A0A087YCW5_POEFO Loading...

Reticulon 4 receptor

AlphaFold DB , UniProt , Accession A0A087YCW5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 467 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	37.1	Very low	46.3	Very low	241 Å²	241	146.7 Å²	146.7	100%	1.187	76%	0.762	S	S	*	*				0	98.7	0	-87.8	167.9	162.4	0	0	108.7
2	R	30.6	Very low	47.4	Very low	259 Å²	259	145.2 Å²	145.2	98%	0.977	76%	0.755	S	S	*	*			trans	-120.8	100.8	168.4	-92.2	-176.3	173.3	176.8	-2.8	106.6
3	T	34.4	Very low	48.4	Very low	126 Å²	126	145.5 Å²	145.5	77%	0.773	75%	0.747	S	S	*	*			trans	-84.7	110.4	176.6	38.2	0	0	0	0	109.5
4	V	41	Very low	49.3	Very low	139 Å²	139	143.1 Å²	143.1	84%	0.842	74%	0.735	S	S	*	*			trans	25	96.3	133.4	-166.9	0	0	0	0	115.7
5	V	45.8	Very low	50.3	Low	127 Å²	127	138.6 Å²	138.6	77%	0.77	72%	0.717	S	S	*	*			trans	-136.4	100.1	155	179.8	0	0	0	0	105.2
6	F	46	Very low	50.9	Low	202 Å²	202	136.9 Å²	136.9	89%	0.886	71%	0.707	S	S	*	*			trans	172	76.2	153.9	-101.6	-72.6	0	0	0	109.3
7	D	51.6	Low	51.3	Low	111 Å²	111	139.7 Å²	139.7	59%	0.594	71%	0.706	S	S	*	*	S	Bend	trans	-147.6	1.9	162.2	-142.4	10.9	0	0	0	114.2
8	G	51.4	Low	51.6	Low	51 Å²	51	137.8 Å²	137.8	53%	0.526	70%	0.697	S	S	.	*	H	α-helix	trans	-78.6	-30.9	179.5	0	0	0	0	0	114.3	L12	G8-L12 PolarHBondContact O-N 2.84Å
9	G	56.7	Low	51.7	Low	49 Å²	49	137.3 Å²	137.3	51%	0.505	70%	0.697	S	S	.	*	H	α-helix	trans	-72.6	-33	-174.6	0	0	0	0	0	114.3	F13	G9-F13 PolarHBondContact O-N 3.45Å; G9-F13 VanDerWaalsContact O-N 3.1Å
10	R	56.9	Low	51.7	Low	200 Å²	200	136.5 Å²	136.5	76%	0.755	69%	0.694	S	S	*	*	H	α-helix	trans	-73.3	-38.1	176.5	-76.1	-177.4	172	-177.8	-2	111.9	L14	R10-L14 WeakPolarHBondContact O-CB 3.4Å; R10-L14 PolarHBondContact O-N 3.46Å
11	L	58.2	Low	51.3	Low	109 Å²	109	134.9 Å²	134.9	57%	0.571	69%	0.686	S	S	*	*	H	α-helix	trans	-64.9	-40.9	172	-103.4	116	0	0	0	111.9	L14 V15	L11-L14 PolarHBondContact O-N 3.02Å; L11-V15 WeakPolarHBondContact O-CB 3.5Å; L11-V15 WeakPolarHBondContact O-CG2 3.22Å; L11-V15 PolarHBondContact O-N 3.37Å
12	L	59	Low	51.9	Low	128 Å²	128	128.4 Å²	128.4	67%	0.67	66%	0.662	S	S	*	*	H	α-helix	trans	-65.4	-40.8	178.1	-133.4	103.9	0	0	0	112	G8 V15 M16	G8-L12 PolarHBondContact O-N 2.84Å; L12-V15 PolarHBondContact O-N 2.84Å; L12-M16 WeakPolarHBondContact O-CB 3.2Å; L12-M16 PolarHBondContact O-N 3.29Å
13	F	60.7	Low	52.6	Low	150 Å²	150	124.5 Å²	124.5	66%	0.658	66%	0.655	S	S	*	*	H	α-helix	trans	-66.9	-38	173.9	-101.1	-86.7	0	0	0	112.5	G9 M16 W17	G9-F13 PolarHBondContact O-N 3.45Å; G9-F13 VanDerWaalsContact O-N 3.1Å; F13-M16 PolarHBondContact O-N 3.25Å; F13-W17 WeakPolarHBondContact O-CB 3.42Å; F13-W17 PolarHBondContact O-N 3.23Å
14	L	60.6	Low	53.4	Low	111 Å²	111	124.1 Å²	124.1	58%	0.581	65%	0.653	S	S	*	*	H	α-helix	trans	-66.9	-41.6	175.2	-117.3	151.7	0	0	0	111.9	R10 L11 W17 L18	R10-L14 WeakPolarHBondContact O-CB 3.4Å; R10-L14 PolarHBondContact O-N 3.46Å; L11-L14 PolarHBondContact O-N 3.02Å; L14-W17 PolarHBondContact O-N 2.94Å; L14-L18 HydrophobicContact CD2-CD1 3.99Å; L14-L18 VanDerWaalsContact O-CB 3.23Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 WeakPolarHBondContact O-CD1 3.38Å; L14-L18 VanDerWaalsContact O-CG 3.3Å; L14-L18 WeakPolarHBondContact O-CG 3.49Å; L14-L18 PolarHBondContact O-N 3.17Å
15	V	64.9	Low	54.3	Low	76 Å²	76	120.4 Å²	120.4	46%	0.461	63%	0.628	S	S	.	*	H	α-helix	trans	-66.9	-41.7	175	171.6	0	0	0	0	110.3	L11 L12 L18 N19	L11-V15 WeakPolarHBondContact O-CB 3.5Å; L11-V15 WeakPolarHBondContact O-CG2 3.22Å; L11-V15 PolarHBondContact O-N 3.37Å; L12-V15 PolarHBondContact O-N 2.84Å; V15-L18 PolarHBondContact O-N 3.45Å; V15-N19 WeakPolarHBondContact CG1-ND2 3.36Å; V15-N19 WeakPolarHBondContact O-CB 2.97Å; V15-N19 PolarHBondContact O-N 3.13Å; V15-N19 PolarHBondContact O-ND2 3.02Å
16	M	60	Low	56.1	Low	112 Å²	112	117.9 Å²	117.9	55%	0.552	62%	0.616	S	S	*	*	H	α-helix	trans	-69	-36.6	177.2	-161.9	175.3	149	0	0	111.3	L12 F13 N19 L20	L12-M16 WeakPolarHBondContact O-CB 3.2Å; L12-M16 PolarHBondContact O-N 3.29Å; F13-M16 PolarHBondContact O-N 3.25Å; M16-N19 CarbonylContact O-C 3.54Å; M16-N19 PolarHBondContact O-N 3.24Å; M16-L20 HydrophobicContact CE-CD1 4.26Å; M16-L20 HydrophobicContact CG-CD1 4.06Å; M16-L20 VanDerWaalsContact O-CB 3.25Å; M16-L20 WeakPolarHBondContact O-CB 3.4Å; M16-L20 VanDerWaalsContact O-CD1 3.3Å; M16-L20 WeakPolarHBondContact O-CD1 3.31Å; M16-L20 WeakPolarHBondContact O-CG 3.48Å; M16-L20 PolarHBondContact O-N 3.41Å
17	W	57.9	Low	58.2	Low	184 Å²	184	110.6 Å²	110.6	70%	0.697	59%	0.59	S	S	*	*	H	α-helix	trans	-68.8	-39.6	172.9	-159.4	-51.9	0	0	0	112.3	F13 L14 N19 L20 L21	F13-W17 WeakPolarHBondContact O-CB 3.42Å; F13-W17 PolarHBondContact O-N 3.23Å; L14-W17 PolarHBondContact O-N 2.94Å; W17-N19 VanDerWaalsContact C-N 3.3Å; W17-N19 PolarHBondContact O-N 3.21Å; W17-L20 CarbonylContact O-C 3.48Å; W17-L20 PolarHBondContact O-N 3.35Å; W17-L21 PolarHBondContact O-N 3.48Å
18	L	56	Low	60.3	Low	105 Å²	105	106 Å²	106	55%	0.55	57%	0.566	S	S	.	*	H	α-helix	trans	-66.2	-30.5	172.1	-82.1	157.7	0	0	0	112.2	L14 V15 L21	L14-L18 HydrophobicContact CD2-CD1 3.99Å; L14-L18 VanDerWaalsContact O-CB 3.23Å; L14-L18 WeakPolarHBondContact O-CB 3.48Å; L14-L18 WeakPolarHBondContact O-CD1 3.38Å; L14-L18 VanDerWaalsContact O-CG 3.3Å; L14-L18 WeakPolarHBondContact O-CG 3.49Å; L14-L18 PolarHBondContact O-N 3.17Å; V15-L18 PolarHBondContact O-N 3.45Å; L18-L21 HydrophobicContact CD2-CD1 4.12Å
19	N	53.9	Low	62.1	Low	128 Å²	128	108.8 Å²	108.8	68%	0.684	58%	0.584	S	S	*	*	H	α-helix	trans	-85.9	-10.7	172.4	-75.7	-67.6	0	0	0	113.7	V15 M16 W17	V15-N19 WeakPolarHBondContact CG1-ND2 3.36Å; V15-N19 WeakPolarHBondContact O-CB 2.97Å; V15-N19 PolarHBondContact O-N 3.13Å; V15-N19 PolarHBondContact O-ND2 3.02Å; M16-N19 CarbonylContact O-C 3.54Å; M16-N19 PolarHBondContact O-N 3.24Å; W17-N19 VanDerWaalsContact C-N 3.3Å; W17-N19 PolarHBondContact O-N 3.21Å
20	L	51.1	Low	63.8	Low	121 Å²	121	112.4 Å²	112.4	63%	0.634	59%	0.586	S	S	*	*	H	α-helix	trans	-96	-6.1	172.6	-89.4	152.2	0	0	0	112.4	M16 W17 P22	M16-L20 HydrophobicContact CE-CD1 4.26Å; M16-L20 HydrophobicContact CG-CD1 4.06Å; M16-L20 VanDerWaalsContact O-CB 3.25Å; M16-L20 WeakPolarHBondContact O-CB 3.4Å; M16-L20 VanDerWaalsContact O-CD1 3.3Å; M16-L20 WeakPolarHBondContact O-CD1 3.31Å; M16-L20 WeakPolarHBondContact O-CG 3.48Å; M16-L20 PolarHBondContact O-N 3.41Å; W17-L20 CarbonylContact O-C 3.48Å; W17-L20 PolarHBondContact O-N 3.35Å; L20-P22 WeakPolarHBondContact O-CD 3.15Å
21	L	43.8	Very low	65.6	Low	103 Å²	103	103.7 Å²	103.7	54%	0.539	56%	0.556	S	S	.	*	S	Bend	trans	-62.4	119.5	160.1	-76.7	163.5	0	0	0	106.2	W17 L18 Q23	W17-L21 PolarHBondContact O-N 3.48Å; L18-L21 HydrophobicContact CD2-CD1 4.12Å; L21-Q23 PolarHBondContact O-N 3.03Å
22	P	49.2	Very low	67.4	Low	105 Å²	105	103 Å²	103	68%	0.682	56%	0.556	S	S	*	*			trans	-52.4	127.1	171	22.3	-29.9	0	0	0	106	L20 T24	L20-P22 WeakPolarHBondContact O-CD 3.15Å; P22-T24 VanDerWaalsContact C-N 3.33Å; P22-T24 PolarHBondContact O-N 3Å
23	Q	46.4	Very low	69.2	Low	178 Å²	178	99 Å²	99	83%	0.832	54%	0.538	S	S	*	.			trans	-44.7	109.7	169.5	-86.4	-174.6	-10.7	0	0	105.5	L21 D25	L21-Q23 PolarHBondContact O-N 3.03Å; Q23-D25 PolarHBondContact O-N 2.93Å
24	T	50.1	Low	70.8	Confident	118 Å²	118	96 Å²	96	72%	0.724	52%	0.523	S	S	*	.			trans	-66.3	96	173.3	51	0	0	0	0	102.9	P22 S26	P22-T24 VanDerWaalsContact C-N 3.33Å; P22-T24 PolarHBondContact O-N 3Å; T24-S26 PolarHBondContact O-N 3.39Å; T24-S26 PolarHBondContact O-OG 2.87Å
25	D	60.9	Low	72.4	Confident	60 Å²	60	93.8 Å²	93.8	32%	0.321	52%	0.516	S	S	.	.			trans	-50.7	98.1	164.7	-84.9	-35	0	0	0	104.9	Q23 C27 P56 R58	Q23-D25 PolarHBondContact O-N 2.93Å; D25-C27 PolarHBondContact O-N 2.76Å; D25-P56 HydrophobicContact CB-CB 3.88Å; D25-P56 HydrophobicContact CB-CG 4.04Å; D25-R58 WeakPolarHBondContact OD2-CD 3.48Å; D25-R58 IonicContact OD2-CZ 3.45Å; D25-R58 IonicContact OD2-NE 3.25Å; D25-R58 PolarHBondContact OD2-NE 3.1Å; D25-R58 IonicContact OD2-NH2 2.78Å
26	S	82.4	Confident	73.7	Confident	75 Å²	75	98 Å²	98	52%	0.524	53%	0.531	S	S	.	.			trans	-62.1	113.3	-167.8	-70.8	0	0	0	0	107.7	T24	T24-S26 PolarHBondContact O-N 3.39Å; T24-S26 PolarHBondContact O-OG 2.87Å
27	C	91.5	Very high	75.2	Confident	48 Å²	48	98.3 Å²	98.3	32%	0.324	54%	0.541	S	S	.	.			trans	-65.9	134.5	176.2	-168.5	0	0	0	0	108.6	D25 A29 C31 C33	D25-C27 PolarHBondContact O-N 2.76Å; C27-A29 PolarHBondContact O-N 3Å; C27-C31 PolarHBondContact SG-O 2.9Å; C27-C31 VanDerWaalsContact SG-O 3.37Å; C27-C33 VanDerWaalsContact CA-SG 3.5Å; C27-C33 HydrophobicContact CB-CB 3.69Å; C27-C33 WeakPolarHBondContact CB-SG 3.26Å; C27-C33 WeakPolarHBondContact SG-CB 3.23Å; C27-C33 PolarHBondContact SG-N 2.93Å; C27-C33 CovalentContact SG-SG 2.04Å; C27-C33 PolarHBondContact SG-SG 3.35Å
28	P	93.9	Very high	77	Confident	14 Å²	14	93.4 Å²	93.4	9%	0.091	53%	0.525	C	S	.	.			trans	-56.5	137.3	176.7	7.6	-15.2	0	0	0	110.8	K30 C31 V41 P52 V54	P28-K30 PolarHBondContact O-N 3.48Å; P28-C31 HydrophobicContact CB-CB 4.21Å; P28-C31 HydrophobicContact CG-CB 3.85Å; P28-C31 WeakPolarHBondContact O-CA 3.21Å; P28-C31 WeakPolarHBondContact O-CB 3.4Å; P28-C31 PolarHBondContact O-N 2.78Å; P28-V41 HydrophobicContact CG-CG1 4.09Å; P28-P52 HydrophobicContact CB-CB 3.64Å; P28-P52 HydrophobicContact CB-CG 4.16Å; P28-P52 HydrophobicContact CG-CB 4.03Å; P28-P52 HydrophobicContact CG-CG 4.42Å; P28-V54 VanDerWaalsContact CD-O 3.29Å; P28-V54 WeakPolarHBondContact CD-O 3.33Å; P28-V54 VanDerWaalsContact CG-O 3.26Å; P28-V54 WeakPolarHBondContact CG-O 3.49Å
29	A	89.7	Confident	79	Confident	111 Å²	111	89.6 Å²	89.6	92%	0.917	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.5	-163.1	0	0	0	0	0	115.7	C27	C27-A29 PolarHBondContact O-N 3Å
30	K	92.6	Very high	81.1	Confident	124 Å²	124	83.7 Å²	83.7	54%	0.539	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	8.3	177.7	-68.2	-172.5	170.6	-169.4	0	113.2	P28 Q46 L48	P28-K30 PolarHBondContact O-N 3.48Å; K30-Q46 HydrophobicContact CB-CB 4.32Å; K30-Q46 HydrophobicContact CB-CG 4.43Å; K30-Q46 VanDerWaalsContact O-CD 3.3Å; K30-Q46 WeakPolarHBondContact O-CG 3.21Å; K30-Q46 PolarHBondContact O-OE1 2.88Å; K30-L48 HydrophobicContact CB-CD2 4.17Å; K30-L48 HydrophobicContact CD-CD2 3.66Å; K30-L48 HydrophobicContact CG-CD2 4.5Å
31	C	95.8	Very high	83.3	Confident	17 Å²	17	78 Å²	78	12%	0.115	45%	0.446	C	S	.	.	S	Bend	trans	-120.3	160	-171.8	-54.9	0	0	0	0	111.1	C27 P28 V41 A42 C43	C27-C31 PolarHBondContact SG-O 2.9Å; C27-C31 VanDerWaalsContact SG-O 3.37Å; P28-C31 HydrophobicContact CB-CB 4.21Å; P28-C31 HydrophobicContact CG-CB 3.85Å; P28-C31 WeakPolarHBondContact O-CA 3.21Å; P28-C31 WeakPolarHBondContact O-CB 3.4Å; P28-C31 PolarHBondContact O-N 2.78Å; C31-V41 HydrophobicContact CB-CG1 4.24Å; C31-A42 CarbonylContact C-O 2.91Å; C31-A42 VanDerWaalsContact CA-O 3.29Å; C31-A42 WeakPolarHBondContact CA-O 3.3Å; C31-A42 WeakPolarHBondContact CB-O 3.19Å; C31-C43 HydrophobicContact CB-CB 4.07Å; C31-C43 WeakPolarHBondContact CB-SG 3.4Å; C31-C43 WeakPolarHBondContact SG-CB 3.41Å; C31-C43 CovalentContact SG-SG 2.02Å; C31-C43 PolarHBondContact SG-SG 3.24Å
32	V	95.6	Very high	85.9	Confident	96 Å²	96	73.6 Å²	73.6	58%	0.582	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.8	173.1	-178.5	0	0	0	0	108.1	A42	V32-A42 HydrophobicContact CB-CB 4.46Å; V32-A42 PolarHBondContact N-O 3.18Å; V32-A42 PolarHBondContact O-N 3.3Å
33	C	96.1	Very high	88.1	Confident	42 Å²	42	68.7 Å²	68.7	28%	0.284	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.6	179.4	-57.8	0	0	0	0	110.2	C27 T40	C27-C33 VanDerWaalsContact CA-SG 3.5Å; C27-C33 HydrophobicContact CB-CB 3.69Å; C27-C33 WeakPolarHBondContact CB-SG 3.26Å; C27-C33 WeakPolarHBondContact SG-CB 3.23Å; C27-C33 PolarHBondContact SG-N 2.93Å; C27-C33 CovalentContact SG-SG 2.04Å; C27-C33 PolarHBondContact SG-SG 3.35Å; C33-T40 VanDerWaalsContact CA-O 3.3Å; C33-T40 WeakPolarHBondContact CA-O 3.47Å
34	Y	94.9	Very high	90.6	Very high	88 Å²	88	63.6 Å²	63.6	35%	0.345	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	151.7	178.5	56.4	-94.3	0	0	0	111	E36 P39 T40 A42	Y34-E36 WeakPolarHBondContact CD2-O 3.41Å; Y34-P39 CarbonylContact O-C 3.49Å; Y34-P39 WeakPolarHBondContact O-CA 3.42Å; Y34-T40 HydrophobicContact CE1-CG2 3.76Å; Y34-T40 HydrophobicContact CE2-CG2 3.97Å; Y34-T40 WeakPolarHBondContact CE2-OG1 3.45Å; Y34-T40 VanDerWaalsContact CZ-CG2 3.41Å; Y34-T40 PolarHBondContact N-O 2.71Å; Y34-T40 VanDerWaalsContact N-O 3.08Å; Y34-T40 PolarHBondContact O-N 3.49Å; Y34-T40 VanDerWaalsContact OH-CG2 3.27Å; Y34-T40 WeakPolarHBondContact OH-CG2 3.4Å; Y34-A42 HydrophobicContact CE1-CB 4.29Å
35	S	93.5	Very high	92.8	Very high	64 Å²	64	65.1 Å²	65.1	45%	0.448	37%	0.367	S	S	.	.			trans	-94.5	-25.1	-172.5	-61.8	0	0	0	0	113.9	K38 R58	S35-K38 CarbonylContact O-C 3.15Å; S35-R58 PolarHBondContact OG-NH1 3.05Å
36	E	92.3	Very high	94.5	Very high	165 Å²	165	66.5 Å²	66.5	77%	0.771	37%	0.372	S	S	*	.	S	Bend	trans	-116.2	142.7	-174.2	-66.9	-175	-175.6	0	0	112.1	Y34 K38	Y34-E36 WeakPolarHBondContact CD2-O 3.41Å; E36-K38 VanDerWaalsContact C-N 3.33Å
37	P	92.5	Very high	95.2	Very high	118 Å²	118	64.2 Å²	64.2	77%	0.766	36%	0.36	S	S	*	.	S	Bend	cis	-75.5	-17	-1.3	30.8	-36.2	0	0	0	113.6
38	K	95.2	Very high	95.5	Very high	82 Å²	82	62.8 Å²	62.8	36%	0.357	35%	0.349	S	S	.	.	S	Bend	trans	-137.6	147.1	173.3	-71.9	-173.8	169.8	-175.1	0	108.9	S35 E36 T40 Q60 R61	S35-K38 CarbonylContact O-C 3.15Å; E36-K38 VanDerWaalsContact C-N 3.33Å; K38-T40 PolarHBondContact O-N 3.19Å; K38-T40 VanDerWaalsContact O-N 3.07Å; K38-T40 PolarHBondContact O-OG1 2.89Å; K38-Q60 HydrophobicContact CB-CB 4.28Å; K38-Q60 VanDerWaalsContact CD-OE1 3.26Å; K38-Q60 VanDerWaalsContact CG-OE1 3.23Å; K38-R61 HydrophobicContact CB-CG 4.49Å
39	P	96.9	Very high	95.6	Very high	25 Å²	25	68.8 Å²	68.8	16%	0.162	37%	0.373	C	S	.	.			trans	-54.8	115.5	174.9	-26.4	34.6	0	0	0	111.6	Y34 R58 Q60 R61	Y34-P39 CarbonylContact O-C 3.49Å; Y34-P39 WeakPolarHBondContact O-CA 3.42Å; P39-R58 HydrophobicContact CB-CG 4.41Å; P39-R58 VanDerWaalsContact CB-O 3.3Å; P39-R58 WeakPolarHBondContact CB-O 3.5Å; P39-Q60 HydrophobicContact CG-CG 4.41Å; P39-Q60 PolarHBondContact O-N 3.43Å; P39-R61 PolarHBondContact O-N 2.98Å; P39-R61 VanDerWaalsContact O-N 3.08Å
40	T	97.9	Very high	95.9	Very high	4 Å²	4	66.8 Å²	66.8	3%	0.025	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.8	-171.1	-56	0	0	0	0	111.2	C33 Y34 K38 R61 F63	C33-T40 VanDerWaalsContact CA-O 3.3Å; C33-T40 WeakPolarHBondContact CA-O 3.47Å; Y34-T40 HydrophobicContact CE1-CG2 3.76Å; Y34-T40 HydrophobicContact CE2-CG2 3.97Å; Y34-T40 WeakPolarHBondContact CE2-OG1 3.45Å; Y34-T40 VanDerWaalsContact CZ-CG2 3.41Å; Y34-T40 PolarHBondContact N-O 2.71Å; Y34-T40 VanDerWaalsContact N-O 3.08Å; Y34-T40 PolarHBondContact O-N 3.49Å; Y34-T40 VanDerWaalsContact OH-CG2 3.27Å; Y34-T40 WeakPolarHBondContact OH-CG2 3.4Å; K38-T40 PolarHBondContact O-N 3.19Å; K38-T40 VanDerWaalsContact O-N 3.07Å; K38-T40 PolarHBondContact O-OG1 2.89Å; T40-R61 CarbonylContact C-O 3.57Å; T40-R61 VanDerWaalsContact CA-O 3.3Å; T40-R61 WeakPolarHBondContact CA-O 3.37Å; T40-R61 HydrophobicContact CG2-CB 3.84Å; T40-F63 HydrophobicContact CG2-CD2 3.8Å; T40-F63 HydrophobicContact CG2-CE2 3.56Å; T40-F63 HydrophobicContact CG2-CZ 4.34Å
41	V	97.5	Very high	96.1	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.012	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	109.2	172.3	-179	0	0	0	0	108.1	P28 C31 I55 P56 S59 R61 I62 F63	P28-V41 HydrophobicContact CG-CG1 4.09Å; C31-V41 HydrophobicContact CB-CG1 4.24Å; V41-I55 HydrophobicContact CG2-CG2 4.22Å; V41-P56 HydrophobicContact CG2-CG 4.2Å; V41-S59 WeakPolarHBondContact CG2-OG 3.48Å; V41-R61 PolarHBondContact N-O 3.45Å; V41-I62 HydrophobicContact CB-CG1 4.34Å; V41-I62 WeakPolarHBondContact O-CA 3.28Å; V41-F63 PolarHBondContact O-N 3.17Å
42	A	97.9	Very high	96	Very high	10 Å²	10	61.9 Å²	61.9	8%	0.083	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	109.5	-176.5	0	0	0	0	0	110.6	C31 V32 Y34 F63	C31-A42 CarbonylContact C-O 2.91Å; C31-A42 VanDerWaalsContact CA-O 3.29Å; C31-A42 WeakPolarHBondContact CA-O 3.3Å; C31-A42 WeakPolarHBondContact CB-O 3.19Å; V32-A42 HydrophobicContact CB-CB 4.46Å; V32-A42 PolarHBondContact N-O 3.18Å; V32-A42 PolarHBondContact O-N 3.3Å; Y34-A42 HydrophobicContact CE1-CB 4.29Å; A42-F63 HydrophobicContact CB-CD2 4.28Å
43	C	97.4	Very high	95.5	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.014	35%	0.348	C	S	.	.			trans	-126.3	20.7	-175.7	-57.4	0	0	0	0	112.3	C31 Q46 L48 F63 L64 N67	C31-C43 HydrophobicContact CB-CB 4.07Å; C31-C43 WeakPolarHBondContact CB-SG 3.4Å; C31-C43 WeakPolarHBondContact SG-CB 3.41Å; C31-C43 CovalentContact SG-SG 2.02Å; C31-C43 PolarHBondContact SG-SG 3.24Å; C43-Q46 WeakPolarHBondContact O-CG 3Å; C43-L48 HydrophobicContact CB-CD1 3.92Å; C43-F63 CarbonylContact C-O 3.09Å; C43-F63 WeakPolarHBondContact CA-O 3.45Å; C43-F63 WeakPolarHBondContact CB-O 3.46Å; C43-F63 PolarHBondContact N-O 3.37Å; C43-L64 HydrophobicContact CB-CD2 3.63Å; C43-L64 HydrophobicContact CB-CG 4.46Å; C43-N67 PolarHBondContact O-ND2 3.16Å
44	Q	97.3	Very high	95.1	Very high	71 Å²	71	66.3 Å²	66.3	33%	0.332	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	146	-175.8	68.5	-81.2	11.7	0	0	112.7	Q46 F63 Q65	Q44-Q46 VanDerWaalsContact C-N 3.28Å; Q44-Q46 WeakPolarHBondContact O-CG 3.49Å; Q44-Q46 PolarHBondContact O-N 3.2Å; Q44-Q46 PolarHBondContact O-NE2 3.43Å; Q44-Q46 VanDerWaalsContact O-NE2 3.17Å; Q44-F63 PolarHBondContact N-O 2.7Å; Q44-Q65 WeakPolarHBondContact CA-O 3.4Å; Q44-Q65 HydrophobicContact CB-CG 3.91Å
45	Q	96.9	Very high	95.1	Very high	149 Å²	149	63.1 Å²	63.1	70%	0.696	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	29.1	173	-57.1	177.5	14.9	0	0	115.3	Q65 S66	Q45-Q65 PolarHBondContact N-O 2.86Å; Q45-S66 VanDerWaalsContact CA-O 3.27Å; Q45-S66 WeakPolarHBondContact CA-O 3.44Å; Q45-S66 PolarHBondContact N-O 3.01Å
46	Q	97	Very high	95.1	Very high	90 Å²	90	60.6 Å²	60.6	42%	0.421	33%	0.329	S	S	.	.	S	Bend	trans	-97.9	1	-176.5	-61.3	-59	-41.9	0	0	113.6	K30 C43 Q44 L48 N67	K30-Q46 HydrophobicContact CB-CB 4.32Å; K30-Q46 HydrophobicContact CB-CG 4.43Å; K30-Q46 VanDerWaalsContact O-CD 3.3Å; K30-Q46 WeakPolarHBondContact O-CG 3.21Å; K30-Q46 PolarHBondContact O-OE1 2.88Å; C43-Q46 WeakPolarHBondContact O-CG 3Å; Q44-Q46 VanDerWaalsContact C-N 3.28Å; Q44-Q46 WeakPolarHBondContact O-CG 3.49Å; Q44-Q46 PolarHBondContact O-N 3.2Å; Q44-Q46 PolarHBondContact O-NE2 3.43Å; Q44-Q46 VanDerWaalsContact O-NE2 3.17Å; Q46-L48 VanDerWaalsContact C-N 3.27Å; Q46-L48 HydrophobicContact CB-CD1 4.37Å; Q46-L48 HydrophobicContact CB-CD2 4.24Å; Q46-L48 HydrophobicContact CB-CG 3.89Å; Q46-L48 PolarHBondContact O-N 2.71Å; Q46-N67 PolarHBondContact N-OD1 2.71Å
47	G	96.7	Very high	95.1	Very high	26 Å²	26	56.8 Å²	56.8	27%	0.268	32%	0.317	S	S	.	.			trans	63.2	32.3	-175.8	0	0	0	0	0	113	N67	G47-N67 PolarHBondContact N-OD1 3.23Å
48	L	96.9	Very high	95.2	Very high	18 Å²	18	56.2 Å²	56.2	9%	0.094	30%	0.3	C	S	.	.			trans	-68.3	132.3	-179.9	-60.7	174	0	0	0	110.9	K30 C43 Q46 P52 L64 N67 K68 L69	K30-L48 HydrophobicContact CB-CD2 4.17Å; K30-L48 HydrophobicContact CD-CD2 3.66Å; K30-L48 HydrophobicContact CG-CD2 4.5Å; C43-L48 HydrophobicContact CB-CD1 3.92Å; Q46-L48 VanDerWaalsContact C-N 3.27Å; Q46-L48 HydrophobicContact CB-CD1 4.37Å; Q46-L48 HydrophobicContact CB-CD2 4.24Å; Q46-L48 HydrophobicContact CB-CG 3.89Å; Q46-L48 PolarHBondContact O-N 2.71Å; L48-P52 HydrophobicContact CD1-CG 4.18Å; L48-L64 HydrophobicContact CD1-CD2 3.98Å; L48-N67 HydrophobicContact CB-CB 4.11Å; L48-N67 PolarHBondContact N-OD1 3.34Å; L48-K68 CarbonylContact O-C 3.13Å; L48-K68 WeakPolarHBondContact O-CA 3.09Å; L48-K68 WeakPolarHBondContact O-CB 3.26Å; L48-K68 PolarHBondContact O-N 3.26Å; L48-L69 HydrophobicContact CB-CD2 3.98Å; L48-L69 PolarHBondContact O-N 3.17Å
49	F	96.3	Very high	95.2	Very high	140 Å²	140	52.4 Å²	52.4	61%	0.614	28%	0.283	S	S	*	.	S	Bend	trans	-92.1	-15.2	173.4	-64.8	-84.8	0	0	0	112.9	K68	F49-K68 HydrophobicContact CD1-CB 3.94Å; F49-K68 HydrophobicContact CD1-CD 4.41Å; F49-K68 HydrophobicContact CE1-CB 4.09Å; F49-K68 HydrophobicContact CE1-CD 3.72Å; F49-K68 HydrophobicContact CZ-CD 3.89Å
50	S	96.1	Very high	95.3	Very high	69 Å²	69	53.9 Å²	53.9	48%	0.483	29%	0.288	S	S	.	.	S	Bend	trans	-145.5	152	-179.9	60.2	0	0	0	0	111	L69	S50-L69 WeakPolarHBondContact O-CD2 3.49Å
51	I	96.7	Very high	95.3	Very high	16 Å²	16	56.9 Å²	56.9	8%	0.082	30%	0.299	C	S	.	.			trans	-63	133.3	173.7	-61.1	165.6	0	0	0	108	I55 L64 L69 V72 F77	I51-I55 HydrophobicContact CG2-CD1 3.98Å; I51-L64 HydrophobicContact CG1-CD1 4.34Å; I51-L64 HydrophobicContact CG2-CD1 4.03Å; I51-L69 HydrophobicContact CG1-CD1 3.93Å; I51-L69 HydrophobicContact CG1-CD2 4.26Å; I51-V72 HydrophobicContact CD1-CB 4.38Å; I51-V72 HydrophobicContact CD1-CG1 4.02Å; I51-V72 HydrophobicContact CD1-CG2 4.33Å; I51-F77 HydrophobicContact CD1-CE2 3.9Å; I51-F77 HydrophobicContact CD1-CZ 3.76Å; I51-F77 HydrophobicContact CG1-CZ 4.42Å; I51-F77 HydrophobicContact CG2-CE1 4Å; I51-F77 HydrophobicContact CG2-CZ 4.01Å
52	P	93.3	Very high	95.3	Very high	23 Å²	23	56.8 Å²	56.8	15%	0.149	30%	0.299	C	S	.	.			trans	-57.9	138.2	178	-23.6	33.4	0	0	0	111.9	P28 L48 L64	P28-P52 HydrophobicContact CB-CB 3.64Å; P28-P52 HydrophobicContact CB-CG 4.16Å; P28-P52 HydrophobicContact CG-CB 4.03Å; P28-P52 HydrophobicContact CG-CG 4.42Å; L48-P52 HydrophobicContact CD1-CG 4.18Å; P52-L64 HydrophobicContact CG-CD2 4.46Å
53	T	86.4	Confident	95.4	Very high	146 Å²	146	57 Å²	57	90%	0.896	30%	0.297	S	S	*	.	S	Bend	trans	-77.5	-23.2	-176.4	49.9	0	0	0	0	113.7
54	V	87.6	Confident	95.4	Very high	84 Å²	84	56.9 Å²	56.9	51%	0.509	30%	0.297	S	S	.	.			trans	-112.1	94.4	-179.6	-173.2	0	0	0	0	108	P28	P28-V54 VanDerWaalsContact CD-O 3.29Å; P28-V54 WeakPolarHBondContact CD-O 3.33Å; P28-V54 VanDerWaalsContact CG-O 3.26Å; P28-V54 WeakPolarHBondContact CG-O 3.49Å
55	I	93.7	Very high	95.5	Very high	22 Å²	22	54.2 Å²	54.2	11%	0.113	28%	0.284	C	S	.	.			trans	-111.3	127.4	173.5	-60.9	177.5	0	0	0	107.3	V41 I51 V57 I62 F77	V41-I55 HydrophobicContact CG2-CG2 4.22Å; I51-I55 HydrophobicContact CG2-CD1 3.98Å; I55-V57 PolarHBondContact O-N 2.86Å; I55-I62 HydrophobicContact CD1-CD1 4.35Å; I55-I62 HydrophobicContact CG2-CD1 3.72Å; I55-I62 HydrophobicContact CG2-CG1 4.3Å; I55-F77 HydrophobicContact CD1-CD1 4.17Å; I55-F77 HydrophobicContact CD1-CE1 3.98Å
56	P	93.9	Very high	95.6	Very high	10 Å²	10	49.2 Å²	49.2	7%	0.065	27%	0.266	C	S	.	.			trans	-50.5	127.7	176.3	-30.1	35	0	0	0	112.8	D25 V41 R58 S59	D25-P56 HydrophobicContact CB-CB 3.88Å; D25-P56 HydrophobicContact CB-CG 4.04Å; V41-P56 HydrophobicContact CG2-CG 4.2Å; P56-R58 HydrophobicContact CB-CG 4.5Å; P56-R58 PolarHBondContact O-N 3.19Å; P56-S59 WeakPolarHBondContact O-CB 3.37Å; P56-S59 PolarHBondContact O-N 3.39Å; P56-S59 PolarHBondContact O-OG 3.41Å
57	V	93.3	Very high	95.6	Very high	86 Å²	86	45.5 Å²	45.5	52%	0.521	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.2	-175.4	177.1	0	0	0	0	112.3	I55 S59 S79	I55-V57 PolarHBondContact O-N 2.86Å; V57-S59 PolarHBondContact O-N 3.06Å; V57-S79 WeakPolarHBondContact CG1-O 3.2Å
58	R	93.5	Very high	95.7	Very high	105 Å²	105	49.7 Å²	49.7	40%	0.396	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	0.7	178.2	66.6	-178.7	174.2	101.6	1.9	114.7	D25 S35 P39 P56 Q60	D25-R58 WeakPolarHBondContact OD2-CD 3.48Å; D25-R58 IonicContact OD2-CZ 3.45Å; D25-R58 IonicContact OD2-NE 3.25Å; D25-R58 PolarHBondContact OD2-NE 3.1Å; D25-R58 IonicContact OD2-NH2 2.78Å; S35-R58 PolarHBondContact OG-NH1 3.05Å; P39-R58 HydrophobicContact CB-CG 4.41Å; P39-R58 VanDerWaalsContact CB-O 3.3Å; P39-R58 WeakPolarHBondContact CB-O 3.5Å; P56-R58 HydrophobicContact CB-CG 4.5Å; P56-R58 PolarHBondContact O-N 3.19Å; R58-Q60 PolarHBondContact O-N 3.25Å
59	S	96.3	Very high	95.7	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.014	26%	0.256	C	S	.	.			trans	-59.3	128.4	-177.5	-61.3	0	0	0	0	111.5	V41 P56 V57 N82 L83	V41-S59 WeakPolarHBondContact CG2-OG 3.48Å; P56-S59 WeakPolarHBondContact O-CB 3.37Å; P56-S59 PolarHBondContact O-N 3.39Å; P56-S59 PolarHBondContact O-OG 3.41Å; V57-S59 PolarHBondContact O-N 3.06Å; S59-N82 CarbonylContact O-C 3.51Å; S59-L83 PolarHBondContact O-N 3.17Å
60	Q	97.9	Very high	95.8	Very high	56 Å²	56	45 Å²	45	26%	0.262	24%	0.243	S	C	.	.	S	Bend	trans	-105.6	-21.9	173.6	-66.4	-169.1	-14.3	0	0	112.3	K38 P39 R58 N82 T84 V85	K38-Q60 HydrophobicContact CB-CB 4.28Å; K38-Q60 VanDerWaalsContact CD-OE1 3.26Å; K38-Q60 VanDerWaalsContact CG-OE1 3.23Å; P39-Q60 HydrophobicContact CG-CG 4.41Å; P39-Q60 PolarHBondContact O-N 3.43Å; R58-Q60 PolarHBondContact O-N 3.25Å; Q60-N82 HydrophobicContact CG-CB 4.42Å; Q60-T84 PolarHBondContact O-N 3.39Å; Q60-T84 PolarHBondContact O-OG1 3.37Å; Q60-V85 PolarHBondContact O-N 3.46Å; Q60-V85 VanDerWaalsContact O-N 3.09Å
61	R	98.6	Very high	95.9	Very high	67 Å²	67	43.1 Å²	43.1	25%	0.253	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.1	177.8	-54.8	174.8	74.4	-175.2	6.9	109.5	K38 P39 T40 V41 F63 V85	K38-R61 HydrophobicContact CB-CG 4.49Å; P39-R61 PolarHBondContact O-N 2.98Å; P39-R61 VanDerWaalsContact O-N 3.08Å; T40-R61 CarbonylContact C-O 3.57Å; T40-R61 VanDerWaalsContact CA-O 3.3Å; T40-R61 WeakPolarHBondContact CA-O 3.37Å; T40-R61 HydrophobicContact CG2-CB 3.84Å; V41-R61 PolarHBondContact N-O 3.45Å; R61-F63 HydrophobicContact CB-CE1 4.39Å; R61-F63 HydrophobicContact CB-CZ 4.17Å; R61-V85 WeakPolarHBondContact CA-O 3.35Å; R61-V85 HydrophobicContact CB-CB 4.4Å; R61-V85 HydrophobicContact CG-CB 4.16Å; R61-V85 HydrophobicContact CG-CG2 4.34Å
62	I	98.4	Very high	95.9	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123.6	176.2	-64.2	168.4	0	0	0	108.6	V41 I55 L64 F77 L83 V85 L86 W87	V41-I62 HydrophobicContact CB-CG1 4.34Å; V41-I62 WeakPolarHBondContact O-CA 3.28Å; I55-I62 HydrophobicContact CD1-CD1 4.35Å; I55-I62 HydrophobicContact CG2-CD1 3.72Å; I55-I62 HydrophobicContact CG2-CG1 4.3Å; I62-L64 HydrophobicContact CG2-CD1 3.58Å; I62-L64 HydrophobicContact CG2-CG 3.83Å; I62-F77 HydrophobicContact CD1-CD1 4Å; I62-F77 HydrophobicContact CD1-CE1 4.16Å; I62-F77 HydrophobicContact CG2-CE1 4.35Å; I62-L83 HydrophobicContact CB-CD1 4.07Å; I62-L83 HydrophobicContact CD1-CD1 3.55Å; I62-L83 HydrophobicContact CD1-CD2 3.96Å; I62-L83 HydrophobicContact CD1-CG 4.42Å; I62-L83 HydrophobicContact CG1-CD1 3.57Å; I62-V85 PolarHBondContact N-O 3.2Å; I62-L86 HydrophobicContact CB-CD1 3.91Å; I62-L86 HydrophobicContact CG2-CD1 3.92Å; I62-W87 PolarHBondContact O-N 2.88Å
63	F	98.6	Very high	96	Very high	13 Å²	13	46.9 Å²	46.9	6%	0.057	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	108.4	-179.4	-58.2	-38.3	0	0	0	110	T40 V41 A42 C43 Q44 R61 Q65 V85 W87	T40-F63 HydrophobicContact CG2-CD2 3.8Å; T40-F63 HydrophobicContact CG2-CE2 3.56Å; T40-F63 HydrophobicContact CG2-CZ 4.34Å; V41-F63 PolarHBondContact O-N 3.17Å; A42-F63 HydrophobicContact CB-CD2 4.28Å; C43-F63 CarbonylContact C-O 3.09Å; C43-F63 WeakPolarHBondContact CA-O 3.45Å; C43-F63 WeakPolarHBondContact CB-O 3.46Å; C43-F63 PolarHBondContact N-O 3.37Å; Q44-F63 PolarHBondContact N-O 2.7Å; R61-F63 HydrophobicContact CB-CE1 4.39Å; R61-F63 HydrophobicContact CB-CZ 4.17Å; F63-Q65 VanDerWaalsContact CB-OE1 3.26Å; F63-V85 HydrophobicContact CE1-CG1 4.09Å; F63-W87 HydrophobicContact CD1-CB 4.15Å; F63-W87 AromaticContact CD1-CD2 3.57Å; F63-W87 HydrophobicContact CD1-CD2 3.57Å; F63-W87 AromaticContact CD1-CE3 3.22Å; F63-W87 HydrophobicContact CD1-CE3 3.22Å; F63-W87 AromaticContact CD1-CG 3.98Å; F63-W87 HydrophobicContact CD1-CG 3.98Å; F63-W87 AromaticContact CD1-CZ3 3.85Å; F63-W87 HydrophobicContact CD1-CZ3 3.85Å; F63-W87 AromaticContact CE1-CD2 3.62Å; F63-W87 HydrophobicContact CE1-CD2 3.62Å; F63-W87 AromaticContact CE1-CE3 3.39Å; F63-W87 HydrophobicContact CE1-CE3 3.39Å; F63-W87 HydrophobicContact CE1-CG 4.29Å; F63-W87 HydrophobicContact CE1-CH2 4.07Å; F63-W87 HydrophobicContact CE1-CZ2 4.26Å; F63-W87 AromaticContact CE1-CZ3 3.63Å; F63-W87 HydrophobicContact CE1-CZ3 3.63Å; F63-W87 HydrophobicContact CG-CE3 4.01Å; F63-W87 HydrophobicContact CG-CZ3 4.49Å; F63-W87 HydrophobicContact CZ-CE3 4.27Å; F63-W87 HydrophobicContact CZ-CH2 4.43Å; F63-W87 HydrophobicContact CZ-CZ3 4.09Å
64	L	98.4	Very high	96.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.			trans	-124.1	11.8	-177.4	-75.8	163.4	0	0	0	111.8	C43 L48 I51 P52 I62 N67 L69 F77 W87 L88 N91	C43-L64 HydrophobicContact CB-CD2 3.63Å; C43-L64 HydrophobicContact CB-CG 4.46Å; L48-L64 HydrophobicContact CD1-CD2 3.98Å; I51-L64 HydrophobicContact CG1-CD1 4.34Å; I51-L64 HydrophobicContact CG2-CD1 4.03Å; P52-L64 HydrophobicContact CG-CD2 4.46Å; I62-L64 HydrophobicContact CG2-CD1 3.58Å; I62-L64 HydrophobicContact CG2-CG 3.83Å; L64-N67 PolarHBondContact O-ND2 2.85Å; L64-L69 HydrophobicContact CB-CD1 4.03Å; L64-F77 HydrophobicContact CD1-CE1 4.02Å; L64-F77 HydrophobicContact CD1-CZ 3.9Å; L64-W87 CarbonylContact C-O 3.56Å; L64-W87 WeakPolarHBondContact CA-O 2.95Å; L64-W87 WeakPolarHBondContact CB-O 2.98Å; L64-W87 PolarHBondContact N-O 3.02Å; L64-L88 HydrophobicContact CB-CD2 3.82Å; L64-L88 HydrophobicContact CD1-CD2 3.88Å; L64-N91 PolarHBondContact O-ND2 3.06Å
