A0A060X321_ONCMY Loading...

Protein phosphatase

AlphaFold DB (A0A4W5R5P6), UniProt , Accession A0A060X321, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 297 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	39.4	Very low	37.3	Very low	235 Å²	235	146.9 Å²	146.9	100%	1.158	77%	0.766	S	S	*	*				0	79.5	0	-61.1	-178.8	-153	0	0	106.9
2	F	36.7	Very low	37.1	Very low	207 Å²	207	139.7 Å²	139.7	91%	0.908	74%	0.743	S	S	*	*				23.1	104.6	72.7	-79.3	-74	0	0	0	112.6
3	S	35.3	Very low	37	Very low	104 Å²	104	146.2 Å²	146.2	73%	0.727	75%	0.751	S	S	*	*			trans	-160.1	98.3	143.9	-160.5	0	0	0	0	113.8	L5	S3-L5 PolarHBondContact O-N 3.06Å
4	V	39.8	Very low	36.9	Very low	122 Å²	122	140.9 Å²	140.9	74%	0.739	74%	0.74	S	S	*	*	S	Bend		78.5	-26.4	126.1	-177.1	0	0	0	0	120.9
5	L	40	Very low	36.8	Very low	168 Å²	168	139.3 Å²	139.3	88%	0.88	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-14.4	-169.6	-82.7	157.3	0	0	0	116.9	S3	S3-L5 PolarHBondContact O-N 3.06Å
6	S	36.8	Very low	37	Very low	99 Å²	99	139.7 Å²	139.7	69%	0.692	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-15.3	-177.8	-174.6	0	0	0	0	114.8
7	Y	37	Very low	36.7	Very low	183 Å²	183	134.4 Å²	134.4	72%	0.718	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-11.5	-178.3	-88	-88.9	0	0	0	113.5	R9 V11	Y7-R9 PolarHBondContact O-N 3.41Å; Y7-V11 WeakPolarHBondContact O-CG2 3.48Å
8	G	35	Very low	36.5	Very low	52 Å²	52	130.9 Å²	130.9	54%	0.536	73%	0.727	S	S	.	*	H	α-helix	trans	-74.7	-15.7	-178.4	0	0	0	0	0	115.6
9	R	37.9	Very low	36.8	Very low	229 Å²	229	131.6 Å²	131.6	86%	0.864	73%	0.728	S	S	*	*	H	α-helix	trans	-99.5	-15.7	179.2	-86.6	-175.5	172.3	-179.5	-2	114.9	Y7	Y7-R9 PolarHBondContact O-N 3.41Å
10	L	34.8	Very low	37	Very low	135 Å²	135	129.4 Å²	129.4	71%	0.707	72%	0.722	S	S	*	*	H	α-helix	trans	-91	-28.2	175.1	-102.4	135.6	0	0	0	112.3
11	V	37.4	Very low	37.1	Very low	82 Å²	82	132.2 Å²	132.2	50%	0.497	73%	0.729	S	S	.	*	H	α-helix	trans	-80.9	-28.6	176.8	-177.3	0	0	0	0	112.2	Y7 R13 A14 V15	Y7-V11 WeakPolarHBondContact O-CG2 3.48Å; V11-R13 PolarHBondContact O-N 3.15Å; V11-A14 PolarHBondContact O-N 3.25Å; V11-A14 VanDerWaalsContact O-N 3.15Å; V11-V15 HydrophobicContact CG1-CG2 4.16Å; V11-V15 PolarHBondContact O-N 3.26Å
12	A	34.9	Very low	37.4	Very low	60 Å²	60	126.2 Å²	126.2	50%	0.496	71%	0.706	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.2	-17.3	174.3	0	0	0	0	0	113.7
13	R	35.3	Very low	38.1	Very low	224 Å²	224	118.7 Å²	118.7	85%	0.845	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-13.1	172.9	-102.6	-178.1	165	174.2	-4.7	114	V11	V11-R13 PolarHBondContact O-N 3.15Å
14	A	36.4	Very low	39.1	Very low	72 Å²	72	119.4 Å²	119.4	60%	0.595	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-20.6	179.4	0	0	0	0	0	113.2	V11 G17	V11-A14 PolarHBondContact O-N 3.25Å; V11-A14 VanDerWaalsContact O-N 3.15Å; A14-G17 PolarHBondContact O-N 3.42Å
15	V	35.3	Very low	40.6	Very low	117 Å²	117	118.6 Å²	118.6	71%	0.709	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-12	179.4	-177.9	0	0	0	0	113	V11	V11-V15 HydrophobicContact CG1-CG2 4.16Å; V11-V15 PolarHBondContact O-N 3.26Å
16	I	39.3	Very low	42.7	Very low	146 Å²	146	114.1 Å²	114.1	75%	0.749	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	6.2	165.9	-48	175.1	0	0	0	110.3	G18	I16-G18 PolarHBondContact O-N 2.92Å
17	G	32.6	Very low	45.4	Very low	49 Å²	49	110.4 Å²	110.4	51%	0.505	61%	0.612	S	S	.	*			trans	-82.1	14.6	175	0	0	0	0	0	114.3	A14 L19	A14-G17 PolarHBondContact O-N 3.42Å; G17-L19 PolarHBondContact O-N 3.33Å
18	G	33.4	Very low	48.2	Very low	73 Å²	73	102 Å²	102	75%	0.753	58%	0.58	S	S	*	*			trans	-72.8	53.4	156.6	0	0	0	0	0	109.8	I16 S20	I16-G18 PolarHBondContact O-N 2.92Å; G18-S20 PolarHBondContact O-N 2.96Å
19	L	41.2	Very low	51.1	Low	144 Å²	144	99.6 Å²	99.6	75%	0.754	56%	0.555	S	S	*	*			trans	-61	99.7	161.9	-78.5	156.5	0	0	0	104.6	G17 Q21	G17-L19 PolarHBondContact O-N 3.33Å; L19-Q21 VanDerWaalsContact C-N 3.26Å; L19-Q21 PolarHBondContact O-N 2.91Å
20	S	42.2	Very low	53.8	Low	86 Å²	86	90.6 Å²	90.6	60%	0.601	53%	0.525	S	S	*	.			trans	-40	111.1	137.1	171.2	0	0	0	0	104.7	G18 T22	G18-S20 PolarHBondContact O-N 2.96Å; S20-T22 PolarHBondContact O-N 2.95Å
21	Q	37.9	Very low	56.8	Low	189 Å²	189	85 Å²	85	88%	0.883	50%	0.497	S	S	*	.			trans	-59.8	85.8	161	-82.8	-179.8	-19.5	0	0	104.3	L19 D23	L19-Q21 VanDerWaalsContact C-N 3.26Å; L19-Q21 PolarHBondContact O-N 2.91Å; Q21-D23 VanDerWaalsContact C-N 3.28Å; Q21-D23 PolarHBondContact O-N 2.7Å
22	T	45.8	Very low	59.6	Low	109 Å²	109	81.1 Å²	81.1	67%	0.669	47%	0.473	S	S	*	.			trans	-60.7	105.8	163.1	49.2	0	0	0	0	103	S20 S24	S20-T22 PolarHBondContact O-N 2.95Å; T22-S24 PolarHBondContact O-N 2.87Å
23	D	51.6	Low	62.5	Low	50 Å²	50	79.3 Å²	79.3	27%	0.267	46%	0.457	S	S	.	.			trans	-46.2	107.9	173.5	-167	6.4	0	0	0	106.3	Q21 R25 Y27 H142	Q21-D23 VanDerWaalsContact C-N 3.28Å; Q21-D23 PolarHBondContact O-N 2.7Å; D23-R25 PolarHBondContact O-N 3.4Å; D23-R25 IonicContact OD1-CZ 2.82Å; D23-R25 VanDerWaalsContact OD1-CZ 3.26Å; D23-R25 IonicContact OD1-NE 3.33Å; D23-R25 PolarHBondContact OD1-NE 3.41Å; D23-R25 IonicContact OD1-NH2 3.48Å; D23-R25 PolarHBondContact OD1-NH2 3.31Å; D23-R25 IonicContact OD2-CZ 3.95Å; D23-R25 IonicContact OD2-NE 3.82Å; D23-R25 IonicContact OD2-NH2 3.01Å; D23-R25 PolarHBondContact OD2-NH2 2.87Å; D23-R25 VanDerWaalsContact OD2-NH2 3.14Å; D23-Y27 PolarHBondContact OD2-OH 3.04Å; D23-H142 PolarHBondContact O-CE1 3.19Å
24	S	56.5	Low	65.3	Low	118 Å²	118	69.2 Å²	69.2	83%	0.825	42%	0.42	S	S	*	.			trans	-77.5	15.4	-168.9	69.1	0	0	0	0	112.1	T22	T22-S24 PolarHBondContact O-N 2.87Å
25	R	70.8	Confident	68	Low	106 Å²	106	66.3 Å²	66.3	40%	0.4	40%	0.397	S	S	.	.	S	Bend	trans	-104.4	110.9	-176.1	-70	177.1	-72.9	175.7	3.4	106.6	D23 Y27 H142 E294	D23-R25 PolarHBondContact O-N 3.4Å; D23-R25 IonicContact OD1-CZ 2.82Å; D23-R25 VanDerWaalsContact OD1-CZ 3.26Å; D23-R25 IonicContact OD1-NE 3.33Å; D23-R25 PolarHBondContact OD1-NE 3.41Å; D23-R25 IonicContact OD1-NH2 3.48Å; D23-R25 PolarHBondContact OD1-NH2 3.31Å; D23-R25 IonicContact OD2-CZ 3.95Å; D23-R25 IonicContact OD2-NE 3.82Å; D23-R25 IonicContact OD2-NH2 3.01Å; D23-R25 PolarHBondContact OD2-NH2 2.87Å; D23-R25 VanDerWaalsContact OD2-NH2 3.14Å; R25-Y27 WeakPolarHBondContact O-CD1 3.44Å; R25-Y27 PolarHBondContact O-N 3.07Å; R25-H142 PolarHBondContact O-CE1 3.31Å; R25-H142 VanDerWaalsContact O-CE1 3.31Å; R25-H142 PolarHBondContact O-NE2 3.29Å; R25-E294 WeakPolarHBondContact CD-OE1 3.14Å; R25-E294 IonicContact CZ-OE1 3.72Å; R25-E294 IonicContact NE-OE1 3.53Å; R25-E294 IonicContact NH1-OE1 3.99Å; R25-E294 PolarHBondContact NH1-OE1 2.97Å
26	D	85.7	Confident	70.6	Confident	74 Å²	74	62.5 Å²	62.5	40%	0.396	37%	0.371	S	S	.	.			trans	-58.7	137.9	170.6	-76	-5.9	0	0	0	108.8	Y295	D26-Y295 HydrophobicContact CB-CD1 4.38Å; D26-Y295 HydrophobicContact CB-CG 4.33Å; D26-Y295 WeakPolarHBondContact O-CB 3.45Å; D26-Y295 PolarHBondContact O-N 2.76Å
27	Y	92.9	Very high	72.9	Confident	20 Å²	20	56.5 Å²	56.5	8%	0.078	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	158.7	174.1	-72.6	9.8	0	0	0	110.2	D23 R25 R139 H142 V205 L207 V292 A293	D23-Y27 PolarHBondContact OD2-OH 3.04Å; R25-Y27 WeakPolarHBondContact O-CD1 3.44Å; R25-Y27 PolarHBondContact O-N 3.07Å; Y27-R139 WeakPolarHBondContact O-CB 3.32Å; Y27-R139 WeakPolarHBondContact O-CD 3.49Å; Y27-R139 WeakPolarHBondContact O-CG 3.2Å; Y27-H142 AromaticContact CD1-NE2 3.99Å; Y27-H142 HydrophobicContact CD2-CB 3.98Å; Y27-H142 AromaticContact CD2-CG 3.98Å; Y27-H142 AromaticContact CE1-CE1 3.82Å; Y27-H142 AromaticContact CE1-ND1 3.86Å; Y27-H142 HydrophobicContact CE2-CB 3.99Å; Y27-H142 AromaticContact CG-CD2 3.98Å; Y27-H142 AromaticContact CZ-ND1 3.78Å; Y27-V205 HydrophobicContact CD2-CG2 4Å; Y27-V205 HydrophobicContact CE2-CG2 4.43Å; Y27-L207 HydrophobicContact CD1-CD2 3.91Å; Y27-L207 HydrophobicContact CD1-CG 4.47Å; Y27-L207 HydrophobicContact CE1-CD1 4.35Å; Y27-L207 HydrophobicContact CE1-CD2 3.8Å; Y27-L207 HydrophobicContact CE1-CG 3.86Å; Y27-L207 HydrophobicContact CE2-CD2 4.47Å; Y27-L207 HydrophobicContact CE2-CG 4.38Å; Y27-L207 HydrophobicContact CG-CD2 4.33Å; Y27-V292 HydrophobicContact CD2-CG1 3.51Å; Y27-V292 HydrophobicContact CE2-CG1 4.17Å; Y27-V292 HydrophobicContact CG-CG1 4.04Å; Y27-A293 CarbonylContact C-O 3.55Å
28	S	94.4	Very high	75.2	Confident	6 Å²	6	58 Å²	58	4%	0.042	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	161.2	172.4	72.6	0	0	0	0	111.9	D65 A293	S28-D65 VanDerWaalsContact CA-OD2 3.3Å; S28-D65 WeakPolarHBondContact CA-OD2 3.27Å; S28-A293 PolarHBondContact N-O 3.48Å; S28-A293 PolarHBondContact O-N 2.83Å
29	L	96.2	Very high	77.1	Confident	3 Å²	3	59 Å²	59	2%	0.016	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.1	173	-60.5	-177.9	0	0	0	111.1	R60 D65 L67 L137 I211 I291 V292	L29-R60 PolarHBondContact O-NH2 2.98Å; L29-D65 HydrophobicContact CB-CB 4.02Å; L29-D65 HydrophobicContact CD1-CB 3.92Å; L29-D65 HydrophobicContact CG-CB 3.93Å; L29-D65 PolarHBondContact N-OD2 3.25Å; L29-L67 HydrophobicContact CD1-CD2 3.46Å; L29-L67 VanDerWaalsContact CD1-CD2 3.46Å; L29-L137 HydrophobicContact CD1-CB 3.96Å; L29-L137 HydrophobicContact CD2-CB 4.39Å; L29-L137 HydrophobicContact CD2-CD2 3.72Å; L29-L137 HydrophobicContact CG-CB 4Å; L29-L137 HydrophobicContact CG-CD2 3.66Å; L29-L137 HydrophobicContact CG-CG 4.46Å; L29-I211 HydrophobicContact CD2-CD1 3.74Å; L29-I291 WeakPolarHBondContact CA-O 3.49Å; L29-V292 HydrophobicContact CD2-CG2 3.9Å
30	V	96.1	Very high	77.7	Confident	40 Å²	40	59.2 Å²	59.2	24%	0.242	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	107.2	158.9	-172.2	0	0	0	0	106.7	I242 S290 I291 A293	V30-I242 HydrophobicContact CB-CD1 3.77Å; V30-I242 HydrophobicContact CG1-CD1 3.51Å; V30-S290 WeakPolarHBondContact O-CA 3.29Å; V30-I291 PolarHBondContact N-O 3.4Å; V30-I291 PolarHBondContact O-N 2.88Å; V30-A293 HydrophobicContact CG2-CB 4.1Å
31	T	96.4	Very high	77.7	Confident	18 Å²	18	66.3 Å²	66.3	11%	0.11	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.7	-172.2	-53.2	0	0	0	0	111.2	I58 Y239 L288 L289 S290	T31-I58 HydrophobicContact CG2-CD1 3.47Å; T31-I58 VanDerWaalsContact CG2-CD1 3.47Å; T31-I58 HydrophobicContact CG2-CG1 3.87Å; T31-Y239 VanDerWaalsContact O-CE2 3.32Å; T31-Y239 WeakPolarHBondContact O-CE2 3.33Å; T31-L288 HydrophobicContact CG2-CB 4.4Å; T31-L289 CarbonylContact C-O 3.41Å; T31-L289 VanDerWaalsContact CA-O 3.32Å; T31-L289 WeakPolarHBondContact CA-O 3.32Å; T31-S290 WeakPolarHBondContact CB-OG 3.23Å; T31-S290 WeakPolarHBondContact CG2-OG 3.39Å; T31-S290 WeakPolarHBondContact OG1-CB 3.38Å; T31-S290 PolarHBondContact OG1-OG 2.77Å
32	A	96.2	Very high	78	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	155.3	166.1	0	0	0	0	0	110.4	Y239 I242 Q243 L288 L289	A32-Y239 HydrophobicContact CB-CD2 4.42Å; A32-Y239 HydrophobicContact CB-CE2 3.91Å; A32-I242 HydrophobicContact CB-CB 4.32Å; A32-I242 HydrophobicContact CB-CG2 3.78Å; A32-Q243 HydrophobicContact CB-CB 3.83Å; A32-L288 WeakPolarHBondContact O-CA 3.42Å; A32-L289 PolarHBondContact N-O 3.25Å; A32-L289 PolarHBondContact O-N 3.14Å
33	S	95.6	Very high	77.6	Confident	21 Å²	21	63.7 Å²	63.7	15%	0.147	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.8	177.1	72.9	0	0	0	0	111.7	Y51 Q243 V287	S33-Y51 PolarHBondContact OG-OH 3.01Å; S33-Q243 PolarHBondContact O-NE2 3.35Å; S33-Q243 PolarHBondContact O-OE1 3.07Å; S33-V287 CarbonylContact C-O 3.59Å; S33-V287 VanDerWaalsContact CA-O 3.27Å; S33-V287 WeakPolarHBondContact CA-O 3.39Å
34	C	95.7	Very high	76.9	Confident	12 Å²	12	68.2 Å²	68.2	8%	0.081	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	148.4	168	-166.6	0	0	0	0	109.3	A246 R247 A250 V287	C34-A246 HydrophobicContact CB-CB 4.34Å; C34-R247 HydrophobicContact CB-CB 4.48Å; C34-A250 HydrophobicContact CB-CB 4.31Å; C34-V287 PolarHBondContact N-O 2.99Å; C34-V287 PolarHBondContact O-N 3.26Å
35	G	92.6	Very high	76.2	Confident	11 Å²	11	70.9 Å²	70.9	11%	0.113	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	164.3	174.1	0	0	0	0	0	112.9	Y51 I285	G35-Y51 VanDerWaalsContact C-CD1 3.41Å; G35-Y51 VanDerWaalsContact O-CD1 3.31Å; G35-Y51 WeakPolarHBondContact O-CD1 3.3Å; G35-I285 CarbonylContact C-O 3.6Å; G35-I285 WeakPolarHBondContact CA-O 3.24Å
36	F	89.5	Confident	75.1	Confident	38 Å²	38	69.8 Å²	69.8	17%	0.167	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	136.4	-176.9	-58.4	-75.9	0	0	0	109	F40 A250 E251 H254 I285	F36-F40 HydrophobicContact CD1-CE2 4.09Å; F36-A250 HydrophobicContact CD2-CB 3.84Å; F36-A250 VanDerWaalsContact CE2-C 3.49Å; F36-A250 HydrophobicContact CE2-CB 3.48Å; F36-A250 VanDerWaalsContact CE2-CB 3.48Å; F36-E251 HydrophobicContact CE2-CG 3.87Å; F36-E251 HydrophobicContact CZ-CG 3.55Å; F36-H254 HydrophobicContact CD2-CB 4.4Å; F36-I285 PolarHBondContact N-O 3.5Å; F36-I285 PolarHBondContact O-N 3.03Å
37	G	87.1	Confident	73.3	Confident	20 Å²	20	76.3 Å²	76.3	21%	0.206	38%	0.382	C	S	.	.			trans	-81.3	148.9	168.8	0	0	0	0	0	111.3	D39 D284	G37-D39 PolarHBondContact O-N 3Å; G37-D284 WeakPolarHBondContact CA-OD1 3.12Å
38	K	81.6	Confident	71.8	Confident	80 Å²	80	78 Å²	78	35%	0.348	41%	0.405	S	S	.	.	S	Bend	trans	-54.2	-37.5	175	-173.1	174.1	73.4	-165.5	0	112.5	Y258 P282 D284	K38-Y258 PolarHBondContact O-OH 3.04Å; K38-P282 HydrophobicContact CD-CB 4.23Å; K38-P282 WeakPolarHBondContact CD-O 3.37Å; K38-P282 HydrophobicContact CG-CB 4.24Å; K38-D284 PolarHBondContact N-OD1 3.16Å
39	D	72.3	Confident	71.3	Confident	93 Å²	93	80 Å²	80	50%	0.497	42%	0.415	S	S	.	.			trans	-101.8	83.6	178.5	-81.9	-30.3	0	0	0	111.8	G37 R41 K42	G37-D39 PolarHBondContact O-N 3Å; D39-R41 PolarHBondContact O-N 2.69Å; D39-K42 PolarHBondContact O-N 3.16Å; D39-K42 VanDerWaalsContact O-N 3.14Å
40	F	54.5	Low	71	Confident	150 Å²	150	81 Å²	81	66%	0.658	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-22.1	174.1	-134.8	-85.8	0	0	0	113.4	F36	F36-F40 HydrophobicContact CD1-CE2 4.09Å
41	R	43.1	Very low	70.8	Confident	234 Å²	234	81.2 Å²	81.2	88%	0.883	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-14.8	-175.7	-72.9	-175.2	-81.2	-168	-5.7	115	D39	D39-R41 PolarHBondContact O-N 2.69Å
42	K	44.2	Very low	70.6	Confident	170 Å²	170	81.7 Å²	81.7	74%	0.739	43%	0.427	S	S	*	.	S	Bend	trans	-104.8	60.9	173.9	-74.4	179.6	-177.6	170.5	0	109.6	D39 I44	D39-K42 PolarHBondContact O-N 3.16Å; D39-K42 VanDerWaalsContact O-N 3.14Å; K42-I44 PolarHBondContact O-N 3.34Å
43	G	36.6	Very low	70.5	Confident	73 Å²	73	82.2 Å²	82.2	75%	0.753	43%	0.43	S	S	*	.			trans	-64.7	73.9	173.4	0	0	0	0	0	112.2
44	I	37.5	Very low	70.6	Confident	146 Å²	146	81.2 Å²	81.2	75%	0.749	42%	0.423	S	S	*	.			trans	-96.4	103.8	143.5	-58.2	178	0	0	0	103.6	K42 K46	K42-I44 PolarHBondContact O-N 3.34Å; I44-K46 PolarHBondContact O-N 3.42Å
45	L	41.1	Very low	70.7	Confident	173 Å²	173	80.7 Å²	80.7	91%	0.906	42%	0.419	S	S	*	.			trans	-53.1	94.9	161.2	-81.2	155.8	0	0	0	106.4	K47	L45-K47 PolarHBondContact O-N 2.94Å; L45-K47 VanDerWaalsContact O-N 3.11Å
46	K	48.4	Very low	71	Confident	83 Å²	83	80.5 Å²	80.5	36%	0.361	42%	0.416	S	S	.	.			trans	-62.3	118.9	171.2	-79.4	-178.2	-175.4	167.6	0	105.3	I44 G48 G52 S84	I44-K46 PolarHBondContact O-N 3.42Å; K46-G48 PolarHBondContact O-N 3.32Å; K46-G48 VanDerWaalsContact O-N 3.13Å; K46-G52 PolarHBondContact NZ-O 3.09Å; K46-G52 VanDerWaalsContact NZ-O 3.12Å; K46-S84 PolarHBondContact NZ-OG 3.29Å
47	K	47.2	Very low	71.4	Confident	211 Å²	211	78.7 Å²	78.7	92%	0.917	41%	0.408	S	S	*	.	S	Bend	trans	-65.1	113.8	-179.1	-165.1	178.9	-176.7	-178.5	0	107.9	L45	L45-K47 PolarHBondContact O-N 2.94Å; L45-K47 VanDerWaalsContact O-N 3.11Å
48	G	62.1	Low	71.9	Confident	56 Å²	56	80.5 Å²	80.5	58%	0.577	41%	0.412	S	S	*	.	S	Bend	trans	128.1	-166.5	178	0	0	0	0	0	113.4	K46 C50	K46-G48 PolarHBondContact O-N 3.32Å; K46-G48 VanDerWaalsContact O-N 3.13Å; G48-C50 VanDerWaalsContact C-N 3.27Å; G48-C50 PolarHBondContact O-N 3.17Å
49	M	84.1	Confident	72.7	Confident	48 Å²	48	76.8 Å²	76.8	24%	0.236	40%	0.397	C	S	.	.	S	Bend	trans	-87.9	55.3	-179.4	-68.2	-172.9	68.6	0	0	111.2	A55 C56 I58 L288	M49-A55 CarbonylContact O-C 3.35Å; M49-A55 WeakPolarHBondContact O-CA 3.41Å; M49-C56 WeakPolarHBondContact CB-O 3.24Å; M49-C56 HydrophobicContact CE-CB 4.26Å; M49-C56 WeakPolarHBondContact CE-SG 3.43Å; M49-C56 PolarHBondContact O-N 2.83Å; M49-I58 HydrophobicContact CE-CD1 3.78Å; M49-I58 HydrophobicContact CE-CG1 3.78Å; M49-L288 HydrophobicContact CE-CD2 4.01Å
50	C	89.4	Confident	73.8	Confident	24 Å²	24	78.6 Å²	78.6	16%	0.162	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.2	178.5	-55.1	0	0	0	0	110.4	G48 D54	G48-C50 VanDerWaalsContact C-N 3.27Å; G48-C50 PolarHBondContact O-N 3.17Å; C50-D54 CarbonylContact C-O 3.54Å; C50-D54 VanDerWaalsContact CA-O 3.28Å; C50-D54 WeakPolarHBondContact CA-O 3.34Å
51	Y	91	Very high	75.7	Confident	45 Å²	45	73.5 Å²	73.5	18%	0.176	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	90.4	-172.7	-54.4	-74.7	0	0	0	109.3	S33 G35 D53 D54 D284 T286	S33-Y51 PolarHBondContact OG-OH 3.01Å; G35-Y51 VanDerWaalsContact C-CD1 3.41Å; G35-Y51 VanDerWaalsContact O-CD1 3.31Å; G35-Y51 WeakPolarHBondContact O-CD1 3.3Å; Y51-D53 PolarHBondContact O-N 3.3Å; Y51-D54 PolarHBondContact N-O 2.89Å; Y51-D54 WeakPolarHBondContact O-CB 3.4Å; Y51-D54 PolarHBondContact O-N 3.01Å; Y51-D284 WeakPolarHBondContact O-CB 3.3Å; Y51-T286 HydrophobicContact CD2-CG2 3.79Å; Y51-T286 VanDerWaalsContact CD2-OG1 3.32Å; Y51-T286 WeakPolarHBondContact CD2-OG1 3.44Å; Y51-T286 HydrophobicContact CE2-CG2 3.97Å
52	G	92.5	Very high	77.9	Confident	28 Å²	28	71 Å²	71	29%	0.289	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	-119.7	-170.4	0	0	0	0	0	111.9	K46 S84	K46-G52 PolarHBondContact NZ-O 3.09Å; K46-G52 VanDerWaalsContact NZ-O 3.12Å; G52-S84 VanDerWaalsContact O-CB 3.29Å; G52-S84 WeakPolarHBondContact O-CB 3.36Å
53	D	95.6	Very high	80.1	Confident	11 Å²	11	64.2 Å²	64.2	6%	0.059	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-13.1	171.5	-62.8	-27.1	0	0	0	112.9	Y51 G72 R77 P83 S87 D284	Y51-D53 PolarHBondContact O-N 3.3Å; D53-G72 PolarHBondContact O-N 3.05Å; D53-R77 IonicContact OD1-CZ 3.97Å; D53-R77 IonicContact OD1-NH2 2.82Å; D53-R77 PolarHBondContact OD1-NH2 3.2Å; D53-R77 IonicContact OD2-CZ 3.24Å; D53-R77 VanDerWaalsContact OD2-CZ 3.24Å; D53-R77 IonicContact OD2-NH1 2.93Å; D53-R77 PolarHBondContact OD2-NH1 3.14Å; D53-R77 IonicContact OD2-NH2 2.67Å; D53-R77 PolarHBondContact OD2-NH2 2.66Å; D53-P83 HydrophobicContact CB-CB 4.03Å; D53-S87 WeakPolarHBondContact O-CB 3.23Å; D53-S87 PolarHBondContact O-OG 3.5Å; D53-D284 WeakPolarHBondContact CA-OD2 3.39Å; D53-D284 VanDerWaalsContact CB-OD2 3.25Å; D53-D284 WeakPolarHBondContact CB-OD2 3.33Å; D53-D284 PolarHBondContact N-OD2 3.14Å
54	D	97.6	Very high	83	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	152.8	171.9	-73.8	-8.9	0	0	0	113.3	C50 Y51 A70 D71 T215 D284 T286	C50-D54 CarbonylContact C-O 3.54Å; C50-D54 VanDerWaalsContact CA-O 3.28Å; C50-D54 WeakPolarHBondContact CA-O 3.34Å; Y51-D54 PolarHBondContact N-O 2.89Å; Y51-D54 WeakPolarHBondContact O-CB 3.4Å; Y51-D54 PolarHBondContact O-N 3.01Å; D54-A70 WeakPolarHBondContact CA-O 3.27Å; D54-D71 WeakPolarHBondContact OD1-CA 3.33Å; D54-D71 WeakPolarHBondContact OD1-CB 3.14Å; D54-T215 HydrophobicContact CB-CG2 4.41Å; D54-T215 WeakPolarHBondContact OD2-CB 3.06Å; D54-T215 WeakPolarHBondContact OD2-CG2 3.29Å; D54-T215 PolarHBondContact OD2-OG1 2.89Å; D54-D284 HydrophobicContact CB-CB 4.35Å; D54-T286 WeakPolarHBondContact CB-OG1 3.34Å; D54-T286 VanDerWaalsContact CG-OG1 3.32Å; D54-T286 VanDerWaalsContact OD2-CB 3.32Å; D54-T286 WeakPolarHBondContact OD2-CB 3.1Å; D54-T286 PolarHBondContact OD2-N 3.42Å; D54-T286 PolarHBondContact OD2-OG1 3.48Å
55	A	97.8	Very high	85.8	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.008	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	156.6	166.2	0	0	0	0	0	112.3	M49 V69 A70 M91	M49-A55 CarbonylContact O-C 3.35Å; M49-A55 WeakPolarHBondContact O-CA 3.41Å; A55-V69 CarbonylContact O-C 3.29Å; A55-V69 WeakPolarHBondContact O-CA 3.47Å; A55-A70 PolarHBondContact N-O 2.84Å; A55-A70 PolarHBondContact O-N 3.17Å; A55-M91 HydrophobicContact CB-CB 4.13Å; A55-M91 HydrophobicContact CB-CG 3.82Å
56	C	98.3	Very high	88.6	Confident	6 Å²	6	46 Å²	46	4%	0.041	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	169.4	171	58.9	0	0	0	0	112	M49 G68 V69 T286 L288	M49-C56 WeakPolarHBondContact CB-O 3.24Å; M49-C56 HydrophobicContact CE-CB 4.26Å; M49-C56 WeakPolarHBondContact CE-SG 3.43Å; M49-C56 PolarHBondContact O-N 2.83Å; C56-G68 CarbonylContact C-O 3.45Å; C56-G68 WeakPolarHBondContact CA-O 3.27Å; C56-G68 WeakPolarHBondContact CB-O 3.38Å; C56-V69 HydrophobicContact CB-CB 4.48Å; C56-V69 HydrophobicContact CB-CG1 3.89Å; C56-T286 HydrophobicContact CB-CG2 3.81Å; C56-L288 HydrophobicContact CB-CD1 4.15Å; C56-L288 HydrophobicContact CB-CD2 4.13Å; C56-L288 HydrophobicContact CB-CG 4.33Å
57	F	97.9	Very high	90.9	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	156.9	169.3	75.5	-83.1	0	0	0	111.4	A59 V66 L67 G68 M91 C94 E95 V98 I134	F57-A59 HydrophobicContact CD2-CB 3.95Å; F57-A59 HydrophobicContact CE2-CB 4.07Å; F57-V66 HydrophobicContact CE2-CB 4.29Å; F57-V66 HydrophobicContact CE2-CG1 3.89Å; F57-V66 HydrophobicContact CZ-CG1 3.89Å; F57-L67 WeakPolarHBondContact O-CA 3.45Å; F57-G68 PolarHBondContact N-O 2.89Å; F57-G68 PolarHBondContact O-N 3.28Å; F57-G68 VanDerWaalsContact O-N 3.13Å; F57-M91 HydrophobicContact CD1-CB 4Å; F57-M91 HydrophobicContact CD1-CG 4.36Å; F57-M91 HydrophobicContact CD1-SD 3.6Å; F57-M91 HydrophobicContact CE1-SD 3.82Å; F57-C94 HydrophobicContact CD1-CB 4.08Å; F57-C94 HydrophobicContact CE1-CB 3.42Å; F57-C94 VanDerWaalsContact CE1-CB 3.42Å; F57-C94 HydrophobicContact CE2-CB 4.39Å; F57-C94 HydrophobicContact CZ-CB 3.61Å; F57-E95 HydrophobicContact CB-CB 3.84Å; F57-E95 HydrophobicContact CB-CG 4.07Å; F57-E95 HydrophobicContact CD2-CB 3.73Å; F57-E95 HydrophobicContact CD2-CG 3.99Å; F57-E95 HydrophobicContact CG-CB 3.87Å; F57-E95 HydrophobicContact CG-CG 4.35Å; F57-V98 HydrophobicContact CE2-CG2 4.45Å; F57-I134 HydrophobicContact CE1-CD1 3.85Å; F57-I134 HydrophobicContact CZ-CD1 4.23Å
58	I	97.6	Very high	93.4	Very high	57 Å²	57	32 Å²	32	29%	0.292	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	120.9	168.4	-59.6	160.4	0	0	0	106.8	T31 M49 L288	T31-I58 HydrophobicContact CG2-CD1 3.47Å; T31-I58 VanDerWaalsContact CG2-CD1 3.47Å; T31-I58 HydrophobicContact CG2-CG1 3.87Å; M49-I58 HydrophobicContact CE-CD1 3.78Å; M49-I58 HydrophobicContact CE-CG1 3.78Å; I58-L288 HydrophobicContact CD1-CD2 4.23Å; I58-L288 HydrophobicContact CG1-CD2 4.3Å
