å; E185-K189 WeakPolarHBondContact OE1-CE 3.36Å
186	I	96.3	Very high	95.2	Very high	71 Å²	71	57.8 Å²	57.8	36%	0.364	29%	0.286	S	S	.	.	H	α-helix	trans	-67.8	-44.5	173.6	-63.5	176.5	0	0	0	109.5	K178 C183 S184 R188 K189 Q190	K178-I186 HydrophobicContact CB-CG2 4.12Å; K178-I186 HydrophobicContact CG-CG2 4.41Å; C183-I186 HydrophobicContact CB-CB 4.18Å; C183-I186 HydrophobicContact CB-CD1 4.17Å; C183-I186 HydrophobicContact CB-CG1 4.49Å; C183-I186 WeakPolarHBondContact O-CA 3.4Å; C183-I186 WeakPolarHBondContact O-CB 3.38Å; C183-I186 PolarHBondContact O-N 2.82Å; S184-I186 VanDerWaalsContact C-N 3.34Å; S184-I186 PolarHBondContact O-N 2.84Å; I186-R188 VanDerWaalsContact C-N 3.3Å; I186-R188 PolarHBondContact O-N 2.88Å; I186-K189 PolarHBondContact O-N 3.34Å; I186-Q190 HydrophobicContact CG2-CG 4.48Å; I186-Q190 VanDerWaalsContact O-CG 3.29Å; I186-Q190 WeakPolarHBondContact O-CG 3.28Å; I186-Q190 PolarHBondContact O-N 2.85Å
187	R	97.7	Very high	95	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-39.2	175.7	-67.4	-167.6	-71.3	-88.8	9.5	111.7	L177 K178 K180 C183 S184 K189 Q190 G191 F226 N227 E232 V234	L177-R187 HydrophobicContact CB-CG 4.11Å; L177-R187 HydrophobicContact CD1-CB 4.35Å; L177-R187 HydrophobicContact CD1-CG 4.46Å; K178-R187 HydrophobicContact CB-CG 4.36Å; K178-R187 WeakPolarHBondContact O-CD 3.37Å; K178-R187 PolarHBondContact O-NH1 3.41Å; K180-R187 PolarHBondContact O-NH1 3.48Å; C183-R187 PolarHBondContact O-N 2.98Å; S184-R187 WeakPolarHBondContact O-CB 3.41Å; S184-R187 PolarHBondContact O-N 2.86Å; R187-K189 PolarHBondContact O-N 2.81Å; R187-Q190 WeakPolarHBondContact O-CB 3.17Å; R187-Q190 PolarHBondContact O-N 2.87Å; R187-G191 PolarHBondContact O-N 2.87Å; R187-F226 WeakPolarHBondContact CD-O 3.21Å; R187-N227 WeakPolarHBondContact CD-O 3.25Å; R187-N227 PolarHBondContact NE-O 2.92Å; R187-N227 PolarHBondContact NH1-O 3.39Å; R187-N227 PolarHBondContact NH2-O 3.29Å; R187-E232 IonicContact CZ-OE1 3.9Å; R187-E232 IonicContact CZ-OE2 3.39Å; R187-E232 IonicContact NE-OE1 3.39Å; R187-E232 IonicContact NE-OE2 2.85Å; R187-E232 PolarHBondContact NE-OE2 2.64Å; R187-E232 IonicContact NH2-OE1 2.99Å; R187-E232 PolarHBondContact NH2-OE1 3.23Å; R187-E232 IonicContact NH2-OE2 2.8Å; R187-E232 PolarHBondContact NH2-OE2 2.89Å; R187-V234 HydrophobicContact CB-CB 4.2Å; R187-V234 HydrophobicContact CB-CG1 4.07Å; R187-V234 VanDerWaalsContact O-CG2 3.27Å; R187-V234 WeakPolarHBondContact O-CG2 3.48Å
188	R	97.7	Very high	94.8	Very high	55 Å²	55	59.1 Å²	59.1	21%	0.208	29%	0.291	C	S	.	.	H	α-helix	trans	-54.5	-53.2	173.6	-170.1	-167.1	71.5	65.4	15.7	110.9	S184 E185 I186 Q190 G191 E192 P233 I237	S184-R188 PolarHBondContact O-N 3.03Å; E185-R188 WeakPolarHBondContact O-CB 3.11Å; E185-R188 PolarHBondContact O-N 2.96Å; E185-R188 IonicContact OE1-CZ 3.4Å; E185-R188 IonicContact OE1-NE 3.47Å; E185-R188 PolarHBondContact OE1-NE 3.19Å; E185-R188 IonicContact OE1-NH2 3.32Å; E185-R188 PolarHBondContact OE1-NH2 3.24Å; E185-R188 WeakPolarHBondContact OE2-CD 3.44Å; E185-R188 IonicContact OE2-CZ 2.7Å; E185-R188 IonicContact OE2-NE 2.71Å; E185-R188 PolarHBondContact OE2-NE 3.2Å; I186-R188 VanDerWaalsContact C-N 3.3Å; I186-R188 PolarHBondContact O-N 2.88Å; R188-Q190 VanDerWaalsContact C-N 3.32Å; R188-Q190 PolarHBondContact O-N 3.36Å; R188-G191 WeakPolarHBondContact O-CA 3.34Å; R188-G191 PolarHBondContact O-N 3.3Å; R188-G191 VanDerWaalsContact O-N 3.1Å; R188-E192 IonicContact CZ-OE1 3.95Å; R188-E192 IonicContact CZ-OE2 3.82Å; R188-E192 IonicContact NH1-OE1 3.84Å; R188-E192 PolarHBondContact NH1-OE1 2.86Å; R188-E192 IonicContact NH1-OE2 2.72Å; R188-E192 PolarHBondContact NH1-OE2 2.79Å; R188-E192 IonicContact NH2-OE2 3.44Å; R188-E192 PolarHBondContact NH2-OE2 2.88Å; R188-E192 PolarHBondContact O-N 2.99Å; R188-P233 HydrophobicContact CB-CB 4.11Å; R188-P233 HydrophobicContact CG-CB 3.74Å; R188-I237 HydrophobicContact CG-CD1 3.65Å; R188-I237 WeakPolarHBondContact O-CD1 3.28Å
189	K	97.3	Very high	94.6	Very high	112 Å²	112	57.2 Å²	57.2	49%	0.487	28%	0.284	S	S	.	.	H	α-helix	trans	-60.7	-38.1	176.6	-67.9	-179.7	-179.3	-172	0	113	E185 I186 R187 G191 E192 E193	E185-K189 WeakPolarHBondContact O-CG 3.11Å; E185-K189 PolarHBondContact O-N 3.21Å; E185-K189 VanDerWaalsContact O-N 3.16Å; E185-K189 VanDerWaalsContact OE1-CE 3.3Å; E185-K189 WeakPolarHBondContact OE1-CE 3.36Å; I186-K189 PolarHBondContact O-N 3.34Å; R187-K189 PolarHBondContact O-N 2.81Å; K189-G191 VanDerWaalsContact C-N 3.31Å; K189-G191 PolarHBondContact O-N 2.9Å; K189-E192 WeakPolarHBondContact O-CB 3.44Å; K189-E192 PolarHBondContact O-N 3.41Å; K189-E193 PolarHBondContact O-N 2.61Å
190	Q	97.9	Very high	94.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-39.9	174.1	-70.7	173.6	-23.2	0	0	112	L142 N143 L177 I186 R187 R188 L194	L142-Q190 HydrophobicContact CB-CB 4.2Å; L142-Q190 HydrophobicContact CB-CG 4.02Å; L142-Q190 WeakPolarHBondContact O-CA 3.13Å; L142-Q190 WeakPolarHBondContact O-CG 3.4Å; N143-Q190 WeakPolarHBondContact OD1-CG 3.44Å; N143-Q190 PolarHBondContact OD1-NE2 3.34Å; L177-Q190 HydrophobicContact CD2-CB 3.98Å; I186-Q190 HydrophobicContact CG2-CG 4.48Å; I186-Q190 VanDerWaalsContact O-CG 3.29Å; I186-Q190 WeakPolarHBondContact O-CG 3.28Å; I186-Q190 PolarHBondContact O-N 2.85Å; R187-Q190 WeakPolarHBondContact O-CB 3.17Å; R187-Q190 PolarHBondContact O-N 2.87Å; R188-Q190 VanDerWaalsContact C-N 3.32Å; R188-Q190 PolarHBondContact O-N 3.36Å; Q190-L194 WeakPolarHBondContact O-CB 3.31Å; Q190-L194 PolarHBondContact O-N 2.8Å
191	G	97.6	Very high	94.6	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-40.8	172.7	0	0	0	0	0	113.2	R187 R188 K189 L194 V195	R187-G191 PolarHBondContact O-N 2.87Å; R188-G191 WeakPolarHBondContact O-CA 3.34Å; R188-G191 PolarHBondContact O-N 3.3Å; R188-G191 VanDerWaalsContact O-N 3.1Å; K189-G191 VanDerWaalsContact C-N 3.31Å; K189-G191 PolarHBondContact O-N 2.9Å; G191-L194 PolarHBondContact O-N 2.93Å; G191-V195 PolarHBondContact O-N 2.86Å
192	E	97	Very high	94.7	Very high	85 Å²	85	46.8 Å²	46.8	40%	0.397	23%	0.228	S	C	.	.	H	α-helix	trans	-62.8	-46.5	176.9	-66.2	179.4	135.2	0	0	112	R188 K189 L194 V195 K196 I237	R188-E192 IonicContact CZ-OE1 3.95Å; R188-E192 IonicContact CZ-OE2 3.82Å; R188-E192 IonicContact NH1-OE1 3.84Å; R188-E192 PolarHBondContact NH1-OE1 2.86Å; R188-E192 IonicContact NH1-OE2 2.72Å; R188-E192 PolarHBondContact NH1-OE2 2.79Å; R188-E192 IonicContact NH2-OE2 3.44Å; R188-E192 PolarHBondContact NH2-OE2 2.88Å; R188-E192 PolarHBondContact O-N 2.99Å; K189-E192 WeakPolarHBondContact O-CB 3.44Å; K189-E192 PolarHBondContact O-N 3.41Å; E192-L194 VanDerWaalsContact C-N 3.33Å; E192-L194 PolarHBondContact O-N 2.81Å; E192-V195 PolarHBondContact O-N 2.88Å; E192-K196 VanDerWaalsContact O-CB 3.26Å; E192-K196 WeakPolarHBondContact O-CB 3.41Å; E192-K196 PolarHBondContact O-N 3.14Å; E192-I237 HydrophobicContact CG-CD1 3.83Å
193	E	96.9	Very high	94.5	Very high	61 Å²	61	45.7 Å²	45.7	29%	0.285	22%	0.221	S	C	.	.	H	α-helix	trans	-66	-36.4	177.2	-71.3	-58.9	127.5	0	0	112	K189 K196 Y197	K189-E193 PolarHBondContact O-N 2.61Å; E193-K196 VanDerWaalsContact CD-NZ 3.31Å; E193-K196 PolarHBondContact O-N 2.91Å; E193-K196 IonicContact OE1-NZ 3.78Å; E193-K196 PolarHBondContact OE1-NZ 2.63Å; E193-K196 IonicContact OE2-NZ 2.65Å; E193-K196 PolarHBondContact OE2-NZ 2.93Å; E193-Y197 WeakPolarHBondContact O-CB 3.41Å; E193-Y197 PolarHBondContact O-N 2.88Å
194	L	97	Very high	94.1	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-50.9	172.6	176.3	63.9	0	0	0	111.6	L142 I173 L175 Q190 G191 E192 K196 Y197 L198 I222 L238	L142-L194 HydrophobicContact CD2-CB 4.11Å; I173-L194 HydrophobicContact CD1-CD1 4.07Å; I173-L194 HydrophobicContact CG2-CD1 4.14Å; L175-L194 HydrophobicContact CD2-CD2 3.66Å; Q190-L194 WeakPolarHBondContact O-CB 3.31Å; Q190-L194 PolarHBondContact O-N 2.8Å; G191-L194 PolarHBondContact O-N 2.93Å; E192-L194 VanDerWaalsContact C-N 3.33Å; E192-L194 PolarHBondContact O-N 2.81Å; L194-K196 VanDerWaalsContact C-N 3.33Å; L194-K196 PolarHBondContact O-N 3.22Å; L194-Y197 WeakPolarHBondContact O-CB 3.29Å; L194-Y197 PolarHBondContact O-N 2.8Å; L194-L198 HydrophobicContact CD1-CD1 4.45Å; L194-L198 HydrophobicContact CD1-CG 4.46Å; L194-L198 HydrophobicContact CG-CD1 4.19Å; L194-L198 WeakPolarHBondContact O-CG 3.48Å; L194-L198 PolarHBondContact O-N 3.1Å; L194-I222 HydrophobicContact CD2-CD1 4.41Å; L194-I222 HydrophobicContact CD2-CG2 4.24Å; L194-L238 HydrophobicContact CD2-CD1 4.37Å
195	V	95	Very high	93.4	Very high	23 Å²	23	50.4 Å²	50.4	14%	0.139	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-38.3	179.3	160.2	0	0	0	0	112	G191 E192 L198 N199 I237 F241	G191-V195 PolarHBondContact O-N 2.86Å; E192-V195 PolarHBondContact O-N 2.88Å; V195-L198 PolarHBondContact O-N 2.98Å; V195-N199 WeakPolarHBondContact O-CB 3.2Å; V195-N199 PolarHBondContact O-N 2.95Å; V195-N199 PolarHBondContact O-ND2 2.8Å; V195-N199 VanDerWaalsContact O-ND2 3.13Å; V195-I237 HydrophobicContact CB-CG2 4.36Å; V195-I237 HydrophobicContact CG2-CG2 3.65Å; V195-F241 HydrophobicContact CB-CD2 4.18Å; V195-F241 HydrophobicContact CG1-CD2 3.61Å; V195-F241 HydrophobicContact CG1-CE2 3.99Å; V195-F241 HydrophobicContact CG2-CB 4.49Å; V195-F241 HydrophobicContact CG2-CD2 3.81Å
196	K	94.7	Very high	92.4	Very high	115 Å²	115	48 Å²	48	50%	0.5	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-42.1	174.2	177.3	-178	164.7	-156.7	0	112.1	E192 E193 L194 S200	E192-K196 VanDerWaalsContact O-CB 3.26Å; E192-K196 WeakPolarHBondContact O-CB 3.41Å; E192-K196 PolarHBondContact O-N 3.14Å; E193-K196 VanDerWaalsContact CD-NZ 3.31Å; E193-K196 PolarHBondContact O-N 2.91Å; E193-K196 IonicContact OE1-NZ 3.78Å; E193-K196 PolarHBondContact OE1-NZ 2.63Å; E193-K196 IonicContact OE2-NZ 2.65Å; E193-K196 PolarHBondContact OE2-NZ 2.93Å; L194-K196 VanDerWaalsContact C-N 3.33Å; L194-K196 PolarHBondContact O-N 3.22Å; K196-S200 WeakPolarHBondContact O-CB 3.31Å; K196-S200 PolarHBondContact O-N 2.94Å; K196-S200 VanDerWaalsContact O-N 3.14Å; K196-S200 PolarHBondContact O-OG 2.98Å
197	Y	94.9	Very high	91.2	Very high	40 Å²	40	49.1 Å²	49.1	16%	0.157	24%	0.241	C	C	.	.	H	α-helix	trans	-61.3	-50.6	172.1	176.3	-85.6	0	0	0	110.7	E138 I140 F152 I173 E193 L194 N199 S200 F201	E138-Y197 PolarHBondContact OE1-OH 2.89Å; I140-Y197 HydrophobicContact CB-CD2 4.46Å; I140-Y197 HydrophobicContact CD1-CD1 3.56Å; I140-Y197 HydrophobicContact CD1-CD2 4.37Å; I140-Y197 HydrophobicContact CD1-CE1 3.35Å; I140-Y197 HydrophobicContact CD1-CE2 4.17Å; I140-Y197 HydrophobicContact CD1-CG 4.09Å; I140-Y197 HydrophobicContact CG1-CD1 4.17Å; I140-Y197 HydrophobicContact CG1-CD2 4.06Å; I140-Y197 HydrophobicContact CG1-CE1 3.91Å; I140-Y197 HydrophobicContact CG1-CE2 3.76Å; I140-Y197 HydrophobicContact CG1-CG 4.25Å; I140-Y197 HydrophobicContact CG2-CD1 4.26Å; I140-Y197 HydrophobicContact CG2-CD2 3.69Å; I140-Y197 HydrophobicContact CG2-CE2 4.26Å; I140-Y197 HydrophobicContact CG2-CG 3.69Å; F152-Y197 HydrophobicContact CD2-CE1 4.16Å; I173-Y197 HydrophobicContact CD1-CD1 4.47Å; I173-Y197 HydrophobicContact CD1-CE1 4.42Å; E193-Y197 WeakPolarHBondContact O-CB 3.41Å; E193-Y197 PolarHBondContact O-N 2.88Å; L194-Y197 WeakPolarHBondContact O-CB 3.29Å; L194-Y197 PolarHBondContact O-N 2.8Å; Y197-N199 PolarHBondContact O-N 2.96Å; Y197-S200 PolarHBondContact O-N 3.17Å; Y197-S200 VanDerWaalsContact O-N 3.13Å; Y197-F201 HydrophobicContact CD1-CB 4.31Å; Y197-F201 HydrophobicContact CE1-CB 3.98Å; Y197-F201 HydrophobicContact CE1-CG 4.24Å; Y197-F201 VanDerWaalsContact O-CB 3.27Å; Y197-F201 WeakPolarHBondContact O-CB 3.34Å; Y197-F201 PolarHBondContact O-N 3.29Å
198	L	92.6	Very high	89.7	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-55.2	-49.2	179.1	-73.3	169.8	0	0	0	111.9	I173 L194 V195 S200 F201 I202 I220 I222 F241 L251	I173-L198 HydrophobicContact CD1-CD2 3.6Å; I173-L198 HydrophobicContact CD1-CG 4.41Å; L194-L198 HydrophobicContact CD1-CD1 4.45Å; L194-L198 HydrophobicContact CD1-CG 4.46Å; L194-L198 HydrophobicContact CG-CD1 4.19Å; L194-L198 WeakPolarHBondContact O-CG 3.48Å; L194-L198 PolarHBondContact O-N 3.1Å; V195-L198 PolarHBondContact O-N 2.98Å; L198-S200 VanDerWaalsContact C-N 3.31Å; L198-S200 PolarHBondContact O-N 2.69Å; L198-F201 PolarHBondContact O-N 3.39Å; L198-I202 HydrophobicContact CB-CD1 4.43Å; L198-I202 WeakPolarHBondContact O-CB 3.37Å; L198-I202 WeakPolarHBondContact O-CD1 3.48Å; L198-I202 WeakPolarHBondContact O-CG1 3.38Å; L198-I202 PolarHBondContact O-N 2.8Å; L198-I220 HydrophobicContact CD2-CG2 4.03Å; L198-I222 HydrophobicContact CD1-CD1 3.49Å; L198-I222 VanDerWaalsContact CD1-CD1 3.49Å; L198-I222 HydrophobicContact CD2-CD1 4.23Å; L198-I222 HydrophobicContact CG-CD1 4.42Å; L198-F241 HydrophobicContact CB-CE2 3.99Å; L198-F241 HydrophobicContact CB-CZ 4.07Å; L198-F241 HydrophobicContact CD1-CE2 4.46Å; L198-L251 HydrophobicContact CD1-CD1 4.08Å
199	N	91.2	Very high	87.7	Confident	34 Å²	34	53.6 Å²	53.6	18%	0.182	28%	0.277	C	S	.	.	H	α-helix	trans	-57.3	-44.2	177.3	-84.5	-46.1	0	0	0	112.4	V195 Y197 K203	V195-N199 WeakPolarHBondContact O-CB 3.2Å; V195-N199 PolarHBondContact O-N 2.95Å; V195-N199 PolarHBondContact O-ND2 2.8Å; V195-N199 VanDerWaalsContact O-ND2 3.13Å; Y197-N199 PolarHBondContact O-N 2.96Å; N199-K203 WeakPolarHBondContact O-CB 3.45Å; N199-K203 WeakPolarHBondContact O-CD 3.28Å; N199-K203 VanDerWaalsContact O-CG 3.22Å; N199-K203 WeakPolarHBondContact O-CG 3.43Å; N199-K203 PolarHBondContact O-N 2.85Å; N199-K203 VanDerWaalsContact O-N 3.14Å
200	S	91.5	Very high	85.4	Confident	73 Å²	73	51.8 Å²	51.8	51%	0.51	28%	0.283	S	S	.	.	H	α-helix	trans	-68.7	-41.3	179.3	-56	0	0	0	0	111.6	K196 Y197 L198 R204	K196-S200 WeakPolarHBondContact O-CB 3.31Å; K196-S200 PolarHBondContact O-N 2.94Å; K196-S200 VanDerWaalsContact O-N 3.14Å; K196-S200 PolarHBondContact O-OG 2.98Å; Y197-S200 PolarHBondContact O-N 3.17Å; Y197-S200 VanDerWaalsContact O-N 3.13Å; L198-S200 VanDerWaalsContact C-N 3.31Å; L198-S200 PolarHBondContact O-N 2.69Å; S200-R204 WeakPolarHBondContact O-CB 3.3Å; S200-R204 PolarHBondContact O-N 3.22Å