65	Q	98.6	Very high	96.7	Very high	15 Å²	15	43.1 Å²	43.1	7%	0.07	22%	0.218	C	C	.	.			trans	-63.1	160.4	180	70.8	-89.7	24.1	0	0	113.4	Q44 Q45 F63 N67 W87 Y89	Q44-Q65 WeakPolarHBondContact CA-O 3.4Å; Q44-Q65 HydrophobicContact CB-CG 3.91Å; Q45-Q65 PolarHBondContact N-O 2.86Å; F63-Q65 VanDerWaalsContact CB-OE1 3.26Å; Q65-N67 VanDerWaalsContact C-N 3.28Å; Q65-N67 PolarHBondContact O-N 2.91Å; Q65-N67 PolarHBondContact O-ND2 3.5Å; Q65-W87 PolarHBondContact N-O 3.29Å; Q65-Y89 CarbonylContact C-O 3.56Å; Q65-Y89 WeakPolarHBondContact CA-O 3.28Å; Q65-Y89 HydrophobicContact CB-CD1 3.61Å; Q65-Y89 HydrophobicContact CB-CD2 3.84Å; Q65-Y89 HydrophobicContact CB-CE1 3.43Å; Q65-Y89 VanDerWaalsContact CB-CE1 3.43Å; Q65-Y89 HydrophobicContact CB-CE2 3.68Å; Q65-Y89 HydrophobicContact CB-CG 3.81Å; Q65-Y89 VanDerWaalsContact CB-CZ 3.48Å; Q65-Y89 VanDerWaalsContact CB-O 3.3Å; Q65-Y89 WeakPolarHBondContact CB-O 3.46Å; Q65-Y89 HydrophobicContact CG-CD1 4.39Å; Q65-Y89 HydrophobicContact CG-CE1 3.69Å; Q65-Y89 HydrophobicContact CG-CE2 3.9Å; Q65-Y89 VanDerWaalsContact CG-CZ 3.42Å; Q65-Y89 WeakPolarHBondContact CG-OH 3.44Å
66	S	98.4	Very high	96.7	Very high	44 Å²	44	43.2 Å²	43.2	31%	0.308	22%	0.221	S	C	.	.	S	Bend	trans	57.3	40.8	175	-49.8	0	0	0	0	112.7	Q45 Y89 S90	Q45-S66 VanDerWaalsContact CA-O 3.27Å; Q45-S66 WeakPolarHBondContact CA-O 3.44Å; Q45-S66 PolarHBondContact N-O 3.01Å; S66-Y89 PolarHBondContact N-O 2.84Å; S66-S90 WeakPolarHBondContact CA-O 3.45Å; S66-S90 PolarHBondContact N-O 2.94Å
67	N	98.4	Very high	96.8	Very high	12 Å²	12	42.9 Å²	42.9	6%	0.064	22%	0.218	C	C	.	.	S	Bend	trans	-115	-162.9	174.6	-80.5	-65.2	0	0	0	109.8	C43 Q46 G47 L48 L64 Q65 L69 S90 N91	C43-N67 PolarHBondContact O-ND2 3.16Å; Q46-N67 PolarHBondContact N-OD1 2.71Å; G47-N67 PolarHBondContact N-OD1 3.23Å; L48-N67 HydrophobicContact CB-CB 4.11Å; L48-N67 PolarHBondContact N-OD1 3.34Å; L64-N67 PolarHBondContact O-ND2 2.85Å; Q65-N67 VanDerWaalsContact C-N 3.28Å; Q65-N67 PolarHBondContact O-N 2.91Å; Q65-N67 PolarHBondContact O-ND2 3.5Å; N67-L69 HydrophobicContact CB-CG 4.1Å; N67-S90 PolarHBondContact N-O 3.05Å; N67-N91 WeakPolarHBondContact CA-OD1 3.42Å; N67-N91 WeakPolarHBondContact CB-OD1 3.45Å; N67-N91 PolarHBondContact N-OD1 2.97Å; N67-N91 PolarHBondContact O-OD1 2.78Å
68	K	97.9	Very high	96.8	Very high	115 Å²	115	41.3 Å²	41.3	50%	0.5	21%	0.211	S	C	.	.			trans	-120.8	31.2	178.8	-59.4	-179.1	-179.7	178.9	0	110.8	L48 F49 N91	L48-K68 CarbonylContact O-C 3.13Å; L48-K68 WeakPolarHBondContact O-CA 3.09Å; L48-K68 WeakPolarHBondContact O-CB 3.26Å; L48-K68 PolarHBondContact O-N 3.26Å; F49-K68 HydrophobicContact CD1-CB 3.94Å; F49-K68 HydrophobicContact CD1-CD 4.41Å; F49-K68 HydrophobicContact CE1-CB 4.09Å; F49-K68 HydrophobicContact CE1-CD 3.72Å; F49-K68 HydrophobicContact CZ-CD 3.89Å; K68-N91 PolarHBondContact N-OD1 3.25Å
69	L	98.2	Very high	96.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.213	C	C	.	.			trans	-63.2	136.2	-178.9	-58.5	179.9	0	0	0	109.8	L48 S50 I51 L64 N67 L88 N91 N92 I93	L48-L69 HydrophobicContact CB-CD2 3.98Å; L48-L69 PolarHBondContact O-N 3.17Å; S50-L69 WeakPolarHBondContact O-CD2 3.49Å; I51-L69 HydrophobicContact CG1-CD1 3.93Å; I51-L69 HydrophobicContact CG1-CD2 4.26Å; L64-L69 HydrophobicContact CB-CD1 4.03Å; N67-L69 HydrophobicContact CB-CG 4.1Å; L69-L88 HydrophobicContact CD1-CD2 3.94Å; L69-N91 HydrophobicContact CB-CB 4.16Å; L69-N91 VanDerWaalsContact CB-OD1 3.32Å; L69-N91 WeakPolarHBondContact CB-OD1 3.43Å; L69-N91 WeakPolarHBondContact CG-OD1 3.44Å; L69-N91 PolarHBondContact N-OD1 3.3Å; L69-N92 CarbonylContact O-C 3.59Å; L69-N92 WeakPolarHBondContact O-CA 3.48Å; L69-N92 PolarHBondContact O-N 2.74Å; L69-I93 HydrophobicContact CB-CG1 4.26Å; L69-I93 PolarHBondContact O-N 3.06Å
70	T	97.6	Very high	96.6	Very high	57 Å²	57	39.3 Å²	39.3	35%	0.35	21%	0.213	S	C	.	.			trans	-111.3	-29.1	-178.7	54.4	0	0	0	0	113.9	N92 I93 T94 Y95	T70-N92 WeakPolarHBondContact CA-O 3.46Å; T70-I93 CarbonylContact O-C 3.07Å; T70-I93 WeakPolarHBondContact O-CA 3.15Å; T70-T94 PolarHBondContact O-N 3.1Å; T70-T94 PolarHBondContact O-OG1 2.86Å; T70-Y95 PolarHBondContact O-N 3.17Å
71	V	97.3	Very high	96.5	Very high	30 Å²	30	41.5 Å²	41.5	18%	0.182	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.7	-174.8	-178.6	0	0	0	0	110.6	R73 Y95	V71-R73 HydrophobicContact CG1-CG 3.92Å; V71-Y95 WeakPolarHBondContact CA-O 3.47Å; V71-Y95 HydrophobicContact CG1-CD1 4.17Å
72	V	97.6	Very high	96.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	110.4	167.2	-170.5	0	0	0	0	108.6	I51 F77 L88 I93 Y95 I96 E97 A100 F101	I51-V72 HydrophobicContact CD1-CB 4.38Å; I51-V72 HydrophobicContact CD1-CG1 4.02Å; I51-V72 HydrophobicContact CD1-CG2 4.33Å; V72-F77 HydrophobicContact CG1-CD2 4.44Å; V72-F77 HydrophobicContact CG1-CE2 3.9Å; V72-L88 HydrophobicContact CG2-CD1 4.15Å; V72-I93 HydrophobicContact CG2-CD1 3.81Å; V72-I93 HydrophobicContact CG2-CG1 4.37Å; V72-I93 HydrophobicContact CG2-CG2 4.14Å; V72-Y95 PolarHBondContact N-O 2.02Å; V72-Y95 VanDerWaalsContact N-O 3.08Å; V72-I96 HydrophobicContact CB-CG1 4.29Å; V72-I96 HydrophobicContact CB-CG2 4.38Å; V72-I96 HydrophobicContact CG2-CG1 4.25Å; V72-E97 PolarHBondContact O-N 3.22Å; V72-A100 HydrophobicContact CG1-CB 4Å; V72-F101 HydrophobicContact CG1-CE1 4.03Å; V72-F101 HydrophobicContact CG1-CZ 4.18Å
73	R	95.9	Very high	96.4	Very high	118 Å²	118	41.1 Å²	41.1	45%	0.445	23%	0.226	S	C	.	.			trans	-89.4	152.4	-178.8	-59.3	-169.4	172.3	82.5	0.4	112.1	V71 T75 S76 E97	V71-R73 HydrophobicContact CG1-CG 3.92Å; R73-T75 PolarHBondContact O-N 2.91Å; R73-T75 VanDerWaalsContact O-N 3.17Å; R73-S76 WeakPolarHBondContact CA-OG 3.31Å; R73-S76 WeakPolarHBondContact CB-OG 3.22Å; R73-S76 PolarHBondContact N-OG 3.3Å; R73-S76 VanDerWaalsContact O-CB 3.31Å; R73-S76 WeakPolarHBondContact O-CB 3.45Å; R73-S76 PolarHBondContact O-N 2.83Å; R73-S76 PolarHBondContact O-OG 2.96Å; R73-E97 VanDerWaalsContact CA-OE2 3.28Å; R73-E97 WeakPolarHBondContact CA-OE2 3.13Å; R73-E97 WeakPolarHBondContact CB-OE2 3.42Å; R73-E97 WeakPolarHBondContact CG-OE1 3.08Å
74	S	94	Very high	96.4	Very high	49 Å²	49	41 Å²	41	34%	0.343	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-29.4	170.9	52.8	0	0	0	0	114.2	E97	S74-E97 PolarHBondContact N-OE2 3.09Å; S74-E97 PolarHBondContact OG-OE2 3.21Å
75	T	93.3	Very high	96.4	Very high	102 Å²	102	41.8 Å²	41.8	63%	0.626	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-9.6	178.7	54.9	0	0	0	0	114.3	R73 F77 S78	R73-T75 PolarHBondContact O-N 2.91Å; R73-T75 VanDerWaalsContact O-N 3.17Å; T75-F77 VanDerWaalsContact C-N 3.32Å; T75-F77 PolarHBondContact O-N 3.14Å; T75-S78 PolarHBondContact O-OG 3.33Å
76	S	94.8	Very high	96.4	Very high	25 Å²	25	41.1 Å²	41.1	18%	0.175	23%	0.228	C	C	.	.	S	Bend	trans	-65.4	-34.7	-169.3	-45.3	0	0	0	0	113.2	R73	R73-S76 WeakPolarHBondContact CA-OG 3.31Å; R73-S76 WeakPolarHBondContact CB-OG 3.22Å; R73-S76 PolarHBondContact N-OG 3.3Å; R73-S76 VanDerWaalsContact O-CB 3.31Å; R73-S76 WeakPolarHBondContact O-CB 3.45Å; R73-S76 PolarHBondContact O-N 2.83Å; R73-S76 PolarHBondContact O-OG 2.96Å
77	F	95.8	Very high	96.5	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.009	22%	0.224	C	C	.	.	S	Bend	trans	-127.9	10.8	-175.7	-53.6	-65.5	0	0	0	113	I51 I55 I62 L64 V72 T75 S79 C80 L86 L88 F101 L104	I51-F77 HydrophobicContact CD1-CE2 3.9Å; I51-F77 HydrophobicContact CD1-CZ 3.76Å; I51-F77 HydrophobicContact CG1-CZ 4.42Å; I51-F77 HydrophobicContact CG2-CE1 4Å; I51-F77 HydrophobicContact CG2-CZ 4.01Å; I55-F77 HydrophobicContact CD1-CD1 4.17Å; I55-F77 HydrophobicContact CD1-CE1 3.98Å; I62-F77 HydrophobicContact CD1-CD1 4Å; I62-F77 HydrophobicContact CD1-CE1 4.16Å; I62-F77 HydrophobicContact CG2-CE1 4.35Å; L64-F77 HydrophobicContact CD1-CE1 4.02Å; L64-F77 HydrophobicContact CD1-CZ 3.9Å; V72-F77 HydrophobicContact CG1-CD2 4.44Å; V72-F77 HydrophobicContact CG1-CE2 3.9Å; T75-F77 VanDerWaalsContact C-N 3.32Å; T75-F77 PolarHBondContact O-N 3.14Å; F77-S79 PolarHBondContact O-N 2.77Å; F77-C80 PolarHBondContact O-N 3.13Å; F77-L86 HydrophobicContact CD2-CD2 3.94Å; F77-L86 HydrophobicContact CE1-CD1 3.92Å; F77-L86 HydrophobicContact CE1-CD2 4.47Å; F77-L86 HydrophobicContact CE2-CD1 4.33Å; F77-L86 HydrophobicContact CE2-CD2 3.7Å; F77-L86 HydrophobicContact CG-CD2 4.41Å; F77-L86 HydrophobicContact CZ-CD1 3.75Å; F77-L86 HydrophobicContact CZ-CD2 3.99Å; F77-L88 HydrophobicContact CE2-CD1 4.42Å; F77-L88 HydrophobicContact CZ-CD2 4.35Å; F77-F101 HydrophobicContact CD2-CD1 4.49Å; F77-F101 HydrophobicContact CE2-CE1 4.46Å; F77-L104 HydrophobicContact CB-CD1 4.13Å; F77-L104 HydrophobicContact CB-CD2 4.16Å
78	S	92.6	Very high	96.5	Very high	54 Å²	54	41.1 Å²	41.1	38%	0.378	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.7	-170.7	61.1	0	0	0	0	114.1	T75 H81	T75-S78 PolarHBondContact O-OG 3.33Å; S78-H81 PolarHBondContact O-CE1 2.98Å; S78-H81 PolarHBondContact O-NE2 2.81Å
79	S	91.9	Very high	96.5	Very high	62 Å²	62	38.5 Å²	38.5	43%	0.434	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-11.4	177.6	-53.6	0	0	0	0	113.7	V57 F77 H81	V57-S79 WeakPolarHBondContact CG1-O 3.2Å; F77-S79 PolarHBondContact O-N 2.77Å; S79-H81 VanDerWaalsContact C-N 3.3Å; S79-H81 PolarHBondContact O-N 3.12Å
80	C	95.1	Very high	96.5	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.014	22%	0.22	C	C	.	.			trans	-88	54.8	-172.3	-63.3	0	0	0	0	112.3	F77 N82 L83 L104	F77-C80 PolarHBondContact O-N 3.13Å; C80-N82 PolarHBondContact O-N 3.21Å; C80-L83 HydrophobicContact CB-CB 4.25Å; C80-L83 WeakPolarHBondContact O-CB 3.5Å; C80-L83 PolarHBondContact O-N 3.06Å; C80-L104 HydrophobicContact CB-CD2 4.38Å; C80-L104 VanDerWaalsContact O-CD2 3.3Å; C80-L104 WeakPolarHBondContact O-CD2 3.32Å
81	H	95.3	Very high	96.6	Very high	103 Å²	103	38.3 Å²	38.3	48%	0.477	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.7	-174.8	-56.3	-60.5	0	0	0	114.9	S78 S79 G103	S78-H81 PolarHBondContact O-CE1 2.98Å; S78-H81 PolarHBondContact O-NE2 2.81Å; S79-H81 VanDerWaalsContact C-N 3.3Å; S79-H81 PolarHBondContact O-N 3.12Å; H81-G103 PolarHBondContact ND1-O 2.87Å
82	N	96.7	Very high	96.6	Very high	60 Å²	60	40 Å²	40	32%	0.321	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	4.6	178.3	-71.1	-36.7	0	0	0	113.9	S59 Q60 C80 T84 K106	S59-N82 CarbonylContact O-C 3.51Å; Q60-N82 HydrophobicContact CG-CB 4.42Å; C80-N82 PolarHBondContact O-N 3.21Å; N82-T84 PolarHBondContact O-N 2.96Å; N82-K106 PolarHBondContact OD1-NZ 3.1Å
83	L	98.3	Very high	96.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.			trans	-64.7	125.7	-177.6	-166.2	63.2	0	0	0	111	S59 I62 C80 V85 L86 L104 K106 L107	S59-L83 PolarHBondContact O-N 3.17Å; I62-L83 HydrophobicContact CB-CD1 4.07Å; I62-L83 HydrophobicContact CD1-CD1 3.55Å; I62-L83 HydrophobicContact CD1-CD2 3.96Å; I62-L83 HydrophobicContact CD1-CG 4.42Å; I62-L83 HydrophobicContact CG1-CD1 3.57Å; C80-L83 HydrophobicContact CB-CB 4.25Å; C80-L83 WeakPolarHBondContact O-CB 3.5Å; C80-L83 PolarHBondContact O-N 3.06Å; L83-V85 WeakPolarHBondContact CD1-O 3.5Å; L83-L86 HydrophobicContact CD2-CB 3.98Å; L83-L86 HydrophobicContact CD2-CD1 4.44Å; L83-L86 HydrophobicContact CD2-CD2 4.17Å; L83-L86 HydrophobicContact CD2-CG 4.42Å; L83-L104 HydrophobicContact CB-CD2 4.25Å; L83-L104 HydrophobicContact CD2-CD1 4.14Å; L83-L104 HydrophobicContact CD2-CD2 4.28Å; L83-K106 CarbonylContact O-C 3.56Å; L83-L107 HydrophobicContact CB-CD1 4.38Å; L83-L107 HydrophobicContact CD2-CD1 4.07Å; L83-L107 HydrophobicContact CG-CD1 3.83Å; L83-L107 VanDerWaalsContact O-CA 3.26Å; L83-L107 WeakPolarHBondContact O-CA 3.48Å; L83-L107 PolarHBondContact O-N 3.39Å; L83-L107 VanDerWaalsContact O-N 3.13Å
84	T	98.6	Very high	96.7	Very high	11 Å²	11	37.5 Å²	37.5	7%	0.067	21%	0.214	C	C	.	.			trans	-109	-30.3	175.9	58.4	0	0	0	0	112.4	Q60 N82 E108 E109	Q60-T84 PolarHBondContact O-N 3.39Å; Q60-T84 PolarHBondContact O-OG1 3.37Å; N82-T84 PolarHBondContact O-N 2.96Å; T84-E108 WeakPolarHBondContact O-CA 3.21Å; T84-E108 PolarHBondContact O-N 3Å; T84-E109 PolarHBondContact O-N 3.06Å
85	V	98.8	Very high	96.8	Very high	16 Å²	16	40.6 Å²	40.6	10%	0.097	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127.6	-178.7	-178.2	0	0	0	0	110.1	Q60 R61 I62 F63 L83 W87 E109	Q60-V85 PolarHBondContact O-N 3.46Å; Q60-V85 VanDerWaalsContact O-N 3.09Å; R61-V85 WeakPolarHBondContact CA-O 3.35Å; R61-V85 HydrophobicContact CB-CB 4.4Å; R61-V85 HydrophobicContact CG-CB 4.16Å; R61-V85 HydrophobicContact CG-CG2 4.34Å; I62-V85 PolarHBondContact N-O 3.2Å; F63-V85 HydrophobicContact CE1-CG1 4.09Å; L83-V85 WeakPolarHBondContact CD1-O 3.5Å; V85-W87 HydrophobicContact CG1-CD2 4.48Å; V85-W87 HydrophobicContact CG1-CG 4.43Å; V85-E109 HydrophobicContact CG1-CB 4.38Å; V85-E109 HydrophobicContact CG2-CB 4.39Å
86	L	98.8	Very high	97	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	116.9	175.3	178.5	56.2	0	0	0	110.7	I62 F77 L83 L88 F101 L107 E109 L110 D111	I62-L86 HydrophobicContact CB-CD1 3.91Å; I62-L86 HydrophobicContact CG2-CD1 3.92Å; F77-L86 HydrophobicContact CD2-CD2 3.94Å; F77-L86 HydrophobicContact CE1-CD1 3.92Å; F77-L86 HydrophobicContact CE1-CD2 4.47Å; F77-L86 HydrophobicContact CE2-CD1 4.33Å; F77-L86 HydrophobicContact CE2-CD2 3.7Å; F77-L86 HydrophobicContact CG-CD2 4.41Å; F77-L86 HydrophobicContact CZ-CD1 3.75Å; F77-L86 HydrophobicContact CZ-CD2 3.99Å; L83-L86 HydrophobicContact CD2-CB 3.98Å; L83-L86 HydrophobicContact CD2-CD1 4.44Å; L83-L86 HydrophobicContact CD2-CD2 4.17Å; L83-L86 HydrophobicContact CD2-CG 4.42Å; L86-L88 HydrophobicContact CD1-CD1 4.46Å; L86-L88 HydrophobicContact CD1-CD2 4.48Å; L86-L88 HydrophobicContact CD1-CG 4.17Å; L86-L88 HydrophobicContact CD2-CD1 4.05Å; L86-L88 HydrophobicContact CG-CD1 4.11Å; L86-L88 HydrophobicContact CG-CG 4.16Å; L86-F101 HydrophobicContact CD2-CD1 4.1Å; L86-F101 HydrophobicContact CD2-CE1 3.89Å; L86-L107 HydrophobicContact CB-CD1 3.97Å; L86-E109 PolarHBondContact N-O 3.41Å; L86-L110 HydrophobicContact CB-CD1 4.04Å; L86-L110 HydrophobicContact CD2-CD1 3.86Å; L86-L110 HydrophobicContact CG-CD1 3.96Å; L86-D111 PolarHBondContact O-N 3.29Å
87	W	98.9	Very high	97.1	Very high	57 Å²	57	37.1 Å²	37.1	22%	0.216	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.2	176.4	-65.9	-15.3	0	0	0	111.5	I62 F63 L64 Q65 V85 Y89 E109 D111	I62-W87 PolarHBondContact O-N 2.88Å; F63-W87 HydrophobicContact CD1-CB 4.15Å; F63-W87 AromaticContact CD1-CD2 3.57Å; F63-W87 HydrophobicContact CD1-CD2 3.57Å; F63-W87 AromaticContact CD1-CE3 3.22Å; F63-W87 HydrophobicContact CD1-CE3 3.22Å; F63-W87 AromaticContact CD1-CG 3.98Å; F63-W87 HydrophobicContact CD1-CG 3.98Å; F63-W87 AromaticContact CD1-CZ3 3.85Å; F63-W87 HydrophobicContact CD1-CZ3 3.85Å; F63-W87 AromaticContact CE1-CD2 3.62Å; F63-W87 HydrophobicContact CE1-CD2 3.62Å; F63-W87 AromaticContact CE1-CE3 3.39Å; F63-W87 HydrophobicContact CE1-CE3 3.39Å; F63-W87 HydrophobicContact CE1-CG 4.29Å; F63-W87 HydrophobicContact CE1-CH2 4.07Å; F63-W87 HydrophobicContact CE1-CZ2 4.26Å; F63-W87 AromaticContact CE1-CZ3 3.63Å; F63-W87 HydrophobicContact CE1-CZ3 3.63Å; F63-W87 HydrophobicContact CG-CE3 4.01Å; F63-W87 HydrophobicContact CG-CZ3 4.49Å; F63-W87 HydrophobicContact CZ-CE3 4.27Å; F63-W87 HydrophobicContact CZ-CH2 4.43Å; F63-W87 HydrophobicContact CZ-CZ3 4.09Å; L64-W87 CarbonylContact C-O 3.56Å; L64-W87 WeakPolarHBondContact CA-O 2.95Å; L64-W87 WeakPolarHBondContact CB-O 2.98Å; L64-W87 PolarHBondContact N-O 3.02Å; Q65-W87 PolarHBondContact N-O 3.29Å; V85-W87 HydrophobicContact CG1-CD2 4.48Å; V85-W87 HydrophobicContact CG1-CG 4.43Å; W87-Y89 HydrophobicContact CB-CD1 3.99Å; W87-Y89 HydrophobicContact CB-CE1 4.01Å; W87-Y89 HydrophobicContact CD2-CE1 4.08Å; W87-Y89 HydrophobicContact CE3-CE1 4.06Å; W87-Y89 HydrophobicContact CG-CD1 4.29Å; W87-Y89 HydrophobicContact CG-CE1 4.09Å; W87-E109 PolarHBondContact NE1-OE1 3.45Å; W87-D111 HydrophobicContact CG-CB 4.46Å
88	L	98.6	Very high	97	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.			trans	-126.6	9	179.7	-67.5	167.2	0	0	0	111.8	L64 L69 V72 F77 L86 N91 I93 F101 D111 I112 N115	L64-L88 HydrophobicContact CB-CD2 3.82Å; L64-L88 HydrophobicContact CD1-CD2 3.88Å; L69-L88 HydrophobicContact CD1-CD2 3.94Å; V72-L88 HydrophobicContact CG2-CD1 4.15Å; F77-L88 HydrophobicContact CE2-CD1 4.42Å; F77-L88 HydrophobicContact CZ-CD2 4.35Å; L86-L88 HydrophobicContact CD1-CD1 4.46Å; L86-L88 HydrophobicContact CD1-CD2 4.48Å; L86-L88 HydrophobicContact CD1-CG 4.17Å; L86-L88 HydrophobicContact CD2-CD1 4.05Å; L86-L88 HydrophobicContact CG-CD1 4.11Å; L86-L88 HydrophobicContact CG-CG 4.16Å; L88-N91 PolarHBondContact O-ND2 3.34Å; L88-I93 HydrophobicContact CB-CD1 4.04Å; L88-F101 HydrophobicContact CD1-CE1 4.17Å; L88-F101 HydrophobicContact CD1-CZ 4.38Å; L88-D111 CarbonylContact C-O 3.48Å; L88-D111 WeakPolarHBondContact CA-O 3.4Å; L88-D111 WeakPolarHBondContact CB-O 3.36Å; L88-D111 PolarHBondContact N-O 2.8Å; L88-I112 HydrophobicContact CD1-CG1 4.47Å; L88-N115 PolarHBondContact O-ND2 3.3Å; L88-N115 VanDerWaalsContact O-ND2 3.15Å
89	Y	98.8	Very high	97	Very high	60 Å²	60	37.4 Å²	37.4	24%	0.235	20%	0.2	C	C	.	.			trans	-67.2	158.9	-174.9	70.5	-95	0	0	0	113.8	Q65 S66 W87 N91 D111 G113	Q65-Y89 CarbonylContact C-O 3.56Å; Q65-Y89 WeakPolarHBondContact CA-O 3.28Å; Q65-Y89 HydrophobicContact CB-CD1 3.61Å; Q65-Y89 HydrophobicContact CB-CD2 3.84Å; Q65-Y89 HydrophobicContact CB-CE1 3.43Å; Q65-Y89 VanDerWaalsContact CB-CE1 3.43Å; Q65-Y89 HydrophobicContact CB-CE2 3.68Å; Q65-Y89 HydrophobicContact CB-CG 3.81Å; Q65-Y89 VanDerWaalsContact CB-CZ 3.48Å; Q65-Y89 VanDerWaalsContact CB-O 3.3Å; Q65-Y89 WeakPolarHBondContact CB-O 3.46Å; Q65-Y89 HydrophobicContact CG-CD1 4.39Å; Q65-Y89 HydrophobicContact CG-CE1 3.69Å; Q65-Y89 HydrophobicContact CG-CE2 3.9Å; Q65-Y89 VanDerWaalsContact CG-CZ 3.42Å; Q65-Y89 WeakPolarHBondContact CG-OH 3.44Å; S66-Y89 PolarHBondContact N-O 2.84Å; W87-Y89 HydrophobicContact CB-CD1 3.99Å; W87-Y89 HydrophobicContact CB-CE1 4.01Å; W87-Y89 HydrophobicContact CD2-CE1 4.08Å; W87-Y89 HydrophobicContact CE3-CE1 4.06Å; W87-Y89 HydrophobicContact CG-CD1 4.29Å; W87-Y89 HydrophobicContact CG-CE1 4.09Å; Y89-N91 PolarHBondContact O-N 3.07Å; Y89-N91 PolarHBondContact O-ND2 2.9Å; Y89-D111 WeakPolarHBondContact CB-OD1 3.3Å; Y89-D111 HydrophobicContact CD1-CB 4.22Å; Y89-D111 WeakPolarHBondContact CD1-OD2 3.5Å; Y89-D111 PolarHBondContact N-O 3.19Å; Y89-G113 CarbonylContact C-O 3.55Å; Y89-G113 WeakPolarHBondContact CA-O 3.2Å; Y89-G113 VanDerWaalsContact CB-O 3.28Å; Y89-G113 WeakPolarHBondContact CB-O 3.45Å
90	S	98.6	Very high	97.2	Very high	37 Å²	37	34.5 Å²	34.5	26%	0.259	18%	0.18	S	C	.	.	S	Bend	trans	51.7	54	-178.1	-59.1	0	0	0	0	111.9	S66 N67 G113 D114	S66-S90 WeakPolarHBondContact CA-O 3.45Å; S66-S90 PolarHBondContact N-O 2.94Å; N67-S90 PolarHBondContact N-O 3.05Å; S90-G113 PolarHBondContact N-O 3.02Å; S90-D114 WeakPolarHBondContact CB-OD2 3.39Å; S90-D114 PolarHBondContact OG-OD2 3.05Å
91	N	98.6	Very high	97.2	Very high	16 Å²	16	34.5 Å²	34.5	9%	0.086	18%	0.18	C	C	.	.	S	Bend	trans	-117.2	-163.9	172.4	-89.6	-76.6	0	0	0	109.4	L64 N67 K68 L69 L88 Y89 I93 N115	L64-N91 PolarHBondContact O-ND2 3.06Å; N67-N91 WeakPolarHBondContact CA-OD1 3.42Å; N67-N91 WeakPolarHBondContact CB-OD1 3.45Å; N67-N91 PolarHBondContact N-OD1 2.97Å; N67-N91 PolarHBondContact O-OD1 2.78Å; K68-N91 PolarHBondContact N-OD1 3.25Å; L69-N91 HydrophobicContact CB-CB 4.16Å; L69-N91 VanDerWaalsContact CB-OD1 3.32Å; L69-N91 WeakPolarHBondContact CB-OD1 3.43Å; L69-N91 WeakPolarHBondContact CG-OD1 3.44Å; L69-N91 PolarHBondContact N-OD1 3.3Å; L88-N91 PolarHBondContact O-ND2 3.34Å; Y89-N91 PolarHBondContact O-N 3.07Å; Y89-N91 PolarHBondContact O-ND2 2.9Å; N91-I93 HydrophobicContact CB-CD1 4.19Å; N91-I93 HydrophobicContact CB-CG1 3.97Å; N91-N115 VanDerWaalsContact CA-OD1 3.27Å; N91-N115 WeakPolarHBondContact CA-OD1 3.02Å; N91-N115 WeakPolarHBondContact CB-OD1 3.47Å; N91-N115 PolarHBondContact N-OD1 3.04Å; N91-N115 PolarHBondContact O-OD1 3.24Å
92	N	97.7	Very high	97.2	Very high	67 Å²	67	36.2 Å²	36.2	36%	0.358	19%	0.186	S	C	.	.			trans	-120.6	39.9	172.4	-169.2	41.7	0	0	0	110.9	L69 T70 T94 N115 N117	L69-N92 CarbonylContact O-C 3.59Å; L69-N92 WeakPolarHBondContact O-CA 3.48Å; L69-N92 PolarHBondContact O-N 2.74Å; T70-N92 WeakPolarHBondContact CA-O 3.46Å; N92-T94 PolarHBondContact O-N 2.92Å; N92-N115 PolarHBondContact N-OD1 3Å; N92-N117 PolarHBondContact OD1-ND2 3.15Å
93	I	98.4	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.			trans	-66.9	120.7	-174.9	-61.1	167.1	0	0	0	108.1	L69 T70 V72 L88 N91 I96 N115 L118	L69-I93 HydrophobicContact CB-CG1 4.26Å; L69-I93 PolarHBondContact O-N 3.06Å; T70-I93 CarbonylContact O-C 3.07Å; T70-I93 WeakPolarHBondContact O-CA 3.15Å; V72-I93 HydrophobicContact CG2-CD1 3.81Å; V72-I93 HydrophobicContact CG2-CG1 4.37Å; V72-I93 HydrophobicContact CG2-CG2 4.14Å; L88-I93 HydrophobicContact CB-CD1 4.04Å; N91-I93 HydrophobicContact CB-CD1 4.19Å; N91-I93 HydrophobicContact CB-CG1 3.97Å; I93-I96 HydrophobicContact CG2-CG1 4Å; I93-N115 HydrophobicContact CB-CB 4.14Å; I93-N115 WeakPolarHBondContact CB-OD1 3.35Å; I93-N115 WeakPolarHBondContact CG1-OD1 3.46Å; I93-N115 PolarHBondContact N-OD1 3.29Å; I93-L118 HydrophobicContact CG2-CD1 4.3Å; I93-L118 WeakPolarHBondContact O-CA 3.11Å; I93-L118 PolarHBondContact O-N 2.98Å
94	T	97.5	Very high	97	Very high	64 Å²	64	34.1 Å²	34.1	39%	0.393	18%	0.179	S	C	.	.			trans	-103.8	-20.2	176.8	59.3	0	0	0	0	112	T70 N92 N117	T70-T94 PolarHBondContact O-N 3.1Å; T70-T94 PolarHBondContact O-OG1 2.86Å; N92-T94 PolarHBondContact O-N 2.92Å; T94-N117 HydrophobicContact CG2-CB 3.85Å
95	Y	96.8	Very high	96.9	Very high	115 Å²	115	39.7 Å²	39.7	45%	0.451	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	136.7	-174.1	-175.5	-113.5	0	0	0	112.6	T70 V71 V72 E97	T70-Y95 PolarHBondContact O-N 3.17Å; V71-Y95 WeakPolarHBondContact CA-O 3.47Å; V71-Y95 HydrophobicContact CG1-CD1 4.17Å; V72-Y95 PolarHBondContact N-O 2.02Å; V72-Y95 VanDerWaalsContact N-O 3.08Å; Y95-E97 HydrophobicContact CD1-CG 4.2Å; Y95-E97 HydrophobicContact CE1-CB 4.37Å; Y95-E97 HydrophobicContact CE1-CG 3.54Å
96	I	97.4	Very high	96.8	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.2	173	-60.3	173.3	0	0	0	106.9	V72 I93 A100 F101 I112 L118 A125	V72-I96 HydrophobicContact CB-CG1 4.29Å; V72-I96 HydrophobicContact CB-CG2 4.38Å; V72-I96 HydrophobicContact CG2-CG1 4.25Å; I93-I96 HydrophobicContact CG2-CG1 4Å; I96-A100 HydrophobicContact CG2-CB 3.43Å; I96-A100 VanDerWaalsContact CG2-CB 3.43Å; I96-F101 HydrophobicContact CG2-CE2 3.85Å; I96-F101 HydrophobicContact CG2-CZ 4.23Å; I96-I112 HydrophobicContact CD1-CD1 4.09Å; I96-I112 HydrophobicContact CD1-CG2 4.07Å; I96-L118 HydrophobicContact CD1-CD1 4.01Å; I96-L118 HydrophobicContact CD1-CD2 3.88Å; I96-L118 HydrophobicContact CG1-CD1 3.92Å; I96-A125 HydrophobicContact CG2-CB 4.31Å
97	E	95.5	Very high	96.8	Very high	49 Å²	49	43.6 Å²	43.6	23%	0.229	22%	0.22	C	C	.	.			trans	-64	153.8	179	-78.7	178	-171.4	0	0	112.2	V72 R73 S74 Y95 G99 A100	V72-E97 PolarHBondContact O-N 3.22Å; R73-E97 VanDerWaalsContact CA-OE2 3.28Å; R73-E97 WeakPolarHBondContact CA-OE2 3.13Å; R73-E97 WeakPolarHBondContact CB-OE2 3.42Å; R73-E97 WeakPolarHBondContact CG-OE1 3.08Å; S74-E97 PolarHBondContact N-OE2 3.09Å; S74-E97 PolarHBondContact OG-OE2 3.21Å; Y95-E97 HydrophobicContact CD1-CG 4.2Å; Y95-E97 HydrophobicContact CE1-CB 4.37Å; Y95-E97 HydrophobicContact CE1-CG 3.54Å; E97-G99 PolarHBondContact O-N 3.01Å; E97-A100 VanDerWaalsContact O-CB 3.25Å; E97-A100 WeakPolarHBondContact O-CB 3.47Å; E97-A100 PolarHBondContact O-N 3.47Å
98	A	94.1	Very high	96.8	Very high	47 Å²	47	44.6 Å²	44.6	39%	0.388	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	129.9	169.9	0	0	0	0	0	110	A100	A98-A100 PolarHBondContact O-N 3.38Å
99	G	91.8	Very high	96.8	Very high	16 Å²	16	47.2 Å²	47.2	17%	0.165	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	21.3	-177.1	0	0	0	0	0	114.9	E97 F101 F102	E97-G99 PolarHBondContact O-N 3.01Å; G99-F101 PolarHBondContact O-N 2.01Å; G99-F102 VanDerWaalsContact O-CB 3.24Å; G99-F102 WeakPolarHBondContact O-CB 3.5Å; G99-F102 PolarHBondContact O-N 3.4Å
100	A	96	Very high	96.8	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-31.6	172.9	0	0	0	0	0	114.3	V72 I96 E97 A98	V72-A100 HydrophobicContact CG1-CB 4Å; I96-A100 HydrophobicContact CG2-CB 3.43Å; I96-A100 VanDerWaalsContact CG2-CB 3.43Å; E97-A100 VanDerWaalsContact O-CB 3.25Å; E97-A100 WeakPolarHBondContact O-CB 3.47Å; E97-A100 PolarHBondContact O-N 3.47Å; A98-A100 PolarHBondContact O-N 3.38Å
101	F	97.1	Very high	96.8	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	15.5	-177.8	-50.5	-62.7	0	0	0	112.9	V72 F77 L86 L88 I96 G99 L104 L110 I112 A125 F126 L129	V72-F101 HydrophobicContact CG1-CE1 4.03Å; V72-F101 HydrophobicContact CG1-CZ 4.18Å; F77-F101 HydrophobicContact CD2-CD1 4.49Å; F77-F101 HydrophobicContact CE2-CE1 4.46Å; L86-F101 HydrophobicContact CD2-CD1 4.1Å; L86-F101 HydrophobicContact CD2-CE1 3.89Å; L88-F101 HydrophobicContact CD1-CE1 4.17Å; L88-F101 HydrophobicContact CD1-CZ 4.38Å; I96-F101 HydrophobicContact CG2-CE2 3.85Å; I96-F101 HydrophobicContact CG2-CZ 4.23Å; G99-F101 PolarHBondContact O-N 2.01Å; F101-L104 HydrophobicContact CB-CD1 4Å; F101-L104 HydrophobicContact CD1-CD1 4.12Å; F101-L104 WeakPolarHBondContact O-CB 3.5Å; F101-L104 WeakPolarHBondContact O-CG 3.33Å; F101-L104 PolarHBondContact O-N 3.35Å; F101-L110 HydrophobicContact CD1-CD2 4.43Å; F101-L110 HydrophobicContact CD2-CD2 4.05Å; F101-L110 HydrophobicContact CE1-CD1 4.1Å; F101-L110 HydrophobicContact CE1-CD2 4.38Å; F101-L110 HydrophobicContact CE2-CD2 4.01Å; F101-L110 HydrophobicContact CG-CD2 4.28Å; F101-L110 HydrophobicContact CZ-CD1 4.3Å; F101-L110 HydrophobicContact CZ-CD2 4.18Å; F101-I112 HydrophobicContact CE2-CD1 3.97Å; F101-I112 HydrophobicContact CZ-CD1 3.87Å; F101-I112 HydrophobicContact CZ-CG1 4.5Å; F101-A125 WeakPolarHBondContact CD2-O 3.27Å; F101-F126 AromaticContact CD2-CD1 3.96Å; F101-F126 HydrophobicContact CD2-CD1 3.96Å; F101-F126 HydrophobicContact CD2-CE1 4.14Å; F101-F126 HydrophobicContact CE2-CD1 4.22Å; F101-F126 AromaticContact CE2-CE1 3.91Å; F101-F126 HydrophobicContact CE2-CE1 3.91Å; F101-L129 HydrophobicContact CB-CD1 4.11Å; F101-L129 HydrophobicContact CB-CD2 4.09Å; F101-L129 HydrophobicContact CB-CG 4.45Å
102	F	94.6	Very high	96.8	Very high	139 Å²	139	42.5 Å²	42.5	61%	0.61	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	138.7	-179.9	-174	-97.8	0	0	0	111.2	G99 L104	G99-F102 VanDerWaalsContact O-CB 3.24Å; G99-F102 WeakPolarHBondContact O-CB 3.5Å; G99-F102 PolarHBondContact O-N 3.4Å; F102-L104 VanDerWaalsContact C-N 3.3Å; F102-L104 PolarHBondContact O-N 3.31Å
103	G	93.8	Very high	96.9	Very high	16 Å²	16	39.3 Å²	39.3	17%	0.165	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	0.4	-178.6	0	0	0	0	0	115.2	H81 E105	H81-G103 PolarHBondContact ND1-O 2.87Å; G103-E105 PolarHBondContact O-N 2.86Å; G103-E105 VanDerWaalsContact O-N 3.17Å
104	L	97	Very high	96.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.213	C	C	.	.			trans	-86.9	53.2	174.5	-54.6	-177.4	0	0	0	111.7	F77 C80 L83 F101 F102 K106 L107 L129	F77-L104 HydrophobicContact CB-CD1 4.13Å; F77-L104 HydrophobicContact CB-CD2 4.16Å; C80-L104 HydrophobicContact CB-CD2 4.38Å; C80-L104 VanDerWaalsContact O-CD2 3.3Å; C80-L104 WeakPolarHBondContact O-CD2 3.32Å; L83-L104 HydrophobicContact CB-CD2 4.25Å; L83-L104 HydrophobicContact CD2-CD1 4.14Å; L83-L104 HydrophobicContact CD2-CD2 4.28Å; F101-L104 HydrophobicContact CB-CD1 4Å; F101-L104 HydrophobicContact CD1-CD1 4.12Å; F101-L104 WeakPolarHBondContact O-CB 3.5Å; F101-L104 WeakPolarHBondContact O-CG 3.33Å; F101-L104 PolarHBondContact O-N 3.35Å; F102-L104 VanDerWaalsContact C-N 3.3Å; F102-L104 PolarHBondContact O-N 3.31Å; L104-K106 PolarHBondContact O-N 3.41Å; L104-K106 VanDerWaalsContact O-N 3.12Å; L104-L107 HydrophobicContact CB-CB 4.12Å; L104-L107 HydrophobicContact CB-CD2 4.46Å; L104-L107 HydrophobicContact CD1-CD2 4.24Å; L104-L107 VanDerWaalsContact O-CB 3.26Å; L104-L107 WeakPolarHBondContact O-CB 3.37Å; L104-L107 PolarHBondContact O-N 2.84Å; L104-L129 HydrophobicContact CB-CD2 3.95Å
105	E	95.6	Very high	96.9	Very high	128 Å²	128	39.1 Å²	39.1	60%	0.598	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.6	-171.9	-62	179.3	-171	0	0	114.3	G103 K131	G103-E105 PolarHBondContact O-N 2.86Å; G103-E105 VanDerWaalsContact O-N 3.17Å; E105-K131 WeakPolarHBondContact O-CB 3.13Å; E105-K131 WeakPolarHBondContact O-CG 3.24Å
106	K	97.9	Very high	96.9	Very high	97 Å²	97	37.1 Å²	37.1	42%	0.422	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	2.4	176.6	-62.9	-174.4	-173	171.6	0	113.5	N82 L83 L104 E108	N82-K106 PolarHBondContact OD1-NZ 3.1Å; L83-K106 CarbonylContact O-C 3.56Å; L104-K106 PolarHBondContact O-N 3.41Å; L104-K106 VanDerWaalsContact O-N 3.12Å; K106-E108 PolarHBondContact O-N 2.95Å