59	A	97.1	Very high	95.1	Very high	3 Å²	3	29.4 Å²	29.4	3%	0.025	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.6	-179.5	0	0	0	0	0	110.8	F57 V66 E95 V98 K99	F57-A59 HydrophobicContact CD2-CB 3.95Å; F57-A59 HydrophobicContact CE2-CB 4.07Å; A59-V66 PolarHBondContact N-O 3.43Å; A59-V66 PolarHBondContact O-N 2.96Å; A59-V66 VanDerWaalsContact O-O 3.07Å; A59-E95 HydrophobicContact CB-CG 4.07Å; A59-V98 HydrophobicContact CB-CB 3.89Å; A59-V98 HydrophobicContact CB-CG1 3.56Å; A59-K99 HydrophobicContact CB-CG 4.41Å
60	R	95.3	Very high	95.8	Very high	130 Å²	130	27.1 Å²	27.1	49%	0.491	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.1	176.7	177.7	171.2	-68.6	-177.8	-5.8	108.7	L29 D65 R139	L29-R60 PolarHBondContact O-NH2 2.98Å; R60-D65 WeakPolarHBondContact CG-OD1 3.39Å; R60-D65 IonicContact CZ-OD1 2.89Å; R60-D65 IonicContact NE-OD1 3.73Å; R60-D65 PolarHBondContact NE-OD1 2.68Å; R60-D65 IonicContact NH2-OD1 3.15Å; R60-D65 PolarHBondContact NH2-OD1 2.73Å; R60-D65 IonicContact NH2-OD2 3.98Å; R60-R139 VanDerWaalsContact CZ-NH2 3.31Å
61	H	94.6	Very high	96.3	Very high	44 Å²	44	26.6 Å²	26.6	20%	0.204	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	114.3	175.7	173.6	-85.8	0	0	0	110	S63 A64 V98 G101 F103	H61-S63 VanDerWaalsContact C-N 3.29Å; H61-S63 PolarHBondContact O-N 3.18Å; H61-A64 PolarHBondContact N-O 3.14Å; H61-A64 PolarHBondContact O-N 3.48Å; H61-V98 HydrophobicContact CB-CG1 4.11Å; H61-V98 WeakPolarHBondContact CB-O 3.36Å; H61-V98 PolarHBondContact CD2-O 3.02Å; H61-G101 WeakPolarHBondContact NE2-CA 3.24Å; H61-F103 HydrophobicContact CB-CE1 3.85Å; H61-F103 HydrophobicContact CB-CZ 4.07Å; H61-F103 AromaticContact CG-CE1 3.81Å; H61-F103 AromaticContact ND1-CE1 3.73Å
62	K	90.4	Very high	96.6	Very high	182 Å²	182	24.5 Å²	24.5	79%	0.791	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	32.3	-74.9	173.8	-62.2	-174.2	-177.7	179.2	0	116.5
63	S	90.2	Very high	96.8	Very high	27 Å²	27	24.7 Å²	24.7	19%	0.189	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-1.3	-176.9	60.8	0	0	0	0	115.5	H61 R139	H61-S63 VanDerWaalsContact C-N 3.29Å; H61-S63 PolarHBondContact O-N 3.18Å; S63-R139 WeakPolarHBondContact O-CB 3.46Å; S63-R139 WeakPolarHBondContact O-CG 3.41Å; S63-R139 PolarHBondContact O-N 2.65Å
64	A	96.6	Very high	96.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	148.1	-176.5	0	0	0	0	0	114.1	H61 V66 F103 P105 V136 L137	H61-A64 PolarHBondContact N-O 3.14Å; H61-A64 PolarHBondContact O-N 3.48Å; A64-V66 HydrophobicContact CB-CG2 4.38Å; A64-F103 HydrophobicContact CB-CE2 3.94Å; A64-F103 HydrophobicContact CB-CZ 3.94Å; A64-P105 HydrophobicContact CB-CB 4.17Å; A64-P105 HydrophobicContact CB-CG 4.1Å; A64-V136 HydrophobicContact CB-CG1 4.08Å; A64-L137 WeakPolarHBondContact CA-O 3.16Å; A64-L137 WeakPolarHBondContact CB-O 3.44Å
65	D	97.8	Very high	96.4	Very high	8 Å²	8	27.8 Å²	27.8	4%	0.043	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.7	160.4	-69.3	-55.8	0	0	0	108.3	S28 L29 R60 V136 L137 R139	S28-D65 VanDerWaalsContact CA-OD2 3.3Å; S28-D65 WeakPolarHBondContact CA-OD2 3.27Å; L29-D65 HydrophobicContact CB-CB 4.02Å; L29-D65 HydrophobicContact CD1-CB 3.92Å; L29-D65 HydrophobicContact CG-CB 3.93Å; L29-D65 PolarHBondContact N-OD2 3.25Å; R60-D65 WeakPolarHBondContact CG-OD1 3.39Å; R60-D65 IonicContact CZ-OD1 2.89Å; R60-D65 IonicContact NE-OD1 3.73Å; R60-D65 PolarHBondContact NE-OD1 2.68Å; R60-D65 IonicContact NH2-OD1 3.15Å; R60-D65 PolarHBondContact NH2-OD1 2.73Å; R60-D65 IonicContact NH2-OD2 3.98Å; D65-V136 WeakPolarHBondContact O-CA 3.33Å; D65-L137 HydrophobicContact CB-CB 4.37Å; D65-L137 PolarHBondContact N-O 2.91Å; D65-L137 VanDerWaalsContact N-O 3.09Å; D65-L137 PolarHBondContact O-N 2.75Å; D65-R139 IonicContact OD1-CZ 3.7Å; D65-R139 IonicContact OD1-NE 3.72Å; D65-R139 IonicContact OD1-NH2 3.47Å; D65-R139 PolarHBondContact OD1-NH2 2.94Å; D65-R139 IonicContact OD2-CZ 3.87Å; D65-R139 IonicContact OD2-NE 2.6Å; D65-R139 PolarHBondContact OD2-NE 2.8Å; D65-R139 IonicContact OD2-NH2 2.85Å; D65-R139 PolarHBondContact OD2-NH2 3.37Å
66	V	98.6	Very high	96.2	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.3	-177.6	-171	0	0	0	0	109.3	F57 A59 A64 V98 F103 I134 V135 V136	F57-V66 HydrophobicContact CE2-CB 4.29Å; F57-V66 HydrophobicContact CE2-CG1 3.89Å; F57-V66 HydrophobicContact CZ-CG1 3.89Å; A59-V66 PolarHBondContact N-O 3.43Å; A59-V66 PolarHBondContact O-N 2.96Å; A59-V66 VanDerWaalsContact O-O 3.07Å; A64-V66 HydrophobicContact CB-CG2 4.38Å; V66-V98 HydrophobicContact CB-CG1 3.93Å; V66-V98 HydrophobicContact CB-CG2 3.89Å; V66-V98 HydrophobicContact CG1-CG2 3.87Å; V66-V98 HydrophobicContact CG2-CB 4.45Å; V66-V98 HydrophobicContact CG2-CG1 3.64Å; V66-V98 HydrophobicContact CG2-CG2 3.89Å; V66-F103 HydrophobicContact CG2-CD2 4.41Å; V66-F103 HydrophobicContact CG2-CE2 3.73Å; V66-F103 HydrophobicContact CG2-CZ 4.08Å; V66-I134 HydrophobicContact CG1-CG2 4.05Å; V66-V135 WeakPolarHBondContact CA-O 3.45Å; V66-V136 HydrophobicContact CB-CG2 4.42Å; V66-V136 HydrophobicContact CG1-CG2 3.79Å; V66-V136 HydrophobicContact CG2-CB 4.45Å; V66-V136 HydrophobicContact CG2-CG1 4.05Å; V66-V136 HydrophobicContact CG2-CG2 4.02Å
67	L	98	Very high	96	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	155.5	176.4	57.2	104.6	0	0	0	109.8	L29 F57 V135 T213 L288 S290	L29-L67 HydrophobicContact CD1-CD2 3.46Å; L29-L67 VanDerWaalsContact CD1-CD2 3.46Å; F57-L67 WeakPolarHBondContact O-CA 3.45Å; L67-V135 HydrophobicContact CD1-CB 3.72Å; L67-V135 HydrophobicContact CD1-CG1 4.3Å; L67-V135 HydrophobicContact CD1-CG2 4.18Å; L67-V135 HydrophobicContact CG-CB 3.93Å; L67-V135 HydrophobicContact CG-CG1 4.34Å; L67-V135 PolarHBondContact N-O 3.13Å; L67-V135 PolarHBondContact O-N 3.07Å; L67-T213 HydrophobicContact CD1-CG2 3.97Å; L67-T213 VanDerWaalsContact CD1-OG1 3.24Å; L67-T213 WeakPolarHBondContact CD1-OG1 3.26Å; L67-L288 HydrophobicContact CB-CD1 3.89Å; L67-L288 HydrophobicContact CD1-CB 4.44Å; L67-L288 HydrophobicContact CD1-CD1 3.88Å; L67-S290 WeakPolarHBondContact CD2-OG 3.41Å
68	G	98.5	Very high	95.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	155.2	176.2	0	0	0	0	0	113	C56 F57 C133	C56-G68 CarbonylContact C-O 3.45Å; C56-G68 WeakPolarHBondContact CA-O 3.27Å; C56-G68 WeakPolarHBondContact CB-O 3.38Å; F57-G68 PolarHBondContact N-O 2.89Å; F57-G68 PolarHBondContact O-N 3.28Å; F57-G68 VanDerWaalsContact O-N 3.13Å; G68-C133 CarbonylContact C-O 3.55Å; G68-C133 WeakPolarHBondContact CA-O 3.41Å
69	V	98.8	Very high	95.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	151.7	174.8	-59.2	0	0	0	0	108.9	A55 C56 A132 C133 T213 T215 T286 L288	A55-V69 CarbonylContact O-C 3.29Å; A55-V69 WeakPolarHBondContact O-CA 3.47Å; C56-V69 HydrophobicContact CB-CB 4.48Å; C56-V69 HydrophobicContact CB-CG1 3.89Å; V69-A132 WeakPolarHBondContact O-CA 3.49Å; V69-C133 HydrophobicContact CG2-CB 3.85Å; V69-C133 PolarHBondContact N-O 3.33Å; V69-C133 PolarHBondContact O-N 3.41Å; V69-T213 HydrophobicContact CG1-CG2 4.06Å; V69-T213 HydrophobicContact CG2-CG2 3.83Å; V69-T215 HydrophobicContact CB-CG2 4.09Å; V69-T215 HydrophobicContact CG2-CG2 4.29Å; V69-T286 HydrophobicContact CG1-CG2 4.12Å; V69-L288 HydrophobicContact CG1-CD1 3.77Å; V69-L288 HydrophobicContact CG1-CG 3.88Å
70	A	98.6	Very high	95.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	132.1	172.4	0	0	0	0	0	109.2	D54 A55 M91 T131	D54-A70 WeakPolarHBondContact CA-O 3.27Å; A55-A70 PolarHBondContact N-O 2.84Å; A55-A70 PolarHBondContact O-N 3.17Å; A70-M91 HydrophobicContact CB-CE 3.72Å; A70-M91 HydrophobicContact CB-CG 3.9Å; A70-M91 HydrophobicContact CB-SD 3.99Å; A70-T131 WeakPolarHBondContact CA-O 3.24Å; A70-T131 WeakPolarHBondContact CB-O 3.38Å
71	D	98.5	Very high	95	Very high	14 Å²	14	45.5 Å²	45.5	8%	0.075	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	122.8	170.7	165.6	30	0	0	0	109.7	D54 S130 T131 T215	D54-D71 WeakPolarHBondContact OD1-CA 3.33Å; D54-D71 WeakPolarHBondContact OD1-CB 3.14Å; D71-S130 CarbonylContact O-C 3.6Å; D71-S130 WeakPolarHBondContact O-CA 3.42Å; D71-S130 WeakPolarHBondContact O-CB 3.2Å; D71-T131 WeakPolarHBondContact CB-OG1 3.32Å; D71-T131 PolarHBondContact N-OG1 3Å; D71-T131 VanDerWaalsContact N-OG1 3.13Å; D71-T131 PolarHBondContact O-N 3.46Å; D71-T215 HydrophobicContact CB-CG2 3.98Å
72	G	97.9	Very high	95	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-81.4	121.8	178.2	0	0	0	0	0	111.6	D53 G74 S129	D53-G72 PolarHBondContact O-N 3.05Å; G72-G74 PolarHBondContact O-N 3.05Å; G72-S129 WeakPolarHBondContact CA-O 3.35Å
73	V	96.3	Very high	95.2	Very high	32 Å²	32	37.5 Å²	37.5	19%	0.194	22%	0.217	C	C	.	.			trans	-63.2	113.6	-172.1	178.2	0	0	0	0	111.6	G75 W76 S129 Q178	V73-G75 PolarHBondContact O-N 3.27Å; V73-W76 PolarHBondContact O-N 2.92Å; V73-S129 VanDerWaalsContact CB-OG 3.29Å; V73-S129 WeakPolarHBondContact CB-OG 3.42Å; V73-S129 VanDerWaalsContact CG2-OG 3.29Å; V73-S129 WeakPolarHBondContact CG2-OG 3.43Å; V73-S129 PolarHBondContact N-O 3.33Å; V73-Q178 HydrophobicContact CG2-CB 4.45Å
74	G	93.1	Very high	95.5	Very high	36 Å²	36	36.8 Å²	36.8	37%	0.371	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-59.1	-24.3	-172.3	0	0	0	0	0	115.9	G72 W76 R77	G72-G74 PolarHBondContact O-N 3.05Å; G74-W76 PolarHBondContact O-N 2.81Å; G74-R77 VanDerWaalsContact O-CB 3.23Å; G74-R77 WeakPolarHBondContact O-CB 3.04Å; G74-R77 PolarHBondContact O-N 3.08Å; G74-R77 VanDerWaalsContact O-N 3.14Å
75	G	91.9	Very high	95.5	Very high	40 Å²	40	41.8 Å²	41.8	41%	0.412	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-61.7	-22.9	-177.8	0	0	0	0	0	114.5	V73 R77 D78	V73-G75 PolarHBondContact O-N 3.27Å; G75-R77 PolarHBondContact O-N 3.4Å; G75-R77 VanDerWaalsContact O-N 3.16Å; G75-D78 PolarHBondContact O-N 3.24Å
76	W	94.1	Very high	95.4	Very high	21 Å²	21	41.4 Å²	41.4	8%	0.08	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-60.7	-23.9	175.1	-79.3	104.1	0	0	0	113.9	V73 G74 D78 Y79 G80 V81 P83 G128 S129 V190	V73-W76 PolarHBondContact O-N 2.92Å; G74-W76 PolarHBondContact O-N 2.81Å; W76-D78 PolarHBondContact O-N 3.34Å; W76-Y79 WeakPolarHBondContact O-CA 3.3Å; W76-Y79 WeakPolarHBondContact O-CB 3.36Å; W76-Y79 PolarHBondContact O-N 2.86Å; W76-G80 PolarHBondContact O-N 3.01Å; W76-V81 CarbonylContact C-O 3.59Å; W76-V81 VanDerWaalsContact C-O 3.29Å; W76-V81 HydrophobicContact CB-CB 3.98Å; W76-V81 HydrophobicContact CB-CG1 4.02Å; W76-V81 HydrophobicContact CD2-CG1 4.37Å; W76-V81 HydrophobicContact CE3-CB 4Å; W76-V81 HydrophobicContact CE3-CG1 4.09Å; W76-V81 HydrophobicContact CE3-CG2 4.02Å; W76-V81 HydrophobicContact CG-CG1 4.37Å; W76-V81 PolarHBondContact O-N 2.91Å; W76-V81 VanDerWaalsContact O-N 3.14Å; W76-P83 HydrophobicContact CB-CG 4.27Å; W76-G128 VanDerWaalsContact CE2-C 3.43Å; W76-G128 VanDerWaalsContact CE2-CA 3.41Å; W76-G128 VanDerWaalsContact NE1-C 3.29Å; W76-S129 PolarHBondContact NE1-OG 2.82Å; W76-V190 HydrophobicContact CH2-CG1 4.26Å; W76-V190 HydrophobicContact CH2-CG2 4.25Å; W76-V190 HydrophobicContact CZ2-CG1 3.77Å
77	R	93.3	Very high	95.4	Very high	118 Å²	118	41.3 Å²	41.3	45%	0.445	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60.6	-32.4	178.6	-173.4	169.7	-73.7	114	-5.9	113	D53 G74 G75 Y79 G80 V81	D53-R77 IonicContact OD1-CZ 3.97Å; D53-R77 IonicContact OD1-NH2 2.82Å; D53-R77 PolarHBondContact OD1-NH2 3.2Å; D53-R77 IonicContact OD2-CZ 3.24Å; D53-R77 VanDerWaalsContact OD2-CZ 3.24Å; D53-R77 IonicContact OD2-NH1 2.93Å; D53-R77 PolarHBondContact OD2-NH1 3.14Å; D53-R77 IonicContact OD2-NH2 2.67Å; D53-R77 PolarHBondContact OD2-NH2 2.66Å; G74-R77 VanDerWaalsContact O-CB 3.23Å; G74-R77 WeakPolarHBondContact O-CB 3.04Å; G74-R77 PolarHBondContact O-N 3.08Å; G74-R77 VanDerWaalsContact O-N 3.14Å; G75-R77 PolarHBondContact O-N 3.4Å; G75-R77 VanDerWaalsContact O-N 3.16Å; R77-Y79 PolarHBondContact O-N 2.82Å; R77-G80 PolarHBondContact O-N 3.09Å; R77-V81 WeakPolarHBondContact CA-O 3.36Å; R77-V81 PolarHBondContact N-O 2.89Å
78	D	91.6	Very high	95.4	Very high	147 Å²	147	41.4 Å²	41.4	79%	0.786	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-67.1	-20	177.2	-67.3	-20.8	0	0	0	112.4	G75 W76	G75-D78 PolarHBondContact O-N 3.24Å; W76-D78 PolarHBondContact O-N 3.34Å
79	Y	90	Very high	95.3	Very high	187 Å²	187	43.5 Å²	43.5	73%	0.733	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-98.2	9	175.4	-57.8	-86.5	0	0	0	112.7	W76 R77 V81	W76-Y79 WeakPolarHBondContact O-CA 3.3Å; W76-Y79 WeakPolarHBondContact O-CB 3.36Å; W76-Y79 PolarHBondContact O-N 2.86Å; R77-Y79 PolarHBondContact O-N 2.82Å; Y79-V81 PolarHBondContact O-N 2.76Å
80	G	92.3	Very high	95.3	Very high	73 Å²	73	43.5 Å²	43.5	75%	0.753	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	14.3	-177.9	0	0	0	0	0	114.3	W76 R77	W76-G80 PolarHBondContact O-N 3.01Å; R77-G80 PolarHBondContact O-N 3.09Å
81	V	93.9	Very high	95.3	Very high	24 Å²	24	43.6 Å²	43.6	15%	0.145	25%	0.247	C	C	.	.			trans	-96.1	130.9	176.4	174	0	0	0	0	108.9	W76 R77 Y79 P83 L127	W76-V81 CarbonylContact C-O 3.59Å; W76-V81 VanDerWaalsContact C-O 3.29Å; W76-V81 HydrophobicContact CB-CB 3.98Å; W76-V81 HydrophobicContact CB-CG1 4.02Å; W76-V81 HydrophobicContact CD2-CG1 4.37Å; W76-V81 HydrophobicContact CE3-CB 4Å; W76-V81 HydrophobicContact CE3-CG1 4.09Å; W76-V81 HydrophobicContact CE3-CG2 4.02Å; W76-V81 HydrophobicContact CG-CG1 4.37Å; W76-V81 PolarHBondContact O-N 2.91Å; W76-V81 VanDerWaalsContact O-N 3.14Å; R77-V81 WeakPolarHBondContact CA-O 3.36Å; R77-V81 PolarHBondContact N-O 2.89Å; Y79-V81 PolarHBondContact O-N 2.76Å; V81-P83 VanDerWaalsContact O-CD 3.31Å; V81-P83 WeakPolarHBondContact O-CD 3.19Å; V81-L127 HydrophobicContact CG1-CB 4.09Å; V81-L127 WeakPolarHBondContact CG1-O 3.35Å; V81-L127 HydrophobicContact CG2-CB 4Å; V81-L127 HydrophobicContact CG2-CD1 4.31Å
82	D	94.6	Very high	95.2	Very high	59 Å²	59	48.8 Å²	48.8	32%	0.316	27%	0.269	S	S	.	.			trans	-84.2	109.4	178.9	178.6	-3.2	0	0	0	110	S84 Q85	D82-S84 PolarHBondContact O-N 3.43Å; D82-S84 WeakPolarHBondContact OD1-CB 3.44Å; D82-S84 PolarHBondContact OD1-N 2.82Å; D82-S84 PolarHBondContact OD1-OG 2.85Å; D82-S84 PolarHBondContact OD2-OG 3.42Å; D82-Q85 HydrophobicContact CB-CG 4Å; D82-Q85 WeakPolarHBondContact O-CB 3.39Å; D82-Q85 PolarHBondContact O-N 3.24Å; D82-Q85 VanDerWaalsContact O-N 3.1Å
83	P	95.6	Very high	95.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.3	-33.9	-172.8	-19.7	30.9	0	0	0	113	D53 W76 V81 Q85 F86	D53-P83 HydrophobicContact CB-CB 4.03Å; W76-P83 HydrophobicContact CB-CG 4.27Å; V81-P83 VanDerWaalsContact O-CD 3.31Å; V81-P83 WeakPolarHBondContact O-CD 3.19Å; P83-Q85 PolarHBondContact O-N 2.79Å; P83-Q85 VanDerWaalsContact O-N 3.09Å; P83-F86 PolarHBondContact O-N 3.01Å; P83-F86 VanDerWaalsContact O-N 3.09Å
84	S	95.4	Very high	95.4	Very high	12 Å²	12	48 Å²	48	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-21.1	178.8	75	0	0	0	0	114.8	K46 G52 D82 S87 G88	K46-S84 PolarHBondContact NZ-OG 3.29Å; G52-S84 VanDerWaalsContact O-CB 3.29Å; G52-S84 WeakPolarHBondContact O-CB 3.36Å; D82-S84 PolarHBondContact O-N 3.43Å; D82-S84 WeakPolarHBondContact OD1-CB 3.44Å; D82-S84 PolarHBondContact OD1-N 2.82Å; D82-S84 PolarHBondContact OD1-OG 2.85Å; D82-S84 PolarHBondContact OD2-OG 3.42Å; S84-S87 PolarHBondContact O-OG 2.93Å; S84-G88 WeakPolarHBondContact O-CA 3.1Å; S84-G88 PolarHBondContact O-N 2.78Å
85	Q	95.7	Very high	95.6	Very high	104 Å²	104	48.6 Å²	48.6	49%	0.486	26%	0.257	S	S	.	.	H	α-helix	trans	-71.2	-37.1	178.2	-64.1	-170.5	40.4	0	0	110.8	D82 P83 T89 L126	D82-Q85 HydrophobicContact CB-CG 4Å; D82-Q85 WeakPolarHBondContact O-CB 3.39Å; D82-Q85 PolarHBondContact O-N 3.24Å; D82-Q85 VanDerWaalsContact O-N 3.1Å; P83-Q85 PolarHBondContact O-N 2.79Å; P83-Q85 VanDerWaalsContact O-N 3.09Å; Q85-T89 VanDerWaalsContact O-CB 3.23Å; Q85-T89 WeakPolarHBondContact O-CB 3.44Å; Q85-T89 PolarHBondContact O-N 2.83Å; Q85-T89 PolarHBondContact O-OG1 2.82Å; Q85-L126 HydrophobicContact CB-CD1 3.83Å
86	F	97.3	Very high	95.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-69	-60.2	179.9	-167.6	-80.2	0	0	0	110.9	P83 G88 T89 L90 Y116 L119 L126 G128 S130 L179 I181	P83-F86 PolarHBondContact O-N 3.01Å; P83-F86 VanDerWaalsContact O-N 3.09Å; F86-G88 VanDerWaalsContact C-N 3.33Å; F86-G88 PolarHBondContact O-N 3.49Å; F86-T89 PolarHBondContact O-N 2.95Å; F86-L90 HydrophobicContact CE1-CD2 4.47Å; F86-L90 WeakPolarHBondContact O-CB 3.26Å; F86-L90 PolarHBondContact O-N 3.31Å; F86-Y116 HydrophobicContact CZ-CD2 4.33Å; F86-Y116 HydrophobicContact CZ-CE2 4.11Å; F86-L119 HydrophobicContact CE2-CD2 4.46Å; F86-L119 HydrophobicContact CZ-CD2 4.41Å; F86-L126 HydrophobicContact CD2-CD2 4.47Å; F86-L126 HydrophobicContact CD2-CG 4.43Å; F86-G128 VanDerWaalsContact CD2-C 3.4Å; F86-G128 WeakPolarHBondContact CD2-O 3.44Å; F86-G128 WeakPolarHBondContact CE2-O 3.35Å; F86-S130 WeakPolarHBondContact CD1-OG 3.36Å; F86-S130 WeakPolarHBondContact CE1-OG 3.28Å; F86-L179 HydrophobicContact CE1-CB 4.1Å; F86-L179 WeakPolarHBondContact CE1-O 3.43Å; F86-L179 HydrophobicContact CZ-CB 4.06Å; F86-L179 WeakPolarHBondContact CZ-O 3.34Å; F86-I181 HydrophobicContact CE2-CB 4.1Å; F86-I181 HydrophobicContact CE2-CD1 3.93Å; F86-I181 HydrophobicContact CE2-CG1 3.79Å; F86-I181 HydrophobicContact CZ-CG1 4.5Å
87	S	97.9	Very high	96.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-55.7	-46.8	178.7	57.2	0	0	0	0	111.6	D53 S84 T89 L90 M91	D53-S87 WeakPolarHBondContact O-CB 3.23Å; D53-S87 PolarHBondContact O-OG 3.5Å; S84-S87 PolarHBondContact O-OG 2.93Å; S87-T89 PolarHBondContact O-N 3.4Å; S87-L90 PolarHBondContact O-N 3.46Å; S87-M91 WeakPolarHBondContact O-CG 3.37Å; S87-M91 PolarHBondContact O-N 3.37Å
88	G	97.3	Very high	96.4	Very high	3 Å²	3	43.9 Å²	43.9	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-38.7	179.5	0	0	0	0	0	113.9	S84 F86 K92	S84-G88 WeakPolarHBondContact O-CA 3.1Å; S84-G88 PolarHBondContact O-N 2.78Å; F86-G88 VanDerWaalsContact C-N 3.33Å; F86-G88 PolarHBondContact O-N 3.49Å; G88-K92 WeakPolarHBondContact O-CB 3.29Å; G88-K92 WeakPolarHBondContact O-CD 3.24Å; G88-K92 WeakPolarHBondContact O-CG 3.36Å; G88-K92 PolarHBondContact O-N 3.33Å
89	T	97.2	Very high	96.6	Very high	43 Å²	43	42.6 Å²	42.6	26%	0.264	21%	0.214	S	C	.	.	H	α-helix	trans	-75.1	-39.7	177	-54.1	0	0	0	0	110.9	Q85 F86 S87 M91 K92 T93 L119 L126	Q85-T89 VanDerWaalsContact O-CB 3.23Å; Q85-T89 WeakPolarHBondContact O-CB 3.44Å; Q85-T89 PolarHBondContact O-N 2.83Å; Q85-T89 PolarHBondContact O-OG1 2.82Å; F86-T89 PolarHBondContact O-N 2.95Å; S87-T89 PolarHBondContact O-N 3.4Å; T89-M91 PolarHBondContact O-N 2.89Å; T89-K92 PolarHBondContact O-N 2.95Å; T89-T93 WeakPolarHBondContact O-CB 3.38Å; T89-T93 PolarHBondContact O-N 2.99Å; T89-T93 PolarHBondContact O-OG1 3.23Å; T89-L119 HydrophobicContact CG2-CD1 4.09Å; T89-L119 HydrophobicContact CG2-CG 4.21Å; T89-L126 VanDerWaalsContact CB-CD2 3.44Å; T89-L126 HydrophobicContact CG2-CD2 3.8Å
90	L	98.4	Very high	97	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.3	-51.5	176.5	-176.7	67	0	0	0	111.2	F86 S87 K92 T93 C94 L112 L119 S130 A132 L179	F86-L90 HydrophobicContact CE1-CD2 4.47Å; F86-L90 WeakPolarHBondContact O-CB 3.26Å; F86-L90 PolarHBondContact O-N 3.31Å; S87-L90 PolarHBondContact O-N 3.46Å; L90-K92 PolarHBondContact O-N 2.94Å; L90-T93 PolarHBondContact O-N 2.9Å; L90-C94 PolarHBondContact O-N 3.13Å; L90-C94 PolarHBondContact O-SG 3.35Å; L90-C94 VanDerWaalsContact O-SG 3.33Å; L90-L112 HydrophobicContact CD1-CD1 4.3Å; L90-L112 HydrophobicContact CD2-CD1 4.11Å; L90-L119 HydrophobicContact CB-CD2 4.06Å; L90-L119 HydrophobicContact CD1-CD2 4.2Å; L90-S130 WeakPolarHBondContact CD2-OG 3.07Å; L90-A132 HydrophobicContact CD2-CB 4.11Å; L90-L179 HydrophobicContact CD1-CD1 4.35Å; L90-L179 HydrophobicContact CD2-CD1 4.1Å
91	M	98.4	Very high	97.2	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-64.2	-39.4	179.9	-67.5	-60	96.3	0	0	112.9	A55 F57 A70 S87 T89 T93 C94 E95 A132 I134	A55-M91 HydrophobicContact CB-CB 4.13Å; A55-M91 HydrophobicContact CB-CG 3.82Å; F57-M91 HydrophobicContact CD1-CB 4Å; F57-M91 HydrophobicContact CD1-CG 4.36Å; F57-M91 HydrophobicContact CD1-SD 3.6Å; F57-M91 HydrophobicContact CE1-SD 3.82Å; A70-M91 HydrophobicContact CB-CE 3.72Å; A70-M91 HydrophobicContact CB-CG 3.9Å; A70-M91 HydrophobicContact CB-SD 3.99Å; S87-M91 WeakPolarHBondContact O-CG 3.37Å; S87-M91 PolarHBondContact O-N 3.37Å; T89-M91 PolarHBondContact O-N 2.89Å; M91-T93 VanDerWaalsContact C-N 3.34Å; M91-T93 PolarHBondContact O-N 3.14Å; M91-C94 PolarHBondContact O-N 3.33Å; M91-E95 WeakPolarHBondContact O-CB 3.27Å; M91-E95 PolarHBondContact O-N 2.91Å; M91-A132 HydrophobicContact CE-CB 4.49Å; M91-I134 HydrophobicContact CE-CD1 4.11Å
92	K	97.9	Very high	97.4	Very high	123 Å²	123	41.9 Å²	41.9	54%	0.535	20%	0.199	S	C	.	.	H	α-helix	trans	-63.5	-38.9	174.2	-75.7	170.5	-172.1	166.9	0	112.4	G88 T89 L90 R96	G88-K92 WeakPolarHBondContact O-CB 3.29Å; G88-K92 WeakPolarHBondContact O-CD 3.24Å; G88-K92 WeakPolarHBondContact O-CG 3.36Å; G88-K92 PolarHBondContact O-N 3.33Å; T89-K92 PolarHBondContact O-N 2.95Å; L90-K92 PolarHBondContact O-N 2.94Å; K92-R96 WeakPolarHBondContact O-CB 3.22Å; K92-R96 PolarHBondContact O-N 2.94Å
93	T	98.3	Very high	97.5	Very high	15 Å²	15	40.4 Å²	40.4	9%	0.092	19%	0.19	C	C	.	.	H	α-helix	trans	-67.2	-43.9	176.6	-58.5	0	0	0	0	110.7	T89 L90 M91 E95 R96 L97 E118 L119	T89-T93 WeakPolarHBondContact O-CB 3.38Å; T89-T93 PolarHBondContact O-N 2.99Å; T89-T93 PolarHBondContact O-OG1 3.23Å; L90-T93 PolarHBondContact O-N 2.9Å; M91-T93 VanDerWaalsContact C-N 3.34Å; M91-T93 PolarHBondContact O-N 3.14Å; T93-E95 PolarHBondContact O-N 3.25Å; T93-R96 PolarHBondContact O-N 2.91Å; T93-L97 HydrophobicContact CG2-CD1 4.42Å; T93-L97 WeakPolarHBondContact O-CG 3.14Å; T93-L97 PolarHBondContact O-N 3.1Å; T93-E118 HydrophobicContact CG2-CB 4.21Å; T93-E118 WeakPolarHBondContact CG2-OE2 3.26Å; T93-L119 HydrophobicContact CG2-CD1 4.34Å
94	C	98.6	Very high	97.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56.6	-50.5	173.3	-68.2	0	0	0	0	111.4	F57 L90 M91 R96 L97 V98 V111 S115	F57-C94 HydrophobicContact CD1-CB 4.08Å; F57-C94 HydrophobicContact CE1-CB 3.42Å; F57-C94 VanDerWaalsContact CE1-CB 3.42Å; F57-C94 HydrophobicContact CE2-CB 4.39Å; F57-C94 HydrophobicContact CZ-CB 3.61Å; L90-C94 PolarHBondContact O-N 3.13Å; L90-C94 PolarHBondContact O-SG 3.35Å; L90-C94 VanDerWaalsContact O-SG 3.33Å; M91-C94 PolarHBondContact O-N 3.33Å; C94-R96 VanDerWaalsContact C-N 3.3Å; C94-R96 PolarHBondContact O-N 2.82Å; C94-L97 PolarHBondContact O-N 2.79Å; C94-V98 WeakPolarHBondContact O-CG2 3.43Å; C94-V98 PolarHBondContact O-N 3.24Å; C94-V111 HydrophobicContact CB-CG1 3.89Å; C94-S115 VanDerWaalsContact CA-OG 3.29Å; C94-S115 WeakPolarHBondContact CA-OG 3.46Å; C94-S115 PolarHBondContact N-OG 3.24Å; C94-S115 VanDerWaalsContact N-OG 3.13Å; C94-S115 VanDerWaalsContact SG-CB 3.59Å; C94-S115 PolarHBondContact SG-OG 2.71Å
