A0A087XK58_POEFO Loading...

Crystallin, beta A1a

Crystallins are the dominant structural components of the vertebrate eye lens.

AlphaFold DB , UniProt , Accession A0A087XK58, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 196 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	34	Very low	44.4	Very low	244 Å²	244	128.3 Å²	128.3	100%	1.202	76%	0.763	S	S	*	*				0	113.5	0	-68.8	175.3	-159.1	0	0	106.5	L3	M1-L3 PolarHBondContact O-N 2.87Å
2	A	29.3	Very low	48.4	Very low	95 Å²	95	125.8 Å²	125.8	79%	0.785	73%	0.731	S	S	*	*			trans	-73.1	123.9	-178.3	0	0	0	0	0	109	N4	A2-N4 PolarHBondContact O-N 3.23Å
3	L	33.3	Very low	52.1	Low	161 Å²	161	120.5 Å²	120.5	84%	0.843	69%	0.694	S	S	*	*			trans	-64.9	114	167.8	-73.7	157.9	0	0	0	106.9	M1 N5	M1-L3 PolarHBondContact O-N 2.87Å; L3-N5 PolarHBondContact O-N 3.2Å
4	N	32.2	Very low	55.4	Low	159 Å²	159	111.9 Å²	111.9	85%	0.85	64%	0.644	S	S	*	*			trans	-65.8	89.8	169.4	-79.3	-22.8	0	0	0	107.7	A2 P6	A2-N4 PolarHBondContact O-N 3.23Å; N4-P6 WeakPolarHBondContact O-CD 3.39Å
5	N	29.8	Very low	58.3	Low	143 Å²	143	104.4 Å²	104.4	77%	0.765	60%	0.601	S	S	*	*			trans	-59.7	122.3	162.1	-82.4	-9.7	0	0	0	106.9	L3 T7	L3-N5 PolarHBondContact O-N 3.2Å; N5-T7 PolarHBondContact O-N 3.46Å
6	P	43.4	Very low	60.8	Low	120 Å²	120	98 Å²	98	78%	0.779	56%	0.564	S	S	*	*			trans	-58.6	128.8	170.8	25.5	-30.8	0	0	0	107.3	N4	N4-P6 WeakPolarHBondContact O-CD 3.39Å
7	T	43.6	Very low	63	Low	125 Å²	125	93.5 Å²	93.5	77%	0.767	54%	0.536	S	S	*	.			trans	-38.6	135.5	170.9	0.1	0	0	0	0	109.5	N5 L9	N5-T7 PolarHBondContact O-N 3.46Å; T7-L9 PolarHBondContact O-N 2.71Å
8	P	43.8	Very low	64.9	Low	122 Å²	122	91.4 Å²	91.4	79%	0.792	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-58.1	118.5	173.5	7.6	-2.5	0	0	0	106.6	G10	P8-G10 PolarHBondContact O-N 2.61Å
9	L	56.1	Low	66.6	Low	93 Å²	93	92.2 Å²	92.2	49%	0.487	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-46.8	130.6	157.8	-70.6	151.3	0	0	0	104.6	T7 Q196	T7-L9 PolarHBondContact O-N 2.71Å; L9-Q196 HydrophobicContact CD1-CB 4.11Å; L9-Q196 HydrophobicContact CD1-CG 3.73Å
10	G	61.4	Low	68.2	Low	42 Å²	42	92 Å²	92	43%	0.433	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-50.7	168.6	174.6	0	0	0	0	0	110.4	P8 W12 C51	P8-G10 PolarHBondContact O-N 2.61Å; G10-W12 PolarHBondContact O-N 2.91Å; G10-C51 PolarHBondContact O-SG 3.07Å
11	P	82	Confident	69.6	Low	107 Å²	107	92 Å²	92	70%	0.695	52%	0.515	S	S	*	.	S	Bend	trans	-49.4	136.1	177	24.2	-34	0	0	0	109.8	K13	P11-K13 PolarHBondContact O-N 3.23Å
12	W	91.7	Very high	72.7	Confident	99 Å²	99	82.1 Å²	82.1	38%	0.375	47%	0.465	S	S	.	.			trans	-44.9	136.2	173.9	-72.4	-86.9	0	0	0	108.8	G10 T30 C51 W54 P96 C98	G10-W12 PolarHBondContact O-N 2.91Å; W12-T30 VanDerWaalsContact O-CA 3.22Å; W12-T30 WeakPolarHBondContact O-CA 3.21Å; W12-T30 WeakPolarHBondContact O-CB 3.46Å; W12-T30 WeakPolarHBondContact O-CG2 3.36Å; W12-C51 WeakPolarHBondContact CA-O 3.35Å; W12-W54 HydrophobicContact CB-CH2 4.45Å; W12-W54 HydrophobicContact CB-CZ2 3.63Å; W12-P96 HydrophobicContact CB-CG 4.39Å; W12-P96 HydrophobicContact CD2-CB 4.1Å; W12-P96 HydrophobicContact CG-CB 4Å; W12-P96 HydrophobicContact CG-CG 4.34Å; W12-C98 HydrophobicContact CH2-CB 4.39Å; W12-C98 HydrophobicContact CZ2-CB 4.2Å
13	K	97.1	Very high	75.9	Confident	56 Å²	56	83 Å²	83	24%	0.243	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	129.3	-178.8	-169.6	179.3	174.7	167.4	0	111.1	P11 E28 F29 E50 C51	P11-K13 PolarHBondContact O-N 3.23Å; K13-E28 WeakPolarHBondContact CE-OE2 3.39Å; K13-E28 IonicContact NZ-OE1 3.69Å; K13-E28 PolarHBondContact NZ-OE1 3.04Å; K13-E28 IonicContact NZ-OE2 2.71Å; K13-E28 PolarHBondContact NZ-OE2 3.22Å; K13-F29 WeakPolarHBondContact CA-O 3.31Å; K13-E50 HydrophobicContact CB-CB 4.25Å; K13-E50 HydrophobicContact CD-CB 4.26Å; K13-E50 HydrophobicContact CD-CG 4.44Å; K13-E50 HydrophobicContact CG-CB 4.38Å; K13-E50 WeakPolarHBondContact CG-OE2 3.37Å; K13-E50 PolarHBondContact O-N 2.86Å; K13-C51 HydrophobicContact CB-CB 4.22Å; K13-C51 PolarHBondContact N-O 2.74Å; K13-C51 PolarHBondContact O-N 3.08Å
14	I	98.3	Very high	79	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135.1	169.8	-171.9	174	0	0	0	109	V16 F29 L47 K48 V49 E50 W54 L69 F94	I14-V16 HydrophobicContact CD1-CG1 4.35Å; I14-V16 HydrophobicContact CG1-CG1 4.25Å; I14-F29 HydrophobicContact CG2-CB 3.81Å; I14-F29 PolarHBondContact N-O 2.81Å; I14-F29 PolarHBondContact O-N 2.6Å; I14-L47 HydrophobicContact CD1-CD1 4.21Å; I14-L47 HydrophobicContact CD1-CD2 4.46Å; I14-L47 HydrophobicContact CG1-CD1 4.46Å; I14-K48 CarbonylContact C-O 3.55Å; I14-K48 WeakPolarHBondContact CA-O 3.36Å; I14-K48 WeakPolarHBondContact CG1-O 3.27Å; I14-V49 HydrophobicContact CD1-CG2 4.14Å; I14-V49 HydrophobicContact CG1-CG2 4.11Å; I14-E50 WeakPolarHBondContact CA-OE2 3.17Å; I14-W54 HydrophobicContact CB-CD2 4.04Å; I14-W54 HydrophobicContact CB-CE3 4.49Å; I14-W54 HydrophobicContact CB-CG 4.43Å; I14-W54 HydrophobicContact CB-CH2 4.47Å; I14-W54 HydrophobicContact CB-CZ2 4Å; I14-W54 HydrophobicContact CD1-CB 4.47Å; I14-W54 HydrophobicContact CD1-CD2 4.46Å; I14-W54 HydrophobicContact CD1-CG 4.35Å; I14-W54 HydrophobicContact CG2-CD2 3.84Å; I14-W54 HydrophobicContact CG2-CE3 3.8Å; I14-W54 HydrophobicContact CG2-CH2 3.56Å; I14-W54 HydrophobicContact CG2-CZ2 3.58Å; I14-W54 HydrophobicContact CG2-CZ3 3.67Å; I14-L69 HydrophobicContact CD1-CD1 4.01Å; I14-F94 HydrophobicContact CG2-CD2 4.08Å; I14-F94 HydrophobicContact CG2-CE2 3.78Å
15	T	98.4	Very high	82.1	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.4	171	-59.4	0	0	0	0	109.1	Y17 R26 L27 E28 L47 K48 E50	T15-Y17 HydrophobicContact CG2-CD2 4.31Å; T15-Y17 HydrophobicContact CG2-CE2 3.51Å; T15-R26 HydrophobicContact CG2-CG 3.62Å; T15-L27 CarbonylContact C-O 3.56Å; T15-L27 WeakPolarHBondContact CA-O 3.45Å; T15-E28 HydrophobicContact CG2-CG 4.3Å; T15-L47 CarbonylContact O-C 3.54Å; T15-L47 WeakPolarHBondContact O-CA 3.34Å; T15-L47 WeakPolarHBondContact O-CB 3.46Å; T15-K48 PolarHBondContact N-O 3.38Å; T15-K48 PolarHBondContact O-N 2.86Å; T15-E50 WeakPolarHBondContact CB-OE1 3.39Å; T15-E50 PolarHBondContact N-OE2 3.17Å; T15-E50 PolarHBondContact OG1-OE1 2.74Å
16	V	98.3	Very high	85.3	Confident	2 Å²	2	72.8 Å²	72.8	1%	0.012	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	152	178.8	-53.7	0	0	0	0	111.1	I14 R26 L27 F29 I44 L47 F94	I14-V16 HydrophobicContact CD1-CG1 4.35Å; I14-V16 HydrophobicContact CG1-CG1 4.25Å; V16-R26 WeakPolarHBondContact O-CA 3.34Å; V16-L27 HydrophobicContact CG2-CB 4.07Å; V16-L27 PolarHBondContact N-O 3.19Å; V16-L27 PolarHBondContact O-N 3.2Å; V16-F29 HydrophobicContact CG2-CD2 4.27Å; V16-F29 HydrophobicContact CG2-CE2 3.67Å; V16-I44 HydrophobicContact CB-CD1 4.15Å; V16-I44 HydrophobicContact CB-CG1 4.02Å; V16-I44 HydrophobicContact CB-CG2 4.08Å; V16-I44 HydrophobicContact CG1-CD1 3.85Å; V16-I44 HydrophobicContact CG1-CG1 4.28Å; V16-I44 HydrophobicContact CG1-CG2 4.36Å; V16-I44 HydrophobicContact CG2-CG1 4.35Å; V16-L47 HydrophobicContact CG1-CB 4.14Å; V16-F94 HydrophobicContact CG1-CE1 4.17Å; V16-F94 HydrophobicContact CG1-CZ 4.33Å
17	Y	98.3	Very high	87.9	Confident	22 Å²	22	69.2 Å²	69.2	9%	0.086	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.9	-177.2	-62.6	-96.7	0	0	0	110.6	T15 Q19 F22 Q23 K25 R26 R45 S46 K48	T15-Y17 HydrophobicContact CG2-CD2 4.31Å; T15-Y17 HydrophobicContact CG2-CE2 3.51Å; Y17-Q19 VanDerWaalsContact C-N 3.3Å; Y17-F22 HydrophobicContact CD1-CB 4.28Å; Y17-F22 WeakPolarHBondContact CD1-O 3.42Å; Y17-F22 HydrophobicContact CD2-CB 4.15Å; Y17-F22 HydrophobicContact CD2-CD1 4.03Å; Y17-F22 HydrophobicContact CE1-CB 3.99Å; Y17-F22 WeakPolarHBondContact CE1-O 3.46Å; Y17-F22 HydrophobicContact CE2-CB 3.89Å; Y17-F22 AromaticContact CE2-CD1 3.96Å; Y17-F22 HydrophobicContact CE2-CD1 3.96Å; Y17-F22 HydrophobicContact CE2-CG 4.38Å; Y17-F22 HydrophobicContact CG-CB 4.34Å; Y17-Q23 WeakPolarHBondContact CB-O 3.36Å; Y17-K25 VanDerWaalsContact CA-O 3.31Å; Y17-K25 WeakPolarHBondContact CA-O 3.17Å; Y17-R26 HydrophobicContact CD1-CB 3.96Å; Y17-R26 HydrophobicContact CD1-CG 4.17Å; Y17-R26 HydrophobicContact CE1-CB 3.76Å; Y17-R26 HydrophobicContact CE1-CG 3.6Å; Y17-R26 PolarHBondContact OH-NE 2.96Å; Y17-R45 PolarHBondContact O-N 2.84Å; Y17-S46 WeakPolarHBondContact CB-O 3.21Å; Y17-S46 WeakPolarHBondContact CB-OG 3.49Å; Y17-S46 PolarHBondContact N-O 2.8Å; Y17-S46 PolarHBondContact O-N 3Å; Y17-K48 HydrophobicContact CE2-CG 4.38Å
18	D	97.3	Very high	90.5	Very high	56 Å²	56	67.7 Å²	67.7	30%	0.299	36%	0.355	S	S	.	.	S	Bend	trans	-82.9	-5.4	177.3	73.2	-11.5	0	0	0	113.8	G24 K25 V41 R45	D18-G24 VanDerWaalsContact OD1-CA 3.31Å; D18-G24 WeakPolarHBondContact OD1-CA 3.36Å; D18-K25 HydrophobicContact CB-CB 4.33Å; D18-K25 PolarHBondContact N-O 3.16Å; D18-K25 VanDerWaalsContact N-O 3.17Å; D18-K25 PolarHBondContact OD1-N 3.43Å; D18-K25 VanDerWaalsContact OD2-CB 3.24Å; D18-K25 WeakPolarHBondContact OD2-CB 3.31Å; D18-V41 HydrophobicContact CB-CG1 4.21Å; D18-R45 WeakPolarHBondContact O-CG 3.24Å
19	Q	97.8	Very high	93.1	Very high	106 Å²	106	63.2 Å²	63.2	50%	0.495	32%	0.323	S	S	.	.	S	Bend	trans	-123.9	161.3	171	-63.3	176	29.2	0	0	111.3	Y17 Q23 S46	Y17-Q19 VanDerWaalsContact C-N 3.3Å; Q19-Q23 HydrophobicContact CB-CB 3.97Å; Q19-S46 PolarHBondContact O-N 2.9Å; Q19-S46 PolarHBondContact O-OG 3.1Å
20	E	97.6	Very high	95	Very high	88 Å²	88	62.9 Å²	62.9	41%	0.411	33%	0.325	S	S	.	.	S	Bend	trans	-67.3	164.8	174.9	-65.1	-175.8	170	0	0	111.2	F22 Q23 R45 P75 H76	E20-F22 PolarHBondContact O-N 2.89Å; E20-F22 VanDerWaalsContact O-N 3.16Å; E20-Q23 PolarHBondContact O-N 3.05Å; E20-R45 HydrophobicContact CG-CB 4.19Å; E20-P75 WeakPolarHBondContact CA-O 3.49Å; E20-H76 HydrophobicContact CG-CB 4.36Å
21	N	98.1	Very high	96.7	Very high	91 Å²	91	64.3 Å²	64.3	49%	0.487	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	35.1	175.5	-55.8	-65.7	0	0	0	113.7	Q23 P75	N21-Q23 VanDerWaalsContact C-N 3.34Å; N21-Q23 PolarHBondContact O-N 3.42Å; N21-Q23 PolarHBondContact O-NE2 3.37Å; N21-Q23 VanDerWaalsContact O-NE2 3.1Å; N21-P75 PolarHBondContact N-O 3.05Å