107	L	98.6	Very high	96.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.			trans	-67.3	124.2	-177.6	-164	69	0	0	0	109.9	L83 L86 L104 L110 L129 K131 L132	L83-L107 HydrophobicContact CB-CD1 4.38Å; L83-L107 HydrophobicContact CD2-CD1 4.07Å; L83-L107 HydrophobicContact CG-CD1 3.83Å; L83-L107 VanDerWaalsContact O-CA 3.26Å; L83-L107 WeakPolarHBondContact O-CA 3.48Å; L83-L107 PolarHBondContact O-N 3.39Å; L83-L107 VanDerWaalsContact O-N 3.13Å; L86-L107 HydrophobicContact CB-CD1 3.97Å; L104-L107 HydrophobicContact CB-CB 4.12Å; L104-L107 HydrophobicContact CB-CD2 4.46Å; L104-L107 HydrophobicContact CD1-CD2 4.24Å; L104-L107 VanDerWaalsContact O-CB 3.26Å; L104-L107 WeakPolarHBondContact O-CB 3.37Å; L104-L107 PolarHBondContact O-N 2.84Å; L107-L110 HydrophobicContact CD2-CB 3.98Å; L107-L110 HydrophobicContact CD2-CD1 4.43Å; L107-L110 HydrophobicContact CD2-CD2 4.29Å; L107-L110 HydrophobicContact CD2-CG 4.48Å; L107-L129 HydrophobicContact CB-CD2 4.25Å; L107-L129 HydrophobicContact CD2-CD1 4.33Å; L107-L129 HydrophobicContact CD2-CD2 4.03Å; L107-K131 CarbonylContact O-C 3.52Å; L107-L132 HydrophobicContact CB-CD1 4.28Å; L107-L132 HydrophobicContact CD2-CD1 4Å; L107-L132 HydrophobicContact CG-CD1 3.86Å; L107-L132 WeakPolarHBondContact O-CA 3.45Å; L107-L132 PolarHBondContact O-N 2.89Å; L107-L132 VanDerWaalsContact O-N 3.09Å
108	E	98.7	Very high	97	Very high	78 Å²	78	37.9 Å²	37.9	36%	0.364	20%	0.203	S	C	.	.			trans	-105.2	-32.6	-178.7	-67.4	171.8	179.3	0	0	110.9	T84 K106 H133 T134	T84-E108 WeakPolarHBondContact O-CA 3.21Å; T84-E108 PolarHBondContact O-N 3Å; K106-E108 PolarHBondContact O-N 2.95Å; E108-H133 WeakPolarHBondContact O-CA 3.46Å; E108-H133 PolarHBondContact O-N 3.13Å; E108-T134 PolarHBondContact O-N 3.3Å; E108-T134 VanDerWaalsContact O-N 3.08Å
109	E	98.9	Very high	97.1	Very high	55 Å²	55	43.1 Å²	43.1	26%	0.257	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	127.2	-178.8	-175	178	146.4	0	0	111.2	T84 V85 L86 W87 T134	T84-E109 PolarHBondContact O-N 3.06Å; V85-E109 HydrophobicContact CG1-CB 4.38Å; V85-E109 HydrophobicContact CG2-CB 4.39Å; L86-E109 PolarHBondContact N-O 3.41Å; W87-E109 PolarHBondContact NE1-OE1 3.45Å; E109-T134 HydrophobicContact CG-CG2 4.36Å
110	L	98.9	Very high	97.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	117.1	175.4	178	55.8	0	0	0	109.4	L86 F101 L107 I112 F126 L129 L132 T134 L135 H136	L86-L110 HydrophobicContact CB-CD1 4.04Å; L86-L110 HydrophobicContact CD2-CD1 3.86Å; L86-L110 HydrophobicContact CG-CD1 3.96Å; F101-L110 HydrophobicContact CD1-CD2 4.43Å; F101-L110 HydrophobicContact CD2-CD2 4.05Å; F101-L110 HydrophobicContact CE1-CD1 4.1Å; F101-L110 HydrophobicContact CE1-CD2 4.38Å; F101-L110 HydrophobicContact CE2-CD2 4.01Å; F101-L110 HydrophobicContact CG-CD2 4.28Å; F101-L110 HydrophobicContact CZ-CD1 4.3Å; F101-L110 HydrophobicContact CZ-CD2 4.18Å; L107-L110 HydrophobicContact CD2-CB 3.98Å; L107-L110 HydrophobicContact CD2-CD1 4.43Å; L107-L110 HydrophobicContact CD2-CD2 4.29Å; L107-L110 HydrophobicContact CD2-CG 4.48Å; L110-I112 HydrophobicContact CD1-CD1 4.16Å; L110-I112 HydrophobicContact CD1-CG1 3.97Å; L110-I112 HydrophobicContact CD2-CD1 3.88Å; L110-I112 HydrophobicContact CG-CD1 3.9Å; L110-I112 HydrophobicContact CG-CG1 4.05Å; L110-F126 HydrophobicContact CD2-CD1 4.05Å; L110-F126 HydrophobicContact CD2-CE1 3.94Å; L110-L129 HydrophobicContact CD2-CD1 4.03Å; L110-L132 HydrophobicContact CB-CD1 3.85Å; L110-L132 HydrophobicContact CB-CD2 4.4Å; L110-T134 PolarHBondContact N-O 3.15Å; L110-L135 HydrophobicContact CB-CD1 4.11Å; L110-L135 HydrophobicContact CD2-CD1 4.02Å; L110-L135 HydrophobicContact CG-CD1 4.05Å; L110-L135 WeakPolarHBondContact O-CA 3.32Å; L110-H136 PolarHBondContact O-N 2.78Å
111	D	98.9	Very high	97.3	Very high	14 Å²	14	46.5 Å²	46.5	8%	0.075	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	112.1	176.3	-167.3	-12.9	0	0	0	111.8	L86 W87 L88 Y89 G113 H136	L86-D111 PolarHBondContact O-N 3.29Å; W87-D111 HydrophobicContact CG-CB 4.46Å; L88-D111 CarbonylContact C-O 3.48Å; L88-D111 WeakPolarHBondContact CA-O 3.4Å; L88-D111 WeakPolarHBondContact CB-O 3.36Å; L88-D111 PolarHBondContact N-O 2.8Å; Y89-D111 WeakPolarHBondContact CB-OD1 3.3Å; Y89-D111 HydrophobicContact CD1-CB 4.22Å; Y89-D111 WeakPolarHBondContact CD1-OD2 3.5Å; Y89-D111 PolarHBondContact N-O 3.19Å; D111-G113 PolarHBondContact OD1-N 3.05Å; D111-H136 HydrophobicContact CB-CB 4.12Å; D111-H136 WeakPolarHBondContact OD1-CB 3.09Å; D111-H136 IonicContact OD1-CG 3.05Å; D111-H136 IonicContact OD2-CG 3.84Å; D111-H136 IonicContact OD2-ND1 3.89Å
112	I	98.5	Very high	97.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.			trans	-115.5	8.9	175.6	-54	157.5	0	0	0	110.2	L88 I96 F101 L110 N115 L118 F126 H136 L137 C140	L88-I112 HydrophobicContact CD1-CG1 4.47Å; I96-I112 HydrophobicContact CD1-CD1 4.09Å; I96-I112 HydrophobicContact CD1-CG2 4.07Å; F101-I112 HydrophobicContact CE2-CD1 3.97Å; F101-I112 HydrophobicContact CZ-CD1 3.87Å; F101-I112 HydrophobicContact CZ-CG1 4.5Å; L110-I112 HydrophobicContact CD1-CD1 4.16Å; L110-I112 HydrophobicContact CD1-CG1 3.97Å; L110-I112 HydrophobicContact CD2-CD1 3.88Å; L110-I112 HydrophobicContact CG-CD1 3.9Å; L110-I112 HydrophobicContact CG-CG1 4.05Å; I112-N115 PolarHBondContact O-ND2 3.03Å; I112-L118 HydrophobicContact CG2-CD2 4.2Å; I112-F126 HydrophobicContact CD1-CE1 3.9Å; I112-F126 HydrophobicContact CD1-CZ 4.32Å; I112-H136 PolarHBondContact N-O 2.82Å; I112-L137 HydrophobicContact CB-CD2 4.18Å; I112-L137 HydrophobicContact CD1-CD2 4.07Å; I112-C140 PolarHBondContact O-SG 2.99Å; I112-C140 VanDerWaalsContact O-SG 3.33Å
113	G	98.5	Very high	97.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.			trans	-57.9	161.5	-173.7	0	0	0	0	0	113.7	Y89 S90 D111 N115 H136 H138	Y89-G113 CarbonylContact C-O 3.55Å; Y89-G113 WeakPolarHBondContact CA-O 3.2Å; Y89-G113 VanDerWaalsContact CB-O 3.28Å; Y89-G113 WeakPolarHBondContact CB-O 3.45Å; S90-G113 PolarHBondContact N-O 3.02Å; D111-G113 PolarHBondContact OD1-N 3.05Å; G113-N115 VanDerWaalsContact C-N 3.27Å; G113-N115 PolarHBondContact O-N 2.82Å; G113-N115 PolarHBondContact O-ND2 2.99Å; G113-H136 PolarHBondContact N-O 2.98Å; G113-H138 CarbonylContact C-O 3.32Å; G113-H138 VanDerWaalsContact CA-O 3.26Å; G113-H138 WeakPolarHBondContact CA-O 3.3Å
114	D	98.5	Very high	97.2	Very high	60 Å²	60	47 Å²	47	32%	0.321	24%	0.24	S	C	.	.	S	Bend	trans	59.5	36.8	175	-163.1	43	0	0	0	113.5	S90 H138	S90-D114 WeakPolarHBondContact CB-OD2 3.39Å; S90-D114 PolarHBondContact OG-OD2 3.05Å; D114-H138 PolarHBondContact N-O 2.96Å
115	N	98.4	Very high	97	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.24	C	C	.	.			trans	-112.6	71	170.1	-77.9	-78.4	0	0	0	109.5	L88 N91 N92 I93 I112 G113 N117 L118 R139 C140	L88-N115 PolarHBondContact O-ND2 3.3Å; L88-N115 VanDerWaalsContact O-ND2 3.15Å; N91-N115 VanDerWaalsContact CA-OD1 3.27Å; N91-N115 WeakPolarHBondContact CA-OD1 3.02Å; N91-N115 WeakPolarHBondContact CB-OD1 3.47Å; N91-N115 PolarHBondContact N-OD1 3.04Å; N91-N115 PolarHBondContact O-OD1 3.24Å; N92-N115 PolarHBondContact N-OD1 3Å; I93-N115 HydrophobicContact CB-CB 4.14Å; I93-N115 WeakPolarHBondContact CB-OD1 3.35Å; I93-N115 WeakPolarHBondContact CG1-OD1 3.46Å; I93-N115 PolarHBondContact N-OD1 3.29Å; I112-N115 PolarHBondContact O-ND2 3.03Å; G113-N115 VanDerWaalsContact C-N 3.27Å; G113-N115 PolarHBondContact O-N 2.82Å; G113-N115 PolarHBondContact O-ND2 2.99Å; N115-N117 PolarHBondContact O-N 2.89Å; N115-L118 WeakPolarHBondContact O-CB 3.06Å; N115-L118 PolarHBondContact O-N 3.42Å; N115-R139 CarbonylContact C-O 3.3Å; N115-R139 PolarHBondContact N-O 3.04Å; N115-C140 CarbonylContact O-C 3.05Å; N115-C140 WeakPolarHBondContact O-CA 3.25Å
116	S	97.1	Very high	97	Very high	73 Å²	73	40.9 Å²	40.9	51%	0.51	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-18	-167.2	60.2	0	0	0	0	115.8	R139	S116-R139 WeakPolarHBondContact CA-O 3.32Å; S116-R139 PolarHBondContact N-O 3Å
117	N	96.9	Very high	96.9	Very high	67 Å²	67	44.5 Å²	44.5	36%	0.358	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	1.7	178.4	-67.5	-55.7	0	0	0	114.3	N92 T94 N115	N92-N117 PolarHBondContact OD1-ND2 3.15Å; T94-N117 HydrophobicContact CG2-CB 3.85Å; N115-N117 PolarHBondContact O-N 2.89Å
118	L	97.3	Very high	96.6	Very high	3 Å²	3	46 Å²	46	2%	0.016	24%	0.239	C	C	.	.			trans	-64.5	-48.5	-179.1	178.7	58.4	0	0	0	112.1	I93 I96 I112 N115 T120 I121 C140 L142	I93-L118 HydrophobicContact CG2-CD1 4.3Å; I93-L118 WeakPolarHBondContact O-CA 3.11Å; I93-L118 PolarHBondContact O-N 2.98Å; I96-L118 HydrophobicContact CD1-CD1 4.01Å; I96-L118 HydrophobicContact CD1-CD2 3.88Å; I96-L118 HydrophobicContact CG1-CD1 3.92Å; I112-L118 HydrophobicContact CG2-CD2 4.2Å; N115-L118 WeakPolarHBondContact O-CB 3.06Å; N115-L118 PolarHBondContact O-N 3.42Å; L118-T120 WeakPolarHBondContact CD1-O 3.41Å; L118-T120 WeakPolarHBondContact CG-O 3.33Å; L118-T120 PolarHBondContact O-N 3.41Å; L118-I121 HydrophobicContact CD2-CG1 4.19Å; L118-C140 HydrophobicContact CB-CB 4.34Å; L118-C140 HydrophobicContact CD2-CB 4.2Å; L118-L142 HydrophobicContact CD2-CD2 4.46Å; L118-L142 HydrophobicContact CG-CD2 4.41Å
119	R	96.1	Very high	96.5	Very high	156 Å²	156	42.4 Å²	42.4	59%	0.589	22%	0.222	S	C	*	.			trans	61	-39.6	174.3	-57.9	-178.6	-179.5	-150.3	0.6	117.4	C140 L142 S143	R119-C140 PolarHBondContact N-O 3.03Å; R119-L142 WeakPolarHBondContact O-CA 3.5Å; R119-S143 PolarHBondContact O-N 3.36Å
120	T	95.5	Very high	96.4	Very high	78 Å²	78	42.8 Å²	42.8	48%	0.479	23%	0.228	S	C	.	.			trans	-137.8	157.5	179.8	63.1	0	0	0	0	110.5	L118	L118-T120 WeakPolarHBondContact CD1-O 3.41Å; L118-T120 WeakPolarHBondContact CG-O 3.33Å; L118-T120 PolarHBondContact O-N 3.41Å
121	I	96.3	Very high	96.4	Very high	10 Å²	10	48 Å²	48	5%	0.051	25%	0.251	C	S	.	.			trans	-126.1	142.3	176.2	-64.3	170.8	0	0	0	107.3	L118 A125 F126 L137 L142 P146 V149	L118-I121 HydrophobicContact CD2-CG1 4.19Å; I121-A125 HydrophobicContact CG2-CB 3.77Å; I121-F126 HydrophobicContact CD1-CE2 4.19Å; I121-F126 HydrophobicContact CD1-CZ 4.17Å; I121-F126 HydrophobicContact CG2-CE2 3.79Å; I121-F126 HydrophobicContact CG2-CZ 4.01Å; I121-L137 HydrophobicContact CD1-CD1 3.81Å; I121-L137 HydrophobicContact CD1-CD2 3.87Å; I121-L137 HydrophobicContact CD1-CG 4.43Å; I121-L142 HydrophobicContact CD1-CD1 3.77Å; I121-L142 HydrophobicContact CD1-CD2 3.92Å; I121-L142 HydrophobicContact CG1-CD2 3.83Å; I121-P146 WeakPolarHBondContact O-CG 3.36Å; I121-V149 HydrophobicContact CG2-CG2 3.93Å
122	N	95.1	Very high	96.3	Very high	47 Å²	47	47.3 Å²	47.3	25%	0.251	25%	0.247	S	C	.	.			trans	-69.9	136.7	172.7	-170.2	-76.8	0	0	0	110.2	T124 A125	N122-T124 PolarHBondContact O-N 3.44Å; N122-T124 PolarHBondContact OD1-N 2.95Å; N122-T124 PolarHBondContact OD1-OG1 3.1Å; N122-A125 HydrophobicContact CB-CB 4.34Å; N122-A125 VanDerWaalsContact O-CB 3.25Å; N122-A125 WeakPolarHBondContact O-CB 3.39Å; N122-A125 PolarHBondContact O-N 3.08Å
123	P	93.8	Very high	96.4	Very high	65 Å²	65	50.1 Å²	50.1	42%	0.422	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.5	-179.7	-21.1	26.4	0	0	0	114.6	P146	P123-P146 HydrophobicContact CB-CB 4.01Å; P123-P146 HydrophobicContact CG-CB 3.72Å; P123-P146 HydrophobicContact CG-CG 4.33Å
124	T	94.3	Very high	96.4	Very high	54 Å²	54	51.2 Å²	51.2	33%	0.331	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	6.2	-178.6	65.1	0	0	0	0	113.7	N122 F126 R127	N122-T124 PolarHBondContact O-N 3.44Å; N122-T124 PolarHBondContact OD1-N 2.95Å; N122-T124 PolarHBondContact OD1-OG1 3.1Å; T124-F126 VanDerWaalsContact C-N 3.31Å; T124-F126 PolarHBondContact O-N 2.9Å; T124-R127 WeakPolarHBondContact O-CB 3.36Å; T124-R127 PolarHBondContact O-N 2.89Å
125	A	94.1	Very high	96.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-43.4	-176.5	0	0	0	0	0	112.3	I96 F101 I121 N122	I96-A125 HydrophobicContact CG2-CB 4.31Å; F101-A125 WeakPolarHBondContact CD2-O 3.27Å; I121-A125 HydrophobicContact CG2-CB 3.77Å; N122-A125 HydrophobicContact CB-CB 4.34Å; N122-A125 VanDerWaalsContact O-CB 3.25Å; N122-A125 WeakPolarHBondContact O-CB 3.39Å; N122-A125 PolarHBondContact O-N 3.08Å
126	F	95.6	Very high	96.4	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	11.1	-176.9	-50.6	-53.5	0	0	0	114.1	F101 L110 I112 I121 T124 G128 L129 L135 L137 V149 F150 M153	F101-F126 AromaticContact CD2-CD1 3.96Å; F101-F126 HydrophobicContact CD2-CD1 3.96Å; F101-F126 HydrophobicContact CD2-CE1 4.14Å; F101-F126 HydrophobicContact CE2-CD1 4.22Å; F101-F126 AromaticContact CE2-CE1 3.91Å; F101-F126 HydrophobicContact CE2-CE1 3.91Å; L110-F126 HydrophobicContact CD2-CD1 4.05Å; L110-F126 HydrophobicContact CD2-CE1 3.94Å; I112-F126 HydrophobicContact CD1-CE1 3.9Å; I112-F126 HydrophobicContact CD1-CZ 4.32Å; I121-F126 HydrophobicContact CD1-CE2 4.19Å; I121-F126 HydrophobicContact CD1-CZ 4.17Å; I121-F126 HydrophobicContact CG2-CE2 3.79Å; I121-F126 HydrophobicContact CG2-CZ 4.01Å; T124-F126 VanDerWaalsContact C-N 3.31Å; T124-F126 PolarHBondContact O-N 2.9Å; F126-G128 PolarHBondContact O-N 2.81Å; F126-L129 HydrophobicContact CB-CD1 3.99Å; F126-L129 HydrophobicContact CD1-CD1 4Å; F126-L129 HydrophobicContact CG-CD1 4.46Å; F126-L129 WeakPolarHBondContact O-CB 3.34Å; F126-L129 WeakPolarHBondContact O-CG 3.17Å; F126-L129 PolarHBondContact O-N 2.98Å; F126-L135 HydrophobicContact CD2-CD2 4.37Å; F126-L135 HydrophobicContact CE1-CD1 4.23Å; F126-L135 HydrophobicContact CE2-CD2 4.26Å; F126-L135 HydrophobicContact CZ-CD1 4.42Å; F126-L135 HydrophobicContact CZ-CD2 4.44Å; F126-L137 HydrophobicContact CE2-CD1 4.01Å; F126-L137 HydrophobicContact CZ-CD1 4.02Å; F126-L137 HydrophobicContact CZ-CD2 4.01Å; F126-V149 HydrophobicContact CD2-CG2 3.74Å; F126-V149 HydrophobicContact CE2-CG2 3.84Å; F126-F150 HydrophobicContact CD2-CD1 4.41Å; F126-F150 HydrophobicContact CD2-CE1 4.42Å; F126-F150 HydrophobicContact CE2-CE1 4.36Å; F126-M153 HydrophobicContact CB-SD 3.83Å
127	R	94.2	Very high	96.5	Very high	172 Å²	172	46.3 Å²	46.3	65%	0.649	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	127.5	-177.6	-173.8	-179.6	178.7	-171.9	-0.7	110.3	T124	T124-R127 WeakPolarHBondContact O-CB 3.36Å; T124-R127 PolarHBondContact O-N 2.89Å
128	G	93.7	Very high	96.6	Very high	33 Å²	33	44.8 Å²	44.8	34%	0.34	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	-2.4	177.1	0	0	0	0	0	114.9	F126 T130	F126-G128 PolarHBondContact O-N 2.81Å; G128-T130 PolarHBondContact O-N 3.37Å
129	L	96.8	Very high	96.6	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	25%	0.247	C	C	.	.			trans	-78	58.7	176.3	-58.1	-175.3	0	0	0	111.9	F101 L104 L107 L110 F126 K131 L132	F101-L129 HydrophobicContact CB-CD1 4.11Å; F101-L129 HydrophobicContact CB-CD2 4.09Å; F101-L129 HydrophobicContact CB-CG 4.45Å; L104-L129 HydrophobicContact CB-CD2 3.95Å; L107-L129 HydrophobicContact CB-CD2 4.25Å; L107-L129 HydrophobicContact CD2-CD1 4.33Å; L107-L129 HydrophobicContact CD2-CD2 4.03Å; L110-L129 HydrophobicContact CD2-CD1 4.03Å; F126-L129 HydrophobicContact CB-CD1 3.99Å; F126-L129 HydrophobicContact CD1-CD1 4Å; F126-L129 HydrophobicContact CG-CD1 4.46Å; F126-L129 WeakPolarHBondContact O-CB 3.34Å; F126-L129 WeakPolarHBondContact O-CG 3.17Å; F126-L129 PolarHBondContact O-N 2.98Å; L129-K131 VanDerWaalsContact C-N 3.32Å; L129-K131 PolarHBondContact O-N 3.03Å; L129-L132 HydrophobicContact CB-CB 4.09Å; L129-L132 HydrophobicContact CB-CD2 4.36Å; L129-L132 HydrophobicContact CD1-CD2 4.1Å; L129-L132 WeakPolarHBondContact O-CB 3.19Å; L129-L132 PolarHBondContact O-N 3.11Å
130	T	96.1	Very high	96.8	Very high	63 Å²	63	43.2 Å²	43.2	39%	0.387	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-22.1	-171.3	56.3	0	0	0	0	114	G128 S155	G128-T130 PolarHBondContact O-N 3.37Å; T130-S155 WeakPolarHBondContact O-CB 3.47Å; T130-S155 PolarHBondContact O-OG 3.39Å
131	K	98	Very high	96.9	Very high	110 Å²	110	40.1 Å²	40.1	48%	0.478	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	5.1	176.7	-68	-165.9	175	-171.9	0	114.5	E105 L107 L129 H133	E105-K131 WeakPolarHBondContact O-CB 3.13Å; E105-K131 WeakPolarHBondContact O-CG 3.24Å; L107-K131 CarbonylContact O-C 3.52Å; L129-K131 VanDerWaalsContact C-N 3.32Å; L129-K131 PolarHBondContact O-N 3.03Å; K131-H133 PolarHBondContact O-CE1 3.42Å; K131-H133 VanDerWaalsContact O-CE1 3.3Å; K131-H133 PolarHBondContact O-N 3.38Å; K131-H133 PolarHBondContact O-ND1 3.16Å; K131-H133 VanDerWaalsContact O-ND1 3.15Å
132	L	98.6	Very high	97	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.			trans	-67.1	125.3	-178.8	-160.7	72.2	0	0	0	109.4	L107 L110 L129 L135 M153 S155 L156	L107-L132 HydrophobicContact CB-CD1 4.28Å; L107-L132 HydrophobicContact CD2-CD1 4Å; L107-L132 HydrophobicContact CG-CD1 3.86Å; L107-L132 WeakPolarHBondContact O-CA 3.45Å; L107-L132 PolarHBondContact O-N 2.89Å; L107-L132 VanDerWaalsContact O-N 3.09Å; L110-L132 HydrophobicContact CB-CD1 3.85Å; L110-L132 HydrophobicContact CB-CD2 4.4Å; L129-L132 HydrophobicContact CB-CB 4.09Å; L129-L132 HydrophobicContact CB-CD2 4.36Å; L129-L132 HydrophobicContact CD1-CD2 4.1Å; L129-L132 WeakPolarHBondContact O-CB 3.19Å; L129-L132 PolarHBondContact O-N 3.11Å; L132-L135 HydrophobicContact CD2-CB 3.97Å; L132-L135 HydrophobicContact CD2-CD1 4.29Å; L132-L135 HydrophobicContact CD2-CD2 4.43Å; L132-L135 HydrophobicContact CD2-CG 4.46Å; L132-M153 HydrophobicContact CD2-SD 4.26Å; L132-S155 CarbonylContact O-C 3.54Å; L132-L156 HydrophobicContact CB-CD1 4.18Å; L132-L156 HydrophobicContact CD2-CD1 3.92Å; L132-L156 HydrophobicContact CG-CD1 3.94Å; L132-L156 WeakPolarHBondContact O-CA 3.5Å; L132-L156 PolarHBondContact O-N 3.05Å
133	H	98.8	Very high	97	Very high	59 Å²	59	39.7 Å²	39.7	27%	0.273	20%	0.204	S	C	.	.			trans	-99.8	-35.7	176.6	-62.7	102.2	0	0	0	111.3	E108 K131 Q157 Y158	E108-H133 WeakPolarHBondContact O-CA 3.46Å; E108-H133 PolarHBondContact O-N 3.13Å; K131-H133 PolarHBondContact O-CE1 3.42Å; K131-H133 VanDerWaalsContact O-CE1 3.3Å; K131-H133 PolarHBondContact O-N 3.38Å; K131-H133 PolarHBondContact O-ND1 3.16Å; K131-H133 VanDerWaalsContact O-ND1 3.15Å; H133-Q157 WeakPolarHBondContact O-CA 3.36Å; H133-Q157 PolarHBondContact O-N 3.45Å; H133-Y158 PolarHBondContact O-N 2.83Å
134	T	98.9	Very high	97.1	Very high	22 Å²	22	41.5 Å²	41.5	14%	0.135	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	124.4	-172.2	-56.1	0	0	0	0	110.4	E108 E109 L110 H136 Y160	E108-T134 PolarHBondContact O-N 3.3Å; E108-T134 VanDerWaalsContact O-N 3.08Å; E109-T134 HydrophobicContact CG-CG2 4.36Å; L110-T134 PolarHBondContact N-O 3.15Å; T134-H136 WeakPolarHBondContact CG2-NE2 3.38Å; T134-Y160 HydrophobicContact CG2-CE2 3.96Å
135	L	98.9	Very high	97.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	118.3	176.7	178.8	57.2	0	0	0	110.6	L110 F126 L132 L137 F150 M153 L156 Y158 L159 Y160	L110-L135 HydrophobicContact CB-CD1 4.11Å; L110-L135 HydrophobicContact CD2-CD1 4.02Å; L110-L135 HydrophobicContact CG-CD1 4.05Å; L110-L135 WeakPolarHBondContact O-CA 3.32Å; F126-L135 HydrophobicContact CD2-CD2 4.37Å; F126-L135 HydrophobicContact CE1-CD1 4.23Å; F126-L135 HydrophobicContact CE2-CD2 4.26Å; F126-L135 HydrophobicContact CZ-CD1 4.42Å; F126-L135 HydrophobicContact CZ-CD2 4.44Å; L132-L135 HydrophobicContact CD2-CB 3.97Å; L132-L135 HydrophobicContact CD2-CD1 4.29Å; L132-L135 HydrophobicContact CD2-CD2 4.43Å; L132-L135 HydrophobicContact CD2-CG 4.46Å; L135-L137 HydrophobicContact CD1-CD1 4.45Å; L135-L137 HydrophobicContact CD1-CD2 4.46Å; L135-L137 HydrophobicContact CD1-CG 4.14Å; L135-L137 HydrophobicContact CD2-CD1 3.93Å; L135-L137 HydrophobicContact CD2-CG 4.43Å; L135-L137 HydrophobicContact CG-CD1 4.09Å; L135-L137 HydrophobicContact CG-CG 4.05Å; L135-F150 HydrophobicContact CD2-CD1 4.29Å; L135-F150 HydrophobicContact CD2-CE1 3.87Å; L135-M153 HydrophobicContact CD2-CE 4.14Å; L135-L156 HydrophobicContact CB-CD1 3.88Å; L135-L156 HydrophobicContact CB-CD2 4.43Å; L135-Y158 PolarHBondContact N-O 3.34Å; L135-L159 HydrophobicContact CB-CD1 4.11Å; L135-L159 HydrophobicContact CD2-CD1 3.98Å; L135-L159 HydrophobicContact CG-CD1 4.09Å; L135-Y160 PolarHBondContact O-N 3.08Å
136	H	98.9	Very high	97.3	Very high	30 Å²	30	40.2 Å²	40.2	14%	0.139	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.7	174.8	-58.6	-118	0	0	0	111.5	L110 D111 I112 G113 T134 H138 Y160	L110-H136 PolarHBondContact O-N 2.78Å; D111-H136 HydrophobicContact CB-CB 4.12Å; D111-H136 WeakPolarHBondContact OD1-CB 3.09Å; D111-H136 IonicContact OD1-CG 3.05Å; D111-H136 IonicContact OD2-CG 3.84Å; D111-H136 IonicContact OD2-ND1 3.89Å; I112-H136 PolarHBondContact N-O 2.82Å; G113-H136 PolarHBondContact N-O 2.98Å; T134-H136 WeakPolarHBondContact CG2-NE2 3.38Å; H136-H138 AromaticContact ND1-CD2 3.82Å; H136-H138 AromaticContact ND1-NE2 3.78Å; H136-Y160 HydrophobicContact CB-CD2 4.44Å; H136-Y160 AromaticContact CD2-CD2 3.91Å; H136-Y160 AromaticContact CE1-CD2 3.49Å; H136-Y160 VanDerWaalsContact CE1-CD2 3.49Å; H136-Y160 WeakPolarHBondContact CE1-CD2 3.32Å; H136-Y160 AromaticContact CE1-CE2 3.41Å; H136-Y160 VanDerWaalsContact CE1-CE2 3.41Å; H136-Y160 WeakPolarHBondContact CE1-CE2 3.36Å; H136-Y160 AromaticContact CG-CD2 3.67Å; H136-Y160 AromaticContact ND1-CD2 3.43Å; H136-Y160 WeakPolarHBondContact ND1-CD2 3.25Å; H136-Y160 AromaticContact ND1-CE2 3.87Å; H136-Y160 AromaticContact NE2-CD2 3.77Å; H136-Y160 AromaticContact NE2-CE2 3.61Å
137	L	98.7	Very high	97.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.			trans	-131.5	22.8	175.4	-67.1	174	0	0	0	111.3	I112 I121 F126 L135 L142 F150 Y160 L161 N164	I112-L137 HydrophobicContact CB-CD2 4.18Å; I112-L137 HydrophobicContact CD1-CD2 4.07Å; I121-L137 HydrophobicContact CD1-CD1 3.81Å; I121-L137 HydrophobicContact CD1-CD2 3.87Å; I121-L137 HydrophobicContact CD1-CG 4.43Å; F126-L137 HydrophobicContact CE2-CD1 4.01Å; F126-L137 HydrophobicContact CZ-CD1 4.02Å; F126-L137 HydrophobicContact CZ-CD2 4.01Å; L135-L137 HydrophobicContact CD1-CD1 4.45Å; L135-L137 HydrophobicContact CD1-CD2 4.46Å; L135-L137 HydrophobicContact CD1-CG 4.14Å; L135-L137 HydrophobicContact CD2-CD1 3.93Å; L135-L137 HydrophobicContact CD2-CG 4.43Å; L135-L137 HydrophobicContact CG-CD1 4.09Å; L135-L137 HydrophobicContact CG-CG 4.05Å; L137-L142 HydrophobicContact CB-CD1 4.26Å; L137-F150 HydrophobicContact CD1-CE1 4.19Å; L137-F150 HydrophobicContact CD1-CZ 4.41Å; L137-Y160 CarbonylContact C-O 3.14Å; L137-Y160 VanDerWaalsContact C-O 3.25Å; L137-Y160 VanDerWaalsContact CA-O 3.32Å; L137-Y160 WeakPolarHBondContact CA-O 3.31Å; L137-Y160 PolarHBondContact N-O 3.15Å; L137-L161 HydrophobicContact CB-CD2 3.85Å; L137-L161 HydrophobicContact CD1-CD2 4.08Å; L137-N164 PolarHBondContact O-ND2 3.3Å
138	H	98.8	Very high	97.2	Very high	36 Å²	36	38.4 Å²	38.4	17%	0.167	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	147.9	179.2	63	74.3	0	0	0	111.2	G113 D114 H136 C140 Y160 Q162	G113-H138 CarbonylContact C-O 3.32Å; G113-H138 VanDerWaalsContact CA-O 3.26Å; G113-H138 WeakPolarHBondContact CA-O 3.3Å; D114-H138 PolarHBondContact N-O 2.96Å; H136-H138 AromaticContact ND1-CD2 3.82Å; H136-H138 AromaticContact ND1-NE2 3.78Å; H138-C140 PolarHBondContact O-N 2.79Å; H138-Y160 PolarHBondContact N-O 2.99Å; H138-Q162 VanDerWaalsContact CA-O 3.22Å; H138-Q162 WeakPolarHBondContact CA-O 3.48Å; H138-Q162 HydrophobicContact CB-CG 3.98Å; H138-Q162 WeakPolarHBondContact CB-O 3.1Å
139	R	98.6	Very high	97.3	Very high	125 Å²	125	37 Å²	37	47%	0.472	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	33.1	177	-58.2	179.1	-176.6	-173.6	-2.3	114.3	N115 S116 Q162 D163	N115-R139 CarbonylContact C-O 3.3Å; N115-R139 PolarHBondContact N-O 3.04Å; S116-R139 WeakPolarHBondContact CA-O 3.32Å; S116-R139 PolarHBondContact N-O 3Å; R139-Q162 PolarHBondContact N-O 2.93Å; R139-Q162 VanDerWaalsContact N-O 3.16Å; R139-D163 VanDerWaalsContact CA-O 3.3Å; R139-D163 WeakPolarHBondContact CA-O 3.45Å; R139-D163 HydrophobicContact CB-CB 4.47Å; R139-D163 HydrophobicContact CG-CB 3.42Å; R139-D163 VanDerWaalsContact CG-CB 3.42Å; R139-D163 IonicContact CZ-OD2 3.81Å; R139-D163 PolarHBondContact N-O 3.4Å; R139-D163 IonicContact NE-OD2 2.78Å; R139-D163 PolarHBondContact NE-OD2 3.17Å; R139-D163 IonicContact NH2-OD2 3.99Å; R139-D163 PolarHBondContact NH2-OD2 3.23Å
140	C	98.6	Very high	97.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-95.5	-0.2	178.1	-71.2	0	0	0	0	113.5	I112 N115 L118 R119 H138 L142 N164	I112-C140 PolarHBondContact O-SG 2.99Å; I112-C140 VanDerWaalsContact O-SG 3.33Å; N115-C140 CarbonylContact O-C 3.05Å; N115-C140 WeakPolarHBondContact O-CA 3.25Å; L118-C140 HydrophobicContact CB-CB 4.34Å; L118-C140 HydrophobicContact CD2-CB 4.2Å; R119-C140 PolarHBondContact N-O 3.03Å; H138-C140 PolarHBondContact O-N 2.79Å; C140-L142 HydrophobicContact CB-CD1 4.16Å; C140-L142 HydrophobicContact CB-CD2 4.18Å; C140-L142 HydrophobicContact CB-CG 3.77Å; C140-L142 PolarHBondContact O-N 3.34Å; C140-N164 WeakPolarHBondContact CA-OD1 3.33Å; C140-N164 PolarHBondContact N-OD1 3.04Å
141	G	98.2	Very high	97.3	Very high	14 Å²	14	43.6 Å²	43.6	14%	0.144	22%	0.216	C	C	.	.			trans	69.5	17.2	-178.4	0	0	0	0	0	114.2	S143 N164 N165	G141-S143 PolarHBondContact O-N 2.85Å; G141-N164 PolarHBondContact N-OD1 3.06Å; G141-N165 PolarHBondContact O-ND2 3.02Å
142	L	98.1	Very high	97.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.			trans	-63.2	126.4	-173.4	-58.5	173.8	0	0	0	111.5	L118 R119 I121 L137 C140 L145 L161 N164 N165 I166	L118-L142 HydrophobicContact CD2-CD2 4.46Å; L118-L142 HydrophobicContact CG-CD2 4.41Å; R119-L142 WeakPolarHBondContact O-CA 3.5Å; I121-L142 HydrophobicContact CD1-CD1 3.77Å; I121-L142 HydrophobicContact CD1-CD2 3.92Å; I121-L142 HydrophobicContact CG1-CD2 3.83Å; L137-L142 HydrophobicContact CB-CD1 4.26Å; C140-L142 HydrophobicContact CB-CD1 4.16Å; C140-L142 HydrophobicContact CB-CD2 4.18Å; C140-L142 HydrophobicContact CB-CG 3.77Å; C140-L142 PolarHBondContact O-N 3.34Å; L142-L145 HydrophobicContact CD1-CD2 4.07Å; L142-L161 HydrophobicContact CD1-CD2 4.34Å; L142-N164 HydrophobicContact CB-CB 4.2Å; L142-N164 PolarHBondContact N-OD1 2.58Å; L142-N165 CarbonylContact O-C 3.53Å; L142-N165 WeakPolarHBondContact O-CA 3.45Å; L142-N165 WeakPolarHBondContact O-CB 3.34Å; L142-N165 PolarHBondContact O-N 3.01Å; L142-I166 HydrophobicContact CB-CG1 4.39Å; L142-I166 PolarHBondContact O-N 3.12Å; L142-I166 VanDerWaalsContact O-N 3.08Å
143	S	96.1	Very high	97.1	Very high	47 Å²	47	39.3 Å²	39.3	33%	0.329	20%	0.203	S	C	.	.	S	Bend	trans	-92.9	-24	176.8	51.7	0	0	0	0	114	R119 G141 I166 R167	R119-S143 PolarHBondContact O-N 3.36Å; G141-S143 PolarHBondContact O-N 2.85Å; S143-I166 WeakPolarHBondContact O-CA 3.15Å; S143-R167 PolarHBondContact O-N 3.48Å
144	E	94.9	Very high	97	Very high	103 Å²	103	41.7 Å²	41.7	48%	0.481	21%	0.213	S	C	.	.			trans	-152.9	160.7	-178.7	63	-176	-167	0	0	109.8
145	L	96.6	Very high	97	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	22%	0.217	C	C	.	.			trans	-113	125.3	170.8	-63.6	-179.9	0	0	0	108.2	L142 V149 F150 L161 I166 L169 T173	L142-L145 HydrophobicContact CD1-CD2 4.07Å; L145-V149 HydrophobicContact CB-CG1 4.3Å; L145-F150 HydrophobicContact CD1-CE2 3.78Å; L145-F150 HydrophobicContact CD1-CZ 4.05Å; L145-L161 HydrophobicContact CD1-CD1 3.79Å; L145-L161 HydrophobicContact CD1-CD2 4.16Å; L145-L161 HydrophobicContact CD2-CD2 4.07Å; L145-I166 HydrophobicContact CD1-CD1 4.28Å; L145-I166 HydrophobicContact CD2-CD1 4.47Å; L145-I166 HydrophobicContact CG-CD1 4.24Å; L145-L169 HydrophobicContact CD1-CD2 3.59Å; L145-L169 HydrophobicContact CG-CD2 4.22Å; L145-T173 HydrophobicContact CD1-CG2 4.43Å
146	P	95.4	Very high	97	Very high	24 Å²	24	42.2 Å²	42.2	16%	0.156	22%	0.217	C	C	.	.			trans	-61.8	145.7	178.1	-12.9	21.1	0	0	0	111.7	I121 P123 G148 V149	I121-P146 WeakPolarHBondContact O-CG 3.36Å; P123-P146 HydrophobicContact CB-CB 4.01Å; P123-P146 HydrophobicContact CG-CB 3.72Å; P123-P146 HydrophobicContact CG-CG 4.33Å; P146-G148 PolarHBondContact O-N 2.9Å; P146-V149 HydrophobicContact CB-CB 4.41Å; P146-V149 HydrophobicContact CG-CB 4.42Å; P146-V149 VanDerWaalsContact O-CB 3.3Å; P146-V149 WeakPolarHBondContact O-CB 3.45Å; P146-V149 VanDerWaalsContact O-CG1 3.27Å; P146-V149 WeakPolarHBondContact O-CG1 3.21Å; P146-V149 PolarHBondContact O-N 3.28Å; P146-V149 VanDerWaalsContact O-N 3.12Å
147	V	94.1	Very high	97	Very high	104 Å²	104	44 Å²	44	63%	0.63	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	128.4	176.6	180	0	0	0	0	109.9	V149 H170	V147-V149 VanDerWaalsContact C-N 3.29Å; V147-V149 PolarHBondContact O-N 2.97Å; V147-H170 HydrophobicContact CG2-CB 4.33Å
148	G	94.4	Very high	97	Very high	33 Å²	33	47.3 Å²	47.3	34%	0.34	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	11.6	178.3	0	0	0	0	0	115.3	P146 F150 R151	P146-G148 PolarHBondContact O-N 2.9Å; G148-F150 PolarHBondContact O-N 2.97Å; G148-F150 VanDerWaalsContact O-N 3.08Å; G148-R151 WeakPolarHBondContact O-CB 3.12Å; G148-R151 PolarHBondContact O-N 2.97Å