201	F	90.7	Very high	83	Confident	10 Å²	10	56.7 Å²	56.7	4%	0.044	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-51	178.2	175.1	-107.8	0	0	0	111.5	F152 Y171 Y197 L198 K203 R204 I205 I220	F152-F201 HydrophobicContact CE2-CD1 4.48Å; F152-F201 HydrophobicContact CE2-CD2 4.32Å; F152-F201 HydrophobicContact CE2-CE1 4.05Å; F152-F201 AromaticContact CE2-CE2 3.91Å; F152-F201 HydrophobicContact CE2-CE2 3.91Å; F152-F201 AromaticContact CE2-CZ 3.78Å; F152-F201 HydrophobicContact CE2-CZ 3.78Å; F152-F201 HydrophobicContact CZ-CD2 4.35Å; F152-F201 HydrophobicContact CZ-CE1 4.31Å; F152-F201 AromaticContact CZ-CE2 3.59Å; F152-F201 HydrophobicContact CZ-CE2 3.59Å; F152-F201 AromaticContact CZ-CZ 3.59Å; F152-F201 HydrophobicContact CZ-CZ 3.59Å; Y171-F201 HydrophobicContact CD1-CE1 4.04Å; Y171-F201 HydrophobicContact CD1-CE2 4.46Å; Y171-F201 AromaticContact CD1-CZ 3.46Å; Y171-F201 HydrophobicContact CD1-CZ 3.46Å; Y171-F201 VanDerWaalsContact CD1-CZ 3.46Å; Y171-F201 HydrophobicContact CD2-CE1 4.05Å; Y171-F201 HydrophobicContact CD2-CZ 4.11Å; Y171-F201 HydrophobicContact CE1-CE1 4.43Å; Y171-F201 HydrophobicContact CE1-CE2 4.41Å; Y171-F201 AromaticContact CE1-CZ 3.56Å; Y171-F201 HydrophobicContact CE1-CZ 3.56Å; Y171-F201 HydrophobicContact CE2-CE1 4.45Å; Y171-F201 HydrophobicContact CE2-CZ 4.21Å; Y171-F201 AromaticContact CG-CE1 3.81Å; Y171-F201 HydrophobicContact CG-CE1 3.81Å; Y171-F201 AromaticContact CG-CZ 3.72Å; Y171-F201 HydrophobicContact CG-CZ 3.72Å; Y171-F201 AromaticContact CZ-CZ 3.93Å; Y197-F201 HydrophobicContact CD1-CB 4.31Å; Y197-F201 HydrophobicContact CE1-CB 3.98Å; Y197-F201 HydrophobicContact CE1-CG 4.24Å; Y197-F201 VanDerWaalsContact O-CB 3.27Å; Y197-F201 WeakPolarHBondContact O-CB 3.34Å; Y197-F201 PolarHBondContact O-N 3.29Å; L198-F201 PolarHBondContact O-N 3.39Å; F201-K203 PolarHBondContact O-N 2.71Å; F201-R204 WeakPolarHBondContact O-CB 3.49Å; F201-R204 PolarHBondContact O-N 2.82Å; F201-R204 VanDerWaalsContact O-N 3.12Å; F201-I205 HydrophobicContact CD1-CD1 4.12Å; F201-I205 HydrophobicContact CD2-CG2 4.33Å; F201-I205 HydrophobicContact CE1-CD1 3.62Å; F201-I205 HydrophobicContact CE1-CG2 4.34Å; F201-I205 HydrophobicContact CE2-CG2 3.73Å; F201-I205 HydrophobicContact CZ-CD1 3.97Å; F201-I205 HydrophobicContact CZ-CG2 3.71Å; F201-I205 PolarHBondContact O-N 3.34Å; F201-I220 HydrophobicContact CD1-CD1 4.08Å; F201-I220 HydrophobicContact CE1-CD1 4.08Å
202	I	86.6	Confident	80.4	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-62.2	-43.2	-180	-65.1	158.8	0	0	0	110.7	L198 R204 I205 S206 F217 I220 F241 L243 Y249	L198-I202 HydrophobicContact CB-CD1 4.43Å; L198-I202 WeakPolarHBondContact O-CB 3.37Å; L198-I202 WeakPolarHBondContact O-CD1 3.48Å; L198-I202 WeakPolarHBondContact O-CG1 3.38Å; L198-I202 PolarHBondContact O-N 2.8Å; I202-R204 VanDerWaalsContact C-N 3.29Å; I202-R204 PolarHBondContact O-N 3.32Å; I202-I205 VanDerWaalsContact O-CG1 3.26Å; I202-I205 WeakPolarHBondContact O-CG1 3.29Å; I202-I205 PolarHBondContact O-N 2.7Å; I202-S206 WeakPolarHBondContact O-CB 3.45Å; I202-S206 PolarHBondContact O-N 3.37Å; I202-S206 PolarHBondContact O-OG 2.88Å; I202-F217 HydrophobicContact CG2-CD1 3.39Å; I202-F217 HydrophobicContact CG2-CE1 3.58Å; I202-F217 HydrophobicContact CG2-CG 4.39Å; I202-I220 HydrophobicContact CD1-CD1 3.89Å; I202-I220 HydrophobicContact CG1-CD1 3.55Å; I202-F241 HydrophobicContact CD1-CE1 4.21Å; I202-F241 HydrophobicContact CD1-CZ 3.74Å; I202-L243 HydrophobicContact CB-CD1 3.89Å; I202-L243 HydrophobicContact CD1-CD1 4.25Å; I202-L243 HydrophobicContact CG2-CD1 3.72Å; I202-L243 HydrophobicContact CG2-CD2 3.53Å; I202-L243 HydrophobicContact CG2-CG 4.26Å; I202-Y249 HydrophobicContact CD1-CD1 4.04Å; I202-Y249 HydrophobicContact CD1-CE1 3.52Å; I202-Y249 HydrophobicContact CG1-CE1 4.27Å
203	K	85.3	Confident	77.9	Confident	133 Å²	133	68.5 Å²	68.5	58%	0.578	38%	0.379	S	S	*	.	H	α-helix	trans	-59.6	-40.5	174.6	-74.4	172.5	-176.4	178.1	0	112.2	N199 F201 S207	N199-K203 WeakPolarHBondContact O-CB 3.45Å; N199-K203 WeakPolarHBondContact O-CD 3.28Å; N199-K203 VanDerWaalsContact O-CG 3.22Å; N199-K203 WeakPolarHBondContact O-CG 3.43Å; N199-K203 PolarHBondContact O-N 2.85Å; N199-K203 VanDerWaalsContact O-N 3.14Å; F201-K203 PolarHBondContact O-N 2.71Å; K203-S207 WeakPolarHBondContact O-CB 3.17Å; K203-S207 PolarHBondContact O-N 2.99Å
204	R	86	Confident	75.7	Confident	128 Å²	128	68.5 Å²	68.5	48%	0.483	39%	0.386	S	S	.	.	H	α-helix	trans	-63.5	-52.1	179	-178.1	172	63.4	-158.9	4.5	111.5	S200 F201 I202 S206 S207 T208	S200-R204 WeakPolarHBondContact O-CB 3.3Å; S200-R204 PolarHBondContact O-N 3.22Å; F201-R204 WeakPolarHBondContact O-CB 3.49Å; F201-R204 PolarHBondContact O-N 2.82Å; F201-R204 VanDerWaalsContact O-N 3.12Å; I202-R204 VanDerWaalsContact C-N 3.29Å; I202-R204 PolarHBondContact O-N 3.32Å; R204-S206 VanDerWaalsContact C-N 3.31Å; R204-S206 PolarHBondContact O-N 3.25Å; R204-S207 PolarHBondContact O-N 3.5Å; R204-S207 VanDerWaalsContact O-N 3.16Å; R204-S207 PolarHBondContact O-OG 2.95Å; R204-T208 PolarHBondContact O-N 3.49Å; R204-T208 PolarHBondContact O-OG1 3.5Å
205	I	81	Confident	73.6	Confident	14 Å²	14	72.2 Å²	72.2	7%	0.072	41%	0.409	C	S	.	.	H	α-helix	trans	-67.2	-30.5	-179	66.3	-169.7	0	0	0	112.8	Y171 F201 I202 T208 S209 P218	Y171-I205 HydrophobicContact CE2-CD1 4.22Å; F201-I205 HydrophobicContact CD1-CD1 4.12Å; F201-I205 HydrophobicContact CD2-CG2 4.33Å; F201-I205 HydrophobicContact CE1-CD1 3.62Å; F201-I205 HydrophobicContact CE1-CG2 4.34Å; F201-I205 HydrophobicContact CE2-CG2 3.73Å; F201-I205 HydrophobicContact CZ-CD1 3.97Å; F201-I205 HydrophobicContact CZ-CG2 3.71Å; F201-I205 PolarHBondContact O-N 3.34Å; I202-I205 VanDerWaalsContact O-CG1 3.26Å; I202-I205 WeakPolarHBondContact O-CG1 3.29Å; I202-I205 PolarHBondContact O-N 2.7Å; I205-T208 WeakPolarHBondContact CA-OG1 2.99Å; I205-T208 PolarHBondContact O-OG1 3.35Å; I205-S209 PolarHBondContact O-N 2.99Å; I205-S209 PolarHBondContact O-OG 2.89Å; I205-P218 HydrophobicContact CD1-CG 3.38Å; I205-P218 HydrophobicContact CG1-CG 4.35Å
206	S	74.7	Confident	72.1	Confident	44 Å²	44	73.7 Å²	73.7	31%	0.308	42%	0.418	S	S	.	.	H	α-helix	trans	-70.7	-33.5	172.7	-62.4	0	0	0	0	112.6	I202 R204 S209 F217	I202-S206 WeakPolarHBondContact O-CB 3.45Å; I202-S206 PolarHBondContact O-N 3.37Å; I202-S206 PolarHBondContact O-OG 2.88Å; R204-S206 VanDerWaalsContact C-N 3.31Å; R204-S206 PolarHBondContact O-N 3.25Å; S206-S209 PolarHBondContact O-N 3.03Å; S206-F217 WeakPolarHBondContact OG-CD1 3.4Å; S206-F217 WeakPolarHBondContact OG-CE1 3.48Å
207	S	71.1	Confident	71	Confident	94 Å²	94	69.1 Å²	69.1	66%	0.657	40%	0.398	S	S	*	.	H	α-helix	trans	-71.2	-29.8	177.5	72.6	0	0	0	0	113.6	K203 R204	K203-S207 WeakPolarHBondContact O-CB 3.17Å; K203-S207 PolarHBondContact O-N 2.99Å; R204-S207 PolarHBondContact O-N 3.5Å; R204-S207 VanDerWaalsContact O-N 3.16Å; R204-S207 PolarHBondContact O-OG 2.95Å
208	T	67.9	Low	70.1	Confident	108 Å²	108	67.5 Å²	67.5	66%	0.663	39%	0.392	S	S	*	.	H	α-helix	trans	-83	-14.8	178	48.9	0	0	0	0	113.2	R204 I205	R204-T208 PolarHBondContact O-N 3.49Å; R204-T208 PolarHBondContact O-OG1 3.5Å; I205-T208 WeakPolarHBondContact CA-OG1 2.99Å; I205-T208 PolarHBondContact O-OG1 3.35Å
209	S	55.8	Low	69.8	Low	44 Å²	44	67.6 Å²	67.6	31%	0.308	39%	0.393	S	S	.	.	S	Bend	trans	-95.8	114.2	-179.9	-59.4	0	0	0	0	110.4	I205 S206	I205-S209 PolarHBondContact O-N 2.99Å; I205-S209 PolarHBondContact O-OG 2.89Å; S206-S209 PolarHBondContact O-N 3.03Å
210	A	47.6	Very low	69.8	Low	74 Å²	74	66.1 Å²	66.1	61%	0.612	39%	0.386	S	S	*	.	S	Bend	trans	-64.8	165.8	177.6	0	0	0	0	0	113.8
211	P	47	Very low	70.1	Confident	104 Å²	104	62.7 Å²	62.7	68%	0.675	36%	0.361	S	S	*	.	S	Bend		-79.2	165.5	-56.6	21.7	-4.5	0	0	0	111.8	N213 S214	P211-N213 PolarHBondContact O-N 3.46Å; P211-S214 PolarHBondContact O-N 3.36Å
212	L	44.6	Very low	70.4	Confident	183 Å²	183	62.2 Å²	62.2	96%	0.958	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.5	-12.2	-175.5	-80.5	130.5	0	0	0	119.5
213	N	43.5	Very low	71	Confident	150 Å²	150	62.1 Å²	62.1	80%	0.802	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-1.6	-178	-69	-10.4	0	0	0	114.4	P211 T215	P211-N213 PolarHBondContact O-N 3.46Å; N213-T215 PolarHBondContact O-N 3.18Å; N213-T215 VanDerWaalsContact O-N 3.09Å
214	S	51.6	Low	71.7	Confident	62 Å²	62	55.8 Å²	55.8	43%	0.434	33%	0.331	S	S	.	.			trans	-73.5	98.1	171.6	178.4	0	0	0	0	110	P211 V216	P211-S214 PolarHBondContact O-N 3.36Å; S214-V216 PolarHBondContact O-N 3.17Å; S214-V216 VanDerWaalsContact O-N 3.11Å; S214-V216 WeakPolarHBondContact OG-CB 3.35Å
215	T	53	Low	72.3	Confident	80 Å²	80	49.8 Å²	49.8	49%	0.491	31%	0.309	S	S	.	.			trans	-79.9	25.4	173.7	57.7	0	0	0	0	112.8	N213 F217 R295	N213-T215 PolarHBondContact O-N 3.18Å; N213-T215 VanDerWaalsContact O-N 3.09Å; T215-F217 PolarHBondContact O-N 2.83Å; T215-R295 PolarHBondContact O-NH2 3.26Å; T215-R295 PolarHBondContact OG1-NH2 3.01Å; T215-R295 VanDerWaalsContact OG1-NH2 3.07Å
216	V	62.2	Low	73.1	Confident	54 Å²	54	49.1 Å²	49.1	33%	0.327	31%	0.305	S	S	.	.			trans	-93.9	98	-174.5	-178.1	0	0	0	0	107.6	C167 S214 L296	C167-V216 HydrophobicContact CB-CG1 4.09Å; C167-V216 VanDerWaalsContact SG-CG1 3.51Å; S214-V216 PolarHBondContact O-N 3.17Å; S214-V216 VanDerWaalsContact O-N 3.11Å; S214-V216 WeakPolarHBondContact OG-CB 3.35Å; V216-L296 HydrophobicContact CG1-CD1 3.42Å; V216-L296 VanDerWaalsContact CG1-CD1 3.42Å; V216-L296 HydrophobicContact CG1-CD2 4.12Å; V216-L296 HydrophobicContact CG1-CG 4.33Å
217	F	72.2	Confident	74.2	Confident	19 Å²	19	48 Å²	48	8%	0.083	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-94.6	132.9	176.6	-63.9	-74.9	0	0	0	109.6	I202 S206 T215 L243 T247 Y249 L296	I202-F217 HydrophobicContact CG2-CD1 3.39Å; I202-F217 HydrophobicContact CG2-CE1 3.58Å; I202-F217 HydrophobicContact CG2-CG 4.39Å; S206-F217 WeakPolarHBondContact OG-CD1 3.4Å; S206-F217 WeakPolarHBondContact OG-CE1 3.48Å; T215-F217 PolarHBondContact O-N 2.83Å; F217-L243 HydrophobicContact CD1-CD2 4.04Å; F217-L243 HydrophobicContact CE1-CD2 3.25Å; F217-L243 HydrophobicContact CE2-CD2 3.97Å; F217-L243 HydrophobicContact CZ-CD2 3.22Å; F217-T247 HydrophobicContact CE2-CG2 3.9Å; F217-T247 HydrophobicContact CZ-CG2 4.29Å; F217-Y249 HydrophobicContact CB-CD2 3.46Å; F217-Y249 VanDerWaalsContact CB-CD2 3.46Å; F217-Y249 HydrophobicContact CB-CE2 3.22Å; F217-Y249 HydrophobicContact CB-CG 4.24Å; F217-Y249 AromaticContact CD2-CD2 3.88Å; F217-Y249 HydrophobicContact CD2-CD2 3.88Å; F217-Y249 HydrophobicContact CD2-CG 4.15Å; F217-Y249 AromaticContact CG-CD2 3.91Å; F217-Y249 HydrophobicContact CG-CD2 3.91Å; F217-Y249 HydrophobicContact CG-CE2 4.11Å; F217-Y249 HydrophobicContact CG-CG 4.28Å; F217-L296 WeakPolarHBondContact O-CD1 3.39Å; F217-L296 WeakPolarHBondContact O-CG 3.48Å
218	P	76.6	Confident	75.5	Confident	6 Å²	6	43.5 Å²	43.5	4%	0.039	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-65.4	159.3	-174.9	26	-32.3	0	0	0	112.2	Y171 I205 I220 Y249	Y171-P218 HydrophobicContact CD2-CB 3.85Å; Y171-P218 HydrophobicContact CD2-CG 3.75Å; Y171-P218 HydrophobicContact CE2-CB 3.54Å; Y171-P218 HydrophobicContact CE2-CG 3.35Å; I205-P218 HydrophobicContact CD1-CG 3.38Å; I205-P218 HydrophobicContact CG1-CG 4.35Å; P218-I220 PolarHBondContact O-N 2.97Å; P218-Y249 PolarHBondContact O-OH 3.48Å
219	P	85.3	Confident	76.9	Confident	5 Å²	5	42.4 Å²	42.4	3%	0.032	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-56.5	123.5	171.1	-23.1	32.9	0	0	0	111.6	D169 Y171 F221 L296 L334	D169-P219 WeakPolarHBondContact O-CD 3.27Å; Y171-P219 PolarHBondContact N-O 3Å; Y171-P219 VanDerWaalsContact N-O 3.12Å; P219-F221 HydrophobicContact CB-CE2 3.97Å; P219-F221 HydrophobicContact CB-CZ 4.48Å; P219-L296 HydrophobicContact CG-CB 4.46Å; P219-L334 HydrophobicContact CB-CD1 4.46Å; P219-L334 HydrophobicContact CB-CD2 3.89Å; P219-L334 HydrophobicContact CG-CD1 4.2Å; P219-L334 HydrophobicContact CG-CD2 3.73Å; P219-L334 HydrophobicContact CG-CG 4.42Å
220	I	92.3	Very high	78.9	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.015	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.2	170.5	-64.1	176.7	0	0	0	108.2	Y171 L198 F201 I202 P218 I222 Y249 Y292 C293	Y171-I220 HydrophobicContact CD2-CG1 4.37Å; Y171-I220 WeakPolarHBondContact O-CA 3.4Å; L198-I220 HydrophobicContact CD2-CG2 4.03Å; F201-I220 HydrophobicContact CD1-CD1 4.08Å; F201-I220 HydrophobicContact CE1-CD1 4.08Å; I202-I220 HydrophobicContact CD1-CD1 3.89Å; I202-I220 HydrophobicContact CG1-CD1 3.55Å; P218-I220 PolarHBondContact O-N 2.97Å; I220-I222 HydrophobicContact CG2-CG1 4.33Å; I220-Y249 WeakPolarHBondContact CB-OH 3.49Å; I220-Y249 HydrophobicContact CD1-CE1 4.28Å; I220-Y249 WeakPolarHBondContact CD1-OH 3.32Å; I220-Y249 WeakPolarHBondContact CG1-OH 3.48Å; I220-Y292 WeakPolarHBondContact O-CA 3.29Å; I220-C293 PolarHBondContact O-N 2.65Å