22	F	98.3	Very high	97.4	Very high	38 Å²	38	61.5 Å²	61.5	17%	0.167	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	36.9	174	-37.4	-64.7	0	0	0	113.8	Y17 E20 S46 L47 K48 E73 P75	Y17-F22 HydrophobicContact CD1-CB 4.28Å; Y17-F22 WeakPolarHBondContact CD1-O 3.42Å; Y17-F22 HydrophobicContact CD2-CB 4.15Å; Y17-F22 HydrophobicContact CD2-CD1 4.03Å; Y17-F22 HydrophobicContact CE1-CB 3.99Å; Y17-F22 WeakPolarHBondContact CE1-O 3.46Å; Y17-F22 HydrophobicContact CE2-CB 3.89Å; Y17-F22 AromaticContact CE2-CD1 3.96Å; Y17-F22 HydrophobicContact CE2-CD1 3.96Å; Y17-F22 HydrophobicContact CE2-CG 4.38Å; Y17-F22 HydrophobicContact CG-CB 4.34Å; E20-F22 PolarHBondContact O-N 2.89Å; E20-F22 VanDerWaalsContact O-N 3.16Å; F22-S46 VanDerWaalsContact CA-OG 3.31Å; F22-S46 WeakPolarHBondContact CA-OG 3.13Å; F22-S46 PolarHBondContact N-OG 3.13Å; F22-L47 WeakPolarHBondContact CE1-O 3.49Å; F22-K48 HydrophobicContact CD1-CD 4.21Å; F22-K48 HydrophobicContact CD1-CG 3.74Å; F22-K48 HydrophobicContact CE1-CD 4.41Å; F22-K48 HydrophobicContact CE1-CG 3.71Å; F22-K48 HydrophobicContact CG-CD 4.49Å; F22-K48 HydrophobicContact CG-CG 4.48Å; F22-K48 HydrophobicContact CZ-CG 4.43Å; F22-E73 HydrophobicContact CE1-CB 4.41Å; F22-E73 HydrophobicContact CE2-CB 4.43Å; F22-E73 HydrophobicContact CZ-CB 3.74Å; F22-E73 HydrophobicContact CZ-CG 4.45Å; F22-P75 HydrophobicContact CE2-CB 4.17Å; F22-P75 HydrophobicContact CZ-CB 3.88Å
23	Q	98.2	Very high	97.7	Very high	113 Å²	113	57.2 Å²	57.2	53%	0.528	30%	0.299	S	S	.	.			trans	-106.1	173.4	-180	-59.3	-54.2	-49.9	0	0	112.4	Y17 Q19 E20 N21	Y17-Q23 WeakPolarHBondContact CB-O 3.36Å; Q19-Q23 HydrophobicContact CB-CB 3.97Å; E20-Q23 PolarHBondContact O-N 3.05Å; N21-Q23 VanDerWaalsContact C-N 3.34Å; N21-Q23 PolarHBondContact O-N 3.42Å; N21-Q23 PolarHBondContact O-NE2 3.37Å; N21-Q23 VanDerWaalsContact O-NE2 3.1Å
24	G	97.3	Very high	97.8	Very high	45 Å²	45	60.1 Å²	60.1	46%	0.464	31%	0.314	S	S	.	.	S	Bend	trans	75.6	-148.4	173.8	0	0	0	0	0	113.9	D18 R26	D18-G24 VanDerWaalsContact OD1-CA 3.31Å; D18-G24 WeakPolarHBondContact OD1-CA 3.36Å; G24-R26 PolarHBondContact O-N 3.35Å
25	K	97.4	Very high	97.7	Very high	73 Å²	73	61.3 Å²	61.3	32%	0.317	32%	0.32	S	S	.	.	S	Bend	trans	-68.5	127.1	179	-175.9	174	172.4	179.6	0	109.5	Y17 D18 C39 S40 V41	Y17-K25 VanDerWaalsContact CA-O 3.31Å; Y17-K25 WeakPolarHBondContact CA-O 3.17Å; D18-K25 HydrophobicContact CB-CB 4.33Å; D18-K25 PolarHBondContact N-O 3.16Å; D18-K25 VanDerWaalsContact N-O 3.17Å; D18-K25 PolarHBondContact OD1-N 3.43Å; D18-K25 VanDerWaalsContact OD2-CB 3.24Å; D18-K25 WeakPolarHBondContact OD2-CB 3.31Å; K25-C39 PolarHBondContact NZ-O 2.98Å; K25-S40 PolarHBondContact NZ-O 2.68Å; K25-V41 HydrophobicContact CD-CG2 4.1Å
26	R	97.7	Very high	97.7	Very high	131 Å²	131	61.4 Å²	61.4	49%	0.494	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.2	-177.3	177.7	-177.4	178.7	-109.3	-4.1	110.4	T15 V16 Y17 G24 E28	T15-R26 HydrophobicContact CG2-CG 3.62Å; V16-R26 WeakPolarHBondContact O-CA 3.34Å; Y17-R26 HydrophobicContact CD1-CB 3.96Å; Y17-R26 HydrophobicContact CD1-CG 4.17Å; Y17-R26 HydrophobicContact CE1-CB 3.76Å; Y17-R26 HydrophobicContact CE1-CG 3.6Å; Y17-R26 PolarHBondContact OH-NE 2.96Å; G24-R26 PolarHBondContact O-N 3.35Å; R26-E28 IonicContact CZ-OE1 2.71Å; R26-E28 IonicContact NH1-OE1 2.77Å; R26-E28 IonicContact NH2-OE1 3.05Å; R26-E28 PolarHBondContact NH2-OE1 3.38Å
27	L	98	Very high	97.6	Very high	44 Å²	44	66.1 Å²	66.1	23%	0.23	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.3	174.1	-64.2	179.4	0	0	0	110.6	T15 V16 F29 C39 V41	T15-L27 CarbonylContact C-O 3.56Å; T15-L27 WeakPolarHBondContact CA-O 3.45Å; V16-L27 HydrophobicContact CG2-CB 4.07Å; V16-L27 PolarHBondContact N-O 3.19Å; V16-L27 PolarHBondContact O-N 3.2Å; L27-F29 HydrophobicContact CB-CD2 4.37Å; L27-F29 HydrophobicContact CB-CE2 3.53Å; L27-F29 HydrophobicContact CB-CZ 4.06Å; L27-F29 HydrophobicContact CD1-CE2 4.26Å; L27-F29 HydrophobicContact CD1-CZ 4.05Å; L27-C39 HydrophobicContact CD1-CB 3.56Å; L27-V41 HydrophobicContact CD1-CG2 3.46Å; L27-V41 VanDerWaalsContact CD1-CG2 3.46Å; L27-V41 HydrophobicContact CG-CG2 4.3Å
28	E	97.8	Very high	97.5	Very high	93 Å²	93	72.3 Å²	72.3	44%	0.435	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	139.8	175.3	-58.5	-167.4	164.8	0	0	110.3	K13 T15 R26	K13-E28 WeakPolarHBondContact CE-OE2 3.39Å; K13-E28 IonicContact NZ-OE1 3.69Å; K13-E28 PolarHBondContact NZ-OE1 3.04Å; K13-E28 IonicContact NZ-OE2 2.71Å; K13-E28 PolarHBondContact NZ-OE2 3.22Å; T15-E28 HydrophobicContact CG2-CG 4.3Å; R26-E28 IonicContact CZ-OE1 2.71Å; R26-E28 IonicContact NH1-OE1 2.77Å; R26-E28 IonicContact NH2-OE1 3.05Å; R26-E28 PolarHBondContact NH2-OE1 3.38Å
29	F	97.8	Very high	97.3	Very high	28 Å²	28	71.6 Å²	71.6	12%	0.123	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.6	178.4	-62.1	-95.9	0	0	0	110.9	K13 I14 V16 L27 C33 C39 W54 F94	K13-F29 WeakPolarHBondContact CA-O 3.31Å; I14-F29 HydrophobicContact CG2-CB 3.81Å; I14-F29 PolarHBondContact N-O 2.81Å; I14-F29 PolarHBondContact O-N 2.6Å; V16-F29 HydrophobicContact CG2-CD2 4.27Å; V16-F29 HydrophobicContact CG2-CE2 3.67Å; L27-F29 HydrophobicContact CB-CD2 4.37Å; L27-F29 HydrophobicContact CB-CE2 3.53Å; L27-F29 HydrophobicContact CB-CZ 4.06Å; L27-F29 HydrophobicContact CD1-CE2 4.26Å; L27-F29 HydrophobicContact CD1-CZ 4.05Å; F29-C33 HydrophobicContact CD1-CB 4.05Å; F29-C33 HydrophobicContact CE1-CB 3.89Å; F29-C39 HydrophobicContact CZ-CB 4.48Å; F29-W54 HydrophobicContact CB-CH2 4.44Å; F29-F94 HydrophobicContact CB-CE2 3.75Å; F29-F94 HydrophobicContact CB-CZ 4.18Å; F29-F94 HydrophobicContact CD1-CE2 4.09Å; F29-F94 AromaticContact CD1-CZ 3.91Å; F29-F94 HydrophobicContact CD1-CZ 3.91Å; F29-F94 AromaticContact CD2-CE2 3.92Å; F29-F94 HydrophobicContact CD2-CE2 3.92Å; F29-F94 AromaticContact CD2-CZ 3.44Å; F29-F94 HydrophobicContact CD2-CZ 3.44Å; F29-F94 VanDerWaalsContact CD2-CZ 3.44Å; F29-F94 HydrophobicContact CE1-CZ 4.11Å; F29-F94 HydrophobicContact CE2-CE1 4.49Å; F29-F94 AromaticContact CE2-CZ 3.66Å; F29-F94 HydrophobicContact CE2-CZ 3.66Å; F29-F94 AromaticContact CG-CE2 3.66Å; F29-F94 HydrophobicContact CG-CE2 3.66Å; F29-F94 AromaticContact CG-CZ 3.57Å; F29-F94 HydrophobicContact CG-CZ 3.57Å; F29-F94 AromaticContact CZ-CZ 3.98Å; F29-F94 HydrophobicContact CZ-CZ 3.98Å
30	T	96.6	Very high	97.1	Very high	86 Å²	86	70.7 Å²	70.7	53%	0.528	38%	0.378	S	S	.	.	S	Bend	trans	-119.1	1.8	174.3	56.6	0	0	0	0	112.8	W12	W12-T30 VanDerWaalsContact O-CA 3.22Å; W12-T30 WeakPolarHBondContact O-CA 3.21Å; W12-T30 WeakPolarHBondContact O-CB 3.46Å; W12-T30 WeakPolarHBondContact O-CG2 3.36Å
31	S	95.9	Very high	97	Very high	72 Å²	72	66.7 Å²	66.7	50%	0.503	36%	0.36	S	S	.	.	S	Bend	trans	-144.5	176.1	178.3	63.5	0	0	0	0	109.8	W54	S31-W54 WeakPolarHBondContact O-CZ3 3.49Å
32	A	97.7	Very high	96.8	Very high	48 Å²	48	69 Å²	69	40%	0.397	37%	0.372	S	S	.	.			trans	-64.7	144.8	-179.7	0	0	0	0	0	112.9	F62 F94 R95	A32-F62 HydrophobicContact CB-CE1 4.23Å; A32-F62 HydrophobicContact CB-CZ 3.85Å; A32-F94 CarbonylContact C-O 3.12Å; A32-F94 WeakPolarHBondContact CA-O 3.28Å; A32-R95 HydrophobicContact CB-CB 3.55Å
33	C	98.2	Very high	96.6	Very high	10 Å²	10	68.4 Å²	68.4	7%	0.068	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-117.6	115.8	170.4	-178.9	0	0	0	0	108.5	F29 S93 F94	F29-C33 HydrophobicContact CD1-CB 4.05Å; F29-C33 HydrophobicContact CE1-CB 3.89Å; C33-S93 VanDerWaalsContact O-CA 3.28Å; C33-S93 WeakPolarHBondContact O-CA 3.42Å; C33-S93 WeakPolarHBondContact O-CB 3.37Å; C33-F94 HydrophobicContact CB-CD1 4.44Å; C33-F94 HydrophobicContact CB-CD2 4.29Å; C33-F94 HydrophobicContact CB-CE1 3.87Å; C33-F94 HydrophobicContact CB-CE2 3.7Å; C33-F94 HydrophobicContact CB-CZ 3.45Å; C33-F94 VanDerWaalsContact CB-CZ 3.45Å; C33-F94 PolarHBondContact N-O 3.49Å; C33-F94 PolarHBondContact O-N 3.11Å
34	Q	98.1	Very high	96.5	Very high	116 Å²	116	63 Å²	63	54%	0.542	35%	0.345	S	S	.	.	S	Bend	trans	-78.5	-23.6	-179.5	-73.1	-174.8	-5.1	0	0	113.1	S60 S61 F62 S93	Q34-S60 CarbonylContact O-C 3.58Å; Q34-S60 VanDerWaalsContact O-CA 3.29Å; Q34-S60 WeakPolarHBondContact O-CA 3.5Å; Q34-S60 WeakPolarHBondContact O-CB 3.5Å; Q34-S61 PolarHBondContact O-N 3.47Å; Q34-F62 HydrophobicContact CB-CZ 4.41Å; Q34-F62 HydrophobicContact CG-CE1 4.23Å; Q34-F62 HydrophobicContact CG-CE2 3.69Å; Q34-F62 HydrophobicContact CG-CZ 3.45Å; Q34-F62 VanDerWaalsContact CG-CZ 3.45Å; Q34-S93 WeakPolarHBondContact O-CB 3.44Å
35	N	97.9	Very high	96.5	Very high	26 Å²	26	64.8 Å²	64.8	14%	0.139	34%	0.338	C	S	.	.			trans	-160.7	106.9	-177.9	-176.8	8.9	0	0	0	110.8	M37 E38 M92	N35-M37 PolarHBondContact O-N 3.49Å; N35-M37 VanDerWaalsContact O-N 3.16Å; N35-M37 WeakPolarHBondContact OD1-CB 3.33Å; N35-M37 VanDerWaalsContact OD1-CE 3.3Å; N35-M37 WeakPolarHBondContact OD1-CE 3.49Å; N35-M37 PolarHBondContact OD1-N 3Å; N35-E38 HydrophobicContact CB-CG 4.2Å; N35-E38 PolarHBondContact ND2-OE1 3.06Å; N35-E38 WeakPolarHBondContact O-CB 3.48Å; N35-E38 PolarHBondContact O-N 3.26Å; N35-E38 VanDerWaalsContact O-N 3.14Å; N35-M92 WeakPolarHBondContact CA-O 3.37Å
36	I	97.1	Very high	96.5	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.01	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-63.1	-21	-179.4	60.9	171.4	0	0	0	114	E38 C39 S40 V41 I44 M91 M92 F94	I36-E38 PolarHBondContact O-N 3.32Å; I36-C39 CarbonylContact O-C 3.54Å; I36-C39 WeakPolarHBondContact O-CA 3.46Å; I36-C39 WeakPolarHBondContact O-CB 3.49Å; I36-C39 PolarHBondContact O-N 2.84Å; I36-S40 PolarHBondContact O-N 3.01Å; I36-V41 CarbonylContact C-O 3.46Å; I36-V41 HydrophobicContact CB-CB 4.34Å; I36-V41 HydrophobicContact CD1-CG1 4.15Å; I36-V41 WeakPolarHBondContact CG1-O 3.22Å; I36-V41 PolarHBondContact O-N 3.42Å; I36-I44 HydrophobicContact CD1-CD1 4.42Å; I36-I44 HydrophobicContact CD1-CG1 3.98Å; I36-I44 HydrophobicContact CG2-CD1 4.08Å; I36-I44 HydrophobicContact CG2-CG1 4.49Å; I36-M91 WeakPolarHBondContact CD1-O 3.46Å; I36-M92 HydrophobicContact CD1-CE 4.24Å; I36-M92 HydrophobicContact CD1-SD 3.99Å; I36-M92 HydrophobicContact CG1-CE 3.94Å; I36-M92 HydrophobicContact CG1-SD 4.26Å; I36-M92 PolarHBondContact N-O 2.87Å; I36-F94 HydrophobicContact CG2-CD1 4.4Å; I36-F94 HydrophobicContact CG2-CE1 3.75Å
37	M	96.2	Very high	96.6	Very high	100 Å²	100	55.1 Å²	55.1	49%	0.493	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-64.7	-28.5	177.4	-64.2	-175.1	-71.5	0	0	111.5	N35 C39 S40 V41 M92	N35-M37 PolarHBondContact O-N 3.49Å; N35-M37 VanDerWaalsContact O-N 3.16Å; N35-M37 WeakPolarHBondContact OD1-CB 3.33Å; N35-M37 VanDerWaalsContact OD1-CE 3.3Å; N35-M37 WeakPolarHBondContact OD1-CE 3.49Å; N35-M37 PolarHBondContact OD1-N 3Å; M37-C39 PolarHBondContact O-N 3.36Å; M37-S40 WeakPolarHBondContact O-CA 3.45Å; M37-S40 PolarHBondContact O-N 2.84Å; M37-V41 PolarHBondContact N-O 3.48Å; M37-M92 HydrophobicContact CE-CE 3.86Å; M37-M92 HydrophobicContact CG-CE 3.45Å; M37-M92 VanDerWaalsContact CG-CE 3.45Å; M37-M92 HydrophobicContact SD-CE 3.69Å