149	V	96.6	Very high	97	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.024	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-26	177.6	67.7	0	0	0	0	113.2	I121 F126 L145 P146 V147	I121-V149 HydrophobicContact CG2-CG2 3.93Å; F126-V149 HydrophobicContact CD2-CG2 3.74Å; F126-V149 HydrophobicContact CE2-CG2 3.84Å; L145-V149 HydrophobicContact CB-CG1 4.3Å; P146-V149 HydrophobicContact CB-CB 4.41Å; P146-V149 HydrophobicContact CG-CB 4.42Å; P146-V149 VanDerWaalsContact O-CB 3.3Å; P146-V149 WeakPolarHBondContact O-CB 3.45Å; P146-V149 VanDerWaalsContact O-CG1 3.27Å; P146-V149 WeakPolarHBondContact O-CG1 3.21Å; P146-V149 PolarHBondContact O-N 3.28Å; P146-V149 VanDerWaalsContact O-N 3.12Å; V147-V149 VanDerWaalsContact C-N 3.29Å; V147-V149 PolarHBondContact O-N 2.97Å
150	F	97.3	Very high	97	Very high	3 Å²	3	41.8 Å²	41.8	1%	0.013	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	9.6	-179.9	-59.1	-42.8	0	0	0	114.5	F126 L135 L137 L145 G148 G152 M153 L159 L161 T173 F174 L177	F126-F150 HydrophobicContact CD2-CD1 4.41Å; F126-F150 HydrophobicContact CD2-CE1 4.42Å; F126-F150 HydrophobicContact CE2-CE1 4.36Å; L135-F150 HydrophobicContact CD2-CD1 4.29Å; L135-F150 HydrophobicContact CD2-CE1 3.87Å; L137-F150 HydrophobicContact CD1-CE1 4.19Å; L137-F150 HydrophobicContact CD1-CZ 4.41Å; L145-F150 HydrophobicContact CD1-CE2 3.78Å; L145-F150 HydrophobicContact CD1-CZ 4.05Å; G148-F150 PolarHBondContact O-N 2.97Å; G148-F150 VanDerWaalsContact O-N 3.08Å; F150-G152 PolarHBondContact O-N 3.08Å; F150-M153 HydrophobicContact CB-CE 3.66Å; F150-M153 HydrophobicContact CD1-CE 3.35Å; F150-M153 HydrophobicContact CE1-CE 4.32Å; F150-M153 HydrophobicContact CG-CE 3.84Å; F150-M153 PolarHBondContact O-N 3.44Å; F150-L159 HydrophobicContact CD2-CD2 4.36Å; F150-L159 HydrophobicContact CE1-CD1 4.25Å; F150-L159 HydrophobicContact CE2-CD2 3.92Å; F150-L159 HydrophobicContact CZ-CD1 4.16Å; F150-L159 HydrophobicContact CZ-CD2 3.99Å; F150-L161 HydrophobicContact CE2-CD1 4.35Å; F150-L161 HydrophobicContact CZ-CD1 4.22Å; F150-L161 HydrophobicContact CZ-CD2 4.48Å; F150-T173 HydrophobicContact CD2-CG2 3.99Å; F150-T173 HydrophobicContact CE2-CG2 4.12Å; F150-F174 AromaticContact CD2-CD1 3.97Å; F150-F174 HydrophobicContact CD2-CD1 3.97Å; F150-F174 HydrophobicContact CD2-CE1 4.05Å; F150-F174 HydrophobicContact CE2-CD1 4.2Å; F150-F174 AromaticContact CE2-CE1 3.8Å; F150-F174 HydrophobicContact CE2-CE1 3.8Å; F150-L177 HydrophobicContact CB-CD1 4.27Å; F150-L177 HydrophobicContact CB-CD2 4.21Å; F150-L177 HydrophobicContact CB-CG 4.49Å; F150-L177 HydrophobicContact CD2-CD1 4.49Å; F150-L177 HydrophobicContact CG-CD1 4.5Å
151	R	95.8	Very high	97	Very high	198 Å²	198	41.8 Å²	41.8	75%	0.747	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	133.6	-174.4	-167	177.9	-176.6	171.1	0.5	111.4	G148 M153 D176	G148-R151 WeakPolarHBondContact O-CB 3.12Å; G148-R151 PolarHBondContact O-N 2.97Å; R151-M153 VanDerWaalsContact C-N 3.31Å; R151-M153 PolarHBondContact O-N 3.06Å; R151-D176 WeakPolarHBondContact CA-OD2 3.14Å; R151-D176 VanDerWaalsContact CG-OD2 3.22Å; R151-D176 WeakPolarHBondContact CG-OD2 3.12Å
152	G	95.6	Very high	97	Very high	19 Å²	19	42.2 Å²	42.2	20%	0.196	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	4.6	177.7	0	0	0	0	0	116.3	F150 F154 D176	F150-G152 PolarHBondContact O-N 3.08Å; G152-F154 WeakPolarHBondContact O-CD2 3.42Å; G152-F154 WeakPolarHBondContact O-CE2 3.38Å; G152-F154 PolarHBondContact O-N 2.96Å; G152-D176 PolarHBondContact N-OD2 3.36Å
153	M	96.8	Very high	97.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.226	C	C	.	.			trans	-84.9	57	177.3	-58.6	-167.7	-41.4	0	0	111.7	F126 L132 L135 F150 R151 S155 L156 L177	F126-M153 HydrophobicContact CB-SD 3.83Å; L132-M153 HydrophobicContact CD2-SD 4.26Å; L135-M153 HydrophobicContact CD2-CE 4.14Å; F150-M153 HydrophobicContact CB-CE 3.66Å; F150-M153 HydrophobicContact CD1-CE 3.35Å; F150-M153 HydrophobicContact CE1-CE 4.32Å; F150-M153 HydrophobicContact CG-CE 3.84Å; F150-M153 PolarHBondContact O-N 3.44Å; R151-M153 VanDerWaalsContact C-N 3.31Å; R151-M153 PolarHBondContact O-N 3.06Å; M153-S155 PolarHBondContact O-N 2.9Å; M153-S155 VanDerWaalsContact O-N 3.15Å; M153-L156 HydrophobicContact CB-CB 4.4Å; M153-L156 HydrophobicContact CE-CD2 3.9Å; M153-L156 WeakPolarHBondContact O-CB 3.16Å; M153-L156 PolarHBondContact O-N 3.15Å; M153-L156 VanDerWaalsContact O-N 3.15Å; M153-L177 HydrophobicContact CB-CD2 3.89Å; M153-L177 HydrophobicContact CE-CD2 4.21Å; M153-L177 WeakPolarHBondContact O-CD2 3.16Å
154	F	96.1	Very high	97.2	Very high	110 Å²	110	42.3 Å²	42.3	48%	0.482	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.8	-172	-51.8	-70	0	0	0	114.3	G152 D176 N179	G152-F154 WeakPolarHBondContact O-CD2 3.42Å; G152-F154 WeakPolarHBondContact O-CE2 3.38Å; G152-F154 PolarHBondContact O-N 2.96Å; F154-D176 HydrophobicContact CD1-CB 3.99Å; F154-D176 VanDerWaalsContact CD1-O 3.31Å; F154-D176 WeakPolarHBondContact CD1-O 3.2Å; F154-D176 HydrophobicContact CE1-CB 3.71Å; F154-N179 WeakPolarHBondContact O-CB 3.26Å; F154-N179 PolarHBondContact O-ND2 3.13Å
155	S	98.2	Very high	97.4	Very high	32 Å²	32	40.3 Å²	40.3	22%	0.224	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-5.4	-179.5	-53.9	0	0	0	0	113.9	T130 L132 M153 Q157	T130-S155 WeakPolarHBondContact O-CB 3.47Å; T130-S155 PolarHBondContact O-OG 3.39Å; L132-S155 CarbonylContact O-C 3.54Å; M153-S155 PolarHBondContact O-N 2.9Å; M153-S155 VanDerWaalsContact O-N 3.15Å; S155-Q157 PolarHBondContact O-N 3.5Å
156	L	98.8	Very high	97.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.			trans	-66.1	129.7	-173.2	-160	79	0	0	0	110.8	L132 L135 M153 L159 L177 N179 L180	L132-L156 HydrophobicContact CB-CD1 4.18Å; L132-L156 HydrophobicContact CD2-CD1 3.92Å; L132-L156 HydrophobicContact CG-CD1 3.94Å; L132-L156 WeakPolarHBondContact O-CA 3.5Å; L132-L156 PolarHBondContact O-N 3.05Å; L135-L156 HydrophobicContact CB-CD1 3.88Å; L135-L156 HydrophobicContact CB-CD2 4.43Å; M153-L156 HydrophobicContact CB-CB 4.4Å; M153-L156 HydrophobicContact CE-CD2 3.9Å; M153-L156 WeakPolarHBondContact O-CB 3.16Å; M153-L156 PolarHBondContact O-N 3.15Å; M153-L156 VanDerWaalsContact O-N 3.15Å; L156-L159 HydrophobicContact CD2-CB 3.97Å; L156-L159 HydrophobicContact CD2-CD1 4.27Å; L156-L159 HydrophobicContact CD2-CD2 4.39Å; L156-L159 HydrophobicContact CD2-CG 4.44Å; L156-L177 HydrophobicContact CB-CD2 4.22Å; L156-L177 HydrophobicContact CD2-CD1 4.27Å; L156-L177 HydrophobicContact CD2-CD2 4.39Å; L156-N179 CarbonylContact O-C 3.54Å; L156-L180 HydrophobicContact CD2-CD1 4.02Å; L156-L180 HydrophobicContact CG-CD1 4.27Å; L156-L180 WeakPolarHBondContact O-CA 3.49Å; L156-L180 PolarHBondContact O-N 3.04Å
157	Q	98.8	Very high	97.5	Very high	67 Å²	67	46.9 Å²	46.9	31%	0.313	23%	0.226	S	C	.	.			trans	-113.3	-35	-178.9	-67	176.5	11.5	0	0	112.1	H133 S155 T181 Y182	H133-Q157 WeakPolarHBondContact O-CA 3.36Å; H133-Q157 PolarHBondContact O-N 3.45Å; S155-Q157 PolarHBondContact O-N 3.5Å; Q157-T181 PolarHBondContact O-N 3.37Å; Q157-Y182 PolarHBondContact O-N 3.19Å
158	Y	98.9	Very high	97.5	Very high	70 Å²	70	46 Å²	46	28%	0.275	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.8	-176.1	-55.8	-91.8	0	0	0	110.5	H133 L135 Y182	H133-Y158 PolarHBondContact O-N 2.83Å; L135-Y158 PolarHBondContact N-O 3.34Å; Y158-Y182 AromaticContact CD1-CD2 3.58Å; Y158-Y182 HydrophobicContact CD1-CD2 3.58Å; Y158-Y182 HydrophobicContact CD1-CE2 4.37Å; Y158-Y182 AromaticContact CD1-CG 3.72Å; Y158-Y182 HydrophobicContact CD1-CG 3.72Å; Y158-Y182 HydrophobicContact CE1-CD1 4.46Å; Y158-Y182 AromaticContact CE1-CD2 3.22Å; Y158-Y182 HydrophobicContact CE1-CD2 3.22Å; Y158-Y182 AromaticContact CE1-CE2 3.58Å; Y158-Y182 HydrophobicContact CE1-CE2 3.58Å; Y158-Y182 AromaticContact CE1-CG 3.76Å; Y158-Y182 HydrophobicContact CE1-CG 3.76Å
159	L	98.9	Very high	97.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	115.2	176.6	-178.2	54.8	0	0	0	110.6	L135 F150 L156 L161 F174 L177 L180 Y182 L183 H184	L135-L159 HydrophobicContact CB-CD1 4.11Å; L135-L159 HydrophobicContact CD2-CD1 3.98Å; L135-L159 HydrophobicContact CG-CD1 4.09Å; F150-L159 HydrophobicContact CD2-CD2 4.36Å; F150-L159 HydrophobicContact CE1-CD1 4.25Å; F150-L159 HydrophobicContact CE2-CD2 3.92Å; F150-L159 HydrophobicContact CZ-CD1 4.16Å; F150-L159 HydrophobicContact CZ-CD2 3.99Å; L156-L159 HydrophobicContact CD2-CB 3.97Å; L156-L159 HydrophobicContact CD2-CD1 4.27Å; L156-L159 HydrophobicContact CD2-CD2 4.39Å; L156-L159 HydrophobicContact CD2-CG 4.44Å; L159-L161 HydrophobicContact CD1-CD1 4.25Å; L159-L161 HydrophobicContact CD1-CG 4.14Å; L159-L161 HydrophobicContact CD2-CD1 3.81Å; L159-L161 HydrophobicContact CG-CD1 3.85Å; L159-L161 HydrophobicContact CG-CG 4.08Å; L159-F174 HydrophobicContact CD2-CD1 4.09Å; L159-F174 HydrophobicContact CD2-CE1 3.8Å; L159-L177 HydrophobicContact CD2-CD1 4.13Å; L159-L180 HydrophobicContact CB-CD1 3.78Å; L159-Y182 PolarHBondContact N-O 2.96Å; L159-L183 HydrophobicContact CB-CD1 4.1Å; L159-L183 HydrophobicContact CD2-CD1 3.92Å; L159-L183 HydrophobicContact CG-CD1 4.04Å; L159-H184 PolarHBondContact O-N 2.68Å
160	Y	98.9	Very high	97.5	Very high	45 Å²	45	48.8 Å²	48.8	18%	0.176	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	108.5	179.8	-57.1	-78.2	0	0	0	111	T134 L135 H136 L137 H138 H184	T134-Y160 HydrophobicContact CG2-CE2 3.96Å; L135-Y160 PolarHBondContact O-N 3.08Å; H136-Y160 HydrophobicContact CB-CD2 4.44Å; H136-Y160 AromaticContact CD2-CD2 3.91Å; H136-Y160 AromaticContact CE1-CD2 3.49Å; H136-Y160 VanDerWaalsContact CE1-CD2 3.49Å; H136-Y160 WeakPolarHBondContact CE1-CD2 3.32Å; H136-Y160 AromaticContact CE1-CE2 3.41Å; H136-Y160 VanDerWaalsContact CE1-CE2 3.41Å; H136-Y160 WeakPolarHBondContact CE1-CE2 3.36Å; H136-Y160 AromaticContact CG-CD2 3.67Å; H136-Y160 AromaticContact ND1-CD2 3.43Å; H136-Y160 WeakPolarHBondContact ND1-CD2 3.25Å; H136-Y160 AromaticContact ND1-CE2 3.87Å; H136-Y160 AromaticContact NE2-CD2 3.77Å; H136-Y160 AromaticContact NE2-CE2 3.61Å; L137-Y160 CarbonylContact C-O 3.14Å; L137-Y160 VanDerWaalsContact C-O 3.25Å; L137-Y160 VanDerWaalsContact CA-O 3.32Å; L137-Y160 WeakPolarHBondContact CA-O 3.31Å; L137-Y160 PolarHBondContact N-O 3.15Å; H138-Y160 PolarHBondContact N-O 2.99Å; Y160-H184 HydrophobicContact CD1-CB 4.1Å; Y160-H184 AromaticContact CD1-CD2 3.99Å; Y160-H184 AromaticContact CD1-CG 3.73Å; Y160-H184 AromaticContact CD1-ND1 3.79Å; Y160-H184 AromaticContact CE1-CD2 3.92Å; Y160-H184 AromaticContact CE1-CE1 3.77Å; Y160-H184 AromaticContact CE1-ND1 3.92Å; Y160-H184 AromaticContact CE1-NE2 3.78Å
161	L	98.8	Very high	97.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.242	C	C	.	.			trans	-123.9	8.7	179.4	-73.6	164.9	0	0	0	112.3	L137 L142 L145 F150 L159 N164 I166 F174 L183 H184 L185 N188	L137-L161 HydrophobicContact CB-CD2 3.85Å; L137-L161 HydrophobicContact CD1-CD2 4.08Å; L142-L161 HydrophobicContact CD1-CD2 4.34Å; L145-L161 HydrophobicContact CD1-CD1 3.79Å; L145-L161 HydrophobicContact CD1-CD2 4.16Å; L145-L161 HydrophobicContact CD2-CD2 4.07Å; F150-L161 HydrophobicContact CE2-CD1 4.35Å; F150-L161 HydrophobicContact CZ-CD1 4.22Å; F150-L161 HydrophobicContact CZ-CD2 4.48Å; L159-L161 HydrophobicContact CD1-CD1 4.25Å; L159-L161 HydrophobicContact CD1-CG 4.14Å; L159-L161 HydrophobicContact CD2-CD1 3.81Å; L159-L161 HydrophobicContact CG-CD1 3.85Å; L159-L161 HydrophobicContact CG-CG 4.08Å; L161-N164 PolarHBondContact O-ND2 3.18Å; L161-I166 HydrophobicContact CB-CD1 4.31Å; L161-I166 HydrophobicContact CD2-CD1 4.31Å; L161-F174 HydrophobicContact CD1-CE1 4.33Å; L161-L183 HydrophobicContact CD1-CD1 4.46Å; L161-H184 CarbonylContact C-O 3.53Å; L161-H184 WeakPolarHBondContact CA-O 3.32Å; L161-H184 WeakPolarHBondContact CB-O 3.37Å; L161-H184 PolarHBondContact N-O 3.03Å; L161-L185 HydrophobicContact CB-CD2 3.82Å; L161-L185 HydrophobicContact CD1-CD2 3.86Å; L161-N188 PolarHBondContact O-ND2 3.01Å
162	Q	98.8	Very high	97.5	Very high	24 Å²	24	45.5 Å²	45.5	11%	0.112	22%	0.223	C	C	.	.			trans	-64.7	161.6	180	71.7	-84.9	12.2	0	0	113.2	H138 R139 N164 H184 H186	H138-Q162 VanDerWaalsContact CA-O 3.22Å; H138-Q162 WeakPolarHBondContact CA-O 3.48Å; H138-Q162 HydrophobicContact CB-CG 3.98Å; H138-Q162 WeakPolarHBondContact CB-O 3.1Å; R139-Q162 PolarHBondContact N-O 2.93Å; R139-Q162 VanDerWaalsContact N-O 3.16Å; Q162-N164 VanDerWaalsContact C-N 3.29Å; Q162-N164 PolarHBondContact O-N 3.03Å; Q162-N164 PolarHBondContact O-ND2 3.13Å; Q162-H184 HydrophobicContact CB-CB 4.44Å; Q162-H184 PolarHBondContact N-O 3.03Å; Q162-H186 WeakPolarHBondContact CA-O 3.26Å; Q162-H186 WeakPolarHBondContact CB-CE1 3.33Å; Q162-H186 WeakPolarHBondContact CB-NE2 3.4Å; Q162-H186 WeakPolarHBondContact CB-O 3.42Å; Q162-H186 WeakPolarHBondContact CG-NE2 3.06Å
163	D	98.7	Very high	97.6	Very high	42 Å²	42	45.1 Å²	45.1	23%	0.225	22%	0.216	C	C	.	.	S	Bend	trans	57.1	40	178.2	-56.8	-39.4	0	0	0	112.7	R139 H186 N187	R139-D163 VanDerWaalsContact CA-O 3.3Å; R139-D163 WeakPolarHBondContact CA-O 3.45Å; R139-D163 HydrophobicContact CB-CB 4.47Å; R139-D163 HydrophobicContact CG-CB 3.42Å; R139-D163 VanDerWaalsContact CG-CB 3.42Å; R139-D163 IonicContact CZ-OD2 3.81Å; R139-D163 PolarHBondContact N-O 3.4Å; R139-D163 IonicContact NE-OD2 2.78Å; R139-D163 PolarHBondContact NE-OD2 3.17Å; R139-D163 IonicContact NH2-OD2 3.99Å; R139-D163 PolarHBondContact NH2-OD2 3.23Å; D163-H186 PolarHBondContact N-O 2.85Å; D163-H186 VanDerWaalsContact N-O 3.16Å; D163-N187 WeakPolarHBondContact CA-O 3.48Å; D163-N187 PolarHBondContact N-O 3.1Å; D163-N187 WeakPolarHBondContact OD1-CB 3.47Å; D163-N187 PolarHBondContact OD1-ND2 2.95Å
164	N	98.8	Very high	97.7	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.037	22%	0.216	C	C	.	.	S	Bend	trans	-112.7	-171.2	173.5	-80.3	-66.5	0	0	0	110.4	L137 C140 G141 L142 L161 Q162 I166 N187 N188	L137-N164 PolarHBondContact O-ND2 3.3Å; C140-N164 WeakPolarHBondContact CA-OD1 3.33Å; C140-N164 PolarHBondContact N-OD1 3.04Å; G141-N164 PolarHBondContact N-OD1 3.06Å; L142-N164 HydrophobicContact CB-CB 4.2Å; L142-N164 PolarHBondContact N-OD1 2.58Å; L161-N164 PolarHBondContact O-ND2 3.18Å; Q162-N164 VanDerWaalsContact C-N 3.29Å; Q162-N164 PolarHBondContact O-N 3.03Å; Q162-N164 PolarHBondContact O-ND2 3.13Å; N164-I166 HydrophobicContact CB-CD1 4.19Å; N164-I166 HydrophobicContact CB-CG1 4.01Å; N164-N187 PolarHBondContact N-O 2.85Å; N164-N188 WeakPolarHBondContact CA-OD1 3.22Å; N164-N188 WeakPolarHBondContact CB-OD1 3.48Å; N164-N188 PolarHBondContact O-OD1 3.33Å
165	N	98.4	Very high	97.7	Very high	61 Å²	61	42.8 Å²	42.8	33%	0.326	21%	0.211	S	C	.	.			trans	-110.2	23.2	178.6	-70.5	-63.5	0	0	0	112.3	G141 L142 R167 N188 K189	G141-N165 PolarHBondContact O-ND2 3.02Å; L142-N165 CarbonylContact O-C 3.53Å; L142-N165 WeakPolarHBondContact O-CA 3.45Å; L142-N165 WeakPolarHBondContact O-CB 3.34Å; L142-N165 PolarHBondContact O-N 3.01Å; N165-R167 WeakPolarHBondContact O-CG 3.14Å; N165-R167 PolarHBondContact O-N 3Å; N165-N188 PolarHBondContact N-OD1 3.02Å; N165-K189 PolarHBondContact OD1-NZ 3.46Å
166	I	98.3	Very high	97.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.21	C	C	.	.			trans	-65	119	-170.4	-59.9	168.7	0	0	0	109.1	L142 S143 L145 L161 N164 T168 L169 N188 K189 I190	L142-I166 HydrophobicContact CB-CG1 4.39Å; L142-I166 PolarHBondContact O-N 3.12Å; L142-I166 VanDerWaalsContact O-N 3.08Å; S143-I166 WeakPolarHBondContact O-CA 3.15Å; L145-I166 HydrophobicContact CD1-CD1 4.28Å; L145-I166 HydrophobicContact CD2-CD1 4.47Å; L145-I166 HydrophobicContact CG-CD1 4.24Å; L161-I166 HydrophobicContact CB-CD1 4.31Å; L161-I166 HydrophobicContact CD2-CD1 4.31Å; N164-I166 HydrophobicContact CB-CD1 4.19Å; N164-I166 HydrophobicContact CB-CG1 4.01Å; I166-T168 WeakPolarHBondContact CG2-O 3.49Å; I166-L169 HydrophobicContact CG2-CD2 3.88Å; I166-L169 HydrophobicContact CG2-CG 4.11Å; I166-N188 HydrophobicContact CB-CB 4.35Å; I166-N188 VanDerWaalsContact CB-OD1 3.28Å; I166-N188 WeakPolarHBondContact CB-OD1 3.39Å; I166-N188 WeakPolarHBondContact CG1-OD1 3.19Å; I166-N188 PolarHBondContact N-OD1 3.07Å; I166-K189 CarbonylContact O-C 3.34Å; I166-K189 VanDerWaalsContact O-CA 3.26Å; I166-K189 WeakPolarHBondContact O-CA 3.26Å; I166-K189 PolarHBondContact O-N 2.8Å; I166-I190 HydrophobicContact CG2-CG1 4.37Å; I166-I190 PolarHBondContact O-N 3.12Å
167	R	96.5	Very high	97.7	Very high	165 Å²	165	43.1 Å²	43.1	62%	0.623	21%	0.21	S	C	*	.			trans	-94	-36.3	-178.4	-60.5	-177.4	-176.9	-166.7	0.4	112.8	S143 N165 K189 I190	S143-R167 PolarHBondContact O-N 3.48Å; N165-R167 WeakPolarHBondContact O-CG 3.14Å; N165-R167 PolarHBondContact O-N 3Å; R167-K189 WeakPolarHBondContact CA-O 3.41Å; R167-K189 HydrophobicContact CG-CB 4.13Å; R167-I190 WeakPolarHBondContact O-CA 3.5Å
168	T	93.1	Very high	97.6	Very high	85 Å²	85	41.6 Å²	41.6	52%	0.521	21%	0.209	S	C	.	.			trans	-142	143.9	-176.6	52.1	0	0	0	0	108.9	I166	I166-T168 WeakPolarHBondContact CG2-O 3.49Å
169	L	96	Very high	97.6	Very high	10 Å²	10	41.8 Å²	41.8	5%	0.052	22%	0.215	C	C	.	.			trans	-112.3	139.2	165.3	-67.4	167.9	0	0	0	106.7	L145 I166 F174 L185 I190 M197	L145-L169 HydrophobicContact CD1-CD2 3.59Å; L145-L169 HydrophobicContact CG-CD2 4.22Å; I166-L169 HydrophobicContact CG2-CD2 3.88Å; I166-L169 HydrophobicContact CG2-CG 4.11Å; L169-F174 HydrophobicContact CD1-CE2 4.15Å; L169-F174 HydrophobicContact CD1-CZ 4.13Å; L169-F174 HydrophobicContact CD2-CZ 4.35Å; L169-L185 HydrophobicContact CD1-CD1 3.87Å; L169-L185 HydrophobicContact CD1-CD2 4.08Å; L169-I190 HydrophobicContact CD1-CD1 3.9Å; L169-I190 HydrophobicContact CG-CD1 4.47Å; L169-M197 HydrophobicContact CB-CE 3.7Å; L169-M197 HydrophobicContact CB-CG 4.16Å; L169-M197 HydrophobicContact CB-SD 3.83Å; L169-M197 HydrophobicContact CD1-CG 4.33Å; L169-M197 HydrophobicContact CD1-SD 3.93Å; L169-M197 HydrophobicContact CG-SD 4.43Å; L169-M197 WeakPolarHBondContact O-CE 3.39Å
170	H	95.8	Very high	97.6	Very high	85 Å²	85	41.8 Å²	41.8	39%	0.394	22%	0.215	S	C	.	.			trans	-76.7	152.9	175.1	-67.9	-79	0	0	0	109.9	V147 T173	V147-H170 HydrophobicContact CG2-CB 4.33Å; H170-T173 PolarHBondContact N-OG1 2.73Å; H170-T173 WeakPolarHBondContact O-CB 3.48Å; H170-T173 PolarHBondContact O-N 3.07Å; H170-T173 PolarHBondContact O-OG1 3.12Å
171	D	96.8	Very high	97.6	Very high	69 Å²	69	41.4 Å²	41.4	37%	0.369	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	147.3	166.4	-78.1	8.6	0	0	0	110.1	T173 T194 N196	D171-T173 PolarHBondContact O-N 2.77Å; D171-T173 VanDerWaalsContact O-N 3.08Å; D171-T194 WeakPolarHBondContact OD1-CB 3.43Å; D171-T194 PolarHBondContact OD1-OG1 3.21Å; D171-N196 HydrophobicContact CB-CB 3.86Å; D171-N196 PolarHBondContact OD2-ND2 3.12Å
172	D	97.1	Very high	97.6	Very high	64 Å²	64	44.1 Å²	44.1	34%	0.342	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	14.1	178.9	-54.8	-39.4	0	0	0	115.1	F174 V175 N196 R199	D172-F174 PolarHBondContact O-N 3.44Å; D172-F174 VanDerWaalsContact O-N 3.1Å; D172-V175 HydrophobicContact CB-CB 4.01Å; D172-V175 HydrophobicContact CB-CG1 4.26Å; D172-V175 WeakPolarHBondContact O-CB 3.36Å; D172-V175 WeakPolarHBondContact O-CG1 3.33Å; D172-V175 PolarHBondContact O-N 3.25Å; D172-N196 PolarHBondContact N-O 2.87Å; D172-R199 WeakPolarHBondContact OD1-CD 3.19Å; D172-R199 IonicContact OD1-NH1 2.93Å
173	T	97.6	Very high	97.6	Very high	10 Å²	10	43 Å²	43	6%	0.061	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-32.7	177.1	-66	0	0	0	0	112.6	L145 F150 H170 D171	L145-T173 HydrophobicContact CD1-CG2 4.43Å; F150-T173 HydrophobicContact CD2-CG2 3.99Å; F150-T173 HydrophobicContact CE2-CG2 4.12Å; H170-T173 PolarHBondContact N-OG1 2.73Å; H170-T173 WeakPolarHBondContact O-CB 3.48Å; H170-T173 PolarHBondContact O-N 3.07Å; H170-T173 PolarHBondContact O-OG1 3.12Å; D171-T173 PolarHBondContact O-N 2.77Å; D171-T173 VanDerWaalsContact O-N 3.08Å
174	F	98	Very high	97.6	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	14.8	-176.7	-48.2	-65.8	0	0	0	113.8	F150 L159 L161 L169 D172 D176 L177 L183 L185 M197 F198 V201	F150-F174 AromaticContact CD2-CD1 3.97Å; F150-F174 HydrophobicContact CD2-CD1 3.97Å; F150-F174 HydrophobicContact CD2-CE1 4.05Å; F150-F174 HydrophobicContact CE2-CD1 4.2Å; F150-F174 AromaticContact CE2-CE1 3.8Å; F150-F174 HydrophobicContact CE2-CE1 3.8Å; L159-F174 HydrophobicContact CD2-CD1 4.09Å; L159-F174 HydrophobicContact CD2-CE1 3.8Å; L161-F174 HydrophobicContact CD1-CE1 4.33Å; L169-F174 HydrophobicContact CD1-CE2 4.15Å; L169-F174 HydrophobicContact CD1-CZ 4.13Å; L169-F174 HydrophobicContact CD2-CZ 4.35Å; D172-F174 PolarHBondContact O-N 3.44Å; D172-F174 VanDerWaalsContact O-N 3.1Å; F174-D176 VanDerWaalsContact C-N 3.27Å; F174-D176 PolarHBondContact O-N 3.3Å; F174-D176 VanDerWaalsContact O-N 3.13Å; F174-L177 HydrophobicContact CB-CB 4.49Å; F174-L177 HydrophobicContact CB-CD1 3.98Å; F174-L177 HydrophobicContact CB-CG 4.3Å; F174-L177 HydrophobicContact CD1-CD1 3.73Å; F174-L177 HydrophobicContact CG-CD1 4.32Å; F174-L177 WeakPolarHBondContact O-CB 3.37Å; F174-L177 PolarHBondContact O-N 3.47Å; F174-L183 HydrophobicContact CD2-CD2 4.29Å; F174-L183 HydrophobicContact CE1-CD1 4.3Å; F174-L183 HydrophobicContact CE2-CD2 4.02Å; F174-L183 HydrophobicContact CZ-CD1 4.37Å; F174-L183 HydrophobicContact CZ-CD2 4.13Å; F174-L185 HydrophobicContact CZ-CD1 4.44Å; F174-M197 VanDerWaalsContact CD2-O 3.26Å; F174-M197 WeakPolarHBondContact CD2-O 3.49Å; F174-F198 HydrophobicContact CD2-CD1 4.14Å; F174-F198 HydrophobicContact CE2-CD1 4.16Å; F174-F198 HydrophobicContact CE2-CE1 4.09Å; F174-V201 HydrophobicContact CB-CG1 3.65Å
175	V	97.4	Very high	97.6	Very high	61 Å²	61	42.2 Å²	42.2	37%	0.37	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-35	-167.7	68.5	0	0	0	0	114.5	D172 R199	D172-V175 HydrophobicContact CB-CB 4.01Å; D172-V175 HydrophobicContact CB-CG1 4.26Å; D172-V175 WeakPolarHBondContact O-CB 3.36Å; D172-V175 WeakPolarHBondContact O-CG1 3.33Å; D172-V175 PolarHBondContact O-N 3.25Å; V175-R199 WeakPolarHBondContact CA-O 3.49Å
176	D	97.6	Very high	97.6	Very high	40 Å²	40	40.7 Å²	40.7	21%	0.214	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-5.1	-179.5	-72.5	-17.3	0	0	0	113.1	R151 G152 F154 F174 A178	R151-D176 WeakPolarHBondContact CA-OD2 3.14Å; R151-D176 VanDerWaalsContact CG-OD2 3.22Å; R151-D176 WeakPolarHBondContact CG-OD2 3.12Å; G152-D176 PolarHBondContact N-OD2 3.36Å; F154-D176 HydrophobicContact CD1-CB 3.99Å; F154-D176 VanDerWaalsContact CD1-O 3.31Å; F154-D176 WeakPolarHBondContact CD1-O 3.2Å; F154-D176 HydrophobicContact CE1-CB 3.71Å; F174-D176 VanDerWaalsContact C-N 3.27Å; F174-D176 PolarHBondContact O-N 3.3Å; F174-D176 VanDerWaalsContact O-N 3.13Å; D176-A178 PolarHBondContact O-N 3.16Å
177	L	98.3	Very high	97.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.			trans	-86.8	50.7	-172.4	-52.4	-172.8	0	0	0	112	F150 M153 L156 L159 F174 N179 L180 V201	F150-L177 HydrophobicContact CB-CD1 4.27Å; F150-L177 HydrophobicContact CB-CD2 4.21Å; F150-L177 HydrophobicContact CB-CG 4.49Å; F150-L177 HydrophobicContact CD2-CD1 4.49Å; F150-L177 HydrophobicContact CG-CD1 4.5Å; M153-L177 HydrophobicContact CB-CD2 3.89Å; M153-L177 HydrophobicContact CE-CD2 4.21Å; M153-L177 WeakPolarHBondContact O-CD2 3.16Å; L156-L177 HydrophobicContact CB-CD2 4.22Å; L156-L177 HydrophobicContact CD2-CD1 4.27Å; L156-L177 HydrophobicContact CD2-CD2 4.39Å; L159-L177 HydrophobicContact CD2-CD1 4.13Å; F174-L177 HydrophobicContact CB-CB 4.49Å; F174-L177 HydrophobicContact CB-CD1 3.98Å; F174-L177 HydrophobicContact CB-CG 4.3Å; F174-L177 HydrophobicContact CD1-CD1 3.73Å; F174-L177 HydrophobicContact CG-CD1 4.32Å; F174-L177 WeakPolarHBondContact O-CB 3.37Å; F174-L177 PolarHBondContact O-N 3.47Å; L177-N179 PolarHBondContact O-N 3.46Å; L177-N179 VanDerWaalsContact O-N 3.15Å; L177-L180 HydrophobicContact CB-CB 3.96Å; L177-L180 HydrophobicContact CB-CD2 4.4Å; L177-L180 HydrophobicContact CD1-CD2 4.13Å; L177-L180 WeakPolarHBondContact O-CB 3.49Å; L177-L180 PolarHBondContact O-N 2.81Å; L177-V201 HydrophobicContact CB-CG1 4.09Å
178	A	96.8	Very high	97.7	Very high	34 Å²	34	36.7 Å²	36.7	28%	0.281	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.7	-174	0	0	0	0	0	113.6	D176 N203	D176-A178 PolarHBondContact O-N 3.16Å; A178-N203 VanDerWaalsContact O-CB 3.31Å; A178-N203 WeakPolarHBondContact O-CB 3.4Å; A178-N203 PolarHBondContact O-ND2 2.62Å
179	N	98.4	Very high	98	Very high	75 Å²	75	36.1 Å²	36.1	40%	0.401	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	2.8	178.1	-71.3	-9.9	0	0	0	114.1	F154 L156 L177 T181	F154-N179 WeakPolarHBondContact O-CB 3.26Å; F154-N179 PolarHBondContact O-ND2 3.13Å; L156-N179 CarbonylContact O-C 3.54Å; L177-N179 PolarHBondContact O-N 3.46Å; L177-N179 VanDerWaalsContact O-N 3.15Å; N179-T181 PolarHBondContact O-N 3.35Å; N179-T181 PolarHBondContact O-OG1 3.02Å
180	L	98.8	Very high	98.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.			trans	-64	125.5	-177.5	-166.4	71.1	0	0	0	109.9	L156 L159 L177 L183 V201 N203 L204	L156-L180 HydrophobicContact CD2-CD1 4.02Å; L156-L180 HydrophobicContact CG-CD1 4.27Å; L156-L180 WeakPolarHBondContact O-CA 3.49Å; L156-L180 PolarHBondContact O-N 3.04Å; L159-L180 HydrophobicContact CB-CD1 3.78Å; L177-L180 HydrophobicContact CB-CB 3.96Å; L177-L180 HydrophobicContact CB-CD2 4.4Å; L177-L180 HydrophobicContact CD1-CD2 4.13Å; L177-L180 WeakPolarHBondContact O-CB 3.49Å; L177-L180 PolarHBondContact O-N 2.81Å; L180-L183 HydrophobicContact CD2-CB 4.07Å; L180-L183 HydrophobicContact CD2-CD1 4.37Å; L180-L183 HydrophobicContact CD2-CD2 4.32Å; L180-L183 HydrophobicContact CD2-CG 4.49Å; L180-V201 HydrophobicContact CB-CG1 4.16Å; L180-V201 HydrophobicContact CD2-CG1 3.88Å; L180-N203 CarbonylContact O-C 3.04Å; L180-L204 HydrophobicContact CB-CD1 4.44Å; L180-L204 HydrophobicContact CD2-CD1 4.03Å; L180-L204 HydrophobicContact CG-CD1 3.98Å; L180-L204 VanDerWaalsContact O-CA 3.22Å; L180-L204 WeakPolarHBondContact O-CA 3.36Å; L180-L204 PolarHBondContact O-N 3.33Å; L180-L204 VanDerWaalsContact O-N 3.12Å
181	T	98.8	Very high	98.2	Very high	36 Å²	36	36.9 Å²	36.9	22%	0.221	19%	0.191	C	C	.	.			trans	-110.8	-35.2	-176.7	-53.6	0	0	0	0	110.7	Q157 N179 D205 R206	Q157-T181 PolarHBondContact O-N 3.37Å; N179-T181 PolarHBondContact O-N 3.35Å; N179-T181 PolarHBondContact O-OG1 3.02Å; T181-D205 HydrophobicContact CG2-CB 3.61Å; T181-D205 WeakPolarHBondContact O-CB 3.47Å; T181-D205 PolarHBondContact O-N 3.08Å; T181-R206 PolarHBondContact O-N 3.31Å
182	Y	98.9	Very high	98.2	Very high	58 Å²	58	36.5 Å²	36.5	23%	0.227	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.3	-179	-68.7	-111.8	0	0	0	110.8	Q157 Y158 L159 R206	Q157-Y182 PolarHBondContact O-N 3.19Å; Y158-Y182 AromaticContact CD1-CD2 3.58Å; Y158-Y182 HydrophobicContact CD1-CD2 3.58Å; Y158-Y182 HydrophobicContact CD1-CE2 4.37Å; Y158-Y182 AromaticContact CD1-CG 3.72Å; Y158-Y182 HydrophobicContact CD1-CG 3.72Å; Y158-Y182 HydrophobicContact CE1-CD1 4.46Å; Y158-Y182 AromaticContact CE1-CD2 3.22Å; Y158-Y182 HydrophobicContact CE1-CD2 3.22Å; Y158-Y182 AromaticContact CE1-CE2 3.58Å; Y158-Y182 HydrophobicContact CE1-CE2 3.58Å; Y158-Y182 AromaticContact CE1-CG 3.76Å; Y158-Y182 HydrophobicContact CE1-CG 3.76Å; L159-Y182 PolarHBondContact N-O 2.96Å; Y182-R206 HydrophobicContact CD1-CB 4.07Å; Y182-R206 HydrophobicContact CD1-CG 4.07Å; Y182-R206 HydrophobicContact CE1-CB 4.39Å; Y182-R206 VanDerWaalsContact CE1-CD 3.48Å; Y182-R206 HydrophobicContact CE1-CG 3.88Å
183	L	98.9	Very high	98.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	112.6	174.8	-178.8	53.5	0	0	0	110.5	L159 L161 F174 L180 L185 F198 L204 R206 L207 L208	L159-L183 HydrophobicContact CB-CD1 4.1Å; L159-L183 HydrophobicContact CD2-CD1 3.92Å; L159-L183 HydrophobicContact CG-CD1 4.04Å; L161-L183 HydrophobicContact CD1-CD1 4.46Å; F174-L183 HydrophobicContact CD2-CD2 4.29Å; F174-L183 HydrophobicContact CE1-CD1 4.3Å; F174-L183 HydrophobicContact CE2-CD2 4.02Å; F174-L183 HydrophobicContact CZ-CD1 4.37Å; F174-L183 HydrophobicContact CZ-CD2 4.13Å; L180-L183 HydrophobicContact CD2-CB 4.07Å; L180-L183 HydrophobicContact CD2-CD1 4.37Å; L180-L183 HydrophobicContact CD2-CD2 4.32Å; L180-L183 HydrophobicContact CD2-CG 4.49Å; L183-L185 HydrophobicContact CD1-CD1 4.2Å; L183-L185 HydrophobicContact CD1-CG 4.02Å; L183-L185 HydrophobicContact CD2-CD1 3.83Å; L183-L185 HydrophobicContact CG-CD1 3.86Å; L183-L185 HydrophobicContact CG-CG 4.02Å; L183-F198 HydrophobicContact CD2-CD1 4.05Å; L183-F198 HydrophobicContact CD2-CE1 3.85Å; L183-L204 HydrophobicContact CB-CD1 3.78Å; L183-L204 HydrophobicContact CB-CD2 4.36Å; L183-R206 PolarHBondContact N-O 2.91Å; L183-L207 HydrophobicContact CB-CD1 4.17Å; L183-L207 HydrophobicContact CD2-CD1 3.93Å; L183-L207 HydrophobicContact CG-CD1 4.04Å; L183-L208 PolarHBondContact O-N 2.83Å
184	H	98.9	Very high	98.3	Very high	32 Å²	32	34.2 Å²	34.2	15%	0.148	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	108.7	179.5	-69.1	-135.3	0	0	0	109.9	L159 Y160 L161 Q162 H186	L159-H184 PolarHBondContact O-N 2.68Å; Y160-H184 HydrophobicContact CD1-CB 4.1Å; Y160-H184 AromaticContact CD1-CD2 3.99Å; Y160-H184 AromaticContact CD1-CG 3.73Å; Y160-H184 AromaticContact CD1-ND1 3.79Å; Y160-H184 AromaticContact CE1-CD2 3.92Å; Y160-H184 AromaticContact CE1-CE1 3.77Å; Y160-H184 AromaticContact CE1-ND1 3.92Å; Y160-H184 AromaticContact CE1-NE2 3.78Å; L161-H184 CarbonylContact C-O 3.53Å; L161-H184 WeakPolarHBondContact CA-O 3.32Å; L161-H184 WeakPolarHBondContact CB-O 3.37Å; L161-H184 PolarHBondContact N-O 3.03Å; Q162-H184 HydrophobicContact CB-CB 4.44Å; Q162-H184 PolarHBondContact N-O 3.03Å; H184-H186 AromaticContact ND1-CE1 3.69Å