221	F	96.8	Very high	81.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.1	174.9	-62	-79.6	0	0	0	110.4	I28 I30 I170 Y171 L172 I173 P219 W291 C297 F332 L334	I28-F221 HydrophobicContact CG2-CZ 4.16Å; I30-F221 HydrophobicContact CD1-CB 3.99Å; I30-F221 HydrophobicContact CD1-CD1 3.33Å; I30-F221 HydrophobicContact CD1-CD2 3.62Å; I30-F221 HydrophobicContact CD1-CE1 3.53Å; I30-F221 HydrophobicContact CD1-CE2 3.8Å; I30-F221 HydrophobicContact CD1-CG 3.36Å; I30-F221 HydrophobicContact CD1-CZ 3.74Å; I170-F221 HydrophobicContact CG2-CD2 3.94Å; I170-F221 HydrophobicContact CG2-CE2 3.95Å; Y171-F221 PolarHBondContact O-N 2.6Å; L172-F221 CarbonylContact C-O 3.57Å; L172-F221 WeakPolarHBondContact CA-O 3.44Å; L172-F221 HydrophobicContact CD1-CB 3.55Å; I173-F221 PolarHBondContact N-O 2.96Å; P219-F221 HydrophobicContact CB-CE2 3.97Å; P219-F221 HydrophobicContact CB-CZ 4.48Å; F221-W291 CarbonylContact C-O 3.52Å; F221-W291 VanDerWaalsContact CA-O 3.29Å; F221-W291 WeakPolarHBondContact CA-O 3.11Å; F221-C297 VanDerWaalsContact CZ-SG 3.58Å; F221-F332 HydrophobicContact CD1-CE2 4.2Å; F221-F332 HydrophobicContact CD1-CZ 4.31Å; F221-F332 HydrophobicContact CE1-CB 4.43Å; F221-F332 AromaticContact CE1-CD1 3.96Å; F221-F332 HydrophobicContact CE1-CD1 3.96Å; F221-F332 AromaticContact CE1-CD2 3.61Å; F221-F332 HydrophobicContact CE1-CD2 3.61Å; F221-F332 HydrophobicContact CE1-CE1 4.03Å; F221-F332 AromaticContact CE1-CE2 3.69Å; F221-F332 HydrophobicContact CE1-CE2 3.69Å; F221-F332 AromaticContact CE1-CG 3.74Å; F221-F332 HydrophobicContact CE1-CG 3.74Å; F221-F332 AromaticContact CE1-CZ 3.9Å; F221-F332 HydrophobicContact CE1-CZ 3.9Å; F221-F332 HydrophobicContact CZ-CB 4.3Å; F221-F332 HydrophobicContact CZ-CD2 4.11Å; F221-F332 HydrophobicContact CZ-CG 4.1Å; F221-L334 HydrophobicContact CE2-CD2 4.49Å; F221-L334 HydrophobicContact CZ-CD2 4.08Å
222	I	98.2	Very high	83.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	116	174.8	-47.7	173.8	0	0	0	107.9	I173 L175 L194 L198 I220 F226 L251 W291	I173-I222 HydrophobicContact CB-CG1 4.32Å; I173-I222 HydrophobicContact CB-CG2 4.23Å; I173-I222 HydrophobicContact CG2-CG2 4.29Å; I173-I222 CarbonylContact O-C 3.59Å; I173-I222 WeakPolarHBondContact O-CA 3.11Å; L175-I222 HydrophobicContact CD2-CG2 3.71Å; L175-I222 HydrophobicContact CG-CG2 4.43Å; L194-I222 HydrophobicContact CD2-CD1 4.41Å; L194-I222 HydrophobicContact CD2-CG2 4.24Å; L198-I222 HydrophobicContact CD1-CD1 3.49Å; L198-I222 VanDerWaalsContact CD1-CD1 3.49Å; L198-I222 HydrophobicContact CD2-CD1 4.23Å; L198-I222 HydrophobicContact CG-CD1 4.42Å; I220-I222 HydrophobicContact CG2-CG1 4.33Å; I222-F226 HydrophobicContact CG2-CZ 4.18Å; I222-L251 HydrophobicContact CD1-CD1 3.79Å; I222-L251 HydrophobicContact CD1-CD2 3.84Å; I222-L251 HydrophobicContact CG1-CD2 4.4Å; I222-W291 HydrophobicContact CB-CB 4.08Å; I222-W291 PolarHBondContact N-O 3.26Å; I222-W291 WeakPolarHBondContact O-CB 3.33Å; I222-W291 PolarHBondContact O-N 3.32Å
223	C	98.8	Very high	86.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.6	-174.6	-62.9	0	0	0	0	109.8	Q32 C76 I173 C174 L175 Y289	Q32-C223 HydrophobicContact CB-CB 4.02Å; Q32-C223 HydrophobicContact CG-CB 4.06Å; C76-C223 HydrophobicContact CB-CB 3.6Å; C76-C223 VanDerWaalsContact SG-CB 3.57Å; I173-C223 PolarHBondContact O-N 2.91Å; C174-C223 CarbonylContact C-O 3.47Å; C174-C223 VanDerWaalsContact CA-O 3.31Å; C174-C223 WeakPolarHBondContact CA-O 3.43Å; L175-C223 PolarHBondContact N-O 2.89Å; C223-Y289 WeakPolarHBondContact CA-O 3.36Å
224	G	98.7	Very high	88.9	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.4	-175.3	164.4	0	0	0	0	0	115.4	L175 F226 D288 Y289	L175-G224 VanDerWaalsContact O-CA 3.28Å; L175-G224 WeakPolarHBondContact O-CA 3.49Å; G224-F226 WeakPolarHBondContact O-CD2 3.35Å; G224-D288 WeakPolarHBondContact O-CA 3.2Å; G224-Y289 PolarHBondContact N-O 3.26Å; G224-Y289 VanDerWaalsContact N-O 3.11Å; G224-Y289 PolarHBondContact O-N 3.44Å
225	D	98.7	Very high	91.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	104.6	169.5	179.8	-5.4	0	0	0	109	N34 Q78 L175 H176 L177 N227 H325	N34-D225 HydrophobicContact CB-CB 4.22Å; N34-D225 PolarHBondContact ND2-OD2 3.45Å; Q78-D225 HydrophobicContact CG-CB 4.17Å; L175-D225 PolarHBondContact O-N 3.27Å; H176-D225 WeakPolarHBondContact CA-O 3.48Å; H176-D225 IonicContact CD2-OD2 3.75Å; H176-D225 IonicContact NE2-OD2 2.8Å; L177-D225 PolarHBondContact N-O 2.87Å; D225-N227 VanDerWaalsContact C-N 3.26Å; D225-N227 VanDerWaalsContact CG-ND2 3.26Å; D225-N227 WeakPolarHBondContact OD1-CA 3.38Å; D225-N227 VanDerWaalsContact OD1-CG 3.26Å; D225-N227 PolarHBondContact OD1-N 3.05Å; D225-N227 PolarHBondContact OD1-ND2 2.95Å; D225-N227 PolarHBondContact OD2-ND2 2.94Å; D225-H325 IonicContact OD2-CE1 3.66Å; D225-H325 PolarHBondContact OD2-CE1 3.32Å; D225-H325 VanDerWaalsContact OD2-CE1 3.24Å; D225-H325 IonicContact OD2-NE2 2.96Å
226	F	98.6	Very high	93.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.143	C	C	.	.			trans	-80.5	-10.9	178.9	-77.1	-111	0	0	0	112	L175 L177 R187 I222 G224 A228 V234 I235 L238 I287 Y289 W291	L175-F226 HydrophobicContact CD1-CD1 4.33Å; L175-F226 HydrophobicContact CD1-CD2 3.89Å; L175-F226 HydrophobicContact CD1-CE1 4.19Å; L175-F226 HydrophobicContact CD1-CE2 3.76Å; L175-F226 HydrophobicContact CD1-CG 4.18Å; L175-F226 HydrophobicContact CD1-CZ 3.92Å; L175-F226 HydrophobicContact CD2-CE1 4.31Å; L175-F226 HydrophobicContact CD2-CZ 3.98Å; L175-F226 HydrophobicContact CG-CE2 4.35Å; L175-F226 HydrophobicContact CG-CZ 4.31Å; L177-F226 WeakPolarHBondContact CB-O 3.44Å; L177-F226 HydrophobicContact CD1-CB 4.13Å; L177-F226 HydrophobicContact CD1-CD1 3.66Å; L177-F226 HydrophobicContact CD1-CE1 4.43Å; L177-F226 HydrophobicContact CD1-CG 4.16Å; L177-F226 HydrophobicContact CG-CD1 4.41Å; R187-F226 WeakPolarHBondContact CD-O 3.21Å; I222-F226 HydrophobicContact CG2-CZ 4.18Å; G224-F226 WeakPolarHBondContact O-CD2 3.35Å; F226-A228 HydrophobicContact CB-CB 4.12Å; F226-A228 WeakPolarHBondContact O-CB 3.2Å; F226-A228 PolarHBondContact O-N 3.45Å; F226-V234 HydrophobicContact CD1-CG2 4.39Å; F226-I235 HydrophobicContact CB-CD1 4.09Å; F226-I235 HydrophobicContact CD1-CD1 3.86Å; F226-I235 HydrophobicContact CG-CD1 4.09Å; F226-L238 HydrophobicContact CE1-CD1 3.99Å; F226-L238 HydrophobicContact CE1-CD2 3.44Å; F226-L238 VanDerWaalsContact CE1-CD2 3.44Å; F226-L238 HydrophobicContact CE1-CG 4.39Å; F226-L238 HydrophobicContact CZ-CD2 3.55Å; F226-I287 PolarHBondContact N-O 2.8Å; F226-Y289 HydrophobicContact CB-CD2 3.91Å; F226-Y289 HydrophobicContact CB-CE2 3.92Å; F226-Y289 AromaticContact CD2-CD2 3.52Å; F226-Y289 HydrophobicContact CD2-CD2 3.52Å; F226-Y289 HydrophobicContact CD2-CE2 4.38Å; F226-Y289 HydrophobicContact CD2-CG 4.24Å; F226-Y289 HydrophobicContact CE2-CD2 4.24Å; F226-Y289 AromaticContact CG-CD2 3.83Å; F226-Y289 HydrophobicContact CG-CD2 3.83Å; F226-Y289 HydrophobicContact CG-CE2 4.27Å; F226-W291 AromaticContact CE2-CD1 3.89Å; F226-W291 AromaticContact CE2-NE1 3.76Å; F226-W291 AromaticContact CZ-CD1 3.69Å; F226-W291 AromaticContact CZ-NE1 3.56Å
227	N	98.4	Very high	94.9	Very high	20 Å²	20	24.4 Å²	24.4	11%	0.107	14%	0.136	C	C	.	.			trans	45.4	34.4	-171.1	-74.8	-93.9	0	0	0	112.1	H176 L177 A179 R187 D225	H176-N227 PolarHBondContact CD2-ND2 3.05Å; H176-N227 PolarHBondContact NE2-ND2 3.08Å; H176-N227 VanDerWaalsContact NE2-ND2 3.19Å; L177-N227 PolarHBondContact O-ND2 2.83Å; A179-N227 VanDerWaalsContact CA-CG 3.42Å; A179-N227 VanDerWaalsContact CA-OD1 3.25Å; A179-N227 WeakPolarHBondContact CA-OD1 3.45Å; A179-N227 HydrophobicContact CB-CB 4.47Å; A179-N227 WeakPolarHBondContact CB-OD1 3.18Å; R187-N227 WeakPolarHBondContact CD-O 3.25Å; R187-N227 PolarHBondContact NE-O 2.92Å; R187-N227 PolarHBondContact NH1-O 3.39Å; R187-N227 PolarHBondContact NH2-O 3.29Å; D225-N227 VanDerWaalsContact C-N 3.26Å; D225-N227 VanDerWaalsContact CG-ND2 3.26Å; D225-N227 WeakPolarHBondContact OD1-CA 3.38Å; D225-N227 VanDerWaalsContact OD1-CG 3.26Å; D225-N227 PolarHBondContact OD1-N 3.05Å; D225-N227 PolarHBondContact OD1-ND2 2.95Å; D225-N227 PolarHBondContact OD2-ND2 2.94Å
228	A	98.2	Very high	96.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.132	C	C	.	.			trans	-141.2	125.4	-171.3	0	0	0	0	0	110.6	F226 E232 V234 I235 Y289	F226-A228 HydrophobicContact CB-CB 4.12Å; F226-A228 WeakPolarHBondContact O-CB 3.2Å; F226-A228 PolarHBondContact O-N 3.45Å; A228-E232 VanDerWaalsContact CA-OE1 3.25Å; A228-E232 WeakPolarHBondContact CA-OE1 3.27Å; A228-E232 HydrophobicContact CB-CB 4.04Å; A228-E232 HydrophobicContact CB-CG 4.42Å; A228-V234 HydrophobicContact CB-CG1 3.32Å; A228-I235 HydrophobicContact CB-CD1 4.23Å; A228-I235 HydrophobicContact CB-CG1 4.12Å; A228-Y289 WeakPolarHBondContact O-CE2 3.31Å; A228-Y289 PolarHBondContact O-OH 3.3Å
229	E	97.8	Very high	97	Very high	86 Å²	86	26.6 Å²	26.6	40%	0.402	15%	0.146	S	C	.	.			trans	-69.3	159.7	175.2	-73.5	-178.4	-135.8	0	0	111.4	T231 E232 I235 H285 T286 I287	E229-T231 PolarHBondContact O-N 3.4Å; E229-E232 HydrophobicContact CB-CG 4.43Å; E229-E232 PolarHBondContact N-OE1 3.4Å; E229-E232 WeakPolarHBondContact O-CB 3.26Å; E229-E232 PolarHBondContact O-N 2.76Å; E229-I235 WeakPolarHBondContact O-CG1 3.16Å; E229-H285 HydrophobicContact CG-CB 4.11Å; E229-H285 IonicContact OE1-ND1 3.74Å; E229-H285 PolarHBondContact OE1-ND1 2.93Å; E229-T286 WeakPolarHBondContact CA-O 3.42Å; E229-I287 HydrophobicContact CG-CG2 4.43Å
230	P	98	Very high	97.3	Very high	44 Å²	44	31.6 Å²	31.6	29%	0.286	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.1	-174.2	-27.7	36	0	0	0	115	E263 T286 Y289	P230-E263 HydrophobicContact CB-CG 4.12Å; P230-E263 HydrophobicContact CG-CB 3.82Å; P230-E263 HydrophobicContact CG-CG 3.81Å; P230-T286 HydrophobicContact CG-CG2 4.38Å; P230-Y289 WeakPolarHBondContact CD-OH 3.37Å
231	T	96.7	Very high	97.3	Very high	126 Å²	126	31.7 Å²	31.7	77%	0.773	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-8.1	178.7	54.7	0	0	0	0	113.6	E229	E229-T231 PolarHBondContact O-N 3.4Å
232	E	98.2	Very high	96.8	Very high	31 Å²	31	33.9 Å²	33.9	15%	0.145	19%	0.188	C	C	.	.	S	Bend	trans	-76.6	150.8	-174.8	-73.4	-157	-125	0	0	113.5	S184 R187 A228 E229 V234 I235 N236	S184-E232 VanDerWaalsContact CB-OE2 3.3Å; S184-E232 WeakPolarHBondContact CB-OE2 3.45Å; S184-E232 PolarHBondContact OG-OE2 2.99Å; R187-E232 IonicContact CZ-OE1 3.9Å; R187-E232 IonicContact CZ-OE2 3.39Å; R187-E232 IonicContact NE-OE1 3.39Å; R187-E232 IonicContact NE-OE2 2.85Å; R187-E232 PolarHBondContact NE-OE2 2.64Å; R187-E232 IonicContact NH2-OE1 2.99Å; R187-E232 PolarHBondContact NH2-OE1 3.23Å; R187-E232 IonicContact NH2-OE2 2.8Å; R187-E232 PolarHBondContact NH2-OE2 2.89Å; A228-E232 VanDerWaalsContact CA-OE1 3.25Å; A228-E232 WeakPolarHBondContact CA-OE1 3.27Å; A228-E232 HydrophobicContact CB-CB 4.04Å; A228-E232 HydrophobicContact CB-CG 4.42Å; E229-E232 HydrophobicContact CB-CG 4.43Å; E229-E232 PolarHBondContact N-OE1 3.4Å; E229-E232 WeakPolarHBondContact O-CB 3.26Å; E229-E232 PolarHBondContact O-N 2.76Å; E232-V234 VanDerWaalsContact C-N 3.27Å; E232-V234 PolarHBondContact O-N 3Å; E232-V234 VanDerWaalsContact O-N 3.12Å; E232-I235 PolarHBondContact O-N 3.15Å; E232-N236 PolarHBondContact O-N 2.95Å
233	P	98.2	Very high	96	Very high	54 Å²	54	34.9 Å²	34.9	35%	0.351	19%	0.194	S	C	.	.	H	α-helix	trans	-55.3	-35.3	-175.3	-29.3	36.2	0	0	0	115.3	R188 I235 N236 I237	R188-P233 HydrophobicContact CB-CB 4.11Å; R188-P233 HydrophobicContact CG-CB 3.74Å; P233-I235 VanDerWaalsContact C-N 3.32Å; P233-I235 PolarHBondContact O-N 3.18Å; P233-N236 PolarHBondContact O-N 3.18Å; P233-I237 WeakPolarHBondContact O-CG1 3.23Å; P233-I237 PolarHBondContact O-N 2.72Å
234	V	98.2	Very high	94.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-37.4	178.6	63.7	0	0	0	0	112.2	L177 R187 F226 A228 E232 I237 L238	L177-V234 HydrophobicContact CD1-CG1 4.44Å; L177-V234 HydrophobicContact CD1-CG2 3.71Å; R187-V234 HydrophobicContact CB-CB 4.2Å; R187-V234 HydrophobicContact CB-CG1 4.07Å; R187-V234 VanDerWaalsContact O-CG2 3.27Å; R187-V234 WeakPolarHBondContact O-CG2 3.48Å; F226-V234 HydrophobicContact CD1-CG2 4.39Å; A228-V234 HydrophobicContact CB-CG1 3.32Å; E232-V234 VanDerWaalsContact C-N 3.27Å; E232-V234 PolarHBondContact O-N 3Å; E232-V234 VanDerWaalsContact O-N 3.12Å; V234-I237 WeakPolarHBondContact O-CB 3.44Å; V234-I237 PolarHBondContact O-N 3.11Å; V234-L238 HydrophobicContact CG2-CD1 4.36Å; V234-L238 WeakPolarHBondContact O-CD1 3.26Å; V234-L238 PolarHBondContact O-N 2.92Å
235	I	98.5	Very high	93.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-70.2	-42.7	178	-57.7	-53.5	0	0	0	109.8	F226 A228 E229 E232 P233 I237 L238 Q239 Y289 W291	F226-I235 HydrophobicContact CB-CD1 4.09Å; F226-I235 HydrophobicContact CD1-CD1 3.86Å; F226-I235 HydrophobicContact CG-CD1 4.09Å; A228-I235 HydrophobicContact CB-CD1 4.23Å; A228-I235 HydrophobicContact CB-CG1 4.12Å; E229-I235 WeakPolarHBondContact O-CG1 3.16Å; E232-I235 PolarHBondContact O-N 3.15Å; P233-I235 VanDerWaalsContact C-N 3.32Å; P233-I235 PolarHBondContact O-N 3.18Å; I235-I237 VanDerWaalsContact C-N 3.26Å; I235-I237 PolarHBondContact O-N 3.25Å; I235-L238 PolarHBondContact O-N 2.97Å; I235-L238 VanDerWaalsContact O-N 3.08Å; I235-Q239 HydrophobicContact CG2-CG 4.36Å; I235-Q239 WeakPolarHBondContact O-CG 3.45Å; I235-Q239 PolarHBondContact O-N 3.23Å; I235-Y289 HydrophobicContact CD1-CD2 4.14Å; I235-Y289 HydrophobicContact CD1-CE1 4.33Å; I235-Y289 HydrophobicContact CD1-CE2 3.6Å; I235-Y289 HydrophobicContact CG1-CE2 4.44Å; I235-W291 HydrophobicContact CD1-CZ2 4.48Å; I235-W291 HydrophobicContact CG2-CH2 4.09Å; I235-W291 HydrophobicContact CG2-CZ2 3.97Å
236	N	97.7	Very high	91.2	Very high	82 Å²	82	50.8 Å²	50.8	44%	0.439	29%	0.288	S	S	.	.	H	α-helix	trans	-60.2	-34.3	174.1	-172.7	45.1	0	0	0	112.7	E232 P233 N240	E232-N236 PolarHBondContact O-N 2.95Å; P233-N236 PolarHBondContact O-N 3.18Å; N236-N240 VanDerWaalsContact CG-ND2 3.29Å; N236-N240 PolarHBondContact ND2-ND2 2.92Å; N236-N240 WeakPolarHBondContact O-CB 3.31Å; N236-N240 PolarHBondContact O-N 3.18Å; N236-N240 PolarHBondContact O-ND2 3.35Å; N236-N240 PolarHBondContact OD1-ND2 2.9Å