95	E	98.4	Very high	97.6	Very high	50 Å²	50	44.9 Å²	44.9	23%	0.234	22%	0.217	C	C	.	.	H	α-helix	trans	-55.6	-45.7	178.5	-168	-167.2	-179.3	0	0	111.8	F57 A59 M91 T93 V98 K99	F57-E95 HydrophobicContact CB-CB 3.84Å; F57-E95 HydrophobicContact CB-CG 4.07Å; F57-E95 HydrophobicContact CD2-CB 3.73Å; F57-E95 HydrophobicContact CD2-CG 3.99Å; F57-E95 HydrophobicContact CG-CB 3.87Å; F57-E95 HydrophobicContact CG-CG 4.35Å; A59-E95 HydrophobicContact CB-CG 4.07Å; M91-E95 WeakPolarHBondContact O-CB 3.27Å; M91-E95 PolarHBondContact O-N 2.91Å; T93-E95 PolarHBondContact O-N 3.25Å; E95-V98 PolarHBondContact O-N 3.35Å; E95-K99 HydrophobicContact CG-CD 4.21Å; E95-K99 WeakPolarHBondContact O-CB 3.39Å; E95-K99 WeakPolarHBondContact O-CG 3.49Å; E95-K99 PolarHBondContact O-N 2.9Å; E95-K99 WeakPolarHBondContact OE1-CE 3.33Å; E95-K99 IonicContact OE1-NZ 3.34Å; E95-K99 PolarHBondContact OE1-NZ 3.43Å
96	R	98.1	Very high	97.7	Very high	79 Å²	79	43.3 Å²	43.3	30%	0.298	22%	0.217	S	C	.	.	H	α-helix	trans	-63.7	-47.5	179.4	-172.6	-171.9	58.3	65.1	9.8	111.5	K92 T93 C94 V98 K99 E100 E118	K92-R96 WeakPolarHBondContact O-CB 3.22Å; K92-R96 PolarHBondContact O-N 2.94Å; T93-R96 PolarHBondContact O-N 2.91Å; C94-R96 VanDerWaalsContact C-N 3.3Å; C94-R96 PolarHBondContact O-N 2.82Å; R96-V98 VanDerWaalsContact C-N 3.29Å; R96-V98 PolarHBondContact O-N 3.23Å; R96-K99 PolarHBondContact O-N 3.37Å; R96-E100 WeakPolarHBondContact CD-OE1 3.44Å; R96-E100 VanDerWaalsContact CG-OE1 3.24Å; R96-E100 WeakPolarHBondContact CG-OE1 3.38Å; R96-E100 IonicContact CZ-OE1 3.85Å; R96-E100 IonicContact NH1-OE1 3.8Å; R96-E100 PolarHBondContact NH1-OE1 3.31Å; R96-E100 IonicContact NH1-OE2 3.84Å; R96-E100 PolarHBondContact NH1-OE2 3.44Å; R96-E100 WeakPolarHBondContact O-CB 3.46Å; R96-E100 WeakPolarHBondContact O-CG 3.29Å; R96-E100 PolarHBondContact O-N 3.33Å; R96-E118 IonicContact CZ-OE1 3.42Å; R96-E118 IonicContact CZ-OE2 3.96Å; R96-E118 IonicContact NH2-OE1 3.73Å; R96-E118 PolarHBondContact NH2-OE1 2.98Å; R96-E118 IonicContact NH2-OE2 3.11Å; R96-E118 PolarHBondContact NH2-OE2 2.87Å
97	L	98.4	Very high	97.8	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-40.8	177.9	-71	178.7	0	0	0	111.8	T93 C94 E100 G101 R102 S115	T93-L97 HydrophobicContact CG2-CD1 4.42Å; T93-L97 WeakPolarHBondContact O-CG 3.14Å; T93-L97 PolarHBondContact O-N 3.1Å; C94-L97 PolarHBondContact O-N 2.79Å; L97-E100 PolarHBondContact O-N 2.7Å; L97-G101 PolarHBondContact O-N 2.81Å; L97-R102 HydrophobicContact CB-CB 4.46Å; L97-R102 HydrophobicContact CD2-CB 3.93Å; L97-R102 PolarHBondContact O-N 2.88Å; L97-S115 WeakPolarHBondContact CD1-OG 3.13Å
98	V	98.3	Very high	97.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-50.2	175.7	173	0	0	0	0	111	F57 A59 H61 V66 C94 E95 R96 E100 G101 F103 V111	F57-V98 HydrophobicContact CE2-CG2 4.45Å; A59-V98 HydrophobicContact CB-CB 3.89Å; A59-V98 HydrophobicContact CB-CG1 3.56Å; H61-V98 HydrophobicContact CB-CG1 4.11Å; H61-V98 WeakPolarHBondContact CB-O 3.36Å; H61-V98 PolarHBondContact CD2-O 3.02Å; V66-V98 HydrophobicContact CB-CG1 3.93Å; V66-V98 HydrophobicContact CB-CG2 3.89Å; V66-V98 HydrophobicContact CG1-CG2 3.87Å; V66-V98 HydrophobicContact CG2-CB 4.45Å; V66-V98 HydrophobicContact CG2-CG1 3.64Å; V66-V98 HydrophobicContact CG2-CG2 3.89Å; C94-V98 WeakPolarHBondContact O-CG2 3.43Å; C94-V98 PolarHBondContact O-N 3.24Å; E95-V98 PolarHBondContact O-N 3.35Å; R96-V98 VanDerWaalsContact C-N 3.29Å; R96-V98 PolarHBondContact O-N 3.23Å; V98-E100 VanDerWaalsContact C-N 3.27Å; V98-E100 PolarHBondContact O-N 2.8Å; V98-G101 PolarHBondContact O-N 2.85Å; V98-F103 HydrophobicContact CB-CD1 4.29Å; V98-F103 HydrophobicContact CB-CE1 4.24Å; V98-F103 HydrophobicContact CG1-CD1 4.34Å; V98-F103 HydrophobicContact CG1-CE1 3.8Å; V98-F103 HydrophobicContact CG1-CZ 3.93Å; V98-F103 HydrophobicContact CG2-CD1 4.3Å; V98-F103 HydrophobicContact CG2-CG 4.32Å; V98-F103 WeakPolarHBondContact O-CE1 3.36Å; V98-V111 HydrophobicContact CG2-CG1 4.37Å
99	K	97.6	Very high	97.8	Very high	119 Å²	119	47.8 Å²	47.8	52%	0.517	24%	0.241	S	C	.	.	H	α-helix	trans	-61.1	-34.5	-179.9	-76.3	175.7	171.9	174.5	0	113	A59 E95 R96 G101	A59-K99 HydrophobicContact CB-CG 4.41Å; E95-K99 HydrophobicContact CG-CD 4.21Å; E95-K99 WeakPolarHBondContact O-CB 3.39Å; E95-K99 WeakPolarHBondContact O-CG 3.49Å; E95-K99 PolarHBondContact O-N 2.9Å; E95-K99 WeakPolarHBondContact OE1-CE 3.33Å; E95-K99 IonicContact OE1-NZ 3.34Å; E95-K99 PolarHBondContact OE1-NZ 3.43Å; R96-K99 PolarHBondContact O-N 3.37Å; K99-G101 PolarHBondContact O-N 2.97Å
100	E	97.6	Very high	97.9	Very high	102 Å²	102	46.5 Å²	46.5	48%	0.477	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-5.3	175.1	-70.7	173.8	-166.7	0	0	113.5	R96 L97 V98 R102	R96-E100 WeakPolarHBondContact CD-OE1 3.44Å; R96-E100 VanDerWaalsContact CG-OE1 3.24Å; R96-E100 WeakPolarHBondContact CG-OE1 3.38Å; R96-E100 IonicContact CZ-OE1 3.85Å; R96-E100 IonicContact NH1-OE1 3.8Å; R96-E100 PolarHBondContact NH1-OE1 3.31Å; R96-E100 IonicContact NH1-OE2 3.84Å; R96-E100 PolarHBondContact NH1-OE2 3.44Å; R96-E100 WeakPolarHBondContact O-CB 3.46Å; R96-E100 WeakPolarHBondContact O-CG 3.29Å; R96-E100 PolarHBondContact O-N 3.33Å; L97-E100 PolarHBondContact O-N 2.7Å; V98-E100 VanDerWaalsContact C-N 3.27Å; V98-E100 PolarHBondContact O-N 2.8Å; E100-R102 HydrophobicContact CB-CG 3.98Å; E100-R102 PolarHBondContact O-N 3.37Å; E100-R102 WeakPolarHBondContact OE2-CD 3.39Å; E100-R102 IonicContact OE2-NH1 3.37Å
101	G	96.9	Very high	97.9	Very high	30 Å²	30	46.6 Å²	46.6	31%	0.309	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	19.8	-176.2	0	0	0	0	0	113.5	H61 L97 V98 K99 F103	H61-G101 WeakPolarHBondContact NE2-CA 3.24Å; L97-G101 PolarHBondContact O-N 2.81Å; V98-G101 PolarHBondContact O-N 2.85Å; K99-G101 PolarHBondContact O-N 2.97Å; G101-F103 PolarHBondContact O-N 3.45Å
102	R	97.1	Very high	97.8	Very high	138 Å²	138	46.5 Å²	46.5	52%	0.521	24%	0.237	S	C	.	.			trans	-89.1	48.6	179.2	-64.4	-178.2	66.5	-156.1	-8.6	111.3	L97 E100 E118	L97-R102 HydrophobicContact CB-CB 4.46Å; L97-R102 HydrophobicContact CD2-CB 3.93Å; L97-R102 PolarHBondContact O-N 2.88Å; E100-R102 HydrophobicContact CB-CG 3.98Å; E100-R102 PolarHBondContact O-N 3.37Å; E100-R102 WeakPolarHBondContact OE2-CD 3.39Å; E100-R102 IonicContact OE2-NH1 3.37Å; R102-E118 IonicContact NH1-OE1 2.8Å; R102-E118 PolarHBondContact NH1-OE1 3.06Å; R102-E118 IonicContact NH2-OE1 2.73Å
103	F	97.4	Very high	97.9	Very high	28 Å²	28	41.7 Å²	41.7	12%	0.123	22%	0.217	C	C	.	.	S	Bend	trans	-151.6	165.1	178	75.5	-69.4	0	0	0	111.1	H61 A64 V66 V98 G101 P105 V111	H61-F103 HydrophobicContact CB-CE1 3.85Å; H61-F103 HydrophobicContact CB-CZ 4.07Å; H61-F103 AromaticContact CG-CE1 3.81Å; H61-F103 AromaticContact ND1-CE1 3.73Å; A64-F103 HydrophobicContact CB-CE2 3.94Å; A64-F103 HydrophobicContact CB-CZ 3.94Å; V66-F103 HydrophobicContact CG2-CD2 4.41Å; V66-F103 HydrophobicContact CG2-CE2 3.73Å; V66-F103 HydrophobicContact CG2-CZ 4.08Å; V98-F103 HydrophobicContact CB-CD1 4.29Å; V98-F103 HydrophobicContact CB-CE1 4.24Å; V98-F103 HydrophobicContact CG1-CD1 4.34Å; V98-F103 HydrophobicContact CG1-CE1 3.8Å; V98-F103 HydrophobicContact CG1-CZ 3.93Å; V98-F103 HydrophobicContact CG2-CD1 4.3Å; V98-F103 HydrophobicContact CG2-CG 4.32Å; V98-F103 WeakPolarHBondContact O-CE1 3.36Å; G101-F103 PolarHBondContact O-N 3.45Å; F103-P105 HydrophobicContact CE2-CB 4.42Å; F103-P105 HydrophobicContact CE2-CG 3.97Å; F103-V111 HydrophobicContact CB-CG2 3.6Å; F103-V111 HydrophobicContact CD2-CG2 4.29Å; F103-V111 HydrophobicContact CG-CG2 4.29Å
104	V	97.1	Very high	97.9	Very high	82 Å²	82	43.3 Å²	43.3	50%	0.497	23%	0.229	S	C	.	.			trans	-115.1	121.7	172.2	179	0	0	0	0	107.3	S106 N107	V104-S106 PolarHBondContact O-N 3.01Å; V104-S106 VanDerWaalsContact O-N 3.16Å; V104-N107 HydrophobicContact CB-CB 4.2Å; V104-N107 HydrophobicContact CG1-CB 4.47Å; V104-N107 CarbonylContact O-C 3.51Å; V104-N107 PolarHBondContact O-N 2.9Å
105	P	96.8	Very high	97.8	Very high	23 Å²	23	43.3 Å²	43.3	15%	0.149	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-37.8	-175.1	-29.9	35.6	0	0	0	114.4	A64 F103 N107 V136 D138	A64-P105 HydrophobicContact CB-CB 4.17Å; A64-P105 HydrophobicContact CB-CG 4.1Å; F103-P105 HydrophobicContact CE2-CB 4.42Å; F103-P105 HydrophobicContact CE2-CG 3.97Å; P105-N107 PolarHBondContact O-N 2.78Å; P105-V136 HydrophobicContact CB-CG1 4.04Å; P105-V136 VanDerWaalsContact O-CG1 3.27Å; P105-V136 WeakPolarHBondContact O-CG1 3.5Å; P105-D138 HydrophobicContact CB-CB 3.98Å
106	S	97.4	Very high	97.8	Very high	71 Å²	71	41.7 Å²	41.7	50%	0.497	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	1.3	179	68.9	0	0	0	0	114.8	V104	V104-S106 PolarHBondContact O-N 3.01Å; V104-S106 VanDerWaalsContact O-N 3.16Å
107	N	97.8	Very high	97.8	Very high	76 Å²	76	43.6 Å²	43.6	41%	0.406	23%	0.23	S	C	.	.			trans	-133.8	73.2	-177	-174.5	13.3	0	0	0	111.9	V104 P105 V109 G110	V104-N107 HydrophobicContact CB-CB 4.2Å; V104-N107 HydrophobicContact CG1-CB 4.47Å; V104-N107 CarbonylContact O-C 3.51Å; V104-N107 PolarHBondContact O-N 2.9Å; P105-N107 PolarHBondContact O-N 2.78Å; N107-V109 VanDerWaalsContact C-N 3.28Å; N107-V109 PolarHBondContact O-N 2.81Å; N107-G110 PolarHBondContact O-N 3.47Å; N107-G110 VanDerWaalsContact O-N 3.08Å; N107-G110 PolarHBondContact OD1-N 3.27Å
108	P	98.1	Very high	97.7	Very high	7 Å²	7	46.1 Å²	46.1	5%	0.045	24%	0.241	C	C	.	.	H	α-helix	trans	-61.7	-32.7	175.7	23.8	-33.7	0	0	0	113.1	G110 V111 L112 I134 V136 H145 T146 A147	P108-G110 PolarHBondContact O-N 3Å; P108-V111 WeakPolarHBondContact O-CB 3.24Å; P108-V111 PolarHBondContact O-N 3.06Å; P108-L112 PolarHBondContact O-N 2.83Å; P108-I134 HydrophobicContact CB-CB 4.28Å; P108-I134 HydrophobicContact CB-CG2 4Å; P108-V136 HydrophobicContact CB-CG2 3.98Å; P108-H145 HydrophobicContact CG-CB 3.98Å; P108-T146 WeakPolarHBondContact CG-O 3.36Å; P108-A147 HydrophobicContact CB-CB 3.85Å; P108-A147 HydrophobicContact CG-CB 3.95Å
109	V	98.4	Very high	97.6	Very high	15 Å²	15	46.2 Å²	46.2	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-56.6	-38.2	172.4	177.7	0	0	0	0	110.8	N107 V111 L112 T113 A147 A198 S200	N107-V109 VanDerWaalsContact C-N 3.28Å; N107-V109 PolarHBondContact O-N 2.81Å; V109-V111 VanDerWaalsContact C-N 3.29Å; V109-V111 PolarHBondContact O-N 3.12Å; V109-L112 PolarHBondContact O-N 3.13Å; V109-T113 WeakPolarHBondContact O-CB 3.36Å; V109-T113 PolarHBondContact O-N 2.95Å; V109-T113 PolarHBondContact O-OG1 3.26Å; V109-A147 HydrophobicContact CG2-CB 3.67Å; V109-A198 HydrophobicContact CG2-CB 4.39Å; V109-S200 WeakPolarHBondContact CG2-OG 3.1Å
110	G	98.3	Very high	97.5	Very high	16 Å²	16	44.4 Å²	44.4	17%	0.165	24%	0.237	C	C	.	.	H	α-helix	trans	-61.3	-33.7	176.1	0	0	0	0	0	114	N107 P108 S114	N107-G110 PolarHBondContact O-N 3.47Å; N107-G110 VanDerWaalsContact O-N 3.08Å; N107-G110 PolarHBondContact OD1-N 3.27Å; P108-G110 PolarHBondContact O-N 3Å; G110-S114 VanDerWaalsContact O-CB 3.27Å; G110-S114 WeakPolarHBondContact O-CB 3.37Å; G110-S114 PolarHBondContact O-N 3.42Å; G110-S114 PolarHBondContact O-OG 2.86Å
111	V	98.3	Very high	97.3	Very high	1 Å²	1	47 Å²	47	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-66.6	-51.1	173.8	-179.9	0	0	0	0	109.7	C94 V98 F103 P108 V109 T113 S114 S115	C94-V111 HydrophobicContact CB-CG1 3.89Å; V98-V111 HydrophobicContact CG2-CG1 4.37Å; F103-V111 HydrophobicContact CB-CG2 3.6Å; F103-V111 HydrophobicContact CD2-CG2 4.29Å; F103-V111 HydrophobicContact CG-CG2 4.29Å; P108-V111 WeakPolarHBondContact O-CB 3.24Å; P108-V111 PolarHBondContact O-N 3.06Å; V109-V111 VanDerWaalsContact C-N 3.29Å; V109-V111 PolarHBondContact O-N 3.12Å; V111-T113 VanDerWaalsContact C-N 3.35Å; V111-T113 PolarHBondContact O-N 2.74Å; V111-S114 PolarHBondContact O-N 2.97Å; V111-S115 WeakPolarHBondContact O-CB 3.48Å; V111-S115 PolarHBondContact O-N 3.4Å; V111-S115 PolarHBondContact O-OG 3.34Å; V111-S115 VanDerWaalsContact O-OG 3.06Å
112	L	98.1	Very high	97	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.1	-47.4	179.3	-176.8	60.6	0	0	0	111.5	L90 P108 V109 S115 Y116 A132 I134 L149 L179 P195 A198	L90-L112 HydrophobicContact CD1-CD1 4.3Å; L90-L112 HydrophobicContact CD2-CD1 4.11Å; P108-L112 PolarHBondContact O-N 2.83Å; V109-L112 PolarHBondContact O-N 3.13Å; L112-S115 PolarHBondContact O-N 3.26Å; L112-Y116 WeakPolarHBondContact O-CB 3.37Å; L112-Y116 PolarHBondContact O-N 3.33Å; L112-A132 HydrophobicContact CD1-CB 3.5Å; L112-A132 VanDerWaalsContact CD1-CB 3.5Å; L112-A132 HydrophobicContact CD2-CB 4.18Å; L112-I134 HydrophobicContact CB-CG1 4.46Å; L112-L149 HydrophobicContact CD2-CB 4.29Å; L112-L179 HydrophobicContact CD1-CD1 3.63Å; L112-L179 HydrophobicContact CD2-CD1 4.44Å; L112-L179 HydrophobicContact CG-CD1 4.02Å; L112-P195 HydrophobicContact CD2-CB 4.45Å; L112-P195 HydrophobicContact CG-CB 4.36Å; L112-A198 HydrophobicContact CD2-CB 4.46Å
113	T	98.5	Very high	96.4	Very high	22 Å²	22	52.7 Å²	52.7	14%	0.135	27%	0.273	C	S	.	.	H	α-helix	trans	-59.2	-51.4	179.5	-59.8	0	0	0	0	111.5	V109 V111 S115 Y116 Y117 P195	V109-T113 WeakPolarHBondContact O-CB 3.36Å; V109-T113 PolarHBondContact O-N 2.95Å; V109-T113 PolarHBondContact O-OG1 3.26Å; V111-T113 VanDerWaalsContact C-N 3.35Å; V111-T113 PolarHBondContact O-N 2.74Å; T113-S115 VanDerWaalsContact C-N 3.33Å; T113-S115 PolarHBondContact O-N 2.56Å; T113-Y116 PolarHBondContact O-N 2.89Å; T113-Y117 HydrophobicContact CG2-CD2 3.56Å; T113-Y117 HydrophobicContact CG2-CE2 3.31Å; T113-Y117 WeakPolarHBondContact O-CD2 3.24Å; T113-Y117 PolarHBondContact O-N 2.85Å; T113-P195 VanDerWaalsContact OG1-CB 3.27Å; T113-P195 WeakPolarHBondContact OG1-CB 3.36Å
114	S	98.3	Very high	96	Very high	49 Å²	49	57 Å²	57	34%	0.343	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-41.5	-179.4	-59.6	0	0	0	0	111.5	G110 V111 E118	G110-S114 VanDerWaalsContact O-CB 3.27Å; G110-S114 WeakPolarHBondContact O-CB 3.37Å; G110-S114 PolarHBondContact O-N 3.42Å; G110-S114 PolarHBondContact O-OG 2.86Å; V111-S114 PolarHBondContact O-N 2.97Å; S114-E118 PolarHBondContact O-N 3.01Å; S114-E118 VanDerWaalsContact O-N 3.12Å
115	S	98.1	Very high	95.6	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-47.8	176	-65.3	0	0	0	0	111.8	C94 L97 V111 L112 T113 Y117 E118 L119	C94-S115 VanDerWaalsContact CA-OG 3.29Å; C94-S115 WeakPolarHBondContact CA-OG 3.46Å; C94-S115 PolarHBondContact N-OG 3.24Å; C94-S115 VanDerWaalsContact N-OG 3.13Å; C94-S115 VanDerWaalsContact SG-CB 3.59Å; C94-S115 PolarHBondContact SG-OG 2.71Å; L97-S115 WeakPolarHBondContact CD1-OG 3.13Å; V111-S115 WeakPolarHBondContact O-CB 3.48Å; V111-S115 PolarHBondContact O-N 3.4Å; V111-S115 PolarHBondContact O-OG 3.34Å; V111-S115 VanDerWaalsContact O-OG 3.06Å; L112-S115 PolarHBondContact O-N 3.26Å; T113-S115 VanDerWaalsContact C-N 3.33Å; T113-S115 PolarHBondContact O-N 2.56Å; S115-Y117 PolarHBondContact O-N 2.83Å; S115-E118 PolarHBondContact O-N 2.93Å; S115-L119 WeakPolarHBondContact O-CD1 3.28Å; S115-L119 PolarHBondContact O-N 3.4Å
116	Y	98.2	Very high	95.5	Very high	17 Å²	17	56.8 Å²	56.8	7%	0.067	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-43	-179.8	-178.7	-127.8	0	0	0	112.5	F86 L112 T113 E118 L119 L120 L179 S180 I181 S192 P195	F86-Y116 HydrophobicContact CZ-CD2 4.33Å; F86-Y116 HydrophobicContact CZ-CE2 4.11Å; L112-Y116 WeakPolarHBondContact O-CB 3.37Å; L112-Y116 PolarHBondContact O-N 3.33Å; T113-Y116 PolarHBondContact O-N 2.89Å; Y116-E118 VanDerWaalsContact C-N 3.32Å; Y116-E118 PolarHBondContact O-N 2.95Å; Y116-L119 WeakPolarHBondContact O-CB 3.47Å; Y116-L119 PolarHBondContact O-N 3.4Å; Y116-L119 VanDerWaalsContact O-N 3.14Å; Y116-L120 HydrophobicContact CD1-CD1 4.02Å; Y116-L120 HydrophobicContact CE1-CD1 3.75Å; Y116-L120 HydrophobicContact CE1-CG 4.46Å; Y116-L120 HydrophobicContact CE2-CD1 4.39Å; Y116-L120 HydrophobicContact CE2-CD2 4.47Å; Y116-L120 HydrophobicContact CE2-CG 4.24Å; Y116-L120 HydrophobicContact CG-CD1 4.49Å; Y116-L120 WeakPolarHBondContact O-CG 3.41Å; Y116-L120 PolarHBondContact O-N 2.97Å; Y116-L179 HydrophobicContact CD1-CD2 4.02Å; Y116-L179 HydrophobicContact CD2-CB 3.96Å; Y116-L179 HydrophobicContact CD2-CD1 3.96Å; Y116-L179 HydrophobicContact CD2-CD2 4.43Å; Y116-L179 HydrophobicContact CD2-CG 4.34Å; Y116-L179 HydrophobicContact CE1-CD2 4.1Å; Y116-L179 HydrophobicContact CE2-CB 3.85Å; Y116-L179 HydrophobicContact CG-CD1 3.91Å; Y116-L179 HydrophobicContact CG-CD2 4.17Å; Y116-L179 HydrophobicContact CG-CG 4.43Å; Y116-S180 PolarHBondContact OH-O 2.8Å; Y116-I181 HydrophobicContact CE2-CG1 4.12Å; Y116-S192 PolarHBondContact OH-OG 3.35Å; Y116-P195 HydrophobicContact CD1-CG 3.59Å; Y116-P195 HydrophobicContact CE1-CG 4.35Å; Y116-P195 HydrophobicContact CG-CG 4.28Å
117	Y	97.3	Very high	95.4	Very high	119 Å²	119	55.8 Å²	55.8	47%	0.467	29%	0.289	S	S	.	.	H	α-helix	trans	-64.1	-34.5	175.5	-78.1	-57.9	0	0	0	113.3	T113 S115 L120 Q121	T113-Y117 HydrophobicContact CG2-CD2 3.56Å; T113-Y117 HydrophobicContact CG2-CE2 3.31Å; T113-Y117 WeakPolarHBondContact O-CD2 3.24Å; T113-Y117 PolarHBondContact O-N 2.85Å; S115-Y117 PolarHBondContact O-N 2.83Å; Y117-L120 HydrophobicContact CD1-CD1 3.86Å; Y117-L120 HydrophobicContact CE1-CD1 4.29Å; Y117-L120 PolarHBondContact O-N 2.87Å; Y117-Q121 WeakPolarHBondContact O-CG 3.11Å; Y117-Q121 PolarHBondContact O-N 2.82Å
118	E	96.9	Very high	95.4	Very high	54 Å²	54	52.2 Å²	52.2	25%	0.252	27%	0.27	S	S	.	.	H	α-helix	trans	-65.7	-39.9	172.1	-75.8	-167.6	-172	0	0	111.8	T93 R96 R102 S114 S115 Y116 L120 Q121 N122	T93-E118 HydrophobicContact CG2-CB 4.21Å; T93-E118 WeakPolarHBondContact CG2-OE2 3.26Å; R96-E118 IonicContact CZ-OE1 3.42Å; R96-E118 IonicContact CZ-OE2 3.96Å; R96-E118 IonicContact NH2-OE1 3.73Å; R96-E118 PolarHBondContact NH2-OE1 2.98Å; R96-E118 IonicContact NH2-OE2 3.11Å; R96-E118 PolarHBondContact NH2-OE2 2.87Å; R102-E118 IonicContact NH1-OE1 2.8Å; R102-E118 PolarHBondContact NH1-OE1 3.06Å; R102-E118 IonicContact NH2-OE1 2.73Å; S114-E118 PolarHBondContact O-N 3.01Å; S114-E118 VanDerWaalsContact O-N 3.12Å; S115-E118 PolarHBondContact O-N 2.93Å; Y116-E118 VanDerWaalsContact C-N 3.32Å; Y116-E118 PolarHBondContact O-N 2.95Å; E118-L120 VanDerWaalsContact C-N 3.34Å; E118-L120 PolarHBondContact O-N 2.83Å; E118-Q121 PolarHBondContact O-N 2.98Å; E118-N122 PolarHBondContact O-N 2.78Å
119	L	95.9	Very high	95.4	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-42.2	175.3	-90.9	66.2	0	0	0	111.7	F86 T89 L90 T93 S115 Y116 Q121 N122 L126 I181	F86-L119 HydrophobicContact CE2-CD2 4.46Å; F86-L119 HydrophobicContact CZ-CD2 4.41Å; T89-L119 HydrophobicContact CG2-CD1 4.09Å; T89-L119 HydrophobicContact CG2-CG 4.21Å; L90-L119 HydrophobicContact CB-CD2 4.06Å; L90-L119 HydrophobicContact CD1-CD2 4.2Å; T93-L119 HydrophobicContact CG2-CD1 4.34Å; S115-L119 WeakPolarHBondContact O-CD1 3.28Å; S115-L119 PolarHBondContact O-N 3.4Å; Y116-L119 WeakPolarHBondContact O-CB 3.47Å; Y116-L119 PolarHBondContact O-N 3.4Å; Y116-L119 VanDerWaalsContact O-N 3.14Å; L119-Q121 PolarHBondContact O-N 2.89Å; L119-N122 WeakPolarHBondContact O-CB 3.24Å; L119-N122 PolarHBondContact O-N 2.8Å; L119-L126 HydrophobicContact CD2-CD2 3.83Å; L119-L126 HydrophobicContact CG-CD2 4.07Å; L119-I181 HydrophobicContact CB-CD1 3.92Å
120	L	94.4	Very high	95.4	Very high	81 Å²	81	51.1 Å²	51.1	42%	0.424	26%	0.264	S	S	.	.	H	α-helix	trans	-61.6	-27.7	176.9	-74.7	167.6	0	0	0	113.3	Y116 Y117 E118 I181	Y116-L120 HydrophobicContact CD1-CD1 4.02Å; Y116-L120 HydrophobicContact CE1-CD1 3.75Å; Y116-L120 HydrophobicContact CE1-CG 4.46Å; Y116-L120 HydrophobicContact CE2-CD1 4.39Å; Y116-L120 HydrophobicContact CE2-CD2 4.47Å; Y116-L120 HydrophobicContact CE2-CG 4.24Å; Y116-L120 HydrophobicContact CG-CD1 4.49Å; Y116-L120 WeakPolarHBondContact O-CG 3.41Å; Y116-L120 PolarHBondContact O-N 2.97Å; Y117-L120 HydrophobicContact CD1-CD1 3.86Å; Y117-L120 HydrophobicContact CE1-CD1 4.29Å; Y117-L120 PolarHBondContact O-N 2.87Å; E118-L120 VanDerWaalsContact C-N 3.34Å; E118-L120 PolarHBondContact O-N 2.83Å; L120-I181 HydrophobicContact CD2-CD1 4.06Å; L120-I181 HydrophobicContact CD2-CG1 3.7Å; L120-I181 HydrophobicContact CG-CD1 4.31Å; L120-I181 HydrophobicContact CG-CG1 4.38Å
121	Q	93.4	Very high	95.4	Very high	156 Å²	156	50.4 Å²	50.4	73%	0.729	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	2.2	-177.6	-67.6	175.9	12.2	0	0	113.5	Y117 E118 L119 K123	Y117-Q121 WeakPolarHBondContact O-CG 3.11Å; Y117-Q121 PolarHBondContact O-N 2.82Å; E118-Q121 PolarHBondContact O-N 2.98Å; L119-Q121 PolarHBondContact O-N 2.89Å; Q121-K123 PolarHBondContact O-N 2.8Å
122	N	90.3	Very high	95.4	Very high	74 Å²	74	50.3 Å²	50.3	40%	0.396	26%	0.255	S	S	.	.			trans	-62	136.2	177.7	-80.5	-24.6	0	0	0	111.5	E118 L119 V124	E118-N122 PolarHBondContact O-N 2.78Å; L119-N122 WeakPolarHBondContact O-CB 3.24Å; L119-N122 PolarHBondContact O-N 2.8Å; N122-V124 WeakPolarHBondContact CB-O 3.43Å; N122-V124 PolarHBondContact O-N 3.02Å
123	K	86.5	Confident	95.5	Very high	213 Å²	213	50.3 Å²	50.3	93%	0.926	26%	0.255	S	S	*	.	S	Bend	trans	-59.1	-33.8	179	-67	-175.1	180	-179.7	0	112.9	Q121	Q121-K123 PolarHBondContact O-N 2.8Å
124	V	88.4	Confident	95.5	Very high	118 Å²	118	49.3 Å²	49.3	72%	0.715	25%	0.249	S	C	*	.	S	Bend	trans	-106.6	114.9	171.5	-180	0	0	0	0	106	N122 L126	N122-V124 WeakPolarHBondContact CB-O 3.43Å; N122-V124 PolarHBondContact O-N 3.02Å; V124-L126 PolarHBondContact O-N 3.47Å
125	P	89.3	Confident	95.5	Very high	84 Å²	84	47 Å²	47	55%	0.545	23%	0.233	S	C	.	.			trans	-57.3	125.9	179.9	-26.2	34.8	0	0	0	111	L127	P125-L127 VanDerWaalsContact C-N 3.34Å; P125-L127 HydrophobicContact CB-CD2 4.05Å; P125-L127 PolarHBondContact O-N 3.47Å; P125-L127 VanDerWaalsContact O-N 3.17Å
126	L	94.1	Very high	95.5	Very high	18 Å²	18	47 Å²	47	9%	0.094	23%	0.233	C	C	.	.			trans	-86.2	80.9	174	-176.1	69.6	0	0	0	108.5	Q85 F86 T89 L119 V124 I181	Q85-L126 HydrophobicContact CB-CD1 3.83Å; F86-L126 HydrophobicContact CD2-CD2 4.47Å; F86-L126 HydrophobicContact CD2-CG 4.43Å; T89-L126 VanDerWaalsContact CB-CD2 3.44Å; T89-L126 HydrophobicContact CG2-CD2 3.8Å; L119-L126 HydrophobicContact CD2-CD2 3.83Å; L119-L126 HydrophobicContact CG-CD2 4.07Å; V124-L126 PolarHBondContact O-N 3.47Å; L126-I181 WeakPolarHBondContact O-CB 3.16Å
127	L	95.9	Very high	95.6	Very high	50 Å²	50	46.1 Å²	46.1	26%	0.262	23%	0.23	S	C	.	.			trans	-61.3	143	179	-55.8	-175.9	0	0	0	110.4	V81 P125 I181 P183	V81-L127 HydrophobicContact CG1-CB 4.09Å; V81-L127 WeakPolarHBondContact CG1-O 3.35Å; V81-L127 HydrophobicContact CG2-CB 4Å; V81-L127 HydrophobicContact CG2-CD1 4.31Å; P125-L127 VanDerWaalsContact C-N 3.34Å; P125-L127 HydrophobicContact CB-CD2 4.05Å; P125-L127 PolarHBondContact O-N 3.47Å; P125-L127 VanDerWaalsContact O-N 3.17Å; L127-I181 WeakPolarHBondContact CA-O 3.37Å; L127-I181 HydrophobicContact CD2-CG2 4.26Å; L127-P183 HydrophobicContact CD1-CB 4.11Å; L127-P183 HydrophobicContact CD1-CG 4.5Å; L127-P183 HydrophobicContact CD2-CB 4.2Å