185	L	98.8	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.182	C	C	.	.			trans	-123.2	7.3	179.7	-74.9	168.3	0	0	0	112.8	L161 L169 F174 L183 N188 I190 F198 L207 L208 L209 N212	L161-L185 HydrophobicContact CB-CD2 3.82Å; L161-L185 HydrophobicContact CD1-CD2 3.86Å; L169-L185 HydrophobicContact CD1-CD1 3.87Å; L169-L185 HydrophobicContact CD1-CD2 4.08Å; F174-L185 HydrophobicContact CZ-CD1 4.44Å; L183-L185 HydrophobicContact CD1-CD1 4.2Å; L183-L185 HydrophobicContact CD1-CG 4.02Å; L183-L185 HydrophobicContact CD2-CD1 3.83Å; L183-L185 HydrophobicContact CG-CD1 3.86Å; L183-L185 HydrophobicContact CG-CG 4.02Å; L185-N188 PolarHBondContact O-ND2 3.31Å; L185-I190 HydrophobicContact CB-CD1 4.29Å; L185-I190 HydrophobicContact CD2-CD1 4.37Å; L185-F198 HydrophobicContact CD1-CE1 3.9Å; L185-F198 HydrophobicContact CD1-CZ 4.25Å; L185-L207 HydrophobicContact CD1-CD1 4.44Å; L185-L208 CarbonylContact C-O 3.56Å; L185-L208 VanDerWaalsContact C-O 3.3Å; L185-L208 WeakPolarHBondContact CA-O 3.32Å; L185-L208 WeakPolarHBondContact CB-O 3.28Å; L185-L208 PolarHBondContact N-O 2.9Å; L185-L209 HydrophobicContact CB-CD2 3.74Å; L185-L209 HydrophobicContact CD1-CD2 3.9Å; L185-L209 HydrophobicContact CG-CD2 4.49Å; L185-N212 PolarHBondContact O-ND2 3.36Å
186	H	98.9	Very high	98.3	Very high	30 Å²	30	35.1 Å²	35.1	14%	0.139	18%	0.18	C	C	.	.			trans	-66.3	159.7	-177.6	60.1	-88.3	0	0	0	112.6	Q162 D163 H184 N188 L208 H210	Q162-H186 WeakPolarHBondContact CA-O 3.26Å; Q162-H186 WeakPolarHBondContact CB-CE1 3.33Å; Q162-H186 WeakPolarHBondContact CB-NE2 3.4Å; Q162-H186 WeakPolarHBondContact CB-O 3.42Å; Q162-H186 WeakPolarHBondContact CG-NE2 3.06Å; D163-H186 PolarHBondContact N-O 2.85Å; D163-H186 VanDerWaalsContact N-O 3.16Å; H184-H186 AromaticContact ND1-CE1 3.69Å; H186-N188 PolarHBondContact O-N 3.18Å; H186-N188 PolarHBondContact O-ND2 2.9Å; H186-L208 HydrophobicContact CB-CB 4.48Å; H186-L208 PolarHBondContact N-O 3.46Å; H186-H210 WeakPolarHBondContact CA-O 3.32Å; H186-H210 WeakPolarHBondContact CB-CE1 3.39Å; H186-H210 WeakPolarHBondContact CB-NE2 3.4Å; H186-H210 WeakPolarHBondContact CB-O 3.3Å; H186-H210 AromaticContact CD2-CE1 3.94Å; H186-H210 AromaticContact CD2-NE2 3.56Å; H186-H210 AromaticContact CG-CE1 3.4Å; H186-H210 VanDerWaalsContact CG-CE1 3.4Å; H186-H210 AromaticContact CG-NE2 3.42Å; H186-H210 AromaticContact ND1-CE1 3.7Å
187	N	98.8	Very high	98.3	Very high	73 Å²	73	33.4 Å²	33.4	39%	0.39	17%	0.17	S	C	.	.	S	Bend	trans	54.6	51.3	-177.9	-158.8	36.4	0	0	0	112.5	D163 N164 H210 Q211	D163-N187 WeakPolarHBondContact CA-O 3.48Å; D163-N187 PolarHBondContact N-O 3.1Å; D163-N187 WeakPolarHBondContact OD1-CB 3.47Å; D163-N187 PolarHBondContact OD1-ND2 2.95Å; N164-N187 PolarHBondContact N-O 2.85Å; N187-H210 PolarHBondContact N-O 2.81Å; N187-H210 VanDerWaalsContact N-O 3.12Å; N187-Q211 WeakPolarHBondContact CA-O 3.29Å; N187-Q211 HydrophobicContact CB-CB 4.44Å; N187-Q211 PolarHBondContact N-O 3.05Å
188	N	98.8	Very high	98.3	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.043	17%	0.171	C	C	.	.	S	Bend	trans	-124.4	-164.5	173.2	-87.7	-77.1	0	0	0	109.3	L161 N164 N165 I166 L185 H186 I190 Q211 N212	L161-N188 PolarHBondContact O-ND2 3.01Å; N164-N188 WeakPolarHBondContact CA-OD1 3.22Å; N164-N188 WeakPolarHBondContact CB-OD1 3.48Å; N164-N188 PolarHBondContact O-OD1 3.33Å; N165-N188 PolarHBondContact N-OD1 3.02Å; I166-N188 HydrophobicContact CB-CB 4.35Å; I166-N188 VanDerWaalsContact CB-OD1 3.28Å; I166-N188 WeakPolarHBondContact CB-OD1 3.39Å; I166-N188 WeakPolarHBondContact CG1-OD1 3.19Å; I166-N188 PolarHBondContact N-OD1 3.07Å; L185-N188 PolarHBondContact O-ND2 3.31Å; H186-N188 PolarHBondContact O-N 3.18Å; H186-N188 PolarHBondContact O-ND2 2.9Å; N188-I190 HydrophobicContact CB-CD1 4.42Å; N188-I190 HydrophobicContact CB-CG1 4.29Å; N188-Q211 PolarHBondContact N-O 3.09Å; N188-N212 VanDerWaalsContact CA-OD1 3.29Å; N188-N212 WeakPolarHBondContact CA-OD1 3.41Å; N188-N212 WeakPolarHBondContact CB-OD1 3.36Å; N188-N212 PolarHBondContact N-OD1 3.49Å; N188-N212 PolarHBondContact O-OD1 2.97Å
189	K	98.5	Very high	98.4	Very high	73 Å²	73	37.6 Å²	37.6	32%	0.317	18%	0.179	S	C	.	.			trans	-121.7	27.4	-177.1	-65	174.3	176.1	161.4	0	111.9	N165 I166 R167 K191 N212	N165-K189 PolarHBondContact OD1-NZ 3.46Å; I166-K189 CarbonylContact O-C 3.34Å; I166-K189 VanDerWaalsContact O-CA 3.26Å; I166-K189 WeakPolarHBondContact O-CA 3.26Å; I166-K189 PolarHBondContact O-N 2.8Å; R167-K189 WeakPolarHBondContact CA-O 3.41Å; R167-K189 HydrophobicContact CG-CB 4.13Å; K189-K191 PolarHBondContact O-N 3.09Å; K189-N212 PolarHBondContact N-OD1 2.99Å
190	I	98.3	Very high	98.3	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.167	C	C	.	.			trans	-68.5	130.1	-176.9	-59	168.5	0	0	0	109.1	I166 R167 L169 L185 N188 L209 N212 Q213 V214	I166-I190 HydrophobicContact CG2-CG1 4.37Å; I166-I190 PolarHBondContact O-N 3.12Å; R167-I190 WeakPolarHBondContact O-CA 3.5Å; L169-I190 HydrophobicContact CD1-CD1 3.9Å; L169-I190 HydrophobicContact CG-CD1 4.47Å; L185-I190 HydrophobicContact CB-CD1 4.29Å; L185-I190 HydrophobicContact CD2-CD1 4.37Å; N188-I190 HydrophobicContact CB-CD1 4.42Å; N188-I190 HydrophobicContact CB-CG1 4.29Å; I190-L209 HydrophobicContact CD1-CD2 4.16Å; I190-N212 HydrophobicContact CB-CB 4.43Å; I190-N212 WeakPolarHBondContact CB-OD1 3.14Å; I190-N212 WeakPolarHBondContact CG1-OD1 3.26Å; I190-N212 PolarHBondContact N-OD1 2.74Å; I190-Q213 CarbonylContact O-C 3.45Å; I190-Q213 WeakPolarHBondContact O-CA 3.42Å; I190-Q213 PolarHBondContact O-N 3.35Å; I190-V214 HydrophobicContact CG2-CG2 4.34Å; I190-V214 PolarHBondContact O-N 2.95Å
191	K	97.3	Very high	98.2	Very high	109 Å²	109	34.7 Å²	34.7	47%	0.474	17%	0.167	S	C	.	.			trans	-106.5	-32.4	-177.6	-66.3	-171.9	178.1	-172.2	0	115.4	K189 Q213 V214 I215	K189-K191 PolarHBondContact O-N 3.09Å; K191-Q213 WeakPolarHBondContact CA-O 3.22Å; K191-Q213 HydrophobicContact CG-CB 4.17Å; K191-V214 CarbonylContact O-C 3.09Å; K191-V214 WeakPolarHBondContact O-CA 3.34Å; K191-I215 PolarHBondContact O-N 2.83Å
192	I	97.5	Very high	98.2	Very high	61 Å²	61	37.1 Å²	37.1	31%	0.313	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134.2	-174.4	-57.8	175.3	0	0	0	107.8	T194 F216 L319	I192-T194 HydrophobicContact CG2-CG2 4.16Å; I192-F216 WeakPolarHBondContact CA-O 3.47Å; I192-F216 HydrophobicContact CG2-CD1 4.47Å; I192-L319 HydrophobicContact CD1-CD1 4.29Å
193	V	98.1	Very high	98.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	112.4	168.2	-176.3	0	0	0	0	107.8	M197 F198 L209 V214 F216 V217 Q218 A221 F222	V193-M197 HydrophobicContact CG1-CB 4.38Å; V193-M197 HydrophobicContact CG1-SD 4.32Å; V193-F198 HydrophobicContact CG1-CD2 3.97Å; V193-F198 HydrophobicContact CG1-CE2 3.43Å; V193-F198 VanDerWaalsContact CG1-CE2 3.43Å; V193-F198 HydrophobicContact CG1-CZ 4.37Å; V193-L209 HydrophobicContact CG2-CD1 4.46Å; V193-V214 HydrophobicContact CG2-CG1 3.98Å; V193-V214 HydrophobicContact CG2-CG2 4.37Å; V193-F216 PolarHBondContact N-O 3.06Å; V193-V217 HydrophobicContact CB-CB 4.43Å; V193-V217 HydrophobicContact CB-CG1 4.18Å; V193-V217 HydrophobicContact CB-CG2 4.18Å; V193-V217 HydrophobicContact CG1-CG1 4.37Å; V193-V217 HydrophobicContact CG2-CG2 4.22Å; V193-Q218 PolarHBondContact O-N 3.05Å; V193-A221 HydrophobicContact CG1-CB 3.76Å; V193-F222 HydrophobicContact CG1-CE1 4.39Å
194	T	98.1	Very high	98.2	Very high	27 Å²	27	36.4 Å²	36.4	17%	0.166	18%	0.178	C	C	.	.			trans	-86.1	162.4	-177.5	56.3	0	0	0	0	112.2	D171 I192 N196 M197	D171-T194 WeakPolarHBondContact OD1-CB 3.43Å; D171-T194 PolarHBondContact OD1-OG1 3.21Å; I192-T194 HydrophobicContact CG2-CG2 4.16Å; T194-N196 PolarHBondContact O-N 3.34Å; T194-M197 HydrophobicContact CG2-CE 4.39Å; T194-M197 WeakPolarHBondContact O-CB 3.49Å; T194-M197 PolarHBondContact O-N 3.49Å; T194-M197 WeakPolarHBondContact OG1-CB 3.37Å; T194-M197 WeakPolarHBondContact OG1-CE 3.19Å
195	D	98.1	Very high	98.2	Very high	22 Å²	22	35.6 Å²	35.6	12%	0.118	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-38.1	-178.7	-86.4	-5.5	0	0	0	112.2	Q218 R220	D195-Q218 WeakPolarHBondContact OD1-CB 3.12Å; D195-R220 HydrophobicContact CB-CB 4.32Å; D195-R220 WeakPolarHBondContact OD1-CA 3.33Å; D195-R220 WeakPolarHBondContact OD1-CB 3.28Å; D195-R220 PolarHBondContact OD1-N 3.22Å; D195-R220 IonicContact OD2-CZ 3.76Å; D195-R220 IonicContact OD2-NE 3.46Å; D195-R220 PolarHBondContact OD2-NE 3.31Å; D195-R220 IonicContact OD2-NH2 3.66Å; D195-R220 PolarHBondContact OD2-NH2 2.82Å
196	N	97.8	Very high	98.2	Very high	59 Å²	59	40.1 Å²	40.1	32%	0.316	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	12.4	-177	-46.4	-60.4	0	0	0	113.5	D171 D172 T194 F198 R199	D171-N196 HydrophobicContact CB-CB 3.86Å; D171-N196 PolarHBondContact OD2-ND2 3.12Å; D172-N196 PolarHBondContact N-O 2.87Å; T194-N196 PolarHBondContact O-N 3.34Å; N196-F198 VanDerWaalsContact C-N 3.29Å; N196-F198 PolarHBondContact O-N 3.28Å; N196-R199 HydrophobicContact CB-CB 4.29Å; N196-R199 PolarHBondContact O-N 3.33Å
197	M	97.8	Very high	98.2	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.015	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-39.2	-179.9	-172.8	154.9	-66	0	0	112.1	L169 F174 V193 T194	L169-M197 HydrophobicContact CB-CE 3.7Å; L169-M197 HydrophobicContact CB-CG 4.16Å; L169-M197 HydrophobicContact CB-SD 3.83Å; L169-M197 HydrophobicContact CD1-CG 4.33Å; L169-M197 HydrophobicContact CD1-SD 3.93Å; L169-M197 HydrophobicContact CG-SD 4.43Å; L169-M197 WeakPolarHBondContact O-CE 3.39Å; F174-M197 VanDerWaalsContact CD2-O 3.26Å; F174-M197 WeakPolarHBondContact CD2-O 3.49Å; V193-M197 HydrophobicContact CG1-CB 4.38Å; V193-M197 HydrophobicContact CG1-SD 4.32Å; T194-M197 HydrophobicContact CG2-CE 4.39Å; T194-M197 WeakPolarHBondContact O-CB 3.49Å; T194-M197 PolarHBondContact O-N 3.49Å; T194-M197 WeakPolarHBondContact OG1-CB 3.37Å; T194-M197 WeakPolarHBondContact OG1-CE 3.19Å
198	F	98.3	Very high	98.2	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.009	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	26.4	-179.1	-56.1	-59.9	0	0	0	112.6	F174 L183 L185 V193 N196 V201 L207 L209 F222 L225	F174-F198 HydrophobicContact CD2-CD1 4.14Å; F174-F198 HydrophobicContact CE2-CD1 4.16Å; F174-F198 HydrophobicContact CE2-CE1 4.09Å; L183-F198 HydrophobicContact CD2-CD1 4.05Å; L183-F198 HydrophobicContact CD2-CE1 3.85Å; L185-F198 HydrophobicContact CD1-CE1 3.9Å; L185-F198 HydrophobicContact CD1-CZ 4.25Å; V193-F198 HydrophobicContact CG1-CD2 3.97Å; V193-F198 HydrophobicContact CG1-CE2 3.43Å; V193-F198 VanDerWaalsContact CG1-CE2 3.43Å; V193-F198 HydrophobicContact CG1-CZ 4.37Å; N196-F198 VanDerWaalsContact C-N 3.29Å; N196-F198 PolarHBondContact O-N 3.28Å; F198-V201 HydrophobicContact CB-CG2 3.91Å; F198-V201 WeakPolarHBondContact O-CG2 3.27Å; F198-L207 HydrophobicContact CD2-CD2 4.1Å; F198-L207 HydrophobicContact CE1-CD1 3.93Å; F198-L207 HydrophobicContact CE1-CD2 4.31Å; F198-L207 HydrophobicContact CE2-CD2 3.8Å; F198-L207 HydrophobicContact CG-CD2 4.47Å; F198-L207 HydrophobicContact CZ-CD1 4.02Å; F198-L207 HydrophobicContact CZ-CD2 3.95Å; F198-L209 HydrophobicContact CE2-CD1 3.99Å; F198-L209 HydrophobicContact CZ-CD1 3.82Å; F198-L209 HydrophobicContact CZ-CD2 4.26Å; F198-L209 HydrophobicContact CZ-CG 4.47Å; F198-F222 HydrophobicContact CD2-CD1 4.29Å; F198-F222 HydrophobicContact CD2-CE1 4.21Å; F198-F222 HydrophobicContact CE2-CE1 4.19Å; F198-L225 HydrophobicContact CB-CD1 4.39Å; F198-L225 HydrophobicContact CB-CD2 4.19Å; F198-L225 HydrophobicContact CD2-CD1 4.49Å
199	R	97.8	Very high	98.2	Very high	120 Å²	120	35.7 Å²	35.7	45%	0.453	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	139.3	174.7	-170.6	178.5	175.6	-162.6	1.8	110.5	D172 V175 N196 V201 D224	D172-R199 WeakPolarHBondContact OD1-CD 3.19Å; D172-R199 IonicContact OD1-NH1 2.93Å; V175-R199 WeakPolarHBondContact CA-O 3.49Å; N196-R199 HydrophobicContact CB-CB 4.29Å; N196-R199 PolarHBondContact O-N 3.33Å; R199-V201 VanDerWaalsContact C-N 3.35Å; R199-V201 PolarHBondContact O-N 3.44Å; R199-D224 WeakPolarHBondContact CA-OD2 3.42Å
200	G	96.6	Very high	98.2	Very high	15 Å²	15	33.2 Å²	33.2	16%	0.155	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-16	174.9	0	0	0	0	0	116.1	I202 D224	G200-I202 PolarHBondContact O-N 3.42Å; G200-D224 PolarHBondContact N-OD2 3.39Å
201	V	98	Very high	98.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.177	C	C	.	.			trans	-82.3	56.6	177.3	-70.3	0	0	0	0	112.5	F174 L177 L180 F198 R199 N203 L204 L225	F174-V201 HydrophobicContact CB-CG1 3.65Å; L177-V201 HydrophobicContact CB-CG1 4.09Å; L180-V201 HydrophobicContact CB-CG1 4.16Å; L180-V201 HydrophobicContact CD2-CG1 3.88Å; F198-V201 HydrophobicContact CB-CG2 3.91Å; F198-V201 WeakPolarHBondContact O-CG2 3.27Å; R199-V201 VanDerWaalsContact C-N 3.35Å; R199-V201 PolarHBondContact O-N 3.44Å; V201-N203 PolarHBondContact O-N 3.08Å; V201-N203 VanDerWaalsContact O-N 3.17Å; V201-L204 HydrophobicContact CB-CB 4.36Å; V201-L204 HydrophobicContact CG2-CD2 4.27Å; V201-L204 WeakPolarHBondContact O-CB 3.3Å; V201-L204 PolarHBondContact O-N 3Å; V201-L225 HydrophobicContact CG2-CD2 3.74Å
202	I	98	Very high	98.3	Very high	86 Å²	86	32.5 Å²	32.5	44%	0.441	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.3	-172.4	60.2	170.8	0	0	0	115	G200 D224	G200-I202 PolarHBondContact O-N 3.42Å; I202-D224 HydrophobicContact CG2-CB 4.33Å
203	N	98.5	Very high	98.3	Very high	43 Å²	43	33.2 Å²	33.2	23%	0.23	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	10.2	179.6	-69.4	-51.9	0	0	0	114	A178 L180 V201 D205 K227	A178-N203 VanDerWaalsContact O-CB 3.31Å; A178-N203 WeakPolarHBondContact O-CB 3.4Å; A178-N203 PolarHBondContact O-ND2 2.62Å; L180-N203 CarbonylContact O-C 3.04Å; V201-N203 PolarHBondContact O-N 3.08Å; V201-N203 VanDerWaalsContact O-N 3.17Å; N203-D205 PolarHBondContact O-N 3.35Å; N203-K227 WeakPolarHBondContact OD1-CD 3.41Å; N203-K227 PolarHBondContact OD1-NZ 3.05Å
204	L	98.8	Very high	98.3	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	16%	0.159	C	C	.	.			trans	-64.1	125.5	-176.5	-160.3	69	0	0	0	111.1	L180 L183 V201 L207 L225 K227 L228	L180-L204 HydrophobicContact CB-CD1 4.44Å; L180-L204 HydrophobicContact CD2-CD1 4.03Å; L180-L204 HydrophobicContact CG-CD1 3.98Å; L180-L204 VanDerWaalsContact O-CA 3.22Å; L180-L204 WeakPolarHBondContact O-CA 3.36Å; L180-L204 PolarHBondContact O-N 3.33Å; L180-L204 VanDerWaalsContact O-N 3.12Å; L183-L204 HydrophobicContact CB-CD1 3.78Å; L183-L204 HydrophobicContact CB-CD2 4.36Å; V201-L204 HydrophobicContact CB-CB 4.36Å; V201-L204 HydrophobicContact CG2-CD2 4.27Å; V201-L204 WeakPolarHBondContact O-CB 3.3Å; V201-L204 PolarHBondContact O-N 3Å; L204-L207 HydrophobicContact CD2-CB 3.94Å; L204-L207 HydrophobicContact CD2-CD1 4.34Å; L204-L207 HydrophobicContact CD2-CD2 4.47Å; L204-L207 HydrophobicContact CD2-CG 4.48Å; L204-L225 HydrophobicContact CB-CD2 4.2Å; L204-L225 HydrophobicContact CD2-CD2 3.95Å; L204-K227 CarbonylContact O-C 3.58Å; L204-K227 VanDerWaalsContact O-C 3.25Å; L204-L228 HydrophobicContact CB-CD1 4.22Å; L204-L228 HydrophobicContact CD2-CD1 3.95Å; L204-L228 HydrophobicContact CG-CD1 3.89Å; L204-L228 WeakPolarHBondContact O-CA 3.49Å; L204-L228 PolarHBondContact O-N 3.02Å; L204-L228 VanDerWaalsContact O-N 3.13Å
205	D	98.8	Very high	98.3	Very high	15 Å²	15	35 Å²	35	8%	0.08	17%	0.167	C	C	.	.			trans	-97.7	-39.6	176.7	-175.8	94.2	0	0	0	110.9	T181 N203 K229 S230	T181-D205 HydrophobicContact CG2-CB 3.61Å; T181-D205 WeakPolarHBondContact O-CB 3.47Å; T181-D205 PolarHBondContact O-N 3.08Å; N203-D205 PolarHBondContact O-N 3.35Å; D205-K229 PolarHBondContact O-N 2.97Å; D205-K229 WeakPolarHBondContact OD1-CD 3.3Å; D205-K229 VanDerWaalsContact OD1-CE 3.31Å; D205-K229 WeakPolarHBondContact OD1-CE 3.34Å; D205-K229 WeakPolarHBondContact OD1-CG 3.27Å; D205-K229 IonicContact OD1-NZ 2.71Å; D205-K229 PolarHBondContact OD1-NZ 2.96Å; D205-S230 PolarHBondContact O-N 3.26Å
206	R	98.9	Very high	98.2	Very high	95 Å²	95	36.1 Å²	36.1	36%	0.358	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.9	-179	-52.7	-161.9	-170.2	-130.5	0.7	113	T181 Y182 L183 S230	T181-R206 PolarHBondContact O-N 3.31Å; Y182-R206 HydrophobicContact CD1-CB 4.07Å; Y182-R206 HydrophobicContact CD1-CG 4.07Å; Y182-R206 HydrophobicContact CE1-CB 4.39Å; Y182-R206 VanDerWaalsContact CE1-CD 3.48Å; Y182-R206 HydrophobicContact CE1-CG 3.88Å; L183-R206 PolarHBondContact N-O 2.91Å; R206-S230 WeakPolarHBondContact CA-O 3.3Å; R206-S230 PolarHBondContact NH1-OG 3.08Å
207	L	98.9	Very high	98.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	114.3	173.8	179.3	55	0	0	0	109.6	L183 L185 F198 L204 L209 F222 L225 L228 S230 L231 F232	L183-L207 HydrophobicContact CB-CD1 4.17Å; L183-L207 HydrophobicContact CD2-CD1 3.93Å; L183-L207 HydrophobicContact CG-CD1 4.04Å; L185-L207 HydrophobicContact CD1-CD1 4.44Å; F198-L207 HydrophobicContact CD2-CD2 4.1Å; F198-L207 HydrophobicContact CE1-CD1 3.93Å; F198-L207 HydrophobicContact CE1-CD2 4.31Å; F198-L207 HydrophobicContact CE2-CD2 3.8Å; F198-L207 HydrophobicContact CG-CD2 4.47Å; F198-L207 HydrophobicContact CZ-CD1 4.02Å; F198-L207 HydrophobicContact CZ-CD2 3.95Å; L204-L207 HydrophobicContact CD2-CB 3.94Å; L204-L207 HydrophobicContact CD2-CD1 4.34Å; L204-L207 HydrophobicContact CD2-CD2 4.47Å; L204-L207 HydrophobicContact CD2-CG 4.48Å; L207-L209 HydrophobicContact CD1-CD1 4.16Å; L207-L209 HydrophobicContact CD1-CG 4.05Å; L207-L209 HydrophobicContact CD2-CD1 3.87Å; L207-L209 HydrophobicContact CG-CD1 3.9Å; L207-L209 HydrophobicContact CG-CG 4.12Å; L207-F222 HydrophobicContact CD2-CE1 4.4Å; L207-L225 HydrophobicContact CD2-CD1 3.94Å; L207-L228 HydrophobicContact CB-CD1 3.81Å; L207-L228 HydrophobicContact CB-CD2 4.27Å; L207-S230 PolarHBondContact N-O 3.48Å; L207-L231 HydrophobicContact CB-CD1 4.11Å; L207-L231 HydrophobicContact CD2-CD1 3.93Å; L207-L231 HydrophobicContact CG-CD1 4.03Å; L207-F232 PolarHBondContact O-N 2.85Å
208	L	98.9	Very high	98.2	Very high	18 Å²	18	36.3 Å²	36.3	9%	0.094	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	106.5	-179.5	-50.4	-174	0	0	0	110.1	L183 L185 H186 F232	L183-L208 PolarHBondContact O-N 2.83Å; L185-L208 CarbonylContact C-O 3.56Å; L185-L208 VanDerWaalsContact C-O 3.3Å; L185-L208 WeakPolarHBondContact CA-O 3.32Å; L185-L208 WeakPolarHBondContact CB-O 3.28Å; L185-L208 PolarHBondContact N-O 2.9Å; H186-L208 HydrophobicContact CB-CB 4.48Å; H186-L208 PolarHBondContact N-O 3.46Å; L208-F232 HydrophobicContact CD2-CB 3.99Å; L208-F232 HydrophobicContact CD2-CD1 4.48Å; L208-F232 HydrophobicContact CD2-CD2 3.52Å; L208-F232 HydrophobicContact CD2-CE2 4.07Å; L208-F232 HydrophobicContact CD2-CG 3.76Å
209	L	98.8	Very high	98.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.			trans	-120.3	9.1	179.6	-76.1	166	0	0	0	112.9	L185 I190 V193 F198 L207 N212 F232 L233 N236	L185-L209 HydrophobicContact CB-CD2 3.74Å; L185-L209 HydrophobicContact CD1-CD2 3.9Å; L185-L209 HydrophobicContact CG-CD2 4.49Å; I190-L209 HydrophobicContact CD1-CD2 4.16Å; V193-L209 HydrophobicContact CG2-CD1 4.46Å; F198-L209 HydrophobicContact CE2-CD1 3.99Å; F198-L209 HydrophobicContact CZ-CD1 3.82Å; F198-L209 HydrophobicContact CZ-CD2 4.26Å; F198-L209 HydrophobicContact CZ-CG 4.47Å; L207-L209 HydrophobicContact CD1-CD1 4.16Å; L207-L209 HydrophobicContact CD1-CG 4.05Å; L207-L209 HydrophobicContact CD2-CD1 3.87Å; L207-L209 HydrophobicContact CG-CD1 3.9Å; L207-L209 HydrophobicContact CG-CG 4.12Å; L209-N212 WeakPolarHBondContact O-CB 3.4Å; L209-N212 PolarHBondContact O-ND2 2.93Å; L209-N212 VanDerWaalsContact O-ND2 3.08Å; L209-F232 CarbonylContact C-O 3.52Å; L209-F232 VanDerWaalsContact C-O 3.32Å; L209-F232 WeakPolarHBondContact CA-O 3.01Å; L209-F232 WeakPolarHBondContact CB-O 3.02Å; L209-F232 PolarHBondContact N-O 3.06Å; L209-L233 HydrophobicContact CB-CD2 3.7Å; L209-L233 HydrophobicContact CD1-CD2 3.87Å; L209-L233 HydrophobicContact CG-CD2 4.46Å; L209-N236 PolarHBondContact O-ND2 3.17Å
210	H	98.8	Very high	98.1	Very high	21 Å²	21	41.9 Å²	41.9	10%	0.097	20%	0.2	C	C	.	.			trans	-63.6	159.7	179.3	60.8	-88.5	0	0	0	112.4	H186 N187 N212 F232 F234	H186-H210 WeakPolarHBondContact CA-O 3.32Å; H186-H210 WeakPolarHBondContact CB-CE1 3.39Å; H186-H210 WeakPolarHBondContact CB-NE2 3.4Å; H186-H210 WeakPolarHBondContact CB-O 3.3Å; H186-H210 AromaticContact CD2-CE1 3.94Å; H186-H210 AromaticContact CD2-NE2 3.56Å; H186-H210 AromaticContact CG-CE1 3.4Å; H186-H210 VanDerWaalsContact CG-CE1 3.4Å; H186-H210 AromaticContact CG-NE2 3.42Å; H186-H210 AromaticContact ND1-CE1 3.7Å; N187-H210 PolarHBondContact N-O 2.81Å; N187-H210 VanDerWaalsContact N-O 3.12Å; H210-N212 PolarHBondContact O-N 2.96Å; H210-N212 PolarHBondContact O-ND2 2.9Å; H210-F232 HydrophobicContact CB-CB 4.32Å; H210-F232 PolarHBondContact N-O 3.08Å; H210-F232 AromaticContact ND1-CD2 3.89Å; H210-F234 WeakPolarHBondContact CA-O 3.47Å; H210-F234 HydrophobicContact CB-CD1 3.39Å; H210-F234 HydrophobicContact CB-CD2 4.07Å; H210-F234 HydrophobicContact CB-CE1 3.24Å; H210-F234 HydrophobicContact CB-CE2 3.93Å; H210-F234 HydrophobicContact CB-CG 3.81Å; H210-F234 HydrophobicContact CB-CZ 3.52Å; H210-F234 WeakPolarHBondContact CB-O 3.38Å; H210-F234 AromaticContact CD2-CE1 3.8Å; H210-F234 AromaticContact CD2-CE2 3.98Å; H210-F234 AromaticContact CD2-CZ 3.33Å; H210-F234 WeakPolarHBondContact CD2-CZ 3.38Å; H210-F234 AromaticContact CG-CD1 4Å; H210-F234 AromaticContact CG-CE1 3.3Å; H210-F234 AromaticContact CG-CZ 3.35Å; H210-F234 AromaticContact ND1-CE1 3.64Å; H210-F234 AromaticContact ND1-CZ 3.96Å; H210-F234 AromaticContact NE2-CZ 3.94Å
211	Q	98.7	Very high	98.2	Very high	86 Å²	86	41.3 Å²	41.3	40%	0.402	19%	0.194	S	C	.	.	S	Bend	trans	54.4	42.2	-178.3	-62.7	172.5	-29.4	0	0	112.1	N187 N188 F234 F235	N187-Q211 WeakPolarHBondContact CA-O 3.29Å; N187-Q211 HydrophobicContact CB-CB 4.44Å; N187-Q211 PolarHBondContact N-O 3.05Å; N188-Q211 PolarHBondContact N-O 3.09Å; Q211-F234 PolarHBondContact N-O 3.07Å; Q211-F234 VanDerWaalsContact N-O 3.11Å; Q211-F235 WeakPolarHBondContact CA-O 3.35Å; Q211-F235 HydrophobicContact CG-CB 4.05Å; Q211-F235 HydrophobicContact CG-CD2 4.31Å; Q211-F235 PolarHBondContact N-O 2.8Å; Q211-F235 VanDerWaalsContact N-O 3.13Å
212	N	98.8	Very high	98.2	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.048	20%	0.195	C	C	.	.	S	Bend	trans	-110.3	-162.7	168.1	-89	-83.7	0	0	0	108.7	L185 N188 K189 I190 L209 H210 V214 N236	L185-N212 PolarHBondContact O-ND2 3.36Å; N188-N212 VanDerWaalsContact CA-OD1 3.29Å; N188-N212 WeakPolarHBondContact CA-OD1 3.41Å; N188-N212 WeakPolarHBondContact CB-OD1 3.36Å; N188-N212 PolarHBondContact N-OD1 3.49Å; N188-N212 PolarHBondContact O-OD1 2.97Å; K189-N212 PolarHBondContact N-OD1 2.99Å; I190-N212 HydrophobicContact CB-CB 4.43Å; I190-N212 WeakPolarHBondContact CB-OD1 3.14Å; I190-N212 WeakPolarHBondContact CG1-OD1 3.26Å; I190-N212 PolarHBondContact N-OD1 2.74Å; L209-N212 WeakPolarHBondContact O-CB 3.4Å; L209-N212 PolarHBondContact O-ND2 2.93Å; L209-N212 VanDerWaalsContact O-ND2 3.08Å; H210-N212 PolarHBondContact O-N 2.96Å; H210-N212 PolarHBondContact O-ND2 2.9Å; N212-V214 HydrophobicContact CB-CG2 3.97Å; N212-N236 VanDerWaalsContact CA-OD1 3.25Å; N212-N236 WeakPolarHBondContact CA-OD1 3.3Å; N212-N236 WeakPolarHBondContact CB-OD1 3.13Å; N212-N236 PolarHBondContact N-OD1 3.36Å; N212-N236 PolarHBondContact O-OD1 3.48Å
213	Q	98.2	Very high	98.2	Very high	75 Å²	75	40.1 Å²	40.1	35%	0.35	19%	0.194	S	C	.	.			trans	-120	32.9	176.8	-61	175.8	9.5	0	0	110.1	I190 K191 I215 N236	I190-Q213 CarbonylContact O-C 3.45Å; I190-Q213 WeakPolarHBondContact O-CA 3.42Å; I190-Q213 PolarHBondContact O-N 3.35Å; K191-Q213 WeakPolarHBondContact CA-O 3.22Å; K191-Q213 HydrophobicContact CG-CB 4.17Å; Q213-I215 WeakPolarHBondContact O-CG1 3.3Å; Q213-I215 PolarHBondContact O-N 3.48Å; Q213-N236 PolarHBondContact N-OD1 3.27Å
214	V	98.4	Very high	98.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.196	C	C	.	.			trans	-67.3	119.2	-172.2	-176	0	0	0	0	109	I190 K191 V193 N212 V217 N236 N237 L238	I190-V214 HydrophobicContact CG2-CG2 4.34Å; I190-V214 PolarHBondContact O-N 2.95Å; K191-V214 CarbonylContact O-C 3.09Å; K191-V214 WeakPolarHBondContact O-CA 3.34Å; V193-V214 HydrophobicContact CG2-CG1 3.98Å; V193-V214 HydrophobicContact CG2-CG2 4.37Å; N212-V214 HydrophobicContact CB-CG2 3.97Å; V214-V217 HydrophobicContact CG1-CG2 4.08Å; V214-N236 HydrophobicContact CB-CB 4.25Å; V214-N236 WeakPolarHBondContact CB-OD1 3.38Å; V214-N236 WeakPolarHBondContact CG2-OD1 3.3Å; V214-N236 PolarHBondContact N-OD1 3.25Å; V214-N237 CarbonylContact O-C 3.57Å; V214-N237 WeakPolarHBondContact O-CA 3.21Å; V214-N237 PolarHBondContact O-N 3.32Å; V214-L238 HydrophobicContact CB-CD2 4.41Å; V214-L238 HydrophobicContact CG1-CD2 3.75Å; V214-L238 HydrophobicContact CG1-CG 4.44Å; V214-L238 PolarHBondContact O-N 3.12Å
215	I	97.3	Very high	98.2	Very high	66 Å²	66	40.5 Å²	40.5	34%	0.338	20%	0.196	S	C	.	.			trans	-100.1	-33.5	178.9	-62.6	157.7	0	0	0	110.2	K191 Q213 N237	K191-I215 PolarHBondContact O-N 2.83Å; Q213-I215 WeakPolarHBondContact O-CG1 3.3Å; Q213-I215 PolarHBondContact O-N 3.48Å; I215-N237 HydrophobicContact CG1-CB 3.93Å
216	F	96.5	Very high	98.2	Very high	44 Å²	44	41 Å²	41	19%	0.193	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	138.7	-173.3	-176.8	-123.5	0	0	0	112.2	I192 V193 Q218 F320	I192-F216 WeakPolarHBondContact CA-O 3.47Å; I192-F216 HydrophobicContact CG2-CD1 4.47Å; V193-F216 PolarHBondContact N-O 3.06Å; F216-Q218 HydrophobicContact CD1-CG 4.18Å; F216-Q218 HydrophobicContact CE1-CB 4.45Å; F216-Q218 HydrophobicContact CE1-CG 3.65Å; F216-Q218 HydrophobicContact CZ-CG 4.41Å; F216-F320 HydrophobicContact CD2-CE2 4.04Å; F216-F320 HydrophobicContact CD2-CZ 4.06Å; F216-F320 HydrophobicContact CE1-CZ 4.43Å; F216-F320 AromaticContact CE2-CE2 3.89Å; F216-F320 HydrophobicContact CE2-CE2 3.89Å; F216-F320 AromaticContact CE2-CZ 3.42Å; F216-F320 HydrophobicContact CE2-CZ 3.42Å; F216-F320 VanDerWaalsContact CE2-CZ 3.42Å; F216-F320 HydrophobicContact CZ-CE1 4.45Å; F216-F320 HydrophobicContact CZ-CE2 4.36Å; F216-F320 AromaticContact CZ-CZ 3.63Å; F216-F320 HydrophobicContact CZ-CZ 3.63Å
217	V	98.3	Very high	98.2	Very high	6 Å²	6	42 Å²	42	4%	0.036	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.9	171.7	-178.9	0	0	0	0	107.3	V193 V214 A221 F222 L238 L241 T245	V193-V217 HydrophobicContact CB-CB 4.43Å; V193-V217 HydrophobicContact CB-CG1 4.18Å; V193-V217 HydrophobicContact CB-CG2 4.18Å; V193-V217 HydrophobicContact CG1-CG1 4.37Å; V193-V217 HydrophobicContact CG2-CG2 4.22Å; V214-V217 HydrophobicContact CG1-CG2 4.08Å; V217-A221 HydrophobicContact CG1-CB 3.67Å; V217-F222 HydrophobicContact CG1-CE1 4.4Å; V217-F222 HydrophobicContact CG1-CE2 3.98Å; V217-F222 HydrophobicContact CG1-CZ 3.83Å; V217-L238 HydrophobicContact CG2-CD2 3.95Å; V217-L241 HydrophobicContact CB-CD1 4.01Å; V217-L241 HydrophobicContact CG1-CD1 4.32Å; V217-L241 HydrophobicContact CG2-CD1 4.34Å; V217-T245 HydrophobicContact CG1-CG2 3.73Å
218	Q	97.6	Very high	98.2	Very high	60 Å²	60	42 Å²	42	28%	0.28	21%	0.211	S	C	.	.			trans	-70.7	152.9	-180	-69.7	-173.3	-26.8	0	0	111.7	V193 D195 F216 R220 A221	V193-Q218 PolarHBondContact O-N 3.05Å; D195-Q218 WeakPolarHBondContact OD1-CB 3.12Å; F216-Q218 HydrophobicContact CD1-CG 4.18Å; F216-Q218 HydrophobicContact CE1-CB 4.45Å; F216-Q218 HydrophobicContact CE1-CG 3.65Å; F216-Q218 HydrophobicContact CZ-CG 4.41Å; Q218-R220 VanDerWaalsContact C-N 3.25Å; Q218-R220 PolarHBondContact O-N 2.85Å; Q218-R220 VanDerWaalsContact O-N 3.08Å; Q218-A221 VanDerWaalsContact O-CB 3.25Å; Q218-A221 WeakPolarHBondContact O-CB 3.37Å; Q218-A221 PolarHBondContact O-N 3.37Å; Q218-A221 VanDerWaalsContact O-N 3.1Å
219	P	96.6	Very high	98.2	Very high	73 Å²	73	45 Å²	45	47%	0.474	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-32	-169.3	-29.5	37.1	0	0	0	115.7	T245	P219-T245 WeakPolarHBondContact CA-OG1 3.39Å; P219-T245 WeakPolarHBondContact O-CA 3.21Å; P219-T245 PolarHBondContact O-OG1 3.23Å
220	R	97.6	Very high	98.2	Very high	166 Å²	166	45 Å²	45	63%	0.626	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.7	9.5	-176.8	-59.5	176.8	-66.5	-156.7	0.3	113.3	D195 Q218 F222 S223	D195-R220 HydrophobicContact CB-CB 4.32Å; D195-R220 WeakPolarHBondContact OD1-CA 3.33Å; D195-R220 WeakPolarHBondContact OD1-CB 3.28Å; D195-R220 PolarHBondContact OD1-N 3.22Å; D195-R220 IonicContact OD2-CZ 3.76Å; D195-R220 IonicContact OD2-NE 3.46Å; D195-R220 PolarHBondContact OD2-NE 3.31Å; D195-R220 IonicContact OD2-NH2 3.66Å; D195-R220 PolarHBondContact OD2-NH2 2.82Å; Q218-R220 VanDerWaalsContact C-N 3.25Å; Q218-R220 PolarHBondContact O-N 2.85Å; Q218-R220 VanDerWaalsContact O-N 3.08Å; R220-F222 PolarHBondContact O-N 3.41Å; R220-S223 WeakPolarHBondContact O-CB 3.3Å; R220-S223 PolarHBondContact O-N 3.44Å; R220-S223 PolarHBondContact O-OG 3.38Å