237	I	97.6	Very high	89.5	Confident	36 Å²	36	51.9 Å²	51.9	19%	0.185	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-43.7	173.6	-74.4	162.5	0	0	0	111.1	R188 E192 V195 P233 V234 I235 F241	R188-I237 HydrophobicContact CG-CD1 3.65Å; R188-I237 WeakPolarHBondContact O-CD1 3.28Å; E192-I237 HydrophobicContact CG-CD1 3.83Å; V195-I237 HydrophobicContact CB-CG2 4.36Å; V195-I237 HydrophobicContact CG2-CG2 3.65Å; P233-I237 WeakPolarHBondContact O-CG1 3.23Å; P233-I237 PolarHBondContact O-N 2.72Å; V234-I237 WeakPolarHBondContact O-CB 3.44Å; V234-I237 PolarHBondContact O-N 3.11Å; I235-I237 VanDerWaalsContact C-N 3.26Å; I235-I237 PolarHBondContact O-N 3.25Å; I237-F241 PolarHBondContact O-N 2.99Å
238	L	96.8	Very high	88.1	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-67.8	-45	177.1	-87.1	76.8	0	0	0	111.4	L194 F226 V234 I235 N240 F241 L251 W291	L194-L238 HydrophobicContact CD2-CD1 4.37Å; F226-L238 HydrophobicContact CE1-CD1 3.99Å; F226-L238 HydrophobicContact CE1-CD2 3.44Å; F226-L238 VanDerWaalsContact CE1-CD2 3.44Å; F226-L238 HydrophobicContact CE1-CG 4.39Å; F226-L238 HydrophobicContact CZ-CD2 3.55Å; V234-L238 HydrophobicContact CG2-CD1 4.36Å; V234-L238 WeakPolarHBondContact O-CD1 3.26Å; V234-L238 PolarHBondContact O-N 2.92Å; I235-L238 PolarHBondContact O-N 2.97Å; I235-L238 VanDerWaalsContact O-N 3.08Å; L238-N240 VanDerWaalsContact C-N 3.28Å; L238-N240 PolarHBondContact O-N 3.34Å; L238-F241 WeakPolarHBondContact O-CB 3.44Å; L238-F241 PolarHBondContact O-N 3.05Å; L238-L251 HydrophobicContact CB-CD1 4.39Å; L238-L251 HydrophobicContact CD2-CD1 4.5Å; L238-L251 HydrophobicContact CG-CD1 4.17Å; L238-W291 HydrophobicContact CB-CD2 4.35Å; L238-W291 HydrophobicContact CB-CE3 4.32Å; L238-W291 HydrophobicContact CB-CH2 4.17Å; L238-W291 HydrophobicContact CB-CZ2 4.17Å; L238-W291 HydrophobicContact CB-CZ3 4.22Å; L238-W291 HydrophobicContact CD2-CD2 3.78Å; L238-W291 HydrophobicContact CD2-CE3 4.49Å; L238-W291 HydrophobicContact CD2-CG 3.86Å; L238-W291 HydrophobicContact CD2-CZ2 4.28Å
239	Q	94.4	Very high	87.3	Confident	71 Å²	71	56.1 Å²	56.1	33%	0.332	32%	0.316	S	S	.	.	H	α-helix	trans	-60.6	-36.2	178.8	-70.3	173.3	-25	0	0	112.9	I235 F241 W291	I235-Q239 HydrophobicContact CG2-CG 4.36Å; I235-Q239 WeakPolarHBondContact O-CG 3.45Å; I235-Q239 PolarHBondContact O-N 3.23Å; Q239-F241 VanDerWaalsContact C-N 3.29Å; Q239-W291 HydrophobicContact CG-CH2 3.62Å; Q239-W291 HydrophobicContact CG-CZ3 3.94Å
240	N	93.4	Very high	86.8	Confident	109 Å²	109	56.9 Å²	56.9	58%	0.583	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	3.1	177.4	-67.2	-49	0	0	0	113.5	N236 L238 S242	N236-N240 VanDerWaalsContact CG-ND2 3.29Å; N236-N240 PolarHBondContact ND2-ND2 2.92Å; N236-N240 WeakPolarHBondContact O-CB 3.31Å; N236-N240 PolarHBondContact O-N 3.18Å; N236-N240 PolarHBondContact O-ND2 3.35Å; N236-N240 PolarHBondContact OD1-ND2 2.9Å; L238-N240 VanDerWaalsContact C-N 3.28Å; L238-N240 PolarHBondContact O-N 3.34Å; N240-S242 PolarHBondContact O-N 3.26Å; N240-S242 VanDerWaalsContact O-N 3.16Å
241	F	92.4	Very high	86.6	Confident	6 Å²	6	55 Å²	55	3%	0.026	31%	0.306	C	S	.	.			trans	-59.3	122.9	176	176.8	-99.4	0	0	0	110.2	V195 L198 I202 I237 L238 Q239 Y249 L251	V195-F241 HydrophobicContact CB-CD2 4.18Å; V195-F241 HydrophobicContact CG1-CD2 3.61Å; V195-F241 HydrophobicContact CG1-CE2 3.99Å; V195-F241 HydrophobicContact CG2-CB 4.49Å; V195-F241 HydrophobicContact CG2-CD2 3.81Å; L198-F241 HydrophobicContact CB-CE2 3.99Å; L198-F241 HydrophobicContact CB-CZ 4.07Å; L198-F241 HydrophobicContact CD1-CE2 4.46Å; I202-F241 HydrophobicContact CD1-CE1 4.21Å; I202-F241 HydrophobicContact CD1-CZ 3.74Å; I237-F241 PolarHBondContact O-N 2.99Å; L238-F241 WeakPolarHBondContact O-CB 3.44Å; L238-F241 PolarHBondContact O-N 3.05Å; Q239-F241 VanDerWaalsContact C-N 3.29Å; F241-Y249 HydrophobicContact CE1-CD1 4.06Å; F241-Y249 HydrophobicContact CE1-CE1 4.37Å; F241-L251 HydrophobicContact CB-CB 4.36Å; F241-L251 HydrophobicContact CB-CD1 3.79Å; F241-L251 HydrophobicContact CB-CG 4.18Å; F241-L251 HydrophobicContact CD1-CB 4.43Å; F241-L251 HydrophobicContact CD1-CD1 3.85Å; F241-L251 HydrophobicContact CD1-CG 3.68Å; F241-L251 HydrophobicContact CE1-CG 4.42Å; F241-L251 HydrophobicContact CG-CD1 3.81Å; F241-L251 HydrophobicContact CG-CG 4.13Å
242	S	85.2	Confident	86.5	Confident	46 Å²	46	50.6 Å²	50.6	32%	0.322	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-145.1	130.7	171.1	-178.7	0	0	0	0	108.7	N240 N244	N240-S242 PolarHBondContact O-N 3.26Å; N240-S242 VanDerWaalsContact O-N 3.16Å; S242-N244 VanDerWaalsContact C-N 3.33Å; S242-N244 PolarHBondContact O-N 2.9Å; S242-N244 PolarHBondContact OG-O 3.19Å
243	L	80.6	Confident	86.4	Confident	21 Å²	21	49.2 Å²	49.2	11%	0.11	27%	0.272	C	S	.	.	S	Bend	trans	-65.3	-37.7	-178.6	-177.3	71.4	0	0	0	112.3	I202 F217	I202-L243 HydrophobicContact CB-CD1 3.89Å; I202-L243 HydrophobicContact CD1-CD1 4.25Å; I202-L243 HydrophobicContact CG2-CD1 3.72Å; I202-L243 HydrophobicContact CG2-CD2 3.53Å; I202-L243 HydrophobicContact CG2-CG 4.26Å; F217-L243 HydrophobicContact CD1-CD2 4.04Å; F217-L243 HydrophobicContact CE1-CD2 3.25Å; F217-L243 HydrophobicContact CE2-CD2 3.97Å; F217-L243 HydrophobicContact CZ-CD2 3.22Å
244	N	72.3	Confident	86.4	Confident	71 Å²	71	46.6 Å²	46.6	38%	0.38	26%	0.255	S	S	.	.	S	Bend	trans	-159.6	161.5	170.1	64.8	54.2	0	0	0	110.3	S242 N246 T247	S242-N244 VanDerWaalsContact C-N 3.33Å; S242-N244 PolarHBondContact O-N 2.9Å; S242-N244 PolarHBondContact OG-O 3.19Å; N244-N246 PolarHBondContact O-N 2.88Å; N244-N246 WeakPolarHBondContact OD1-CA 3.38Å; N244-N246 PolarHBondContact OD1-N 2.93Å; N244-T247 VanDerWaalsContact CG-CG2 3.48Å; N244-T247 PolarHBondContact N-OG1 3.32Å; N244-T247 WeakPolarHBondContact ND2-CG2 3.31Å; N244-T247 PolarHBondContact O-N 3.41Å; N244-T247 PolarHBondContact O-OG1 3.11Å; N244-T247 WeakPolarHBondContact OD1-CB 3.37Å; N244-T247 WeakPolarHBondContact OD1-CG2 3.4Å; N244-T247 PolarHBondContact OD1-N 3.37Å; N244-T247 PolarHBondContact OD1-OG1 3.11Å; N244-T247 VanDerWaalsContact OD1-OG1 3.08Å
245	S	64.6	Low	86.4	Confident	115 Å²	115	47.2 Å²	47.2	80%	0.804	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-22.5	-177	59.5	0	0	0	0	114.9
246	N	59.5	Low	86.4	Confident	149 Å²	149	51.2 Å²	51.2	80%	0.797	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-4.7	-175	-63.6	-0.4	0	0	0	112.6	N244	N244-N246 PolarHBondContact O-N 2.88Å; N244-N246 WeakPolarHBondContact OD1-CA 3.38Å; N244-N246 PolarHBondContact OD1-N 2.93Å
247	T	63.8	Low	86.4	Confident	22 Å²	22	49.8 Å²	49.8	14%	0.135	27%	0.268	C	S	.	.			trans	-97.1	132.8	-179.7	49.7	0	0	0	0	111.2	F217 N244 Y249	F217-T247 HydrophobicContact CE2-CG2 3.9Å; F217-T247 HydrophobicContact CZ-CG2 4.29Å; N244-T247 VanDerWaalsContact CG-CG2 3.48Å; N244-T247 PolarHBondContact N-OG1 3.32Å; N244-T247 WeakPolarHBondContact ND2-CG2 3.31Å; N244-T247 PolarHBondContact O-N 3.41Å; N244-T247 PolarHBondContact O-OG1 3.11Å; N244-T247 WeakPolarHBondContact OD1-CB 3.37Å; N244-T247 WeakPolarHBondContact OD1-CG2 3.4Å; N244-T247 PolarHBondContact OD1-N 3.37Å; N244-T247 PolarHBondContact OD1-OG1 3.11Å; N244-T247 VanDerWaalsContact OD1-OG1 3.08Å; T247-Y249 PolarHBondContact O-N 2.89Å
248	L	68.3	Low	86.4	Confident	107 Å²	107	48.7 Å²	48.7	56%	0.56	26%	0.264	S	S	*	.			trans	-74.2	9.6	166.7	-73.9	157.7	0	0	0	112.6	K250 R295	L248-K250 PolarHBondContact O-N 3.32Å; L248-R295 HydrophobicContact CB-CG 4.06Å
249	Y	80.2	Confident	86.4	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.012	29%	0.287	C	S	.	.			trans	-80.1	89.6	-178	-160.9	-100.2	0	0	0	109.7	I202 F217 P218 I220 F241 T247 C293 R295	I202-Y249 HydrophobicContact CD1-CD1 4.04Å; I202-Y249 HydrophobicContact CD1-CE1 3.52Å; I202-Y249 HydrophobicContact CG1-CE1 4.27Å; F217-Y249 HydrophobicContact CB-CD2 3.46Å; F217-Y249 VanDerWaalsContact CB-CD2 3.46Å; F217-Y249 HydrophobicContact CB-CE2 3.22Å; F217-Y249 HydrophobicContact CB-CG 4.24Å; F217-Y249 AromaticContact CD2-CD2 3.88Å; F217-Y249 HydrophobicContact CD2-CD2 3.88Å; F217-Y249 HydrophobicContact CD2-CG 4.15Å; F217-Y249 AromaticContact CG-CD2 3.91Å; F217-Y249 HydrophobicContact CG-CD2 3.91Å; F217-Y249 HydrophobicContact CG-CE2 4.11Å; F217-Y249 HydrophobicContact CG-CG 4.28Å; P218-Y249 PolarHBondContact O-OH 3.48Å; I220-Y249 WeakPolarHBondContact CB-OH 3.49Å; I220-Y249 HydrophobicContact CD1-CE1 4.28Å; I220-Y249 WeakPolarHBondContact CD1-OH 3.32Å; I220-Y249 WeakPolarHBondContact CG1-OH 3.48Å; F241-Y249 HydrophobicContact CE1-CD1 4.06Å; F241-Y249 HydrophobicContact CE1-CE1 4.37Å; T247-Y249 PolarHBondContact O-N 2.89Å; Y249-C293 HydrophobicContact CD1-CB 4.45Å; Y249-C293 HydrophobicContact CD2-CB 4.07Å; Y249-C293 HydrophobicContact CE1-CB 3.9Å; Y249-C293 WeakPolarHBondContact CE1-SG 3.38Å; Y249-C293 HydrophobicContact CE2-CB 3.47Å; Y249-C293 VanDerWaalsContact CE2-CB 3.47Å; Y249-R295 HydrophobicContact CD2-CB 4.34Å
250	K	88.6	Confident	86.5	Confident	102 Å²	102	50.4 Å²	50.4	44%	0.443	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-117	149.5	-176.2	-65.7	-177.2	178.7	-176.9	0	110.8	L248 C293	L248-K250 PolarHBondContact O-N 3.32Å; K250-C293 WeakPolarHBondContact O-CA 3.4Å
251	L	93.2	Very high	86.6	Confident	5 Å²	5	49.4 Å²	49.4	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.4	169.2	-73.5	170.1	0	0	0	109.5	L198 I222 L238 F241 W291 C293	L198-L251 HydrophobicContact CD1-CD1 4.08Å; I222-L251 HydrophobicContact CD1-CD1 3.79Å; I222-L251 HydrophobicContact CD1-CD2 3.84Å; I222-L251 HydrophobicContact CG1-CD2 4.4Å; L238-L251 HydrophobicContact CB-CD1 4.39Å; L238-L251 HydrophobicContact CD2-CD1 4.5Å; L238-L251 HydrophobicContact CG-CD1 4.17Å; F241-L251 HydrophobicContact CB-CB 4.36Å; F241-L251 HydrophobicContact CB-CD1 3.79Å; F241-L251 HydrophobicContact CB-CG 4.18Å; F241-L251 HydrophobicContact CD1-CB 4.43Å; F241-L251 HydrophobicContact CD1-CD1 3.85Å; F241-L251 HydrophobicContact CD1-CG 3.68Å; F241-L251 HydrophobicContact CE1-CG 4.42Å; F241-L251 HydrophobicContact CG-CD1 3.81Å; F241-L251 HydrophobicContact CG-CG 4.13Å; L251-W291 HydrophobicContact CB-CE3 3.97Å; L251-W291 HydrophobicContact CD2-CB 4.3Å; L251-C293 VanDerWaalsContact CD2-SG 3.55Å
252	T	94.4	Very high	86.8	Confident	32 Å²	32	56.4 Å²	56.4	20%	0.196	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.8	175.8	-57.1	0	0	0	0	109.6	T257 W291 Y292	T252-T257 WeakPolarHBondContact CG2-OG1 3.39Å; T252-W291 VanDerWaalsContact C-CE3 3.42Å; T252-W291 WeakPolarHBondContact O-CA 3.28Å; T252-Y292 HydrophobicContact CG2-CE1 4.12Å; T252-Y292 PolarHBondContact N-O 3.29Å; T252-Y292 WeakPolarHBondContact O-CD1 3.33Å; T252-Y292 WeakPolarHBondContact O-CE1 3.47Å; T252-Y292 PolarHBondContact O-N 3.24Å
253	S	97.5	Very high	87.4	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.014	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	127.9	172.2	165.7	0	0	0	0	109.6	Y255 Y256 T257 E263	S253-Y255 VanDerWaalsContact C-N 3.29Å; S253-Y255 PolarHBondContact O-N 3.17Å; S253-Y256 WeakPolarHBondContact O-CB 3.34Å; S253-Y256 PolarHBondContact O-N 3.36Å; S253-Y256 PolarHBondContact OG-N 3.28Å; S253-T257 PolarHBondContact O-N 2.86Å; S253-T257 VanDerWaalsContact O-N 3.12Å; S253-T257 PolarHBondContact O-OG1 3.36Å; S253-E263 WeakPolarHBondContact CB-OE1 3.28Å; S253-E263 PolarHBondContact OG-OE1 3.33Å; S253-E263 PolarHBondContact OG-OE2 3.11Å
254	A	98.1	Very high	88.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-59.5	-41	179.5	0	0	0	0	0	112.1	T257 A258 I290 Y292 L299 V302 A330 F332	A254-T257 PolarHBondContact O-N 3.47Å; A254-A258 WeakPolarHBondContact O-CB 3.45Å; A254-A258 PolarHBondContact O-N 2.96Å; A254-I290 HydrophobicContact CB-CB 4.27Å; A254-I290 HydrophobicContact CB-CG2 4.31Å; A254-I290 WeakPolarHBondContact CB-O 3.43Å; A254-I290 PolarHBondContact N-O 2.93Å; A254-Y292 HydrophobicContact CB-CD1 4.25Å; A254-Y292 HydrophobicContact CB-CE1 4.27Å; A254-L299 HydrophobicContact CB-CD1 3.87Å; A254-L299 HydrophobicContact CB-CD2 4.17Å; A254-L299 WeakPolarHBondContact O-CD2 3.33Å; A254-V302 HydrophobicContact CB-CG1 4.27Å; A254-A330 HydrophobicContact CB-CB 3.95Å; A254-F332 HydrophobicContact CB-CE1 4.48Å; A254-F332 HydrophobicContact CB-CZ 4.06Å
255	Y	98.5	Very high	89.4	Confident	13 Å²	13	58.4 Å²	58.4	5%	0.051	34%	0.336	C	S	.	.	H	α-helix	trans	-76.3	-30.5	-178.9	-83.3	-102.4	0	0	0	112.4	S253 A258 G259 P264 I290 V302 W303 I305 L328 I329	S253-Y255 VanDerWaalsContact C-N 3.29Å; S253-Y255 PolarHBondContact O-N 3.17Å; Y255-A258 PolarHBondContact O-N 2.77Å; Y255-G259 PolarHBondContact O-N 3.17Å; Y255-P264 HydrophobicContact CD1-CG 4.39Å; Y255-I290 HydrophobicContact CE2-CD1 4.43Å; Y255-V302 HydrophobicContact CD1-CG2 4.33Å; Y255-V302 HydrophobicContact CD2-CG1 4.26Å; Y255-V302 HydrophobicContact CE1-CB 4.26Å; Y255-V302 HydrophobicContact CE1-CG2 4.07Å; Y255-V302 HydrophobicContact CE2-CB 4.06Å; Y255-V302 HydrophobicContact CE2-CG1 4.08Å; Y255-W303 WeakPolarHBondContact CE1-O 3.28Å; Y255-W303 PolarHBondContact OH-O 3.42Å; Y255-I305 HydrophobicContact CE1-CD1 4.49Å; Y255-I305 HydrophobicContact CE1-CG1 4.18Å; Y255-L328 HydrophobicContact CD1-CD2 4.33Å; Y255-L328 HydrophobicContact CD2-CB 4.3Å; Y255-L328 HydrophobicContact CD2-CD1 4.09Å; Y255-L328 HydrophobicContact CD2-CD2 4.45Å; Y255-L328 HydrophobicContact CE1-CD2 3.9Å; Y255-L328 HydrophobicContact CE2-CB 3.57Å; Y255-L328 HydrophobicContact CE2-CD1 4.17Å; Y255-L328 HydrophobicContact CE2-CD2 4.04Å; Y255-L328 HydrophobicContact CE2-CG 4.13Å; Y255-L328 WeakPolarHBondContact OH-CA 3.3Å; Y255-I329 PolarHBondContact OH-N 2.73Å; Y255-I329 PolarHBondContact OH-O 3.47Å
256	Y	97.9	Very high	91	Very high	84 Å²	84	53.4 Å²	53.4	33%	0.329	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-46.3	169.3	-177.5	-97.7	0	0	0	112.1	S253 G259 G260 C261 K262 E263	S253-Y256 WeakPolarHBondContact O-CB 3.34Å; S253-Y256 PolarHBondContact O-N 3.36Å; S253-Y256 PolarHBondContact OG-N 3.28Å; Y256-G259 PolarHBondContact O-N 3.04Å; Y256-G260 PolarHBondContact O-N 3.13Å; Y256-C261 HydrophobicContact CE1-CB 3.85Å; Y256-C261 HydrophobicContact CE2-CB 4.32Å; Y256-C261 WeakPolarHBondContact CE2-O 3.28Å; Y256-C261 VanDerWaalsContact CZ-C 3.45Å; Y256-C261 WeakPolarHBondContact O-CA 3.39Å; Y256-C261 PolarHBondContact O-N 2.95Å; Y256-C261 WeakPolarHBondContact OH-CB 3.36Å; Y256-C261 PolarHBondContact OH-O 3.29Å; Y256-K262 PolarHBondContact O-N 2.87Å; Y256-E263 WeakPolarHBondContact CB-OE1 3.28Å; Y256-E263 HydrophobicContact CD2-CG 4.21Å; Y256-E263 PolarHBondContact N-OE2 3.09Å