38	E	95.9	Very high	96.6	Very high	152 Å²	152	55.2 Å²	55.2	71%	0.71	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-67.1	-21.3	174	-65.4	171.3	-159.1	0	0	111.9	N35 I36 S40	N35-E38 HydrophobicContact CB-CG 4.2Å; N35-E38 PolarHBondContact ND2-OE1 3.06Å; N35-E38 WeakPolarHBondContact O-CB 3.48Å; N35-E38 PolarHBondContact O-N 3.26Å; N35-E38 VanDerWaalsContact O-N 3.14Å; I36-E38 PolarHBondContact O-N 3.32Å; E38-S40 VanDerWaalsContact C-N 3.33Å
39	C	94.1	Very high	96.6	Very high	41 Å²	41	51 Å²	51	28%	0.277	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-94	10.3	172.2	-51.5	0	0	0	0	112.6	K25 L27 F29 I36 M37 V41	K25-C39 PolarHBondContact NZ-O 2.98Å; L27-C39 HydrophobicContact CD1-CB 3.56Å; F29-C39 HydrophobicContact CZ-CB 4.48Å; I36-C39 CarbonylContact O-C 3.54Å; I36-C39 WeakPolarHBondContact O-CA 3.46Å; I36-C39 WeakPolarHBondContact O-CB 3.49Å; I36-C39 PolarHBondContact O-N 2.84Å; M37-C39 PolarHBondContact O-N 3.36Å; C39-V41 VanDerWaalsContact C-N 3.35Å; C39-V41 PolarHBondContact O-N 2.84Å
40	S	94.3	Very high	96.6	Very high	88 Å²	88	52.5 Å²	52.5	62%	0.615	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	44.6	-175	-19.2	0	0	0	0	113.1	K25 I36 M37 E38	K25-S40 PolarHBondContact NZ-O 2.68Å; I36-S40 PolarHBondContact O-N 3.01Å; M37-S40 WeakPolarHBondContact O-CA 3.45Å; M37-S40 PolarHBondContact O-N 2.84Å; E38-S40 VanDerWaalsContact C-N 3.33Å
41	V	94.6	Very high	96.5	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.024	27%	0.267	C	S	.	.			trans	-119.4	123.4	169.2	176.5	0	0	0	0	107.7	D18 K25 L27 I36 M37 C39 N43	D18-V41 HydrophobicContact CB-CG1 4.21Å; K25-V41 HydrophobicContact CD-CG2 4.1Å; L27-V41 HydrophobicContact CD1-CG2 3.46Å; L27-V41 VanDerWaalsContact CD1-CG2 3.46Å; L27-V41 HydrophobicContact CG-CG2 4.3Å; I36-V41 CarbonylContact C-O 3.46Å; I36-V41 HydrophobicContact CB-CB 4.34Å; I36-V41 HydrophobicContact CD1-CG1 4.15Å; I36-V41 WeakPolarHBondContact CG1-O 3.22Å; I36-V41 PolarHBondContact O-N 3.42Å; M37-V41 PolarHBondContact N-O 3.48Å; C39-V41 VanDerWaalsContact C-N 3.35Å; C39-V41 PolarHBondContact O-N 2.84Å; V41-N43 WeakPolarHBondContact CG1-O 3.49Å
42	D	93	Very high	96.4	Very high	140 Å²	140	46 Å²	46	75%	0.749	24%	0.244	S	C	*	.	S	Bend	trans	-80.1	-36.9	-175.7	-65.4	-25	0	0	0	112.6
43	N	94.4	Very high	96.4	Very high	25 Å²	25	43.7 Å²	43.7	13%	0.134	23%	0.225	C	C	.	.			trans	-154.6	149.4	172.3	-166.5	31.8	0	0	0	110.4	V41 E89 R90 M91	V41-N43 WeakPolarHBondContact CG1-O 3.49Å; N43-E89 PolarHBondContact ND2-O 2.94Å; N43-R90 WeakPolarHBondContact OD1-CA 3.43Å; N43-M91 PolarHBondContact OD1-N 3.11Å; N43-M91 VanDerWaalsContact OD1-N 3.1Å
44	I	96.9	Very high	96.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.			trans	-82.6	127.9	169.4	-62.2	165.1	0	0	0	108.4	V16 I36 L47 W80 M91 F94	V16-I44 HydrophobicContact CB-CD1 4.15Å; V16-I44 HydrophobicContact CB-CG1 4.02Å; V16-I44 HydrophobicContact CB-CG2 4.08Å; V16-I44 HydrophobicContact CG1-CD1 3.85Å; V16-I44 HydrophobicContact CG1-CG1 4.28Å; V16-I44 HydrophobicContact CG1-CG2 4.36Å; V16-I44 HydrophobicContact CG2-CG1 4.35Å; I36-I44 HydrophobicContact CD1-CD1 4.42Å; I36-I44 HydrophobicContact CD1-CG1 3.98Å; I36-I44 HydrophobicContact CG2-CD1 4.08Å; I36-I44 HydrophobicContact CG2-CG1 4.49Å; I44-L47 HydrophobicContact CG2-CB 4.29Å; I44-L47 HydrophobicContact CG2-CD2 4.12Å; I44-W80 HydrophobicContact CG2-CH2 4.33Å; I44-M91 HydrophobicContact CD1-CB 4.38Å; I44-M91 HydrophobicContact CD1-CG 4.17Å; I44-M91 HydrophobicContact CD1-SD 3.97Å; I44-F94 HydrophobicContact CD1-CD1 3.92Å; I44-F94 HydrophobicContact CD1-CE1 3.84Å
45	R	96.9	Very high	96.4	Very high	82 Å²	82	37.7 Å²	37.7	31%	0.309	20%	0.196	S	C	.	.			trans	-113.3	-25.5	-179.7	-65.8	-61.2	-168.7	165	-2.4	113.3	Y17 D18 E20 H76 W80 E89	Y17-R45 PolarHBondContact O-N 2.84Å; D18-R45 WeakPolarHBondContact O-CG 3.24Å; E20-R45 HydrophobicContact CG-CB 4.19Å; R45-H76 WeakPolarHBondContact O-CA 3.38Å; R45-W80 WeakPolarHBondContact O-CH2 3.45Å; R45-E89 IonicContact CZ-OE2 3.24Å; R45-E89 IonicContact NH1-OE2 2.73Å; R45-E89 PolarHBondContact NH1-OE2 2.77Å
46	S	98.1	Very high	96.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158.1	166.3	61.3	0	0	0	0	110.7	Y17 Q19 F22 Y74 P75	Y17-S46 WeakPolarHBondContact CB-O 3.21Å; Y17-S46 WeakPolarHBondContact CB-OG 3.49Å; Y17-S46 PolarHBondContact N-O 2.8Å; Y17-S46 PolarHBondContact O-N 3Å; Q19-S46 PolarHBondContact O-N 2.9Å; Q19-S46 PolarHBondContact O-OG 3.1Å; F22-S46 VanDerWaalsContact CA-OG 3.31Å; F22-S46 WeakPolarHBondContact CA-OG 3.13Å; F22-S46 PolarHBondContact N-OG 3.13Å; S46-Y74 CarbonylContact C-O 3.59Å; S46-Y74 VanDerWaalsContact CA-O 3.24Å; S46-Y74 WeakPolarHBondContact CA-O 3.42Å; S46-Y74 WeakPolarHBondContact CB-O 3.27Å; S46-P75 WeakPolarHBondContact CB-O 3.45Å
47	L	98.4	Very high	96.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	158.6	179.4	64.8	87.1	0	0	0	112.4	I14 T15 V16 F22 I44 V49 L69 Y74 W80 M91	I14-L47 HydrophobicContact CD1-CD1 4.21Å; I14-L47 HydrophobicContact CD1-CD2 4.46Å; I14-L47 HydrophobicContact CG1-CD1 4.46Å; T15-L47 CarbonylContact O-C 3.54Å; T15-L47 WeakPolarHBondContact O-CA 3.34Å; T15-L47 WeakPolarHBondContact O-CB 3.46Å; V16-L47 HydrophobicContact CG1-CB 4.14Å; F22-L47 WeakPolarHBondContact CE1-O 3.49Å; I44-L47 HydrophobicContact CG2-CB 4.29Å; I44-L47 HydrophobicContact CG2-CD2 4.12Å; L47-V49 HydrophobicContact CD1-CG2 3.81Å; L47-L69 HydrophobicContact CD1-CD1 4.46Å; L47-L69 HydrophobicContact CD1-CD2 4.33Å; L47-L69 HydrophobicContact CD2-CD1 3.91Å; L47-L69 HydrophobicContact CD2-CD2 4.16Å; L47-Y74 HydrophobicContact CD1-CD2 3.31Å; L47-Y74 HydrophobicContact CD1-CE2 3.95Å; L47-Y74 HydrophobicContact CD1-CG 3.76Å; L47-Y74 HydrophobicContact CG-CD2 4.25Å; L47-Y74 HydrophobicContact CG-CG 4.26Å; L47-Y74 PolarHBondContact N-O 2.78Å; L47-Y74 WeakPolarHBondContact O-CA 3.45Å; L47-Y74 WeakPolarHBondContact O-CB 3.15Å; L47-Y74 PolarHBondContact O-N 2.91Å; L47-W80 HydrophobicContact CD2-CE3 4.29Å; L47-W80 HydrophobicContact CD2-CZ3 4.38Å; L47-W80 HydrophobicContact CG-CE3 4.47Å; L47-W80 HydrophobicContact CG-CZ3 4.43Å; L47-M91 HydrophobicContact CD2-CE 4.12Å; L47-M91 HydrophobicContact CD2-SD 4.16Å
48	K	98.5	Very high	96.3	Very high	47 Å²	47	32.4 Å²	32.4	20%	0.204	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.7	170.9	-58.5	-169.9	-178.7	-155.2	0	108.1	I14 T15 Y17 F22 G72 E73	I14-K48 CarbonylContact C-O 3.55Å; I14-K48 WeakPolarHBondContact CA-O 3.36Å; I14-K48 WeakPolarHBondContact CG1-O 3.27Å; T15-K48 PolarHBondContact N-O 3.38Å; T15-K48 PolarHBondContact O-N 2.86Å; Y17-K48 HydrophobicContact CE2-CG 4.38Å; F22-K48 HydrophobicContact CD1-CD 4.21Å; F22-K48 HydrophobicContact CD1-CG 3.74Å; F22-K48 HydrophobicContact CE1-CD 4.41Å; F22-K48 HydrophobicContact CE1-CG 3.71Å; F22-K48 HydrophobicContact CG-CD 4.49Å; F22-K48 HydrophobicContact CG-CG 4.48Å; F22-K48 HydrophobicContact CZ-CG 4.43Å; K48-G72 WeakPolarHBondContact CA-O 3.46Å; K48-E73 HydrophobicContact CD-CG 4.23Å; K48-E73 WeakPolarHBondContact CE-OE1 3.43Å; K48-E73 HydrophobicContact CG-CG 4.25Å; K48-E73 IonicContact NZ-OE1 2.74Å; K48-E73 PolarHBondContact NZ-OE1 3.12Å
49	V	98.1	Very high	96.4	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	104.9	170	-179.5	0	0	0	0	106.8	I14 L47 G52 L69 E70 R71 G72 Y74	I14-V49 HydrophobicContact CD1-CG2 4.14Å; I14-V49 HydrophobicContact CG1-CG2 4.11Å; L47-V49 HydrophobicContact CD1-CG2 3.81Å; V49-G52 WeakPolarHBondContact CG1-O 3.5Å; V49-L69 HydrophobicContact CG2-CB 3.98Å; V49-E70 VanDerWaalsContact CB-O 3.27Å; V49-E70 WeakPolarHBondContact CB-O 3.47Å; V49-R71 WeakPolarHBondContact O-CA 3.47Å; V49-R71 WeakPolarHBondContact O-CG 3.03Å; V49-G72 PolarHBondContact N-O 2.73Å; V49-G72 PolarHBondContact O-N 3.18Å; V49-Y74 HydrophobicContact CG2-CE2 4.08Å
50	E	96.6	Very high	96.5	Very high	61 Å²	61	28.7 Å²	28.7	29%	0.285	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-31.5	-179.2	-59.2	92.8	154.9	0	0	112.4	K13 I14 T15	K13-E50 HydrophobicContact CB-CB 4.25Å; K13-E50 HydrophobicContact CD-CB 4.26Å; K13-E50 HydrophobicContact CD-CG 4.44Å; K13-E50 HydrophobicContact CG-CB 4.38Å; K13-E50 WeakPolarHBondContact CG-OE2 3.37Å; K13-E50 PolarHBondContact O-N 2.86Å; I14-E50 WeakPolarHBondContact CA-OE2 3.17Å; T15-E50 WeakPolarHBondContact CB-OE1 3.39Å; T15-E50 PolarHBondContact N-OE2 3.17Å; T15-E50 PolarHBondContact OG1-OE1 2.74Å
51	C	95.1	Very high	96.7	Very high	20 Å²	20	27.9 Å²	27.9	14%	0.135	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	131.5	-178.7	-165.2	0	0	0	0	113.1	G10 W12 K13 W54	G10-C51 PolarHBondContact O-SG 3.07Å; W12-C51 WeakPolarHBondContact CA-O 3.35Å; K13-C51 HydrophobicContact CB-CB 4.22Å; K13-C51 PolarHBondContact N-O 2.74Å; K13-C51 PolarHBondContact O-N 3.08Å; C51-W54 PolarHBondContact O-NE1 2.8Å
52	G	94.6	Very high	96.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	16%	0.155	C	C	.	.	S	Bend	trans	77.7	-174.6	176.9	0	0	0	0	0	113.7	V49 Q196	V49-G52 WeakPolarHBondContact CG1-O 3.5Å; G52-Q196 WeakPolarHBondContact CA-OXT 3.2Å; G52-Q196 PolarHBondContact N-OXT 2.98Å
53	A	96.9	Very high	97	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.			trans	-107.2	146.9	173.7	0	0	0	0	0	111	I97 A100 I194 Q195	A53-I97 HydrophobicContact CB-CB 4.18Å; A53-I97 HydrophobicContact CB-CD1 4.34Å; A53-I97 PolarHBondContact O-N 3.11Å; A53-A100 HydrophobicContact CB-CB 3.98Å; A53-I194 HydrophobicContact CB-CG2 3.47Å; A53-I194 VanDerWaalsContact CB-CG2 3.47Å; A53-Q195 WeakPolarHBondContact CB-O 3.33Å
54	W	98.2	Very high	97	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.6	-177.9	-64	75.1	0	0	0	110.8	W12 I14 F29 S31 C51 L69 F94 R95 P96	W12-W54 HydrophobicContact CB-CH2 4.45Å; W12-W54 HydrophobicContact CB-CZ2 3.63Å; I14-W54 HydrophobicContact CB-CD2 4.04Å; I14-W54 HydrophobicContact CB-CE3 4.49Å; I14-W54 HydrophobicContact CB-CG 4.43Å; I14-W54 HydrophobicContact CB-CH2 4.47Å; I14-W54 HydrophobicContact CB-CZ2 4Å; I14-W54 HydrophobicContact CD1-CB 4.47Å; I14-W54 HydrophobicContact CD1-CD2 4.46Å; I14-W54 HydrophobicContact CD1-CG 4.35Å; I14-W54 HydrophobicContact CG2-CD2 3.84Å; I14-W54 HydrophobicContact CG2-CE3 3.8Å; I14-W54 HydrophobicContact CG2-CH2 3.56Å; I14-W54 HydrophobicContact CG2-CZ2 3.58Å; I14-W54 HydrophobicContact CG2-CZ3 3.67Å; F29-W54 HydrophobicContact CB-CH2 4.44Å; S31-W54 WeakPolarHBondContact O-CZ3 3.49Å; C51-W54 PolarHBondContact O-NE1 2.8Å; W54-L69 HydrophobicContact CB-CB 4.02Å; W54-L69 HydrophobicContact CB-CD1 4.44Å; W54-L69 PolarHBondContact N-O 2.96Å; W54-L69 WeakPolarHBondContact O-CB 3.4Å; W54-L69 PolarHBondContact O-N 3.18Å; W54-F94 AromaticContact CE3-CD2 3.75Å; W54-F94 HydrophobicContact CE3-CD2 3.75Å; W54-F94 HydrophobicContact CE3-CE2 4.46Å; W54-F94 AromaticContact CZ3-CD2 3.74Å; W54-F94 HydrophobicContact CZ3-CD2 3.74Å; W54-F94 HydrophobicContact CZ3-CE2 4.07Å; W54-R95 CarbonylContact C-O 3.54Å; W54-R95 VanDerWaalsContact CA-O 3.26Å; W54-R95 WeakPolarHBondContact CA-O 3.08Å; W54-P96 HydrophobicContact CD2-CG 4.48Å; W54-P96 HydrophobicContact CE3-CG 4.08Å; W54-P96 HydrophobicContact CH2-CG 3.85Å; W54-P96 HydrophobicContact CZ2-CG 4.27Å; W54-P96 HydrophobicContact CZ3-CG 3.75Å