221	A	98.3	Very high	98.2	Very high	3 Å²	3	44 Å²	44	3%	0.025	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-25.3	-177.8	0	0	0	0	0	114.7	V193 V217 Q218	V193-A221 HydrophobicContact CG1-CB 3.76Å; V217-A221 HydrophobicContact CG1-CB 3.67Å; Q218-A221 VanDerWaalsContact O-CB 3.25Å; Q218-A221 WeakPolarHBondContact O-CB 3.37Å; Q218-A221 PolarHBondContact O-N 3.37Å; Q218-A221 VanDerWaalsContact O-N 3.1Å
222	F	98.5	Very high	98.2	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	15.2	-178	-56.8	-32	0	0	0	114	V193 F198 L207 V217 R220 D224 L225 L231 L233 T245 M246 P248 L249	V193-F222 HydrophobicContact CG1-CE1 4.39Å; F198-F222 HydrophobicContact CD2-CD1 4.29Å; F198-F222 HydrophobicContact CD2-CE1 4.21Å; F198-F222 HydrophobicContact CE2-CE1 4.19Å; L207-F222 HydrophobicContact CD2-CE1 4.4Å; V217-F222 HydrophobicContact CG1-CE1 4.4Å; V217-F222 HydrophobicContact CG1-CE2 3.98Å; V217-F222 HydrophobicContact CG1-CZ 3.83Å; R220-F222 PolarHBondContact O-N 3.41Å; F222-D224 VanDerWaalsContact C-N 3.26Å; F222-D224 PolarHBondContact O-N 3.16Å; F222-L225 HydrophobicContact CB-CB 4.46Å; F222-L225 HydrophobicContact CB-CD1 4.08Å; F222-L225 HydrophobicContact CB-CG 4.42Å; F222-L225 HydrophobicContact CD1-CD1 3.53Å; F222-L225 HydrophobicContact CE1-CD1 4.35Å; F222-L225 HydrophobicContact CG-CD1 4.1Å; F222-L225 WeakPolarHBondContact O-CB 3.43Å; F222-L225 PolarHBondContact O-N 2.72Å; F222-L225 VanDerWaalsContact O-N 3.1Å; F222-L231 HydrophobicContact CD2-CD2 4.46Å; F222-L231 HydrophobicContact CE2-CD2 3.9Å; F222-L231 HydrophobicContact CZ-CD2 4.11Å; F222-L233 HydrophobicContact CZ-CD1 4.3Å; F222-T245 HydrophobicContact CD2-CG2 3.71Å; F222-T245 WeakPolarHBondContact CD2-O 3.26Å; F222-T245 HydrophobicContact CE2-CG2 3.94Å; F222-M246 HydrophobicContact CD2-SD 4.44Å; F222-M246 HydrophobicContact CE2-SD 4.36Å; F222-P248 WeakPolarHBondContact O-CB 3.48Å; F222-L249 HydrophobicContact CB-CD2 3.92Å; F222-L249 HydrophobicContact CB-CG 4.24Å; F222-L249 HydrophobicContact CD2-CD1 3.99Å; F222-L249 HydrophobicContact CG-CD1 4.49Å; F222-L249 HydrophobicContact CG-CD2 4.43Å
223	S	97.5	Very high	98.2	Very high	61 Å²	61	41.9 Å²	41.9	43%	0.427	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-38.9	-174.5	63.2	0	0	0	0	114.2	R220	R220-S223 WeakPolarHBondContact O-CB 3.3Å; R220-S223 PolarHBondContact O-N 3.44Å; R220-S223 PolarHBondContact O-OG 3.38Å
224	D	98.1	Very high	98.2	Very high	51 Å²	51	39.8 Å²	39.8	27%	0.273	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-6	-173.7	-67.4	8.6	0	0	0	112.4	R199 G200 I202 F222 G226	R199-D224 WeakPolarHBondContact CA-OD2 3.42Å; G200-D224 PolarHBondContact N-OD2 3.39Å; I202-D224 HydrophobicContact CG2-CB 4.33Å; F222-D224 VanDerWaalsContact C-N 3.26Å; F222-D224 PolarHBondContact O-N 3.16Å; D224-G226 PolarHBondContact O-N 3.29Å
225	L	98.6	Very high	98.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.221	C	C	.	.			trans	-86.9	35.2	-169.6	-58	-171.4	0	0	0	113.3	F198 V201 L204 L207 F222 K227 L228 L249	F198-L225 HydrophobicContact CB-CD1 4.39Å; F198-L225 HydrophobicContact CB-CD2 4.19Å; F198-L225 HydrophobicContact CD2-CD1 4.49Å; V201-L225 HydrophobicContact CG2-CD2 3.74Å; L204-L225 HydrophobicContact CB-CD2 4.2Å; L204-L225 HydrophobicContact CD2-CD2 3.95Å; L207-L225 HydrophobicContact CD2-CD1 3.94Å; F222-L225 HydrophobicContact CB-CB 4.46Å; F222-L225 HydrophobicContact CB-CD1 4.08Å; F222-L225 HydrophobicContact CB-CG 4.42Å; F222-L225 HydrophobicContact CD1-CD1 3.53Å; F222-L225 HydrophobicContact CE1-CD1 4.35Å; F222-L225 HydrophobicContact CG-CD1 4.1Å; F222-L225 WeakPolarHBondContact O-CB 3.43Å; F222-L225 PolarHBondContact O-N 2.72Å; F222-L225 VanDerWaalsContact O-N 3.1Å; L225-K227 PolarHBondContact O-N 3.01Å; L225-K227 VanDerWaalsContact O-N 3.17Å; L225-L228 HydrophobicContact CB-CB 4.1Å; L225-L228 HydrophobicContact CB-CD2 4.41Å; L225-L228 HydrophobicContact CD1-CD2 4.13Å; L225-L228 WeakPolarHBondContact O-CB 3.41Å; L225-L228 PolarHBondContact O-N 2.8Å; L225-L249 HydrophobicContact CB-CD2 3.58Å; L225-L249 HydrophobicContact CD1-CD2 4.5Å
226	G	98.3	Very high	98.3	Very high	24 Å²	24	42.3 Å²	42.3	25%	0.247	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.3	-175	0	0	0	0	0	115	D224 V250 S251	D224-G226 PolarHBondContact O-N 3.29Å; G226-V250 WeakPolarHBondContact O-CG2 3.19Å; G226-S251 WeakPolarHBondContact O-CB 3.44Å; G226-S251 PolarHBondContact O-N 3.33Å; G226-S251 PolarHBondContact O-OG 3.02Å
227	K	98.7	Very high	98.4	Very high	117 Å²	117	43.1 Å²	43.1	51%	0.509	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-2	176.8	-68.1	-172.7	-178.2	176.6	0	114.1	N203 L204 L225 K229	N203-K227 WeakPolarHBondContact OD1-CD 3.41Å; N203-K227 PolarHBondContact OD1-NZ 3.05Å; L204-K227 CarbonylContact O-C 3.58Å; L204-K227 VanDerWaalsContact O-C 3.25Å; L225-K227 PolarHBondContact O-N 3.01Å; L225-K227 VanDerWaalsContact O-N 3.17Å; K227-K229 PolarHBondContact O-N 3.45Å
228	L	98.9	Very high	98.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.211	C	C	.	.			trans	-65.2	124.4	-175.4	-166.4	76.7	0	0	0	110.8	L204 L207 L225 L231 L249 S251 L252	L204-L228 HydrophobicContact CB-CD1 4.22Å; L204-L228 HydrophobicContact CD2-CD1 3.95Å; L204-L228 HydrophobicContact CG-CD1 3.89Å; L204-L228 WeakPolarHBondContact O-CA 3.49Å; L204-L228 PolarHBondContact O-N 3.02Å; L204-L228 VanDerWaalsContact O-N 3.13Å; L207-L228 HydrophobicContact CB-CD1 3.81Å; L207-L228 HydrophobicContact CB-CD2 4.27Å; L225-L228 HydrophobicContact CB-CB 4.1Å; L225-L228 HydrophobicContact CB-CD2 4.41Å; L225-L228 HydrophobicContact CD1-CD2 4.13Å; L225-L228 WeakPolarHBondContact O-CB 3.41Å; L225-L228 PolarHBondContact O-N 2.8Å; L228-L231 HydrophobicContact CD2-CB 3.91Å; L228-L231 HydrophobicContact CD2-CD1 4.32Å; L228-L231 HydrophobicContact CD2-CG 4.5Å; L228-L249 HydrophobicContact CB-CD2 4.2Å; L228-L249 HydrophobicContact CD2-CD2 3.87Å; L228-S251 CarbonylContact O-C 3.13Å; L228-L252 HydrophobicContact CD2-CD1 4.29Å; L228-L252 HydrophobicContact CG-CD1 4.42Å; L228-L252 WeakPolarHBondContact O-CA 3.49Å; L228-L252 PolarHBondContact O-N 2.95Å; L228-L252 VanDerWaalsContact O-N 3.17Å
229	K	98.8	Very high	98.3	Very high	80 Å²	80	40.9 Å²	40.9	35%	0.348	20%	0.203	S	C	.	.			trans	-100.3	-33.7	177.3	-61.5	-167.9	-169.8	119.1	0	112.5	D205 K227 Q253 Y254	D205-K229 PolarHBondContact O-N 2.97Å; D205-K229 WeakPolarHBondContact OD1-CD 3.3Å; D205-K229 VanDerWaalsContact OD1-CE 3.31Å; D205-K229 WeakPolarHBondContact OD1-CE 3.34Å; D205-K229 WeakPolarHBondContact OD1-CG 3.27Å; D205-K229 IonicContact OD1-NZ 2.71Å; D205-K229 PolarHBondContact OD1-NZ 2.96Å; K227-K229 PolarHBondContact O-N 3.45Å; K229-Q253 HydrophobicContact CB-CG 4.47Å; K229-Q253 PolarHBondContact O-N 2.92Å; K229-Y254 PolarHBondContact O-N 3.35Å
230	S	98.9	Very high	98.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	121	-177.1	-53.2	0	0	0	0	111.9	D205 R206 L207 Y254	D205-S230 PolarHBondContact O-N 3.26Å; R206-S230 WeakPolarHBondContact CA-O 3.3Å; R206-S230 PolarHBondContact NH1-OG 3.08Å; L207-S230 PolarHBondContact N-O 3.48Å; S230-Y254 WeakPolarHBondContact CA-O 3.4Å
231	L	98.9	Very high	98.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	114.9	174.7	178	57.8	0	0	0	110.6	L207 F222 L228 L233 M246 L249 L252 Y254 L255 R256	L207-L231 HydrophobicContact CB-CD1 4.11Å; L207-L231 HydrophobicContact CD2-CD1 3.93Å; L207-L231 HydrophobicContact CG-CD1 4.03Å; F222-L231 HydrophobicContact CD2-CD2 4.46Å; F222-L231 HydrophobicContact CE2-CD2 3.9Å; F222-L231 HydrophobicContact CZ-CD2 4.11Å; L228-L231 HydrophobicContact CD2-CB 3.91Å; L228-L231 HydrophobicContact CD2-CD1 4.32Å; L228-L231 HydrophobicContact CD2-CG 4.5Å; L231-L233 HydrophobicContact CD1-CD1 4.18Å; L231-L233 HydrophobicContact CD1-CG 4.1Å; L231-L233 HydrophobicContact CD2-CD1 3.9Å; L231-L233 HydrophobicContact CG-CD1 4.01Å; L231-L233 HydrophobicContact CG-CG 4.22Å; L231-M246 HydrophobicContact CD2-CE 4.49Å; L231-L249 HydrophobicContact CD2-CD1 3.79Å; L231-L252 HydrophobicContact CB-CD1 3.87Å; L231-Y254 PolarHBondContact N-O 2.75Å; L231-L255 HydrophobicContact CB-CD1 4.08Å; L231-L255 HydrophobicContact CD2-CD1 4.06Å; L231-L255 HydrophobicContact CG-CD1 4.11Å; L231-L255 WeakPolarHBondContact O-CA 3.25Å; L231-R256 PolarHBondContact O-N 3.06Å
232	F	98.9	Very high	98.1	Very high	50 Å²	50	33 Å²	33	22%	0.219	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	112.4	179.1	-70.7	7.6	0	0	0	110.4	L207 L208 L209 H210 F234 R256	L207-F232 PolarHBondContact O-N 2.85Å; L208-F232 HydrophobicContact CD2-CB 3.99Å; L208-F232 HydrophobicContact CD2-CD1 4.48Å; L208-F232 HydrophobicContact CD2-CD2 3.52Å; L208-F232 HydrophobicContact CD2-CE2 4.07Å; L208-F232 HydrophobicContact CD2-CG 3.76Å; L209-F232 CarbonylContact C-O 3.52Å; L209-F232 VanDerWaalsContact C-O 3.32Å; L209-F232 WeakPolarHBondContact CA-O 3.01Å; L209-F232 WeakPolarHBondContact CB-O 3.02Å; L209-F232 PolarHBondContact N-O 3.06Å; H210-F232 HydrophobicContact CB-CB 4.32Å; H210-F232 PolarHBondContact N-O 3.08Å; H210-F232 AromaticContact ND1-CD2 3.89Å; F232-F234 HydrophobicContact CB-CD1 3.93Å; F232-F234 HydrophobicContact CB-CE1 3.87Å; F232-F234 HydrophobicContact CD2-CD1 4.41Å; F232-F234 AromaticContact CD2-CE1 3.67Å; F232-F234 HydrophobicContact CD2-CE1 3.67Å; F232-F234 HydrophobicContact CE2-CE1 4.48Å; F232-F234 HydrophobicContact CG-CD1 4.25Å; F232-F234 AromaticContact CG-CE1 3.95Å; F232-F234 HydrophobicContact CG-CE1 3.95Å; F232-R256 HydrophobicContact CB-CB 4.48Å; F232-R256 HydrophobicContact CD1-CB 3.84Å; F232-R256 HydrophobicContact CD1-CG 3.57Å; F232-R256 HydrophobicContact CE1-CB 4.38Å; F232-R256 HydrophobicContact CE1-CG 3.59Å; F232-R256 HydrophobicContact CG-CB 4.2Å; F232-R256 HydrophobicContact CG-CG 4.19Å; F232-R256 HydrophobicContact CZ-CG 4.19Å
233	L	98.8	Very high	98.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.			trans	-124.6	11.9	177	-72.5	163.5	0	0	0	112.1	L209 F222 L231 N236 L238 R256 L257 N260	L209-L233 HydrophobicContact CB-CD2 3.7Å; L209-L233 HydrophobicContact CD1-CD2 3.87Å; L209-L233 HydrophobicContact CG-CD2 4.46Å; F222-L233 HydrophobicContact CZ-CD1 4.3Å; L231-L233 HydrophobicContact CD1-CD1 4.18Å; L231-L233 HydrophobicContact CD1-CG 4.1Å; L231-L233 HydrophobicContact CD2-CD1 3.9Å; L231-L233 HydrophobicContact CG-CD1 4.01Å; L231-L233 HydrophobicContact CG-CG 4.22Å; L233-N236 PolarHBondContact O-ND2 3.34Å; L233-L238 HydrophobicContact CB-CD1 4.16Å; L233-L238 HydrophobicContact CD1-CD1 4.39Å; L233-R256 CarbonylContact C-O 3.25Å; L233-R256 PolarHBondContact N-O 2.78Å; L233-L257 HydrophobicContact CB-CD2 3.74Å; L233-L257 HydrophobicContact CD1-CD2 3.97Å; L233-L257 HydrophobicContact CG-CD2 4.48Å; L233-N260 PolarHBondContact O-ND2 3.42Å
234	F	98.8	Very high	98	Very high	32 Å²	32	35.1 Å²	35.1	14%	0.14	18%	0.176	C	C	.	.			trans	-66.3	156.2	179.7	71.1	-86.5	0	0	0	112.3	H210 Q211 F232 R256 N258	H210-F234 WeakPolarHBondContact CA-O 3.47Å; H210-F234 HydrophobicContact CB-CD1 3.39Å; H210-F234 HydrophobicContact CB-CD2 4.07Å; H210-F234 HydrophobicContact CB-CE1 3.24Å; H210-F234 HydrophobicContact CB-CE2 3.93Å; H210-F234 HydrophobicContact CB-CG 3.81Å; H210-F234 HydrophobicContact CB-CZ 3.52Å; H210-F234 WeakPolarHBondContact CB-O 3.38Å; H210-F234 AromaticContact CD2-CE1 3.8Å; H210-F234 AromaticContact CD2-CE2 3.98Å; H210-F234 AromaticContact CD2-CZ 3.33Å; H210-F234 WeakPolarHBondContact CD2-CZ 3.38Å; H210-F234 AromaticContact CG-CD1 4Å; H210-F234 AromaticContact CG-CE1 3.3Å; H210-F234 AromaticContact CG-CZ 3.35Å; H210-F234 AromaticContact ND1-CE1 3.64Å; H210-F234 AromaticContact ND1-CZ 3.96Å; H210-F234 AromaticContact NE2-CZ 3.94Å; Q211-F234 PolarHBondContact N-O 3.07Å; Q211-F234 VanDerWaalsContact N-O 3.11Å; F232-F234 HydrophobicContact CB-CD1 3.93Å; F232-F234 HydrophobicContact CB-CE1 3.87Å; F232-F234 HydrophobicContact CD2-CD1 4.41Å; F232-F234 AromaticContact CD2-CE1 3.67Å; F232-F234 HydrophobicContact CD2-CE1 3.67Å; F232-F234 HydrophobicContact CE2-CE1 4.48Å; F232-F234 HydrophobicContact CG-CD1 4.25Å; F232-F234 AromaticContact CG-CE1 3.95Å; F232-F234 HydrophobicContact CG-CE1 3.95Å; F234-R256 HydrophobicContact CB-CB 4.17Å; F234-R256 HydrophobicContact CD1-CB 3.54Å; F234-R256 HydrophobicContact CD1-CG 4.35Å; F234-R256 HydrophobicContact CE1-CB 4.36Å; F234-R256 HydrophobicContact CG-CB 4.2Å; F234-R256 PolarHBondContact N-O 2.61Å; F234-R256 VanDerWaalsContact N-O 3.1Å; F234-N258 CarbonylContact C-O 3.53Å; F234-N258 WeakPolarHBondContact CA-O 3.48Å; F234-N258 WeakPolarHBondContact CB-O 3.29Å; F234-N258 WeakPolarHBondContact CB-OD1 3.24Å
235	F	98.6	Very high	98	Very high	111 Å²	111	32.9 Å²	32.9	49%	0.487	16%	0.164	S	C	.	.	S	Bend	trans	51.3	59.1	-172.8	-59.6	-51.8	0	0	0	112.5	Q211 N258 G259	Q211-F235 WeakPolarHBondContact CA-O 3.35Å; Q211-F235 HydrophobicContact CG-CB 4.05Å; Q211-F235 HydrophobicContact CG-CD2 4.31Å; Q211-F235 PolarHBondContact N-O 2.8Å; Q211-F235 VanDerWaalsContact N-O 3.13Å; F235-N258 PolarHBondContact N-O 2.81Å; F235-G259 VanDerWaalsContact CA-O 3.24Å; F235-G259 WeakPolarHBondContact CA-O 3.4Å; F235-G259 PolarHBondContact N-O 3.27Å
236	N	98.8	Very high	97.9	Very high	8 Å²	8	32.8 Å²	32.8	4%	0.043	16%	0.164	C	C	.	.	S	Bend	trans	-128	-168.6	171.2	-87.6	-75.5	0	0	0	109	L209 N212 Q213 V214 L233 L238 G259 N260	L209-N236 PolarHBondContact O-ND2 3.17Å; N212-N236 VanDerWaalsContact CA-OD1 3.25Å; N212-N236 WeakPolarHBondContact CA-OD1 3.3Å; N212-N236 WeakPolarHBondContact CB-OD1 3.13Å; N212-N236 PolarHBondContact N-OD1 3.36Å; N212-N236 PolarHBondContact O-OD1 3.48Å; Q213-N236 PolarHBondContact N-OD1 3.27Å; V214-N236 HydrophobicContact CB-CB 4.25Å; V214-N236 WeakPolarHBondContact CB-OD1 3.38Å; V214-N236 WeakPolarHBondContact CG2-OD1 3.3Å; V214-N236 PolarHBondContact N-OD1 3.25Å; L233-N236 PolarHBondContact O-ND2 3.34Å; N236-L238 HydrophobicContact CB-CG 4.42Å; N236-G259 PolarHBondContact N-O 3.33Å; N236-N260 VanDerWaalsContact CA-OD1 3.3Å; N236-N260 WeakPolarHBondContact CA-OD1 3.25Å; N236-N260 WeakPolarHBondContact CB-OD1 3Å; N236-N260 PolarHBondContact N-OD1 3.2Å; N236-N260 PolarHBondContact O-OD1 3.25Å
237	N	98.1	Very high	97.9	Very high	60 Å²	60	35.3 Å²	35.3	32%	0.321	17%	0.172	S	C	.	.			trans	-112.9	29.4	179.3	-65.3	95	0	0	0	111.9	V214 I215 T239 N260	V214-N237 CarbonylContact O-C 3.57Å; V214-N237 WeakPolarHBondContact O-CA 3.21Å; V214-N237 PolarHBondContact O-N 3.32Å; I215-N237 HydrophobicContact CG1-CB 3.93Å; N237-T239 PolarHBondContact O-N 3.4Å; N237-N260 PolarHBondContact N-OD1 3.31Å
238	L	97.9	Very high	97.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.			trans	-68.8	134.9	-179.3	-66.7	168.9	0	0	0	109.8	V214 V217 L233 N236 N260 Q261 W262	V214-L238 HydrophobicContact CB-CD2 4.41Å; V214-L238 HydrophobicContact CG1-CD2 3.75Å; V214-L238 HydrophobicContact CG1-CG 4.44Å; V214-L238 PolarHBondContact O-N 3.12Å; V217-L238 HydrophobicContact CG2-CD2 3.95Å; L233-L238 HydrophobicContact CB-CD1 4.16Å; L233-L238 HydrophobicContact CD1-CD1 4.39Å; N236-L238 HydrophobicContact CB-CG 4.42Å; L238-N260 HydrophobicContact CB-CB 4.16Å; L238-N260 VanDerWaalsContact CB-OD1 3.32Å; L238-N260 WeakPolarHBondContact CB-OD1 3.38Å; L238-N260 PolarHBondContact N-OD1 3.18Å; L238-Q261 CarbonylContact O-C 3.58Å; L238-Q261 WeakPolarHBondContact O-CA 3.21Å; L238-Q261 PolarHBondContact O-N 3.3Å; L238-W262 HydrophobicContact CB-CH2 3.66Å; L238-W262 HydrophobicContact CB-CZ2 4.21Å; L238-W262 HydrophobicContact CB-CZ3 3.91Å; L238-W262 HydrophobicContact CD1-CH2 3.86Å; L238-W262 HydrophobicContact CD1-CZ2 4.36Å; L238-W262 HydrophobicContact CG-CH2 4.39Å
239	T	96.1	Very high	97.9	Very high	19 Å²	19	32 Å²	32	12%	0.117	16%	0.161	C	C	.	.			trans	-108.8	-35.8	174.5	54.9	0	0	0	0	111.9	N237 Q261 I263	N237-T239 PolarHBondContact O-N 3.4Å; T239-Q261 WeakPolarHBondContact CA-O 3.25Å; T239-Q261 HydrophobicContact CG2-CB 4.34Å; T239-I263 HydrophobicContact CG2-CD1 4.37Å; T239-I263 PolarHBondContact O-N 3.28Å
240	V	95.6	Very high	97.9	Very high	32 Å²	32	33.8 Å²	33.8	19%	0.194	18%	0.179	C	C	.	.			trans	-141	141.1	-179.7	-179.1	0	0	0	0	109	T242 R267	V240-T242 HydrophobicContact CG1-CG2 4.4Å; V240-R267 HydrophobicContact CG1-CB 4.09Å; V240-R267 HydrophobicContact CG2-CB 4.11Å
241	L	97.2	Very high	97.8	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.026	20%	0.195	C	C	.	.			trans	-139.2	142.1	167	-177.2	65.4	0	0	0	105.6	V217 T245 M246 L257 W262 L271	V217-L241 HydrophobicContact CB-CD1 4.01Å; V217-L241 HydrophobicContact CG1-CD1 4.32Å; V217-L241 HydrophobicContact CG2-CD1 4.34Å; L241-T245 HydrophobicContact CD1-CG2 3.79Å; L241-M246 HydrophobicContact CD2-CG 4.15Å; L241-M246 HydrophobicContact CD2-SD 3.63Å; L241-M246 HydrophobicContact CG-CG 4.29Å; L241-M246 HydrophobicContact CG-SD 4.25Å; L241-L257 HydrophobicContact CD2-CD1 4.44Å; L241-L257 HydrophobicContact CD2-CD2 4.4Å; L241-W262 HydrophobicContact CB-CH2 3.99Å; L241-W262 HydrophobicContact CB-CZ3 3.81Å; L241-L271 HydrophobicContact CB-CD2 4.16Å; L241-L271 VanDerWaalsContact O-CB 3.28Å; L241-L271 WeakPolarHBondContact O-CB 2.99Å
242	T	96.7	Very high	97.8	Very high	40 Å²	40	36.7 Å²	36.7	25%	0.245	20%	0.198	C	C	.	.			trans	-107.8	158.5	-173.5	81.6	0	0	0	0	111.6	V240 E244 T245 M246 T270	V240-T242 HydrophobicContact CG1-CG2 4.4Å; T242-E244 VanDerWaalsContact C-N 3.26Å; T242-E244 WeakPolarHBondContact CB-OE2 3.19Å; T242-E244 PolarHBondContact O-N 3.08Å; T242-E244 PolarHBondContact OG1-OE2 2.9Å; T242-T245 PolarHBondContact O-N 2.04Å; T242-T245 PolarHBondContact OG1-OG1 2.89Å; T242-M246 WeakPolarHBondContact O-CG 3.35Å; T242-T270 WeakPolarHBondContact CB-OG1 3.44Å
243	G	97	Very high	97.8	Very high	3 Å²	3	38.5 Å²	38.5	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-36.9	175.7	0	0	0	0	0	112.6	T245 M246 D247 T270	G243-T245 VanDerWaalsContact C-N 3.31Å; G243-T245 PolarHBondContact O-N 2.81Å; G243-M246 CarbonylContact O-C 3.13Å; G243-M246 WeakPolarHBondContact O-CA 3.07Å; G243-M246 PolarHBondContact O-N 2.85Å; G243-D247 PolarHBondContact O-N 2.8Å; G243-T270 PolarHBondContact N-OG1 3.22Å
244	E	96.3	Very high	97.8	Very high	104 Å²	104	43.7 Å²	43.7	49%	0.486	23%	0.228	S	C	.	.	H	α-helix	trans	-62.5	-37.3	179.9	-57.6	81.7	179	0	0	112.1	T242 M246 P248	T242-E244 VanDerWaalsContact C-N 3.26Å; T242-E244 WeakPolarHBondContact CB-OE2 3.19Å; T242-E244 PolarHBondContact O-N 3.08Å; T242-E244 PolarHBondContact OG1-OE2 2.9Å; E244-M246 PolarHBondContact O-N 3.47Å; E244-P248 WeakPolarHBondContact O-CD 3.38Å
245	T	97.4	Very high	97.8	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-28.4	174	-56.2	0	0	0	0	112.2	V217 P219 F222 L241 T242 G243	V217-T245 HydrophobicContact CG1-CG2 3.73Å; P219-T245 WeakPolarHBondContact CA-OG1 3.39Å; P219-T245 WeakPolarHBondContact O-CA 3.21Å; P219-T245 PolarHBondContact O-OG1 3.23Å; F222-T245 HydrophobicContact CD2-CG2 3.71Å; F222-T245 WeakPolarHBondContact CD2-O 3.26Å; F222-T245 HydrophobicContact CE2-CG2 3.94Å; L241-T245 HydrophobicContact CD1-CG2 3.79Å; T242-T245 PolarHBondContact O-N 2.04Å; T242-T245 PolarHBondContact OG1-OG1 2.89Å; G243-T245 VanDerWaalsContact C-N 3.31Å; G243-T245 PolarHBondContact O-N 2.81Å
246	M	98.3	Very high	97.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-95.2	-21.3	-175.1	-61.2	-63.4	-69.2	0	0	113.5	F222 L231 L241 T242 G243 E244 P248 L249 L252 L255 L271 W274	F222-M246 HydrophobicContact CD2-SD 4.44Å; F222-M246 HydrophobicContact CE2-SD 4.36Å; L231-M246 HydrophobicContact CD2-CE 4.49Å; L241-M246 HydrophobicContact CD2-CG 4.15Å; L241-M246 HydrophobicContact CD2-SD 3.63Å; L241-M246 HydrophobicContact CG-CG 4.29Å; L241-M246 HydrophobicContact CG-SD 4.25Å; T242-M246 WeakPolarHBondContact O-CG 3.35Å; G243-M246 CarbonylContact O-C 3.13Å; G243-M246 WeakPolarHBondContact O-CA 3.07Å; G243-M246 PolarHBondContact O-N 2.85Å; E244-M246 PolarHBondContact O-N 3.47Å; M246-P248 VanDerWaalsContact C-CD 3.45Å; M246-L249 HydrophobicContact CE-CD1 3.85Å; M246-L249 WeakPolarHBondContact O-CB 3.43Å; M246-L249 PolarHBondContact O-N 3.2Å; M246-L249 VanDerWaalsContact O-N 3.1Å; M246-L249 HydrophobicContact SD-CD1 3.96Å; M246-L252 HydrophobicContact CE-CD2 4.14Å; M246-L255 HydrophobicContact CE-CD1 4.01Å; M246-L255 HydrophobicContact CE-CD2 3.57Å; M246-L255 HydrophobicContact CE-CG 4.45Å; M246-L271 HydrophobicContact CG-CD1 4.04Å; M246-W274 HydrophobicContact CB-CD2 3.84Å; M246-W274 VanDerWaalsContact CB-CE2 3.49Å; M246-W274 HydrophobicContact CB-CG 4.04Å; M246-W274 HydrophobicContact CB-CZ2 3.94Å; M246-W274 HydrophobicContact CE-CH2 3.75Å; M246-W274 HydrophobicContact CE-CZ2 3.98Å; M246-W274 HydrophobicContact CE-CZ3 4.15Å; M246-W274 PolarHBondContact O-NE1 3.37Å
247	D	97.9	Very high	97.8	Very high	77 Å²	77	42.3 Å²	42.3	41%	0.412	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-38	-178.8	-79.8	-26.6	0	0	0	114.3	G243 L249 R277	G243-D247 PolarHBondContact O-N 2.8Å; D247-L249 PolarHBondContact O-N 3.02Å; D247-R277 IonicContact OD1-CZ 3.92Å; D247-R277 IonicContact OD1-NH2 2.93Å; D247-R277 PolarHBondContact OD1-NH2 2.8Å
248	P	98.3	Very high	97.8	Very high	40 Å²	40	41.3 Å²	41.3	26%	0.26	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.3	177	-25.5	35.8	0	0	0	114.8	F222 E244 M246 V250	F222-P248 WeakPolarHBondContact O-CB 3.48Å; E244-P248 WeakPolarHBondContact O-CD 3.38Å; M246-P248 VanDerWaalsContact C-CD 3.45Å; P248-V250 PolarHBondContact O-N 3.27Å
249	L	98.5	Very high	97.8	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.037	23%	0.233	C	C	.	.			trans	-79.7	55.2	-174.5	-58.6	179.1	0	0	0	112.4	F222 L225 L228 L231 M246 D247 S251 L252	F222-L249 HydrophobicContact CB-CD2 3.92Å; F222-L249 HydrophobicContact CB-CG 4.24Å; F222-L249 HydrophobicContact CD2-CD1 3.99Å; F222-L249 HydrophobicContact CG-CD1 4.49Å; F222-L249 HydrophobicContact CG-CD2 4.43Å; L225-L249 HydrophobicContact CB-CD2 3.58Å; L225-L249 HydrophobicContact CD1-CD2 4.5Å; L228-L249 HydrophobicContact CB-CD2 4.2Å; L228-L249 HydrophobicContact CD2-CD2 3.87Å; L231-L249 HydrophobicContact CD2-CD1 3.79Å; M246-L249 HydrophobicContact CE-CD1 3.85Å; M246-L249 WeakPolarHBondContact O-CB 3.43Å; M246-L249 PolarHBondContact O-N 3.2Å; M246-L249 VanDerWaalsContact O-N 3.1Å; M246-L249 HydrophobicContact SD-CD1 3.96Å; D247-L249 PolarHBondContact O-N 3.02Å; L249-S251 VanDerWaalsContact C-N 3.27Å; L249-S251 PolarHBondContact O-N 3.41Å; L249-L252 HydrophobicContact CB-CB 4.06Å; L249-L252 HydrophobicContact CB-CD2 4.3Å; L249-L252 HydrophobicContact CD1-CD2 4.09Å; L249-L252 VanDerWaalsContact O-CB 3.23Å; L249-L252 WeakPolarHBondContact O-CB 3.35Å; L249-L252 PolarHBondContact O-N 3.43Å; L249-L252 VanDerWaalsContact O-N 3.16Å
250	V	97.9	Very high	97.9	Very high	118 Å²	118	43.1 Å²	43.1	72%	0.715	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.2	-171.3	-61.7	0	0	0	0	114.5	G226 P248	G226-V250 WeakPolarHBondContact O-CG2 3.19Å; P248-V250 PolarHBondContact O-N 3.27Å
251	S	98.5	Very high	98	Very high	49 Å²	49	45.4 Å²	45.4	34%	0.343	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	5.8	179.1	-57.1	0	0	0	0	113.8	G226 L228 L249 Q253	G226-S251 WeakPolarHBondContact O-CB 3.44Å; G226-S251 PolarHBondContact O-N 3.33Å; G226-S251 PolarHBondContact O-OG 3.02Å; L228-S251 CarbonylContact O-C 3.13Å; L249-S251 VanDerWaalsContact C-N 3.27Å; L249-S251 PolarHBondContact O-N 3.41Å; S251-Q253 PolarHBondContact O-N 2.64Å
252	L	98.8	Very high	98	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.068	24%	0.24	C	C	.	.			trans	-67.1	132	-170.9	-164.8	73.2	0	0	0	111.9	L228 L231 M246 L249 L255 W274 F278	L228-L252 HydrophobicContact CD2-CD1 4.29Å; L228-L252 HydrophobicContact CG-CD1 4.42Å; L228-L252 WeakPolarHBondContact O-CA 3.49Å; L228-L252 PolarHBondContact O-N 2.95Å; L228-L252 VanDerWaalsContact O-N 3.17Å; L231-L252 HydrophobicContact CB-CD1 3.87Å; M246-L252 HydrophobicContact CE-CD2 4.14Å; L249-L252 HydrophobicContact CB-CB 4.06Å; L249-L252 HydrophobicContact CB-CD2 4.3Å; L249-L252 HydrophobicContact CD1-CD2 4.09Å; L249-L252 VanDerWaalsContact O-CB 3.23Å; L249-L252 WeakPolarHBondContact O-CB 3.35Å; L249-L252 PolarHBondContact O-N 3.43Å; L249-L252 VanDerWaalsContact O-N 3.16Å; L252-L255 HydrophobicContact CD2-CB 4.12Å; L252-L255 HydrophobicContact CD2-CD1 4.39Å; L252-L255 HydrophobicContact CD2-CD2 4.31Å; L252-W274 HydrophobicContact CD2-CH2 4.05Å; L252-W274 HydrophobicContact CD2-CZ2 4.34Å; L252-F278 HydrophobicContact CB-CE2 4.06Å; L252-F278 HydrophobicContact CD2-CE2 4.06Å; L252-F278 HydrophobicContact CD2-CZ 4.23Å; L252-F278 HydrophobicContact CG-CE2 4.19Å; L252-F278 HydrophobicContact CG-CZ 4.35Å; L252-F278 WeakPolarHBondContact O-CE2 3.27Å
253	Q	98.6	Very high	98	Very high	88 Å²	88	43.7 Å²	43.7	41%	0.411	23%	0.229	S	C	.	.			trans	-119.5	-35.3	-178.1	-64.7	177.2	3.2	0	0	112	K229 S251 G280 S281	K229-Q253 HydrophobicContact CB-CG 4.47Å; K229-Q253 PolarHBondContact O-N 2.92Å; S251-Q253 PolarHBondContact O-N 2.64Å; Q253-G280 CarbonylContact O-C 3.55Å; Q253-G280 WeakPolarHBondContact O-CA 3.13Å; Q253-S281 PolarHBondContact O-N 2.82Å
254	Y	98.8	Very high	98	Very high	109 Å²	109	43.6 Å²	43.6	43%	0.427	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	118.3	-175.4	-58.7	-79.1	0	0	0	110.6	K229 S230 L231 S281	K229-Y254 PolarHBondContact O-N 3.35Å; S230-Y254 WeakPolarHBondContact CA-O 3.4Å; L231-Y254 PolarHBondContact N-O 2.75Å; Y254-S281 WeakPolarHBondContact CA-O 3.34Å
255	L	98.8	Very high	97.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.6	179.9	179	58.2	0	0	0	110.3	L231 M246 L252 L257 W274 F275 F278 S281 S282 S283	L231-L255 HydrophobicContact CB-CD1 4.08Å; L231-L255 HydrophobicContact CD2-CD1 4.06Å; L231-L255 HydrophobicContact CG-CD1 4.11Å; L231-L255 WeakPolarHBondContact O-CA 3.25Å; M246-L255 HydrophobicContact CE-CD1 4.01Å; M246-L255 HydrophobicContact CE-CD2 3.57Å; M246-L255 HydrophobicContact CE-CG 4.45Å; L252-L255 HydrophobicContact CD2-CB 4.12Å; L252-L255 HydrophobicContact CD2-CD1 4.39Å; L252-L255 HydrophobicContact CD2-CD2 4.31Å; L255-L257 HydrophobicContact CD1-CD1 4.25Å; L255-L257 HydrophobicContact CD1-CD2 4.02Å; L255-L257 HydrophobicContact CD1-CG 3.89Å; L255-L257 HydrophobicContact CD2-CD1 3.89Å; L255-L257 HydrophobicContact CD2-CG 4.32Å; L255-L257 HydrophobicContact CG-CD1 4.05Å; L255-L257 HydrophobicContact CG-CG 3.91Å; L255-W274 HydrophobicContact CD2-CH2 3.82Å; L255-W274 HydrophobicContact CD2-CZ3 3.75Å; L255-F275 HydrophobicContact CD2-CE1 3.99Å; L255-F275 HydrophobicContact CD2-CZ 3.85Å; L255-F278 HydrophobicContact CB-CE1 4.45Å; L255-F278 HydrophobicContact CB-CZ 4.4Å; L255-S281 PolarHBondContact N-O 3.31Å; L255-S282 CarbonylContact O-C 3.16Å; L255-S282 WeakPolarHBondContact O-CA 3.29Å; L255-S283 PolarHBondContact O-N 3.02Å
256	R	98.8	Very high	97.8	Very high	120 Å²	120	40.5 Å²	40.5	45%	0.453	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	117	176.5	-63.1	-67	-170.8	160	-1.9	109.7	L231 F232 L233 F234	L231-R256 PolarHBondContact O-N 3.06Å; F232-R256 HydrophobicContact CB-CB 4.48Å; F232-R256 HydrophobicContact CD1-CB 3.84Å; F232-R256 HydrophobicContact CD1-CG 3.57Å; F232-R256 HydrophobicContact CE1-CB 4.38Å; F232-R256 HydrophobicContact CE1-CG 3.59Å; F232-R256 HydrophobicContact CG-CB 4.2Å; F232-R256 HydrophobicContact CG-CG 4.19Å; F232-R256 HydrophobicContact CZ-CG 4.19Å; L233-R256 CarbonylContact C-O 3.25Å; L233-R256 PolarHBondContact N-O 2.78Å; F234-R256 HydrophobicContact CB-CB 4.17Å; F234-R256 HydrophobicContact CD1-CB 3.54Å; F234-R256 HydrophobicContact CD1-CG 4.35Å; F234-R256 HydrophobicContact CE1-CB 4.36Å; F234-R256 HydrophobicContact CG-CB 4.2Å; F234-R256 PolarHBondContact N-O 2.61Å; F234-R256 VanDerWaalsContact N-O 3.1Å
257	L	98.5	Very high	97.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.			trans	-130.2	-0.9	-174.3	-70.8	-176.8	0	0	0	113.6	L233 L241 L255 N260 W262 F275 S283 L285	L233-L257 HydrophobicContact CB-CD2 3.74Å; L233-L257 HydrophobicContact CD1-CD2 3.97Å; L233-L257 HydrophobicContact CG-CD2 4.48Å; L241-L257 HydrophobicContact CD2-CD1 4.44Å; L241-L257 HydrophobicContact CD2-CD2 4.4Å; L255-L257 HydrophobicContact CD1-CD1 4.25Å; L255-L257 HydrophobicContact CD1-CD2 4.02Å; L255-L257 HydrophobicContact CD1-CG 3.89Å; L255-L257 HydrophobicContact CD2-CD1 3.89Å; L255-L257 HydrophobicContact CD2-CG 4.32Å; L255-L257 HydrophobicContact CG-CD1 4.05Å; L255-L257 HydrophobicContact CG-CG 3.91Å; L257-N260 PolarHBondContact O-ND2 3.02Å; L257-W262 HydrophobicContact CB-CZ2 3.84Å; L257-W262 HydrophobicContact CD1-CZ2 4.22Å; L257-W262 HydrophobicContact CD2-CH2 4.35Å; L257-W262 HydrophobicContact CD2-CZ2 4.05Å; L257-W262 HydrophobicContact CG-CZ2 4.23Å; L257-W262 PolarHBondContact O-NE1 3.24Å; L257-F275 HydrophobicContact CD1-CE2 4.44Å; L257-F275 HydrophobicContact CD1-CZ 3.98Å; L257-S283 PolarHBondContact N-OG 3.27Å; L257-L285 HydrophobicContact CB-CD1 3.81Å; L257-L285 HydrophobicContact CB-CD2 4.38Å; L257-L285 HydrophobicContact CB-CG 3.89Å; L257-L285 HydrophobicContact CD1-CD1 4.06Å; L257-L285 HydrophobicContact CD1-CD2 3.78Å; L257-L285 HydrophobicContact CD1-CG 4.16Å; L257-L285 HydrophobicContact CG-CD1 4.49Å