257	T	96.7	Very high	92.9	Very high	52 Å²	52	46.3 Å²	46.3	32%	0.319	26%	0.262	S	S	.	.	H	α-helix	trans	-62.5	-50.2	176.3	-59.9	0	0	0	0	110.6	L18 T252 S253 A254 G259 G260 L299	L18-T257 HydrophobicContact CD1-CG2 4.44Å; T252-T257 WeakPolarHBondContact CG2-OG1 3.39Å; S253-T257 PolarHBondContact O-N 2.86Å; S253-T257 VanDerWaalsContact O-N 3.12Å; S253-T257 PolarHBondContact O-OG1 3.36Å; A254-T257 PolarHBondContact O-N 3.47Å; T257-G259 VanDerWaalsContact C-N 3.28Å; T257-G259 PolarHBondContact O-N 2.8Å; T257-G260 PolarHBondContact O-N 2.5Å; T257-G260 VanDerWaalsContact O-N 3.11Å; T257-L299 HydrophobicContact CG2-CD2 3.93Å
258	A	97.7	Very high	94.5	Very high	13 Å²	13	45.2 Å²	45.2	11%	0.107	26%	0.256	C	S	.	.	H	α-helix	trans	-62.9	-33.1	-179.4	0	0	0	0	0	113.6	I16 L18 A254 Y255 G260 V302	I16-A258 HydrophobicContact CG2-CB 4.49Å; L18-A258 HydrophobicContact CD1-CB 3.87Å; A254-A258 WeakPolarHBondContact O-CB 3.45Å; A254-A258 PolarHBondContact O-N 2.96Å; Y255-A258 PolarHBondContact O-N 2.77Å; A258-G260 PolarHBondContact O-N 2.77Å; A258-V302 HydrophobicContact CB-CB 4.33Å; A258-V302 HydrophobicContact CB-CG1 3.99Å; A258-V302 HydrophobicContact CB-CG2 3.36Å
259	G	97.4	Very high	95.9	Very high	46 Å²	46	41 Å²	41	47%	0.474	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	6.5	177	0	0	0	0	0	114.6	Y255 Y256 T257 K262	Y255-G259 PolarHBondContact O-N 3.17Å; Y256-G259 PolarHBondContact O-N 3.04Å; T257-G259 VanDerWaalsContact C-N 3.28Å; T257-G259 PolarHBondContact O-N 2.8Å; G259-K262 WeakPolarHBondContact CA-O 3.32Å
260	G	96.1	Very high	96.5	Very high	61 Å²	61	41.7 Å²	41.7	63%	0.629	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.7	51.4	-179.6	0	0	0	0	0	112.4	Y256 T257 A258	Y256-G260 PolarHBondContact O-N 3.13Å; T257-G260 PolarHBondContact O-N 2.5Å; T257-G260 VanDerWaalsContact O-N 3.11Å; A258-G260 PolarHBondContact O-N 2.77Å
261	C	94.7	Very high	96.7	Very high	88 Å²	88	37.7 Å²	37.7	60%	0.595	22%	0.219	S	C	*	.	S	Bend	trans	70.3	32.6	-176.4	-54.7	0	0	0	0	114.1	Y256	Y256-C261 HydrophobicContact CE1-CB 3.85Å; Y256-C261 HydrophobicContact CE2-CB 4.32Å; Y256-C261 WeakPolarHBondContact CE2-O 3.28Å; Y256-C261 VanDerWaalsContact CZ-C 3.45Å; Y256-C261 WeakPolarHBondContact O-CA 3.39Å; Y256-C261 PolarHBondContact O-N 2.95Å; Y256-C261 WeakPolarHBondContact OH-CB 3.36Å; Y256-C261 PolarHBondContact OH-O 3.29Å
262	K	97.2	Very high	96.6	Very high	152 Å²	152	40 Å²	40	66%	0.661	23%	0.227	S	C	*	.			trans	-146.7	130	175.3	-166.8	-175.3	174.7	-177.6	0	110.4	Y256 G259	Y256-K262 PolarHBondContact O-N 2.87Å; G259-K262 WeakPolarHBondContact CA-O 3.32Å
263	E	98.2	Very high	96.1	Very high	15 Å²	15	43.1 Å²	43.1	7%	0.07	24%	0.238	C	C	.	.			trans	-66.7	157.9	171.2	-68.6	-65.1	-175	0	0	111.4	P230 S253 Y256 T286 Y289	P230-E263 HydrophobicContact CB-CG 4.12Å; P230-E263 HydrophobicContact CG-CB 3.82Å; P230-E263 HydrophobicContact CG-CG 3.81Å; S253-E263 WeakPolarHBondContact CB-OE1 3.28Å; S253-E263 PolarHBondContact OG-OE1 3.33Å; S253-E263 PolarHBondContact OG-OE2 3.11Å; Y256-E263 WeakPolarHBondContact CB-OE1 3.28Å; Y256-E263 HydrophobicContact CD2-CG 4.21Å; Y256-E263 PolarHBondContact N-OE2 3.09Å; E263-T286 HydrophobicContact CB-CG2 4.11Å; E263-Y289 HydrophobicContact CG-CE1 4.19Å
264	P	97.9	Very high	95.1	Very high	36 Å²	36	45 Å²	45	23%	0.234	25%	0.251	C	S	.	.			trans	-58.9	160.4	177.1	23.3	-33.1	0	0	0	111.7	Y255 F266 T267 T286 I305	Y255-P264 HydrophobicContact CD1-CG 4.39Å; P264-F266 VanDerWaalsContact C-N 3.25Å; P264-F266 PolarHBondContact O-N 3.16Å; P264-T267 HydrophobicContact CG-CG2 3.98Å; P264-T286 HydrophobicContact CG-CG2 4.05Å; P264-T286 PolarHBondContact O-OG1 3.35Å; P264-I305 HydrophobicContact CB-CD1 3.76Å; P264-I305 HydrophobicContact CG-CD1 3.78Å
265	E	97	Very high	94	Very high	130 Å²	130	53.5 Å²	53.5	61%	0.607	29%	0.288	S	S	*	.	S	Bend	trans	-59.8	-39.9	175.7	-176.6	-171.2	167.4	0	0	111.4	K308	E265-K308 WeakPolarHBondContact OE1-CE 3.3Å; E265-K308 IonicContact OE1-NZ 3.87Å; E265-K308 PolarHBondContact OE1-NZ 3.21Å
266	F	98.4	Very high	92.9	Very high	9 Å²	9	64 Å²	64	4%	0.039	33%	0.328	C	S	.	.			trans	-153.4	154.6	177.9	68.2	-85.8	0	0	0	112	P264 W269 H285 T286 I305 P306 K308 I311	P264-F266 VanDerWaalsContact C-N 3.25Å; P264-F266 PolarHBondContact O-N 3.16Å; F266-W269 HydrophobicContact CD2-CB 4.04Å; F266-W269 HydrophobicContact CE2-CB 4.36Å; F266-H285 WeakPolarHBondContact CA-O 3.23Å; F266-T286 WeakPolarHBondContact CA-OG1 3.49Å; F266-T286 PolarHBondContact N-OG1 2.82Å; F266-I305 HydrophobicContact CE2-CG2 3.95Å; F266-I305 HydrophobicContact CZ-CG2 4.21Å; F266-I305 WeakPolarHBondContact O-CD1 3.11Å; F266-P306 WeakPolarHBondContact CZ-O 3.25Å; F266-K308 HydrophobicContact CE1-CG 3.8Å; F266-K308 HydrophobicContact CZ-CG 4.27Å; F266-I311 HydrophobicContact CE2-CD1 3.41Å; F266-I311 VanDerWaalsContact CE2-CD1 3.41Å; F266-I311 HydrophobicContact CZ-CD1 3.49Å; F266-I311 VanDerWaalsContact CZ-CD1 3.49Å
267	T	98.5	Very high	91.6	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	-119	-15.1	164.8	62.3	0	0	0	0	111.6	P264 H285 T286 I287 D288 I305 M326 L328	P264-T267 HydrophobicContact CG-CG2 3.98Å; T267-H285 PolarHBondContact N-O 3.33Å; T267-T286 HydrophobicContact CG2-CG2 3.78Å; T267-I287 PolarHBondContact OG1-N 3.35Å; T267-D288 VanDerWaalsContact CB-OD2 3.26Å; T267-D288 WeakPolarHBondContact CB-OD2 3.42Å; T267-D288 HydrophobicContact CG2-CB 4.02Å; T267-D288 WeakPolarHBondContact OG1-CB 2.99Å; T267-D288 PolarHBondContact OG1-N 3.35Å; T267-D288 VanDerWaalsContact OG1-N 3.12Å; T267-D288 PolarHBondContact OG1-OD2 2.67Å; T267-I305 HydrophobicContact CG2-CD1 3.93Å; T267-M326 WeakPolarHBondContact O-CB 3.37Å; T267-M326 PolarHBondContact O-N 3.45Å; T267-L328 HydrophobicContact CG2-CD1 4.35Å; T267-L328 HydrophobicContact CG2-CD2 4.11Å
268	T	98.1	Very high	90.6	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	145.3	168.5	179.5	0	0	0	0	109.5	C284 H285 I287 D324	T268-C284 WeakPolarHBondContact O-CA 3.33Å; T268-H285 WeakPolarHBondContact CG2-CD2 3.07Å; T268-H285 PolarHBondContact N-O 2.99Å; T268-H285 PolarHBondContact O-N 3.4Å; T268-I287 HydrophobicContact CG2-CD1 3.77Å; T268-I287 HydrophobicContact CG2-CG1 3.98Å; T268-D324 WeakPolarHBondContact CB-O 2.97Å; T268-D324 PolarHBondContact OG1-O 3.08Å
269	W	97.3	Very high	90.1	Very high	19 Å²	19	74.3 Å²	74.3	7%	0.072	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	96.1	175	-178.7	22.4	0	0	0	109.2	F266 E282 D283 C284 K308 I311 G312 G315 L316	F266-W269 HydrophobicContact CD2-CB 4.04Å; F266-W269 HydrophobicContact CE2-CB 4.36Å; W269-E282 PolarHBondContact NE1-OE1 3.49Å; W269-D283 CarbonylContact C-O 3.5Å; W269-D283 VanDerWaalsContact CA-O 3.28Å; W269-D283 WeakPolarHBondContact CA-O 3.45Å; W269-C284 HydrophobicContact CB-CB 4.45Å; W269-C284 VanDerWaalsContact CD1-CB 3.45Å; W269-C284 VanDerWaalsContact CD1-SG 3.58Å; W269-C284 HydrophobicContact CG-CB 4.08Å; W269-K308 HydrophobicContact CE3-CB 4.33Å; W269-K308 HydrophobicContact CE3-CD 4.47Å; W269-K308 HydrophobicContact CE3-CG 3.84Å; W269-K308 HydrophobicContact CH2-CB 3.87Å; W269-K308 HydrophobicContact CH2-CD 4.04Å; W269-K308 HydrophobicContact CH2-CG 3.9Å; W269-K308 HydrophobicContact CZ2-CD 4.29Å; W269-K308 HydrophobicContact CZ3-CB 3.55Å; W269-K308 HydrophobicContact CZ3-CD 4.15Å; W269-K308 HydrophobicContact CZ3-CG 3.52Å; W269-I311 HydrophobicContact CE3-CB 4.31Å; W269-I311 HydrophobicContact CE3-CD1 4.32Å; W269-I311 HydrophobicContact CE3-CG2 3.91Å; W269-I311 HydrophobicContact CZ3-CB 4.26Å; W269-I311 HydrophobicContact CZ3-CG2 4.08Å; W269-G312 WeakPolarHBondContact CZ3-O 3.49Å; W269-G315 CarbonylContact O-C 3.46Å; W269-G315 WeakPolarHBondContact O-CA 3.31Å; W269-L316 WeakPolarHBondContact O-CA 3.17Å; W269-L316 VanDerWaalsContact O-CB 3.32Å; W269-L316 WeakPolarHBondContact O-CB 3.46Å; W269-L316 PolarHBondContact O-N 3.24Å
270	K	93.5	Very high	89.7	Confident	17 Å²	17	76.2 Å²	76.2	7%	0.074	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	140.4	-172	60.9	-157.8	179.9	-165.9	0	111.7	E282 D283 D324	K270-E282 WeakPolarHBondContact O-CA 3.12Å; K270-D283 HydrophobicContact CG-CB 3.92Å; K270-D283 PolarHBondContact N-O 2.93Å; K270-D283 PolarHBondContact O-N 3.12Å; K270-D324 HydrophobicContact CB-CB 4.34Å; K270-D324 HydrophobicContact CD-CB 4.38Å; K270-D324 WeakPolarHBondContact CD-OD2 3.31Å; K270-D324 IonicContact NZ-OD2 3.28Å
271	I	93.3	Very high	89.4	Confident	18 Å²	18	75.6 Å²	75.6	9%	0.092	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	118	175.4	-51.4	167.8	0	0	0	108.1	I47 Y48 L280 T281 E282	I47-I271 HydrophobicContact CD1-CG2 4.17Å; Y48-I271 HydrophobicContact CD2-CB 4.06Å; Y48-I271 HydrophobicContact CD2-CD1 4.11Å; Y48-I271 HydrophobicContact CD2-CG2 4.28Å; Y48-I271 HydrophobicContact CE2-CB 3.96Å; Y48-I271 HydrophobicContact CE2-CD1 3.82Å; Y48-I271 HydrophobicContact CE2-CG2 3.72Å; I271-L280 HydrophobicContact CG2-CB 4.37Å; I271-L280 HydrophobicContact CG2-CD1 4.46Å; I271-T281 WeakPolarHBondContact CA-O 3.36Å; I271-E282 HydrophobicContact CG1-CB 4.39Å; I271-E282 HydrophobicContact CG1-CG 4.12Å
272	R	89.3	Confident	89.3	Confident	52 Å²	52	76.9 Å²	76.9	20%	0.196	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	155.8	-174.2	-63.4	177.8	-179.5	176.3	-8.2	110.3	D44 F46 L280 T281 D324	D44-R272 IonicContact OD2-NH2 3.34Å; F46-R272 HydrophobicContact CD1-CG 4.33Å; R272-L280 WeakPolarHBondContact O-CA 3.4Å; R272-T281 PolarHBondContact N-O 2.98Å; R272-T281 PolarHBondContact O-N 2.99Å; R272-T281 PolarHBondContact O-OG1 2.64Å; R272-D324 IonicContact CZ-OD2 3.4Å; R272-D324 IonicContact NH2-OD2 2.7Å; R272-D324 PolarHBondContact NH2-OD2 3.39Å
273	K	85.1	Confident	89.1	Confident	99 Å²	99	72.4 Å²	72.4	43%	0.43	35%	0.346	S	S	.	.			trans	-128	100.1	169.3	-172.3	175.7	-179.8	166.5	0	108.5	I47 V278 L280	I47-K273 HydrophobicContact CG2-CB 3.41Å; I47-K273 VanDerWaalsContact CG2-CB 3.41Å; K273-V278 WeakPolarHBondContact CE-O 3.13Å; K273-L280 HydrophobicContact CB-CD2 3.67Å; K273-L280 HydrophobicContact CD-CD2 4.03Å; K273-L280 HydrophobicContact CG-CD2 3.99Å
274	S	76.8	Confident	89.1	Confident	41 Å²	41	73.6 Å²	73.6	29%	0.287	36%	0.356	S	S	.	.			trans	-66.3	141.9	179.5	-177.8	0	0	0	0	110.6	E45 R276 I277	E45-S274 WeakPolarHBondContact OE2-CA 3.45Å; S274-R276 PolarHBondContact O-N 3.14Å; S274-R276 PolarHBondContact OG-N 3.41Å; S274-I277 CarbonylContact O-C 3.53Å; S274-I277 PolarHBondContact O-N 2.95Å; S274-I277 VanDerWaalsContact O-N 3.11Å
275	K	74.1	Confident	89	Confident	179 Å²	179	73.8 Å²	73.8	78%	0.778	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-23.9	167.6	-75.8	172	-168.9	130.4	0	114	E45	E45-K275 WeakPolarHBondContact OE1-CD 3.16Å; E45-K275 WeakPolarHBondContact OE1-CE 3.43Å; E45-K275 VanDerWaalsContact OE1-CG 3.25Å; E45-K275 WeakPolarHBondContact OE1-CG 3.4Å; E45-K275 IonicContact OE1-NZ 3.84Å; E45-K275 PolarHBondContact OE1-NZ 3.48Å; E45-K275 PolarHBondContact OE2-N 3.09Å
276	R	75.5	Confident	89.1	Confident	234 Å²	234	67.8 Å²	67.8	88%	0.883	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-21.6	-179.4	-63.1	-178.2	-177.2	176.4	0.4	113.8	S274	S274-R276 PolarHBondContact O-N 3.14Å; S274-R276 PolarHBondContact OG-N 3.41Å
277	I	70.2	Confident	89.1	Confident	85 Å²	85	67.5 Å²	67.5	44%	0.436	33%	0.325	S	S	.	.			trans	-118.3	112.9	-177.5	-56.9	176.2	0	0	0	107	S274 E279	S274-I277 CarbonylContact O-C 3.53Å; S274-I277 PolarHBondContact O-N 2.95Å; S274-I277 VanDerWaalsContact O-N 3.11Å; I277-E279 HydrophobicContact CG2-CB 4.22Å; I277-E279 PolarHBondContact O-N 3.37Å
278	V	77.2	Confident	89.1	Confident	126 Å²	126	67.6 Å²	67.6	76%	0.764	33%	0.325	S	S	*	.	S	Bend	trans	-66.1	-30	-177.4	-178.1	0	0	0	0	111.4	K273	K273-V278 WeakPolarHBondContact CE-O 3.13Å
279	E	86	Confident	89.2	Confident	154 Å²	154	67.6 Å²	67.6	72%	0.72	33%	0.325	S	S	*	.	S	Bend	trans	-77.3	151.5	178.3	-65.9	179.3	-178.3	0	0	112.4	I277	I277-E279 HydrophobicContact CG2-CB 4.22Å; I277-E279 PolarHBondContact O-N 3.37Å
280	L	88.3	Confident	89.2	Confident	85 Å²	85	66.7 Å²	66.7	45%	0.445	32%	0.322	S	S	.	.			trans	-72.2	139.5	172.5	-61	-177	0	0	0	109.7	I47 I271 R272 K273	I47-L280 HydrophobicContact CD1-CD1 4Å; I47-L280 HydrophobicContact CD1-CD2 3.43Å; I47-L280 VanDerWaalsContact CD1-CD2 3.43Å; I47-L280 HydrophobicContact CD1-CG 4.35Å; I271-L280 HydrophobicContact CG2-CB 4.37Å; I271-L280 HydrophobicContact CG2-CD1 4.46Å; R272-L280 WeakPolarHBondContact O-CA 3.4Å; K273-L280 HydrophobicContact CB-CD2 3.67Å; K273-L280 HydrophobicContact CD-CD2 4.03Å; K273-L280 HydrophobicContact CG-CD2 3.99Å
281	T	89.9	Confident	89.4	Confident	48 Å²	48	66 Å²	66	29%	0.294	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.2	170.2	58.1	0	0	0	0	109	I271 R272	I271-T281 WeakPolarHBondContact CA-O 3.36Å; R272-T281 PolarHBondContact N-O 2.98Å; R272-T281 PolarHBondContact O-N 2.99Å; R272-T281 PolarHBondContact O-OG1 2.64Å
282	E	93.4	Very high	89.5	Confident	115 Å²	115	65.9 Å²	65.9	54%	0.537	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.2	175.7	179.9	177.4	-177.5	0	0	108.9	W269 K270 I271	W269-E282 PolarHBondContact NE1-OE1 3.49Å; K270-E282 WeakPolarHBondContact O-CA 3.12Å; I271-E282 HydrophobicContact CG1-CB 4.39Å; I271-E282 HydrophobicContact CG1-CG 4.12Å
283	D	93.5	Very high	89.5	Confident	59 Å²	59	63.5 Å²	63.5	32%	0.316	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	112.2	173.4	-59.5	-58.1	0	0	0	107.8	W269 K270	W269-D283 CarbonylContact C-O 3.5Å; W269-D283 VanDerWaalsContact CA-O 3.28Å; W269-D283 WeakPolarHBondContact CA-O 3.45Å; K270-D283 HydrophobicContact CG-CB 3.92Å; K270-D283 PolarHBondContact N-O 2.93Å; K270-D283 PolarHBondContact O-N 3.12Å