55	A	97.8	Very high	96.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	115.6	169.8	0	0	0	0	0	108	Y57 F94 R95 I97 I163	A55-Y57 HydrophobicContact CB-CE2 3.65Å; A55-Y57 WeakPolarHBondContact O-CD2 3.31Å; A55-Y57 WeakPolarHBondContact O-CE2 3.24Å; A55-F94 CarbonylContact O-C 3.41Å; A55-F94 WeakPolarHBondContact O-CA 3.48Å; A55-F94 WeakPolarHBondContact O-CB 3.47Å; A55-R95 HydrophobicContact CB-CG 4.15Å; A55-R95 PolarHBondContact N-O 3.12Å; A55-R95 PolarHBondContact O-N 3.38Å; A55-I97 HydrophobicContact CB-CD1 4.03Å; A55-I97 HydrophobicContact CB-CG1 3.94Å; A55-I163 HydrophobicContact CB-CD1 3.51Å
56	G	97.5	Very high	96.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	152.5	169.3	0	0	0	0	0	111.5	Q66 F67	G56-Q66 CarbonylContact O-C 3.46Å; G56-Q66 WeakPolarHBondContact O-CA 3.48Å; G56-F67 PolarHBondContact N-O 2.97Å; G56-F67 PolarHBondContact O-N 3.21Å
57	Y	97.1	Very high	96.7	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	138.5	-175.4	-66.7	-91.4	0	0	0	111.4	A55 H59 F62 C63 Q65 Q66 M91 M92 S93 R95	A55-Y57 HydrophobicContact CB-CE2 3.65Å; A55-Y57 WeakPolarHBondContact O-CD2 3.31Å; A55-Y57 WeakPolarHBondContact O-CE2 3.24Å; Y57-H59 VanDerWaalsContact C-N 3.31Å; Y57-H59 PolarHBondContact O-N 3.17Å; Y57-F62 HydrophobicContact CD1-CB 4.15Å; Y57-F62 WeakPolarHBondContact CD1-O 3.35Å; Y57-F62 HydrophobicContact CD2-CB 3.96Å; Y57-F62 AromaticContact CD2-CD1 3.91Å; Y57-F62 HydrophobicContact CD2-CD1 3.91Å; Y57-F62 HydrophobicContact CD2-CG 4.42Å; Y57-F62 HydrophobicContact CE1-CB 4.02Å; Y57-F62 VanDerWaalsContact CE1-O 3.25Å; Y57-F62 WeakPolarHBondContact CE1-O 3.41Å; Y57-F62 HydrophobicContact CE2-CB 3.86Å; Y57-F62 HydrophobicContact CE2-CD1 4Å; Y57-F62 HydrophobicContact CE2-CG 4.3Å; Y57-F62 HydrophobicContact CG-CB 4.12Å; Y57-C63 WeakPolarHBondContact CB-O 3.11Å; Y57-Q65 WeakPolarHBondContact CA-O 3.49Å; Y57-Q66 HydrophobicContact CD1-CG 3.92Å; Y57-Q66 HydrophobicContact CE1-CG 3.6Å; Y57-M91 CarbonylContact O-C 3.52Å; Y57-M91 WeakPolarHBondContact O-CA 3.44Å; Y57-M92 PolarHBondContact O-N 3.02Å; Y57-S93 WeakPolarHBondContact CB-OG 3.38Å; Y57-S93 PolarHBondContact N-O 3Å; Y57-S93 PolarHBondContact O-N 3.49Å; Y57-R95 HydrophobicContact CE2-CG 4.1Å; Y57-R95 PolarHBondContact OH-NE 3.33Å; Y57-R95 PolarHBondContact OH-NH2 2.73Å
58	E	95.3	Very high	96.6	Very high	12 Å²	12	21.8 Å²	21.8	6%	0.056	12%	0.121	C	C	.	.	S	Bend	trans	-60	-37.3	178.3	176.1	-168.9	175.2	0	0	113.5	Q65 F67 Y86 I88 R90 M92	E58-Q65 HydrophobicContact CB-CB 4.23Å; E58-Q65 PolarHBondContact N-O 3.47Å; E58-Q65 PolarHBondContact OE2-N 3.46Å; E58-F67 HydrophobicContact CB-CE2 4.36Å; E58-Y86 PolarHBondContact OE2-OH 3.31Å; E58-I88 HydrophobicContact CB-CG2 4.43Å; E58-I88 VanDerWaalsContact CD-CD1 3.5Å; E58-I88 HydrophobicContact CG-CD1 4.44Å; E58-I88 HydrophobicContact CG-CG2 3.68Å; E58-I88 WeakPolarHBondContact OE1-CD1 3.35Å; E58-R90 WeakPolarHBondContact CA-O 3.46Å; E58-R90 HydrophobicContact CG-CB 4.46Å; E58-R90 VanDerWaalsContact O-CD 3.3Å; E58-R90 WeakPolarHBondContact O-CD 3.38Å; E58-R90 WeakPolarHBondContact O-CG 3.27Å; E58-M92 WeakPolarHBondContact O-CG 3.42Å
59	H	97	Very high	96.6	Very high	70 Å²	70	19.5 Å²	19.5	32%	0.324	11%	0.112	S	C	.	.	S	Bend	trans	-113.7	168.9	-178.1	-58.9	-35	0	0	0	111.5	Y57 C63 S93	Y57-H59 VanDerWaalsContact C-N 3.31Å; Y57-H59 PolarHBondContact O-N 3.17Å; H59-C63 WeakPolarHBondContact CA-O 3.23Å; H59-C63 HydrophobicContact CB-CB 3.97Å; H59-C63 WeakPolarHBondContact CB-O 3.43Å; H59-C63 PolarHBondContact N-O 3.43Å; H59-S93 PolarHBondContact O-OG 3.06Å
60	S	97.6	Very high	96.5	Very high	46 Å²	46	20.6 Å²	20.6	32%	0.322	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-64	165.8	171.2	52.4	0	0	0	0	111.1	Q34 F62 C63	Q34-S60 CarbonylContact O-C 3.58Å; Q34-S60 VanDerWaalsContact O-CA 3.29Å; Q34-S60 WeakPolarHBondContact O-CA 3.5Å; Q34-S60 WeakPolarHBondContact O-CB 3.5Å; S60-F62 PolarHBondContact O-N 2.87Å; S60-C63 WeakPolarHBondContact O-CB 3.14Å; S60-C63 PolarHBondContact O-N 2.75Å
61	S	97.6	Very high	96.5	Very high	71 Å²	71	26.3 Å²	26.3	50%	0.497	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	57.7	31.7	176.7	-53.9	0	0	0	0	114	Q34 C63	Q34-S61 PolarHBondContact O-N 3.47Å; S61-C63 VanDerWaalsContact C-N 3.33Å; S61-C63 PolarHBondContact O-N 2.82Å
62	F	97.4	Very high	96.6	Very high	46 Å²	46	26.7 Å²	26.7	20%	0.202	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	61.5	38.1	178.3	-40	-56	0	0	0	113.7	A32 Q34 Y57 S60 S93 F94 R95	A32-F62 HydrophobicContact CB-CE1 4.23Å; A32-F62 HydrophobicContact CB-CZ 3.85Å; Q34-F62 HydrophobicContact CB-CZ 4.41Å; Q34-F62 HydrophobicContact CG-CE1 4.23Å; Q34-F62 HydrophobicContact CG-CE2 3.69Å; Q34-F62 HydrophobicContact CG-CZ 3.45Å; Q34-F62 VanDerWaalsContact CG-CZ 3.45Å; Y57-F62 HydrophobicContact CD1-CB 4.15Å; Y57-F62 WeakPolarHBondContact CD1-O 3.35Å; Y57-F62 HydrophobicContact CD2-CB 3.96Å; Y57-F62 AromaticContact CD2-CD1 3.91Å; Y57-F62 HydrophobicContact CD2-CD1 3.91Å; Y57-F62 HydrophobicContact CD2-CG 4.42Å; Y57-F62 HydrophobicContact CE1-CB 4.02Å; Y57-F62 VanDerWaalsContact CE1-O 3.25Å; Y57-F62 WeakPolarHBondContact CE1-O 3.41Å; Y57-F62 HydrophobicContact CE2-CB 3.86Å; Y57-F62 HydrophobicContact CE2-CD1 4Å; Y57-F62 HydrophobicContact CE2-CG 4.3Å; Y57-F62 HydrophobicContact CG-CB 4.12Å; S60-F62 PolarHBondContact O-N 2.87Å; F62-S93 WeakPolarHBondContact CA-OG 3.46Å; F62-S93 PolarHBondContact N-OG 2.94Å; F62-F94 WeakPolarHBondContact CE1-O 3.11Å; F62-R95 HydrophobicContact CD1-CB 4.46Å; F62-R95 HydrophobicContact CE1-CB 4Å; F62-R95 HydrophobicContact CZ-CB 4.37Å
63	C	96.8	Very high	96.8	Very high	48 Å²	48	32.5 Å²	32.5	32%	0.324	17%	0.17	S	C	.	.			trans	-110.6	169.1	-179.7	-69.3	0	0	0	0	112.4	Y57 H59 S60 S61 S181	Y57-C63 WeakPolarHBondContact CB-O 3.11Å; H59-C63 WeakPolarHBondContact CA-O 3.23Å; H59-C63 HydrophobicContact CB-CB 3.97Å; H59-C63 WeakPolarHBondContact CB-O 3.43Å; H59-C63 PolarHBondContact N-O 3.43Å; S60-C63 WeakPolarHBondContact O-CB 3.14Å; S60-C63 PolarHBondContact O-N 2.75Å; S61-C63 VanDerWaalsContact C-N 3.33Å; S61-C63 PolarHBondContact O-N 2.82Å; C63-S181 WeakPolarHBondContact CA-OG 3.42Å
64	G	94.9	Very high	96.8	Very high	3 Å²	3	33.9 Å²	33.9	3%	0.031	18%	0.175	C	C	.	.	S	Bend	trans	81.6	-158.8	-179	0	0	0	0	0	112.8	S181 H182	G64-S181 PolarHBondContact N-OG 3.46Å; G64-H182 VanDerWaalsContact C-CB 3.42Å; G64-H182 WeakPolarHBondContact O-CB 3.49Å
65	Q	94.3	Very high	96.7	Very high	5 Å²	5	35.5 Å²	35.5	2%	0.023	19%	0.186	C	C	.	.	S	Bend	trans	-65	143.2	176.7	-179.3	50.6	34.8	0	0	111.7	Y57 E58 F67 Y86 Y160 Q161	Y57-Q65 WeakPolarHBondContact CA-O 3.49Å; E58-Q65 HydrophobicContact CB-CB 4.23Å; E58-Q65 PolarHBondContact N-O 3.47Å; E58-Q65 PolarHBondContact OE2-N 3.46Å; Q65-F67 HydrophobicContact CB-CZ 4.26Å; Q65-F67 HydrophobicContact CG-CE1 3.9Å; Q65-F67 HydrophobicContact CG-CZ 4.03Å; Q65-Y86 HydrophobicContact CB-CD1 4.16Å; Q65-Y86 HydrophobicContact CB-CE1 3.46Å; Q65-Y86 VanDerWaalsContact CB-CE1 3.46Å; Q65-Y86 HydrophobicContact CG-CD1 3.82Å; Q65-Y86 HydrophobicContact CG-CE1 3.66Å; Q65-Y160 HydrophobicContact CG-CD1 4.42Å; Q65-Q161 PolarHBondContact NE2-O 3.34Å
66	Q	95.4	Very high	96.6	Very high	9 Å²	9	38.3 Å²	38.3	4%	0.042	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	149	178.8	-61.8	176.1	75.7	0	0	111.4	G56 Y57 I163 W179	G56-Q66 CarbonylContact O-C 3.46Å; G56-Q66 WeakPolarHBondContact O-CA 3.48Å; Y57-Q66 HydrophobicContact CD1-CG 3.92Å; Y57-Q66 HydrophobicContact CE1-CG 3.6Å; Q66-I163 HydrophobicContact CB-CD1 4.34Å; Q66-W179 PolarHBondContact NE2-O 3.02Å
67	F	95.6	Very high	96.3	Very high	3 Å²	3	39.2 Å²	39.2	1%	0.013	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	123.3	175.8	-49.3	-70.8	0	0	0	109.2	G56 E58 Q65 L69 W80 M91	G56-F67 PolarHBondContact N-O 2.97Å; G56-F67 PolarHBondContact O-N 3.21Å; E58-F67 HydrophobicContact CB-CE2 4.36Å; Q65-F67 HydrophobicContact CB-CZ 4.26Å; Q65-F67 HydrophobicContact CG-CE1 3.9Å; Q65-F67 HydrophobicContact CG-CZ 4.03Å; F67-L69 HydrophobicContact CB-CD2 4.48Å; F67-W80 AromaticContact CD1-CD1 3.9Å; F67-W80 AromaticContact CG-CD1 3.8Å; F67-M91 HydrophobicContact CB-CE 4.23Å; F67-M91 HydrophobicContact CD2-CE 3.84Å; F67-M91 HydrophobicContact CG-CE 4.27Å
68	V	96.6	Very high	96	Very high	8 Å²	8	43.8 Å²	43.8	5%	0.048	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	126.3	172.2	70.7	0	0	0	0	109.7	E70 V150 I163 I194	V68-E70 HydrophobicContact CG2-CG 4.11Å; V68-V150 HydrophobicContact CB-CB 4.36Å; V68-V150 HydrophobicContact CB-CG1 4.49Å; V68-V150 HydrophobicContact CB-CG2 4.19Å; V68-V150 HydrophobicContact CG1-CB 4.46Å; V68-V150 HydrophobicContact CG1-CG1 4.2Å; V68-V150 HydrophobicContact CG1-CG2 4.14Å; V68-V150 HydrophobicContact CG2-CG1 4.45Å; V68-I163 HydrophobicContact CB-CD1 4.45Å; V68-I194 HydrophobicContact CG2-CD1 3.86Å; V68-I194 HydrophobicContact CG2-CG1 4.01Å; V68-I194 HydrophobicContact CG2-CG2 4.16Å
69	L	97.6	Very high	95.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	96.4	-177.9	-55.8	175.7	0	0	0	108.4	I14 L47 V49 W54 F67 Y74 W80 M91	I14-L69 HydrophobicContact CD1-CD1 4.01Å; L47-L69 HydrophobicContact CD1-CD1 4.46Å; L47-L69 HydrophobicContact CD1-CD2 4.33Å; L47-L69 HydrophobicContact CD2-CD1 3.91Å; L47-L69 HydrophobicContact CD2-CD2 4.16Å; V49-L69 HydrophobicContact CG2-CB 3.98Å; W54-L69 HydrophobicContact CB-CB 4.02Å; W54-L69 HydrophobicContact CB-CD1 4.44Å; W54-L69 PolarHBondContact N-O 2.96Å; W54-L69 WeakPolarHBondContact O-CB 3.4Å; W54-L69 PolarHBondContact O-N 3.18Å; F67-L69 HydrophobicContact CB-CD2 4.48Å; L69-Y74 HydrophobicContact CD2-CE1 4.34Å; L69-W80 HydrophobicContact CD2-CB 3.47Å; L69-W80 VanDerWaalsContact CD2-CB 3.47Å; L69-W80 HydrophobicContact CD2-CG 4.12Å; L69-M91 HydrophobicContact CD1-CE 4Å; L69-M91 HydrophobicContact CD1-SD 4Å; L69-M91 HydrophobicContact CD2-CE 4.17Å