258	N	98.4	Very high	97.6	Very high	40 Å²	40	41.1 Å²	41.1	21%	0.214	21%	0.214	C	C	.	.			trans	-62.6	159.3	-179.9	61	-79.8	0	0	0	112.6	F234 F235 S283 E284	F234-N258 CarbonylContact C-O 3.53Å; F234-N258 WeakPolarHBondContact CA-O 3.48Å; F234-N258 WeakPolarHBondContact CB-O 3.29Å; F234-N258 WeakPolarHBondContact CB-OD1 3.24Å; F235-N258 PolarHBondContact N-O 2.81Å; N258-S283 PolarHBondContact N-OG 2.99Å; N258-S283 VanDerWaalsContact OD1-CB 3.26Å; N258-S283 WeakPolarHBondContact OD1-CB 3.26Å; N258-S283 PolarHBondContact OD1-OG 3.15Å; N258-E284 WeakPolarHBondContact CA-O 3.39Å; N258-E284 WeakPolarHBondContact CB-O 3.49Å
259	G	97.8	Very high	97.5	Very high	41 Å²	41	44 Å²	44	42%	0.423	22%	0.22	S	C	.	.	S	Bend	trans	66.1	36.3	-179.7	0	0	0	0	0	113.7	F235 N236	F235-G259 VanDerWaalsContact CA-O 3.24Å; F235-G259 WeakPolarHBondContact CA-O 3.4Å; F235-G259 PolarHBondContact N-O 3.27Å; N236-G259 PolarHBondContact N-O 3.33Å
260	N	98.5	Very high	97.4	Very high	15 Å²	15	45.9 Å²	45.9	8%	0.08	23%	0.232	C	C	.	.	S	Bend	trans	-117.1	171.9	169.2	-80.4	-73.7	0	0	0	109	L233 N236 N237 L238 L257 W262	L233-N260 PolarHBondContact O-ND2 3.42Å; N236-N260 VanDerWaalsContact CA-OD1 3.3Å; N236-N260 WeakPolarHBondContact CA-OD1 3.25Å; N236-N260 WeakPolarHBondContact CB-OD1 3Å; N236-N260 PolarHBondContact N-OD1 3.2Å; N236-N260 PolarHBondContact O-OD1 3.25Å; N237-N260 PolarHBondContact N-OD1 3.31Å; L238-N260 HydrophobicContact CB-CB 4.16Å; L238-N260 VanDerWaalsContact CB-OD1 3.32Å; L238-N260 WeakPolarHBondContact CB-OD1 3.38Å; L238-N260 PolarHBondContact N-OD1 3.18Å; L257-N260 PolarHBondContact O-ND2 3.02Å; N260-W262 HydrophobicContact CB-CD2 4.21Å; N260-W262 HydrophobicContact CB-CG 4.47Å; N260-W262 HydrophobicContact CB-CZ2 3.79Å; N260-W262 PolarHBondContact O-N 2.87Å
261	Q	96.6	Very high	97.4	Very high	81 Å²	81	40.3 Å²	40.3	38%	0.379	20%	0.198	S	C	.	.			trans	-102.6	56.9	-174.9	-66.4	175.7	-19.3	0	0	111.1	L238 T239 I263 Y288	L238-Q261 CarbonylContact O-C 3.58Å; L238-Q261 WeakPolarHBondContact O-CA 3.21Å; L238-Q261 PolarHBondContact O-N 3.3Å; T239-Q261 WeakPolarHBondContact CA-O 3.25Å; T239-Q261 HydrophobicContact CG2-CB 4.34Å; Q261-I263 PolarHBondContact O-N 3.33Å; Q261-Y288 HydrophobicContact CB-CD1 4.14Å; Q261-Y288 HydrophobicContact CB-CG 4.19Å; Q261-Y288 HydrophobicContact CG-CG 4.48Å
262	W	97.4	Very high	97.4	Very high	6 Å²	6	39.4 Å²	39.4	2%	0.023	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	131	-169.8	-63.7	115.1	0	0	0	113.1	L238 L241 L257 N260 Y288 V289	L238-W262 HydrophobicContact CB-CH2 3.66Å; L238-W262 HydrophobicContact CB-CZ2 4.21Å; L238-W262 HydrophobicContact CB-CZ3 3.91Å; L238-W262 HydrophobicContact CD1-CH2 3.86Å; L238-W262 HydrophobicContact CD1-CZ2 4.36Å; L238-W262 HydrophobicContact CG-CH2 4.39Å; L241-W262 HydrophobicContact CB-CH2 3.99Å; L241-W262 HydrophobicContact CB-CZ3 3.81Å; L257-W262 HydrophobicContact CB-CZ2 3.84Å; L257-W262 HydrophobicContact CD1-CZ2 4.22Å; L257-W262 HydrophobicContact CD2-CH2 4.35Å; L257-W262 HydrophobicContact CD2-CZ2 4.05Å; L257-W262 HydrophobicContact CG-CZ2 4.23Å; L257-W262 PolarHBondContact O-NE1 3.24Å; N260-W262 HydrophobicContact CB-CD2 4.21Å; N260-W262 HydrophobicContact CB-CG 4.47Å; N260-W262 HydrophobicContact CB-CZ2 3.79Å; N260-W262 PolarHBondContact O-N 2.87Å; W262-Y288 WeakPolarHBondContact O-CB 3.46Å; W262-Y288 PolarHBondContact O-N 2.95Å; W262-V289 PolarHBondContact O-N 3.38Å
263	I	96.4	Very high	97.4	Very high	3 Å²	3	42 Å²	42	2%	0.015	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	110.8	171.7	-53.3	170.3	0	0	0	108.8	T239 Q261 D265 R267 A268 V289 I315	T239-I263 HydrophobicContact CG2-CD1 4.37Å; T239-I263 PolarHBondContact O-N 3.28Å; Q261-I263 PolarHBondContact O-N 3.33Å; I263-D265 HydrophobicContact CG2-CB 4.26Å; I263-D265 PolarHBondContact O-N 3.47Å; I263-R267 VanDerWaalsContact CG2-NH2 3.3Å; I263-A268 WeakPolarHBondContact O-CB 3.13Å; I263-V289 CarbonylContact C-O 3.35Å; I263-V289 WeakPolarHBondContact CA-O 3.42Å; I263-V289 HydrophobicContact CG1-CB 4.46Å; I263-V289 HydrophobicContact CG2-CB 4.36Å; I263-V289 HydrophobicContact CG2-CG1 4.17Å; I263-I315 HydrophobicContact CD1-CD1 3.67Å; I263-I315 HydrophobicContact CG1-CD1 4.34Å
264	C	96.8	Very high	97.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	19%	0.185	C	C	.	.			trans	-95.9	66.7	-178	-64.9	0	0	0	0	111.4	C287 V289 P290 L293 L298 L301 L306	C264-C287 HydrophobicContact CB-CB 3.7Å; C264-C287 WeakPolarHBondContact CB-SG 3.44Å; C264-C287 WeakPolarHBondContact SG-CA 3.34Å; C264-C287 WeakPolarHBondContact SG-CB 3.33Å; C264-C287 CovalentContact SG-SG 2.02Å; C264-C287 PolarHBondContact SG-SG 3.47Å; C264-V289 PolarHBondContact N-O 3.41Å; C264-P290 WeakPolarHBondContact O-CD 3.31Å; C264-L293 HydrophobicContact CB-CD1 4.29Å; C264-L293 WeakPolarHBondContact O-CD1 3.39Å; C264-L298 HydrophobicContact CB-CD1 4.33Å; C264-L301 HydrophobicContact CB-CD1 4.22Å; C264-L306 HydrophobicContact CB-CD2 4.12Å
265	D	95.4	Very high	97.3	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	17%	0.168	C	C	.	.	S	Bend	trans	-123.7	-158.2	173.5	71.5	5.1	0	0	0	110.4	I263 R267 A268 L306 G308 V310	I263-D265 HydrophobicContact CG2-CB 4.26Å; I263-D265 PolarHBondContact O-N 3.47Å; D265-R267 PolarHBondContact O-N 2.92Å; D265-R267 VanDerWaalsContact OD1-CB 3.3Å; D265-R267 WeakPolarHBondContact OD1-CB 3.27Å; D265-R267 IonicContact OD1-CZ 3.34Å; D265-R267 PolarHBondContact OD1-N 3.05Å; D265-R267 IonicContact OD1-NE 2.98Å; D265-R267 PolarHBondContact OD1-NE 3.03Å; D265-R267 IonicContact OD1-NH2 2.81Å; D265-R267 IonicContact OD2-CZ 3.58Å; D265-R267 IonicContact OD2-NE 3.92Å; D265-R267 PolarHBondContact OD2-NE 2.81Å; D265-R267 IonicContact OD2-NH2 3.99Å; D265-R267 PolarHBondContact OD2-NH2 2.77Å; D265-A268 PolarHBondContact O-N 2.99Å; D265-L306 CarbonylContact C-O 3.19Å; D265-G308 WeakPolarHBondContact CB-O 3.42Å; D265-V310 HydrophobicContact CB-CG2 4.02Å; D265-V310 PolarHBondContact OD2-N 3.17Å
266	C	95.2	Very high	97.2	Very high	37 Å²	37	39.6 Å²	39.6	25%	0.25	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-47.9	-31.3	175.4	73.4	0	0	0	0	114.6	A268 R269 L306 G308 C309	C266-A268 VanDerWaalsContact C-N 3.35Å; C266-R269 VanDerWaalsContact O-CB 3.3Å; C266-R269 WeakPolarHBondContact O-CB 3.32Å; C266-R269 PolarHBondContact O-N 3.42Å; C266-L306 WeakPolarHBondContact CA-O 3.41Å; C266-L306 PolarHBondContact N-O 2.84Å; C266-G308 WeakPolarHBondContact CB-O 3.39Å; C266-G308 PolarHBondContact N-O 3.42Å; C266-C309 HydrophobicContact CB-CB 4.16Å; C266-C309 WeakPolarHBondContact CB-SG 3.37Å; C266-C309 WeakPolarHBondContact SG-CA 3.46Å; C266-C309 WeakPolarHBondContact SG-CB 3.48Å; C266-C309 CovalentContact SG-SG 2.01Å; C266-C309 PolarHBondContact SG-SG 3Å
267	R	94.9	Very high	97.1	Very high	83 Å²	83	41.3 Å²	41.3	31%	0.313	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-74.6	-26.1	-175.9	-65.1	172.5	-72.7	-172.8	-17	112.7	V240 I263 D265 R269	V240-R267 HydrophobicContact CG1-CB 4.09Å; V240-R267 HydrophobicContact CG2-CB 4.11Å; I263-R267 VanDerWaalsContact CG2-NH2 3.3Å; D265-R267 PolarHBondContact O-N 2.92Å; D265-R267 VanDerWaalsContact OD1-CB 3.3Å; D265-R267 WeakPolarHBondContact OD1-CB 3.27Å; D265-R267 IonicContact OD1-CZ 3.34Å; D265-R267 PolarHBondContact OD1-N 3.05Å; D265-R267 IonicContact OD1-NE 2.98Å; D265-R267 PolarHBondContact OD1-NE 3.03Å; D265-R267 IonicContact OD1-NH2 2.81Å; D265-R267 IonicContact OD2-CZ 3.58Å; D265-R267 IonicContact OD2-NE 3.92Å; D265-R267 PolarHBondContact OD2-NE 2.81Å; D265-R267 IonicContact OD2-NH2 3.99Å; D265-R267 PolarHBondContact OD2-NH2 2.77Å; R267-R269 PolarHBondContact O-N 3.01Å
268	A	96.7	Very high	97.1	Very high	7 Å²	7	43 Å²	43	6%	0.058	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-79	-8.6	177.7	0	0	0	0	0	112.9	I263 D265 C266 T270 L271 W272 L298 L306	I263-A268 WeakPolarHBondContact O-CB 3.13Å; D265-A268 PolarHBondContact O-N 2.99Å; C266-A268 VanDerWaalsContact C-N 3.35Å; A268-T270 PolarHBondContact O-N 3.43Å; A268-L271 PolarHBondContact O-N 2.95Å; A268-W272 WeakPolarHBondContact O-CB 3.07Å; A268-W272 PolarHBondContact O-N 3.31Å; A268-L298 HydrophobicContact CB-CD1 3.87Å; A268-L298 HydrophobicContact CB-CD2 4.03Å; A268-L306 HydrophobicContact CB-CD2 4.48Å
269	R	96.1	Very high	97.1	Very high	100 Å²	100	51 Å²	51	38%	0.377	24%	0.238	S	C	.	.	H	α-helix	trans	-58.9	-45.6	-172.5	-169.9	171.8	-175.5	133.2	-1.4	113.1	C266 R267 L271 W272 D273 E307	C266-R269 VanDerWaalsContact O-CB 3.3Å; C266-R269 WeakPolarHBondContact O-CB 3.32Å; C266-R269 PolarHBondContact O-N 3.42Å; R267-R269 PolarHBondContact O-N 3.01Å; R269-L271 VanDerWaalsContact C-N 3.33Å; R269-L271 PolarHBondContact O-N 3.33Å; R269-W272 WeakPolarHBondContact O-CB 3.21Å; R269-W272 PolarHBondContact O-N 2.96Å; R269-D273 PolarHBondContact O-N 3.01Å; R269-E307 IonicContact NH1-OE1 3.84Å
270	T	96.9	Very high	97	Very high	47 Å²	47	50.4 Å²	50.4	29%	0.288	23%	0.232	S	C	.	.	H	α-helix	trans	-67.4	-35.2	-178.3	63.7	0	0	0	0	112.2	T242 G243 A268 W274	T242-T270 WeakPolarHBondContact CB-OG1 3.44Å; G243-T270 PolarHBondContact N-OG1 3.22Å; A268-T270 PolarHBondContact O-N 3.43Å; T270-W274 WeakPolarHBondContact O-CB 3.21Å; T270-W274 PolarHBondContact O-N 2.97Å
271	L	98	Very high	97	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-70.2	-39.8	173.4	-177.4	65.8	0	0	0	111.8	L241 M246 A268 R269 W274 F275 L285 L298	L241-L271 HydrophobicContact CB-CD2 4.16Å; L241-L271 VanDerWaalsContact O-CB 3.28Å; L241-L271 WeakPolarHBondContact O-CB 2.99Å; M246-L271 HydrophobicContact CG-CD1 4.04Å; A268-L271 PolarHBondContact O-N 2.95Å; R269-L271 VanDerWaalsContact C-N 3.33Å; R269-L271 PolarHBondContact O-N 3.33Å; L271-W274 HydrophobicContact CD1-CE3 4.37Å; L271-W274 WeakPolarHBondContact O-CB 3.06Å; L271-W274 PolarHBondContact O-N 3.05Å; L271-F275 HydrophobicContact CD1-CD2 4.25Å; L271-F275 HydrophobicContact CD1-CE2 3.84Å; L271-F275 HydrophobicContact CD2-CE2 4.14Å; L271-F275 HydrophobicContact CG-CD2 3.97Å; L271-F275 HydrophobicContact CG-CE2 3.74Å; L271-F275 VanDerWaalsContact O-CD2 3.26Å; L271-F275 WeakPolarHBondContact O-CD2 3.32Å; L271-F275 PolarHBondContact O-N 2.82Å; L271-L285 HydrophobicContact CD2-CD2 4.04Å; L271-L298 HydrophobicContact CD2-CD2 4.2Å
272	W	98	Very high	97.1	Very high	29 Å²	29	51 Å²	51	11%	0.11	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-46.4	173.8	178.1	94.2	0	0	0	111.3	A268 R269 W274 F275 K276 L298 L301 L306	A268-W272 WeakPolarHBondContact O-CB 3.07Å; A268-W272 PolarHBondContact O-N 3.31Å; R269-W272 WeakPolarHBondContact O-CB 3.21Å; R269-W272 PolarHBondContact O-N 2.96Å; W272-W274 VanDerWaalsContact C-N 3.32Å; W272-W274 PolarHBondContact O-N 2.79Å; W272-F275 PolarHBondContact O-N 3.42Å; W272-K276 HydrophobicContact CE3-CG 4.44Å; W272-K276 HydrophobicContact CH2-CG 4.45Å; W272-K276 HydrophobicContact CZ2-CD 4.46Å; W272-K276 HydrophobicContact CZ3-CG 4.35Å; W272-K276 PolarHBondContact O-N 3.28Å; W272-L298 HydrophobicContact CB-CD1 4.4Å; W272-L301 PolarHBondContact NE1-O 3Å; W272-L306 HydrophobicContact CB-CD1 3.69Å; W272-L306 HydrophobicContact CD2-CD1 4.12Å; W272-L306 HydrophobicContact CG-CD1 3.57Å
273	D	97.8	Very high	97.2	Very high	68 Å²	68	51.2 Å²	51.2	36%	0.364	25%	0.249	S	C	.	.	H	α-helix	trans	-60.8	-40.9	175	-73.9	-36.5	0	0	0	111.6	R269 F275 K276	R269-D273 PolarHBondContact O-N 3.01Å; D273-F275 VanDerWaalsContact C-N 3.35Å; D273-F275 PolarHBondContact O-N 3.17Å; D273-K276 PolarHBondContact O-N 3.43Å
274	W	98.3	Very high	97.2	Very high	17 Å²	17	56.3 Å²	56.3	6%	0.064	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-43.5	174.4	-177.7	95.6	0	0	0	111.8	M246 L252 L255 T270 L271 W272 K276 R277 F278	M246-W274 HydrophobicContact CB-CD2 3.84Å; M246-W274 VanDerWaalsContact CB-CE2 3.49Å; M246-W274 HydrophobicContact CB-CG 4.04Å; M246-W274 HydrophobicContact CB-CZ2 3.94Å; M246-W274 HydrophobicContact CE-CH2 3.75Å; M246-W274 HydrophobicContact CE-CZ2 3.98Å; M246-W274 HydrophobicContact CE-CZ3 4.15Å; M246-W274 PolarHBondContact O-NE1 3.37Å; L252-W274 HydrophobicContact CD2-CH2 4.05Å; L252-W274 HydrophobicContact CD2-CZ2 4.34Å; L255-W274 HydrophobicContact CD2-CH2 3.82Å; L255-W274 HydrophobicContact CD2-CZ3 3.75Å; T270-W274 WeakPolarHBondContact O-CB 3.21Å; T270-W274 PolarHBondContact O-N 2.97Å; L271-W274 HydrophobicContact CD1-CE3 4.37Å; L271-W274 WeakPolarHBondContact O-CB 3.06Å; L271-W274 PolarHBondContact O-N 3.05Å; W272-W274 VanDerWaalsContact C-N 3.32Å; W272-W274 PolarHBondContact O-N 2.79Å; W274-K276 VanDerWaalsContact C-N 3.27Å; W274-K276 PolarHBondContact O-N 3Å; W274-R277 PolarHBondContact O-N 3.3Å; W274-F278 HydrophobicContact CE3-CB 4.1Å; W274-F278 HydrophobicContact CE3-CG 4.49Å; W274-F278 HydrophobicContact CH2-CB 3.92Å; W274-F278 HydrophobicContact CH2-CD1 4.04Å; W274-F278 AromaticContact CH2-CD2 3.34Å; W274-F278 HydrophobicContact CH2-CD2 3.34Å; W274-F278 HydrophobicContact CH2-CE1 4.39Å; W274-F278 AromaticContact CH2-CE2 3.77Å; W274-F278 HydrophobicContact CH2-CE2 3.77Å; W274-F278 AromaticContact CH2-CG 3.49Å; W274-F278 HydrophobicContact CH2-CG 3.49Å; W274-F278 VanDerWaalsContact CH2-CG 3.49Å; W274-F278 HydrophobicContact CH2-CZ 4.26Å; W274-F278 HydrophobicContact CZ2-CB 4.36Å; W274-F278 AromaticContact CZ2-CD2 3.71Å; W274-F278 HydrophobicContact CZ2-CD2 3.71Å; W274-F278 HydrophobicContact CZ2-CE2 4.26Å; W274-F278 HydrophobicContact CZ2-CG 4.16Å; W274-F278 HydrophobicContact CZ3-CB 3.78Å; W274-F278 HydrophobicContact CZ3-CD1 4.05Å; W274-F278 HydrophobicContact CZ3-CD2 4.05Å; W274-F278 AromaticContact CZ3-CG 3.69Å; W274-F278 HydrophobicContact CZ3-CG 3.69Å; W274-F278 PolarHBondContact O-N 3.38Å
275	F	98.2	Very high	97.2	Very high	18 Å²	18	56.3 Å²	56.3	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-27.9	177.2	-86.9	-63.9	0	0	0	114.1	L255 L257 L271 W272 D273 R277 F278 L285 K299	L255-F275 HydrophobicContact CD2-CE1 3.99Å; L255-F275 HydrophobicContact CD2-CZ 3.85Å; L257-F275 HydrophobicContact CD1-CE2 4.44Å; L257-F275 HydrophobicContact CD1-CZ 3.98Å; L271-F275 HydrophobicContact CD1-CD2 4.25Å; L271-F275 HydrophobicContact CD1-CE2 3.84Å; L271-F275 HydrophobicContact CD2-CE2 4.14Å; L271-F275 HydrophobicContact CG-CD2 3.97Å; L271-F275 HydrophobicContact CG-CE2 3.74Å; L271-F275 VanDerWaalsContact O-CD2 3.26Å; L271-F275 WeakPolarHBondContact O-CD2 3.32Å; L271-F275 PolarHBondContact O-N 2.82Å; W272-F275 PolarHBondContact O-N 3.42Å; D273-F275 VanDerWaalsContact C-N 3.35Å; D273-F275 PolarHBondContact O-N 3.17Å; F275-R277 PolarHBondContact O-N 3Å; F275-F278 HydrophobicContact CD1-CD1 4.3Å; F275-F278 HydrophobicContact CE1-CD1 4.38Å; F275-F278 PolarHBondContact O-N 2.95Å; F275-L285 HydrophobicContact CE2-CD1 4.17Å; F275-L285 HydrophobicContact CE2-CD2 3.52Å; F275-L285 HydrophobicContact CZ-CD1 3.82Å; F275-L285 HydrophobicContact CZ-CD2 3.96Å; F275-K299 HydrophobicContact CB-CG 4.31Å; F275-K299 HydrophobicContact CD1-CD 3.84Å; F275-K299 HydrophobicContact CD1-CG 4.12Å; F275-K299 HydrophobicContact CD2-CG 4.09Å; F275-K299 HydrophobicContact CE1-CD 3.99Å; F275-K299 HydrophobicContact CE1-CG 4.49Å; F275-K299 HydrophobicContact CE2-CG 4.47Å; F275-K299 HydrophobicContact CG-CD 4.18Å; F275-K299 HydrophobicContact CG-CG 3.91Å; F275-K299 HydrophobicContact CZ-CD 4.44Å
276	K	97.1	Very high	97.3	Very high	112 Å²	112	61.1 Å²	61.1	49%	0.487	30%	0.295	S	S	.	.	H	α-helix	trans	-67	-24.8	174	-58	-49.9	-179.4	-177.4	0	112.7	W272 D273 W274 K299	W272-K276 HydrophobicContact CE3-CG 4.44Å; W272-K276 HydrophobicContact CH2-CG 4.45Å; W272-K276 HydrophobicContact CZ2-CD 4.46Å; W272-K276 HydrophobicContact CZ3-CG 4.35Å; W272-K276 PolarHBondContact O-N 3.28Å; D273-K276 PolarHBondContact O-N 3.43Å; W274-K276 VanDerWaalsContact C-N 3.27Å; W274-K276 PolarHBondContact O-N 3Å; K276-K299 PolarHBondContact NZ-O 3.38Å
277	R	97	Very high	97.4	Very high	156 Å²	156	59.6 Å²	59.6	59%	0.589	28%	0.284	S	S	*	.	H	α-helix	trans	-95.1	-24.2	179.1	-59.8	-179.7	-66.8	160.2	9.4	112.6	D247 W274 F275 K279	D247-R277 IonicContact OD1-CZ 3.92Å; D247-R277 IonicContact OD1-NH2 2.93Å; D247-R277 PolarHBondContact OD1-NH2 2.8Å; W274-R277 PolarHBondContact O-N 3.3Å; F275-R277 PolarHBondContact O-N 3Å; R277-K279 PolarHBondContact O-N 2.02Å
278	F	98	Very high	97.5	Very high	37 Å²	37	62.1 Å²	62.1	16%	0.162	30%	0.295	C	S	.	.			trans	-68.4	126	-177	-176.8	-118.3	0	0	0	112.2	L252 L255 W274 F275 G280	L252-F278 HydrophobicContact CB-CE2 4.06Å; L252-F278 HydrophobicContact CD2-CE2 4.06Å; L252-F278 HydrophobicContact CD2-CZ 4.23Å; L252-F278 HydrophobicContact CG-CE2 4.19Å; L252-F278 HydrophobicContact CG-CZ 4.35Å; L252-F278 WeakPolarHBondContact O-CE2 3.27Å; L255-F278 HydrophobicContact CB-CE1 4.45Å; L255-F278 HydrophobicContact CB-CZ 4.4Å; W274-F278 HydrophobicContact CE3-CB 4.1Å; W274-F278 HydrophobicContact CE3-CG 4.49Å; W274-F278 HydrophobicContact CH2-CB 3.92Å; W274-F278 HydrophobicContact CH2-CD1 4.04Å; W274-F278 AromaticContact CH2-CD2 3.34Å; W274-F278 HydrophobicContact CH2-CD2 3.34Å; W274-F278 HydrophobicContact CH2-CE1 4.39Å; W274-F278 AromaticContact CH2-CE2 3.77Å; W274-F278 HydrophobicContact CH2-CE2 3.77Å; W274-F278 AromaticContact CH2-CG 3.49Å; W274-F278 HydrophobicContact CH2-CG 3.49Å; W274-F278 VanDerWaalsContact CH2-CG 3.49Å; W274-F278 HydrophobicContact CH2-CZ 4.26Å; W274-F278 HydrophobicContact CZ2-CB 4.36Å; W274-F278 AromaticContact CZ2-CD2 3.71Å; W274-F278 HydrophobicContact CZ2-CD2 3.71Å; W274-F278 HydrophobicContact CZ2-CE2 4.26Å; W274-F278 HydrophobicContact CZ2-CG 4.16Å; W274-F278 HydrophobicContact CZ3-CB 3.78Å; W274-F278 HydrophobicContact CZ3-CD1 4.05Å; W274-F278 HydrophobicContact CZ3-CD2 4.05Å; W274-F278 AromaticContact CZ3-CG 3.69Å; W274-F278 HydrophobicContact CZ3-CG 3.69Å; W274-F278 PolarHBondContact O-N 3.38Å; F275-F278 HydrophobicContact CD1-CD1 4.3Å; F275-F278 HydrophobicContact CE1-CD1 4.38Å; F275-F278 PolarHBondContact O-N 2.95Å; F278-G280 VanDerWaalsContact CE1-CA 3.49Å; F278-G280 WeakPolarHBondContact CE1-O 3.14Å
279	K	97	Very high	97.4	Very high	207 Å²	207	62.9 Å²	62.9	90%	0.9	30%	0.299	S	S	*	.			trans	-102	-2.2	-178.4	-61.5	-177.3	-178.7	177.8	0	114.1	R277	R277-K279 PolarHBondContact O-N 2.02Å
280	G	97.4	Very high	97.3	Very high	29 Å²	29	59.4 Å²	59.4	30%	0.299	29%	0.289	S	S	.	.	S	Bend	trans	-83.8	-174.3	-179.9	0	0	0	0	0	113.1	Q253 F278	Q253-G280 CarbonylContact O-C 3.55Å; Q253-G280 WeakPolarHBondContact O-CA 3.13Å; F278-G280 VanDerWaalsContact CE1-CA 3.49Å; F278-G280 WeakPolarHBondContact CE1-O 3.14Å
281	S	98.4	Very high	97.1	Very high	75 Å²	75	65.6 Å²	65.6	52%	0.524	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.2	174.9	-62.8	0	0	0	0	110.5	Q253 Y254 L255	Q253-S281 PolarHBondContact O-N 2.82Å; Y254-S281 WeakPolarHBondContact CA-O 3.34Å; L255-S281 PolarHBondContact N-O 3.31Å
282	S	98.4	Very high	96.9	Very high	34 Å²	34	70.4 Å²	70.4	24%	0.238	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.1	173.6	64.4	0	0	0	0	112.6	L255 K299	L255-S282 CarbonylContact O-C 3.16Å; L255-S282 WeakPolarHBondContact O-CA 3.29Å; S282-K299 PolarHBondContact O-NZ 3.33Å; S282-K299 WeakPolarHBondContact OG-CD 3.38Å; S282-K299 PolarHBondContact OG-NZ 2.88Å
283	S	98.2	Very high	96.8	Very high	9 Å²	9	69.7 Å²	69.7	6%	0.063	35%	0.346	C	S	.	.			trans	-64.8	169.4	166	67.5	0	0	0	0	111.3	L255 L257 N258 L285 K299	L255-S283 PolarHBondContact O-N 3.02Å; L257-S283 PolarHBondContact N-OG 3.27Å; N258-S283 PolarHBondContact N-OG 2.99Å; N258-S283 VanDerWaalsContact OD1-CB 3.26Å; N258-S283 WeakPolarHBondContact OD1-CB 3.26Å; N258-S283 PolarHBondContact OD1-OG 3.15Å; S283-L285 WeakPolarHBondContact O-CD1 3.36Å; S283-K299 PolarHBondContact O-NZ 3.37Å
284	E	97	Very high	96.7	Very high	111 Å²	111	69 Å²	69	52%	0.519	35%	0.35	S	S	.	.			trans	-62.5	147	166.9	-66.9	171.8	-178.3	0	0	110.9	N258	N258-E284 WeakPolarHBondContact CA-O 3.39Å; N258-E284 WeakPolarHBondContact CB-O 3.49Å
285	L	96.9	Very high	96.6	Very high	1 Å²	1	70.7 Å²	70.7	1%	0.005	37%	0.373	C	S	.	.			trans	-119.6	79.6	172.5	-82.5	75.7	0	0	0	108.2	L257 L271 F275 S283 C287 D297 L298 K299	L257-L285 HydrophobicContact CB-CD1 3.81Å; L257-L285 HydrophobicContact CB-CD2 4.38Å; L257-L285 HydrophobicContact CB-CG 3.89Å; L257-L285 HydrophobicContact CD1-CD1 4.06Å; L257-L285 HydrophobicContact CD1-CD2 3.78Å; L257-L285 HydrophobicContact CD1-CG 4.16Å; L257-L285 HydrophobicContact CG-CD1 4.49Å; L271-L285 HydrophobicContact CD2-CD2 4.04Å; F275-L285 HydrophobicContact CE2-CD1 4.17Å; F275-L285 HydrophobicContact CE2-CD2 3.52Å; F275-L285 HydrophobicContact CZ-CD1 3.82Å; F275-L285 HydrophobicContact CZ-CD2 3.96Å; S283-L285 WeakPolarHBondContact O-CD1 3.36Å; L285-C287 PolarHBondContact O-N 2.95Å; L285-D297 PolarHBondContact N-OD1 3.43Å; L285-D297 WeakPolarHBondContact O-CA 3.47Å; L285-L298 HydrophobicContact CB-CB 4.05Å; L285-L298 HydrophobicContact CD2-CD2 4.13Å; L285-L298 PolarHBondContact O-N 2.8Å; L285-K299 HydrophobicContact CD1-CD 4.34Å
286	E	97.7	Very high	96.6	Very high	105 Å²	105	73.5 Å²	73.5	49%	0.491	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-63.7	124.6	177.7	-67.4	171.6	-148.1	0	0	110.8	N296	E286-N296 WeakPolarHBondContact CA-O 3.1Å
287	C	97.7	Very high	96.6	Very high	4 Å²	4	68.9 Å²	68.9	3%	0.027	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	132.8	172.3	-62.2	0	0	0	0	110	C264 L285 L293 A294 G295 N296	C264-C287 HydrophobicContact CB-CB 3.7Å; C264-C287 WeakPolarHBondContact CB-SG 3.44Å; C264-C287 WeakPolarHBondContact SG-CA 3.34Å; C264-C287 WeakPolarHBondContact SG-CB 3.33Å; C264-C287 CovalentContact SG-SG 2.02Å; C264-C287 PolarHBondContact SG-SG 3.47Å; L285-C287 PolarHBondContact O-N 2.95Å; C287-L293 HydrophobicContact CB-CB 4.33Å; C287-L293 VanDerWaalsContact CB-O 3.28Å; C287-L293 WeakPolarHBondContact CB-O 3.33Å; C287-A294 CarbonylContact O-C 3.59Å; C287-A294 VanDerWaalsContact O-CA 3.27Å; C287-A294 WeakPolarHBondContact O-CA 3.33Å; C287-G295 PolarHBondContact O-N 3.3Å; C287-N296 PolarHBondContact N-O 2.86Å; C287-N296 PolarHBondContact SG-O 3.48Å
288	Y	96.9	Very high	96.7	Very high	137 Å²	137	61.6 Å²	61.6	54%	0.537	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-41.6	172.7	-177.4	-104.8	0	0	0	111.1	Q261 W262	Q261-Y288 HydrophobicContact CB-CD1 4.14Å; Q261-Y288 HydrophobicContact CB-CG 4.19Å; Q261-Y288 HydrophobicContact CG-CG 4.48Å; W262-Y288 WeakPolarHBondContact O-CB 3.46Å; W262-Y288 PolarHBondContact O-N 2.95Å
289	V	94.2	Very high	96.6	Very high	23 Å²	23	61.9 Å²	61.9	14%	0.139	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146.6	178	167.8	0	0	0	0	108.6	W262 I263 C264 V310 T312	W262-V289 PolarHBondContact O-N 3.38Å; I263-V289 CarbonylContact C-O 3.35Å; I263-V289 WeakPolarHBondContact CA-O 3.42Å; I263-V289 HydrophobicContact CG1-CB 4.46Å; I263-V289 HydrophobicContact CG2-CB 4.36Å; I263-V289 HydrophobicContact CG2-CG1 4.17Å; C264-V289 PolarHBondContact N-O 3.41Å; V289-V310 HydrophobicContact CG1-CG1 4.49Å; V289-T312 HydrophobicContact CG1-CG2 4.39Å
290	P	94.5	Very high	96.6	Very high	26 Å²	26	59.2 Å²	59.2	17%	0.169	33%	0.334	C	S	.	.	S	Bend	cis	-70.7	161.8	-4.6	29.5	-34.9	0	0	0	113.4	C264 S292 L293 A294 V310	C264-P290 WeakPolarHBondContact O-CD 3.31Å; P290-S292 PolarHBondContact O-N 3.1Å; P290-S292 VanDerWaalsContact O-N 3.14Å; P290-L293 HydrophobicContact CG-CB 4.24Å; P290-L293 HydrophobicContact CG-CD1 4.04Å; P290-L293 HydrophobicContact CG-CG 4.11Å; P290-L293 CarbonylContact O-C 3.25Å; P290-L293 PolarHBondContact O-N 2.78Å; P290-A294 PolarHBondContact O-N 3.46Å; P290-A294 VanDerWaalsContact O-N 3.09Å; P290-V310 HydrophobicContact CB-CG2 4.08Å; P290-V310 HydrophobicContact CG-CG2 4.31Å
291	E	92.7	Very high	96.5	Very high	178 Å²	178	58.7 Å²	58.7	83%	0.832	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-53.3	-34.4	177.2	-69.7	-177.9	176.3	0	0	112.6	L293 A294	E291-L293 PolarHBondContact O-N 3.45Å; E291-A294 WeakPolarHBondContact O-CB 3.41Å; E291-A294 PolarHBondContact O-N 2.81Å
292	S	94.2	Very high	96.4	Very high	103 Å²	103	62.1 Å²	62.1	72%	0.72	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-64.2	-20.5	177.4	59.1	0	0	0	0	114.3	P290	P290-S292 PolarHBondContact O-N 3.1Å; P290-S292 VanDerWaalsContact O-N 3.14Å
293	L	95.6	Very high	96.2	Very high	13 Å²	13	62 Å²	62	7%	0.068	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-113.6	-0.5	178.4	-63.8	178.9	0	0	0	112.4	C264 C287 P290 E291 G295 N296 L301 K305	C264-L293 HydrophobicContact CB-CD1 4.29Å; C264-L293 WeakPolarHBondContact O-CD1 3.39Å; C287-L293 HydrophobicContact CB-CB 4.33Å; C287-L293 VanDerWaalsContact CB-O 3.28Å; C287-L293 WeakPolarHBondContact CB-O 3.33Å; P290-L293 HydrophobicContact CG-CB 4.24Å; P290-L293 HydrophobicContact CG-CD1 4.04Å; P290-L293 HydrophobicContact CG-CG 4.11Å; P290-L293 CarbonylContact O-C 3.25Å; P290-L293 PolarHBondContact O-N 2.78Å; E291-L293 PolarHBondContact O-N 3.45Å; L293-G295 PolarHBondContact O-N 2.97Å; L293-N296 VanDerWaalsContact C-ND2 3.31Å; L293-N296 WeakPolarHBondContact CA-ND2 3.28Å; L293-N296 WeakPolarHBondContact O-CB 3.39Å; L293-N296 PolarHBondContact O-N 3.49Å; L293-N296 PolarHBondContact O-ND2 3.34Å; L293-L301 HydrophobicContact CD1-CD1 4.14Å; L293-L301 HydrophobicContact CD2-CD2 4.2Å; L293-K305 HydrophobicContact CD1-CB 4.44Å; L293-K305 HydrophobicContact CD2-CB 4.47Å; L293-K305 HydrophobicContact CD2-CD 4.42Å
294	A	96.2	Very high	96	Very high	53 Å²	53	66.7 Å²	66.7	44%	0.438	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	134.6	-176.3	0	0	0	0	0	112.1	C287 P290 E291 N296	C287-A294 CarbonylContact O-C 3.59Å; C287-A294 VanDerWaalsContact O-CA 3.27Å; C287-A294 WeakPolarHBondContact O-CA 3.33Å; P290-A294 PolarHBondContact O-N 3.46Å; P290-A294 VanDerWaalsContact O-N 3.09Å; E291-A294 WeakPolarHBondContact O-CB 3.41Å; E291-A294 PolarHBondContact O-N 2.81Å; A294-N296 PolarHBondContact O-N 3.18Å
295	G	96.2	Very high	95.8	Very high	53 Å²	53	67.8 Å²	67.8	55%	0.546	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-10.6	-178	0	0	0	0	0	115.6	C287 L293	C287-G295 PolarHBondContact O-N 3.3Å; L293-G295 PolarHBondContact O-N 2.97Å
296	N	97.4	Very high	95.7	Very high	77 Å²	77	67.7 Å²	67.7	41%	0.412	35%	0.353	S	S	.	.			trans	-75	143.8	173.4	-64.5	-78.8	0	0	0	110.8	E286 C287 L293 A294 L298 L301	E286-N296 WeakPolarHBondContact CA-O 3.1Å; C287-N296 PolarHBondContact N-O 2.86Å; C287-N296 PolarHBondContact SG-O 3.48Å; L293-N296 VanDerWaalsContact C-ND2 3.31Å; L293-N296 WeakPolarHBondContact CA-ND2 3.28Å; L293-N296 WeakPolarHBondContact O-CB 3.39Å; L293-N296 PolarHBondContact O-N 3.49Å; L293-N296 PolarHBondContact O-ND2 3.34Å; A294-N296 PolarHBondContact O-N 3.18Å; N296-L298 PolarHBondContact O-N 3.07Å; N296-L301 HydrophobicContact CB-CD2 3.92Å
297	D	97.9	Very high	95.3	Very high	16 Å²	16	68.6 Å²	68.6	9%	0.086	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-76.1	119	172.8	-178.7	14.3	0	0	0	110.3	L285 K299 Q300 L301	L285-D297 PolarHBondContact N-OD1 3.43Å; L285-D297 WeakPolarHBondContact O-CA 3.47Å; D297-K299 PolarHBondContact O-N 2.76Å; D297-K299 WeakPolarHBondContact OD1-CE 3.3Å; D297-K299 PolarHBondContact OD1-N 2.73Å; D297-K299 WeakPolarHBondContact OD2-CE 3.21Å; D297-K299 IonicContact OD2-NZ 3.78Å; D297-Q300 HydrophobicContact CB-CG 4.08Å; D297-Q300 PolarHBondContact O-N 3.26Å; D297-Q300 PolarHBondContact OD2-NE2 2.99Å; D297-L301 PolarHBondContact O-N 2.9Å
298	L	97.4	Very high	94.7	Very high	2 Å²	2	71 Å²	71	1%	0.01	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-47.1	-41	178.9	174.3	61.9	0	0	0	111.7	C264 A268 L271 W272 L285 N296 Q300 L301 L306	C264-L298 HydrophobicContact CB-CD1 4.33Å; A268-L298 HydrophobicContact CB-CD1 3.87Å; A268-L298 HydrophobicContact CB-CD2 4.03Å; L271-L298 HydrophobicContact CD2-CD2 4.2Å; W272-L298 HydrophobicContact CB-CD1 4.4Å; L285-L298 HydrophobicContact CB-CB 4.05Å; L285-L298 HydrophobicContact CD2-CD2 4.13Å; L285-L298 PolarHBondContact O-N 2.8Å; N296-L298 PolarHBondContact O-N 3.07Å; L298-Q300 PolarHBondContact O-N 3.02Å; L298-L301 HydrophobicContact CD1-CD1 4.22Å; L298-L301 WeakPolarHBondContact O-CB 3.41Å; L298-L301 PolarHBondContact O-N 2.75Å; L298-L306 HydrophobicContact CD1-CD1 3.95Å; L298-L306 HydrophobicContact CD1-CD2 3.81Å
299	K	96.8	Very high	94.4	Very high	43 Å²	43	68.5 Å²	68.5	19%	0.187	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-62.3	-27	-176.5	-59.5	178.7	-58.9	-173.4	0	113.2	F275 K276 S282 S283 L285 D297	F275-K299 HydrophobicContact CB-CG 4.31Å; F275-K299 HydrophobicContact CD1-CD 3.84Å; F275-K299 HydrophobicContact CD1-CG 4.12Å; F275-K299 HydrophobicContact CD2-CG 4.09Å; F275-K299 HydrophobicContact CE1-CD 3.99Å; F275-K299 HydrophobicContact CE1-CG 4.49Å; F275-K299 HydrophobicContact CE2-CG 4.47Å; F275-K299 HydrophobicContact CG-CD 4.18Å; F275-K299 HydrophobicContact CG-CG 3.91Å; F275-K299 HydrophobicContact CZ-CD 4.44Å; K276-K299 PolarHBondContact NZ-O 3.38Å; S282-K299 PolarHBondContact O-NZ 3.33Å; S282-K299 WeakPolarHBondContact OG-CD 3.38Å; S282-K299 PolarHBondContact OG-NZ 2.88Å; S283-K299 PolarHBondContact O-NZ 3.37Å; L285-K299 HydrophobicContact CD1-CD 4.34Å; D297-K299 PolarHBondContact O-N 2.76Å; D297-K299 WeakPolarHBondContact OD1-CE 3.3Å; D297-K299 PolarHBondContact OD1-N 2.73Å; D297-K299 WeakPolarHBondContact OD2-CE 3.21Å; D297-K299 IonicContact OD2-NZ 3.78Å