128	G	96.9	Very high	95.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.9	-178.9	-178	0	0	0	0	0	112.3	W76 F86 S180 I181	W76-G128 VanDerWaalsContact CE2-C 3.43Å; W76-G128 VanDerWaalsContact CE2-CA 3.41Å; W76-G128 VanDerWaalsContact NE1-C 3.29Å; F86-G128 VanDerWaalsContact CD2-C 3.4Å; F86-G128 WeakPolarHBondContact CD2-O 3.44Å; F86-G128 WeakPolarHBondContact CE2-O 3.35Å; G128-S180 WeakPolarHBondContact O-CA 3.42Å; G128-I181 PolarHBondContact N-O 3.01Å; G128-I181 PolarHBondContact O-N 3.13Å
129	S	97.9	Very high	95.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	159.7	170.9	63.7	0	0	0	0	111.4	G72 V73 W76 Q178 L179 S180	G72-S129 WeakPolarHBondContact CA-O 3.35Å; V73-S129 VanDerWaalsContact CB-OG 3.29Å; V73-S129 WeakPolarHBondContact CB-OG 3.42Å; V73-S129 VanDerWaalsContact CG2-OG 3.29Å; V73-S129 WeakPolarHBondContact CG2-OG 3.43Å; V73-S129 PolarHBondContact N-O 3.33Å; W76-S129 PolarHBondContact NE1-OG 2.82Å; S129-Q178 PolarHBondContact OG-OE1 2.77Å; S129-L179 CarbonylContact C-O 3.58Å; S129-L179 WeakPolarHBondContact CA-O 3.48Å; S129-L179 WeakPolarHBondContact CB-O 3.4Å; S129-S180 WeakPolarHBondContact CB-OG 3.08Å
130	S	98.4	Very high	94.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	157.7	172.4	73.5	0	0	0	0	112.1	D71 F86 L90 Q178 L179	D71-S130 CarbonylContact O-C 3.6Å; D71-S130 WeakPolarHBondContact O-CA 3.42Å; D71-S130 WeakPolarHBondContact O-CB 3.2Å; F86-S130 WeakPolarHBondContact CD1-OG 3.36Å; F86-S130 WeakPolarHBondContact CE1-OG 3.28Å; L90-S130 WeakPolarHBondContact CD2-OG 3.07Å; S130-Q178 WeakPolarHBondContact O-CA 3.37Å; S130-L179 PolarHBondContact N-O 2.86Å; S130-L179 PolarHBondContact O-N 2.9Å
131	T	98.6	Very high	94.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.			trans	-71.5	171.7	157.3	64.8	0	0	0	0	109.8	A70 D71 L149 S152 P176	A70-T131 WeakPolarHBondContact CA-O 3.24Å; A70-T131 WeakPolarHBondContact CB-O 3.38Å; D71-T131 WeakPolarHBondContact CB-OG1 3.32Å; D71-T131 PolarHBondContact N-OG1 3Å; D71-T131 VanDerWaalsContact N-OG1 3.13Å; D71-T131 PolarHBondContact O-N 3.46Å; T131-L149 CarbonylContact C-O 3.58Å; T131-L149 WeakPolarHBondContact CA-O 3.36Å; T131-L149 VanDerWaalsContact CB-O 3.31Å; T131-L149 WeakPolarHBondContact CB-O 3.18Å; T131-S152 PolarHBondContact OG1-OG 3.14Å; T131-P176 HydrophobicContact CG2-CB 3.79Å; T131-P176 HydrophobicContact CG2-CG 3.8Å
132	A	98.6	Very high	94.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	129.4	170.5	0	0	0	0	0	112.2	V69 L90 M91 L112 L149	V69-A132 WeakPolarHBondContact O-CA 3.49Å; L90-A132 HydrophobicContact CD2-CB 4.11Å; M91-A132 HydrophobicContact CE-CB 4.49Å; L112-A132 HydrophobicContact CD1-CB 3.5Å; L112-A132 VanDerWaalsContact CD1-CB 3.5Å; L112-A132 HydrophobicContact CD2-CB 4.18Å; A132-L149 PolarHBondContact N-O 2.6Å; A132-L149 PolarHBondContact O-N 3.47Å
133	C	98.8	Very high	95.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.4	168.4	179.8	0	0	0	0	109.6	G68 V69 A147 N148 T213	G68-C133 CarbonylContact C-O 3.55Å; G68-C133 WeakPolarHBondContact CA-O 3.41Å; V69-C133 HydrophobicContact CG2-CB 3.85Å; V69-C133 PolarHBondContact N-O 3.33Å; V69-C133 PolarHBondContact O-N 3.41Å; C133-A147 CarbonylContact C-O 3.55Å; C133-A147 WeakPolarHBondContact CA-O 3.43Å; C133-N148 VanDerWaalsContact CB-OD1 3.28Å; C133-N148 WeakPolarHBondContact CB-OD1 3.32Å; C133-T213 HydrophobicContact CB-CG2 4.44Å
134	I	98.8	Very high	95.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.7	177.3	-52.6	-59.6	0	0	0	109.2	F57 V66 M91 P108 L112 V136 T146 A147	F57-I134 HydrophobicContact CE1-CD1 3.85Å; F57-I134 HydrophobicContact CZ-CD1 4.23Å; V66-I134 HydrophobicContact CG1-CG2 4.05Å; M91-I134 HydrophobicContact CE-CD1 4.11Å; P108-I134 HydrophobicContact CB-CB 4.28Å; P108-I134 HydrophobicContact CB-CG2 4Å; L112-I134 HydrophobicContact CB-CG1 4.46Å; I134-V136 HydrophobicContact CG2-CG2 4.26Å; I134-T146 CarbonylContact O-C 3.59Å; I134-T146 VanDerWaalsContact O-CA 3.26Å; I134-T146 WeakPolarHBondContact O-CA 3.32Å; I134-A147 PolarHBondContact N-O 2.94Å; I134-A147 PolarHBondContact O-N 3.21Å
135	V	98.8	Very high	96.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129	177.2	175.2	0	0	0	0	109	V66 L67 L144 T146 F154 I211 T213	V66-V135 WeakPolarHBondContact CA-O 3.45Å; L67-V135 HydrophobicContact CD1-CB 3.72Å; L67-V135 HydrophobicContact CD1-CG1 4.3Å; L67-V135 HydrophobicContact CD1-CG2 4.18Å; L67-V135 HydrophobicContact CG-CB 3.93Å; L67-V135 HydrophobicContact CG-CG1 4.34Å; L67-V135 PolarHBondContact N-O 3.13Å; L67-V135 PolarHBondContact O-N 3.07Å; V135-L144 HydrophobicContact CG1-CD1 3.63Å; V135-L144 HydrophobicContact CG1-CD2 3.77Å; V135-L144 HydrophobicContact CG1-CG 3.74Å; V135-T146 HydrophobicContact CG1-CG2 4.4Å; V135-T146 HydrophobicContact CG2-CG2 4.04Å; V135-F154 HydrophobicContact CG2-CB 4.25Å; V135-F154 HydrophobicContact CG2-CD1 4.35Å; V135-F154 HydrophobicContact CG2-CG 4.31Å; V135-I211 HydrophobicContact CG1-CG2 4.31Å; V135-T213 HydrophobicContact CG2-CG2 4.25Å
136	V	98.8	Very high	96.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.1	-178.9	180	0	0	0	0	109.1	A64 D65 V66 P105 P108 I134 L144 H145	A64-V136 HydrophobicContact CB-CG1 4.08Å; D65-V136 WeakPolarHBondContact O-CA 3.33Å; V66-V136 HydrophobicContact CB-CG2 4.42Å; V66-V136 HydrophobicContact CG1-CG2 3.79Å; V66-V136 HydrophobicContact CG2-CB 4.45Å; V66-V136 HydrophobicContact CG2-CG1 4.05Å; V66-V136 HydrophobicContact CG2-CG2 4.02Å; P105-V136 HydrophobicContact CB-CG1 4.04Å; P105-V136 VanDerWaalsContact O-CG1 3.27Å; P105-V136 WeakPolarHBondContact O-CG1 3.5Å; P108-V136 HydrophobicContact CB-CG2 3.98Å; I134-V136 HydrophobicContact CG2-CG2 4.26Å; V136-L144 CarbonylContact O-C 3.52Å; V136-L144 WeakPolarHBondContact O-CA 3.49Å; V136-H145 HydrophobicContact CB-CB 4.36Å; V136-H145 PolarHBondContact N-O 2.95Å; V136-H145 PolarHBondContact O-N 2.98Å
137	L	98.5	Very high	96.9	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	111.1	162.9	176.3	66.8	0	0	0	108.4	L29 A64 D65 R139 L144 V205	L29-L137 HydrophobicContact CD1-CB 3.96Å; L29-L137 HydrophobicContact CD2-CB 4.39Å; L29-L137 HydrophobicContact CD2-CD2 3.72Å; L29-L137 HydrophobicContact CG-CB 4Å; L29-L137 HydrophobicContact CG-CD2 3.66Å; L29-L137 HydrophobicContact CG-CG 4.46Å; A64-L137 WeakPolarHBondContact CA-O 3.16Å; A64-L137 WeakPolarHBondContact CB-O 3.44Å; D65-L137 HydrophobicContact CB-CB 4.37Å; D65-L137 PolarHBondContact N-O 2.91Å; D65-L137 VanDerWaalsContact N-O 3.09Å; D65-L137 PolarHBondContact O-N 2.75Å; L137-R139 PolarHBondContact O-N 3.23Å; L137-L144 HydrophobicContact CB-CD1 4.06Å; L137-L144 HydrophobicContact CD1-CD1 4.39Å; L137-V205 HydrophobicContact CD1-CG2 3.58Å
138	D	96.7	Very high	97	Very high	22 Å²	22	16.7 Å²	16.7	12%	0.118	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	109.7	165.3	178.8	-2.9	0	0	0	108.8	P105 Q140 S141 H142 R143	P105-D138 HydrophobicContact CB-CB 3.98Å; D138-Q140 PolarHBondContact O-N 3.13Å; D138-Q140 PolarHBondContact OD1-N 3.27Å; D138-S141 VanDerWaalsContact CB-OG 3.3Å; D138-S141 WeakPolarHBondContact CB-OG 3.37Å; D138-S141 PolarHBondContact OD1-N 3.03Å; D138-S141 WeakPolarHBondContact OD2-CB 3.29Å; D138-S141 PolarHBondContact OD2-OG 2.8Å; D138-H142 WeakPolarHBondContact O-CA 3.28Å; D138-H142 PolarHBondContact O-N 3.2Å; D138-R143 PolarHBondContact N-O 3.46Å; D138-R143 PolarHBondContact O-N 3.46Å
139	R	92.6	Very high	97.1	Very high	3 Å²	3	16.7 Å²	16.7	1%	0.011	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-18.1	-173.7	-55.7	-177.6	172	-170.9	-19.6	113.4	Y27 R60 S63 D65 L137 H142 Y295	Y27-R139 WeakPolarHBondContact O-CB 3.32Å; Y27-R139 WeakPolarHBondContact O-CD 3.49Å; Y27-R139 WeakPolarHBondContact O-CG 3.2Å; R60-R139 VanDerWaalsContact CZ-NH2 3.31Å; S63-R139 WeakPolarHBondContact O-CB 3.46Å; S63-R139 WeakPolarHBondContact O-CG 3.41Å; S63-R139 PolarHBondContact O-N 2.65Å; D65-R139 IonicContact OD1-CZ 3.7Å; D65-R139 IonicContact OD1-NE 3.72Å; D65-R139 IonicContact OD1-NH2 3.47Å; D65-R139 PolarHBondContact OD1-NH2 2.94Å; D65-R139 IonicContact OD2-CZ 3.87Å; D65-R139 IonicContact OD2-NE 2.6Å; D65-R139 PolarHBondContact OD2-NE 2.8Å; D65-R139 IonicContact OD2-NH2 2.85Å; D65-R139 PolarHBondContact OD2-NH2 3.37Å; L137-R139 PolarHBondContact O-N 3.23Å; R139-H142 PolarHBondContact O-CD2 3.49Å; R139-H142 PolarHBondContact O-NE2 3.46Å; R139-Y295 VanDerWaalsContact NH1-CD2 3.32Å
140	Q	85.9	Confident	97.1	Very high	144 Å²	144	16.7 Å²	16.7	67%	0.673	8%	0.08	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-38.3	-179.4	-64.7	-176.8	0.3	0	0	111.6	D138	D138-Q140 PolarHBondContact O-N 3.13Å; D138-Q140 PolarHBondContact OD1-N 3.27Å
141	S	92.2	Very high	97.1	Very high	49 Å²	49	16.8 Å²	16.8	34%	0.343	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-10.9	178.2	65.3	0	0	0	0	113.4	D138 R143	D138-S141 VanDerWaalsContact CB-OG 3.3Å; D138-S141 WeakPolarHBondContact CB-OG 3.37Å; D138-S141 PolarHBondContact OD1-N 3.03Å; D138-S141 WeakPolarHBondContact OD2-CB 3.29Å; D138-S141 PolarHBondContact OD2-OG 2.8Å; S141-R143 PolarHBondContact O-N 3.06Å
142	H	94.7	Very high	97.1	Very high	32 Å²	32	16.8 Å²	16.8	15%	0.148	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	33.5	-174.4	-53	170	0	0	0	112.1	D23 R25 Y27 D138 R139 V205	D23-H142 PolarHBondContact O-CE1 3.19Å; R25-H142 PolarHBondContact O-CE1 3.31Å; R25-H142 VanDerWaalsContact O-CE1 3.31Å; R25-H142 PolarHBondContact O-NE2 3.29Å; Y27-H142 AromaticContact CD1-NE2 3.99Å; Y27-H142 HydrophobicContact CD2-CB 3.98Å; Y27-H142 AromaticContact CD2-CG 3.98Å; Y27-H142 AromaticContact CE1-CE1 3.82Å; Y27-H142 AromaticContact CE1-ND1 3.86Å; Y27-H142 HydrophobicContact CE2-CB 3.99Å; Y27-H142 AromaticContact CG-CD2 3.98Å; Y27-H142 AromaticContact CZ-ND1 3.78Å; D138-H142 WeakPolarHBondContact O-CA 3.28Å; D138-H142 PolarHBondContact O-N 3.2Å; R139-H142 PolarHBondContact O-CD2 3.49Å; R139-H142 PolarHBondContact O-NE2 3.46Å; H142-V205 VanDerWaalsContact O-CG2 3.24Å; H142-V205 WeakPolarHBondContact O-CG2 3.38Å; H142-V205 PolarHBondContact O-N 3.14Å
143	R	97.5	Very high	97	Very high	82 Å²	82	16.8 Å²	16.8	31%	0.309	8%	0.081	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.1	179.7	-66.2	-177.9	73.1	100.4	-2.2	110.8	D138 S141 S202 F203 D204	D138-R143 PolarHBondContact N-O 3.46Å; D138-R143 PolarHBondContact O-N 3.46Å; S141-R143 PolarHBondContact O-N 3.06Å; R143-S202 PolarHBondContact NE-OG 3.18Å; R143-S202 PolarHBondContact NH2-O 3.28Å; R143-S202 VanDerWaalsContact NH2-O 3.14Å; R143-S202 PolarHBondContact NH2-OG 2.92Å; R143-F203 WeakPolarHBondContact CA-O 3.16Å; R143-D204 VanDerWaalsContact CG-OD1 3.32Å; R143-D204 WeakPolarHBondContact CG-OD1 3.37Å; R143-D204 IonicContact CZ-OD1 3.26Å; R143-D204 IonicContact NE-OD1 2.76Å; R143-D204 IonicContact NH1-OD1 2.87Å; R143-D204 PolarHBondContact NH1-OD1 3.21Å; R143-D204 IonicContact NH1-OD2 2.74Å
144	L	98.4	Very high	97	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	135.3	161.9	-149.5	71.8	0	0	0	108.6	V135 V136 L137 T146 V156 S202 F203 V205 I211	V135-L144 HydrophobicContact CG1-CD1 3.63Å; V135-L144 HydrophobicContact CG1-CD2 3.77Å; V135-L144 HydrophobicContact CG1-CG 3.74Å; V136-L144 CarbonylContact O-C 3.52Å; V136-L144 WeakPolarHBondContact O-CA 3.49Å; L137-L144 HydrophobicContact CB-CD1 4.06Å; L137-L144 HydrophobicContact CD1-CD1 4.39Å; L144-T146 HydrophobicContact CD2-CG2 4.22Å; L144-T146 HydrophobicContact CG-CG2 4.38Å; L144-V156 HydrophobicContact CD2-CG2 4.03Å; L144-S202 VanDerWaalsContact O-CA 3.24Å; L144-S202 WeakPolarHBondContact O-CA 3.48Å; L144-S202 PolarHBondContact O-OG 3.36Å; L144-F203 HydrophobicContact CB-CD2 4.26Å; L144-F203 HydrophobicContact CB-CE2 3.79Å; L144-F203 HydrophobicContact CB-CZ 4.02Å; L144-F203 HydrophobicContact CD2-CE2 3.83Å; L144-F203 HydrophobicContact CD2-CZ 3.6Å; L144-F203 HydrophobicContact CG-CE2 4.47Å; L144-F203 HydrophobicContact CG-CZ 4.39Å; L144-F203 PolarHBondContact N-O 3.25Å; L144-F203 PolarHBondContact O-N 3.29Å; L144-V205 HydrophobicContact CB-CG1 3.8Å; L144-I211 HydrophobicContact CD1-CD1 3.72Å; L144-I211 HydrophobicContact CD2-CD1 4.02Å; L144-I211 HydrophobicContact CD2-CG1 4.14Å; L144-I211 HydrophobicContact CD2-CG2 4.32Å
145	H	98.6	Very high	97	Very high	17 Å²	17	17 Å²	17	8%	0.079	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.4	170.7	-60.3	-88.5	0	0	0	108.5	P108 V136 S201 S202	P108-H145 HydrophobicContact CG-CB 3.98Å; V136-H145 HydrophobicContact CB-CB 4.36Å; V136-H145 PolarHBondContact N-O 2.95Å; V136-H145 PolarHBondContact O-N 2.98Å; H145-S201 WeakPolarHBondContact CA-O 3.42Å; H145-S202 PolarHBondContact CE1-OG 2.79Å; H145-S202 WeakPolarHBondContact ND1-CB 3.41Å; H145-S202 PolarHBondContact ND1-OG 3.36Å
146	T	98.6	Very high	97	Very high	1 Å²	1	17 Å²	17	1%	0.006	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152.3	-177.5	71.1	0	0	0	0	111.7	P108 I134 V135 L144 F154 S200 S201	P108-T146 WeakPolarHBondContact CG-O 3.36Å; I134-T146 CarbonylContact O-C 3.59Å; I134-T146 VanDerWaalsContact O-CA 3.26Å; I134-T146 WeakPolarHBondContact O-CA 3.32Å; V135-T146 HydrophobicContact CG1-CG2 4.4Å; V135-T146 HydrophobicContact CG2-CG2 4.04Å; L144-T146 HydrophobicContact CD2-CG2 4.22Å; L144-T146 HydrophobicContact CG-CG2 4.38Å; T146-F154 VanDerWaalsContact CB-CE1 3.42Å; T146-F154 HydrophobicContact CG2-CD1 4.03Å; T146-F154 HydrophobicContact CG2-CD2 4.39Å; T146-F154 HydrophobicContact CG2-CE1 3.55Å; T146-F154 HydrophobicContact CG2-CE2 3.95Å; T146-F154 HydrophobicContact CG2-CG 4.44Å; T146-F154 HydrophobicContact CG2-CZ 3.51Å; T146-F154 VanDerWaalsContact OG1-CE1 3.26Å; T146-F154 WeakPolarHBondContact OG1-CE1 3.43Å; T146-F154 WeakPolarHBondContact OG1-CZ 3.41Å; T146-S200 VanDerWaalsContact O-CA 3.29Å; T146-S200 WeakPolarHBondContact O-CA 3.46Å; T146-S201 PolarHBondContact N-O 3.06Å; T146-S201 PolarHBondContact O-N 2.84Å; T146-S201 PolarHBondContact OG1-N 3.22Å; T146-S201 PolarHBondContact OG1-OG 2.95Å
147	A	98.6	Very high	97	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	116.4	165.9	0	0	0	0	0	108.1	P108 V109 C133 I134 A198 D199	P108-A147 HydrophobicContact CB-CB 3.85Å; P108-A147 HydrophobicContact CG-CB 3.95Å; V109-A147 HydrophobicContact CG2-CB 3.67Å; C133-A147 CarbonylContact C-O 3.55Å; C133-A147 WeakPolarHBondContact CA-O 3.43Å; I134-A147 PolarHBondContact N-O 2.94Å; I134-A147 PolarHBondContact O-N 3.21Å; A147-A198 HydrophobicContact CB-CB 4.23Å; A147-D199 CarbonylContact C-O 3.57Å; A147-D199 WeakPolarHBondContact CA-O 3.21Å
148	N	98.7	Very high	97	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.1	178.1	-170.4	43	0	0	0	110	C133 G150 S152 D167 Q169 A198 D199	C133-N148 VanDerWaalsContact CB-OD1 3.28Å; C133-N148 WeakPolarHBondContact CB-OD1 3.32Å; N148-G150 PolarHBondContact ND2-O 3.48Å; N148-S152 VanDerWaalsContact CG-O 3.3Å; N148-S152 PolarHBondContact ND2-O 3.46Å; N148-S152 PolarHBondContact OD1-O 2.91Å; N148-D167 PolarHBondContact ND2-O 3.1Å; N148-Q169 PolarHBondContact O-OE1 2.97Å; N148-A198 CarbonylContact O-C 3.47Å; N148-A198 VanDerWaalsContact O-CA 3.24Å; N148-A198 WeakPolarHBondContact O-CA 3.37Å; N148-D199 PolarHBondContact N-O 3.44Å; N148-D199 PolarHBondContact O-N 2.99Å
149	L	98.7	Very high	96.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	110.9	172.2	-170.7	81.8	0	0	0	108.9	L112 T131 A132 F177 L179 D193 A197 A198	L112-L149 HydrophobicContact CD2-CB 4.29Å; T131-L149 CarbonylContact C-O 3.58Å; T131-L149 WeakPolarHBondContact CA-O 3.36Å; T131-L149 VanDerWaalsContact CB-O 3.31Å; T131-L149 WeakPolarHBondContact CB-O 3.18Å; A132-L149 PolarHBondContact N-O 2.6Å; A132-L149 PolarHBondContact O-N 3.47Å; L149-F177 HydrophobicContact CD1-CB 4.08Å; L149-F177 HydrophobicContact CD1-CD1 4.34Å; L149-F177 HydrophobicContact CG-CB 4.17Å; L149-L179 HydrophobicContact CD2-CD2 3.55Å; L149-L179 HydrophobicContact CD2-CG 3.55Å; L149-D193 HydrophobicContact CD1-CB 4.35Å; L149-A197 HydrophobicContact CD1-CB 4.11Å; L149-A198 HydrophobicContact CB-CB 4.07Å; L149-A198 HydrophobicContact CD1-CB 4.28Å
150	G	98.4	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	103.1	-149.1	-178.1	0	0	0	0	0	113.4	N148 Q169 F177	N148-G150 PolarHBondContact ND2-O 3.48Å; G150-Q169 CarbonylContact C-O 3.55Å; G150-Q169 WeakPolarHBondContact CA-O 3.49Å; G150-Q169 PolarHBondContact O-N 2.93Å; G150-F177 VanDerWaalsContact CA-O 3.23Å; G150-F177 WeakPolarHBondContact CA-O 3.49Å
151	D	97.9	Very high	97.6	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.016	14%	0.141	C	C	.	.	S	Bend	trans	-114.2	9.1	-174.7	50.9	8	0	0	0	114.2	E168 Q170 P176 D216	D151-E168 HydrophobicContact CB-CB 4.2Å; D151-E168 HydrophobicContact CB-CG 4.11Å; D151-Q170 HydrophobicContact CB-CG 4.49Å; D151-Q170 PolarHBondContact OD2-NE2 3.28Å; D151-P176 HydrophobicContact CB-CB 4.38Å; D151-P176 VanDerWaalsContact OD1-CB 3.31Å; D151-P176 WeakPolarHBondContact OD1-CB 3.12Å; D151-P176 WeakPolarHBondContact OD2-CB 3.47Å; D151-D216 HydrophobicContact CB-CB 4.45Å
152	S	98.3	Very high	97.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.			trans	-61.1	171.9	148.3	-72.3	0	0	0	0	110.1	T131 N148	T131-S152 PolarHBondContact OG1-OG 3.14Å; N148-S152 VanDerWaalsContact CG-O 3.3Å; N148-S152 PolarHBondContact ND2-O 3.46Å; N148-S152 PolarHBondContact OD1-O 2.91Å
153	G	98.4	Very high	98	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	-169.5	178.9	0	0	0	0	0	116.6	S166 T213 A214	G153-S166 WeakPolarHBondContact CA-OG 3.41Å; G153-T213 WeakPolarHBondContact O-CA 3.23Å; G153-A214 PolarHBondContact N-O 2.89Å; G153-A214 PolarHBondContact O-N 3.15Å
154	F	98.7	Very high	98.1	Very high	4 Å²	4	29 Å²	29	2%	0.018	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	159.2	177	71.1	-87.3	0	0	0	113	V135 T146 V156 H164 S166 F203 L212 T213	V135-F154 HydrophobicContact CG2-CB 4.25Å; V135-F154 HydrophobicContact CG2-CD1 4.35Å; V135-F154 HydrophobicContact CG2-CG 4.31Å; T146-F154 VanDerWaalsContact CB-CE1 3.42Å; T146-F154 HydrophobicContact CG2-CD1 4.03Å; T146-F154 HydrophobicContact CG2-CD2 4.39Å; T146-F154 HydrophobicContact CG2-CE1 3.55Å; T146-F154 HydrophobicContact CG2-CE2 3.95Å; T146-F154 HydrophobicContact CG2-CG 4.44Å; T146-F154 HydrophobicContact CG2-CZ 3.51Å; T146-F154 VanDerWaalsContact OG1-CE1 3.26Å; T146-F154 WeakPolarHBondContact OG1-CE1 3.43Å; T146-F154 WeakPolarHBondContact OG1-CZ 3.41Å; F154-V156 HydrophobicContact CD2-CG2 4.06Å; F154-V156 HydrophobicContact CE2-CG2 4.26Å; F154-H164 HydrophobicContact CE2-CB 4.45Å; F154-S166 PolarHBondContact N-OG 2.9Å; F154-S166 PolarHBondContact O-N 2.89Å; F154-S166 PolarHBondContact O-OG 2.92Å; F154-F203 HydrophobicContact CE2-CE1 4.06Å; F154-F203 AromaticContact CE2-CZ 3.98Å; F154-F203 HydrophobicContact CE2-CZ 3.98Å; F154-F203 HydrophobicContact CZ-CE1 4.34Å; F154-L212 CarbonylContact C-O 3.4Å; F154-L212 WeakPolarHBondContact CA-O 3.31Å; F154-L212 WeakPolarHBondContact CB-O 3.36Å; F154-T213 HydrophobicContact CB-CG2 4.47Å
155	L	98.1	Very high	98	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.6	174.3	-171.3	83.3	0	0	0	108.3	V157 V162 H164 R165 I211 L212 I227	L155-V157 HydrophobicContact CD2-CG2 3.5Å; L155-V157 VanDerWaalsContact CD2-CG2 3.5Å; L155-V157 HydrophobicContact CG-CG2 3.92Å; L155-V162 HydrophobicContact CD1-CB 4.11Å; L155-V162 HydrophobicContact CD1-CG1 3.31Å; L155-V162 HydrophobicContact CD1-CG2 3.65Å; L155-V162 HydrophobicContact CD2-CG2 4.1Å; L155-V162 HydrophobicContact CG-CG1 4.12Å; L155-V162 HydrophobicContact CG-CG2 4.14Å; L155-H164 CarbonylContact C-O 3.59Å; L155-H164 WeakPolarHBondContact CA-O 3.03Å; L155-R165 HydrophobicContact CD1-CB 4.24Å; L155-R165 HydrophobicContact CD1-CG 4.36Å; L155-I211 WeakPolarHBondContact O-CA 3.21Å; L155-L212 HydrophobicContact CB-CB 4.21Å; L155-L212 HydrophobicContact CB-CD2 4.27Å; L155-L212 HydrophobicContact CD2-CD2 4.46Å; L155-L212 PolarHBondContact N-O 3.11Å; L155-L212 PolarHBondContact O-N 3.05Å; L155-I227 HydrophobicContact CD2-CG2 4.03Å
156	V	98.6	Very high	98	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.5	168.9	-172.9	0	0	0	0	109	L144 F154 V163 H164 F203 D209 I210 I211	L144-V156 HydrophobicContact CD2-CG2 4.03Å; F154-V156 HydrophobicContact CD2-CG2 4.06Å; F154-V156 HydrophobicContact CE2-CG2 4.26Å; V156-V163 HydrophobicContact CB-CG2 4.06Å; V156-V163 HydrophobicContact CG1-CG2 3.82Å; V156-V163 WeakPolarHBondContact O-CG2 3.39Å; V156-V163 PolarHBondContact O-N 3.11Å; V156-H164 HydrophobicContact CB-CB 4.07Å; V156-H164 HydrophobicContact CG2-CB 4.18Å; V156-H164 PolarHBondContact N-O 2.85Å; V156-H164 PolarHBondContact O-N 2.86Å; V156-F203 HydrophobicContact CB-CE2 4.38Å; V156-F203 HydrophobicContact CG1-CE2 4.41Å; V156-F203 HydrophobicContact CG2-CE2 3.79Å; V156-F203 HydrophobicContact CG2-CZ 3.61Å; V156-D209 HydrophobicContact CG1-CB 4.34Å; V156-I210 CarbonylContact C-O 3.53Å; V156-I210 WeakPolarHBondContact CA-O 3.4Å; V156-I211 HydrophobicContact CG1-CG1 4.33Å; V156-I211 HydrophobicContact CG2-CG1 4.14Å
157	V	98.6	Very high	97.9	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.03	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.9	-177	-179.7	0	0	0	0	109.2	L155 E161 V162 I210 L228 L231	L155-V157 HydrophobicContact CD2-CG2 3.5Å; L155-V157 VanDerWaalsContact CD2-CG2 3.5Å; L155-V157 HydrophobicContact CG-CG2 3.92Å; V157-E161 CarbonylContact C-O 3.54Å; V157-E161 VanDerWaalsContact CA-O 3.24Å; V157-E161 WeakPolarHBondContact CA-O 3.17Å; V157-V162 HydrophobicContact CG2-CG2 4.45Å; V157-I210 HydrophobicContact CB-CB 4.3Å; V157-I210 PolarHBondContact N-O 2.9Å; V157-I210 PolarHBondContact O-N 3.32Å; V157-L228 HydrophobicContact CB-CD2 4.36Å; V157-L228 HydrophobicContact CG1-CD2 3.71Å; V157-L228 HydrophobicContact CG2-CD2 3.64Å; V157-L231 HydrophobicContact CB-CD1 4.33Å; V157-L231 HydrophobicContact CG2-CD1 3.78Å
158	R	97.8	Very high	97.7	Very high	50 Å²	50	41 Å²	41	19%	0.189	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.3	176.2	-175.1	173.7	-61.2	160.4	9	108.6	G160 E161 V163 D204 E206 D209	R158-G160 PolarHBondContact O-N 2.87Å; R158-E161 PolarHBondContact N-O 2.98Å; R158-E161 PolarHBondContact O-N 3.42Å; R158-V163 HydrophobicContact CB-CB 4.48Å; R158-V163 HydrophobicContact CB-CG1 3.67Å; R158-V163 HydrophobicContact CB-CG2 3.93Å; R158-D204 PolarHBondContact NH2-O 3.13Å; R158-E206 VanDerWaalsContact CZ-CD 3.45Å; R158-E206 IonicContact CZ-OE1 2.56Å; R158-E206 VanDerWaalsContact CZ-OE1 3.23Å; R158-E206 IonicContact NE-OE1 2.89Å; R158-E206 IonicContact NE-OE2 3.56Å; R158-E206 IonicContact NH1-OE1 3.68Å; R158-E206 PolarHBondContact NH1-OE1 3.15Å; R158-D209 WeakPolarHBondContact CB-OD1 3.37Å; R158-D209 VanDerWaalsContact CG-OD1 3.28Å; R158-D209 WeakPolarHBondContact CG-OD1 3.1Å; R158-D209 IonicContact CZ-OD1 3.14Å; R158-D209 IonicContact CZ-OD2 2.66Å; R158-D209 IonicContact NE-OD1 3.23Å; R158-D209 PolarHBondContact NE-OD1 2.84Å; R158-D209 IonicContact NE-OD2 2.68Å; R158-D209 PolarHBondContact NE-OD2 3.46Å; R158-D209 IonicContact NH2-OD1 3.79Å; R158-D209 IonicContact NH2-OD2 3.81Å; R158-D209 PolarHBondContact NH2-OD2 3.27Å