70	E	96.9	Very high	95.5	Very high	25 Å²	25	42.4 Å²	42.4	12%	0.117	22%	0.222	C	C	.	.			trans	-93.5	170.9	178.3	-62.9	172.1	138.5	0	0	109.6	V49 V68 G72 Y74 R192 I194 Q195	V49-E70 VanDerWaalsContact CB-O 3.27Å; V49-E70 WeakPolarHBondContact CB-O 3.47Å; V68-E70 HydrophobicContact CG2-CG 4.11Å; E70-G72 PolarHBondContact O-N 3.22Å; E70-G72 VanDerWaalsContact O-N 3.13Å; E70-Y74 PolarHBondContact N-OH 2.74Å; E70-Y74 WeakPolarHBondContact O-CE2 3.36Å; E70-Y74 PolarHBondContact O-OH 2.71Å; E70-Y74 VanDerWaalsContact O-OH 3.11Å; E70-R192 VanDerWaalsContact CD-NH1 3.25Å; E70-R192 IonicContact OE1-CZ 3.55Å; E70-R192 IonicContact OE1-NH1 3.55Å; E70-R192 PolarHBondContact OE1-NH1 3.29Å; E70-R192 IonicContact OE1-NH2 2.73Å; E70-R192 IonicContact OE2-CZ 3.47Å; E70-R192 VanDerWaalsContact OE2-CZ 3.31Å; E70-R192 IonicContact OE2-NH1 3.38Å; E70-R192 PolarHBondContact OE2-NH1 3.25Å; E70-R192 IonicContact OE2-NH2 3.12Å; E70-R192 PolarHBondContact OE2-NH2 3.06Å; E70-I194 HydrophobicContact CG-CG2 4.26Å; E70-I194 WeakPolarHBondContact OE1-CA 3.39Å; E70-Q195 WeakPolarHBondContact CG-O 3.04Å; E70-Q195 PolarHBondContact OE1-N 3.47Å
71	R	96.6	Very high	94.9	Very high	181 Å²	181	40.7 Å²	40.7	68%	0.683	21%	0.21	S	C	*	.	S	Bend	trans	-52.5	122.4	178.6	-173.8	-179.9	177.6	170.5	0.3	111.5	V49	V49-R71 WeakPolarHBondContact O-CA 3.47Å; V49-R71 WeakPolarHBondContact O-CG 3.03Å
72	G	97.1	Very high	93.4	Very high	29 Å²	29	39.1 Å²	39.1	30%	0.299	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	162.9	-178	-175.4	0	0	0	0	0	114.1	K48 V49 E70	K48-G72 WeakPolarHBondContact CA-O 3.46Å; V49-G72 PolarHBondContact N-O 2.73Å; V49-G72 PolarHBondContact O-N 3.18Å; E70-G72 PolarHBondContact O-N 3.22Å; E70-G72 VanDerWaalsContact O-N 3.13Å
73	E	98.2	Very high	91.7	Very high	123 Å²	123	38.2 Å²	38.2	58%	0.575	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.4	176.6	-63.8	-163.5	150.5	0	0	109.9	F22 K48 P75	F22-E73 HydrophobicContact CE1-CB 4.41Å; F22-E73 HydrophobicContact CE2-CB 4.43Å; F22-E73 HydrophobicContact CZ-CB 3.74Å; F22-E73 HydrophobicContact CZ-CG 4.45Å; K48-E73 HydrophobicContact CD-CG 4.23Å; K48-E73 WeakPolarHBondContact CE-OE1 3.43Å; K48-E73 HydrophobicContact CG-CG 4.25Å; K48-E73 IonicContact NZ-OE1 2.74Å; K48-E73 PolarHBondContact NZ-OE1 3.12Å; E73-P75 WeakPolarHBondContact O-CD 3.43Å
74	Y	97.4	Very high	89.9	Confident	29 Å²	29	41.1 Å²	41.1	11%	0.114	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	86.7	-175.4	-64.2	-97.6	0	0	0	109.3	S46 L47 V49 L69 E70 H76 S79 W80	S46-Y74 CarbonylContact C-O 3.59Å; S46-Y74 VanDerWaalsContact CA-O 3.24Å; S46-Y74 WeakPolarHBondContact CA-O 3.42Å; S46-Y74 WeakPolarHBondContact CB-O 3.27Å; L47-Y74 HydrophobicContact CD1-CD2 3.31Å; L47-Y74 HydrophobicContact CD1-CE2 3.95Å; L47-Y74 HydrophobicContact CD1-CG 3.76Å; L47-Y74 HydrophobicContact CG-CD2 4.25Å; L47-Y74 HydrophobicContact CG-CG 4.26Å; L47-Y74 PolarHBondContact N-O 2.78Å; L47-Y74 WeakPolarHBondContact O-CA 3.45Å; L47-Y74 WeakPolarHBondContact O-CB 3.15Å; L47-Y74 PolarHBondContact O-N 2.91Å; V49-Y74 HydrophobicContact CG2-CE2 4.08Å; L69-Y74 HydrophobicContact CD2-CE1 4.34Å; E70-Y74 PolarHBondContact N-OH 2.74Å; E70-Y74 WeakPolarHBondContact O-CE2 3.36Å; E70-Y74 PolarHBondContact O-OH 2.71Å; E70-Y74 VanDerWaalsContact O-OH 3.11Å; Y74-H76 VanDerWaalsContact C-N 3.31Å; Y74-H76 PolarHBondContact O-N 3.04Å; Y74-S79 WeakPolarHBondContact CD1-O 3.38Å; Y74-S79 WeakPolarHBondContact CE1-O 3.46Å; Y74-W80 HydrophobicContact CD1-CB 3.83Å; Y74-W80 HydrophobicContact CD1-CE3 4.32Å; Y74-W80 HydrophobicContact CE1-CB 4.05Å; Y74-W80 HydrophobicContact CG-CE3 4.41Å
75	P	97.3	Very high	88.2	Confident	33 Å²	33	43.7 Å²	43.7	21%	0.214	24%	0.238	C	C	.	.			trans	-71.5	-19	-170.2	24.7	-33.1	0	0	0	114.9	E20 N21 F22 S46 E73 S79	E20-P75 WeakPolarHBondContact CA-O 3.49Å; N21-P75 PolarHBondContact N-O 3.05Å; F22-P75 HydrophobicContact CE2-CB 4.17Å; F22-P75 HydrophobicContact CZ-CB 3.88Å; S46-P75 WeakPolarHBondContact CB-O 3.45Å; E73-P75 WeakPolarHBondContact O-CD 3.43Å; P75-S79 WeakPolarHBondContact CD-OG 3.06Å
76	H	94.4	Very high	87.1	Confident	60 Å²	60	45.2 Å²	45.2	28%	0.278	24%	0.244	S	C	.	.	S	Bend	trans	-154.4	165.9	178.8	52.9	91.8	0	0	0	110.2	E20 R45 Y74 E78 S79 W80	E20-H76 HydrophobicContact CG-CB 4.36Å; R45-H76 WeakPolarHBondContact O-CA 3.38Å; Y74-H76 VanDerWaalsContact C-N 3.31Å; Y74-H76 PolarHBondContact O-N 3.04Å; H76-E78 VanDerWaalsContact C-N 3.29Å; H76-E78 IonicContact CE1-OE2 2.61Å; H76-E78 WeakPolarHBondContact ND1-CB 3.4Å; H76-E78 IonicContact ND1-OE2 3.6Å; H76-E78 PolarHBondContact ND1-OE2 2.82Å; H76-E78 PolarHBondContact O-N 2.83Å; H76-S79 PolarHBondContact CE1-OG 2.93Å; H76-S79 PolarHBondContact NE2-OG 2.84Å; H76-S79 WeakPolarHBondContact O-CB 3.26Å; H76-S79 PolarHBondContact O-N 3.49Å; H76-S79 PolarHBondContact O-OG 3.36Å; H76-W80 VanDerWaalsContact C-CZ3 3.44Å; H76-W80 VanDerWaalsContact O-CE3 3.31Å; H76-W80 VanDerWaalsContact O-CZ3 3.23Å; H76-W80 WeakPolarHBondContact O-CZ3 3.31Å
77	W	91.3	Very high	86.2	Confident	19 Å²	19	50.5 Å²	50.5	7%	0.072	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-30.5	-170.7	72.8	-90.2	0	0	0	115.4	S79 W80 S81 H87 E89	W77-S79 PolarHBondContact O-N 2.76Å; W77-W80 VanDerWaalsContact CA-CE2 3.46Å; W77-W80 HydrophobicContact CB-CH2 3.79Å; W77-W80 HydrophobicContact CB-CZ2 3.4Å; W77-W80 HydrophobicContact CB-CZ3 4.45Å; W77-W80 PolarHBondContact O-N 3.34Å; W77-S81 VanDerWaalsContact CZ3-OG 3.28Å; W77-S81 WeakPolarHBondContact CZ3-OG 3.4Å; W77-S81 PolarHBondContact O-N 2.57Å; W77-S81 PolarHBondContact O-OG 3.12Å; W77-H87 HydrophobicContact CH2-CB 4.43Å; W77-H87 AromaticContact CH2-ND1 3.63Å; W77-E89 HydrophobicContact CB-CB 4.2Å; W77-E89 HydrophobicContact CD2-CB 3.91Å; W77-E89 HydrophobicContact CD2-CG 3.69Å; W77-E89 HydrophobicContact CE3-CB 4.47Å; W77-E89 HydrophobicContact CE3-CG 4.3Å; W77-E89 HydrophobicContact CG-CB 3.72Å; W77-E89 HydrophobicContact CG-CG 3.89Å; W77-E89 HydrophobicContact CZ2-CG 4.07Å; W77-E89 PolarHBondContact NE1-OE1 2.74Å; W77-E89 VanDerWaalsContact NE1-OE1 3.09Å
78	E	90.8	Very high	85.6	Confident	100 Å²	100	51.9 Å²	51.9	47%	0.467	28%	0.275	S	S	.	.	H	α-helix	trans	-63.1	-23.1	175.8	-52.9	174.7	134.3	0	0	112.2	H76 W80 S81	H76-E78 VanDerWaalsContact C-N 3.29Å; H76-E78 IonicContact CE1-OE2 2.61Å; H76-E78 WeakPolarHBondContact ND1-CB 3.4Å; H76-E78 IonicContact ND1-OE2 3.6Å; H76-E78 PolarHBondContact ND1-OE2 2.82Å; H76-E78 PolarHBondContact O-N 2.83Å; E78-W80 VanDerWaalsContact C-N 3.25Å; E78-W80 PolarHBondContact O-N 2.91Å; E78-S81 WeakPolarHBondContact CA-OG 3.11Å
79	S	91.6	Very high	85.2	Confident	46 Å²	46	55.3 Å²	55.3	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-66.7	-24.6	179.1	-58	0	0	0	0	112.9	Y74 P75 H76 W77	Y74-S79 WeakPolarHBondContact CD1-O 3.38Å; Y74-S79 WeakPolarHBondContact CE1-O 3.46Å; P75-S79 WeakPolarHBondContact CD-OG 3.06Å; H76-S79 PolarHBondContact CE1-OG 2.93Å; H76-S79 PolarHBondContact NE2-OG 2.84Å; H76-S79 WeakPolarHBondContact O-CB 3.26Å; H76-S79 PolarHBondContact O-N 3.49Å; H76-S79 PolarHBondContact O-OG 3.36Å; W77-S79 PolarHBondContact O-N 2.76Å
80	W	91.1	Very high	85	Confident	6 Å²	6	61.3 Å²	61.3	2%	0.023	31%	0.314	C	S	.	.	H	α-helix	trans	-111.1	-24	178	60.6	81.2	0	0	0	114.5	I44 R45 L47 F67 L69 Y74 H76 W77 E78 G82 M91 Q161	I44-W80 HydrophobicContact CG2-CH2 4.33Å; R45-W80 WeakPolarHBondContact O-CH2 3.45Å; L47-W80 HydrophobicContact CD2-CE3 4.29Å; L47-W80 HydrophobicContact CD2-CZ3 4.38Å; L47-W80 HydrophobicContact CG-CE3 4.47Å; L47-W80 HydrophobicContact CG-CZ3 4.43Å; F67-W80 AromaticContact CD1-CD1 3.9Å; F67-W80 AromaticContact CG-CD1 3.8Å; L69-W80 HydrophobicContact CD2-CB 3.47Å; L69-W80 VanDerWaalsContact CD2-CB 3.47Å; L69-W80 HydrophobicContact CD2-CG 4.12Å; Y74-W80 HydrophobicContact CD1-CB 3.83Å; Y74-W80 HydrophobicContact CD1-CE3 4.32Å; Y74-W80 HydrophobicContact CE1-CB 4.05Å; Y74-W80 HydrophobicContact CG-CE3 4.41Å; H76-W80 VanDerWaalsContact C-CZ3 3.44Å; H76-W80 VanDerWaalsContact O-CE3 3.31Å; H76-W80 VanDerWaalsContact O-CZ3 3.23Å; H76-W80 WeakPolarHBondContact O-CZ3 3.31Å; W77-W80 VanDerWaalsContact CA-CE2 3.46Å; W77-W80 HydrophobicContact CB-CH2 3.79Å; W77-W80 HydrophobicContact CB-CZ2 3.4Å; W77-W80 HydrophobicContact CB-CZ3 4.45Å; W77-W80 PolarHBondContact O-N 3.34Å; E78-W80 VanDerWaalsContact C-N 3.25Å; E78-W80 PolarHBondContact O-N 2.91Å; W80-G82 VanDerWaalsContact C-N 3.33Å; W80-G82 PolarHBondContact O-N 2.82Å; W80-M91 HydrophobicContact CD2-CE 4.08Å; W80-M91 HydrophobicContact CG-CE 3.92Å; W80-M91 HydrophobicContact CZ2-CE 4.37Å; W80-Q161 PolarHBondContact O-NE2 2.83Å
81	S	84.9	Confident	84.9	Confident	10 Å²	10	60.1 Å²	60.1	7%	0.07	31%	0.308	C	S	.	.	H	α-helix	trans	-73	-25.1	-178.6	65.5	0	0	0	0	113	W77 E78 S83 Q161	W77-S81 VanDerWaalsContact CZ3-OG 3.28Å; W77-S81 WeakPolarHBondContact CZ3-OG 3.4Å; W77-S81 PolarHBondContact O-N 2.57Å; W77-S81 PolarHBondContact O-OG 3.12Å; E78-S81 WeakPolarHBondContact CA-OG 3.11Å; S81-S83 PolarHBondContact O-N 2.96Å; S81-S83 VanDerWaalsContact O-N 3.11Å; S81-Q161 PolarHBondContact O-NE2 3.43Å; S81-Q161 VanDerWaalsContact O-NE2 3.12Å
82	G	66.3	Low	85	Confident	38 Å²	38	52.2 Å²	52.2	39%	0.392	28%	0.279	S	S	.	.			trans	72.5	-2.1	165.4	0	0	0	0	0	116.6	W80	W80-G82 VanDerWaalsContact C-N 3.33Å; W80-G82 PolarHBondContact O-N 2.82Å
83	S	61	Low	85	Confident	27 Å²	27	50.9 Å²	50.9	19%	0.189	27%	0.265	C	S	.	.			trans	-169.7	139.8	172.9	-179.7	0	0	0	0	113.2	S81 A85 Y86 G159	S81-S83 PolarHBondContact O-N 2.96Å; S81-S83 VanDerWaalsContact O-N 3.11Å; S83-A85 PolarHBondContact O-N 3.2Å; S83-A85 WeakPolarHBondContact OG-CB 3.49Å; S83-A85 PolarHBondContact OG-N 2.95Å; S83-A85 VanDerWaalsContact OG-N 3.14Å; S83-Y86 PolarHBondContact O-N 3.29Å; S83-G159 VanDerWaalsContact CB-N 3.28Å
84	N	58.2	Low	85.1	Confident	109 Å²	109	45 Å²	45	58%	0.583	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-7.3	167.1	-94.1	-1.5	0	0	0	114.5	Y86 H87	N84-Y86 PolarHBondContact O-N 2.86Å; N84-H87 PolarHBondContact O-CD2 3Å; N84-H87 PolarHBondContact O-NE2 2.97Å; N84-H87 PolarHBondContact OD1-CE1 3.16Å
85	A	60.2	Low	85.1	Confident	58 Å²	58	44.4 Å²	44.4	48%	0.479	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-21.7	178.4	0	0	0	0	0	113	S83 F154	S83-A85 PolarHBondContact O-N 3.2Å; S83-A85 WeakPolarHBondContact OG-CB 3.49Å; S83-A85 PolarHBondContact OG-N 2.95Å; S83-A85 VanDerWaalsContact OG-N 3.14Å; A85-F154 HydrophobicContact CB-CE2 4.22Å