284	C	96.8	Very high	88.7	Confident	39 Å²	39	61.9 Å²	61.9	26%	0.264	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	100.7	179.5	-169.7	0	0	0	0	109.2	T268 W269 K308	T268-C284 WeakPolarHBondContact O-CA 3.33Å; W269-C284 HydrophobicContact CB-CB 4.45Å; W269-C284 VanDerWaalsContact CD1-CB 3.45Å; W269-C284 VanDerWaalsContact CD1-SG 3.58Å; W269-C284 HydrophobicContact CG-CB 4.08Å; C284-K308 WeakPolarHBondContact SG-CE 3.48Å
285	H	97.3	Very high	88.6	Confident	40 Å²	40	64.3 Å²	64.3	19%	0.185	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	168.5	-170.9	55.6	-178.9	0	0	0	112.2	E229 F266 T267 T268	E229-H285 HydrophobicContact CG-CB 4.11Å; E229-H285 IonicContact OE1-ND1 3.74Å; E229-H285 PolarHBondContact OE1-ND1 2.93Å; F266-H285 WeakPolarHBondContact CA-O 3.23Å; T267-H285 PolarHBondContact N-O 3.33Å; T268-H285 WeakPolarHBondContact CG2-CD2 3.07Å; T268-H285 PolarHBondContact N-O 2.99Å; T268-H285 PolarHBondContact O-N 3.4Å
286	T	98.5	Very high	88.6	Confident	4 Å²	4	56.9 Å²	56.9	3%	0.025	28%	0.276	C	S	.	.			trans	-101.7	115.3	179.6	-70	0	0	0	0	110.5	E229 P230 E263 P264 F266 T267 Y289	E229-T286 WeakPolarHBondContact CA-O 3.42Å; P230-T286 HydrophobicContact CG-CG2 4.38Å; E263-T286 HydrophobicContact CB-CG2 4.11Å; P264-T286 HydrophobicContact CG-CG2 4.05Å; P264-T286 PolarHBondContact O-OG1 3.35Å; F266-T286 WeakPolarHBondContact CA-OG1 3.49Å; F266-T286 PolarHBondContact N-OG1 2.82Å; T267-T286 HydrophobicContact CG2-CG2 3.78Å; T286-Y289 HydrophobicContact CG2-CE1 4.24Å; T286-Y289 PolarHBondContact O-OH 2.89Å
287	I	98.6	Very high	89.1	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.021	24%	0.235	C	C	.	.			trans	-137.8	-3.6	-177.8	59.4	174.4	0	0	0	113.3	F226 E229 T267 T268 Y289	F226-I287 PolarHBondContact N-O 2.8Å; E229-I287 HydrophobicContact CG-CG2 4.43Å; T267-I287 PolarHBondContact OG1-N 3.35Å; T268-I287 HydrophobicContact CG2-CD1 3.77Å; T268-I287 HydrophobicContact CG2-CG1 3.98Å; I287-Y289 WeakPolarHBondContact O-CD2 3.24Å; I287-Y289 WeakPolarHBondContact O-CE2 3.31Å
288	D	98.9	Very high	90.1	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.6	178.3	-62.1	-86.9	0	0	0	110.1	Q32 G224 T267 H325 L328	Q32-D288 PolarHBondContact NE2-OD1 2.96Å; G224-D288 WeakPolarHBondContact O-CA 3.2Å; T267-D288 VanDerWaalsContact CB-OD2 3.26Å; T267-D288 WeakPolarHBondContact CB-OD2 3.42Å; T267-D288 HydrophobicContact CG2-CB 4.02Å; T267-D288 WeakPolarHBondContact OG1-CB 2.99Å; T267-D288 PolarHBondContact OG1-N 3.35Å; T267-D288 VanDerWaalsContact OG1-N 3.12Å; T267-D288 PolarHBondContact OG1-OD2 2.67Å; D288-H325 IonicContact OD1-ND1 2.95Å; D288-H325 PolarHBondContact OD1-ND1 3.39Å; D288-H325 IonicContact OD2-CE1 2.7Å; D288-H325 IonicContact OD2-CG 2.81Å; D288-H325 IonicContact OD2-ND1 3.23Å; D288-H325 PolarHBondContact OD2-ND1 2.94Å; D288-L328 HydrophobicContact CB-CD1 4.01Å; D288-L328 HydrophobicContact CB-CG 4.44Å; D288-L328 WeakPolarHBondContact O-CD1 3.36Å
289	Y	98.8	Very high	91	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	149	-174.1	-56.2	-95.5	0	0	0	112.7	C223 G224 F226 A228 P230 I235 E263 T286 I287 W291	C223-Y289 WeakPolarHBondContact CA-O 3.36Å; G224-Y289 PolarHBondContact N-O 3.26Å; G224-Y289 VanDerWaalsContact N-O 3.11Å; G224-Y289 PolarHBondContact O-N 3.44Å; F226-Y289 HydrophobicContact CB-CD2 3.91Å; F226-Y289 HydrophobicContact CB-CE2 3.92Å; F226-Y289 AromaticContact CD2-CD2 3.52Å; F226-Y289 HydrophobicContact CD2-CD2 3.52Å; F226-Y289 HydrophobicContact CD2-CE2 4.38Å; F226-Y289 HydrophobicContact CD2-CG 4.24Å; F226-Y289 HydrophobicContact CE2-CD2 4.24Å; F226-Y289 AromaticContact CG-CD2 3.83Å; F226-Y289 HydrophobicContact CG-CD2 3.83Å; F226-Y289 HydrophobicContact CG-CE2 4.27Å; A228-Y289 WeakPolarHBondContact O-CE2 3.31Å; A228-Y289 PolarHBondContact O-OH 3.3Å; P230-Y289 WeakPolarHBondContact CD-OH 3.37Å; I235-Y289 HydrophobicContact CD1-CD2 4.14Å; I235-Y289 HydrophobicContact CD1-CE1 4.33Å; I235-Y289 HydrophobicContact CD1-CE2 3.6Å; I235-Y289 HydrophobicContact CG1-CE2 4.44Å; E263-Y289 HydrophobicContact CG-CE1 4.19Å; T286-Y289 HydrophobicContact CG2-CE1 4.24Å; T286-Y289 PolarHBondContact O-OH 2.89Å; I287-Y289 WeakPolarHBondContact O-CD2 3.24Å; I287-Y289 WeakPolarHBondContact O-CE2 3.31Å; Y289-W291 HydrophobicContact CD1-CZ2 4.08Å; Y289-W291 HydrophobicContact CG-CZ2 4.45Å; Y289-W291 AromaticContact CG-NE1 3.69Å
290	I	98.7	Very high	91.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	105.8	163.1	-60.8	177.2	0	0	0	107.3	Q32 A254 Y255 L328 A330 F332	Q32-I290 HydrophobicContact CB-CD1 4.08Å; Q32-I290 HydrophobicContact CB-CG1 3.69Å; A254-I290 HydrophobicContact CB-CB 4.27Å; A254-I290 HydrophobicContact CB-CG2 4.31Å; A254-I290 WeakPolarHBondContact CB-O 3.43Å; A254-I290 PolarHBondContact N-O 2.93Å; Y255-I290 HydrophobicContact CE2-CD1 4.43Å; I290-L328 HydrophobicContact CD1-CB 3.79Å; I290-L328 HydrophobicContact CG1-CB 4.12Å; I290-A330 HydrophobicContact CD1-CB 4.05Å; I290-A330 HydrophobicContact CG2-CB 4.36Å; I290-F332 HydrophobicContact CG2-CE2 4.14Å; I290-F332 HydrophobicContact CG2-CZ 3.93Å
291	W	97.9	Very high	92.1	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	143.6	174	-60.6	84.1	0	0	0	110.7	F221 I222 F226 I235 L238 Q239 L251 T252 Y289	F221-W291 CarbonylContact C-O 3.52Å; F221-W291 VanDerWaalsContact CA-O 3.29Å; F221-W291 WeakPolarHBondContact CA-O 3.11Å; I222-W291 HydrophobicContact CB-CB 4.08Å; I222-W291 PolarHBondContact N-O 3.26Å; I222-W291 WeakPolarHBondContact O-CB 3.33Å; I222-W291 PolarHBondContact O-N 3.32Å; F226-W291 AromaticContact CE2-CD1 3.89Å; F226-W291 AromaticContact CE2-NE1 3.76Å; F226-W291 AromaticContact CZ-CD1 3.69Å; F226-W291 AromaticContact CZ-NE1 3.56Å; I235-W291 HydrophobicContact CD1-CZ2 4.48Å; I235-W291 HydrophobicContact CG2-CH2 4.09Å; I235-W291 HydrophobicContact CG2-CZ2 3.97Å; L238-W291 HydrophobicContact CB-CD2 4.35Å; L238-W291 HydrophobicContact CB-CE3 4.32Å; L238-W291 HydrophobicContact CB-CH2 4.17Å; L238-W291 HydrophobicContact CB-CZ2 4.17Å; L238-W291 HydrophobicContact CB-CZ3 4.22Å; L238-W291 HydrophobicContact CD2-CD2 3.78Å; L238-W291 HydrophobicContact CD2-CE3 4.49Å; L238-W291 HydrophobicContact CD2-CG 3.86Å; L238-W291 HydrophobicContact CD2-CZ2 4.28Å; Q239-W291 HydrophobicContact CG-CH2 3.62Å; Q239-W291 HydrophobicContact CG-CZ3 3.94Å; L251-W291 HydrophobicContact CB-CE3 3.97Å; L251-W291 HydrophobicContact CD2-CB 4.3Å; T252-W291 VanDerWaalsContact C-CE3 3.42Å; T252-W291 WeakPolarHBondContact O-CA 3.28Å; Y289-W291 HydrophobicContact CD1-CZ2 4.08Å; Y289-W291 HydrophobicContact CG-CZ2 4.45Å; Y289-W291 AromaticContact CG-NE1 3.69Å
292	Y	95.1	Very high	92.5	Very high	15 Å²	15	25.1 Å²	25.1	6%	0.059	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	159.2	174.9	70.6	-74.4	0	0	0	110.6	I220 T252 A254 D294 C297 L299 F332	I220-Y292 WeakPolarHBondContact O-CA 3.29Å; T252-Y292 HydrophobicContact CG2-CE1 4.12Å; T252-Y292 PolarHBondContact N-O 3.29Å; T252-Y292 WeakPolarHBondContact O-CD1 3.33Å; T252-Y292 WeakPolarHBondContact O-CE1 3.47Å; T252-Y292 PolarHBondContact O-N 3.24Å; A254-Y292 HydrophobicContact CB-CD1 4.25Å; A254-Y292 HydrophobicContact CB-CE1 4.27Å; Y292-D294 HydrophobicContact CE2-CB 4.25Å; Y292-C297 HydrophobicContact CD2-CB 4.28Å; Y292-L299 HydrophobicContact CE1-CB 4.38Å; Y292-L299 HydrophobicContact CE1-CD2 4.42Å; Y292-L299 HydrophobicContact CE2-CB 4.26Å; Y292-F332 AromaticContact CD1-CE1 3.65Å; Y292-F332 HydrophobicContact CD1-CE1 3.65Å; Y292-F332 HydrophobicContact CD1-CZ 4.18Å; Y292-F332 HydrophobicContact CD2-CD1 4.29Å; Y292-F332 AromaticContact CD2-CE1 3.91Å; Y292-F332 HydrophobicContact CD2-CE1 3.91Å; Y292-F332 HydrophobicContact CE1-CE1 4.21Å; Y292-F332 HydrophobicContact CE2-CE1 4.42Å; Y292-F332 HydrophobicContact CG-CD1 4.27Å; Y292-F332 AromaticContact CG-CE1 3.5Å; Y292-F332 HydrophobicContact CG-CE1 3.5Å; Y292-F332 VanDerWaalsContact CG-CE1 3.5Å; Y292-F332 HydrophobicContact CG-CZ 4.22Å
293	C	88.4	Confident	92.7	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.02	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123.1	171.2	-61	0	0	0	0	111	I220 Y249 K250 L251 R295 C297	I220-C293 PolarHBondContact O-N 2.65Å; Y249-C293 HydrophobicContact CD1-CB 4.45Å; Y249-C293 HydrophobicContact CD2-CB 4.07Å; Y249-C293 HydrophobicContact CE1-CB 3.9Å; Y249-C293 WeakPolarHBondContact CE1-SG 3.38Å; Y249-C293 HydrophobicContact CE2-CB 3.47Å; Y249-C293 VanDerWaalsContact CE2-CB 3.47Å; K250-C293 WeakPolarHBondContact O-CA 3.4Å; L251-C293 VanDerWaalsContact CD2-SG 3.55Å; C293-R295 VanDerWaalsContact C-N 3.34Å; C293-R295 PolarHBondContact O-N 3.15Å; C293-C297 WeakPolarHBondContact O-CB 3.41Å
294	D	68.9	Low	92.9	Very high	64 Å²	64	20.4 Å²	20.4	34%	0.342	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	1.8	-164.1	61.1	-4.8	0	0	0	117.3	Y292	Y292-D294 HydrophobicContact CE2-CB 4.25Å
295	R	73.6	Confident	93	Very high	92 Å²	92	19.8 Å²	19.8	35%	0.347	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-42.2	-171.6	-90	-89.5	-75.1	-156.9	-0.5	116	T215 L248 Y249 C293	T215-R295 PolarHBondContact O-NH2 3.26Å; T215-R295 PolarHBondContact OG1-NH2 3.01Å; T215-R295 VanDerWaalsContact OG1-NH2 3.07Å; L248-R295 HydrophobicContact CB-CG 4.06Å; Y249-R295 HydrophobicContact CD2-CB 4.34Å; C293-R295 VanDerWaalsContact C-N 3.34Å; C293-R295 PolarHBondContact O-N 3.15Å
296	L	74	Confident	92.9	Very high	24 Å²	24	17.9 Å²	17.9	13%	0.126	9%	0.087	C	C	.	.	S	Bend	trans	-113.9	4.2	177.5	-63.7	-174.4	0	0	0	112.6	V216 F217 P219 R335	V216-L296 HydrophobicContact CG1-CD1 3.42Å; V216-L296 VanDerWaalsContact CG1-CD1 3.42Å; V216-L296 HydrophobicContact CG1-CD2 4.12Å; V216-L296 HydrophobicContact CG1-CG 4.33Å; F217-L296 WeakPolarHBondContact O-CD1 3.39Å; F217-L296 WeakPolarHBondContact O-CG 3.48Å; P219-L296 HydrophobicContact CG-CB 4.46Å; L296-R335 PolarHBondContact O-N 3.07Å
297	C	86.8	Confident	92.8	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.02	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	116	-173.8	-176.3	0	0	0	0	107.9	F221 Y292 C293 F332 S333 L334	F221-C297 VanDerWaalsContact CZ-SG 3.58Å; Y292-C297 HydrophobicContact CD2-CB 4.28Å; C293-C297 WeakPolarHBondContact O-CB 3.41Å; C297-F332 VanDerWaalsContact SG-CB 3.59Å; C297-F332 WeakPolarHBondContact SG-CD1 3.3Å; C297-S333 WeakPolarHBondContact CA-O 3.22Å; C297-L334 HydrophobicContact CB-CD2 3.82Å
298	T	92	Very high	92.6	Very high	43 Å²	43	23 Å²	23	26%	0.264	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.2	173.1	-59	0	0	0	0	108.4	E19 L300 F332 S333	E19-T298 HydrophobicContact CB-CG2 3.73Å; E19-T298 HydrophobicContact CG-CG2 3.96Å; T298-L300 PolarHBondContact O-N 3.24Å; T298-F332 CarbonylContact O-C 3.52Å; T298-F332 VanDerWaalsContact O-CA 3.25Å; T298-F332 WeakPolarHBondContact O-CA 3.06Å; T298-S333 PolarHBondContact N-O 2.7Å; T298-S333 PolarHBondContact O-N 2.82Å
299	L	96.2	Very high	92.4	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.037	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	114.1	170.2	178.2	69.5	0	0	0	109	L18 A254 T257 Y292 V302 A330 F332	L18-L299 HydrophobicContact CD1-CD2 3.44Å; L18-L299 VanDerWaalsContact CD1-CD2 3.44Å; L18-L299 HydrophobicContact CD1-CG 3.84Å; A254-L299 HydrophobicContact CB-CD1 3.87Å; A254-L299 HydrophobicContact CB-CD2 4.17Å; A254-L299 WeakPolarHBondContact O-CD2 3.33Å; T257-L299 HydrophobicContact CG2-CD2 3.93Å; Y292-L299 HydrophobicContact CE1-CB 4.38Å; Y292-L299 HydrophobicContact CE1-CD2 4.42Å; Y292-L299 HydrophobicContact CE2-CB 4.26Å; L299-V302 HydrophobicContact CD1-CG1 4.03Å; L299-V302 HydrophobicContact CD2-CG1 4.49Å; L299-A330 HydrophobicContact CD1-CB 4.03Å; L299-F332 HydrophobicContact CB-CD1 4.23Å; L299-F332 HydrophobicContact CB-CE1 4.16Å; L299-F332 HydrophobicContact CD1-CD1 3.93Å; L299-F332 HydrophobicContact CD1-CE1 3.47Å; L299-F332 VanDerWaalsContact CD1-CE1 3.47Å; L299-F332 HydrophobicContact CD1-CZ 3.89Å; L299-F332 HydrophobicContact CG-CE1 4.41Å
300	L	97.7	Very high	92.2	Very high	11 Å²	11	33.6 Å²	33.6	6%	0.058	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-33.9	178.9	-62.8	175.4	0	0	0	111.7	L18 E19 N20 K27 T298 D331	L18-L300 PolarHBondContact N-O 3.11Å; E19-L300 HydrophobicContact CB-CD2 4.48Å; E19-L300 PolarHBondContact N-O 2.7Å; E19-L300 VanDerWaalsContact O-CD2 3.26Å; E19-L300 WeakPolarHBondContact O-CD2 3.38Å; N20-L300 VanDerWaalsContact C-CD2 3.49Å; K27-L300 HydrophobicContact CD-CD1 4.5Å; K27-L300 HydrophobicContact CG-CD1 4.49Å; T298-L300 PolarHBondContact O-N 3.24Å; L300-D331 HydrophobicContact CB-CB 4.19Å; L300-D331 WeakPolarHBondContact CB-O 3.31Å; L300-D331 PolarHBondContact N-O 3.31Å
301	G	98.4	Very high	92	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.5	177.6	179.7	0	0	0	0	0	112.5	Y15 I16 D331	Y15-G301 VanDerWaalsContact OH-CA 3.3Å; Y15-G301 WeakPolarHBondContact OH-CA 3.42Å; Y15-G301 PolarHBondContact OH-N 2.95Å; I16-G301 CarbonylContact O-C 3.55Å; I16-G301 WeakPolarHBondContact O-CA 3.24Å; G301-D331 PolarHBondContact O-N 2.85Å
302	V	98.8	Very high	91.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	154.3	178.9	-54.4	0	0	0	0	110.9	I16 A254 Y255 A258 L299 I329 A330	I16-V302 HydrophobicContact CB-CG2 4.17Å; I16-V302 HydrophobicContact CD1-CG2 4.1Å; I16-V302 HydrophobicContact CG1-CG2 4.49Å; I16-V302 PolarHBondContact N-O 3.48Å; I16-V302 PolarHBondContact O-N 3Å; I16-V302 VanDerWaalsContact O-N 3.14Å; A254-V302 HydrophobicContact CB-CG1 4.27Å; Y255-V302 HydrophobicContact CD1-CG2 4.33Å; Y255-V302 HydrophobicContact CD2-CG1 4.26Å; Y255-V302 HydrophobicContact CE1-CB 4.26Å; Y255-V302 HydrophobicContact CE1-CG2 4.07Å; Y255-V302 HydrophobicContact CE2-CB 4.06Å; Y255-V302 HydrophobicContact CE2-CG1 4.08Å; A258-V302 HydrophobicContact CB-CB 4.33Å; A258-V302 HydrophobicContact CB-CG1 3.99Å; A258-V302 HydrophobicContact CB-CG2 3.36Å; L299-V302 HydrophobicContact CD1-CG1 4.03Å; L299-V302 HydrophobicContact CD2-CG1 4.49Å; V302-I329 VanDerWaalsContact CA-O 3.31Å; V302-I329 WeakPolarHBondContact CA-O 3.21Å; V302-I329 WeakPolarHBondContact CB-O 3.37Å; V302-A330 HydrophobicContact CG1-CB 3.91Å