300	Q	96.6	Very high	93.9	Very high	151 Å²	151	69.9 Å²	69.9	71%	0.706	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-92.8	-12.5	-176.6	-57.7	-176.8	21.2	0	0	113	D297 L298	D297-Q300 HydrophobicContact CB-CG 4.08Å; D297-Q300 PolarHBondContact O-N 3.26Å; D297-Q300 PolarHBondContact OD2-NE2 2.99Å; L298-Q300 PolarHBondContact O-N 3.02Å
301	L	96.4	Very high	92.8	Very high	18 Å²	18	77.7 Å²	77.7	9%	0.094	43%	0.426	C	S	.	.	S	Bend	trans	-65.5	151.4	177.4	-61.6	-178.2	0	0	0	111.7	C264 W272 L293 N296 D297 L298 L306	C264-L301 HydrophobicContact CB-CD1 4.22Å; W272-L301 PolarHBondContact NE1-O 3Å; L293-L301 HydrophobicContact CD1-CD1 4.14Å; L293-L301 HydrophobicContact CD2-CD2 4.2Å; N296-L301 HydrophobicContact CB-CD2 3.92Å; D297-L301 PolarHBondContact O-N 2.9Å; L298-L301 HydrophobicContact CD1-CD1 4.22Å; L298-L301 WeakPolarHBondContact O-CB 3.41Å; L298-L301 PolarHBondContact O-N 2.75Å; L301-L306 HydrophobicContact CD1-CD2 4.01Å
302	K	95.4	Very high	91.2	Very high	147 Å²	147	71 Å²	71	64%	0.639	40%	0.398	S	S	*	.			trans	-82.7	153.9	167.8	-58.4	-174.5	179	-178.2	0	110.3	E304 K305	K302-E304 VanDerWaalsContact C-N 3.26Å; K302-E304 VanDerWaalsContact CB-OE2 3.22Å; K302-E304 WeakPolarHBondContact CB-OE2 3.23Å; K302-E304 PolarHBondContact O-N 2.99Å; K302-K305 WeakPolarHBondContact O-CB 3.2Å; K302-K305 PolarHBondContact O-N 2.75Å; K302-K305 VanDerWaalsContact O-N 3.13Å
303	S	94.1	Very high	89.2	Confident	33 Å²	33	72.1 Å²	72.1	23%	0.231	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-53.9	-40.3	-179.1	26.9	0	0	0	0	113.5	K305 L306	S303-K305 PolarHBondContact O-N 3.21Å; S303-L306 PolarHBondContact O-N 3.01Å
304	E	94.1	Very high	86.8	Confident	107 Å²	107	79.6 Å²	79.6	50%	0.5	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-64.3	-26	-176	-50.8	74.5	-123	0	0	112.2	K302 L306 E307	K302-E304 VanDerWaalsContact C-N 3.26Å; K302-E304 VanDerWaalsContact CB-OE2 3.22Å; K302-E304 WeakPolarHBondContact CB-OE2 3.23Å; K302-E304 PolarHBondContact O-N 2.99Å; E304-L306 PolarHBondContact O-N 3.08Å; E304-E307 WeakPolarHBondContact O-CB 3.36Å; E304-E307 PolarHBondContact O-N 3.46Å
305	K	93.7	Very high	84.7	Confident	133 Å²	133	79.3 Å²	79.3	58%	0.578	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-73.8	-16.3	177.5	-67.5	-64.1	-169.5	173.3	0	113.1	L293 K302 S303	L293-K305 HydrophobicContact CD1-CB 4.44Å; L293-K305 HydrophobicContact CD2-CB 4.47Å; L293-K305 HydrophobicContact CD2-CD 4.42Å; K302-K305 WeakPolarHBondContact O-CB 3.2Å; K302-K305 PolarHBondContact O-N 2.75Å; K302-K305 VanDerWaalsContact O-N 3.13Å; S303-K305 PolarHBondContact O-N 3.21Å
306	L	94.4	Very high	82.1	Confident	0 Å²	0	85.8 Å²	85.8	0%	0	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-99.5	12.4	177.2	-57.5	176.6	0	0	0	111.6	C264 D265 C266 A268 W272 L298 L301 S303 E304	C264-L306 HydrophobicContact CB-CD2 4.12Å; D265-L306 CarbonylContact C-O 3.19Å; C266-L306 WeakPolarHBondContact CA-O 3.41Å; C266-L306 PolarHBondContact N-O 2.84Å; A268-L306 HydrophobicContact CB-CD2 4.48Å; W272-L306 HydrophobicContact CB-CD1 3.69Å; W272-L306 HydrophobicContact CD2-CD1 4.12Å; W272-L306 HydrophobicContact CG-CD1 3.57Å; L298-L306 HydrophobicContact CD1-CD1 3.95Å; L298-L306 HydrophobicContact CD1-CD2 3.81Å; L301-L306 HydrophobicContact CD1-CD2 4.01Å; S303-L306 PolarHBondContact O-N 3.01Å; E304-L306 PolarHBondContact O-N 3.08Å
307	E	88.3	Confident	79.6	Confident	124 Å²	124	84.7 Å²	84.7	58%	0.579	44%	0.443	S	S	*	.			trans	-85.5	133.6	175.1	-65.6	-177.3	173.5	0	0	110.8	R269 E304	R269-E307 IonicContact NH1-OE1 3.84Å; E304-E307 WeakPolarHBondContact O-CB 3.36Å; E304-E307 PolarHBondContact O-N 3.46Å
308	G	86.8	Confident	76.8	Confident	53 Å²	53	90 Å²	90	55%	0.546	48%	0.476	S	S	.	.	S	Bend	trans	91	142.2	-173.7	0	0	0	0	0	112.8	D265 C266	D265-G308 WeakPolarHBondContact CB-O 3.42Å; C266-G308 WeakPolarHBondContact CB-O 3.39Å; C266-G308 PolarHBondContact N-O 3.42Å
309	C	88.8	Confident	74.3	Confident	86 Å²	86	94.2 Å²	94.2	58%	0.581	50%	0.498	S	S	*	.			trans	-101.8	129.7	176.4	-53.5	0	0	0	0	108.4	C266 E311	C266-C309 HydrophobicContact CB-CB 4.16Å; C266-C309 WeakPolarHBondContact CB-SG 3.37Å; C266-C309 WeakPolarHBondContact SG-CA 3.46Å; C266-C309 WeakPolarHBondContact SG-CB 3.48Å; C266-C309 CovalentContact SG-SG 2.01Å; C266-C309 PolarHBondContact SG-SG 3Å; C309-E311 PolarHBondContact O-N 3.32Å
310	V	84.2	Confident	71.8	Confident	52 Å²	52	98.5 Å²	98.5	32%	0.315	52%	0.517	S	S	.	.			trans	-74.7	119.1	176.6	-176.5	0	0	0	0	108.1	D265 V289 P290 T312	D265-V310 HydrophobicContact CB-CG2 4.02Å; D265-V310 PolarHBondContact OD2-N 3.17Å; V289-V310 HydrophobicContact CG1-CG1 4.49Å; P290-V310 HydrophobicContact CB-CG2 4.08Å; P290-V310 HydrophobicContact CG-CG2 4.31Å; V310-T312 VanDerWaalsContact C-N 3.34Å; V310-T312 HydrophobicContact CG1-CG2 3.96Å; V310-T312 PolarHBondContact O-N 2.96Å
311	E	71.9	Confident	68.7	Low	189 Å²	189	98.1 Å²	98.1	88%	0.883	52%	0.52	S	S	*	.			trans	-74.9	87	170.3	-71.3	-163.1	167.3	0	0	109.6	C309 S313	C309-E311 PolarHBondContact O-N 3.32Å; E311-S313 PolarHBondContact O-N 2.83Å
312	T	59.8	Low	65.9	Low	38 Å²	38	102.9 Å²	102.9	23%	0.233	55%	0.554	C	S	.	*			trans	-84.2	101	176.8	30.2	0	0	0	0	111.4	V289 V310 Q314 I315	V289-T312 HydrophobicContact CG1-CG2 4.39Å; V310-T312 VanDerWaalsContact C-N 3.34Å; V310-T312 HydrophobicContact CG1-CG2 3.96Å; V310-T312 PolarHBondContact O-N 2.96Å; T312-Q314 PolarHBondContact O-N 2.72Å; T312-I315 HydrophobicContact CG2-CD1 3.82Å; T312-I315 HydrophobicContact CG2-CG1 3.97Å
313	S	50.8	Low	62.9	Low	126 Å²	126	104.6 Å²	104.6	88%	0.881	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-1.8	154.2	44.3	0	0	0	0	113	E311	E311-S313 PolarHBondContact O-N 2.83Å
314	Q	46.6	Very low	60.3	Low	170 Å²	170	107.9 Å²	107.9	79%	0.794	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	0.7	-176.3	-68	178.5	-15.6	0	0	114.9	T312	T312-Q314 PolarHBondContact O-N 2.72Å
315	I	50.3	Low	57.3	Low	48 Å²	48	111.8 Å²	111.8	25%	0.246	61%	0.609	C	S	.	*			trans	-125.5	104.8	179	-52.1	176.8	0	0	0	108.4	I263 T312 T317	I263-I315 HydrophobicContact CD1-CD1 3.67Å; I263-I315 HydrophobicContact CG1-CD1 4.34Å; T312-I315 HydrophobicContact CG2-CD1 3.82Å; T312-I315 HydrophobicContact CG2-CG1 3.97Å; I315-T317 HydrophobicContact CG2-CG2 3.85Å; I315-T317 PolarHBondContact O-N 2.96Å
316	Q	41.7	Very low	54.4	Low	189 Å²	189	111.4 Å²	111.4	88%	0.883	62%	0.623	S	S	*	*			trans	-69.1	74.3	166.7	-82.3	-177	-18.4	0	0	109.7	T318	Q316-T318 PolarHBondContact O-N 3.4Å
317	T	45	Very low	51.3	Low	53 Å²	53	113.9 Å²	113.9	33%	0.325	65%	0.649	S	S	.	*			trans	-82.4	89.8	157.6	44.1	0	0	0	0	107.9	I315 L319	I315-T317 HydrophobicContact CG2-CG2 3.85Å; I315-T317 PolarHBondContact O-N 2.96Å; T317-L319 PolarHBondContact O-N 3.03Å
318	T	38.7	Very low	48.3	Very low	127 Å²	127	118.2 Å²	118.2	78%	0.779	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	9.6	175.4	45.4	0	0	0	0	114.3	Q316	Q316-T318 PolarHBondContact O-N 3.4Å
319	L	46.8	Very low	45.3	Very low	91 Å²	91	125.4 Å²	125.4	48%	0.476	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.5	-15	-173.9	-88.1	146	0	0	0	114.9	I192 T317	I192-L319 HydrophobicContact CD1-CD1 4.29Å; T317-L319 PolarHBondContact O-N 3.03Å
320	F	43	Very low	42.3	Very low	134 Å²	134	126.6 Å²	126.6	59%	0.588	69%	0.692	S	S	*	*			trans	-117.9	66.5	178.9	-71.7	-76.9	0	0	0	110.9	F216	F216-F320 HydrophobicContact CD2-CE2 4.04Å; F216-F320 HydrophobicContact CD2-CZ 4.06Å; F216-F320 HydrophobicContact CE1-CZ 4.43Å; F216-F320 AromaticContact CE2-CE2 3.89Å; F216-F320 HydrophobicContact CE2-CE2 3.89Å; F216-F320 AromaticContact CE2-CZ 3.42Å; F216-F320 HydrophobicContact CE2-CZ 3.42Å; F216-F320 VanDerWaalsContact CE2-CZ 3.42Å; F216-F320 HydrophobicContact CZ-CE1 4.45Å; F216-F320 HydrophobicContact CZ-CE2 4.36Å; F216-F320 AromaticContact CZ-CZ 3.63Å; F216-F320 HydrophobicContact CZ-CZ 3.63Å
321	N	32.6	Very low	39.3	Very low	142 Å²	142	128.6 Å²	128.6	76%	0.759	71%	0.708	S	S	*	*			trans	-126.4	67.7	166.3	-135.8	15.1	0	0	0	109.5	K323	N321-K323 VanDerWaalsContact C-N 3.27Å; N321-K323 PolarHBondContact O-N 3.19Å
322	S	36.9	Very low	37.2	Very low	118 Å²	118	125.6 Å²	125.6	83%	0.825	70%	0.703	S	S	*	*			trans	-91.9	64.9	157.4	51.7	0	0	0	0	108.8	A324	S322-A324 PolarHBondContact O-N 2.8Å
323	K	32.8	Very low	35.5	Very low	184 Å²	184	132.7 Å²	132.7	80%	0.8	73%	0.733	S	S	*	*			trans	-83	106.9	162.6	-113.6	176.8	-177.8	174.7	0	107.9	N321 Q325	N321-K323 VanDerWaalsContact C-N 3.27Å; N321-K323 PolarHBondContact O-N 3.19Å; K323-Q325 PolarHBondContact O-N 2.84Å; K323-Q325 VanDerWaalsContact O-N 3.12Å
324	A	39.5	Very low	34.2	Very low	101 Å²	101	131.9 Å²	131.9	84%	0.835	73%	0.727	S	S	*	*			trans	-43.8	113.8	162.1	0	0	0	0	0	109.8	S322 S326	S322-A324 PolarHBondContact O-N 2.8Å; A324-S326 PolarHBondContact O-N 3.05Å
325	Q	31.1	Very low	33.8	Very low	190 Å²	190	128.7 Å²	128.7	89%	0.888	72%	0.722	S	S	*	*			trans	-93.5	95.9	167	-122.9	174	0.3	0	0	107.7	K323 G327	K323-Q325 PolarHBondContact O-N 2.84Å; K323-Q325 VanDerWaalsContact O-N 3.12Å; Q325-G327 VanDerWaalsContact C-N 3.27Å; Q325-G327 PolarHBondContact O-N 3.21Å
326	S	33	Very low	32.7	Very low	125 Å²	125	135 Å²	135	87%	0.874	76%	0.755	S	S	*	*			trans	-56.9	96.1	151.1	151.3	0	0	0	0	107.7	A324	A324-S326 PolarHBondContact O-N 3.05Å
327	G	27.9	Very low	32	Very low	52 Å²	52	129.6 Å²	129.6	54%	0.536	75%	0.75	S	S	.	*			trans	-118.3	114.7	167.5	0	0	0	0	0	108.8	Q325 F329	Q325-G327 VanDerWaalsContact C-N 3.27Å; Q325-G327 PolarHBondContact O-N 3.21Å; G327-F329 PolarHBondContact O-N 2.87Å; G327-F329 VanDerWaalsContact O-N 3.12Å
328	K	25.6	Very low	31	Very low	215 Å²	215	134.5 Å²	134.5	94%	0.935	77%	0.774	S	S	*	*			trans	-47.4	112.7	171.8	-80.1	171.3	171.3	175.4	0	110.4
329	F	24.6	Very low	30.5	Very low	203 Å²	203	136.4 Å²	136.4	89%	0.89	78%	0.778	S	S	*	*			trans	-88.4	126.4	156.4	-88.4	-87.3	0	0	0	108.6	G327	G327-F329 PolarHBondContact O-N 2.87Å; G327-F329 VanDerWaalsContact O-N 3.12Å
330	S	24.5	Very low	29.5	Very low	112 Å²	112	139.2 Å²	139.2	78%	0.783	79%	0.792	S	S	*	*			trans	-65.2	134.5	170.5	-172	0	0	0	0	109.4
331	S	23	Very low	29.2	Very low	93 Å²	93	137.6 Å²	137.6	65%	0.65	80%	0.795	S	S	*	*			trans	-42.2	140.5	170.8	50.8	0	0	0	0	114.3
332	T	26.3	Very low	28.9	Very low	127 Å²	127	140.5 Å²	140.5	78%	0.779	80%	0.801	S	S	*	*				-174.3	136.6	103.7	29.3	0	0	0	0	111.8
333	E	25.3	Very low	28.2	Very low	187 Å²	187	140.5 Å²	140.5	87%	0.874	80%	0.799	S	S	*	*			trans	80.3	96.5	156.5	-64.9	-179.9	178	0	0	120.7
334	S	23.9	Very low	27.8	Very low	108 Å²	108	137.4 Å²	137.4	76%	0.755	80%	0.8	S	S	*	*			trans	-73.4	168.7	141.7	55.9	0	0	0	0	110.5
335	P	36.5	Very low	27.8	Very low	104 Å²	104	138.7 Å²	138.7	68%	0.675	80%	0.799	S	S	*	*			cis	-150.4	171.6	27.5	36.2	-12.1	0	0	0	119.3
336	L	28.6	Very low	27.5	Very low	179 Å²	179	132.7 Å²	132.7	94%	0.937	79%	0.789	S	S	*	*			trans	54.7	132.2	146.9	-90.9	95.4	0	0	0	121.8
337	G	26.1	Very low	27.2	Very low	76 Å²	76	133.5 Å²	133.5	78%	0.784	78%	0.783	S	S	*	*			trans	151.7	116.1	146.7	0	0	0	0	0	115.4
338	D	25.1	Very low	27.3	Very low	157 Å²	157	137.4 Å²	137.4	84%	0.84	79%	0.792	S	S	*	*			trans	-55.7	172.4	177	-69	-59.7	0	0	0	116.8
339	I	27.9	Very low	27.5	Very low	167 Å²	167	133.8 Å²	133.8	86%	0.856	78%	0.783	S	S	*	*			trans	110.7	109.4	148.8	-54.5	172.2	0	0	0	116.9
340	I	25.5	Very low	27.7	Very low	149 Å²	149	133.5 Å²	133.5	76%	0.764	78%	0.781	S	S	*	*			trans	-73.3	160.5	153.3	-61.5	169.8	0	0	0	108.7
341	P	37.2	Very low	28.1	Very low	100 Å²	100	134 Å²	134	65%	0.649	79%	0.785	S	S	*	*			cis	-132.6	179.3	-10	27.9	-6.4	0	0	0	113.6
342	K	25.6	Very low	28.4	Very low	204 Å²	204	134.1 Å²	134.1	89%	0.887	79%	0.786	S	S	*	*				173	142.5	118.1	-96.5	169.1	180	176	0	113.4
343	C	23	Very low	28.5	Very low	117 Å²	117	135.1 Å²	135.1	79%	0.791	79%	0.785	S	S	*	*			trans	-85.6	149.3	177.2	-65.3	0	0	0	0	113.5
344	C	22.9	Very low	28.6	Very low	120 Å²	120	133.7 Å²	133.7	81%	0.811	78%	0.782	S	S	*	*			trans	70.2	160.3	148.2	-63.7	0	0	0	0	118.5
345	P	39.3	Very low	28.7	Very low	127 Å²	127	134.5 Å²	134.5	83%	0.825	79%	0.788	S	S	*	*			cis	-143	179.2	14.5	39.6	-19.2	0	0	0	117.9
346	G	26.6	Very low	28.3	Very low	65 Å²	65	133 Å²	133	67%	0.67	79%	0.791	S	S	*	*			trans	93.1	150.8	143.9	0	0	0	0	0	116.7
347	D	26.8	Very low	28.2	Very low	141 Å²	141	132.2 Å²	132.2	75%	0.754	79%	0.788	S	S	*	*			cis	179.3	139.7	-12	-115.4	-21.3	0	0	0	104.5
348	N	29.6	Very low	28.3	Very low	135 Å²	135	133.7 Å²	133.7	72%	0.722	79%	0.786	S	S	*	*			trans	60.3	146	156.3	-53.9	-40.1	0	0	0	117.8
349	D	29.5	Very low	28.5	Very low	139 Å²	139	137 Å²	137	74%	0.743	79%	0.787	S	S	*	*			cis	-152	136.4	38.3	-85.5	-53.5	0	0	0	109
350	K	28.7	Very low	28.4	Very low	196 Å²	196	137.3 Å²	137.3	85%	0.852	78%	0.784	S	S	*	*				36	108.1	92.4	-78	-176	-178.5	172.9	0	115.7
351	S	32.8	Very low	28.5	Very low	124 Å²	124	137.5 Å²	137.5	87%	0.867	79%	0.786	S	S	*	*				-169.1	166.5	123.6	55.8	0	0	0	0	110.5
352	S	28.7	Very low	28.1	Very low	95 Å²	95	138 Å²	138	66%	0.664	79%	0.787	S	S	*	*			trans	-150.1	146.7	-141.2	51.5	0	0	0	0	109.2
353	I	27.9	Very low	28.2	Very low	148 Å²	148	135.9 Å²	135.9	76%	0.759	79%	0.785	S	S	*	*			trans	83.2	144	139.8	-67	162.6	0	0	0	119.9
354	L	28.7	Very low	28.3	Very low	157 Å²	157	137.8 Å²	137.8	82%	0.822	79%	0.787	S	S	*	*			trans	87	105.3	167.7	-70.8	140.2	0	0	0	116.3
355	S	26.8	Very low	29.3	Very low	124 Å²	124	137 Å²	137	87%	0.867	78%	0.781	S	S	*	*				69.2	122.4	64.8	-161.8	0	0	0	0	114.1
356	G	26.5	Very low	29.3	Very low	72 Å²	72	137 Å²	137	74%	0.742	78%	0.781	S	S	*	*			trans	157.2	90.2	166.6	0	0	0	0	0	117.2
357	N	27.5	Very low	29.4	Very low	164 Å²	164	143.5 Å²	143.5	88%	0.877	79%	0.791	S	S	*	*			trans	14.9	125.7	150	-73.1	-19.6	0	0	0	123.1
358	S	27.4	Very low	29.3	Very low	106 Å²	106	147.1 Å²	147.1	74%	0.741	80%	0.8	S	S	*	*				39.9	116.7	120	-166.7	0	0	0	0	120.8
359	R	29.2	Very low	29.2	Very low	226 Å²	226	149.8 Å²	149.8	85%	0.853	81%	0.805	S	S	*	*				176.4	130.4	105.9	-92.8	177.5	-175	177.2	1.9	113.3
360	Q	26.9	Very low	29.1	Very low	174 Å²	174	152 Å²	152	81%	0.813	81%	0.811	S	S	*	*			trans	32.8	135.7	143.7	-64.9	-178.9	-25.8	0	0	122.3
361	I	28.1	Very low	28.9	Very low	154 Å²	154	150.6 Å²	150.6	79%	0.79	81%	0.813	S	S	*	*				-178.2	124.5	110.2	-88	160.9	0	0	0	111.9
362	T	27.1	Very low	28.5	Very low	110 Å²	110	153.3 Å²	153.3	68%	0.675	81%	0.814	S	S	*	*			trans	27.6	130.2	149.9	68.2	0	0	0	0	123.9
363	N	27.5	Very low	28.6	Very low	159 Å²	159	154.5 Å²	154.5	85%	0.85	82%	0.823	S	S	*	*				-171.8	141.9	105.7	-87.5	-25.8	0	0	0	112.2
364	N	26	Very low	28.5	Very low	157 Å²	157	156.8 Å²	156.8	84%	0.84	83%	0.827	S	S	*	*			trans	-122.4	176.3	177.8	-109.9	-12.2	0	0	0	107.5
365	P	43.8	Very low	28.3	Very low	105 Å²	105	157.4 Å²	157.4	68%	0.682	83%	0.829	S	S	*	*			cis	-135.3	-153.5	-31.5	43.1	-22.5	0	0	0	110.1
366	P	40.3	Very low	28.1	Very low	127 Å²	127	160.4 Å²	160.4	83%	0.825	83%	0.827	S	S	*	*				-144.4	175.6	54.3	33.6	-8.1	0	0	0	118.1
367	K	27.4	Very low	27.9	Very low	201 Å²	201	167.6 Å²	167.6	87%	0.874	83%	0.833	S	S	*	*			trans	-78.9	160.5	-169.7	-64	166	172.6	169.9	0	116.3
368	K	25.8	Very low	27.7	Very low	217 Å²	217	165.7 Å²	165.7	94%	0.943	83%	0.827	S	S	*	*				-161.2	148.8	123.6	-107.7	177	-176.1	-177.1	0	113.3
369	K	26.1	Very low	27.5	Very low	190 Å²	190	168.7 Å²	168.7	83%	0.826	83%	0.83	S	S	*	*			trans	-92.2	160.5	-169.2	-71.1	172.5	168.2	179.1	0	112.8
370	E	27.2	Very low	27.2	Very low	185 Å²	185	167.4 Å²	167.4	86%	0.864	83%	0.833	S	S	*	*			trans	-178.2	113.3	130	-99.3	166.2	-162.5	0	0	108.8
371	N	26.2	Very low	26.9	Very low	168 Å²	168	167 Å²	167	90%	0.898	83%	0.832	S	S	*	*				82.5	132.4	82.2	-96.2	3.8	0	0	0	116.1
372	M	24.6	Very low	26.6	Very low	181 Å²	181	165.2 Å²	165.2	89%	0.892	83%	0.833	S	S	*	*			trans	-115.3	135.6	-166.9	174.5	-179.7	56	0	0	108.7
373	S	30.7	Very low	26.4	Very low	120 Å²	120	165.8 Å²	165.8	84%	0.839	84%	0.836	S	S	*	*			trans	-138.4	134.5	168.6	55.3	0	0	0	0	112.1
374	K	25.3	Very low	26.3	Very low	195 Å²	195	166.8 Å²	166.8	85%	0.848	83%	0.833	S	S	*	*			trans	-81.3	149.5	174.2	-71.3	169.8	173.1	171.8	0	110.1
375	I	24.9	Very low	26.2	Very low	170 Å²	170	165.8 Å²	165.8	87%	0.872	83%	0.828	S	S	*	*			trans	-130.2	136.2	149.1	-61.9	179.2	0	0	0	108
376	K	22	Very low	25.2	Very low	188 Å²	188	169.2 Å²	169.2	82%	0.817	83%	0.834	S	S	*	*			trans	-134.7	129.4	-173.1	-167.9	-166.4	-162.5	-167.9	0	106.6
377	Y	23	Very low	24.5	Very low	223 Å²	223	170 Å²	170	88%	0.875	84%	0.837	S	S	*	*			trans	-175	139	156.2	-79.5	-61.6	0	0	0	106.1
378	T	22.3	Very low	24.6	Very low	123 Å²	123	169.1 Å²	169.1	76%	0.755	84%	0.836	S	S	*	*			cis	-160.3	141	-13.7	-61.3	0	0	0	0	104.3
379	Q	22.3	Very low	24.7	Very low	170 Å²	170	166.8 Å²	166.8	79%	0.794	83%	0.834	S	S	*	*			trans	-77	142.6	171.7	-78.3	174.5	-43.4	0	0	110.9
380	Q	22.9	Very low	24.7	Very low	199 Å²	199	166.7 Å²	166.7	93%	0.93	83%	0.833	S	S	*	*			trans	-126.1	109.4	149.7	-134.5	174.1	-2.8	0	0	106.9
381	E	20.9	Very low	24.8	Very low	166 Å²	166	166.3 Å²	166.3	78%	0.776	83%	0.832	S	S	*	*			trans	-76.2	138.4	171.6	-78.9	178.8	142	0	0	110
382	S	23.3	Very low	24.8	Very low	116 Å²	116	165.4 Å²	165.4	81%	0.811	83%	0.827	S	S	*	*			trans	-143.7	129	134.7	57.9	0	0	0	0	110.3
383	T	22.2	Very low	24.9	Very low	121 Å²	121	164 Å²	164	74%	0.742	82%	0.823	S	S	*	*			trans	-56.6	158.7	169.6	41.9	0	0	0	0	110.8
384	K	25.4	Very low	24.7	Very low	181 Å²	181	161.5 Å²	161.5	79%	0.787	82%	0.816	S	S	*	*			cis	-175.4	162.7	21.7	-129.8	176.7	-177.5	179	0	108.8
385	N	23.2	Very low	25.3	Very low	136 Å²	136	157.7 Å²	157.7	73%	0.727	81%	0.811	S	S	*	*			trans	97.3	99.6	148.5	-64.1	-2.4	0	0	0	121.2
386	E	24.3	Very low	25.5	Very low	177 Å²	177	157.8 Å²	157.8	83%	0.827	81%	0.812	S	S	*	*			trans	-0.6	135.9	142.6	-59	173.8	157.2	0	0	120.2
387	T	25	Very low	25.8	Very low	142 Å²	142	152 Å²	152	87%	0.871	81%	0.806	S	S	*	*				-166.4	116.1	108.7	15.5	0	0	0	0	110.5
388	Q	28.8	Very low	26.1	Very low	184 Å²	184	148.3 Å²	148.3	86%	0.86	81%	0.807	S	S	*	*			trans	-76.8	127.2	170	-75	177.2	-15.7	0	0	109.2
389	N	27.5	Very low	26.8	Very low	168 Å²	168	151.2 Å²	151.2	90%	0.898	82%	0.817	S	S	*	*			trans	-124.8	122.3	158.4	-103	-20.1	0	0	0	110.5
390	K	27.6	Very low	26.9	Very low	187 Å²	187	148.2 Å²	148.2	81%	0.813	82%	0.815	S	S	*	*			trans	-70.9	135.2	179.7	-69.5	167.6	174.4	172.8	0	109.7
391	Q	27.6	Very low	27.2	Very low	178 Å²	178	145.5 Å²	145.5	83%	0.832	81%	0.807	S	S	*	*			trans	-108.2	110.8	169.9	-154.4	155.9	-2.9	0	0	108.3
392	N	26.7	Very low	27.4	Very low	149 Å²	149	145.1 Å²	145.1	80%	0.797	81%	0.81	S	S	*	*			trans	-89.4	133.4	170.8	-74	-31.9	0	0	0	107.8
393	D	27.9	Very low	27.7	Very low	152 Å²	152	147.6 Å²	147.6	81%	0.813	81%	0.813	S	S	*	*			trans	-128.2	132.3	170.3	-88.9	-31.1	0	0	0	112.2
394	G	25.1	Very low	28	Very low	67 Å²	67	149.4 Å²	149.4	69%	0.691	82%	0.818	S	S	*	*			trans	164.9	155.7	158.7	0	0	0	0	0	110.9
395	P	39.3	Very low	28.2	Very low	114 Å²	114	151 Å²	151	74%	0.74	83%	0.825	S	S	*	*			cis	-132.2	-178.2	-39.4	35	-17.1	0	0	0	112.6
396	L	29.1	Very low	28.3	Very low	172 Å²	172	148.9 Å²	148.9	90%	0.901	83%	0.827	S	S	*	*			trans	84	102.6	169.3	-99.4	83.6	0	0	0	120.1
397	G	27.9	Very low	28.6	Very low	67 Å²	67	148.8 Å²	148.8	69%	0.691	83%	0.831	S	S	*	*				76.7	104	118	0	0	0	0	0	119.1
398	T	29.2	Very low	28.5	Very low	145 Å²	145	151 Å²	151	89%	0.89	83%	0.832	S	S	*	*				174.5	127.8	119.1	30.4	0	0	0	0	109.2	S400	T398-S400 PolarHBondContact O-N 3.26Å
399	L	36.2	Very low	28.4	Very low	184 Å²	184	150 Å²	150	96%	0.963	83%	0.832	S	S	*	*			trans	-67.5	116.1	167.2	-89.1	145.4	0	0	0	108.8
400	S	25.6	Very low	28.4	Very low	107 Å²	107	150.6 Å²	150.6	75%	0.748	83%	0.834	S	S	*	*			trans	-124.7	122.6	159.2	-172	0	0	0	0	109.2	T398	T398-S400 PolarHBondContact O-N 3.26Å
401	N	28.9	Very low	28.3	Very low	143 Å²	143	149.7 Å²	149.7	77%	0.765	84%	0.839	S	S	*	*			trans	-50.9	138.4	164.9	-67.5	-26	0	0	0	110.3
402	N	25.3	Very low	28.6	Very low	157 Å²	157	146.7 Å²	146.7	84%	0.84	83%	0.834	S	S	*	*			trans	-177.1	84.8	143.2	-86.8	-24.5	0	0	0	108.7
403	L	29.4	Very low	28.5	Very low	169 Å²	169	148.4 Å²	148.4	89%	0.885	84%	0.837	S	S	*	*			trans	-116.6	80.6	150.8	-169	79.7	0	0	0	106
404	D	29.3	Very low	28.4	Very low	159 Å²	159	150.2 Å²	150.2	85%	0.85	84%	0.838	S	S	*	*			trans	-159.9	81.6	162.8	-89.6	-30.7	0	0	0	107.4
405	K	27.6	Very low	28.4	Very low	213 Å²	213	153.9 Å²	153.9	93%	0.926	84%	0.841	S	S	*	*			trans	-159.6	70.6	160.6	-127.6	179	-175	-177.4	0	111.3
406	A	26.3	Very low	27.7	Very low	93 Å²	93	157 Å²	157	77%	0.769	85%	0.846	S	S	*	*	S	Bend	trans	-160	72.6	157.5	0	0	0	0	0	109.7
407	L	30.4	Very low	27.5	Very low	174 Å²	174	156.2 Å²	156.2	91%	0.911	84%	0.842	S	S	*	*			trans	-173.2	66.9	156.7	-104.2	148.3	0	0	0	110.6
408	E	23.6	Very low	27.8	Very low	189 Å²	189	158.3 Å²	158.3	88%	0.883	84%	0.844	S	S	*	*			trans	-141.3	102.3	158.1	-79.2	-171.8	164	0	0	108.2
409	N	25.3	Very low	27.7	Very low	164 Å²	164	160.4 Å²	160.4	88%	0.877	84%	0.844	S	S	*	*			trans	-164.7	75.4	157	-101.7	-10.9	0	0	0	108.7
410	L	27.6	Very low	27.1	Very low	179 Å²	179	156.2 Å²	156.2	94%	0.937	83%	0.83	S	S	*	*			trans	-145.3	123.2	153.7	-74.7	179.2	0	0	0	108.4
411	N	26.6	Very low	27	Very low	169 Å²	169	156 Å²	156	90%	0.904	83%	0.828	S	S	*	*			trans	-93.3	147.9	177.6	-136.8	12.7	0	0	0	109.4
412	P	33.4	Very low	26.9	Very low	114 Å²	114	155.3 Å²	155.3	74%	0.74	83%	0.829	S	S	*	*			trans	-108.3	149.5	-175.2	37.5	-28.2	0	0	0	114.3
413	E	24	Very low	27	Very low	185 Å²	185	152.5 Å²	152.5	86%	0.864	83%	0.828	S	S	*	*			trans	-131.5	125.3	156	-95.1	-173.5	159.2	0	0	110.7
414	F	26.1	Very low	26.8	Very low	190 Å²	190	149.5 Å²	149.5	83%	0.833	82%	0.821	S	S	*	*			trans	29.9	129.7	153.5	-76.3	-90.9	0	0	0	122.9
415	I	26.3	Very low	26.6	Very low	144 Å²	144	149.5 Å²	149.5	74%	0.738	82%	0.821	S	S	*	*				177.2	127.5	105.7	-85.4	166.2	0	0	0	111.5
416	E	23.4	Very low	26.7	Very low	180 Å²	180	149.5 Å²	149.5	84%	0.841	82%	0.821	S	S	*	*			trans	55.2	128.6	147.7	-65.6	171	174.1	0	0	125.1
417	N	25.7	Very low	26.8	Very low	155 Å²	155	155 Å²	155	83%	0.829	83%	0.827	S	S	*	*			trans	-82.8	166.4	156.3	-68.2	-43	0	0	0	110.3
418	P	34.1	Very low	26.6	Very low	112 Å²	112	156.2 Å²	156.2	73%	0.727	83%	0.825	S	S	*	*				-147.7	147.7	86.3	33.9	-13.9	0	0	0	116.9
419	E	26.4	Very low	26.8	Very low	189 Å²	189	157.3 Å²	157.3	88%	0.883	83%	0.827	S	S	*	*			trans	60.5	148.7	134.6	-69.7	-175.4	176.8	0	0	121.3
420	S	23.3	Very low	26.8	Very low	96 Å²	96	158.9 Å²	158.9	67%	0.671	83%	0.826	S	S	*	*			cis	-167.9	163	10.1	48.4	0	0	0	0	112
421	S	24.4	Very low	26.6	Very low	101 Å²	101	157 Å²	157	71%	0.706	83%	0.827	S	S	*	*			trans	75.2	137.6	145.2	75.6	0	0	0	0	119
422	T	26.7	Very low	26.7	Very low	129 Å²	129	154.4 Å²	154.4	79%	0.791	82%	0.821	S	S	*	*			cis	-168.4	143	8.8	9.2	0	0	0	0	110.4
423	A	26.1	Very low	26.4	Very low	98 Å²	98	159.6 Å²	159.6	81%	0.81	83%	0.832	S	S	*	*			trans	53.6	146.2	142.6	0	0	0	0	0	121.7
424	S	26.3	Very low	26.5	Very low	107 Å²	107	160.3 Å²	160.3	75%	0.748	83%	0.833	S	S	*	*			cis	-166.6	144.4	-11.5	60.6	0	0	0	0	110.5
425	N	25.8	Very low	26.4	Very low	158 Å²	158	157.9 Å²	157.9	85%	0.845	83%	0.833	S	S	*	*			trans	10.4	126	151.5	-67.4	-36.3	0	0	0	122.6
426	K	29.4	Very low	26.4	Very low	214 Å²	214	160.3 Å²	160.3	93%	0.93	84%	0.839	S	S	*	*				-148.8	144.8	129.8	-106	172.5	-168.6	177.8	0	111.6
427	K	27.4	Very low	26.5	Very low	208 Å²	208	158.8 Å²	158.8	90%	0.904	84%	0.835	S	S	*	*			trans	-75.3	136	-149.8	-68.6	168.9	170.9	172.7	0	115.3
428	K	27.3	Very low	26.5	Very low	200 Å²	200	158 Å²	158	87%	0.87	83%	0.831	S	S	*	*			trans	-76.5	126.8	164.2	-78.3	175.6	175.1	169.8	0	110.7
429	K	27.2	Very low	26.2	Very low	211 Å²	211	157 Å²	157	92%	0.917	83%	0.827	S	S	*	*			trans	-100.3	108.5	157.6	-89	-177.2	175.4	179	0	108.4
430	K	26.1	Very low	26.3	Very low	198 Å²	198	156.5 Å²	156.5	86%	0.861	82%	0.824	S	S	*	*			trans	-91.8	126.9	162.7	-92.9	-179	172.3	-179.2	0	107.5
431	C	22.2	Very low	26.3	Very low	140 Å²	140	157.3 Å²	157.3	95%	0.946	83%	0.829	S	S	*	*			trans	-101.7	114.9	163.4	-90.1	0	0	0	0	108.8
432	S	28.2	Very low	26.5	Very low	113 Å²	113	157.3 Å²	157.3	79%	0.79	83%	0.828	S	S	*	*			trans	-98.2	129.8	164.3	37.7	0	0	0	0	108.3
433	K	27.9	Very low	26.5	Very low	224 Å²	224	160.9 Å²	160.9	97%	0.974	83%	0.833	S	S	*	*			trans	-81.8	122.4	170.8	-90.2	-178	175.1	178.2	0	109
434	K	26.2	Very low	26.5	Very low	200 Å²	200	161.8 Å²	161.8	87%	0.87	83%	0.833	S	S	*	*			trans	-114.7	139.7	170.6	-148.4	178.9	-172.4	-177.6	0	108.3
435	T	24.8	Very low	26.6	Very low	138 Å²	138	166 Å²	166	85%	0.847	84%	0.841	S	S	*	*			trans	-60.3	143.1	173.4	-22.5	0	0	0	0	111.1
436	K	25	Very low	26.6	Very low	196 Å²	196	163.4 Å²	163.4	85%	0.852	84%	0.836	S	S	*	*			trans	-138.3	123.3	166.3	-133.5	-177	-178.4	-169.7	0	110.3
437	L	25.6	Very low	26.5	Very low	147 Å²	147	157.8 Å²	157.8	77%	0.77	82%	0.823	S	S	*	*			trans	-90.9	160.8	163.7	-138.9	96	0	0	0	108.2
438	D	25.5	Very low	26.6	Very low	138 Å²	138	153.6 Å²	153.6	74%	0.738	82%	0.815	S	S	*	*			trans	150.8	110.7	152.5	-75	-16	0	0	0	106.4
439	S	29.3	Very low	26.7	Very low	91 Å²	91	150.7 Å²	150.7	64%	0.636	81%	0.809	S	S	*	*			cis	77.3	106.1	43.8	83.9	0	0	0	0	116
440	H	28	Very low	26.9	Very low	180 Å²	180	148.6 Å²	148.6	83%	0.833	80%	0.802	S	S	*	*			trans	-169.3	112.9	138.4	-102.3	-71.5	0	0	0	108.2
441	C	23.2	Very low	27.3	Very low	113 Å²	113	145.2 Å²	145.2	76%	0.764	80%	0.797	S	S	*	*				74.9	134.7	86.7	-111.1	0	0	0	0	113.5
442	S	28.1	Very low	27.7	Very low	100 Å²	100	146.1 Å²	146.1	70%	0.699	79%	0.792	S	S	*	*			cis	-172.4	149.8	1.7	15.3	0	0	0	0	111.7
443	K	27.5	Very low	27.9	Very low	205 Å²	205	147.2 Å²	147.2	89%	0.891	78%	0.784	S	S	*	*			trans	26.2	133.4	144.9	-73.2	177.4	173.7	177.5	0	123.5
444	S	24.8	Very low	28	Very low	116 Å²	116	145.6 Å²	145.6	81%	0.811	78%	0.778	S	S	*	*				-174.5	117.9	111.2	49.6	0	0	0	0	109.2
445	Q	29.2	Very low	28.3	Very low	195 Å²	195	141.7 Å²	141.7	91%	0.911	77%	0.766	S	S	*	*				53.5	109.6	93.7	-100.8	-175	-2.5	0	0	117
446	S	24.9	Very low	28.9	Very low	105 Å²	105	142.9 Å²	142.9	73%	0.734	77%	0.765	S	S	*	*				144.3	132.3	112.6	-170.4	0	0	0	0	114.8
447	S	29.1	Very low	29.4	Very low	96 Å²	96	140.2 Å²	140.2	67%	0.671	76%	0.759	S	S	*	*			trans	61.4	139.5	146	52.7	0	0	0	0	119
448	T	29.5	Very low	30.2	Very low	120 Å²	120	138.5 Å²	138.5	74%	0.736	76%	0.757	S	S	*	*			cis	-179.5	166.9	21.6	11.3	0	0	0	0	109
449	L	28.7	Very low	30.7	Very low	139 Å²	139	140.3 Å²	140.3	73%	0.728	76%	0.763	S	S	*	*			trans	73.2	136.1	157.9	-99.2	68.3	0	0	0	116.6
450	Q	31.4	Very low	31	Very low	166 Å²	166	143 Å²	143	78%	0.776	77%	0.768	S	S	*	*			cis	-163.9	131.5	5.6	-145.7	161.9	13.3	0	0	107.1
451	V	33.7	Very low	31.2	Very low	127 Å²	127	145.2 Å²	145.2	77%	0.77	77%	0.77	S	S	*	*			trans	-82.8	132.2	171.2	171	0	0	0	0	108
452	L	31.5	Very low	31.7	Very low	160 Å²	160	147.8 Å²	147.8	84%	0.838	77%	0.774	S	S	*	*			trans	-123.9	118.7	160.7	-150.3	81.4	0	0	0	110.4
453	H	31.9	Very low	32	Very low	135 Å²	135	147.4 Å²	147.4	63%	0.625	77%	0.772	S	S	*	*			trans	-55	150.2	167.5	-88.7	-98.1	0	0	0	113.7
454	F	30.5	Very low	32.3	Very low	191 Å²	191	145 Å²	145	84%	0.838	77%	0.767	S	S	*	*				-157.4	91.9	126.2	-93.3	-73.9	0	0	0	107.1
455	L	32	Very low	32.7	Very low	117 Å²	117	144 Å²	144	61%	0.613	77%	0.766	S	S	*	*				67.5	97.8	90.1	-79.1	167.7	0	0	0	114.6
456	I	37.3	Very low	32.9	Very low	164 Å²	164	143 Å²	143	84%	0.841	76%	0.764	S	S	*	*			trans	-63.3	130.9	148.5	-63.6	163.9	0	0	0	107.9
457	I	34.9	Very low	33.5	Very low	139 Å²	139	146.7 Å²	146.7	71%	0.713	79%	0.789	S	S	*	*			trans	-136	142.9	159.3	-67.5	-173.1	0	0	0	108.7
458	P	43.9	Very low	33.7	Very low	112 Å²	112	149.3 Å²	149.3	73%	0.727	80%	0.795	S	S	*	*			trans	-94	170.7	-163.1	36	-27.3	0	0	0	113.8
459	M	35.9	Very low	33.9	Very low	175 Å²	175	150.8 Å²	150.8	86%	0.862	80%	0.799	S	S	*	*			trans	-40.9	137.2	161.5	-71.3	-89.7	-87.8	0	0	112.4
460	I	34.5	Very low	34.2	Very low	147 Å²	147	151.4 Å²	151.4	75%	0.754	80%	0.802	S	S	*	*			trans	155.2	123.9	136.5	-82.4	164	0	0	0	110.9
461	W	32.8	Very low	34.4	Very low	228 Å²	228	150.6 Å²	150.6	86%	0.864	80%	0.804	S	S	*	*			trans	82.7	112.4	163.9	-69.4	32.6	0	0	0	118.9
462	I	34.2	Very low	34.4	Very low	167 Å²	167	152.1 Å²	152.1	86%	0.856	81%	0.806	S	S	*	*				-154.4	109.2	117.6	-84.4	140.2	0	0	0	106.9
463	S	34.1	Very low	34.6	Very low	92 Å²	92	151.5 Å²	151.5	64%	0.643	80%	0.804	S	S	*	*			trans	-96.7	149.5	146.1	55.8	0	0	0	0	107.5
464	L	33.5	Very low	34.8	Very low	154 Å²	154	152.7 Å²	152.7	81%	0.806	82%	0.817	S	S	*	*			trans	110.4	129	169.3	-80	96.2	0	0	0	118.7
465	A	33.8	Very low	35.2	Very low	94 Å²	94	149.8 Å²	149.8	78%	0.777	82%	0.815	S	S	*	*			trans	74.3	116.7	163.5	0	0	0	0	0	115
466	M	31.7	Very low	35.4	Very low	175 Å²	175	152.5 Å²	152.5	86%	0.862	83%	0.832	S	S	*	*				-145.8	134.5	53.6	-64.6	-160.2	74.5	0	0	110.9
467	S	38.4	Very low	35.2	Very low	183 Å²	183	151.5 Å²	151.5	100%	1.28	83%	0.831	S	S	*	*				48.3	0	98.7	-166.8	0	0	0	0	113.8

Retrieved 467 of 467 residues in 78.2 ms (Link to these results)

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