86	Y	70.4	Confident	85.1	Confident	36 Å²	36	43.7 Å²	43.7	14%	0.141	23%	0.231	C	C	.	.	S	Bend	trans	-137.4	90	178.9	-162.9	-111.9	0	0	0	111.1	E58 Q65 S83 N84 I88 Y160 H182	E58-Y86 PolarHBondContact OE2-OH 3.31Å; Q65-Y86 HydrophobicContact CB-CD1 4.16Å; Q65-Y86 HydrophobicContact CB-CE1 3.46Å; Q65-Y86 VanDerWaalsContact CB-CE1 3.46Å; Q65-Y86 HydrophobicContact CG-CD1 3.82Å; Q65-Y86 HydrophobicContact CG-CE1 3.66Å; S83-Y86 PolarHBondContact O-N 3.29Å; N84-Y86 PolarHBondContact O-N 2.86Å; Y86-I88 VanDerWaalsContact C-N 3.27Å; Y86-I88 HydrophobicContact CD1-CB 3.89Å; Y86-I88 HydrophobicContact CD1-CD1 4.1Å; Y86-I88 HydrophobicContact CD1-CG1 3.68Å; Y86-I88 HydrophobicContact CE1-CB 3.73Å; Y86-I88 HydrophobicContact CE1-CD1 3.22Å; Y86-I88 HydrophobicContact CE1-CG1 3.32Å; Y86-I88 HydrophobicContact CE1-CG2 4.46Å; Y86-I88 HydrophobicContact CE2-CD1 3.99Å; Y86-I88 HydrophobicContact CE2-CG1 4.26Å; Y86-I88 HydrophobicContact CG-CG1 4.32Å; Y86-I88 PolarHBondContact O-N 3.45Å; Y86-I88 WeakPolarHBondContact OH-CD1 3.42Å; Y86-Y160 HydrophobicContact CD1-CD1 4.39Å; Y86-Y160 AromaticContact CD1-CE1 3.97Å; Y86-Y160 HydrophobicContact CD1-CE1 3.97Å; Y86-Y160 HydrophobicContact CD2-CD1 4.19Å; Y86-Y160 AromaticContact CD2-CE1 3.15Å; Y86-Y160 HydrophobicContact CD2-CE1 3.15Å; Y86-Y160 AromaticContact CD2-CZ 3.54Å; Y86-Y160 VanDerWaalsContact CD2-OH 3.25Å; Y86-Y160 WeakPolarHBondContact CD2-OH 3.27Å; Y86-Y160 HydrophobicContact CE1-CE1 4.09Å; Y86-Y160 HydrophobicContact CE2-CD1 4.5Å; Y86-Y160 AromaticContact CE2-CE1 3.32Å; Y86-Y160 HydrophobicContact CE2-CE1 3.32Å; Y86-Y160 AromaticContact CE2-CZ 3.72Å; Y86-Y160 VanDerWaalsContact CE2-OH 3.24Å; Y86-Y160 WeakPolarHBondContact CE2-OH 3.25Å; Y86-Y160 HydrophobicContact CG-CD1 4.08Å; Y86-Y160 AromaticContact CG-CE1 3.46Å; Y86-Y160 HydrophobicContact CG-CE1 3.46Å; Y86-Y160 VanDerWaalsContact CG-CE1 3.46Å; Y86-Y160 AromaticContact CZ-CE1 3.76Å; Y86-H182 AromaticContact CE2-NE2 3.9Å; Y86-H182 AromaticContact CZ-NE2 3.64Å; Y86-H182 PolarHBondContact OH-CE1 3.14Å; Y86-H182 PolarHBondContact OH-NE2 3.22Å
87	H	76.2	Confident	85.2	Confident	120 Å²	120	40.9 Å²	40.9	56%	0.556	22%	0.218	S	C	*	.			trans	-76.2	73.2	-178.9	-75.5	-82	0	0	0	111.7	W77 N84	W77-H87 HydrophobicContact CH2-CB 4.43Å; W77-H87 AromaticContact CH2-ND1 3.63Å; N84-H87 PolarHBondContact O-CD2 3Å; N84-H87 PolarHBondContact O-NE2 2.97Å; N84-H87 PolarHBondContact OD1-CE1 3.16Å
88	I	82.9	Confident	85.4	Confident	32 Å²	32	43.5 Å²	43.5	16%	0.164	24%	0.238	C	C	.	.			trans	-121.8	111.5	173.6	-64	-150.9	0	0	0	109.8	E58 Y86 R90	E58-I88 HydrophobicContact CB-CG2 4.43Å; E58-I88 VanDerWaalsContact CD-CD1 3.5Å; E58-I88 HydrophobicContact CG-CD1 4.44Å; E58-I88 HydrophobicContact CG-CG2 3.68Å; E58-I88 WeakPolarHBondContact OE1-CD1 3.35Å; Y86-I88 VanDerWaalsContact C-N 3.27Å; Y86-I88 HydrophobicContact CD1-CB 3.89Å; Y86-I88 HydrophobicContact CD1-CD1 4.1Å; Y86-I88 HydrophobicContact CD1-CG1 3.68Å; Y86-I88 HydrophobicContact CE1-CB 3.73Å; Y86-I88 HydrophobicContact CE1-CD1 3.22Å; Y86-I88 HydrophobicContact CE1-CG1 3.32Å; Y86-I88 HydrophobicContact CE1-CG2 4.46Å; Y86-I88 HydrophobicContact CE2-CD1 3.99Å; Y86-I88 HydrophobicContact CE2-CG1 4.26Å; Y86-I88 HydrophobicContact CG-CG1 4.32Å; Y86-I88 PolarHBondContact O-N 3.45Å; Y86-I88 WeakPolarHBondContact OH-CD1 3.42Å; I88-R90 VanDerWaalsContact C-N 3.29Å; I88-R90 HydrophobicContact CG2-CB 4.03Å
89	E	88.6	Confident	85.5	Confident	80 Å²	80	39.4 Å²	39.4	37%	0.374	22%	0.22	S	C	.	.			trans	-85	-6.9	177.8	-39	-168.6	155.9	0	0	112.8	N43 R45 W77	N43-E89 PolarHBondContact ND2-O 2.94Å; R45-E89 IonicContact CZ-OE2 3.24Å; R45-E89 IonicContact NH1-OE2 2.73Å; R45-E89 PolarHBondContact NH1-OE2 2.77Å; W77-E89 HydrophobicContact CB-CB 4.2Å; W77-E89 HydrophobicContact CD2-CB 3.91Å; W77-E89 HydrophobicContact CD2-CG 3.69Å; W77-E89 HydrophobicContact CE3-CB 4.47Å; W77-E89 HydrophobicContact CE3-CG 4.3Å; W77-E89 HydrophobicContact CG-CB 3.72Å; W77-E89 HydrophobicContact CG-CG 3.89Å; W77-E89 HydrophobicContact CZ2-CG 4.07Å; W77-E89 PolarHBondContact NE1-OE1 2.74Å; W77-E89 VanDerWaalsContact NE1-OE1 3.09Å
90	R	93	Very high	85.6	Confident	126 Å²	126	37.6 Å²	37.6	48%	0.475	21%	0.208	S	C	.	.			trans	-84.5	130.5	-171.9	-171.7	-172.9	-69.8	142.6	-3.6	110.4	N43 E58 I88 M92	N43-R90 WeakPolarHBondContact OD1-CA 3.43Å; E58-R90 WeakPolarHBondContact CA-O 3.46Å; E58-R90 HydrophobicContact CG-CB 4.46Å; E58-R90 VanDerWaalsContact O-CD 3.3Å; E58-R90 WeakPolarHBondContact O-CD 3.38Å; E58-R90 WeakPolarHBondContact O-CG 3.27Å; I88-R90 VanDerWaalsContact C-N 3.29Å; I88-R90 HydrophobicContact CG2-CB 4.03Å; R90-M92 HydrophobicContact CG-CG 3.64Å; R90-M92 HydrophobicContact CG-SD 3.65Å
91	M	95.9	Very high	85.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.			trans	-136.4	117.5	165.3	-174.4	-173.8	-59.1	0	0	108.7	I36 N43 I44 L47 Y57 F67 L69 W80	I36-M91 WeakPolarHBondContact CD1-O 3.46Å; N43-M91 PolarHBondContact OD1-N 3.11Å; N43-M91 VanDerWaalsContact OD1-N 3.1Å; I44-M91 HydrophobicContact CD1-CB 4.38Å; I44-M91 HydrophobicContact CD1-CG 4.17Å; I44-M91 HydrophobicContact CD1-SD 3.97Å; L47-M91 HydrophobicContact CD2-CE 4.12Å; L47-M91 HydrophobicContact CD2-SD 4.16Å; Y57-M91 CarbonylContact O-C 3.52Å; Y57-M91 WeakPolarHBondContact O-CA 3.44Å; F67-M91 HydrophobicContact CB-CE 4.23Å; F67-M91 HydrophobicContact CD2-CE 3.84Å; F67-M91 HydrophobicContact CG-CE 4.27Å; L69-M91 HydrophobicContact CD1-CE 4Å; L69-M91 HydrophobicContact CD1-SD 4Å; L69-M91 HydrophobicContact CD2-CE 4.17Å; W80-M91 HydrophobicContact CD2-CE 4.08Å; W80-M91 HydrophobicContact CG-CE 3.92Å; W80-M91 HydrophobicContact CZ2-CE 4.37Å
92	M	97.5	Very high	86	Confident	16 Å²	16	41.3 Å²	41.3	8%	0.079	23%	0.226	C	C	.	.			trans	-114.1	-15.8	-172	-58.4	-57.5	-66	0	0	114.1	N35 I36 M37 Y57 E58 R90	N35-M92 WeakPolarHBondContact CA-O 3.37Å; I36-M92 HydrophobicContact CD1-CE 4.24Å; I36-M92 HydrophobicContact CD1-SD 3.99Å; I36-M92 HydrophobicContact CG1-CE 3.94Å; I36-M92 HydrophobicContact CG1-SD 4.26Å; I36-M92 PolarHBondContact N-O 2.87Å; M37-M92 HydrophobicContact CE-CE 3.86Å; M37-M92 HydrophobicContact CG-CE 3.45Å; M37-M92 VanDerWaalsContact CG-CE 3.45Å; M37-M92 HydrophobicContact SD-CE 3.69Å; Y57-M92 PolarHBondContact O-N 3.02Å; E58-M92 WeakPolarHBondContact O-CG 3.42Å; R90-M92 HydrophobicContact CG-CG 3.64Å; R90-M92 HydrophobicContact CG-SD 3.65Å
93	S	98.5	Very high	87.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	156.9	176.8	67.2	0	0	0	0	111.4	C33 Q34 Y57 H59 F62	C33-S93 VanDerWaalsContact O-CA 3.28Å; C33-S93 WeakPolarHBondContact O-CA 3.42Å; C33-S93 WeakPolarHBondContact O-CB 3.37Å; Q34-S93 WeakPolarHBondContact O-CB 3.44Å; Y57-S93 WeakPolarHBondContact CB-OG 3.38Å; Y57-S93 PolarHBondContact N-O 3Å; Y57-S93 PolarHBondContact O-N 3.49Å; H59-S93 PolarHBondContact O-OG 3.06Å; F62-S93 WeakPolarHBondContact CA-OG 3.46Å; F62-S93 PolarHBondContact N-OG 2.94Å
94	F	98.5	Very high	88.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	158	178.1	52.9	-94.1	0	0	0	111.5	I14 V16 F29 A32 C33 I36 I44 W54 A55 F62	I14-F94 HydrophobicContact CG2-CD2 4.08Å; I14-F94 HydrophobicContact CG2-CE2 3.78Å; V16-F94 HydrophobicContact CG1-CE1 4.17Å; V16-F94 HydrophobicContact CG1-CZ 4.33Å; F29-F94 HydrophobicContact CB-CE2 3.75Å; F29-F94 HydrophobicContact CB-CZ 4.18Å; F29-F94 HydrophobicContact CD1-CE2 4.09Å; F29-F94 AromaticContact CD1-CZ 3.91Å; F29-F94 HydrophobicContact CD1-CZ 3.91Å; F29-F94 AromaticContact CD2-CE2 3.92Å; F29-F94 HydrophobicContact CD2-CE2 3.92Å; F29-F94 AromaticContact CD2-CZ 3.44Å; F29-F94 HydrophobicContact CD2-CZ 3.44Å; F29-F94 VanDerWaalsContact CD2-CZ 3.44Å; F29-F94 HydrophobicContact CE1-CZ 4.11Å; F29-F94 HydrophobicContact CE2-CE1 4.49Å; F29-F94 AromaticContact CE2-CZ 3.66Å; F29-F94 HydrophobicContact CE2-CZ 3.66Å; F29-F94 AromaticContact CG-CE2 3.66Å; F29-F94 HydrophobicContact CG-CE2 3.66Å; F29-F94 AromaticContact CG-CZ 3.57Å; F29-F94 HydrophobicContact CG-CZ 3.57Å; F29-F94 AromaticContact CZ-CZ 3.98Å; F29-F94 HydrophobicContact CZ-CZ 3.98Å; A32-F94 CarbonylContact C-O 3.12Å; A32-F94 WeakPolarHBondContact CA-O 3.28Å; C33-F94 HydrophobicContact CB-CD1 4.44Å; C33-F94 HydrophobicContact CB-CD2 4.29Å; C33-F94 HydrophobicContact CB-CE1 3.87Å; C33-F94 HydrophobicContact CB-CE2 3.7Å; C33-F94 HydrophobicContact CB-CZ 3.45Å; C33-F94 VanDerWaalsContact CB-CZ 3.45Å; C33-F94 PolarHBondContact N-O 3.49Å; C33-F94 PolarHBondContact O-N 3.11Å; I36-F94 HydrophobicContact CG2-CD1 4.4Å; I36-F94 HydrophobicContact CG2-CE1 3.75Å; I44-F94 HydrophobicContact CD1-CD1 3.92Å; I44-F94 HydrophobicContact CD1-CE1 3.84Å; W54-F94 AromaticContact CE3-CD2 3.75Å; W54-F94 HydrophobicContact CE3-CD2 3.75Å; W54-F94 HydrophobicContact CE3-CE2 4.46Å; W54-F94 AromaticContact CZ3-CD2 3.74Å; W54-F94 HydrophobicContact CZ3-CD2 3.74Å; W54-F94 HydrophobicContact CZ3-CE2 4.07Å; A55-F94 CarbonylContact O-C 3.41Å; A55-F94 WeakPolarHBondContact O-CA 3.48Å; A55-F94 WeakPolarHBondContact O-CB 3.47Å; F62-F94 WeakPolarHBondContact CE1-O 3.11Å
95	R	98.1	Very high	90.7	Very high	17 Å²	17	48.7 Å²	48.7	6%	0.064	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	158.9	178.5	64.5	176.2	178.7	89.2	-1.7	112	A32 W54 A55 Y57 F62 E165 R168	A32-R95 HydrophobicContact CB-CB 3.55Å; W54-R95 CarbonylContact C-O 3.54Å; W54-R95 VanDerWaalsContact CA-O 3.26Å; W54-R95 WeakPolarHBondContact CA-O 3.08Å; A55-R95 HydrophobicContact CB-CG 4.15Å; A55-R95 PolarHBondContact N-O 3.12Å; A55-R95 PolarHBondContact O-N 3.38Å; Y57-R95 HydrophobicContact CE2-CG 4.1Å; Y57-R95 PolarHBondContact OH-NE 3.33Å; Y57-R95 PolarHBondContact OH-NH2 2.73Å; F62-R95 HydrophobicContact CD1-CB 4.46Å; F62-R95 HydrophobicContact CE1-CB 4Å; F62-R95 HydrophobicContact CZ-CB 4.37Å; R95-E165 IonicContact CZ-OE1 3.5Å; R95-E165 VanDerWaalsContact CZ-OE1 3.24Å; R95-E165 IonicContact CZ-OE2 3.51Å; R95-E165 VanDerWaalsContact NH1-CD 3.33Å; R95-E165 IonicContact NH1-OE1 3.69Å; R95-E165 PolarHBondContact NH1-OE1 3.17Å; R95-E165 IonicContact NH1-OE2 3.72Å; R95-E165 PolarHBondContact NH1-OE2 2.83Å; R95-E165 IonicContact NH2-OE1 3.81Å; R95-E165 PolarHBondContact NH2-OE1 3.09Å; R95-E165 IonicContact NH2-OE2 3.93Å; R95-R168 VanDerWaalsContact CD-NH2 3.29Å; R95-R168 VanDerWaalsContact NE-CZ 3.3Å; R95-R168 VanDerWaalsContact NH2-CZ 3.27Å
96	P	97.4	Very high	92.5	Very high	18 Å²	18	48.7 Å²	48.7	12%	0.117	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	150.1	167.7	-21.2	33.6	0	0	0	112.3	W12 W54	W12-P96 HydrophobicContact CB-CG 4.39Å; W12-P96 HydrophobicContact CD2-CB 4.1Å; W12-P96 HydrophobicContact CG-CB 4Å; W12-P96 HydrophobicContact CG-CG 4.34Å; W54-P96 HydrophobicContact CD2-CG 4.48Å; W54-P96 HydrophobicContact CE3-CG 4.08Å; W54-P96 HydrophobicContact CH2-CG 3.85Å; W54-P96 HydrophobicContact CZ2-CG 4.27Å; W54-P96 HydrophobicContact CZ3-CG 3.75Å