303	W	98.6	Very high	91.6	Very high	55 Å²	55	39.5 Å²	39.5	21%	0.208	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	132	168.1	-69.1	82.8	0	0	0	110.4	R13 Y15 Y70 Y255 I329	R13-W303 HydrophobicContact CB-CE3 3.92Å; Y15-W303 AromaticContact CD2-CD1 3.92Å; Y15-W303 HydrophobicContact CD2-CD2 4.08Å; Y15-W303 AromaticContact CD2-CE2 3.84Å; Y15-W303 HydrophobicContact CD2-CG 4.18Å; Y15-W303 HydrophobicContact CD2-CZ2 4.38Å; Y15-W303 AromaticContact CD2-NE1 3.69Å; Y70-W303 AromaticContact CD1-CD2 3.78Å; Y70-W303 HydrophobicContact CD1-CD2 3.78Å; Y70-W303 AromaticContact CD1-CE2 3.79Å; Y70-W303 HydrophobicContact CD1-CE3 4.15Å; Y70-W303 HydrophobicContact CD1-CG 4.14Å; Y70-W303 HydrophobicContact CD1-CH2 4.44Å; Y70-W303 HydrophobicContact CD1-CZ2 4.13Å; Y70-W303 HydrophobicContact CD1-CZ3 4.46Å; Y70-W303 AromaticContact CE1-CD2 3.66Å; Y70-W303 HydrophobicContact CE1-CD2 3.66Å; Y70-W303 AromaticContact CE1-CE3 3.58Å; Y70-W303 HydrophobicContact CE1-CE3 3.58Å; Y70-W303 HydrophobicContact CE1-CG 4.18Å; Y70-W303 HydrophobicContact CE1-CH2 4.27Å; Y70-W303 HydrophobicContact CE1-CZ2 4.37Å; Y70-W303 AromaticContact CE1-CZ3 3.89Å; Y70-W303 HydrophobicContact CE1-CZ3 3.89Å; Y255-W303 WeakPolarHBondContact CE1-O 3.28Å; Y255-W303 PolarHBondContact OH-O 3.42Å; W303-I329 HydrophobicContact CB-CB 4.12Å; W303-I329 HydrophobicContact CB-CD1 4.36Å; W303-I329 HydrophobicContact CG-CB 4.25Å; W303-I329 HydrophobicContact CG-CD1 4.39Å; W303-I329 PolarHBondContact N-O 3.28Å
304	S	97.9	Very high	91.9	Very high	21 Å²	21	43 Å²	43	15%	0.147	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-61.1	151.3	179.4	76.3	0	0	0	0	111.4	R13 S14	R13-S304 WeakPolarHBondContact CD-O 3.46Å; R13-S304 WeakPolarHBondContact CG-O 3.25Å; S14-S304 PolarHBondContact N-OG 3.07Å; S14-S304 WeakPolarHBondContact O-CB 2.9Å; S14-S304 PolarHBondContact O-N 3.05Å; S14-S304 PolarHBondContact O-OG 3.26Å; S14-S304 WeakPolarHBondContact OG-CB 3.33Å; S14-S304 PolarHBondContact OG-OG 3.22Å
305	I	97.4	Very high	93.1	Very high	26 Å²	26	40 Å²	40	13%	0.133	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-77.5	136.8	167.6	-59.3	176.5	0	0	0	107.7	Y255 P264 F266 T267 S307 M326 L328	Y255-I305 HydrophobicContact CE1-CD1 4.49Å; Y255-I305 HydrophobicContact CE1-CG1 4.18Å; P264-I305 HydrophobicContact CB-CD1 3.76Å; P264-I305 HydrophobicContact CG-CD1 3.78Å; F266-I305 HydrophobicContact CE2-CG2 3.95Å; F266-I305 HydrophobicContact CZ-CG2 4.21Å; F266-I305 WeakPolarHBondContact O-CD1 3.11Å; T267-I305 HydrophobicContact CG2-CD1 3.93Å; I305-S307 PolarHBondContact O-N 2.86Å; I305-M326 HydrophobicContact CG2-CB 3.99Å; I305-M326 HydrophobicContact CG2-CG 3.72Å; I305-M326 HydrophobicContact CG2-SD 4.49Å; I305-L328 HydrophobicContact CD1-CD2 3.6Å; I305-L328 HydrophobicContact CG1-CD2 3.91Å
306	P	96.5	Very high	94.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-52.9	136.1	173	-26.5	35.1	0	0	0	111.3	Y11 R13 F266 E310 I311 F321 M326	Y11-P306 HydrophobicContact CD2-CB 4.4Å; Y11-P306 HydrophobicContact CD2-CG 3.78Å; Y11-P306 HydrophobicContact CE2-CG 4.02Å; R13-P306 HydrophobicContact CG-CG 4.07Å; F266-P306 WeakPolarHBondContact CZ-O 3.25Å; P306-E310 HydrophobicContact CB-CB 4.13Å; P306-I311 HydrophobicContact CB-CG1 4.06Å; P306-F321 HydrophobicContact CB-CZ 4.38Å; P306-F321 HydrophobicContact CG-CE1 4.17Å; P306-F321 HydrophobicContact CG-CZ 4.38Å; P306-M326 HydrophobicContact CG-SD 4.05Å
307	S	95.2	Very high	95.2	Very high	50 Å²	50	34.8 Å²	34.8	35%	0.35	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-66.1	161.5	178.5	63.7	0	0	0	0	111.9	I305 N309 E310 I311	I305-S307 PolarHBondContact O-N 2.86Å; S307-N309 PolarHBondContact O-N 3.11Å; S307-N309 VanDerWaalsContact O-N 3.1Å; S307-E310 WeakPolarHBondContact CB-OE2 3.05Å; S307-E310 PolarHBondContact N-OE2 3.48Å; S307-E310 PolarHBondContact O-N 3.01Å; S307-E310 WeakPolarHBondContact OG-CG 3.19Å; S307-E310 PolarHBondContact OG-N 3.24Å; S307-E310 PolarHBondContact OG-OE2 2.84Å; S307-I311 PolarHBondContact O-N 3.34Å
308	K	95.3	Very high	95.5	Very high	65 Å²	65	35.6 Å²	35.6	28%	0.283	20%	0.2	S	C	.	.	H	α-helix	trans	-53.6	-32.3	173.2	-70.7	-174.5	165.5	163.8	0	113	E265 F266 W269 C284 G312	E265-K308 WeakPolarHBondContact OE1-CE 3.3Å; E265-K308 IonicContact OE1-NZ 3.87Å; E265-K308 PolarHBondContact OE1-NZ 3.21Å; F266-K308 HydrophobicContact CE1-CG 3.8Å; F266-K308 HydrophobicContact CZ-CG 4.27Å; W269-K308 HydrophobicContact CE3-CB 4.33Å; W269-K308 HydrophobicContact CE3-CD 4.47Å; W269-K308 HydrophobicContact CE3-CG 3.84Å; W269-K308 HydrophobicContact CH2-CB 3.87Å; W269-K308 HydrophobicContact CH2-CD 4.04Å; W269-K308 HydrophobicContact CH2-CG 3.9Å; W269-K308 HydrophobicContact CZ2-CD 4.29Å; W269-K308 HydrophobicContact CZ3-CB 3.55Å; W269-K308 HydrophobicContact CZ3-CD 4.15Å; W269-K308 HydrophobicContact CZ3-CG 3.52Å; C284-K308 WeakPolarHBondContact SG-CE 3.48Å; K308-G312 PolarHBondContact O-N 2.86Å
309	N	93.6	Very high	95.5	Very high	155 Å²	155	35 Å²	35	83%	0.829	20%	0.199	S	C	*	.	H	α-helix	trans	-70.1	-36.8	176.3	-71.1	-21.6	0	0	0	112.9	S307	S307-N309 PolarHBondContact O-N 3.11Å; S307-N309 VanDerWaalsContact O-N 3.1Å
310	E	94.3	Very high	95.3	Very high	69 Å²	69	36.7 Å²	36.7	32%	0.322	21%	0.207	S	C	.	.	H	α-helix	trans	-75.4	-34.6	176.3	-71.4	166.8	119.4	0	0	112	S12 P306 S307	S12-E310 PolarHBondContact N-OE1 2.84Å; S12-E310 PolarHBondContact OG-OE1 2.75Å; P306-E310 HydrophobicContact CB-CB 4.13Å; S307-E310 WeakPolarHBondContact CB-OE2 3.05Å; S307-E310 PolarHBondContact N-OE2 3.48Å; S307-E310 PolarHBondContact O-N 3.01Å; S307-E310 WeakPolarHBondContact OG-CG 3.19Å; S307-E310 PolarHBondContact OG-N 3.24Å; S307-E310 PolarHBondContact OG-OE2 2.84Å
311	I	94.8	Very high	95.2	Very high	14 Å²	14	36.6 Å²	36.6	7%	0.072	21%	0.207	C	C	.	.	H	α-helix	trans	-68.7	-41.7	173.6	-67.2	171.6	0	0	0	110.9	F266 W269 P306 S307 L316 F321 M326	F266-I311 HydrophobicContact CE2-CD1 3.41Å; F266-I311 VanDerWaalsContact CE2-CD1 3.41Å; F266-I311 HydrophobicContact CZ-CD1 3.49Å; F266-I311 VanDerWaalsContact CZ-CD1 3.49Å; W269-I311 HydrophobicContact CE3-CB 4.31Å; W269-I311 HydrophobicContact CE3-CD1 4.32Å; W269-I311 HydrophobicContact CE3-CG2 3.91Å; W269-I311 HydrophobicContact CZ3-CB 4.26Å; W269-I311 HydrophobicContact CZ3-CG2 4.08Å; P306-I311 HydrophobicContact CB-CG1 4.06Å; S307-I311 PolarHBondContact O-N 3.34Å; I311-L316 HydrophobicContact CD1-CD2 4.46Å; I311-L316 HydrophobicContact CG1-CD2 4.47Å; I311-L316 HydrophobicContact CG2-CD2 3.67Å; I311-L316 HydrophobicContact CG2-CG 4.21Å; I311-F321 HydrophobicContact CB-CE2 4.39Å; I311-F321 HydrophobicContact CG1-CE2 4.16Å; I311-F321 HydrophobicContact CG1-CZ 4.29Å; I311-M326 HydrophobicContact CD1-CE 3.72Å; I311-M326 HydrophobicContact CG1-CE 3.91Å
312	G	93.6	Very high	95	Very high	17 Å²	17	36.9 Å²	36.9	18%	0.175	21%	0.209	C	C	.	.			trans	92.1	165	-174.9	0	0	0	0	0	113	W269 K308 N314 G315	W269-G312 WeakPolarHBondContact CZ3-O 3.49Å; K308-G312 PolarHBondContact O-N 2.86Å; G312-N314 PolarHBondContact O-N 3.3Å; G312-G315 PolarHBondContact O-N 3.37Å
313	P	92.7	Very high	94.9	Very high	110 Å²	110	36.9 Å²	36.9	71%	0.714	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.4	-168.5	29.1	-37.5	0	0	0	114.6
314	N	92.9	Very high	94.8	Very high	78 Å²	78	34.4 Å²	34.4	42%	0.417	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-4.1	-177.1	-72.1	-6.9	0	0	0	113.2	Y48 G312	Y48-N314 HydrophobicContact CD2-CB 4.23Å; Y48-N314 HydrophobicContact CG-CB 4.01Å; G312-N314 PolarHBondContact O-N 3.3Å
315	G	94.8	Very high	94.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.194	C	C	.	.			trans	63	-144.4	-177.8	0	0	0	0	0	113.2	W269 G312	W269-G315 CarbonylContact O-C 3.46Å; W269-G315 WeakPolarHBondContact O-CA 3.31Å; G312-G315 PolarHBondContact O-N 3.37Å
316	L	96	Very high	94.9	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-124.4	150	-171.5	-50.9	173.7	0	0	0	111.9	W269 I311 F321 D324 M326	W269-L316 WeakPolarHBondContact O-CA 3.17Å; W269-L316 VanDerWaalsContact O-CB 3.32Å; W269-L316 WeakPolarHBondContact O-CB 3.46Å; W269-L316 PolarHBondContact O-N 3.24Å; I311-L316 HydrophobicContact CD1-CD2 4.46Å; I311-L316 HydrophobicContact CG1-CD2 4.47Å; I311-L316 HydrophobicContact CG2-CD2 3.67Å; I311-L316 HydrophobicContact CG2-CG 4.21Å; L316-F321 HydrophobicContact CD2-CB 3.65Å; L316-F321 HydrophobicContact CD2-CD2 3.8Å; L316-F321 HydrophobicContact CD2-CG 3.76Å; L316-D324 HydrophobicContact CB-CB 4.41Å; L316-D324 WeakPolarHBondContact CD1-O 3.12Å; L316-M326 HydrophobicContact CD1-CE 3.35Å; L316-M326 HydrophobicContact CD1-CG 4.05Å; L316-M326 HydrophobicContact CD2-CE 3.16Å; L316-M326 HydrophobicContact CG-CE 3.84Å
317	P	95.8	Very high	95	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.026	19%	0.188	C	C	.	.	S	Bend	cis	-70.2	170.9	-10.3	35.8	-35.3	0	0	0	110.1	L36 F46 C49 L54 F321 S323	L36-P317 HydrophobicContact CD2-CG 4.35Å; F46-P317 HydrophobicContact CB-CG 4.41Å; F46-P317 HydrophobicContact CD1-CG 4.06Å; F46-P317 HydrophobicContact CD2-CG 3.87Å; F46-P317 HydrophobicContact CE1-CG 4.26Å; F46-P317 HydrophobicContact CE2-CG 4.08Å; F46-P317 VanDerWaalsContact CG-CD 3.49Å; F46-P317 HydrophobicContact CG-CG 3.86Å; F46-P317 HydrophobicContact CZ-CG 4.26Å; C49-P317 HydrophobicContact CB-CG 4.2Å; C49-P317 WeakPolarHBondContact CB-O 3.25Å; L54-P317 HydrophobicContact CD1-CB 4.4Å; L54-P317 HydrophobicContact CD1-CG 3.68Å; L54-P317 HydrophobicContact CD2-CB 3.98Å; L54-P317 HydrophobicContact CD2-CG 4.17Å; P317-F321 WeakPolarHBondContact CB-O 3.39Å; P317-S323 WeakPolarHBondContact CA-O 3.38Å
318	S	94.1	Very high	95.1	Very high	20 Å²	20	30.3 Å²	30.3	14%	0.14	17%	0.172	C	C	.	.			trans	-139.9	-175.7	177.8	87.2	0	0	0	0	111.3	C49 I320 F321	C49-S318 VanDerWaalsContact SG-C 3.52Å; S318-I320 PolarHBondContact O-N 3.2Å; S318-I320 PolarHBondContact OG-N 2.91Å; S318-I320 VanDerWaalsContact OG-N 3.11Å; S318-F321 PolarHBondContact N-O 2.9Å; S318-F321 VanDerWaalsContact O-O 3.08Å; S318-F321 WeakPolarHBondContact OG-CD2 3.43Å; S318-F321 PolarHBondContact OG-N 2.91Å
319	A	90.4	Very high	95.3	Very high	31 Å²	31	27.2 Å²	27.2	26%	0.256	16%	0.158	S	C	.	.	S	Bend	trans	-55.7	-34.2	171	0	0	0	0	0	112.2	E8 M53 R58	E8-A319 HydrophobicContact CG-CB 4.49Å; M53-A319 HydrophobicContact CE-CB 3.49Å; M53-A319 VanDerWaalsContact CE-CB 3.49Å; R58-A319 PolarHBondContact NH2-O 2.85Å
320	I	92	Very high	95.6	Very high	41 Å²	41	19.8 Å²	19.8	21%	0.21	12%	0.119	C	C	.	.	S	Bend	trans	-98.3	-34.2	-172.4	-58.1	171.8	0	0	0	111.1	E8 K9 Y11 S318	E8-I320 HydrophobicContact CB-CD1 3.91Å; E8-I320 HydrophobicContact CB-CG1 3.93Å; E8-I320 HydrophobicContact CG-CD1 4.18Å; E8-I320 HydrophobicContact CG-CG1 3.81Å; K9-I320 VanDerWaalsContact O-CD1 3.29Å; K9-I320 WeakPolarHBondContact O-CD1 3.48Å; Y11-I320 HydrophobicContact CD1-CG2 3.7Å; Y11-I320 HydrophobicContact CE1-CG2 3.67Å; S318-I320 PolarHBondContact O-N 3.2Å; S318-I320 PolarHBondContact OG-N 2.91Å; S318-I320 VanDerWaalsContact OG-N 3.11Å
321	F	95.4	Very high	95.8	Very high	9 Å²	9	17.2 Å²	17.2	4%	0.039	11%	0.107	C	C	.	.			trans	-102.5	110.4	-178.8	-60	-74.5	0	0	0	110.4	Y11 P306 I311 L316 P317 S318 S323 M326	Y11-F321 AromaticContact CD1-CE1 3.7Å; Y11-F321 HydrophobicContact CD1-CE1 3.7Å; Y11-F321 HydrophobicContact CD1-CE2 4.44Å; Y11-F321 AromaticContact CD1-CZ 3.51Å; Y11-F321 HydrophobicContact CD1-CZ 3.51Å; Y11-F321 HydrophobicContact CD2-CE1 4.19Å; Y11-F321 HydrophobicContact CD2-CZ 4.25Å; Y11-F321 HydrophobicContact CE1-CD1 4.22Å; Y11-F321 AromaticContact CE1-CE1 3.46Å; Y11-F321 HydrophobicContact CE1-CE1 3.46Å; Y11-F321 VanDerWaalsContact CE1-CE1 3.46Å; Y11-F321 AromaticContact CE1-CZ 3.78Å; Y11-F321 HydrophobicContact CE1-CZ 3.78Å; Y11-F321 AromaticContact CE2-CE1 3.97Å; Y11-F321 HydrophobicContact CE2-CE1 3.97Å; Y11-F321 HydrophobicContact CE2-CZ 4.48Å; Y11-F321 HydrophobicContact CG-CE1 4.04Å; Y11-F321 AromaticContact CG-CZ 3.74Å; Y11-F321 HydrophobicContact CG-CZ 3.74Å; Y11-F321 AromaticContact CZ-CE1 3.56Å; P306-F321 HydrophobicContact CB-CZ 4.38Å; P306-F321 HydrophobicContact CG-CE1 4.17Å; P306-F321 HydrophobicContact CG-CZ 4.38Å; I311-F321 HydrophobicContact CB-CE2 4.39Å; I311-F321 HydrophobicContact CG1-CE2 4.16Å; I311-F321 HydrophobicContact CG1-CZ 4.29Å; L316-F321 HydrophobicContact CD2-CB 3.65Å; L316-F321 HydrophobicContact CD2-CD2 3.8Å; L316-F321 HydrophobicContact CD2-CG 3.76Å; P317-F321 WeakPolarHBondContact CB-O 3.39Å; S318-F321 PolarHBondContact N-O 2.9Å; S318-F321 VanDerWaalsContact O-O 3.08Å; S318-F321 WeakPolarHBondContact OG-CD2 3.43Å; S318-F321 PolarHBondContact OG-N 2.91Å; F321-S323 PolarHBondContact O-N 3.14Å; F321-M326 HydrophobicContact CB-CE 4.35Å; F321-M326 HydrophobicContact CD1-CE 3.5Å; F321-M326 HydrophobicContact CD1-SD 4.16Å; F321-M326 HydrophobicContact CD2-CE 4.28Å; F321-M326 HydrophobicContact CE1-CE 3.78Å; F321-M326 HydrophobicContact CE1-SD 4.19Å; F321-M326 HydrophobicContact CG-CE 3.78Å; F321-M326 HydrophobicContact CZ-CE 4.32Å
322	P	95.4	Very high	95.8	Very high	7 Å²	7	16.6 Å²	16.6	5%	0.045	10%	0.104	C	C	.	.	S	Bend	trans	-80.5	3.5	-171.5	33.7	-37.9	0	0	0	114.8	W33 R59 L62 I63	W33-P322 HydrophobicContact CH2-CG 3.77Å; W33-P322 HydrophobicContact CZ2-CG 3.89Å; R59-P322 HydrophobicContact CG-CB 4.31Å; R59-P322 PolarHBondContact NE-O 3.03Å; R59-P322 PolarHBondContact NH2-O 3.26Å; L62-P322 HydrophobicContact CB-CB 4.08Å; L62-P322 HydrophobicContact CB-CG 4.03Å; L62-P322 HydrophobicContact CD1-CB 4.3Å; I63-P322 HydrophobicContact CG1-CB 4Å; I63-P322 HydrophobicContact CG1-CG 3.67Å