159	E	95.5	Very high	97.7	Very high	191 Å²	191	42.6 Å²	42.6	89%	0.893	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	28.9	-179.9	-59.9	-172	152.2	0	0	114.6
160	G	95.5	Very high	97.5	Very high	30 Å²	30	44.9 Å²	44.9	31%	0.309	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	1.7	179.3	0	0	0	0	0	115.4	R158	R158-G160 PolarHBondContact O-N 2.87Å
161	E	97.6	Very high	97.4	Very high	134 Å²	134	48.2 Å²	48.2	63%	0.626	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	147.8	177.6	-62.5	-60.4	144	0	0	111.2	V157 R158 V163	V157-E161 CarbonylContact C-O 3.54Å; V157-E161 VanDerWaalsContact CA-O 3.24Å; V157-E161 WeakPolarHBondContact CA-O 3.17Å; R158-E161 PolarHBondContact N-O 2.98Å; R158-E161 PolarHBondContact O-N 3.42Å; E161-V163 PolarHBondContact O-N 3.41Å
162	V	98.3	Very high	97.1	Very high	48 Å²	48	54.8 Å²	54.8	29%	0.291	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	114.8	174.8	178.9	0	0	0	0	108.9	L155 V157 R165 L228	L155-V162 HydrophobicContact CD1-CB 4.11Å; L155-V162 HydrophobicContact CD1-CG1 3.31Å; L155-V162 HydrophobicContact CD1-CG2 3.65Å; L155-V162 HydrophobicContact CD2-CG2 4.1Å; L155-V162 HydrophobicContact CG-CG1 4.12Å; L155-V162 HydrophobicContact CG-CG2 4.14Å; V157-V162 HydrophobicContact CG2-CG2 4.45Å; V162-R165 HydrophobicContact CG1-CB 4.21Å; V162-L228 HydrophobicContact CG2-CD1 4.14Å; V162-L228 HydrophobicContact CG2-CD2 4.05Å; V162-L228 HydrophobicContact CG2-CG 4.34Å
163	V	98.2	Very high	96.9	Very high	58 Å²	58	56.8 Å²	56.8	35%	0.352	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-27.7	176.5	-68.6	0	0	0	0	112.5	V156 R158 E161	V156-V163 HydrophobicContact CB-CG2 4.06Å; V156-V163 HydrophobicContact CG1-CG2 3.82Å; V156-V163 WeakPolarHBondContact O-CG2 3.39Å; V156-V163 PolarHBondContact O-N 3.11Å; R158-V163 HydrophobicContact CB-CB 4.48Å; R158-V163 HydrophobicContact CB-CG1 3.67Å; R158-V163 HydrophobicContact CB-CG2 3.93Å; E161-V163 PolarHBondContact O-N 3.41Å
164	H	98.1	Very high	96.6	Very high	69 Å²	69	59.7 Å²	59.7	32%	0.319	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	142.4	173.2	-65.7	-80.9	0	0	0	110.9	F154 L155 V156 F203	F154-H164 HydrophobicContact CE2-CB 4.45Å; L155-H164 CarbonylContact C-O 3.59Å; L155-H164 WeakPolarHBondContact CA-O 3.03Å; V156-H164 HydrophobicContact CB-CB 4.07Å; V156-H164 HydrophobicContact CG2-CB 4.18Å; V156-H164 PolarHBondContact N-O 2.85Å; V156-H164 PolarHBondContact O-N 2.86Å; H164-F203 HydrophobicContact CB-CE1 4.01Å; H164-F203 HydrophobicContact CB-CE2 4.32Å; H164-F203 HydrophobicContact CB-CZ 3.85Å; H164-F203 AromaticContact CD2-CD1 3.99Å; H164-F203 AromaticContact CD2-CD2 3.39Å; H164-F203 WeakPolarHBondContact CD2-CD2 3Å; H164-F203 AromaticContact CD2-CE2 3.53Å; H164-F203 AromaticContact CD2-CG 3.63Å; H164-F203 AromaticContact CD2-CZ 3.89Å; H164-F203 AromaticContact CE1-CD1 3.79Å; H164-F203 AromaticContact CE1-CG 3.63Å; H164-F203 AromaticContact CG-CD1 3.86Å; H164-F203 AromaticContact CG-CE1 3.76Å; H164-F203 AromaticContact CG-CE2 3.94Å; H164-F203 AromaticContact CG-CG 4Å; H164-F203 AromaticContact CG-CZ 3.79Å; H164-F203 AromaticContact ND1-CD1 3.72Å; H164-F203 AromaticContact ND1-CE1 3.98Å; H164-F203 AromaticContact ND1-CG 3.98Å; H164-F203 AromaticContact NE2-CD1 3.96Å; H164-F203 AromaticContact NE2-CD2 3.51Å; H164-F203 AromaticContact NE2-CG 3.39Å; H164-F203 WeakPolarHBondContact NE2-CG 3.4Å
165	R	97.8	Very high	96.5	Very high	72 Å²	72	60.8 Å²	60.8	27%	0.272	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	133.3	176.6	179.4	80.2	178	69.4	-2.6	106.7	L155 V162 E168 F219 D224	L155-R165 HydrophobicContact CD1-CB 4.24Å; L155-R165 HydrophobicContact CD1-CG 4.36Å; V162-R165 HydrophobicContact CG1-CB 4.21Å; R165-E168 IonicContact NH2-OE1 2.67Å; R165-F219 VanDerWaalsContact NH2-CD1 3.34Å; R165-D224 IonicContact NE-OD1 3.94Å; R165-D224 PolarHBondContact NE-OD1 3.36Å; R165-D224 IonicContact NE-OD2 2.7Å
166	S	97.9	Very high	96.4	Very high	4 Å²	4	61.5 Å²	61.5	3%	0.028	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-69.5	144.3	171	59.2	0	0	0	0	110.9	G153 F154	G153-S166 WeakPolarHBondContact CA-OG 3.41Å; F154-S166 PolarHBondContact N-OG 2.9Å; F154-S166 PolarHBondContact O-N 2.89Å; F154-S166 PolarHBondContact O-OG 2.92Å
167	D	95.9	Very high	96.4	Very high	116 Å²	116	63.7 Å²	63.7	62%	0.62	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-83.1	140.3	167.9	-66.8	-39.9	0	0	0	110	N148	N148-D167 PolarHBondContact ND2-O 3.1Å
168	E	95.3	Very high	96.4	Very high	77 Å²	77	64.1 Å²	64.1	36%	0.36	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-78.7	139	175.5	-68.7	169.4	-160.9	0	0	110.3	D151 R165	D151-E168 HydrophobicContact CB-CB 4.2Å; D151-E168 HydrophobicContact CB-CG 4.11Å; R165-E168 IonicContact NH2-OE1 2.67Å
169	Q	97.2	Very high	96.4	Very high	34 Å²	34	61.8 Å²	61.8	16%	0.159	30%	0.303	C	S	.	.			trans	-111.6	113.8	178.5	-60.3	-176.4	-51	0	0	110.6	N148 G150 P176 F177 A197	N148-Q169 PolarHBondContact O-OE1 2.97Å; G150-Q169 CarbonylContact C-O 3.55Å; G150-Q169 WeakPolarHBondContact CA-O 3.49Å; G150-Q169 PolarHBondContact O-N 2.93Å; Q169-P176 WeakPolarHBondContact O-CA 3.43Å; Q169-F177 HydrophobicContact CB-CB 4.03Å; Q169-F177 HydrophobicContact CB-CD2 3.77Å; Q169-F177 HydrophobicContact CB-CE2 4.39Å; Q169-F177 HydrophobicContact CB-CG 3.88Å; Q169-F177 PolarHBondContact O-N 3.05Å; Q169-A197 PolarHBondContact NE2-O 3.13Å
170	Q	96	Very high	96.5	Very high	47 Å²	47	53 Å²	53	22%	0.22	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145	179.2	-63.7	-174.2	-22	0	0	111.5	D151 T175	D151-Q170 HydrophobicContact CB-CG 4.49Å; D151-Q170 PolarHBondContact OD2-NE2 3.28Å; Q170-T175 CarbonylContact C-O 3.4Å; Q170-T175 WeakPolarHBondContact CA-O 3.49Å
171	H	95.2	Very high	96.5	Very high	70 Å²	70	52.2 Å²	52.2	32%	0.324	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-37	172.7	-68.1	-73.9	0	0	0	111.3	T175 F177 D193	H171-T175 PolarHBondContact N-O 3.48Å; H171-F177 AromaticContact CD2-CD2 3.9Å; H171-F177 AromaticContact CE1-CD2 3.92Å; H171-F177 AromaticContact CE1-CE2 3.69Å; H171-F177 AromaticContact CE1-CZ 3.74Å; H171-F177 AromaticContact ND1-CE2 3.8Å; H171-F177 AromaticContact NE2-CD2 3.7Å; H171-F177 AromaticContact NE2-CE2 3.95Å; H171-F177 AromaticContact NE2-CG 3.84Å; H171-D193 IonicContact CD2-OD2 3.79Å; H171-D193 IonicContact CE1-OD1 2.83Å; H171-D193 PolarHBondContact CE1-OD1 3.35Å; H171-D193 IonicContact CE1-OD2 3.65Å; H171-D193 IonicContact NE2-OD1 3.01Å; H171-D193 PolarHBondContact NE2-OD1 3.08Å; H171-D193 VanDerWaalsContact NE2-OD1 3.15Å; H171-D193 IonicContact NE2-OD2 2.79Å; H171-D193 PolarHBondContact NE2-OD2 2.87Å
172	Y	92.4	Very high	96.2	Very high	141 Å²	141	47.2 Å²	47.2	55%	0.553	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-158.9	169.8	175.1	36	-89.3	0	0	0	108	N174 T175	Y172-N174 PolarHBondContact O-N 3.04Å; Y172-T175 HydrophobicContact CD2-CG2 4.07Å; Y172-T175 WeakPolarHBondContact CD2-OG1 3.19Å; Y172-T175 HydrophobicContact CE1-CG2 4.19Å; Y172-T175 HydrophobicContact CE2-CG2 3.46Å; Y172-T175 VanDerWaalsContact CE2-CG2 3.46Å; Y172-T175 WeakPolarHBondContact CE2-OG1 3.46Å; Y172-T175 PolarHBondContact O-N 3.13Å
173	F	93.3	Very high	95.7	Very high	43 Å²	43	46.3 Å²	46.3	19%	0.189	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.7	124.3	-177.6	173.2	-100.7	0	0	0	112.3	T175 F266 F269 A270 N273 L275	F173-T175 PolarHBondContact O-N 3.03Å; F173-F266 HydrophobicContact CE1-CE2 4.16Å; F173-F266 HydrophobicContact CE1-CZ 4.13Å; F173-F266 HydrophobicContact CE2-CE2 4.28Å; F173-F266 HydrophobicContact CZ-CD2 4.14Å; F173-F266 HydrophobicContact CZ-CE1 4.47Å; F173-F266 AromaticContact CZ-CE2 3.5Å; F173-F266 HydrophobicContact CZ-CE2 3.5Å; F173-F266 AromaticContact CZ-CZ 3.69Å; F173-F266 HydrophobicContact CZ-CZ 3.69Å; F173-F269 AromaticContact CD2-CD1 3.47Å; F173-F269 HydrophobicContact CD2-CD1 3.47Å; F173-F269 VanDerWaalsContact CD2-CD1 3.47Å; F173-F269 AromaticContact CD2-CE1 3.64Å; F173-F269 HydrophobicContact CD2-CE1 3.64Å; F173-F269 HydrophobicContact CD2-CG 4.2Å; F173-F269 HydrophobicContact CD2-CZ 4.48Å; F173-F269 HydrophobicContact CE2-CB 4.26Å; F173-F269 AromaticContact CE2-CD1 3.51Å; F173-F269 HydrophobicContact CE2-CD1 3.51Å; F173-F269 HydrophobicContact CE2-CE1 4.16Å; F173-F269 HydrophobicContact CE2-CG 4.1Å; F173-A270 HydrophobicContact CE1-CB 4.16Å; F173-A270 HydrophobicContact CE2-CB 3.95Å; F173-A270 HydrophobicContact CZ-CB 3.46Å; F173-A270 VanDerWaalsContact CZ-CB 3.46Å; F173-N273 HydrophobicContact CB-CB 4.27Å; F173-N273 HydrophobicContact CD2-CB 4.24Å; F173-N273 HydrophobicContact CG-CB 4.24Å; F173-L275 HydrophobicContact CD1-CD1 3.72Å; F173-L275 HydrophobicContact CE1-CD1 3.51Å; F173-L275 HydrophobicContact CZ-CD1 4.36Å
174	N	93.2	Very high	95.1	Very high	60 Å²	60	48.3 Å²	48.3	32%	0.321	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	36.2	178.1	-168.3	68.1	0	0	0	113	Y172 F266 K281	Y172-N174 PolarHBondContact O-N 3.04Å; N174-F266 HydrophobicContact CB-CE2 4.05Å; N174-F266 WeakPolarHBondContact OD1-CE2 3.25Å; N174-K281 WeakPolarHBondContact OD1-CE 3.24Å; N174-K281 PolarHBondContact OD1-NZ 3Å; N174-K281 VanDerWaalsContact OD1-NZ 3.17Å
175	T	95.4	Very high	94.5	Very high	28 Å²	28	53.2 Å²	53.2	17%	0.172	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	91.5	170.6	-61.6	0	0	0	0	109.9	Q170 H171 Y172 F173 L191	Q170-T175 CarbonylContact C-O 3.4Å; Q170-T175 WeakPolarHBondContact CA-O 3.49Å; H171-T175 PolarHBondContact N-O 3.48Å; Y172-T175 HydrophobicContact CD2-CG2 4.07Å; Y172-T175 WeakPolarHBondContact CD2-OG1 3.19Å; Y172-T175 HydrophobicContact CE1-CG2 4.19Å; Y172-T175 HydrophobicContact CE2-CG2 3.46Å; Y172-T175 VanDerWaalsContact CE2-CG2 3.46Å; Y172-T175 WeakPolarHBondContact CE2-OG1 3.46Å; Y172-T175 PolarHBondContact O-N 3.13Å; F173-T175 PolarHBondContact O-N 3.03Å; T175-L191 HydrophobicContact CG2-CD1 3.38Å
176	P	97.3	Very high	93.9	Very high	14 Å²	14	51.2 Å²	51.2	9%	0.091	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	158	-174.7	26.1	-32.8	0	0	0	113.1	T131 D151 Q169 Q178	T131-P176 HydrophobicContact CG2-CB 3.79Å; T131-P176 HydrophobicContact CG2-CG 3.8Å; D151-P176 HydrophobicContact CB-CB 4.38Å; D151-P176 VanDerWaalsContact OD1-CB 3.31Å; D151-P176 WeakPolarHBondContact OD1-CB 3.12Å; D151-P176 WeakPolarHBondContact OD2-CB 3.47Å; Q169-P176 WeakPolarHBondContact O-CA 3.43Å; P176-Q178 PolarHBondContact O-NE2 2.95Å
177	F	98.4	Very high	93	Very high	47 Å²	47	58.8 Å²	58.8	21%	0.206	30%	0.299	C	S	.	.			trans	-57.8	137.5	157.9	-80.7	-124	0	0	0	109.1	L149 G150 Q169 H171 D193 A197	L149-F177 HydrophobicContact CD1-CB 4.08Å; L149-F177 HydrophobicContact CD1-CD1 4.34Å; L149-F177 HydrophobicContact CG-CB 4.17Å; G150-F177 VanDerWaalsContact CA-O 3.23Å; G150-F177 WeakPolarHBondContact CA-O 3.49Å; Q169-F177 HydrophobicContact CB-CB 4.03Å; Q169-F177 HydrophobicContact CB-CD2 3.77Å; Q169-F177 HydrophobicContact CB-CE2 4.39Å; Q169-F177 HydrophobicContact CB-CG 3.88Å; Q169-F177 PolarHBondContact O-N 3.05Å; H171-F177 AromaticContact CD2-CD2 3.9Å; H171-F177 AromaticContact CE1-CD2 3.92Å; H171-F177 AromaticContact CE1-CE2 3.69Å; H171-F177 AromaticContact CE1-CZ 3.74Å; H171-F177 AromaticContact ND1-CE2 3.8Å; H171-F177 AromaticContact NE2-CD2 3.7Å; H171-F177 AromaticContact NE2-CE2 3.95Å; H171-F177 AromaticContact NE2-CG 3.84Å; F177-D193 WeakPolarHBondContact CA-OD2 3.19Å; F177-D193 HydrophobicContact CD1-CB 4.04Å; F177-D193 WeakPolarHBondContact CD1-OD1 3.4Å; F177-A197 HydrophobicContact CD1-CB 4.3Å; F177-A197 HydrophobicContact CE1-CB 4.38Å
178	Q	97.9	Very high	92.2	Very high	14 Å²	14	57.2 Å²	57.2	7%	0.065	31%	0.31	C	S	.	.			trans	-153	143	-170.8	60	-167.5	-95	0	0	112.4	V73 S129 S130 P176 L191 D193	V73-Q178 HydrophobicContact CG2-CB 4.45Å; S129-Q178 PolarHBondContact OG-OE1 2.77Å; S130-Q178 WeakPolarHBondContact O-CA 3.37Å; P176-Q178 PolarHBondContact O-NE2 2.95Å; Q178-L191 HydrophobicContact CG-CB 4.34Å; Q178-D193 PolarHBondContact N-OD2 2.66Å; Q178-D193 PolarHBondContact O-N 3.25Å
179	L	98	Very high	91.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	135	166	-61.6	179.8	0	0	0	108.7	F86 L90 L112 Y116 S129 S130 L149 D193 P195	F86-L179 HydrophobicContact CE1-CB 4.1Å; F86-L179 WeakPolarHBondContact CE1-O 3.43Å; F86-L179 HydrophobicContact CZ-CB 4.06Å; F86-L179 WeakPolarHBondContact CZ-O 3.34Å; L90-L179 HydrophobicContact CD1-CD1 4.35Å; L90-L179 HydrophobicContact CD2-CD1 4.1Å; L112-L179 HydrophobicContact CD1-CD1 3.63Å; L112-L179 HydrophobicContact CD2-CD1 4.44Å; L112-L179 HydrophobicContact CG-CD1 4.02Å; Y116-L179 HydrophobicContact CD1-CD2 4.02Å; Y116-L179 HydrophobicContact CD2-CB 3.96Å; Y116-L179 HydrophobicContact CD2-CD1 3.96Å; Y116-L179 HydrophobicContact CD2-CD2 4.43Å; Y116-L179 HydrophobicContact CD2-CG 4.34Å; Y116-L179 HydrophobicContact CE1-CD2 4.1Å; Y116-L179 HydrophobicContact CE2-CB 3.85Å; Y116-L179 HydrophobicContact CG-CD1 3.91Å; Y116-L179 HydrophobicContact CG-CD2 4.17Å; Y116-L179 HydrophobicContact CG-CG 4.43Å; S129-L179 CarbonylContact C-O 3.58Å; S129-L179 WeakPolarHBondContact CA-O 3.48Å; S129-L179 WeakPolarHBondContact CB-O 3.4Å; S130-L179 PolarHBondContact N-O 2.86Å; S130-L179 PolarHBondContact O-N 2.9Å; L149-L179 HydrophobicContact CD2-CD2 3.55Å; L149-L179 HydrophobicContact CD2-CG 3.55Å; L179-D193 WeakPolarHBondContact CD2-O 3.36Å; L179-P195 HydrophobicContact CD2-CB 4.44Å; L179-P195 HydrophobicContact CD2-CG 3.74Å
180	S	96.8	Very high	91.2	Very high	6 Å²	6	58.1 Å²	58.1	4%	0.042	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	134.8	-174.6	-54.4	0	0	0	0	113.2	Y116 G128 S129 L191 S192	Y116-S180 PolarHBondContact OH-O 2.8Å; G128-S180 WeakPolarHBondContact O-CA 3.42Å; S129-S180 WeakPolarHBondContact CB-OG 3.08Å; S180-L191 WeakPolarHBondContact CB-O 3.37Å; S180-L191 PolarHBondContact OG-O 2.8Å; S180-S192 PolarHBondContact N-OG 3.4Å; S180-S192 PolarHBondContact O-OG 2.9Å; S180-S192 VanDerWaalsContact O-OG 3.08Å
181	I	95.6	Very high	91	Very high	14 Å²	14	58.6 Å²	58.6	7%	0.072	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	105.8	166.5	-62.4	174.1	0	0	0	107.3	F86 Y116 L119 L120 L126 L127 G128	F86-I181 HydrophobicContact CE2-CB 4.1Å; F86-I181 HydrophobicContact CE2-CD1 3.93Å; F86-I181 HydrophobicContact CE2-CG1 3.79Å; F86-I181 HydrophobicContact CZ-CG1 4.5Å; Y116-I181 HydrophobicContact CE2-CG1 4.12Å; L119-I181 HydrophobicContact CB-CD1 3.92Å; L120-I181 HydrophobicContact CD2-CD1 4.06Å; L120-I181 HydrophobicContact CD2-CG1 3.7Å; L120-I181 HydrophobicContact CG-CD1 4.31Å; L120-I181 HydrophobicContact CG-CG1 4.38Å; L126-I181 WeakPolarHBondContact O-CB 3.16Å; L127-I181 WeakPolarHBondContact CA-O 3.37Å; L127-I181 HydrophobicContact CD2-CG2 4.26Å; G128-I181 PolarHBondContact N-O 3.01Å; G128-I181 PolarHBondContact O-N 3.13Å
182	A	91.9	Very high	91	Very high	29 Å²	29	58.2 Å²	58.2	24%	0.24	34%	0.341	C	S	.	.			trans	-88.3	151.9	177.3	0	0	0	0	0	111.4	V190	A182-V190 HydrophobicContact CB-CB 4.04Å; A182-V190 HydrophobicContact CB-CG2 3.88Å
183	P	88.1	Confident	91.2	Very high	30 Å²	30	52.6 Å²	52.6	20%	0.195	32%	0.321	C	S	.	.			trans	-63	149.6	166.4	27.8	-32.6	0	0	0	109.7	L127 E185 A186 E187	L127-P183 HydrophobicContact CD1-CB 4.11Å; L127-P183 HydrophobicContact CD1-CG 4.5Å; L127-P183 HydrophobicContact CD2-CB 4.2Å; P183-E185 PolarHBondContact O-N 3.27Å; P183-A186 HydrophobicContact CG-CB 3.88Å; P183-A186 PolarHBondContact O-N 2.92Å; P183-E187 PolarHBondContact O-N 2.93Å
184	P	85.8	Confident	91.4	Very high	100 Å²	100	53.2 Å²	53.2	65%	0.649	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-55	-31	-175.2	-26.7	35.1	0	0	0	114	A186	P184-A186 VanDerWaalsContact C-N 3.27Å; P184-A186 PolarHBondContact O-N 2.85Å
185	E	85.9	Confident	91.5	Very high	172 Å²	172	50.4 Å²	50.4	80%	0.804	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-74.5	-16.1	-179.8	-51.4	81.6	-173.1	0	0	113.5	P183	P183-E185 PolarHBondContact O-N 3.27Å
186	A	83.4	Confident	91.6	Very high	29 Å²	29	54.6 Å²	54.6	24%	0.24	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-114.5	12.7	-179.4	0	0	0	0	0	112.8	P183 P184 G188 A189 V190	P183-A186 HydrophobicContact CG-CB 3.88Å; P183-A186 PolarHBondContact O-N 2.92Å; P184-A186 VanDerWaalsContact C-N 3.27Å; P184-A186 PolarHBondContact O-N 2.85Å; A186-G188 PolarHBondContact O-N 2.84Å; A186-A189 WeakPolarHBondContact O-CB 3.27Å; A186-A189 PolarHBondContact O-N 2.88Å; A186-V190 HydrophobicContact CB-CG2 4.28Å
187	E	78.9	Confident	91.6	Very high	164 Å²	164	55.8 Å²	55.8	77%	0.766	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	129.9	178.6	-162.1	170.4	-162.7	0	0	110.4	P183 A189	P183-E187 PolarHBondContact O-N 2.93Å; E187-A189 PolarHBondContact O-N 3.43Å
188	G	79.4	Confident	91.6	Very high	82 Å²	82	53.9 Å²	53.9	85%	0.845	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	-7.5	-174.1	0	0	0	0	0	115.7	A186	A186-G188 PolarHBondContact O-N 2.84Å
189	A	83.5	Confident	91.6	Very high	87 Å²	87	56 Å²	56	72%	0.719	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-17.4	172.4	0	0	0	0	0	113	A186 E187	A186-A189 WeakPolarHBondContact O-CB 3.27Å; A186-A189 PolarHBondContact O-N 2.88Å; E187-A189 PolarHBondContact O-N 3.43Å
190	V	88.5	Confident	91.6	Very high	43 Å²	43	59.1 Å²	59.1	26%	0.261	37%	0.374	S	S	.	.	S	Bend	trans	-101	136.6	176.1	-176.6	0	0	0	0	109.1	W76 A182 A186 S192	W76-V190 HydrophobicContact CH2-CG1 4.26Å; W76-V190 HydrophobicContact CH2-CG2 4.25Å; W76-V190 HydrophobicContact CZ2-CG1 3.77Å; A182-V190 HydrophobicContact CB-CB 4.04Å; A182-V190 HydrophobicContact CB-CG2 3.88Å; A186-V190 HydrophobicContact CB-CG2 4.28Å; V190-S192 PolarHBondContact O-N 3.45Å
191	L	92.5	Very high	91.6	Very high	57 Å²	57	60.6 Å²	60.6	30%	0.298	38%	0.384	S	S	.	.			trans	-59.6	128.8	171.8	-65.5	175.9	0	0	0	109.6	T175 Q178 S180	T175-L191 HydrophobicContact CG2-CD1 3.38Å; Q178-L191 HydrophobicContact CG-CB 4.34Å; S180-L191 WeakPolarHBondContact CB-O 3.37Å; S180-L191 PolarHBondContact OG-O 2.8Å
192	S	93.8	Very high	91.7	Very high	63 Å²	63	62.1 Å²	62.1	44%	0.441	40%	0.397	S	S	.	.			trans	-148.6	112.5	176.7	-167.6	0	0	0	0	108.3	Y116 S180 V190	Y116-S192 PolarHBondContact OH-OG 3.35Å; S180-S192 PolarHBondContact N-OG 3.4Å; S180-S192 PolarHBondContact O-OG 2.9Å; S180-S192 VanDerWaalsContact O-OG 3.08Å; V190-S192 PolarHBondContact O-N 3.45Å
193	D	97.2	Very high	92	Very high	23 Å²	23	61.6 Å²	61.6	12%	0.123	39%	0.389	C	S	.	.			trans	-94.8	152.5	-179	-63.1	-71.1	0	0	0	110.8	L149 H171 F177 Q178 L179	L149-D193 HydrophobicContact CD1-CB 4.35Å; H171-D193 IonicContact CD2-OD2 3.79Å; H171-D193 IonicContact CE1-OD1 2.83Å; H171-D193 PolarHBondContact CE1-OD1 3.35Å; H171-D193 IonicContact CE1-OD2 3.65Å; H171-D193 IonicContact NE2-OD1 3.01Å; H171-D193 PolarHBondContact NE2-OD1 3.08Å; H171-D193 VanDerWaalsContact NE2-OD1 3.15Å; H171-D193 IonicContact NE2-OD2 2.79Å; H171-D193 PolarHBondContact NE2-OD2 2.87Å; F177-D193 WeakPolarHBondContact CA-OD2 3.19Å; F177-D193 HydrophobicContact CD1-CB 4.04Å; F177-D193 WeakPolarHBondContact CD1-OD1 3.4Å; Q178-D193 PolarHBondContact N-OD2 2.66Å; Q178-D193 PolarHBondContact O-N 3.25Å; L179-D193 WeakPolarHBondContact CD2-O 3.36Å
194	S	96.8	Very high	92.4	Very high	55 Å²	55	64.8 Å²	64.8	39%	0.385	40%	0.404	S	S	.	.			trans	-72	141.8	171.6	-176.8	0	0	0	0	109.7	D196 A197	S194-D196 PolarHBondContact O-N 3.35Å; S194-D196 VanDerWaalsContact O-N 3.1Å; S194-D196 PolarHBondContact OG-N 2.9Å; S194-D196 PolarHBondContact OG-OD2 3.21Å; S194-A197 VanDerWaalsContact O-CB 3.24Å; S194-A197 WeakPolarHBondContact O-CB 3.23Å; S194-A197 PolarHBondContact O-N 3.36Å
195	P	97.1	Very high	92.9	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.013	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-51.1	-30.6	165.7	-26.2	33.5	0	0	0	113.5	L112 T113 Y116 L179 A197 A198	L112-P195 HydrophobicContact CD2-CB 4.45Å; L112-P195 HydrophobicContact CG-CB 4.36Å; T113-P195 VanDerWaalsContact OG1-CB 3.27Å; T113-P195 WeakPolarHBondContact OG1-CB 3.36Å; Y116-P195 HydrophobicContact CD1-CG 3.59Å; Y116-P195 HydrophobicContact CE1-CG 4.35Å; Y116-P195 HydrophobicContact CG-CG 4.28Å; L179-P195 HydrophobicContact CD2-CB 4.44Å; L179-P195 HydrophobicContact CD2-CG 3.74Å; P195-A197 PolarHBondContact O-N 3.25Å; P195-A198 VanDerWaalsContact O-CB 3.23Å; P195-A198 WeakPolarHBondContact O-CB 3.39Å; P195-A198 PolarHBondContact O-N 3.5Å; P195-A198 VanDerWaalsContact O-N 3.14Å
196	D	97.1	Very high	93.4	Very high	116 Å²	116	56.7 Å²	56.7	62%	0.62	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-68.5	-12.9	177.6	-61.2	-53.9	0	0	0	113.5	S194 A198	S194-D196 PolarHBondContact O-N 3.35Å; S194-D196 VanDerWaalsContact O-N 3.1Å; S194-D196 PolarHBondContact OG-N 2.9Å; S194-D196 PolarHBondContact OG-OD2 3.21Å; D196-A198 VanDerWaalsContact C-N 3.25Å
197	A	97.8	Very high	94	Very high	38 Å²	38	58.4 Å²	58.4	31%	0.314	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-79.3	-8.4	173.5	0	0	0	0	0	112.8	L149 Q169 F177 S194 P195 D199	L149-A197 HydrophobicContact CD1-CB 4.11Å; Q169-A197 PolarHBondContact NE2-O 3.13Å; F177-A197 HydrophobicContact CD1-CB 4.3Å; F177-A197 HydrophobicContact CE1-CB 4.38Å; S194-A197 VanDerWaalsContact O-CB 3.24Å; S194-A197 WeakPolarHBondContact O-CB 3.23Å; S194-A197 PolarHBondContact O-N 3.36Å; P195-A197 PolarHBondContact O-N 3.25Å; A197-D199 PolarHBondContact O-N 3.34Å
198	A	98.3	Very high	94.8	Very high	8 Å²	8	52.6 Å²	52.6	7%	0.066	35%	0.348	C	S	.	.	S	Bend	trans	-60.7	128.3	179.4	0	0	0	0	0	111.2	V109 L112 A147 N148 L149 P195 D196 S200	V109-A198 HydrophobicContact CG2-CB 4.39Å; L112-A198 HydrophobicContact CD2-CB 4.46Å; A147-A198 HydrophobicContact CB-CB 4.23Å; N148-A198 CarbonylContact O-C 3.47Å; N148-A198 VanDerWaalsContact O-CA 3.24Å; N148-A198 WeakPolarHBondContact O-CA 3.37Å; L149-A198 HydrophobicContact CB-CB 4.07Å; L149-A198 HydrophobicContact CD1-CB 4.28Å; P195-A198 VanDerWaalsContact O-CB 3.23Å; P195-A198 WeakPolarHBondContact O-CB 3.39Å; P195-A198 PolarHBondContact O-N 3.5Å; P195-A198 VanDerWaalsContact O-N 3.14Å; D196-A198 VanDerWaalsContact C-N 3.25Å; A198-S200 PolarHBondContact O-N 3.04Å; A198-S200 PolarHBondContact O-OG 3.26Å; A198-S200 VanDerWaalsContact O-OG 3.13Å
199	D	98.1	Very high	95.7	Very high	59 Å²	59	48.8 Å²	48.8	32%	0.316	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	127.5	172.1	-178.3	48.4	0	0	0	109.9	A147 N148 A197	A147-D199 CarbonylContact C-O 3.57Å; A147-D199 WeakPolarHBondContact CA-O 3.21Å; N148-D199 PolarHBondContact N-O 3.44Å; N148-D199 PolarHBondContact O-N 2.99Å; A197-D199 PolarHBondContact O-N 3.34Å