97	I	97.1	Very high	93.8	Very high	1 Å²	1	47 Å²	47	1%	0.005	22%	0.224	C	C	.	.			trans	-103.5	90	167.8	-58.9	175.8	0	0	0	106.5	A53 A55 S99 A100 A148 I163 E165 I194	A53-I97 HydrophobicContact CB-CB 4.18Å; A53-I97 HydrophobicContact CB-CD1 4.34Å; A53-I97 PolarHBondContact O-N 3.11Å; A55-I97 HydrophobicContact CB-CD1 4.03Å; A55-I97 HydrophobicContact CB-CG1 3.94Å; I97-S99 VanDerWaalsContact C-N 3.3Å; I97-S99 PolarHBondContact O-N 3.03Å; I97-A100 HydrophobicContact CB-CB 4.41Å; I97-A100 HydrophobicContact CG2-CB 3.92Å; I97-A100 WeakPolarHBondContact O-CB 3.21Å; I97-A100 PolarHBondContact O-N 2.82Å; I97-A148 HydrophobicContact CG2-CB 3.48Å; I97-A148 VanDerWaalsContact CG2-CB 3.48Å; I97-I163 HydrophobicContact CD1-CD1 4.11Å; I97-I163 HydrophobicContact CD1-CG2 4.11Å; I97-E165 HydrophobicContact CG2-CG 4Å; I97-E165 WeakPolarHBondContact CG2-OE2 3.26Å; I97-I194 HydrophobicContact CD1-CD1 3.79Å; I97-I194 HydrophobicContact CD1-CG2 4.37Å; I97-I194 HydrophobicContact CG2-CD1 4.47Å
98	C	94.1	Very high	94.9	Very high	74 Å²	74	41.6 Å²	41.6	50%	0.5	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-28.3	-171.4	-64.1	0	0	0	0	113	W12 A100	W12-C98 HydrophobicContact CH2-CB 4.39Å; W12-C98 HydrophobicContact CZ2-CB 4.2Å; C98-A100 VanDerWaalsContact C-N 3.29Å; C98-A100 PolarHBondContact O-N 3Å
99	S	94.4	Very high	95.6	Very high	13 Å²	13	40 Å²	40	9%	0.091	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-2.2	178.3	45	0	0	0	0	113.9	I97 N101 G147 A148 E165 C166 D167	I97-S99 VanDerWaalsContact C-N 3.3Å; I97-S99 PolarHBondContact O-N 3.03Å; S99-N101 PolarHBondContact O-N 3.03Å; S99-G147 CarbonylContact O-C 3.56Å; S99-G147 WeakPolarHBondContact O-CA 3.43Å; S99-A148 PolarHBondContact O-N 2.93Å; S99-E165 WeakPolarHBondContact OG-CB 3.25Å; S99-E165 WeakPolarHBondContact OG-CG 3.24Å; S99-C166 WeakPolarHBondContact CB-SG 3.13Å; S99-D167 VanDerWaalsContact CB-OD1 3.27Å; S99-D167 WeakPolarHBondContact CB-OD1 3.43Å; S99-D167 PolarHBondContact OG-OD1 3.47Å
100	A	94.1	Very high	96	Very high	9 Å²	9	36.8 Å²	36.8	7%	0.074	18%	0.176	C	C	.	.			trans	-60.6	111.4	178.3	0	0	0	0	0	111.4	A53 I97 C98 A148 I194 Q196	A53-A100 HydrophobicContact CB-CB 3.98Å; I97-A100 HydrophobicContact CB-CB 4.41Å; I97-A100 HydrophobicContact CG2-CB 3.92Å; I97-A100 WeakPolarHBondContact O-CB 3.21Å; I97-A100 PolarHBondContact O-N 2.82Å; C98-A100 VanDerWaalsContact C-N 3.29Å; C98-A100 PolarHBondContact O-N 3Å; A100-A148 HydrophobicContact CB-CB 4.44Å; A100-I194 HydrophobicContact CB-CG2 4.05Å; A100-Q196 HydrophobicContact CB-CB 4.38Å; A100-Q196 PolarHBondContact O-NE2 3.43Å; A100-Q196 PolarHBondContact O-OE1 3.26Å
101	N	93	Very high	96.1	Very high	48 Å²	48	35.6 Å²	35.6	26%	0.257	18%	0.176	S	C	.	.			trans	-145.4	83.5	176.9	-174.1	-13.4	0	0	0	109.7	S99 K103 E104 S105	S99-N101 PolarHBondContact O-N 3.03Å; N101-K103 PolarHBondContact O-N 2.99Å; N101-K103 VanDerWaalsContact O-N 3.08Å; N101-E104 PolarHBondContact ND2-OE2 2.85Å; N101-E104 PolarHBondContact O-N 2.9Å; N101-E104 VanDerWaalsContact O-N 3.11Å; N101-S105 PolarHBondContact O-N 2.99Å; N101-S105 PolarHBondContact O-OG 3.1Å
102	H	91.4	Very high	96.1	Very high	46 Å²	46	42.9 Å²	42.9	21%	0.213	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-37.9	-170.3	-177.8	80.4	0	0	0	113.9	D125 R193 Q195	H102-D125 IonicContact CE1-OD2 3.39Å; H102-R193 PolarHBondContact CE1-NE 2.83Å; H102-R193 WeakPolarHBondContact ND1-CB 3.43Å; H102-Q195 HydrophobicContact CB-CG 4.4Å
103	K	92.3	Very high	96.1	Very high	195 Å²	195	45.4 Å²	45.4	85%	0.848	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-27.8	-175.3	-67.9	-176.5	-179.4	178.4	0	113.9	N101	N101-K103 PolarHBondContact O-N 2.99Å; N101-K103 VanDerWaalsContact O-N 3.08Å
104	E	93.6	Very high	96	Very high	131 Å²	131	49.8 Å²	49.8	61%	0.612	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.2	3.1	-176.1	-62.9	178.4	173.2	0	0	111.9	N101 K106 S146	N101-E104 PolarHBondContact ND2-OE2 2.85Å; N101-E104 PolarHBondContact O-N 2.9Å; N101-E104 VanDerWaalsContact O-N 3.11Å; E104-K106 PolarHBondContact O-N 2.84Å; E104-S146 WeakPolarHBondContact O-CB 3.41Å; E104-S146 PolarHBondContact O-OG 2.84Å
105	S	97.3	Very high	96	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.021	25%	0.248	C	C	.	.			trans	-60.9	127.4	-179.9	-76.6	0	0	0	0	112	N101 S146 G147	N101-S105 PolarHBondContact O-N 2.99Å; N101-S105 PolarHBondContact O-OG 3.1Å; S105-S146 WeakPolarHBondContact CA-O 3.3Å; S105-G147 WeakPolarHBondContact OG-CA 3.36Å
106	K	98.3	Very high	96	Very high	58 Å²	58	55 Å²	55	25%	0.252	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	133.6	-179.2	-166.9	177.6	178.4	-159.3	0	110.8	E104 E121 I122 Q145 S146	E104-K106 PolarHBondContact O-N 2.84Å; K106-E121 WeakPolarHBondContact CE-OE1 3.31Å; K106-E121 WeakPolarHBondContact CE-OE2 3.39Å; K106-E121 HydrophobicContact CG-CG 4.33Å; K106-E121 IonicContact NZ-OE1 3.39Å; K106-E121 PolarHBondContact NZ-OE1 2.82Å; K106-E121 IonicContact NZ-OE2 3.18Å; K106-E121 PolarHBondContact NZ-OE2 3.42Å; K106-I122 WeakPolarHBondContact CA-O 3.25Å; K106-Q145 HydrophobicContact CB-CB 4.31Å; K106-Q145 HydrophobicContact CG-CB 4.46Å; K106-Q145 PolarHBondContact O-N 2.87Å; K106-S146 VanDerWaalsContact CB-OG 3.27Å; K106-S146 WeakPolarHBondContact CB-OG 3.18Å; K106-S146 PolarHBondContact N-O 3.39Å; K106-S146 PolarHBondContact N-OG 3.42Å; K106-S146 PolarHBondContact O-N 2.82Å
107	M	98.4	Very high	95.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148.4	179.4	-179.6	-168.2	-79.1	0	0	110.2	L109 I122 M142 Q143 V144 W149 M164	M107-L109 HydrophobicContact CG-CD2 4.07Å; M107-L109 HydrophobicContact SD-CD2 3.45Å; M107-L109 WeakPolarHBondContact SD-CD2 3.43Å; M107-I122 HydrophobicContact CB-CD1 4.15Å; M107-I122 HydrophobicContact CB-CG1 3.94Å; M107-I122 HydrophobicContact CG-CD1 4.49Å; M107-I122 PolarHBondContact N-O 3.43Å; M107-I122 WeakPolarHBondContact O-CG1 3.2Å; M107-I122 PolarHBondContact O-N 3.34Å; M107-I122 HydrophobicContact SD-CD1 4.16Å; M107-M142 HydrophobicContact CE-SD 4.2Å; M107-M142 HydrophobicContact CG-CB 4.46Å; M107-M142 HydrophobicContact SD-CB 4.23Å; M107-M142 HydrophobicContact SD-CG 4.13Å; M107-M142 HydrophobicContact SD-SD 3.74Å; M107-Q143 CarbonylContact C-O 3.57Å; M107-Q143 VanDerWaalsContact CA-O 3.31Å; M107-Q143 WeakPolarHBondContact CA-O 3.46Å; M107-V144 HydrophobicContact CE-CG2 3.65Å; M107-V144 HydrophobicContact CG-CG2 4.43Å; M107-W149 HydrophobicContact CB-CD2 4.24Å; M107-W149 HydrophobicContact CB-CZ2 4.02Å; M107-W149 HydrophobicContact CE-CB 3.4Å; M107-W149 VanDerWaalsContact CE-CB 3.4Å; M107-W149 HydrophobicContact CE-CD2 4.04Å; M107-W149 HydrophobicContact CE-CG 3.41Å; M107-W149 VanDerWaalsContact CE-CG 3.41Å; M107-W149 HydrophobicContact SD-CG 4.49Å; M107-M164 HydrophobicContact CE-CB 3.57Å; M107-M164 HydrophobicContact CE-CG 3.89Å
108	V	98.4	Very high	95.8	Very high	6 Å²	6	63.5 Å²	63.5	4%	0.036	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127	168.3	-173.3	0	0	0	0	108.9	F110 Q119 W120 E121 M142 Q143 Q145	V108-F110 HydrophobicContact CB-CE2 3.85Å; V108-F110 HydrophobicContact CB-CZ 4.13Å; V108-F110 HydrophobicContact CG1-CD2 4.23Å; V108-F110 HydrophobicContact CG1-CE1 4.13Å; V108-F110 HydrophobicContact CG1-CE2 3.57Å; V108-F110 HydrophobicContact CG1-CZ 3.51Å; V108-Q119 HydrophobicContact CG1-CB 3.93Å; V108-W120 CarbonylContact C-O 3.53Å; V108-W120 VanDerWaalsContact CA-O 3.32Å; V108-W120 WeakPolarHBondContact CA-O 2.86Å; V108-E121 HydrophobicContact CG2-CG 4.49Å; V108-M142 CarbonylContact O-C 3.6Å; V108-M142 WeakPolarHBondContact O-CA 3.37Å; V108-Q143 HydrophobicContact CB-CB 4.43Å; V108-Q143 PolarHBondContact N-O 2.9Å; V108-Q143 PolarHBondContact O-N 2.75Å; V108-Q145 HydrophobicContact CG2-CG 4.4Å
109	L	97.8	Very high	95.8	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	140.2	173.2	-51.1	-177.5	0	0	0	109.6	M107 Q119 W120 I122 L129 M132 W134 I139 M142 L191	M107-L109 HydrophobicContact CG-CD2 4.07Å; M107-L109 HydrophobicContact SD-CD2 3.45Å; M107-L109 WeakPolarHBondContact SD-CD2 3.43Å; L109-Q119 CarbonylContact O-C 3.58Å; L109-Q119 WeakPolarHBondContact O-CA 3.07Å; L109-W120 PolarHBondContact N-O 3Å; L109-W120 PolarHBondContact O-N 3Å; L109-I122 HydrophobicContact CD1-CD1 4.1Å; L109-I122 HydrophobicContact CD2-CD1 4.01Å; L109-I122 HydrophobicContact CG-CD1 4Å; L109-I122 HydrophobicContact CG-CG1 4.32Å; L109-L129 HydrophobicContact CD1-CD2 4.13Å; L109-M132 HydrophobicContact CD1-CE 4.37Å; L109-W134 HydrophobicContact CB-CH2 3.98Å; L109-W134 HydrophobicContact CB-CZ3 3.72Å; L109-W134 HydrophobicContact CD1-CE3 4.47Å; L109-W134 HydrophobicContact CD1-CZ3 4.4Å; L109-I139 HydrophobicContact CD1-CD1 4.14Å; L109-I139 HydrophobicContact CD2-CD1 4.07Å; L109-M142 HydrophobicContact CD2-CG 3.74Å; L109-M142 HydrophobicContact CD2-SD 3.97Å; L109-L191 HydrophobicContact CD1-CD2 4.01Å; L109-L191 HydrophobicContact CD2-CD2 4.06Å
110	F	97.4	Very high	95.9	Very high	12 Å²	12	67.2 Å²	67.2	5%	0.053	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.7	177.1	-61.7	-94.6	0	0	0	111	V108 R112 F115 Q119 G140 S141 Q143	V108-F110 HydrophobicContact CB-CE2 3.85Å; V108-F110 HydrophobicContact CB-CZ 4.13Å; V108-F110 HydrophobicContact CG1-CD2 4.23Å; V108-F110 HydrophobicContact CG1-CE1 4.13Å; V108-F110 HydrophobicContact CG1-CE2 3.57Å; V108-F110 HydrophobicContact CG1-CZ 3.51Å; F110-R112 VanDerWaalsContact C-N 3.25Å; F110-R112 PolarHBondContact O-N 2.93Å; F110-F115 VanDerWaalsContact CD1-C 3.47Å; F110-F115 HydrophobicContact CD1-CB 3.96Å; F110-F115 WeakPolarHBondContact CD1-O 3.38Å; F110-F115 HydrophobicContact CD2-CB 4.17Å; F110-F115 AromaticContact CD2-CD1 3.66Å; F110-F115 HydrophobicContact CD2-CD1 3.66Å; F110-F115 HydrophobicContact CD2-CG 4.34Å; F110-F115 HydrophobicContact CE1-CB 3.82Å; F110-F115 HydrophobicContact CE2-CB 4.04Å; F110-F115 AromaticContact CE2-CD1 3.67Å; F110-F115 HydrophobicContact CE2-CD1 3.67Å; F110-F115 HydrophobicContact CE2-CG 4.12Å; F110-F115 HydrophobicContact CG-CB 4.14Å; F110-F115 HydrophobicContact CG-CD1 4.31Å; F110-F115 HydrophobicContact CZ-CB 3.86Å; F110-F115 HydrophobicContact CZ-CD1 4.32Å; F110-F115 HydrophobicContact CZ-CG 4.33Å; F110-Q119 HydrophobicContact CD1-CB 3.78Å; F110-Q119 HydrophobicContact CE1-CB 3.78Å; F110-Q119 VanDerWaalsContact CE1-OE1 3.31Å; F110-G140 PolarHBondContact O-N 3.5Å; F110-S141 WeakPolarHBondContact CB-OG 3.41Å; F110-S141 PolarHBondContact N-O 2.94Å; F110-S141 PolarHBondContact O-N 3.21Å; F110-Q143 HydrophobicContact CE2-CB 4Å
111	E	94.8	Very high	96.1	Very high	100 Å²	100	72.2 Å²	72.2	47%	0.467	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	-37.1	-178.5	-176.4	-178.2	-177.7	0	0	112.2	R118	E111-R118 HydrophobicContact CB-CB 4.49Å; E111-R118 PolarHBondContact N-O 2.69Å; E111-R118 PolarHBondContact OE2-N 2.93Å