323	S	96.8	Very high	95.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-135.9	155.4	-179.8	177.4	0	0	0	0	109.9	N34 P317 F321 H325	N34-S323 PolarHBondContact O-OG 3.44Å; P317-S323 WeakPolarHBondContact CA-O 3.38Å; F321-S323 PolarHBondContact O-N 3.14Å; S323-H325 PolarHBondContact OG-N 3.38Å; S323-H325 VanDerWaalsContact OG-N 3.11Å
324	D	96.4	Very high	95.7	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.011	6%	0.063	C	C	.	.	S	Bend	trans	-78.8	-1.4	169.7	62.7	-31	0	0	0	113.7	F46 T268 K270 R272 L316	F46-D324 HydrophobicContact CE1-CB 3.73Å; F46-D324 HydrophobicContact CZ-CB 3.86Å; T268-D324 WeakPolarHBondContact CB-O 2.97Å; T268-D324 PolarHBondContact OG1-O 3.08Å; K270-D324 HydrophobicContact CB-CB 4.34Å; K270-D324 HydrophobicContact CD-CB 4.38Å; K270-D324 WeakPolarHBondContact CD-OD2 3.31Å; K270-D324 IonicContact NZ-OD2 3.28Å; R272-D324 IonicContact CZ-OD2 3.4Å; R272-D324 IonicContact NH2-OD2 2.7Å; R272-D324 PolarHBondContact NH2-OD2 3.39Å; L316-D324 HydrophobicContact CB-CB 4.41Å; L316-D324 WeakPolarHBondContact CD1-O 3.12Å
325	H	98.3	Very high	95.1	Very high	6 Å²	6	13.8 Å²	13.8	3%	0.028	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-118.7	150.7	172.1	-66.1	-123	0	0	0	111.4	W33 N34 D225 D288 S323	W33-H325 PolarHBondContact NE1-O 3.29Å; N34-H325 HydrophobicContact CB-CB 3.96Å; D225-H325 IonicContact OD2-CE1 3.66Å; D225-H325 PolarHBondContact OD2-CE1 3.32Å; D225-H325 VanDerWaalsContact OD2-CE1 3.24Å; D225-H325 IonicContact OD2-NE2 2.96Å; D288-H325 IonicContact OD1-ND1 2.95Å; D288-H325 PolarHBondContact OD1-ND1 3.39Å; D288-H325 IonicContact OD2-CE1 2.7Å; D288-H325 IonicContact OD2-CG 2.81Å; D288-H325 IonicContact OD2-ND1 3.23Å; D288-H325 PolarHBondContact OD2-ND1 2.94Å; S323-H325 PolarHBondContact OG-N 3.38Å; S323-H325 VanDerWaalsContact OG-N 3.11Å
326	M	98.2	Very high	94	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.01	8%	0.079	C	C	.	.	P	Polyproline II helix	trans	-83.7	138.9	170.8	-71.8	-71.1	148	0	0	110.2	T267 I305 P306 I311 L316 F321	T267-M326 WeakPolarHBondContact O-CB 3.37Å; T267-M326 PolarHBondContact O-N 3.45Å; I305-M326 HydrophobicContact CG2-CB 3.99Å; I305-M326 HydrophobicContact CG2-CG 3.72Å; I305-M326 HydrophobicContact CG2-SD 4.49Å; P306-M326 HydrophobicContact CG-SD 4.05Å; I311-M326 HydrophobicContact CD1-CE 3.72Å; I311-M326 HydrophobicContact CG1-CE 3.91Å; L316-M326 HydrophobicContact CD1-CE 3.35Å; L316-M326 HydrophobicContact CD1-CG 4.05Å; L316-M326 HydrophobicContact CD2-CE 3.16Å; L316-M326 HydrophobicContact CG-CE 3.84Å; F321-M326 HydrophobicContact CB-CE 4.35Å; F321-M326 HydrophobicContact CD1-CE 3.5Å; F321-M326 HydrophobicContact CD1-SD 4.16Å; F321-M326 HydrophobicContact CD2-CE 4.28Å; F321-M326 HydrophobicContact CE1-CE 3.78Å; F321-M326 HydrophobicContact CE1-SD 4.19Å; F321-M326 HydrophobicContact CG-CE 3.78Å; F321-M326 HydrophobicContact CZ-CE 4.32Å
327	N	98.6	Very high	92.4	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.011	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-70.2	141.1	166	62.7	71.9	0	0	0	110.2	R13 M31 Q32 W33 E66 I329	R13-N327 VanDerWaalsContact CZ-OD1 3.29Å; R13-N327 PolarHBondContact NH1-O 2.94Å; R13-N327 PolarHBondContact NH1-OD1 3.32Å; R13-N327 VanDerWaalsContact NH2-CG 3.31Å; R13-N327 PolarHBondContact NH2-ND2 2.79Å; R13-N327 PolarHBondContact NH2-OD1 2.89Å; R13-N327 VanDerWaalsContact NH2-OD1 3.1Å; M31-N327 HydrophobicContact CE-CB 4.41Å; M31-N327 HydrophobicContact CG-CB 4.01Å; M31-N327 HydrophobicContact SD-CB 4.13Å; Q32-N327 CarbonylContact O-C 3.54Å; Q32-N327 WeakPolarHBondContact O-CA 3.43Å; W33-N327 HydrophobicContact CB-CB 3.81Å; W33-N327 HydrophobicContact CD2-CB 3.76Å; W33-N327 HydrophobicContact CE3-CB 4.18Å; W33-N327 HydrophobicContact CG-CB 3.59Å; E66-N327 WeakPolarHBondContact CG-ND2 3.35Å; E66-N327 PolarHBondContact OE1-ND2 3.48Å; N327-I329 WeakPolarHBondContact OD1-CD1 3.39Å; N327-I329 WeakPolarHBondContact OD1-CG1 2.84Å
328	L	98.9	Very high	90.3	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	142.3	168.9	-59.3	-170.8	0	0	0	108.9	M31 Q32 Y255 T267 D288 I290 I305	M31-L328 CarbonylContact C-O 3.54Å; M31-L328 WeakPolarHBondContact CA-O 3.09Å; Q32-L328 HydrophobicContact CB-CB 4.48Å; Q32-L328 PolarHBondContact N-O 2.9Å; Q32-L328 PolarHBondContact O-N 3.2Å; Q32-L328 VanDerWaalsContact OE1-CG 3.24Å; Y255-L328 HydrophobicContact CD1-CD2 4.33Å; Y255-L328 HydrophobicContact CD2-CB 4.3Å; Y255-L328 HydrophobicContact CD2-CD1 4.09Å; Y255-L328 HydrophobicContact CD2-CD2 4.45Å; Y255-L328 HydrophobicContact CE1-CD2 3.9Å; Y255-L328 HydrophobicContact CE2-CB 3.57Å; Y255-L328 HydrophobicContact CE2-CD1 4.17Å; Y255-L328 HydrophobicContact CE2-CD2 4.04Å; Y255-L328 HydrophobicContact CE2-CG 4.13Å; Y255-L328 WeakPolarHBondContact OH-CA 3.3Å; T267-L328 HydrophobicContact CG2-CD1 4.35Å; T267-L328 HydrophobicContact CG2-CD2 4.11Å; D288-L328 HydrophobicContact CB-CD1 4.01Å; D288-L328 HydrophobicContact CB-CG 4.44Å; D288-L328 WeakPolarHBondContact O-CD1 3.36Å; I290-L328 HydrophobicContact CD1-CB 3.79Å; I290-L328 HydrophobicContact CG1-CB 4.12Å; I305-L328 HydrophobicContact CD1-CD2 3.6Å; I305-L328 HydrophobicContact CG1-CD2 3.91Å
329	I	98.8	Very high	90.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	120.6	-177	-44	174.6	0	0	0	109	R29 I30 M31 Y70 Y255 V302 W303 N327	R29-I329 HydrophobicContact CG-CG2 3.7Å; I30-I329 WeakPolarHBondContact O-CA 3.06Å; M31-I329 HydrophobicContact CB-CG1 4.47Å; M31-I329 HydrophobicContact CE-CD1 3.48Å; M31-I329 VanDerWaalsContact CE-CD1 3.48Å; M31-I329 HydrophobicContact CE-CG1 3.77Å; M31-I329 HydrophobicContact CG-CG1 4.23Å; Y70-I329 HydrophobicContact CD1-CD1 3.65Å; Y70-I329 HydrophobicContact CD2-CD1 3.4Å; Y70-I329 VanDerWaalsContact CD2-CD1 3.4Å; Y70-I329 HydrophobicContact CE1-CD1 4.21Å; Y70-I329 HydrophobicContact CE2-CD1 3.99Å; Y70-I329 HydrophobicContact CG-CD1 3.22Å; Y255-I329 PolarHBondContact OH-N 2.73Å; Y255-I329 PolarHBondContact OH-O 3.47Å; V302-I329 VanDerWaalsContact CA-O 3.31Å; V302-I329 WeakPolarHBondContact CA-O 3.21Å; V302-I329 WeakPolarHBondContact CB-O 3.37Å; W303-I329 HydrophobicContact CB-CB 4.12Å; W303-I329 HydrophobicContact CB-CD1 4.36Å; W303-I329 HydrophobicContact CG-CB 4.25Å; W303-I329 HydrophobicContact CG-CD1 4.39Å; W303-I329 PolarHBondContact N-O 3.28Å; N327-I329 WeakPolarHBondContact OD1-CD1 3.39Å; N327-I329 WeakPolarHBondContact OD1-CG1 2.84Å
330	A	98.7	Very high	90.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.3	180	0	0	0	0	0	110.8	I30 A254 I290 L299 V302 F332	I30-A330 PolarHBondContact N-O 3.22Å; I30-A330 PolarHBondContact O-N 3.37Å; A254-A330 HydrophobicContact CB-CB 3.95Å; I290-A330 HydrophobicContact CD1-CB 4.05Å; I290-A330 HydrophobicContact CG2-CB 4.36Å; L299-A330 HydrophobicContact CD1-CB 4.03Å; V302-A330 HydrophobicContact CG1-CB 3.91Å; A330-F332 HydrophobicContact CB-CD2 4.37Å; A330-F332 HydrophobicContact CB-CE2 3.47Å; A330-F332 VanDerWaalsContact CB-CE2 3.47Å; A330-F332 HydrophobicContact CB-CZ 3.61Å
331	D	98.4	Very high	90	Very high	15 Å²	15	28.1 Å²	28.1	8%	0.08	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132	177.3	-73.2	-44.7	0	0	0	109.9	Y15 R29 L300 G301	Y15-D331 WeakPolarHBondContact CE2-OD2 3.39Å; Y15-D331 PolarHBondContact OH-OD2 2.99Å; R29-D331 WeakPolarHBondContact CB-OD1 3.33Å; R29-D331 VanDerWaalsContact CG-OD1 3.27Å; R29-D331 WeakPolarHBondContact CG-OD1 3.39Å; R29-D331 IonicContact CZ-OD1 3.81Å; R29-D331 IonicContact CZ-OD2 3.61Å; R29-D331 IonicContact NE-OD1 3.59Å; R29-D331 PolarHBondContact NE-OD1 2.9Å; R29-D331 IonicContact NE-OD2 3.4Å; R29-D331 PolarHBondContact NE-OD2 3.05Å; R29-D331 IonicContact NH2-OD1 2.98Å; R29-D331 PolarHBondContact NH2-OD1 2.78Å; R29-D331 IonicContact NH2-OD2 2.69Å; R29-D331 PolarHBondContact NH2-OD2 3.13Å; L300-D331 HydrophobicContact CB-CB 4.19Å; L300-D331 WeakPolarHBondContact CB-O 3.31Å; L300-D331 PolarHBondContact N-O 3.31Å; G301-D331 PolarHBondContact O-N 2.85Å
332	F	96.4	Very high	89.7	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.3	-177.8	-57.9	-86.7	0	0	0	112.1	K27 I28 I30 F221 A254 I290 Y292 C297 T298 L299 A330	K27-F332 WeakPolarHBondContact CA-O 3.34Å; I28-F332 HydrophobicContact CG2-CB 3.83Å; I28-F332 HydrophobicContact CG2-CD2 4.46Å; I28-F332 PolarHBondContact N-O 2.95Å; I28-F332 PolarHBondContact O-N 3.19Å; I30-F332 HydrophobicContact CB-CE2 4.32Å; I30-F332 HydrophobicContact CD1-CD2 4.14Å; I30-F332 HydrophobicContact CD1-CE2 4.06Å; I30-F332 HydrophobicContact CG1-CD2 4.34Å; I30-F332 HydrophobicContact CG1-CE2 4.35Å; F221-F332 HydrophobicContact CD1-CE2 4.2Å; F221-F332 HydrophobicContact CD1-CZ 4.31Å; F221-F332 HydrophobicContact CE1-CB 4.43Å; F221-F332 AromaticContact CE1-CD1 3.96Å; F221-F332 HydrophobicContact CE1-CD1 3.96Å; F221-F332 AromaticContact CE1-CD2 3.61Å; F221-F332 HydrophobicContact CE1-CD2 3.61Å; F221-F332 HydrophobicContact CE1-CE1 4.03Å; F221-F332 AromaticContact CE1-CE2 3.69Å; F221-F332 HydrophobicContact CE1-CE2 3.69Å; F221-F332 AromaticContact CE1-CG 3.74Å; F221-F332 HydrophobicContact CE1-CG 3.74Å; F221-F332 AromaticContact CE1-CZ 3.9Å; F221-F332 HydrophobicContact CE1-CZ 3.9Å; F221-F332 HydrophobicContact CZ-CB 4.3Å; F221-F332 HydrophobicContact CZ-CD2 4.11Å; F221-F332 HydrophobicContact CZ-CG 4.1Å; A254-F332 HydrophobicContact CB-CE1 4.48Å; A254-F332 HydrophobicContact CB-CZ 4.06Å; I290-F332 HydrophobicContact CG2-CE2 4.14Å; I290-F332 HydrophobicContact CG2-CZ 3.93Å; Y292-F332 AromaticContact CD1-CE1 3.65Å; Y292-F332 HydrophobicContact CD1-CE1 3.65Å; Y292-F332 HydrophobicContact CD1-CZ 4.18Å; Y292-F332 HydrophobicContact CD2-CD1 4.29Å; Y292-F332 AromaticContact CD2-CE1 3.91Å; Y292-F332 HydrophobicContact CD2-CE1 3.91Å; Y292-F332 HydrophobicContact CE1-CE1 4.21Å; Y292-F332 HydrophobicContact CE2-CE1 4.42Å; Y292-F332 HydrophobicContact CG-CD1 4.27Å; Y292-F332 AromaticContact CG-CE1 3.5Å; Y292-F332 HydrophobicContact CG-CE1 3.5Å; Y292-F332 VanDerWaalsContact CG-CE1 3.5Å; Y292-F332 HydrophobicContact CG-CZ 4.22Å; C297-F332 VanDerWaalsContact SG-CB 3.59Å; C297-F332 WeakPolarHBondContact SG-CD1 3.3Å; T298-F332 CarbonylContact O-C 3.52Å; T298-F332 VanDerWaalsContact O-CA 3.25Å; T298-F332 WeakPolarHBondContact O-CA 3.06Å; L299-F332 HydrophobicContact CB-CD1 4.23Å; L299-F332 HydrophobicContact CB-CE1 4.16Å; L299-F332 HydrophobicContact CD1-CD1 3.93Å; L299-F332 HydrophobicContact CD1-CE1 3.47Å; L299-F332 VanDerWaalsContact CD1-CE1 3.47Å; L299-F332 HydrophobicContact CD1-CZ 3.89Å; L299-F332 HydrophobicContact CG-CE1 4.41Å; A330-F332 HydrophobicContact CB-CD2 4.37Å; A330-F332 HydrophobicContact CB-CE2 3.47Å; A330-F332 VanDerWaalsContact CB-CE2 3.47Å; A330-F332 HydrophobicContact CB-CZ 3.61Å
333	S	93.7	Very high	89.3	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.007	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.1	168.7	-152.3	0	0	0	0	108.8	S21 D25 C297 T298	S21-S333 WeakPolarHBondContact CB-OG 3.37Å; D25-S333 WeakPolarHBondContact CB-OG 3.32Å; D25-S333 PolarHBondContact OD2-OG 3.29Å; C297-S333 WeakPolarHBondContact CA-O 3.22Å; T298-S333 PolarHBondContact N-O 2.7Å; T298-S333 PolarHBondContact O-N 2.82Å
334	L	89.4	Confident	88.8	Confident	5 Å²	5	32.7 Å²	32.7	3%	0.026	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.9	177.5	-54.5	-175.7	0	0	0	109	L26 I28 I170 P219 F221 C297 L336	L26-L334 HydrophobicContact CB-CB 4.29Å; L26-L334 HydrophobicContact CD2-CD1 4.24Å; L26-L334 PolarHBondContact N-O 2.99Å; L26-L334 PolarHBondContact O-N 3.15Å; I28-L334 HydrophobicContact CG2-CD1 3.84Å; I28-L334 HydrophobicContact CG2-CD2 4.42Å; I28-L334 HydrophobicContact CG2-CG 3.98Å; I170-L334 HydrophobicContact CD1-CD1 3.64Å; I170-L334 HydrophobicContact CG1-CD1 3.68Å; P219-L334 HydrophobicContact CB-CD1 4.46Å; P219-L334 HydrophobicContact CB-CD2 3.89Å; P219-L334 HydrophobicContact CG-CD1 4.2Å; P219-L334 HydrophobicContact CG-CD2 3.73Å; P219-L334 HydrophobicContact CG-CG 4.42Å; F221-L334 HydrophobicContact CE2-CD2 4.49Å; F221-L334 HydrophobicContact CZ-CD2 4.08Å; C297-L334 HydrophobicContact CB-CD2 3.82Å; L334-L336 PolarHBondContact O-N 3.45Å
335	R	81.6	Confident	88.3	Confident	140 Å²	140	34.9 Å²	34.9	53%	0.528	16%	0.16	S	C	.	.			trans	-68	116.4	175.7	-71	-176.2	179.2	167.7	3.1	109.6	L296 C337	L296-R335 PolarHBondContact O-N 3.07Å; R335-C337 PolarHBondContact O-N 2.92Å
336	L	70.8	Confident	87.5	Confident	41 Å²	41	37.1 Å²	37.1	22%	0.215	17%	0.17	C	C	.	.			trans	-76.6	121	175	-65.1	-179.4	0	0	0	109.8	L26 V160 L334 K338	L26-L336 HydrophobicContact CB-CD1 4.2Å; L26-L336 HydrophobicContact CB-CD2 3.74Å; L26-L336 HydrophobicContact CB-CG 3.98Å; L26-L336 HydrophobicContact CD2-CD2 4.32Å; V160-L336 HydrophobicContact CG2-CD1 4.26Å; V160-L336 HydrophobicContact CG2-CD2 3.53Å; L334-L336 PolarHBondContact O-N 3.45Å; L336-K338 PolarHBondContact O-N 3.45Å; L336-K338 VanDerWaalsContact O-N 3.17Å
337	C	62.9	Low	86.6	Confident	53 Å²	53	40 Å²	40	36%	0.358	18%	0.183	S	C	.	.			trans	-75.4	98.1	162.3	-65.8	0	0	0	0	107.9	C167 R335	C167-C337 HydrophobicContact CB-CB 3.51Å; C167-C337 WeakPolarHBondContact CB-SG 3.47Å; C167-C337 WeakPolarHBondContact SG-CB 3.16Å; C167-C337 CovalentContact SG-SG 2.05Å; C167-C337 PolarHBondContact SG-SG 3.26Å; R335-C337 PolarHBondContact O-N 2.92Å
338	K	51	Low	85.5	Confident	222 Å²	222	43.5 Å²	43.5	97%	0.965	20%	0.199	S	C	*	.			trans	-77.5	0	172.2	-71.8	-174.2	-179.2	177.2	0	111.8	L336	L336-K338 PolarHBondContact O-N 3.45Å; L336-K338 VanDerWaalsContact O-N 3.17Å

Retrieved 338 of 338 residues in 147.9 ms (Link to these results)

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