200	S	97.1	Very high	96.4	Very high	64 Å²	64	45.7 Å²	45.7	45%	0.448	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129.2	-168.7	-63.6	0	0	0	0	110.8	V109 T146 A198	V109-S200 WeakPolarHBondContact CG2-OG 3.1Å; T146-S200 VanDerWaalsContact O-CA 3.29Å; T146-S200 WeakPolarHBondContact O-CA 3.46Å; A198-S200 PolarHBondContact O-N 3.04Å; A198-S200 PolarHBondContact O-OG 3.26Å; A198-S200 VanDerWaalsContact O-OG 3.13Å
201	S	96.4	Very high	96.9	Very high	37 Å²	37	43.7 Å²	43.7	26%	0.259	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	155.5	-179.2	83.9	0	0	0	0	111.5	H145 T146 F203	H145-S201 WeakPolarHBondContact CA-O 3.42Å; T146-S201 PolarHBondContact N-O 3.06Å; T146-S201 PolarHBondContact O-N 2.84Å; T146-S201 PolarHBondContact OG1-N 3.22Å; T146-S201 PolarHBondContact OG1-OG 2.95Å; S201-F203 WeakPolarHBondContact OG-CE1 3.44Å
202	S	97.9	Very high	97.2	Very high	47 Å²	47	41 Å²	41	33%	0.329	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	130.1	170.8	179.6	0	0	0	0	111.7	R143 L144 H145	R143-S202 PolarHBondContact NE-OG 3.18Å; R143-S202 PolarHBondContact NH2-O 3.28Å; R143-S202 VanDerWaalsContact NH2-O 3.14Å; R143-S202 PolarHBondContact NH2-OG 2.92Å; L144-S202 VanDerWaalsContact O-CA 3.24Å; L144-S202 WeakPolarHBondContact O-CA 3.48Å; L144-S202 PolarHBondContact O-OG 3.36Å; H145-S202 PolarHBondContact CE1-OG 2.79Å; H145-S202 WeakPolarHBondContact ND1-CB 3.41Å; H145-S202 PolarHBondContact ND1-OG 3.36Å
203	F	97.6	Very high	97.4	Very high	17 Å²	17	38 Å²	38	8%	0.075	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	160	-177.1	50	-93.2	0	0	0	110.8	R143 L144 F154 V156 H164 S201 V205	R143-F203 WeakPolarHBondContact CA-O 3.16Å; L144-F203 HydrophobicContact CB-CD2 4.26Å; L144-F203 HydrophobicContact CB-CE2 3.79Å; L144-F203 HydrophobicContact CB-CZ 4.02Å; L144-F203 HydrophobicContact CD2-CE2 3.83Å; L144-F203 HydrophobicContact CD2-CZ 3.6Å; L144-F203 HydrophobicContact CG-CE2 4.47Å; L144-F203 HydrophobicContact CG-CZ 4.39Å; L144-F203 PolarHBondContact N-O 3.25Å; L144-F203 PolarHBondContact O-N 3.29Å; F154-F203 HydrophobicContact CE2-CE1 4.06Å; F154-F203 AromaticContact CE2-CZ 3.98Å; F154-F203 HydrophobicContact CE2-CZ 3.98Å; F154-F203 HydrophobicContact CZ-CE1 4.34Å; V156-F203 HydrophobicContact CB-CE2 4.38Å; V156-F203 HydrophobicContact CG1-CE2 4.41Å; V156-F203 HydrophobicContact CG2-CE2 3.79Å; V156-F203 HydrophobicContact CG2-CZ 3.61Å; H164-F203 HydrophobicContact CB-CE1 4.01Å; H164-F203 HydrophobicContact CB-CE2 4.32Å; H164-F203 HydrophobicContact CB-CZ 3.85Å; H164-F203 AromaticContact CD2-CD1 3.99Å; H164-F203 AromaticContact CD2-CD2 3.39Å; H164-F203 WeakPolarHBondContact CD2-CD2 3Å; H164-F203 AromaticContact CD2-CE2 3.53Å; H164-F203 AromaticContact CD2-CG 3.63Å; H164-F203 AromaticContact CD2-CZ 3.89Å; H164-F203 AromaticContact CE1-CD1 3.79Å; H164-F203 AromaticContact CE1-CG 3.63Å; H164-F203 AromaticContact CG-CD1 3.86Å; H164-F203 AromaticContact CG-CE1 3.76Å; H164-F203 AromaticContact CG-CE2 3.94Å; H164-F203 AromaticContact CG-CG 4Å; H164-F203 AromaticContact CG-CZ 3.79Å; H164-F203 AromaticContact ND1-CD1 3.72Å; H164-F203 AromaticContact ND1-CE1 3.98Å; H164-F203 AromaticContact ND1-CG 3.98Å; H164-F203 AromaticContact NE2-CD1 3.96Å; H164-F203 AromaticContact NE2-CD2 3.51Å; H164-F203 AromaticContact NE2-CG 3.39Å; H164-F203 WeakPolarHBondContact NE2-CG 3.4Å; S201-F203 WeakPolarHBondContact OG-CE1 3.44Å; F203-V205 HydrophobicContact CD2-CG1 4.42Å; F203-V205 HydrophobicContact CE2-CG1 4.24Å
204	D	97.1	Very high	97.5	Very high	98 Å²	98	36.9 Å²	36.9	52%	0.524	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	139.7	179.3	-51.5	-50.7	0	0	0	109.9	R143 R158	R143-D204 VanDerWaalsContact CG-OD1 3.32Å; R143-D204 WeakPolarHBondContact CG-OD1 3.37Å; R143-D204 IonicContact CZ-OD1 3.26Å; R143-D204 IonicContact NE-OD1 2.76Å; R143-D204 IonicContact NH1-OD1 2.87Å; R143-D204 PolarHBondContact NH1-OD1 3.21Å; R143-D204 IonicContact NH1-OD2 2.74Å; R158-D204 PolarHBondContact NH2-O 3.13Å
205	V	96.9	Very high	97.6	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.042	21%	0.207	C	C	.	.			trans	-107.2	157.6	176	-69.1	0	0	0	0	111.4	Y27 L137 H142 L144 F203 D209 V292	Y27-V205 HydrophobicContact CD2-CG2 4Å; Y27-V205 HydrophobicContact CE2-CG2 4.43Å; L137-V205 HydrophobicContact CD1-CG2 3.58Å; H142-V205 VanDerWaalsContact O-CG2 3.24Å; H142-V205 WeakPolarHBondContact O-CG2 3.38Å; H142-V205 PolarHBondContact O-N 3.14Å; L144-V205 HydrophobicContact CB-CG1 3.8Å; F203-V205 HydrophobicContact CD2-CG1 4.42Å; F203-V205 HydrophobicContact CE2-CG1 4.24Å; V205-D209 WeakPolarHBondContact CA-OD2 3.26Å; V205-V292 HydrophobicContact CB-CG2 4.2Å; V205-V292 HydrophobicContact CG2-CG1 4.25Å; V205-V292 HydrophobicContact CG2-CG2 4.32Å
206	E	96	Very high	97.6	Very high	95 Å²	95	34.5 Å²	34.5	44%	0.444	21%	0.208	S	C	.	.			trans	-117.2	153.9	176.4	-65.9	179.7	-150.9	0	0	110.7	R158 G208 D209 V292	R158-E206 VanDerWaalsContact CZ-CD 3.45Å; R158-E206 IonicContact CZ-OE1 2.56Å; R158-E206 VanDerWaalsContact CZ-OE1 3.23Å; R158-E206 IonicContact NE-OE1 2.89Å; R158-E206 IonicContact NE-OE2 3.56Å; R158-E206 IonicContact NH1-OE1 3.68Å; R158-E206 PolarHBondContact NH1-OE1 3.15Å; E206-G208 PolarHBondContact O-N 2.89Å; E206-D209 PolarHBondContact N-OD2 3.49Å; E206-D209 VanDerWaalsContact O-CB 3.27Å; E206-D209 WeakPolarHBondContact O-CB 3.43Å; E206-D209 PolarHBondContact O-N 3.09Å; E206-V292 WeakPolarHBondContact O-CB 3.31Å; E206-V292 WeakPolarHBondContact O-CG1 3.4Å
207	L	95.4	Very high	97.7	Very high	64 Å²	64	29 Å²	29	34%	0.335	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	130.6	172	-70.8	173.9	0	0	0	110.2	Y27 V292 A293 E294	Y27-L207 HydrophobicContact CD1-CD2 3.91Å; Y27-L207 HydrophobicContact CD1-CG 4.47Å; Y27-L207 HydrophobicContact CE1-CD1 4.35Å; Y27-L207 HydrophobicContact CE1-CD2 3.8Å; Y27-L207 HydrophobicContact CE1-CG 3.86Å; Y27-L207 HydrophobicContact CE2-CD2 4.47Å; Y27-L207 HydrophobicContact CE2-CG 4.38Å; Y27-L207 HydrophobicContact CG-CD2 4.33Å; L207-V292 HydrophobicContact CD2-CG1 4.47Å; L207-A293 VanDerWaalsContact CD2-C 3.49Å; L207-E294 HydrophobicContact CD1-CG 3.79Å; L207-E294 HydrophobicContact CD2-CG 3.85Å
208	G	95.9	Very high	97.7	Very high	43 Å²	43	27.1 Å²	27.1	44%	0.443	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-6.7	-176.2	0	0	0	0	0	114.5	E206 I210 V292	E206-G208 PolarHBondContact O-N 2.89Å; G208-I210 PolarHBondContact O-N 3.32Å; G208-V292 PolarHBondContact N-O 3.16Å
209	D	98.1	Very high	97.7	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.011	16%	0.163	C	C	.	.			trans	-56.2	133.7	170.2	-80.3	-8.4	0	0	0	110	V156 R158 V205 E206 I291 V292	V156-D209 HydrophobicContact CG1-CB 4.34Å; R158-D209 WeakPolarHBondContact CB-OD1 3.37Å; R158-D209 VanDerWaalsContact CG-OD1 3.28Å; R158-D209 WeakPolarHBondContact CG-OD1 3.1Å; R158-D209 IonicContact CZ-OD1 3.14Å; R158-D209 IonicContact CZ-OD2 2.66Å; R158-D209 IonicContact NE-OD1 3.23Å; R158-D209 PolarHBondContact NE-OD1 2.84Å; R158-D209 IonicContact NE-OD2 2.68Å; R158-D209 PolarHBondContact NE-OD2 3.46Å; R158-D209 IonicContact NH2-OD1 3.79Å; R158-D209 IonicContact NH2-OD2 3.81Å; R158-D209 PolarHBondContact NH2-OD2 3.27Å; V205-D209 WeakPolarHBondContact CA-OD2 3.26Å; E206-D209 PolarHBondContact N-OD2 3.49Å; E206-D209 VanDerWaalsContact O-CB 3.27Å; E206-D209 WeakPolarHBondContact O-CB 3.43Å; E206-D209 PolarHBondContact O-N 3.09Å; D209-I291 WeakPolarHBondContact O-CA 3.49Å; D209-V292 HydrophobicContact CB-CB 4.24Å; D209-V292 HydrophobicContact CB-CG2 3.86Å; D209-V292 PolarHBondContact O-N 3.44Å
210	I	98.5	Very high	97.7	Very high	22 Å²	22	25 Å²	25	11%	0.113	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.4	177.1	-56.3	175	0	0	0	107.9	V156 V157 G208 L231 L234 L289 S290 I291	V156-I210 CarbonylContact C-O 3.53Å; V156-I210 WeakPolarHBondContact CA-O 3.4Å; V157-I210 HydrophobicContact CB-CB 4.3Å; V157-I210 PolarHBondContact N-O 2.9Å; V157-I210 PolarHBondContact O-N 3.32Å; G208-I210 PolarHBondContact O-N 3.32Å; I210-L231 HydrophobicContact CG2-CD1 4.37Å; I210-L231 HydrophobicContact CG2-CD2 4.01Å; I210-L234 HydrophobicContact CD1-CD2 3.77Å; I210-L234 HydrophobicContact CG1-CD2 4.44Å; I210-L289 HydrophobicContact CG2-CD1 3.48Å; I210-L289 VanDerWaalsContact CG2-CD1 3.48Å; I210-L289 HydrophobicContact CG2-CG 4.42Å; I210-S290 CarbonylContact C-O 3.55Å; I210-S290 WeakPolarHBondContact CA-O 3.38Å; I210-I291 HydrophobicContact CG1-CG1 4.35Å
211	I	98.7	Very high	97.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116	177	-57.7	150.6	0	0	0	107.7	L29 V135 L144 L155 V156 S290 V292	L29-I211 HydrophobicContact CD2-CD1 3.74Å; V135-I211 HydrophobicContact CG1-CG2 4.31Å; L144-I211 HydrophobicContact CD1-CD1 3.72Å; L144-I211 HydrophobicContact CD2-CD1 4.02Å; L144-I211 HydrophobicContact CD2-CG1 4.14Å; L144-I211 HydrophobicContact CD2-CG2 4.32Å; L155-I211 WeakPolarHBondContact O-CA 3.21Å; V156-I211 HydrophobicContact CG1-CG1 4.33Å; V156-I211 HydrophobicContact CG2-CG1 4.14Å; I211-S290 PolarHBondContact N-O 3.02Å; I211-S290 PolarHBondContact O-N 2.76Å; I211-V292 HydrophobicContact CD1-CG2 3.78Å
212	L	98.8	Very high	97.9	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.9	172	179.5	93.5	0	0	0	107.8	F154 L155 L218 F219 I227 I249 V287 L288 L289	F154-L212 CarbonylContact C-O 3.4Å; F154-L212 WeakPolarHBondContact CA-O 3.31Å; F154-L212 WeakPolarHBondContact CB-O 3.36Å; L155-L212 HydrophobicContact CB-CB 4.21Å; L155-L212 HydrophobicContact CB-CD2 4.27Å; L155-L212 HydrophobicContact CD2-CD2 4.46Å; L155-L212 PolarHBondContact N-O 3.11Å; L155-L212 PolarHBondContact O-N 3.05Å; L212-L218 HydrophobicContact CD1-CD2 4.48Å; L212-L218 HydrophobicContact CD2-CD2 3.79Å; L212-L218 HydrophobicContact CG-CD2 4.41Å; L212-F219 HydrophobicContact CD2-CE1 4.32Å; L212-I227 HydrophobicContact CD2-CD1 4.2Å; L212-I227 HydrophobicContact CD2-CG2 3.7Å; L212-I249 HydrophobicContact CD1-CD1 3.92Å; L212-V287 HydrophobicContact CD1-CG1 3.52Å; L212-L288 WeakPolarHBondContact CA-O 3.49Å; L212-L289 HydrophobicContact CB-CD1 4.31Å; L212-L289 HydrophobicContact CD1-CD1 3.93Å
213	T	98.8	Very high	97.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.2	173.9	-55.6	0	0	0	0	108.2	L67 V69 C133 V135 G153 F154 L288	L67-T213 HydrophobicContact CD1-CG2 3.97Å; L67-T213 VanDerWaalsContact CD1-OG1 3.24Å; L67-T213 WeakPolarHBondContact CD1-OG1 3.26Å; V69-T213 HydrophobicContact CG1-CG2 4.06Å; V69-T213 HydrophobicContact CG2-CG2 3.83Å; C133-T213 HydrophobicContact CB-CG2 4.44Å; V135-T213 HydrophobicContact CG2-CG2 4.25Å; G153-T213 WeakPolarHBondContact O-CA 3.23Å; F154-T213 HydrophobicContact CB-CG2 4.47Å; T213-L288 PolarHBondContact N-O 3.28Å; T213-L288 PolarHBondContact O-N 3.25Å
214	A	98.8	Very high	97.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	162.2	-170.8	0	0	0	0	0	112.8	G153 L218 F219 T286 V287	G153-A214 PolarHBondContact N-O 2.89Å; G153-A214 PolarHBondContact O-N 3.15Å; A214-L218 HydrophobicContact CB-CB 3.94Å; A214-L218 HydrophobicContact CB-CD2 3.52Å; A214-L218 HydrophobicContact CB-CG 4.33Å; A214-F219 HydrophobicContact CB-CE2 3.9Å; A214-F219 HydrophobicContact CB-CZ 4.03Å; A214-T286 WeakPolarHBondContact CA-O 3.38Å; A214-T286 VanDerWaalsContact CB-O 3.24Å; A214-T286 WeakPolarHBondContact CB-O 2.99Å; A214-V287 HydrophobicContact CB-CG2 4.36Å
215	T	98.8	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.12	C	C	.	.			trans	-80.9	166.8	168.8	50.1	0	0	0	0	111.2	D54 V69 D71 G217 L218 T286	D54-T215 HydrophobicContact CB-CG2 4.41Å; D54-T215 WeakPolarHBondContact OD2-CB 3.06Å; D54-T215 WeakPolarHBondContact OD2-CG2 3.29Å; D54-T215 PolarHBondContact OD2-OG1 2.89Å; V69-T215 HydrophobicContact CB-CG2 4.09Å; V69-T215 HydrophobicContact CG2-CG2 4.29Å; D71-T215 HydrophobicContact CB-CG2 3.98Å; T215-G217 PolarHBondContact O-N 2.55Å; T215-L218 PolarHBondContact O-N 3.37Å; T215-L218 VanDerWaalsContact O-N 3.13Å; T215-T286 PolarHBondContact N-O 3.4Å; T215-T286 VanDerWaalsContact N-O 3.16Å; T215-T286 PolarHBondContact OG1-N 2.96Å
216	D	98.3	Very high	98.1	Very high	6 Å²	6	23.7 Å²	23.7	3%	0.032	13%	0.125	C	C	.	.	H	α-helix	trans	-57.1	-32.8	-178.8	69.8	-32.3	0	0	0	112.2	D151 L218 F219 D220 K281	D151-D216 HydrophobicContact CB-CB 4.45Å; D216-L218 CarbonylContact O-C 3.58Å; D216-L218 PolarHBondContact O-N 3.13Å; D216-F219 PolarHBondContact O-N 2.7Å; D216-D220 VanDerWaalsContact O-CB 3.31Å; D216-D220 WeakPolarHBondContact O-CB 3.07Å; D216-D220 PolarHBondContact O-N 2.58Å; D216-K281 IonicContact OD2-NZ 3.4Å; D216-K281 PolarHBondContact OD2-NZ 3.49Å
217	G	98.1	Very high	98.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-53.4	-26	176.3	0	0	0	0	0	114.5	T215 N221 D284	T215-G217 PolarHBondContact O-N 2.55Å; G217-N221 PolarHBondContact O-ND2 2.67Å; G217-D284 WeakPolarHBondContact CA-O 3.29Å
218	L	98.7	Very high	98.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-76.3	-58.8	166.3	176.4	63	0	0	0	111.8	L212 A214 T215 D216 D220 N221 M222 I227 I249 A253 V287	L212-L218 HydrophobicContact CD1-CD2 4.48Å; L212-L218 HydrophobicContact CD2-CD2 3.79Å; L212-L218 HydrophobicContact CG-CD2 4.41Å; A214-L218 HydrophobicContact CB-CB 3.94Å; A214-L218 HydrophobicContact CB-CD2 3.52Å; A214-L218 HydrophobicContact CB-CG 4.33Å; T215-L218 PolarHBondContact O-N 3.37Å; T215-L218 VanDerWaalsContact O-N 3.13Å; D216-L218 CarbonylContact O-C 3.58Å; D216-L218 PolarHBondContact O-N 3.13Å; L218-D220 VanDerWaalsContact C-N 3.3Å; L218-D220 PolarHBondContact O-N 2.81Å; L218-N221 CarbonylContact O-C 3.4Å; L218-N221 PolarHBondContact O-N 3.29Å; L218-M222 HydrophobicContact CD1-CB 3.96Å; L218-M222 HydrophobicContact CD1-CG 4.1Å; L218-M222 HydrophobicContact CD1-SD 3.7Å; L218-M222 PolarHBondContact O-N 2.72Å; L218-I227 HydrophobicContact CD2-CD1 4.28Å; L218-I227 HydrophobicContact CG-CD1 4.42Å; L218-I249 HydrophobicContact CD1-CG2 3.64Å; L218-I249 HydrophobicContact CD2-CG2 4.01Å; L218-A253 HydrophobicContact CD1-CB 3.52Å; L218-V287 HydrophobicContact CD2-CG2 4.01Å
219	F	98.4	Very high	98.4	Very high	9 Å²	9	20.1 Å²	20.1	4%	0.039	10%	0.096	C	C	.	.	H	α-helix	trans	-66	-31.3	-169	-63.7	-58.2	0	0	0	113.2	R165 L212 A214 D216 N221 I227 P265	R165-F219 VanDerWaalsContact NH2-CD1 3.34Å; L212-F219 HydrophobicContact CD2-CE1 4.32Å; A214-F219 HydrophobicContact CB-CE2 3.9Å; A214-F219 HydrophobicContact CB-CZ 4.03Å; D216-F219 PolarHBondContact O-N 2.7Å; F219-N221 PolarHBondContact O-N 3.34Å; F219-I227 HydrophobicContact CD1-CD1 4.23Å; F219-I227 HydrophobicContact CE1-CD1 4.23Å; F219-P265 WeakPolarHBondContact O-CB 3.31Å; F219-P265 WeakPolarHBondContact O-CG 3.36Å
220	D	98.3	Very high	98.4	Very high	12 Å²	12	20.5 Å²	20.5	6%	0.064	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.7	174.6	-86.8	-27.2	0	0	0	113.6	D216 L218 S264 P265 F266 K281	D216-D220 VanDerWaalsContact O-CB 3.31Å; D216-D220 WeakPolarHBondContact O-CB 3.07Å; D216-D220 PolarHBondContact O-N 2.58Å; L218-D220 VanDerWaalsContact C-N 3.3Å; L218-D220 PolarHBondContact O-N 2.81Å; D220-S264 VanDerWaalsContact O-CB 3.25Å; D220-S264 WeakPolarHBondContact O-CB 3.34Å; D220-S264 PolarHBondContact O-OG 2.67Å; D220-P265 VanDerWaalsContact O-CD 3.29Å; D220-P265 WeakPolarHBondContact O-CD 3.14Å; D220-F266 HydrophobicContact CB-CB 3.79Å; D220-F266 WeakPolarHBondContact O-CB 3.31Å; D220-F266 PolarHBondContact O-N 2.73Å; D220-K281 HydrophobicContact CB-CB 4.35Å; D220-K281 HydrophobicContact CB-CD 3.9Å; D220-K281 WeakPolarHBondContact OD2-CD 3.39Å; D220-K281 WeakPolarHBondContact OD2-CE 3.43Å; D220-K281 IonicContact OD2-NZ 2.72Å; D220-K281 PolarHBondContact OD2-NZ 2.99Å
221	N	98.6	Very high	98.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-25.3	-174.1	-69.1	-59	0	0	0	113.4	G217 L218 F219 L256 A257 Y262 G280 K281	G217-N221 PolarHBondContact O-ND2 2.67Å; L218-N221 CarbonylContact O-C 3.4Å; L218-N221 PolarHBondContact O-N 3.29Å; F219-N221 PolarHBondContact O-N 3.34Å; N221-L256 HydrophobicContact CB-CB 4.48Å; N221-A257 WeakPolarHBondContact OD1-CA 3.32Å; N221-Y262 WeakPolarHBondContact O-CE1 3.44Å; N221-Y262 PolarHBondContact O-OH 2.93Å; N221-G280 WeakPolarHBondContact OD1-CA 3.48Å; N221-K281 PolarHBondContact ND2-O 3.02Å; N221-K281 PolarHBondContact OD1-N 3.29Å
222	M	98.4	Very high	98.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	13%	0.128	C	C	.	.			trans	-124.6	114.7	-179	-72.9	-172.1	68.1	0	0	111.9	L218 M226 I227 E230 I249 Q252 A253 L256	L218-M222 HydrophobicContact CD1-CB 3.96Å; L218-M222 HydrophobicContact CD1-CG 4.1Å; L218-M222 HydrophobicContact CD1-SD 3.7Å; L218-M222 PolarHBondContact O-N 2.72Å; M222-M226 HydrophobicContact CE-CB 3.81Å; M222-I227 HydrophobicContact CB-CD1 4.39Å; M222-I227 HydrophobicContact CB-CG1 3.97Å; M222-I227 HydrophobicContact CE-CG1 4.24Å; M222-E230 HydrophobicContact CE-CG 4.08Å; M222-I249 HydrophobicContact SD-CG2 4.4Å; M222-Q252 HydrophobicContact CE-CB 4.25Å; M222-Q252 HydrophobicContact CE-CG 4.04Å; M222-Q252 HydrophobicContact SD-CB 4Å; M222-Q252 HydrophobicContact SD-CG 4.09Å; M222-A253 HydrophobicContact CG-CB 3.94Å; M222-A253 HydrophobicContact SD-CB 3.64Å; M222-A253 PolarHBondContact SD-N 3.44Å; M222-A253 VanDerWaalsContact SD-N 3.36Å; M222-L256 HydrophobicContact CG-CD1 3.84Å
223	P	97.9	Very high	98	Very high	29 Å²	29	32.9 Å²	32.9	19%	0.188	15%	0.151	C	C	.	.			trans	-70	156.1	170.3	30.3	-35.5	0	0	0	111	Y225 M226 I227 Y262 P265	P223-Y225 HydrophobicContact CB-CD1 3.81Å; P223-Y225 HydrophobicContact CB-CE1 3.67Å; P223-Y225 HydrophobicContact CG-CD1 3.69Å; P223-Y225 HydrophobicContact CG-CE1 3.17Å; P223-Y225 HydrophobicContact CG-CE2 4.47Å; P223-Y225 PolarHBondContact O-N 3.09Å; P223-M226 HydrophobicContact CG-CB 4.38Å; P223-M226 HydrophobicContact CG-CG 3.95Å; P223-M226 HydrophobicContact CG-SD 4.21Å; P223-M226 WeakPolarHBondContact O-CB 3.48Å; P223-M226 PolarHBondContact O-N 3.21Å; P223-I227 PolarHBondContact O-N 2.8Å; P223-Y262 VanDerWaalsContact CD-OH 3.29Å; P223-Y262 WeakPolarHBondContact CD-OH 3.35Å; P223-P265 HydrophobicContact CB-CG 4.19Å
224	D	98.2	Very high	97.7	Very high	54 Å²	54	34.6 Å²	34.6	29%	0.289	16%	0.16	S	C	.	.	H	α-helix	trans	-48.8	-41.5	-176.4	-69.5	9.8	0	0	0	113.3	R165 M226 I227 L228	R165-D224 IonicContact NE-OD1 3.94Å; R165-D224 PolarHBondContact NE-OD1 3.36Å; R165-D224 IonicContact NE-OD2 2.7Å; D224-M226 VanDerWaalsContact C-N 3.28Å; D224-M226 PolarHBondContact O-N 3.16Å; D224-I227 WeakPolarHBondContact O-CB 3.39Å; D224-I227 PolarHBondContact O-N 3.25Å; D224-I227 VanDerWaalsContact O-N 3.13Å; D224-L228 VanDerWaalsContact O-CG 3.32Å; D224-L228 WeakPolarHBondContact O-CG 3.38Å; D224-L228 PolarHBondContact O-N 3.33Å
225	Y	98	Very high	97.2	Very high	131 Å²	131	42.5 Å²	42.5	51%	0.514	19%	0.194	S	C	.	.	H	α-helix	trans	-63.1	-31.6	-179.7	75.9	-96.9	0	0	0	113.5	P223 Q229	P223-Y225 HydrophobicContact CB-CD1 3.81Å; P223-Y225 HydrophobicContact CB-CE1 3.67Å; P223-Y225 HydrophobicContact CG-CD1 3.69Å; P223-Y225 HydrophobicContact CG-CE1 3.17Å; P223-Y225 HydrophobicContact CG-CE2 4.47Å; P223-Y225 PolarHBondContact O-N 3.09Å; Y225-Q229 VanDerWaalsContact O-CG 3.26Å; Y225-Q229 WeakPolarHBondContact O-CG 3.45Å; Y225-Q229 PolarHBondContact O-N 2.96Å; Y225-Q229 VanDerWaalsContact O-N 3.16Å
226	M	98.5	Very high	96.7	Very high	28 Å²	28	46 Å²	46	14%	0.138	21%	0.213	C	C	.	.	H	α-helix	trans	-74.3	-40.5	174.8	-71.4	-169.5	179.5	0	0	110.5	M222 P223 D224 L228 Q229 E230 L256 Y262	M222-M226 HydrophobicContact CE-CB 3.81Å; P223-M226 HydrophobicContact CG-CB 4.38Å; P223-M226 HydrophobicContact CG-CG 3.95Å; P223-M226 HydrophobicContact CG-SD 4.21Å; P223-M226 WeakPolarHBondContact O-CB 3.48Å; P223-M226 PolarHBondContact O-N 3.21Å; D224-M226 VanDerWaalsContact C-N 3.28Å; D224-M226 PolarHBondContact O-N 3.16Å; M226-L228 VanDerWaalsContact C-N 3.33Å; M226-L228 PolarHBondContact O-N 3Å; M226-Q229 WeakPolarHBondContact O-CB 3.47Å; M226-Q229 PolarHBondContact O-N 3.39Å; M226-Q229 VanDerWaalsContact O-N 3.15Å; M226-E230 PolarHBondContact O-N 3.11Å; M226-E230 VanDerWaalsContact O-N 3.09Å; M226-L256 HydrophobicContact SD-CD1 3.76Å; M226-Y262 HydrophobicContact CE-CE2 4.23Å
227	I	98.7	Very high	96.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.8	-48.5	174	-63.5	173.6	0	0	0	109.8	L155 L212 L218 F219 M222 P223 D224 Q229 E230 L231	L155-I227 HydrophobicContact CD2-CG2 4.03Å; L212-I227 HydrophobicContact CD2-CD1 4.2Å; L212-I227 HydrophobicContact CD2-CG2 3.7Å; L218-I227 HydrophobicContact CD2-CD1 4.28Å; L218-I227 HydrophobicContact CG-CD1 4.42Å; F219-I227 HydrophobicContact CD1-CD1 4.23Å; F219-I227 HydrophobicContact CE1-CD1 4.23Å; M222-I227 HydrophobicContact CB-CD1 4.39Å; M222-I227 HydrophobicContact CB-CG1 3.97Å; M222-I227 HydrophobicContact CE-CG1 4.24Å; P223-I227 PolarHBondContact O-N 2.8Å; D224-I227 WeakPolarHBondContact O-CB 3.39Å; D224-I227 PolarHBondContact O-N 3.25Å; D224-I227 VanDerWaalsContact O-N 3.13Å; I227-Q229 VanDerWaalsContact C-N 3.28Å; I227-Q229 PolarHBondContact O-N 3.41Å; I227-E230 PolarHBondContact O-N 2.94Å; I227-E230 VanDerWaalsContact O-N 3.1Å; I227-L231 HydrophobicContact CG2-CD1 4.12Å; I227-L231 HydrophobicContact CG2-CG 4.39Å; I227-L231 WeakPolarHBondContact O-CG 3.4Å; I227-L231 PolarHBondContact O-N 2.84Å
228	L	98.6	Very high	95.9	Very high	26 Å²	26	53.1 Å²	53.1	14%	0.136	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-35.3	176.7	-67.4	177.9	0	0	0	112.6	V157 V162 D224 M226 L231 K232	V157-L228 HydrophobicContact CB-CD2 4.36Å; V157-L228 HydrophobicContact CG1-CD2 3.71Å; V157-L228 HydrophobicContact CG2-CD2 3.64Å; V162-L228 HydrophobicContact CG2-CD1 4.14Å; V162-L228 HydrophobicContact CG2-CD2 4.05Å; V162-L228 HydrophobicContact CG2-CG 4.34Å; D224-L228 VanDerWaalsContact O-CG 3.32Å; D224-L228 WeakPolarHBondContact O-CG 3.38Å; D224-L228 PolarHBondContact O-N 3.33Å; M226-L228 VanDerWaalsContact C-N 3.33Å; M226-L228 PolarHBondContact O-N 3Å; L228-L231 HydrophobicContact CD2-CD1 4.4Å; L228-L231 PolarHBondContact O-N 3.31Å; L228-K232 WeakPolarHBondContact O-CG 3.45Å; L228-K232 PolarHBondContact O-N 3.42Å; L228-K232 VanDerWaalsContact O-N 3.11Å
229	Q	98.3	Very high	95.6	Very high	101 Å²	101	59 Å²	59	47%	0.472	28%	0.277	S	S	.	.	H	α-helix	trans	-64.5	-39.5	174.7	-76	171.3	16.4	0	0	112.2	Y225 M226 I227 K232	Y225-Q229 VanDerWaalsContact O-CG 3.26Å; Y225-Q229 WeakPolarHBondContact O-CG 3.45Å; Y225-Q229 PolarHBondContact O-N 2.96Å; Y225-Q229 VanDerWaalsContact O-N 3.16Å; M226-Q229 WeakPolarHBondContact O-CB 3.47Å; M226-Q229 PolarHBondContact O-N 3.39Å; M226-Q229 VanDerWaalsContact O-N 3.15Å; I227-Q229 VanDerWaalsContact C-N 3.28Å; I227-Q229 PolarHBondContact O-N 3.41Å; Q229-K232 PolarHBondContact O-N 2.91Å
230	E	98	Very high	95.4	Very high	11 Å²	11	65.4 Å²	65.4	5%	0.051	31%	0.307	C	S	.	.	H	α-helix	trans	-68.9	-40.6	174.5	-68.1	-56	117.6	0	0	112	M222 M226 I227 K232 K233 S248 I249 Q252	M222-E230 HydrophobicContact CE-CG 4.08Å; M226-E230 PolarHBondContact O-N 3.11Å; M226-E230 VanDerWaalsContact O-N 3.09Å; I227-E230 PolarHBondContact O-N 2.94Å; I227-E230 VanDerWaalsContact O-N 3.1Å; E230-K232 PolarHBondContact O-N 3.09Å; E230-K233 VanDerWaalsContact O-CB 3.26Å; E230-K233 WeakPolarHBondContact O-CB 3.28Å; E230-K233 WeakPolarHBondContact O-CG 3.41Å; E230-K233 PolarHBondContact O-N 3.09Å; E230-K233 WeakPolarHBondContact OE1-CE 3.01Å; E230-K233 IonicContact OE1-NZ 3.8Å; E230-K233 PolarHBondContact OE1-NZ 3.41Å; E230-K233 WeakPolarHBondContact OE2-CE 3.32Å; E230-K233 IonicContact OE2-NZ 3.31Å; E230-K233 PolarHBondContact OE2-NZ 3.06Å; E230-S248 WeakPolarHBondContact OE2-CB 3.49Å; E230-S248 PolarHBondContact OE2-OG 3.2Å; E230-I249 HydrophobicContact CB-CD1 4.26Å; E230-I249 HydrophobicContact CB-CG1 3.47Å; E230-I249 VanDerWaalsContact CB-CG1 3.47Å; E230-I249 HydrophobicContact CG-CG1 4.06Å; E230-Q252 PolarHBondContact OE1-OE1 2.88Å
231	L	97.7	Very high	95.3	Very high	10 Å²	10	65.3 Å²	65.3	5%	0.052	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-30.8	177.1	-68.4	178.6	0	0	0	112.7	V157 I210 I227 L228 K233 L234 T245 I249 L289	V157-L231 HydrophobicContact CB-CD1 4.33Å; V157-L231 HydrophobicContact CG2-CD1 3.78Å; I210-L231 HydrophobicContact CG2-CD1 4.37Å; I210-L231 HydrophobicContact CG2-CD2 4.01Å; I227-L231 HydrophobicContact CG2-CD1 4.12Å; I227-L231 HydrophobicContact CG2-CG 4.39Å; I227-L231 WeakPolarHBondContact O-CG 3.4Å; I227-L231 PolarHBondContact O-N 2.84Å; L228-L231 HydrophobicContact CD2-CD1 4.4Å; L228-L231 PolarHBondContact O-N 3.31Å; L231-K233 PolarHBondContact O-N 2.6Å; L231-K233 VanDerWaalsContact O-N 3.13Å; L231-L234 WeakPolarHBondContact O-CB 3.46Å; L231-L234 PolarHBondContact O-N 2.87Å; L231-T245 HydrophobicContact CD2-CG2 4.09Å; L231-I249 HydrophobicContact CD2-CD1 3.78Å; L231-I249 HydrophobicContact CG-CD1 4.32Å; L231-L289 HydrophobicContact CD2-CD1 3.63Å; L231-L289 HydrophobicContact CD2-CD2 4.16Å
232	K	95.6	Very high	95.3	Very high	161 Å²	161	65.3 Å²	65.3	70%	0.7	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.4	172.8	-73.6	170.8	-174.5	179.1	0	114	L228 Q229 E230 L234	L228-K232 WeakPolarHBondContact O-CG 3.45Å; L228-K232 PolarHBondContact O-N 3.42Å; L228-K232 VanDerWaalsContact O-N 3.11Å; Q229-K232 PolarHBondContact O-N 2.91Å; E230-K232 PolarHBondContact O-N 3.09Å; K232-L234 VanDerWaalsContact C-N 3.28Å
233	K	92.6	Very high	95.2	Very high	111 Å²	111	66.8 Å²	66.8	48%	0.483	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-12.5	176.2	-56.7	177.8	-174.3	169.8	0	112.9	E230 L231 K235	E230-K233 VanDerWaalsContact O-CB 3.26Å; E230-K233 WeakPolarHBondContact O-CB 3.28Å; E230-K233 WeakPolarHBondContact O-CG 3.41Å; E230-K233 PolarHBondContact O-N 3.09Å; E230-K233 WeakPolarHBondContact OE1-CE 3.01Å; E230-K233 IonicContact OE1-NZ 3.8Å; E230-K233 PolarHBondContact OE1-NZ 3.41Å; E230-K233 WeakPolarHBondContact OE2-CE 3.32Å; E230-K233 IonicContact OE2-NZ 3.31Å; E230-K233 PolarHBondContact OE2-NZ 3.06Å; L231-K233 PolarHBondContact O-N 2.6Å; L231-K233 VanDerWaalsContact O-N 3.13Å; K233-K235 PolarHBondContact O-N 2.93Å
234	L	93	Very high	95.1	Very high	36 Å²	36	70.9 Å²	70.9	19%	0.188	33%	0.331	C	S	.	.			trans	-62.1	120.2	176.4	-173.9	79.8	0	0	0	109.7	I210 L231 K232 I242 I291	I210-L234 HydrophobicContact CD1-CD2 3.77Å; I210-L234 HydrophobicContact CG1-CD2 4.44Å; L231-L234 WeakPolarHBondContact O-CB 3.46Å; L231-L234 PolarHBondContact O-N 2.87Å; K232-L234 VanDerWaalsContact C-N 3.28Å; L234-I242 HydrophobicContact CD1-CG1 4.03Å; L234-I291 HydrophobicContact CD1-CD1 4.13Å; L234-I291 HydrophobicContact CD2-CD1 3.37Å; L234-I291 HydrophobicContact CD2-CG1 4.39Å; L234-I291 HydrophobicContact CG-CD1 4.26Å
235	K	88.2	Confident	95.1	Very high	167 Å²	167	68.6 Å²	68.6	73%	0.726	32%	0.319	S	S	*	.			trans	-90.4	-34.7	-172.7	-64.6	178	-177.8	169.6	0	113.1	K233 S241	K233-K235 PolarHBondContact O-N 2.93Å; K235-S241 PolarHBondContact N-OG 3.35Å
236	N	89.1	Confident	95.1	Very high	73 Å²	73	62.4 Å²	62.4	39%	0.39	29%	0.294	S	S	.	.	S	Bend	trans	-161.6	-179.3	-177.4	60	51.5	0	0	0	109.8	N238 S241	N236-N238 VanDerWaalsContact C-N 3.31Å; N236-N238 PolarHBondContact ND2-ND2 3.1Å; N236-N238 PolarHBondContact O-N 3.45Å; N236-N238 VanDerWaalsContact OD1-CB 3.28Å; N236-N238 WeakPolarHBondContact OD1-CB 3.42Å; N236-N238 PolarHBondContact OD1-N 3.06Å; N236-N238 PolarHBondContact OD1-ND2 3.19Å; N236-N238 VanDerWaalsContact OD1-ND2 3.14Å; N236-N238 PolarHBondContact OD1-OD1 3.13Å; N236-S241 PolarHBondContact O-OG 2.86Å; N236-S241 WeakPolarHBondContact OD1-CB 2.88Å
237	T	87.6	Confident	95	Very high	83 Å²	83	66.6 Å²	66.6	51%	0.509	31%	0.309	S	S	.	.	S	Bend	trans	-88.5	10	-176.6	59.1	0	0	0	0	114.1	I242 I291	T237-I242 WeakPolarHBondContact O-CD1 3.49Å; T237-I291 HydrophobicContact CG2-CD1 4.35Å; T237-I291 HydrophobicContact CG2-CG2 3.99Å
238	N	91.1	Very high	95	Very high	72 Å²	72	68.1 Å²	68.1	39%	0.385	32%	0.319	S	S	.	.	S	Bend	trans	-78.1	154.1	179.2	82.1	22	0	0	0	111.4	N236 E240 S241 I242	N236-N238 VanDerWaalsContact C-N 3.31Å; N236-N238 PolarHBondContact ND2-ND2 3.1Å; N236-N238 PolarHBondContact O-N 3.45Å; N236-N238 VanDerWaalsContact OD1-CB 3.28Å; N236-N238 WeakPolarHBondContact OD1-CB 3.42Å; N236-N238 PolarHBondContact OD1-N 3.06Å; N236-N238 PolarHBondContact OD1-ND2 3.19Å; N236-N238 VanDerWaalsContact OD1-ND2 3.14Å; N236-N238 PolarHBondContact OD1-OD1 3.13Å; N238-E240 VanDerWaalsContact C-N 3.27Å; N238-E240 PolarHBondContact O-N 3.17Å; N238-E240 PolarHBondContact OD1-N 2.83Å; N238-S241 PolarHBondContact O-N 3.26Å; N238-S241 WeakPolarHBondContact OD1-CB 3.49Å; N238-S241 PolarHBondContact OD1-N 3.07Å; N238-I242 VanDerWaalsContact O-CG1 3.29Å; N238-I242 WeakPolarHBondContact O-CG1 3.3Å; N238-I242 PolarHBondContact O-N 3.05Å; N238-I242 VanDerWaalsContact O-N 3.13Å
239	Y	93.2	Very high	95	Very high	124 Å²	124	66.9 Å²	66.9	49%	0.486	31%	0.313	S	S	.	.	H	α-helix	trans	-56.1	-38.9	-177.6	-179.7	-87	0	0	0	113.1	T31 A32 I242 Q243	T31-Y239 VanDerWaalsContact O-CE2 3.32Å; T31-Y239 WeakPolarHBondContact O-CE2 3.33Å; A32-Y239 HydrophobicContact CB-CD2 4.42Å; A32-Y239 HydrophobicContact CB-CE2 3.91Å; Y239-I242 PolarHBondContact O-N 3.17Å; Y239-Q243 HydrophobicContact CD1-CB 4.32Å; Y239-Q243 HydrophobicContact CE1-CB 3.95Å; Y239-Q243 HydrophobicContact CE1-CG 4.22Å; Y239-Q243 WeakPolarHBondContact O-CB 3.42Å; Y239-Q243 PolarHBondContact O-N 3.14Å; Y239-Q243 PolarHBondContact OH-OE1 2.81Å
240	E	95	Very high	95	Very high	144 Å²	144	62 Å²	62	67%	0.673	29%	0.29	S	S	*	.	H	α-helix	trans	-65.3	-43.5	-177.7	-173.9	178.8	-171.4	0	0	112.1	N238 Q243 Q244	N238-E240 VanDerWaalsContact C-N 3.27Å; N238-E240 PolarHBondContact O-N 3.17Å; N238-E240 PolarHBondContact OD1-N 2.83Å; E240-Q243 PolarHBondContact O-N 3.41Å; E240-Q244 WeakPolarHBondContact O-CB 3.46Å; E240-Q244 PolarHBondContact O-N 3.3Å
241	S	96.1	Very high	94.9	Very high	9 Å²	9	66 Å²	66	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-44.7	175.5	-174.2	0	0	0	0	110.6	K235 N236 N238 Q244 T245	K235-S241 PolarHBondContact N-OG 3.35Å; N236-S241 PolarHBondContact O-OG 2.86Å; N236-S241 WeakPolarHBondContact OD1-CB 2.88Å; N238-S241 PolarHBondContact O-N 3.26Å; N238-S241 WeakPolarHBondContact OD1-CB 3.49Å; N238-S241 PolarHBondContact OD1-N 3.07Å; S241-Q244 PolarHBondContact O-N 3.16Å; S241-T245 PolarHBondContact O-N 3.23Å; S241-T245 PolarHBondContact O-OG1 3.39Å; S241-T245 VanDerWaalsContact O-OG1 3.13Å
242	I	97.1	Very high	94.9	Very high	0 Å²	0	68 Å²	68	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.7	-45.6	178.5	-60.7	165.6	0	0	0	110.3	V30 A32 L234 T237 N238 Y239 Q244 T245 A246 L289 I291	V30-I242 HydrophobicContact CB-CD1 3.77Å; V30-I242 HydrophobicContact CG1-CD1 3.51Å; A32-I242 HydrophobicContact CB-CB 4.32Å; A32-I242 HydrophobicContact CB-CG2 3.78Å; L234-I242 HydrophobicContact CD1-CG1 4.03Å; T237-I242 WeakPolarHBondContact O-CD1 3.49Å; N238-I242 VanDerWaalsContact O-CG1 3.29Å; N238-I242 WeakPolarHBondContact O-CG1 3.3Å; N238-I242 PolarHBondContact O-N 3.05Å; N238-I242 VanDerWaalsContact O-N 3.13Å; Y239-I242 PolarHBondContact O-N 3.17Å; I242-Q244 PolarHBondContact O-N 2.97Å; I242-T245 PolarHBondContact O-N 2.93Å; I242-A246 WeakPolarHBondContact O-CB 3.45Å; I242-A246 PolarHBondContact O-N 2.88Å; I242-L289 HydrophobicContact CG2-CB 4.01Å; I242-L289 HydrophobicContact CG2-CD2 4Å; I242-L289 HydrophobicContact CG2-CG 3.95Å; I242-L289 WeakPolarHBondContact CG2-O 3.34Å; I242-I291 HydrophobicContact CD1-CB 4.28Å; I242-I291 HydrophobicContact CD1-CD1 3.69Å; I242-I291 HydrophobicContact CD1-CG1 3.94Å; I242-I291 HydrophobicContact CG1-CD1 3.56Å; I242-I291 HydrophobicContact CG1-CG1 4.09Å
243	Q	96.6	Very high	95.1	Very high	32 Å²	32	60.3 Å²	60.3	15%	0.15	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-40.3	178.1	-179.9	65.5	76.6	0	0	112.4	A32 S33 Y239 E240 R247	A32-Q243 HydrophobicContact CB-CB 3.83Å; S33-Q243 PolarHBondContact O-NE2 3.35Å; S33-Q243 PolarHBondContact O-OE1 3.07Å; Y239-Q243 HydrophobicContact CD1-CB 4.32Å; Y239-Q243 HydrophobicContact CE1-CB 3.95Å; Y239-Q243 HydrophobicContact CE1-CG 4.22Å; Y239-Q243 WeakPolarHBondContact O-CB 3.42Å; Y239-Q243 PolarHBondContact O-N 3.14Å; Y239-Q243 PolarHBondContact OH-OE1 2.81Å; E240-Q243 PolarHBondContact O-N 3.41Å; Q243-R247 WeakPolarHBondContact O-CB 3.37Å; Q243-R247 PolarHBondContact O-N 3.29Å
244	Q	96.9	Very high	95.3	Very high	116 Å²	116	56.8 Å²	56.8	54%	0.542	27%	0.269	S	S	.	.	H	α-helix	trans	-66.4	-43.4	176.9	-175.2	172.3	20	0	0	111.2	E240 S241 I242 R247 S248	E240-Q244 WeakPolarHBondContact O-CB 3.46Å; E240-Q244 PolarHBondContact O-N 3.3Å; S241-Q244 PolarHBondContact O-N 3.16Å; I242-Q244 PolarHBondContact O-N 2.97Å; Q244-R247 PolarHBondContact O-N 3.43Å; Q244-S248 WeakPolarHBondContact O-CB 3.29Å; Q244-S248 PolarHBondContact O-N 3.42Å
245	T	97.9	Very high	95.4	Very high	6 Å²	6	59.9 Å²	59.9	4%	0.037	29%	0.29	C	S	.	.	H	α-helix	trans	-66	-45	176.7	-60.8	0	0	0	0	111.7	L231 S241 I242 R247 S248 I249 L289	L231-T245 HydrophobicContact CD2-CG2 4.09Å; S241-T245 PolarHBondContact O-N 3.23Å; S241-T245 PolarHBondContact O-OG1 3.39Å; S241-T245 VanDerWaalsContact O-OG1 3.13Å; I242-T245 PolarHBondContact O-N 2.93Å; T245-R247 VanDerWaalsContact C-N 3.27Å; T245-R247 PolarHBondContact O-N 3.41Å; T245-S248 WeakPolarHBondContact O-CB 3.47Å; T245-S248 PolarHBondContact O-N 3Å; T245-S248 VanDerWaalsContact O-N 3.11Å; T245-I249 HydrophobicContact CG2-CD1 4.1Å; T245-I249 WeakPolarHBondContact O-CG1 3.4Å; T245-I249 PolarHBondContact O-N 3.1Å; T245-L289 HydrophobicContact CG2-CD2 3.72Å
246	A	97.7	Very high	95.9	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.5	-41.3	175.8	0	0	0	0	0	112	C34 I242 A250 L289	C34-A246 HydrophobicContact CB-CB 4.34Å; I242-A246 WeakPolarHBondContact O-CB 3.45Å; I242-A246 PolarHBondContact O-N 2.88Å; A246-A250 WeakPolarHBondContact O-CB 3.32Å; A246-A250 PolarHBondContact O-N 3.28Å; A246-A250 VanDerWaalsContact O-N 3.09Å; A246-L289 HydrophobicContact CB-CB 3.84Å; A246-L289 HydrophobicContact CB-CD2 4.33Å
247	R	96.9	Very high	96.3	Very high	117 Å²	117	49.6 Å²	49.6	44%	0.442	24%	0.243	S	C	.	.	H	α-helix	trans	-63.9	-46.8	173.9	-178.8	-179.1	-61.8	142.7	3.5	111.9	C34 Q243 Q244 T245 I249 A250 E251	C34-R247 HydrophobicContact CB-CB 4.48Å; Q243-R247 WeakPolarHBondContact O-CB 3.37Å; Q243-R247 PolarHBondContact O-N 3.29Å; Q244-R247 PolarHBondContact O-N 3.43Å; T245-R247 VanDerWaalsContact C-N 3.27Å; T245-R247 PolarHBondContact O-N 3.41Å; R247-I249 VanDerWaalsContact C-N 3.3Å; R247-I249 PolarHBondContact O-N 3.17Å; R247-A250 PolarHBondContact O-N 2.78Å; R247-E251 VanDerWaalsContact CD-OE1 3.3Å; R247-E251 WeakPolarHBondContact CD-OE1 3.43Å; R247-E251 HydrophobicContact CG-CG 4.03Å; R247-E251 VanDerWaalsContact CG-OE1 3.25Å; R247-E251 WeakPolarHBondContact CG-OE1 3.49Å; R247-E251 WeakPolarHBondContact O-CB 3.2Å; R247-E251 VanDerWaalsContact O-CG 3.31Å; R247-E251 WeakPolarHBondContact O-CG 3.45Å; R247-E251 PolarHBondContact O-N 2.82Å
248	S	97.9	Very high	96.8	Very high	31 Å²	31	50.6 Å²	50.6	22%	0.217	24%	0.238	C	C	.	.	H	α-helix	trans	-57.9	-43.2	179.6	-165.2	0	0	0	0	111.8	E230 Q244 T245 Q252	E230-S248 WeakPolarHBondContact OE2-CB 3.49Å; E230-S248 PolarHBondContact OE2-OG 3.2Å; Q244-S248 WeakPolarHBondContact O-CB 3.29Å; Q244-S248 PolarHBondContact O-N 3.42Å; T245-S248 WeakPolarHBondContact O-CB 3.47Å; T245-S248 PolarHBondContact O-N 3Å; T245-S248 VanDerWaalsContact O-N 3.11Å; S248-Q252 WeakPolarHBondContact O-CB 3.36Å; S248-Q252 PolarHBondContact O-N 3.31Å
249	I	98.6	Very high	97.1	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-53.8	175.1	-67.5	168.8	0	0	0	110.6	L212 L218 M222 E230 L231 T245 R247 E251 Q252 A253 V287	L212-I249 HydrophobicContact CD1-CD1 3.92Å; L218-I249 HydrophobicContact CD1-CG2 3.64Å; L218-I249 HydrophobicContact CD2-CG2 4.01Å; M222-I249 HydrophobicContact SD-CG2 4.4Å; E230-I249 HydrophobicContact CB-CD1 4.26Å; E230-I249 HydrophobicContact CB-CG1 3.47Å; E230-I249 VanDerWaalsContact CB-CG1 3.47Å; E230-I249 HydrophobicContact CG-CG1 4.06Å; L231-I249 HydrophobicContact CD2-CD1 3.78Å; L231-I249 HydrophobicContact CG-CD1 4.32Å; T245-I249 HydrophobicContact CG2-CD1 4.1Å; T245-I249 WeakPolarHBondContact O-CG1 3.4Å; T245-I249 PolarHBondContact O-N 3.1Å; R247-I249 VanDerWaalsContact C-N 3.3Å; R247-I249 PolarHBondContact O-N 3.17Å; I249-E251 VanDerWaalsContact C-N 3.33Å; I249-E251 PolarHBondContact O-N 2.67Å; I249-Q252 PolarHBondContact O-N 3.05Å; I249-A253 WeakPolarHBondContact O-CB 2.97Å; I249-A253 PolarHBondContact O-N 2.98Å; I249-V287 HydrophobicContact CG2-CG1 4.46Å; I249-V287 HydrophobicContact CG2-CG2 4.35Å
250	A	97.8	Very high	97.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64	-36.9	-177.6	0	0	0	0	0	112.3	C34 F36 A246 R247 H254 I285 V287	C34-A250 HydrophobicContact CB-CB 4.31Å; F36-A250 HydrophobicContact CD2-CB 3.84Å; F36-A250 VanDerWaalsContact CE2-C 3.49Å; F36-A250 HydrophobicContact CE2-CB 3.48Å; F36-A250 VanDerWaalsContact CE2-CB 3.48Å; A246-A250 WeakPolarHBondContact O-CB 3.32Å; A246-A250 PolarHBondContact O-N 3.28Å; A246-A250 VanDerWaalsContact O-N 3.09Å; R247-A250 PolarHBondContact O-N 2.78Å; A250-H254 WeakPolarHBondContact O-CB 2.9Å; A250-H254 PolarHBondContact O-N 3.36Å; A250-I285 HydrophobicContact CB-CG2 4.2Å; A250-V287 HydrophobicContact CB-CB 4.49Å; A250-V287 HydrophobicContact CB-CG2 3.96Å
251	E	97.2	Very high	97.3	Very high	94 Å²	94	46.3 Å²	46.3	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-66.7	-42.5	176.3	-76.4	177	176.2	0	0	111.5	F36 R247 I249 H254 V255	F36-E251 HydrophobicContact CE2-CG 3.87Å; F36-E251 HydrophobicContact CZ-CG 3.55Å; R247-E251 VanDerWaalsContact CD-OE1 3.3Å; R247-E251 WeakPolarHBondContact CD-OE1 3.43Å; R247-E251 HydrophobicContact CG-CG 4.03Å; R247-E251 VanDerWaalsContact CG-OE1 3.25Å; R247-E251 WeakPolarHBondContact CG-OE1 3.49Å; R247-E251 WeakPolarHBondContact O-CB 3.2Å; R247-E251 VanDerWaalsContact O-CG 3.31Å; R247-E251 WeakPolarHBondContact O-CG 3.45Å; R247-E251 PolarHBondContact O-N 2.82Å; I249-E251 VanDerWaalsContact C-N 3.33Å; I249-E251 PolarHBondContact O-N 2.67Å; E251-H254 PolarHBondContact O-N 2.96Å; E251-V255 WeakPolarHBondContact O-CG2 3.25Å; E251-V255 PolarHBondContact O-N 2.99Å
252	Q	98.1	Very high	97.3	Very high	51 Å²	51	47.3 Å²	47.3	24%	0.238	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-43.3	177.5	-175.7	174.8	4.7	0	0	111.7	M222 E230 S248 I249 H254 V255 L256	M222-Q252 HydrophobicContact CE-CB 4.25Å; M222-Q252 HydrophobicContact CE-CG 4.04Å; M222-Q252 HydrophobicContact SD-CB 4Å; M222-Q252 HydrophobicContact SD-CG 4.09Å; E230-Q252 PolarHBondContact OE1-OE1 2.88Å; S248-Q252 WeakPolarHBondContact O-CB 3.36Å; S248-Q252 PolarHBondContact O-N 3.31Å; I249-Q252 PolarHBondContact O-N 3.05Å; Q252-H254 VanDerWaalsContact C-N 3.29Å; Q252-H254 PolarHBondContact O-N 3.36Å; Q252-V255 PolarHBondContact O-N 2.72Å; Q252-L256 HydrophobicContact CG-CD1 4.08Å; Q252-L256 WeakPolarHBondContact O-CG 3.29Å; Q252-L256 PolarHBondContact O-N 2.86Å
253	A	98.2	Very high	97.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.7	-45.5	174.2	0	0	0	0	0	111	L218 M222 I249 V255 L256 A257 I285	L218-A253 HydrophobicContact CD1-CB 3.52Å; M222-A253 HydrophobicContact CG-CB 3.94Å; M222-A253 HydrophobicContact SD-CB 3.64Å; M222-A253 PolarHBondContact SD-N 3.44Å; M222-A253 VanDerWaalsContact SD-N 3.36Å; I249-A253 WeakPolarHBondContact O-CB 2.97Å; I249-A253 PolarHBondContact O-N 2.98Å; A253-V255 PolarHBondContact O-N 3.24Å; A253-L256 PolarHBondContact O-N 3.39Å; A253-A257 WeakPolarHBondContact O-CB 3.11Å; A253-A257 PolarHBondContact O-N 2.59Å; A253-I285 HydrophobicContact CB-CD1 3.91Å; A253-I285 HydrophobicContact CB-CG2 4.4Å
254	H	96.3	Very high	97.4	Very high	37 Å²	37	49.9 Å²	49.9	17%	0.171	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-44.5	176.6	-172.4	76.5	0	0	0	112.1	F36 A250 E251 Q252 L256 A257 Y258 I285	F36-H254 HydrophobicContact CD2-CB 4.4Å; A250-H254 WeakPolarHBondContact O-CB 2.9Å; A250-H254 PolarHBondContact O-N 3.36Å; E251-H254 PolarHBondContact O-N 2.96Å; Q252-H254 VanDerWaalsContact C-N 3.29Å; Q252-H254 PolarHBondContact O-N 3.36Å; H254-L256 VanDerWaalsContact C-N 3.34Å; H254-L256 PolarHBondContact O-N 3.28Å; H254-A257 WeakPolarHBondContact O-CB 3.15Å; H254-A257 PolarHBondContact O-N 3.35Å; H254-Y258 AromaticContact CE1-CE2 3.39Å; H254-Y258 WeakPolarHBondContact CE1-CE2 3.48Å; H254-Y258 AromaticContact ND1-CE2 3.76Å; H254-Y258 AromaticContact NE2-CE2 3.89Å; H254-Y258 VanDerWaalsContact O-CD2 3.29Å; H254-Y258 WeakPolarHBondContact O-CD2 3.31Å; H254-I285 HydrophobicContact CB-CD1 3.89Å
255	V	96.9	Very high	97.5	Very high	102 Å²	102	46.2 Å²	46.2	62%	0.618	24%	0.235	S	C	*	.	H	α-helix	trans	-60.6	-45	176.8	168.8	0	0	0	0	111.3	E251 Q252 A253 A257 Y258 D259	E251-V255 WeakPolarHBondContact O-CG2 3.25Å; E251-V255 PolarHBondContact O-N 2.99Å; Q252-V255 PolarHBondContact O-N 2.72Å; A253-V255 PolarHBondContact O-N 3.24Å; V255-A257 VanDerWaalsContact C-N 3.33Å; V255-A257 PolarHBondContact O-N 3.19Å; V255-Y258 PolarHBondContact O-N 3.05Å; V255-D259 PolarHBondContact O-N 2.89Å
256	L	98.2	Very high	97.5	Very high	22 Å²	22	47.3 Å²	47.3	12%	0.115	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-34.7	179.6	-70.3	170.2	0	0	0	112.3	N221 M222 M226 Q252 A253 H254 Y258 D259 Y262 G280	N221-L256 HydrophobicContact CB-CB 4.48Å; M222-L256 HydrophobicContact CG-CD1 3.84Å; M226-L256 HydrophobicContact SD-CD1 3.76Å; Q252-L256 HydrophobicContact CG-CD1 4.08Å; Q252-L256 WeakPolarHBondContact O-CG 3.29Å; Q252-L256 PolarHBondContact O-N 2.86Å; A253-L256 PolarHBondContact O-N 3.39Å; H254-L256 VanDerWaalsContact C-N 3.34Å; H254-L256 PolarHBondContact O-N 3.28Å; L256-Y258 PolarHBondContact O-N 2.88Å; L256-Y258 VanDerWaalsContact O-N 3.16Å; L256-D259 PolarHBondContact O-N 2.99Å; L256-D259 VanDerWaalsContact O-N 3.1Å; L256-Y262 HydrophobicContact CB-CD1 3.96Å; L256-Y262 HydrophobicContact CB-CE1 3.83Å; L256-Y262 HydrophobicContact CD1-CE1 4.25Å; L256-Y262 HydrophobicContact CD2-CD1 4.01Å; L256-Y262 HydrophobicContact CD2-CD2 4.18Å; L256-Y262 HydrophobicContact CD2-CE1 4.03Å; L256-Y262 HydrophobicContact CD2-CE2 4.22Å; L256-Y262 HydrophobicContact CD2-CG 4.08Å; L256-Y262 HydrophobicContact CG-CE1 4.25Å; L256-G280 WeakPolarHBondContact O-CA 3.1Å
257	A	97.5	Very high	97.5	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-57.2	-28.6	177.8	0	0	0	0	0	113.5	N221 A253 H254 V255 G280 K281 P282	N221-A257 WeakPolarHBondContact OD1-CA 3.32Å; A253-A257 WeakPolarHBondContact O-CB 3.11Å; A253-A257 PolarHBondContact O-N 2.59Å; H254-A257 WeakPolarHBondContact O-CB 3.15Å; H254-A257 PolarHBondContact O-N 3.35Å; V255-A257 VanDerWaalsContact C-N 3.33Å; V255-A257 PolarHBondContact O-N 3.19Å; A257-G280 CarbonylContact O-C 3.25Å; A257-G280 VanDerWaalsContact O-C 3.25Å; A257-G280 WeakPolarHBondContact O-CA 3.42Å; A257-K281 WeakPolarHBondContact CB-O 3.42Å; A257-P282 VanDerWaalsContact O-CD 3.3Å; A257-P282 WeakPolarHBondContact O-CD 3.32Å; A257-P282 WeakPolarHBondContact O-CG 3.42Å
258	Y	96.8	Very high	97.5	Very high	104 Å²	104	46.2 Å²	46.2	41%	0.408	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	6.4	179.1	-65.8	-95.8	0	0	0	113.9	K38 H254 V255 L256 P260 P282	K38-Y258 PolarHBondContact O-OH 3.04Å; H254-Y258 AromaticContact CE1-CE2 3.39Å; H254-Y258 WeakPolarHBondContact CE1-CE2 3.48Å; H254-Y258 AromaticContact ND1-CE2 3.76Å; H254-Y258 AromaticContact NE2-CE2 3.89Å; H254-Y258 VanDerWaalsContact O-CD2 3.29Å; H254-Y258 WeakPolarHBondContact O-CD2 3.31Å; V255-Y258 PolarHBondContact O-N 3.05Å; L256-Y258 PolarHBondContact O-N 2.88Å; L256-Y258 VanDerWaalsContact O-N 3.16Å; Y258-P260 VanDerWaalsContact O-CD 3.24Å; Y258-P260 WeakPolarHBondContact O-CD 3.39Å; Y258-P282 HydrophobicContact CD1-CB 4.35Å; Y258-P282 HydrophobicContact CD1-CG 4.19Å; Y258-P282 HydrophobicContact CE1-CB 3.83Å; Y258-P282 HydrophobicContact CE1-CG 4.13Å; Y258-P282 HydrophobicContact CE2-CB 4.33Å
259	D	97.4	Very high	97.4	Very high	61 Å²	61	48.6 Å²	48.6	33%	0.326	25%	0.246	S	C	.	.			trans	-81.6	111	173.3	-176	-9.7	0	0	0	109.9	V255 L256 N261 Y262 G279 G280	V255-D259 PolarHBondContact O-N 2.89Å; L256-D259 PolarHBondContact O-N 2.99Å; L256-D259 VanDerWaalsContact O-N 3.1Å; D259-N261 PolarHBondContact O-N 2.82Å; D259-N261 PolarHBondContact OD1-N 3.33Å; D259-Y262 PolarHBondContact O-N 3.25Å; D259-Y262 PolarHBondContact OD1-N 3.22Å; D259-G279 CarbonylContact O-C 3.48Å; D259-G279 WeakPolarHBondContact O-CA 3.48Å; D259-G280 PolarHBondContact O-N 3.44Å
260	P	96.9	Very high	97.4	Very high	91 Å²	91	48.6 Å²	48.6	59%	0.591	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.8	-178.8	32	-37.2	0	0	0	113.5	Y258	Y258-P260 VanDerWaalsContact O-CD 3.24Å; Y258-P260 WeakPolarHBondContact O-CD 3.39Å
261	N	96.1	Very high	97.3	Very high	99 Å²	99	50.6 Å²	50.6	53%	0.529	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-9.2	-178.1	-62.3	-61.1	0	0	0	112.8	D259 R278	D259-N261 PolarHBondContact O-N 2.82Å; D259-N261 PolarHBondContact OD1-N 3.33Å; N261-R278 PolarHBondContact O-NE 3.48Å; N261-R278 PolarHBondContact O-NH2 3.32Å
262	Y	97.3	Very high	97.2	Very high	29 Å²	29	51.7 Å²	51.7	11%	0.114	27%	0.268	C	S	.	.			trans	-70.6	142.2	177.3	176.8	-132	0	0	0	110.9	N221 P223 M226 L256 D259 G279	N221-Y262 WeakPolarHBondContact O-CE1 3.44Å; N221-Y262 PolarHBondContact O-OH 2.93Å; P223-Y262 VanDerWaalsContact CD-OH 3.29Å; P223-Y262 WeakPolarHBondContact CD-OH 3.35Å; M226-Y262 HydrophobicContact CE-CE2 4.23Å; L256-Y262 HydrophobicContact CB-CD1 3.96Å; L256-Y262 HydrophobicContact CB-CE1 3.83Å; L256-Y262 HydrophobicContact CD1-CE1 4.25Å; L256-Y262 HydrophobicContact CD2-CD1 4.01Å; L256-Y262 HydrophobicContact CD2-CD2 4.18Å; L256-Y262 HydrophobicContact CD2-CE1 4.03Å; L256-Y262 HydrophobicContact CD2-CE2 4.22Å; L256-Y262 HydrophobicContact CD2-CG 4.08Å; L256-Y262 HydrophobicContact CG-CE1 4.25Å; D259-Y262 PolarHBondContact O-N 3.25Å; D259-Y262 PolarHBondContact OD1-N 3.22Å; Y262-G279 CarbonylContact O-C 3.58Å; Y262-G279 WeakPolarHBondContact O-CA 3.48Å; Y262-G279 PolarHBondContact O-N 2.67Å
263	M	97.5	Very high	97.1	Very high	85 Å²	85	53.1 Å²	53.1	42%	0.419	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-99.1	86.9	168.9	-167	62.3	72.6	0	0	107.2	A267 R278	M263-A267 HydrophobicContact SD-CB 3.78Å; M263-R278 HydrophobicContact CE-CB 4.45Å; M263-R278 HydrophobicContact CE-CG 4.07Å
264	S	98.3	Very high	97	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.007	31%	0.312	C	S	.	.			trans	-71.1	161.3	-178.4	74.9	0	0	0	0	111.9	D220 F266 A267 Q268 G279	D220-S264 VanDerWaalsContact O-CB 3.25Å; D220-S264 WeakPolarHBondContact O-CB 3.34Å; D220-S264 PolarHBondContact O-OG 2.67Å; S264-F266 PolarHBondContact O-N 2.68Å; S264-F266 PolarHBondContact OG-N 3.25Å; S264-A267 PolarHBondContact O-N 2.82Å; S264-A267 VanDerWaalsContact O-N 3.1Å; S264-A267 PolarHBondContact OG-N 3.43Å; S264-Q268 WeakPolarHBondContact O-CB 3.1Å; S264-Q268 PolarHBondContact O-N 2.85Å; S264-G279 PolarHBondContact OG-O 2.87Å; S264-G279 VanDerWaalsContact OG-O 3.1Å
265	P	98.2	Very high	96.9	Very high	39 Å²	39	58.6 Å²	58.6	25%	0.253	32%	0.324	S	S	.	.	H	α-helix	trans	-47	-45.7	167.6	-29.6	35.4	0	0	0	112.6	F219 D220 P223 Q268 F269	F219-P265 WeakPolarHBondContact O-CB 3.31Å; F219-P265 WeakPolarHBondContact O-CG 3.36Å; D220-P265 VanDerWaalsContact O-CD 3.29Å; D220-P265 WeakPolarHBondContact O-CD 3.14Å; P223-P265 HydrophobicContact CB-CG 4.19Å; P265-Q268 PolarHBondContact O-N 3.27Å; P265-F269 WeakPolarHBondContact O-CB 3.3Å; P265-F269 PolarHBondContact O-N 3.11Å
266	F	98.1	Very high	96.8	Very high	30 Å²	30	61.8 Å²	61.8	13%	0.132	34%	0.338	C	S	.	.	H	α-helix	trans	-58.3	-51	174.6	174.5	-96	0	0	0	112.8	F173 N174 D220 S264 Q268 F269 A270 V277 K281	F173-F266 HydrophobicContact CE1-CE2 4.16Å; F173-F266 HydrophobicContact CE1-CZ 4.13Å; F173-F266 HydrophobicContact CE2-CE2 4.28Å; F173-F266 HydrophobicContact CZ-CD2 4.14Å; F173-F266 HydrophobicContact CZ-CE1 4.47Å; F173-F266 AromaticContact CZ-CE2 3.5Å; F173-F266 HydrophobicContact CZ-CE2 3.5Å; F173-F266 AromaticContact CZ-CZ 3.69Å; F173-F266 HydrophobicContact CZ-CZ 3.69Å; N174-F266 HydrophobicContact CB-CE2 4.05Å; N174-F266 WeakPolarHBondContact OD1-CE2 3.25Å; D220-F266 HydrophobicContact CB-CB 3.79Å; D220-F266 WeakPolarHBondContact O-CB 3.31Å; D220-F266 PolarHBondContact O-N 2.73Å; S264-F266 PolarHBondContact O-N 2.68Å; S264-F266 PolarHBondContact OG-N 3.25Å; F266-Q268 VanDerWaalsContact C-N 3.31Å; F266-Q268 PolarHBondContact O-N 2.61Å; F266-F269 PolarHBondContact O-N 2.75Å; F266-A270 WeakPolarHBondContact O-CB 3.35Å; F266-A270 PolarHBondContact O-N 3.44Å; F266-V277 HydrophobicContact CE1-CG1 4.48Å; F266-K281 HydrophobicContact CB-CB 4.14Å; F266-K281 HydrophobicContact CB-CD 4.5Å; F266-K281 HydrophobicContact CD1-CB 3.94Å; F266-K281 HydrophobicContact CD1-CG 4.29Å; F266-K281 HydrophobicContact CD2-CD 3.72Å; F266-K281 HydrophobicContact CD2-CG 4.35Å; F266-K281 HydrophobicContact CE1-CG 4.46Å; F266-K281 HydrophobicContact CE2-CD 4.01Å; F266-K281 HydrophobicContact CG-CB 3.94Å; F266-K281 HydrophobicContact CG-CD 3.99Å; F266-K281 HydrophobicContact CG-CG 4.23Å
267	A	97.9	Very high	96.6	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-64.4	-37.5	-178	0	0	0	0	0	112	M263 S264 A270 C271 G279	M263-A267 HydrophobicContact SD-CB 3.78Å; S264-A267 PolarHBondContact O-N 2.82Å; S264-A267 VanDerWaalsContact O-N 3.1Å; S264-A267 PolarHBondContact OG-N 3.43Å; A267-A270 WeakPolarHBondContact O-CB 3.25Å; A267-A270 PolarHBondContact O-N 3.36Å; A267-C271 PolarHBondContact O-N 2.89Å; A267-C271 PolarHBondContact O-SG 2.95Å; A267-G279 WeakPolarHBondContact CB-O 3.45Å
268	Q	97.4	Very high	96.5	Very high	93 Å²	93	70.6 Å²	70.6	44%	0.435	38%	0.375	S	S	.	.	H	α-helix	trans	-62.4	-48.3	173.6	-174.5	60.7	64.9	0	0	110.7	S264 P265 F266 A270 C271 D272	S264-Q268 WeakPolarHBondContact O-CB 3.1Å; S264-Q268 PolarHBondContact O-N 2.85Å; P265-Q268 PolarHBondContact O-N 3.27Å; F266-Q268 VanDerWaalsContact C-N 3.31Å; F266-Q268 PolarHBondContact O-N 2.61Å; Q268-A270 VanDerWaalsContact C-N 3.31Å; Q268-A270 PolarHBondContact O-N 2.67Å; Q268-C271 WeakPolarHBondContact O-CB 3.31Å; Q268-C271 PolarHBondContact O-N 3.12Å; Q268-C271 VanDerWaalsContact O-N 3.14Å; Q268-D272 PolarHBondContact NE2-OD1 3.21Å; Q268-D272 VanDerWaalsContact NE2-OD1 3.17Å; Q268-D272 VanDerWaalsContact O-CG 3.27Å; Q268-D272 PolarHBondContact O-N 3.41Å
269	F	95.9	Very high	96.5	Very high	81 Å²	81	65.9 Å²	65.9	36%	0.355	36%	0.358	S	S	.	.	H	α-helix	trans	-65.1	-35.1	178.5	-170.4	-133.8	0	0	0	112.4	F173 P265 F266 D272 N273	F173-F269 AromaticContact CD2-CD1 3.47Å; F173-F269 HydrophobicContact CD2-CD1 3.47Å; F173-F269 VanDerWaalsContact CD2-CD1 3.47Å; F173-F269 AromaticContact CD2-CE1 3.64Å; F173-F269 HydrophobicContact CD2-CE1 3.64Å; F173-F269 HydrophobicContact CD2-CG 4.2Å; F173-F269 HydrophobicContact CD2-CZ 4.48Å; F173-F269 HydrophobicContact CE2-CB 4.26Å; F173-F269 AromaticContact CE2-CD1 3.51Å; F173-F269 HydrophobicContact CE2-CD1 3.51Å; F173-F269 HydrophobicContact CE2-CE1 4.16Å; F173-F269 HydrophobicContact CE2-CG 4.1Å; P265-F269 WeakPolarHBondContact O-CB 3.3Å; P265-F269 PolarHBondContact O-N 3.11Å; F266-F269 PolarHBondContact O-N 2.75Å; F269-D272 PolarHBondContact O-N 3.05Å; F269-N273 WeakPolarHBondContact CD2-ND2 3.39Å; F269-N273 VanDerWaalsContact CE2-ND2 3.3Å; F269-N273 WeakPolarHBondContact CE2-ND2 3.29Å; F269-N273 PolarHBondContact O-N 3Å; F269-N273 PolarHBondContact O-ND2 2.86Å
270	A	96.7	Very high	96.5	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-60.5	-44.8	172.1	0	0	0	0	0	111.3	F173 F266 A267 Q268 N273 G274 L275 V277	F173-A270 HydrophobicContact CE1-CB 4.16Å; F173-A270 HydrophobicContact CE2-CB 3.95Å; F173-A270 HydrophobicContact CZ-CB 3.46Å; F173-A270 VanDerWaalsContact CZ-CB 3.46Å; F266-A270 WeakPolarHBondContact O-CB 3.35Å; F266-A270 PolarHBondContact O-N 3.44Å; A267-A270 WeakPolarHBondContact O-CB 3.25Å; A267-A270 PolarHBondContact O-N 3.36Å; Q268-A270 VanDerWaalsContact C-N 3.31Å; Q268-A270 PolarHBondContact O-N 2.67Å; A270-N273 CarbonylContact O-C 3.46Å; A270-N273 PolarHBondContact O-N 3.02Å; A270-N273 VanDerWaalsContact O-N 3.16Å; A270-G274 PolarHBondContact O-N 2.94Å; A270-L275 CarbonylContact C-O 3.54Å; A270-L275 HydrophobicContact CB-CB 4.15Å; A270-L275 HydrophobicContact CB-CD1 4.36Å; A270-L275 WeakPolarHBondContact O-CB 3.17Å; A270-L275 PolarHBondContact O-N 3.1Å; A270-V277 HydrophobicContact CB-CB 4.12Å; A270-V277 HydrophobicContact CB-CG2 4.35Å
271	C	96.8	Very high	96.5	Very high	43 Å²	43	60.5 Å²	60.5	29%	0.291	33%	0.327	S	S	.	.	H	α-helix	trans	-63.2	-41.5	176.8	-69.5	0	0	0	0	112.3	A267 Q268 N273 G274 L275 V277	A267-C271 PolarHBondContact O-N 2.89Å; A267-C271 PolarHBondContact O-SG 2.95Å; Q268-C271 WeakPolarHBondContact O-CB 3.31Å; Q268-C271 PolarHBondContact O-N 3.12Å; Q268-C271 VanDerWaalsContact O-N 3.14Å; C271-N273 PolarHBondContact O-N 2.82Å; C271-G274 PolarHBondContact O-N 3.1Å; C271-L275 WeakPolarHBondContact CA-O 3.35Å; C271-L275 PolarHBondContact N-O 3.16Å; C271-L275 PolarHBondContact SG-O 3.1Å; C271-V277 PolarHBondContact SG-O 3.24Å; C271-V277 VanDerWaalsContact SG-O 3.41Å
272	D	95.6	Very high	96.5	Very high	117 Å²	117	58.5 Å²	58.5	63%	0.626	32%	0.319	S	S	*	.	H	α-helix	trans	-65	-26.1	176.9	-62.8	-17.1	0	0	0	111.8	Q268 F269 G274	Q268-D272 PolarHBondContact NE2-OD1 3.21Å; Q268-D272 VanDerWaalsContact NE2-OD1 3.17Å; Q268-D272 VanDerWaalsContact O-CG 3.27Å; Q268-D272 PolarHBondContact O-N 3.41Å; F269-D272 PolarHBondContact O-N 3.05Å; D272-G274 VanDerWaalsContact C-N 3.34Å
273	N	94.9	Very high	96.5	Very high	81 Å²	81	58.2 Å²	58.2	43%	0.433	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	12.2	172	-75.1	-85.6	0	0	0	113.8	F173 F269 A270 C271	F173-N273 HydrophobicContact CB-CB 4.27Å; F173-N273 HydrophobicContact CD2-CB 4.24Å; F173-N273 HydrophobicContact CG-CB 4.24Å; F269-N273 WeakPolarHBondContact CD2-ND2 3.39Å; F269-N273 VanDerWaalsContact CE2-ND2 3.3Å; F269-N273 WeakPolarHBondContact CE2-ND2 3.29Å; F269-N273 PolarHBondContact O-N 3Å; F269-N273 PolarHBondContact O-ND2 2.86Å; A270-N273 CarbonylContact O-C 3.46Å; A270-N273 PolarHBondContact O-N 3.02Å; A270-N273 VanDerWaalsContact O-N 3.16Å; C271-N273 PolarHBondContact O-N 2.82Å
274	G	95.9	Very high	96.4	Very high	70 Å²	70	54.5 Å²	54.5	72%	0.722	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	9.1	173.3	0	0	0	0	0	115.6	A270 C271 D272	A270-G274 PolarHBondContact O-N 2.94Å; C271-G274 PolarHBondContact O-N 3.1Å; D272-G274 VanDerWaalsContact C-N 3.34Å
275	L	94.7	Very high	96.4	Very high	82 Å²	82	54.5 Å²	54.5	43%	0.429	30%	0.301	S	S	.	.			trans	-93.6	126.5	174.7	-56	176	0	0	0	110.3	F173 A270 C271 V277	F173-L275 HydrophobicContact CD1-CD1 3.72Å; F173-L275 HydrophobicContact CE1-CD1 3.51Å; F173-L275 HydrophobicContact CZ-CD1 4.36Å; A270-L275 CarbonylContact C-O 3.54Å; A270-L275 HydrophobicContact CB-CB 4.15Å; A270-L275 HydrophobicContact CB-CD1 4.36Å; A270-L275 WeakPolarHBondContact O-CB 3.17Å; A270-L275 PolarHBondContact O-N 3.1Å; C271-L275 WeakPolarHBondContact CA-O 3.35Å; C271-L275 PolarHBondContact N-O 3.16Å; C271-L275 PolarHBondContact SG-O 3.1Å; L275-V277 HydrophobicContact CB-CG2 4.01Å; L275-V277 PolarHBondContact O-N 3.37Å
276	N	94	Very high	96.4	Very high	168 Å²	168	52.6 Å²	52.6	90%	0.898	29%	0.289	S	S	*	.			trans	-85.5	79.6	176.9	-170.6	17.8	0	0	0	110.8
277	V	94	Very high	96.4	Very high	55 Å²	55	51.2 Å²	51.2	33%	0.333	28%	0.283	S	S	.	.			trans	-116.1	147	-177.3	179.6	0	0	0	0	110.1	F266 A270 C271 L275	F266-V277 HydrophobicContact CE1-CG1 4.48Å; A270-V277 HydrophobicContact CB-CB 4.12Å; A270-V277 HydrophobicContact CB-CG2 4.35Å; C271-V277 PolarHBondContact SG-O 3.24Å; C271-V277 VanDerWaalsContact SG-O 3.41Å; L275-V277 HydrophobicContact CB-CG2 4.01Å; L275-V277 PolarHBondContact O-N 3.37Å
278	R	95.9	Very high	96.4	Very high	154 Å²	154	51.2 Å²	51.2	58%	0.581	28%	0.283	S	S	*	.			trans	-143.2	153	172.6	-173.7	177.8	-179.3	-173.8	-1	109.2	N261 M263	N261-R278 PolarHBondContact O-NE 3.48Å; N261-R278 PolarHBondContact O-NH2 3.32Å; M263-R278 HydrophobicContact CE-CB 4.45Å; M263-R278 HydrophobicContact CE-CG 4.07Å
279	G	97.6	Very high	96.5	Very high	4 Å²	4	46.8 Å²	46.8	4%	0.041	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	112.6	172.5	-179.4	0	0	0	0	0	111.5	D259 Y262 S264 A267	D259-G279 CarbonylContact O-C 3.48Å; D259-G279 WeakPolarHBondContact O-CA 3.48Å; Y262-G279 CarbonylContact O-C 3.58Å; Y262-G279 WeakPolarHBondContact O-CA 3.48Å; Y262-G279 PolarHBondContact O-N 2.67Å; S264-G279 PolarHBondContact OG-O 2.87Å; S264-G279 VanDerWaalsContact OG-O 3.1Å; A267-G279 WeakPolarHBondContact CB-O 3.45Å
280	G	97.7	Very high	96.6	Very high	16 Å²	16	42.9 Å²	42.9	17%	0.165	25%	0.245	C	C	.	.			trans	-67.9	170.1	164	0	0	0	0	0	112.9	N221 L256 A257 D259 P282	N221-G280 WeakPolarHBondContact OD1-CA 3.48Å; L256-G280 WeakPolarHBondContact O-CA 3.1Å; A257-G280 CarbonylContact O-C 3.25Å; A257-G280 VanDerWaalsContact O-C 3.25Å; A257-G280 WeakPolarHBondContact O-CA 3.42Å; D259-G280 PolarHBondContact O-N 3.44Å; G280-P282 WeakPolarHBondContact O-CD 3.43Å
281	K	96.8	Very high	96.7	Very high	24 Å²	24	43 Å²	43	10%	0.104	25%	0.246	C	C	.	.			trans	-105.3	102.9	171.3	-174.7	-163.8	-177.7	-168.6	0	108.3	N174 D216 D220 N221 A257 F266 D283	N174-K281 WeakPolarHBondContact OD1-CE 3.24Å; N174-K281 PolarHBondContact OD1-NZ 3Å; N174-K281 VanDerWaalsContact OD1-NZ 3.17Å; D216-K281 IonicContact OD2-NZ 3.4Å; D216-K281 PolarHBondContact OD2-NZ 3.49Å; D220-K281 HydrophobicContact CB-CB 4.35Å; D220-K281 HydrophobicContact CB-CD 3.9Å; D220-K281 WeakPolarHBondContact OD2-CD 3.39Å; D220-K281 WeakPolarHBondContact OD2-CE 3.43Å; D220-K281 IonicContact OD2-NZ 2.72Å; D220-K281 PolarHBondContact OD2-NZ 2.99Å; N221-K281 PolarHBondContact ND2-O 3.02Å; N221-K281 PolarHBondContact OD1-N 3.29Å; A257-K281 WeakPolarHBondContact CB-O 3.42Å; F266-K281 HydrophobicContact CB-CB 4.14Å; F266-K281 HydrophobicContact CB-CD 4.5Å; F266-K281 HydrophobicContact CD1-CB 3.94Å; F266-K281 HydrophobicContact CD1-CG 4.29Å; F266-K281 HydrophobicContact CD2-CD 3.72Å; F266-K281 HydrophobicContact CD2-CG 4.35Å; F266-K281 HydrophobicContact CE1-CG 4.46Å; F266-K281 HydrophobicContact CE2-CD 4.01Å; F266-K281 HydrophobicContact CG-CB 3.94Å; F266-K281 HydrophobicContact CG-CD 3.99Å; F266-K281 HydrophobicContact CG-CG 4.23Å; K281-D283 WeakPolarHBondContact CE-OD2 3.37Å; K281-D283 IonicContact NZ-OD2 2.59Å; K281-D283 PolarHBondContact NZ-OD2 3.24Å; K281-D283 PolarHBondContact O-N 2.91Å; K281-D283 VanDerWaalsContact O-N 3.1Å
282	P	96	Very high	96.7	Very high	56 Å²	56	41 Å²	41	36%	0.364	23%	0.233	S	C	.	.			trans	-60.1	113.6	172.9	-25.2	35.1	0	0	0	110.7	K38 A257 Y258 G280	K38-P282 HydrophobicContact CD-CB 4.23Å; K38-P282 WeakPolarHBondContact CD-O 3.37Å; K38-P282 HydrophobicContact CG-CB 4.24Å; A257-P282 VanDerWaalsContact O-CD 3.3Å; A257-P282 WeakPolarHBondContact O-CD 3.32Å; A257-P282 WeakPolarHBondContact O-CG 3.42Å; Y258-P282 HydrophobicContact CD1-CB 4.35Å; Y258-P282 HydrophobicContact CD1-CG 4.19Å; Y258-P282 HydrophobicContact CE1-CB 3.83Å; Y258-P282 HydrophobicContact CE1-CG 4.13Å; Y258-P282 HydrophobicContact CE2-CB 4.33Å; G280-P282 WeakPolarHBondContact O-CD 3.43Å
283	D	95.7	Very high	96.6	Very high	23 Å²	23	36.3 Å²	36.3	12%	0.123	21%	0.209	C	C	.	.			trans	-144.8	170.1	179.6	-129.6	-24.8	0	0	0	113.2	K281	K281-D283 WeakPolarHBondContact CE-OD2 3.37Å; K281-D283 IonicContact NZ-OD2 2.59Å; K281-D283 PolarHBondContact NZ-OD2 3.24Å; K281-D283 PolarHBondContact O-N 2.91Å; K281-D283 VanDerWaalsContact O-N 3.1Å
284	D	96.6	Very high	96.3	Very high	8 Å²	8	36.7 Å²	36.7	4%	0.043	21%	0.209	C	C	.	.			trans	-67.2	140	163.9	-65.7	-39.2	0	0	0	109.3	G37 K38 Y51 D53 D54 G217	G37-D284 WeakPolarHBondContact CA-OD1 3.12Å; K38-D284 PolarHBondContact N-OD1 3.16Å; Y51-D284 WeakPolarHBondContact O-CB 3.3Å; D53-D284 WeakPolarHBondContact CA-OD2 3.39Å; D53-D284 VanDerWaalsContact CB-OD2 3.25Å; D53-D284 WeakPolarHBondContact CB-OD2 3.33Å; D53-D284 PolarHBondContact N-OD2 3.14Å; D54-D284 HydrophobicContact CB-CB 4.35Å; G217-D284 WeakPolarHBondContact CA-O 3.29Å
285	I	97.7	Very high	95.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.6	-175	-61.7	171.9	0	0	0	108.2	G35 F36 A250 A253 H254 V287	G35-I285 CarbonylContact C-O 3.6Å; G35-I285 WeakPolarHBondContact CA-O 3.24Å; F36-I285 PolarHBondContact N-O 3.5Å; F36-I285 PolarHBondContact O-N 3.03Å; A250-I285 HydrophobicContact CB-CG2 4.2Å; A253-I285 HydrophobicContact CB-CD1 3.91Å; A253-I285 HydrophobicContact CB-CG2 4.4Å; H254-I285 HydrophobicContact CB-CD1 3.89Å; I285-V287 HydrophobicContact CG2-CG2 4.22Å
286	T	98.3	Very high	94.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.3	174.5	-61.5	0	0	0	0	110.6	Y51 D54 C56 V69 A214 T215	Y51-T286 HydrophobicContact CD2-CG2 3.79Å; Y51-T286 VanDerWaalsContact CD2-OG1 3.32Å; Y51-T286 WeakPolarHBondContact CD2-OG1 3.44Å; Y51-T286 HydrophobicContact CE2-CG2 3.97Å; D54-T286 WeakPolarHBondContact CB-OG1 3.34Å; D54-T286 VanDerWaalsContact CG-OG1 3.32Å; D54-T286 VanDerWaalsContact OD2-CB 3.32Å; D54-T286 WeakPolarHBondContact OD2-CB 3.1Å; D54-T286 PolarHBondContact OD2-N 3.42Å; D54-T286 PolarHBondContact OD2-OG1 3.48Å; C56-T286 HydrophobicContact CB-CG2 3.81Å; V69-T286 HydrophobicContact CG1-CG2 4.12Å; A214-T286 WeakPolarHBondContact CA-O 3.38Å; A214-T286 VanDerWaalsContact CB-O 3.24Å; A214-T286 WeakPolarHBondContact CB-O 2.99Å; T215-T286 PolarHBondContact N-O 3.4Å; T215-T286 VanDerWaalsContact N-O 3.16Å; T215-T286 PolarHBondContact OG1-N 2.96Å
287	V	98.5	Very high	92.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	124.4	-179	-178.3	0	0	0	0	109.8	S33 C34 L212 A214 L218 I249 A250 I285	S33-V287 CarbonylContact C-O 3.59Å; S33-V287 VanDerWaalsContact CA-O 3.27Å; S33-V287 WeakPolarHBondContact CA-O 3.39Å; C34-V287 PolarHBondContact N-O 2.99Å; C34-V287 PolarHBondContact O-N 3.26Å; L212-V287 HydrophobicContact CD1-CG1 3.52Å; A214-V287 HydrophobicContact CB-CG2 4.36Å; L218-V287 HydrophobicContact CD2-CG2 4.01Å; I249-V287 HydrophobicContact CG2-CG1 4.46Å; I249-V287 HydrophobicContact CG2-CG2 4.35Å; A250-V287 HydrophobicContact CB-CB 4.49Å; A250-V287 HydrophobicContact CB-CG2 3.96Å; I285-V287 HydrophobicContact CG2-CG2 4.22Å
288	L	98.6	Very high	92.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121	164.2	-56.6	-177.3	0	0	0	108.1	T31 A32 M49 C56 I58 L67 V69 L212 T213	T31-L288 HydrophobicContact CG2-CB 4.4Å; A32-L288 WeakPolarHBondContact O-CA 3.42Å; M49-L288 HydrophobicContact CE-CD2 4.01Å; C56-L288 HydrophobicContact CB-CD1 4.15Å; C56-L288 HydrophobicContact CB-CD2 4.13Å; C56-L288 HydrophobicContact CB-CG 4.33Å; I58-L288 HydrophobicContact CD1-CD2 4.23Å; I58-L288 HydrophobicContact CG1-CD2 4.3Å; L67-L288 HydrophobicContact CB-CD1 3.89Å; L67-L288 HydrophobicContact CD1-CB 4.44Å; L67-L288 HydrophobicContact CD1-CD1 3.88Å; V69-L288 HydrophobicContact CG1-CD1 3.77Å; V69-L288 HydrophobicContact CG1-CG 3.88Å; L212-L288 WeakPolarHBondContact CA-O 3.49Å; T213-L288 PolarHBondContact N-O 3.28Å; T213-L288 PolarHBondContact O-N 3.25Å
289	L	98.6	Very high	92.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121.2	175.3	-172.8	65.4	0	0	0	108.9	T31 A32 I210 L212 L231 I242 T245 A246	T31-L289 CarbonylContact C-O 3.41Å; T31-L289 VanDerWaalsContact CA-O 3.32Å; T31-L289 WeakPolarHBondContact CA-O 3.32Å; A32-L289 PolarHBondContact N-O 3.25Å; A32-L289 PolarHBondContact O-N 3.14Å; I210-L289 HydrophobicContact CG2-CD1 3.48Å; I210-L289 VanDerWaalsContact CG2-CD1 3.48Å; I210-L289 HydrophobicContact CG2-CG 4.42Å; L212-L289 HydrophobicContact CB-CD1 4.31Å; L212-L289 HydrophobicContact CD1-CD1 3.93Å; L231-L289 HydrophobicContact CD2-CD1 3.63Å; L231-L289 HydrophobicContact CD2-CD2 4.16Å; I242-L289 HydrophobicContact CG2-CB 4.01Å; I242-L289 HydrophobicContact CG2-CD2 4Å; I242-L289 HydrophobicContact CG2-CG 3.95Å; I242-L289 WeakPolarHBondContact CG2-O 3.34Å; T245-L289 HydrophobicContact CG2-CD2 3.72Å; A246-L289 HydrophobicContact CB-CB 3.84Å; A246-L289 HydrophobicContact CB-CD2 4.33Å
290	S	98.2	Very high	92.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147.8	-179.2	-49.7	0	0	0	0	111	V30 T31 L67 I210 I211	V30-S290 WeakPolarHBondContact O-CA 3.29Å; T31-S290 WeakPolarHBondContact CB-OG 3.23Å; T31-S290 WeakPolarHBondContact CG2-OG 3.39Å; T31-S290 WeakPolarHBondContact OG1-CB 3.38Å; T31-S290 PolarHBondContact OG1-OG 2.77Å; L67-S290 WeakPolarHBondContact CD2-OG 3.41Å; I210-S290 CarbonylContact C-O 3.55Å; I210-S290 WeakPolarHBondContact CA-O 3.38Å; I211-S290 PolarHBondContact N-O 3.02Å; I211-S290 PolarHBondContact O-N 2.76Å
291	I	97.8	Very high	91.8	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.2	168.9	-59.4	-179.6	0	0	0	108.8	L29 V30 D209 I210 L234 T237 I242 A293	L29-I291 WeakPolarHBondContact CA-O 3.49Å; V30-I291 PolarHBondContact N-O 3.4Å; V30-I291 PolarHBondContact O-N 2.88Å; D209-I291 WeakPolarHBondContact O-CA 3.49Å; I210-I291 HydrophobicContact CG1-CG1 4.35Å; L234-I291 HydrophobicContact CD1-CD1 4.13Å; L234-I291 HydrophobicContact CD2-CD1 3.37Å; L234-I291 HydrophobicContact CD2-CG1 4.39Å; L234-I291 HydrophobicContact CG-CD1 4.26Å; T237-I291 HydrophobicContact CG2-CD1 4.35Å; T237-I291 HydrophobicContact CG2-CG2 3.99Å; I242-I291 HydrophobicContact CD1-CB 4.28Å; I242-I291 HydrophobicContact CD1-CD1 3.69Å; I242-I291 HydrophobicContact CD1-CG1 3.94Å; I242-I291 HydrophobicContact CG1-CD1 3.56Å; I242-I291 HydrophobicContact CG1-CG1 4.09Å; I291-A293 PolarHBondContact O-N 3.27Å
292	V	96.9	Very high	91.5	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	114.9	169.8	-176.7	0	0	0	0	108.4	Y27 L29 V205 E206 L207 G208 D209 I211	Y27-V292 HydrophobicContact CD2-CG1 3.51Å; Y27-V292 HydrophobicContact CE2-CG1 4.17Å; Y27-V292 HydrophobicContact CG-CG1 4.04Å; L29-V292 HydrophobicContact CD2-CG2 3.9Å; V205-V292 HydrophobicContact CB-CG2 4.2Å; V205-V292 HydrophobicContact CG2-CG1 4.25Å; V205-V292 HydrophobicContact CG2-CG2 4.32Å; E206-V292 WeakPolarHBondContact O-CB 3.31Å; E206-V292 WeakPolarHBondContact O-CG1 3.4Å; L207-V292 HydrophobicContact CD2-CG1 4.47Å; G208-V292 PolarHBondContact N-O 3.16Å; D209-V292 HydrophobicContact CB-CB 4.24Å; D209-V292 HydrophobicContact CB-CG2 3.86Å; D209-V292 PolarHBondContact O-N 3.44Å; I211-V292 HydrophobicContact CD1-CG2 3.78Å
293	A	93.8	Very high	91.2	Very high	17 Å²	17	36.1 Å²	36.1	14%	0.14	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	163.2	-179.5	0	0	0	0	0	110.4	Y27 S28 V30 L207 I291 Y295	Y27-A293 CarbonylContact C-O 3.55Å; S28-A293 PolarHBondContact N-O 3.48Å; S28-A293 PolarHBondContact O-N 2.83Å; V30-A293 HydrophobicContact CG2-CB 4.1Å; L207-A293 VanDerWaalsContact CD2-C 3.49Å; I291-A293 PolarHBondContact O-N 3.27Å; A293-Y295 PolarHBondContact O-N 2.91Å
294	E	89.9	Confident	90.9	Very high	90 Å²	90	37 Å²	37	42%	0.421	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	135.5	169.8	-65.1	-175.3	-180	0	0	109.5	R25 L207 T296	R25-E294 WeakPolarHBondContact CD-OE1 3.14Å; R25-E294 IonicContact CZ-OE1 3.72Å; R25-E294 IonicContact NE-OE1 3.53Å; R25-E294 IonicContact NH1-OE1 3.99Å; R25-E294 PolarHBondContact NH1-OE1 2.97Å; L207-E294 HydrophobicContact CD1-CG 3.79Å; L207-E294 HydrophobicContact CD2-CG 3.85Å; E294-T296 PolarHBondContact O-N 2.66Å
295	Y	80.3	Confident	90.5	Very high	80 Å²	80	39.2 Å²	39.2	31%	0.314	21%	0.207	S	C	.	.			trans	-68.3	120.3	173.6	-178.5	-105.4	0	0	0	109.8	D26 R139 A293 D297	D26-Y295 HydrophobicContact CB-CD1 4.38Å; D26-Y295 HydrophobicContact CB-CG 4.33Å; D26-Y295 WeakPolarHBondContact O-CB 3.45Å; D26-Y295 PolarHBondContact O-N 2.76Å; R139-Y295 VanDerWaalsContact NH1-CD2 3.32Å; A293-Y295 PolarHBondContact O-N 2.91Å; Y295-D297 VanDerWaalsContact CE1-OD1 3.24Å; Y295-D297 WeakPolarHBondContact CE1-OD1 3.24Å; Y295-D297 PolarHBondContact OH-OD1 3.14Å
296	T	71	Confident	89.9	Confident	114 Å²	114	42.5 Å²	42.5	70%	0.699	22%	0.224	S	C	*	.			trans	-113.7	124.5	171.4	59.7	0	0	0	0	108.5	E294	E294-T296 PolarHBondContact O-N 2.66Å
297	D	56.4	Low	89.1	Confident	205 Å²	205	46.4 Å²	46.4	100%	1.096	25%	0.245	S	C	*	.			trans	-54.9	0	175.5	-81.9	-34	0	0	0	113.7	Y295	Y295-D297 VanDerWaalsContact CE1-OD1 3.24Å; Y295-D297 WeakPolarHBondContact CE1-OD1 3.24Å; Y295-D297 PolarHBondContact OH-OD1 3.14Å

Retrieved 297 of 297 residues in 165.4 ms (Link to these results)

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