112	R	95.9	Very high	96.3	Very high	153 Å²	153	70 Å²	70	58%	0.577	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	164.9	-178	-59.7	178.1	59	-169.8	-3.3	111.2	F110 I116 G140 S141	F110-R112 VanDerWaalsContact C-N 3.25Å; F110-R112 PolarHBondContact O-N 2.93Å; R112-I116 HydrophobicContact CB-CB 4.09Å; R112-I116 HydrophobicContact CB-CG2 4.39Å; R112-I116 WeakPolarHBondContact CB-O 3.16Å; R112-I116 PolarHBondContact N-O 3.02Å; R112-G140 CarbonylContact O-C 3.55Å; R112-S141 PolarHBondContact O-N 3.26Å; R112-S141 PolarHBondContact O-OG 2.79Å
113	E	96.9	Very high	96.6	Very high	70 Å²	70	72.4 Å²	72.4	33%	0.327	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-57	160.9	171.7	-63.7	172.2	-172.9	0	0	112	F115 I116 G140 K174 H175 F186	E113-F115 PolarHBondContact O-N 2.81Å; E113-I116 PolarHBondContact O-N 2.62Å; E113-G140 WeakPolarHBondContact CA-O 3.43Å; E113-K174 WeakPolarHBondContact CA-O 3.34Å; E113-K174 WeakPolarHBondContact CB-O 3.37Å; E113-H175 IonicContact OE1-CD2 3.59Å; E113-H175 PolarHBondContact OE1-CD2 3.35Å; E113-H175 IonicContact OE1-NE2 3.55Å; E113-H175 IonicContact OE2-CD2 3.31Å; E113-H175 PolarHBondContact OE2-CD2 2.9Å; E113-F186 HydrophobicContact CG-CE1 3.96Å; E113-F186 WeakPolarHBondContact OE1-CE1 3.32Å; E113-F186 WeakPolarHBondContact OE1-CZ 3.15Å
114	N	97.5	Very high	96.8	Very high	91 Å²	91	67 Å²	67	49%	0.487	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	57.8	30.9	176.7	-54.7	-71	0	0	0	114.5	I116 K174	N114-I116 VanDerWaalsContact C-N 3.35Å; N114-I116 HydrophobicContact CB-CD1 4.28Å; N114-I116 PolarHBondContact O-N 2.93Å; N114-K174 PolarHBondContact N-O 2.85Å
115	F	97.8	Very high	97	Very high	49 Å²	49	62.9 Å²	62.9	22%	0.215	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	64.1	35.6	176.7	-42.7	-45	0	0	0	114.1	F110 E113 S141 M142 Q143 E172 K174	F110-F115 VanDerWaalsContact CD1-C 3.47Å; F110-F115 HydrophobicContact CD1-CB 3.96Å; F110-F115 WeakPolarHBondContact CD1-O 3.38Å; F110-F115 HydrophobicContact CD2-CB 4.17Å; F110-F115 AromaticContact CD2-CD1 3.66Å; F110-F115 HydrophobicContact CD2-CD1 3.66Å; F110-F115 HydrophobicContact CD2-CG 4.34Å; F110-F115 HydrophobicContact CE1-CB 3.82Å; F110-F115 HydrophobicContact CE2-CB 4.04Å; F110-F115 AromaticContact CE2-CD1 3.67Å; F110-F115 HydrophobicContact CE2-CD1 3.67Å; F110-F115 HydrophobicContact CE2-CG 4.12Å; F110-F115 HydrophobicContact CG-CB 4.14Å; F110-F115 HydrophobicContact CG-CD1 4.31Å; F110-F115 HydrophobicContact CZ-CB 3.86Å; F110-F115 HydrophobicContact CZ-CD1 4.32Å; F110-F115 HydrophobicContact CZ-CG 4.33Å; E113-F115 PolarHBondContact O-N 2.81Å; F115-S141 WeakPolarHBondContact CA-OG 3.32Å; F115-S141 WeakPolarHBondContact CD1-OG 3.45Å; F115-S141 PolarHBondContact N-OG 2.71Å; F115-M142 WeakPolarHBondContact CE1-O 3.43Å; F115-Q143 HydrophobicContact CE1-CB 4.47Å; F115-E172 HydrophobicContact CE2-CB 4.21Å; F115-E172 HydrophobicContact CE2-CG 3.95Å; F115-E172 HydrophobicContact CZ-CB 3.71Å; F115-E172 HydrophobicContact CZ-CG 3.83Å; F115-K174 HydrophobicContact CD2-CG 4.39Å; F115-K174 HydrophobicContact CE1-CG 3.99Å; F115-K174 HydrophobicContact CE2-CD 4.15Å; F115-K174 HydrophobicContact CE2-CG 3.65Å; F115-K174 HydrophobicContact CZ-CD 4.31Å; F115-K174 HydrophobicContact CZ-CG 3.4Å
116	I	97.6	Very high	97.1	Very high	79 Å²	79	65.1 Å²	65.1	41%	0.405	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	148.7	-176.7	-62	171.9	0	0	0	110.7	R112 E113 N114	R112-I116 HydrophobicContact CB-CB 4.09Å; R112-I116 HydrophobicContact CB-CG2 4.39Å; R112-I116 WeakPolarHBondContact CB-O 3.16Å; R112-I116 PolarHBondContact N-O 3.02Å; E113-I116 PolarHBondContact O-N 2.62Å; N114-I116 VanDerWaalsContact C-N 3.35Å; N114-I116 HydrophobicContact CB-CD1 4.28Å; N114-I116 PolarHBondContact O-N 2.93Å
117	G	95.4	Very high	97	Very high	51 Å²	51	65.8 Å²	65.8	53%	0.526	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	93.5	-156.4	170.9	0	0	0	0	0	112.4
118	R	94.8	Very high	97	Very high	146 Å²	146	67.3 Å²	67.3	55%	0.551	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	140.3	179.4	-166.6	172.2	169.3	-162.8	0	110.1	E111 W120	E111-R118 HydrophobicContact CB-CB 4.49Å; E111-R118 PolarHBondContact N-O 2.69Å; E111-R118 PolarHBondContact OE2-N 2.93Å; R118-W120 HydrophobicContact CB-CE3 4.3Å; R118-W120 HydrophobicContact CB-CH2 3.9Å; R118-W120 HydrophobicContact CB-CZ3 3.52Å; R118-W120 HydrophobicContact CG-CD2 4.46Å; R118-W120 HydrophobicContact CG-CE3 3.85Å; R118-W120 HydrophobicContact CG-CH2 3.45Å; R118-W120 VanDerWaalsContact CG-CH2 3.45Å; R118-W120 HydrophobicContact CG-CZ2 4.03Å; R118-W120 HydrophobicContact CG-CZ3 3.32Å; R118-W120 VanDerWaalsContact NE-CH2 3.34Å
119	Q	95.7	Very high	96.9	Very high	122 Å²	122	67 Å²	67	57%	0.57	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	151	-179.4	70.8	177.8	-11.9	0	0	112.3	V108 L109 F110	V108-Q119 HydrophobicContact CG1-CB 3.93Å; L109-Q119 CarbonylContact O-C 3.58Å; L109-Q119 WeakPolarHBondContact O-CA 3.07Å; F110-Q119 HydrophobicContact CD1-CB 3.78Å; F110-Q119 HydrophobicContact CE1-CB 3.78Å; F110-Q119 VanDerWaalsContact CE1-OE1 3.31Å
120	W	96.2	Very high	96.7	Very high	42 Å²	42	69.8 Å²	69.8	16%	0.159	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	125.6	175.2	-74.6	-107.3	0	0	0	110	V108 L109 R118 M132 W134	V108-W120 CarbonylContact C-O 3.53Å; V108-W120 VanDerWaalsContact CA-O 3.32Å; V108-W120 WeakPolarHBondContact CA-O 2.86Å; L109-W120 PolarHBondContact N-O 3Å; L109-W120 PolarHBondContact O-N 3Å; R118-W120 HydrophobicContact CB-CE3 4.3Å; R118-W120 HydrophobicContact CB-CH2 3.9Å; R118-W120 HydrophobicContact CB-CZ3 3.52Å; R118-W120 HydrophobicContact CG-CD2 4.46Å; R118-W120 HydrophobicContact CG-CE3 3.85Å; R118-W120 HydrophobicContact CG-CH2 3.45Å; R118-W120 VanDerWaalsContact CG-CH2 3.45Å; R118-W120 HydrophobicContact CG-CZ2 4.03Å; R118-W120 HydrophobicContact CG-CZ3 3.32Å; R118-W120 VanDerWaalsContact NE-CH2 3.34Å; W120-M132 HydrophobicContact CG-SD 4.4Å; W120-W134 AromaticContact CD2-CE3 3.89Å; W120-W134 HydrophobicContact CD2-CE3 3.89Å; W120-W134 AromaticContact CD2-CZ3 3.9Å; W120-W134 HydrophobicContact CD2-CZ3 3.9Å; W120-W134 AromaticContact CE3-CE3 3.54Å; W120-W134 HydrophobicContact CE3-CE3 3.54Å; W120-W134 HydrophobicContact CE3-CH2 4.17Å; W120-W134 AromaticContact CE3-CZ3 3.14Å; W120-W134 HydrophobicContact CE3-CZ3 3.14Å; W120-W134 HydrophobicContact CG-CE3 4.5Å; W120-W134 AromaticContact CH2-CE3 3.92Å; W120-W134 HydrophobicContact CH2-CE3 3.92Å; W120-W134 HydrophobicContact CH2-CZ3 4.1Å; W120-W134 HydrophobicContact CZ2-CE3 4.31Å; W120-W134 AromaticContact CZ3-CE3 3.55Å; W120-W134 HydrophobicContact CZ3-CE3 3.55Å; W120-W134 HydrophobicContact CZ3-CH2 4.01Å; W120-W134 AromaticContact CZ3-CZ3 3.26Å; W120-W134 HydrophobicContact CZ3-CZ3 3.26Å
121	E	97.4	Very high	96.6	Very high	115 Å²	115	73.5 Å²	73.5	54%	0.537	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.7	171.6	-175	176.1	113.1	0	0	109.3	K106 V108	K106-E121 WeakPolarHBondContact CE-OE1 3.31Å; K106-E121 WeakPolarHBondContact CE-OE2 3.39Å; K106-E121 HydrophobicContact CG-CG 4.33Å; K106-E121 IonicContact NZ-OE1 3.39Å; K106-E121 PolarHBondContact NZ-OE1 2.82Å; K106-E121 IonicContact NZ-OE2 3.18Å; K106-E121 PolarHBondContact NZ-OE2 3.42Å; V108-E121 HydrophobicContact CG2-CG 4.49Å
122	I	97.4	Very high	96.5	Very high	1 Å²	1	71 Å²	71	1%	0.005	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.1	-176.8	55.6	160	0	0	0	110.9	K106 M107 L109 Y126 M132 W149 L191	K106-I122 WeakPolarHBondContact CA-O 3.25Å; M107-I122 HydrophobicContact CB-CD1 4.15Å; M107-I122 HydrophobicContact CB-CG1 3.94Å; M107-I122 HydrophobicContact CG-CD1 4.49Å; M107-I122 PolarHBondContact N-O 3.43Å; M107-I122 WeakPolarHBondContact O-CG1 3.2Å; M107-I122 PolarHBondContact O-N 3.34Å; M107-I122 HydrophobicContact SD-CD1 4.16Å; L109-I122 HydrophobicContact CD1-CD1 4.1Å; L109-I122 HydrophobicContact CD2-CD1 4.01Å; L109-I122 HydrophobicContact CG-CD1 4Å; L109-I122 HydrophobicContact CG-CG1 4.32Å; I122-Y126 HydrophobicContact CB-CD2 4.48Å; I122-Y126 HydrophobicContact CB-CE2 3.73Å; I122-Y126 HydrophobicContact CG2-CD2 4.4Å; I122-Y126 HydrophobicContact CG2-CE2 3.7Å; I122-M132 HydrophobicContact CG2-CE 4.46Å; I122-W149 HydrophobicContact CB-CH2 4.43Å; I122-W149 HydrophobicContact CD1-CE3 4.34Å; I122-W149 HydrophobicContact CD1-CH2 3.96Å; I122-W149 HydrophobicContact CD1-CZ3 3.84Å; I122-W149 HydrophobicContact CG1-CH2 4.1Å; I122-W149 HydrophobicContact CG1-CZ3 4.47Å; I122-L191 HydrophobicContact CD1-CD1 3.36Å; I122-L191 HydrophobicContact CD1-CD2 3.75Å; I122-L191 HydrophobicContact CD1-CG 4.23Å
123	N	97.4	Very high	96.3	Very high	96 Å²	96	65.7 Å²	65.7	51%	0.513	36%	0.359	S	S	.	.			trans	-146.3	12.3	-178.8	60.7	0.3	0	0	0	112.6	R193	N123-R193 WeakPolarHBondContact O-CD 3.38Å; N123-R193 PolarHBondContact O-NH1 3.01Å
124	D	97.4	Very high	96.1	Very high	82 Å²	82	62.7 Å²	62.7	44%	0.439	34%	0.344	S	S	.	.	S	Bend	trans	-130	175.5	177.4	-147	-18.3	0	0	0	111.2	Y126 W149 R193	D124-Y126 HydrophobicContact CB-CE2 4.19Å; D124-Y126 WeakPolarHBondContact O-CD2 3.41Å; D124-Y126 WeakPolarHBondContact O-CE2 3.3Å; D124-W149 VanDerWaalsContact O-CZ3 3.26Å; D124-W149 WeakPolarHBondContact O-CZ3 3.37Å; D124-R193 IonicContact OD1-CZ 3.06Å; D124-R193 IonicContact OD1-NH1 3.82Å; D124-R193 IonicContact OD1-NH2 2.91Å; D124-R193 PolarHBondContact OD1-NH2 3.23Å
125	D	98.2	Very high	95.6	Very high	44 Å²	44	63.3 Å²	63.3	24%	0.235	36%	0.356	C	S	.	.			trans	-88.3	136.4	178.3	-54.2	-33.9	0	0	0	110.8	H102 R192 R193	H102-D125 IonicContact CE1-OD2 3.39Å; D125-R192 HydrophobicContact CB-CB 3.86Å; D125-R192 WeakPolarHBondContact OD1-CA 3.19Å; D125-R192 WeakPolarHBondContact OD1-CB 3.37Å; D125-R193 WeakPolarHBondContact OD1-CB 3.22Å; D125-R193 WeakPolarHBondContact OD1-CG 3.28Å; D125-R193 IonicContact OD1-CZ 2.62Å; D125-R193 PolarHBondContact OD1-N 2.8Å; D125-R193 IonicContact OD1-NE 2.94Å; D125-R193 PolarHBondContact OD1-NE 3.44Å; D125-R193 IonicContact OD1-NH2 3.72Å; D125-R193 IonicContact OD2-CZ 2.75Å; D125-R193 IonicContact OD2-NE 2.73Å; D125-R193 IonicContact OD2-NH2 2.84Å; D125-R193 PolarHBondContact OD2-NH2 3.18Å; D125-R193 VanDerWaalsContact OD2-NH2 3.12Å
126	Y	97.9	Very high	95.2	Very high	51 Å²	51	64.2 Å²	64.2	20%	0.2	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-125.7	96.2	-174.6	-66.8	-86.6	0	0	0	110.4	I122 D124 S128 L129 M132 S190 L191	I122-Y126 HydrophobicContact CB-CD2 4.48Å; I122-Y126 HydrophobicContact CB-CE2 3.73Å; I122-Y126 HydrophobicContact CG2-CD2 4.4Å; I122-Y126 HydrophobicContact CG2-CE2 3.7Å; D124-Y126 HydrophobicContact CB-CE2 4.19Å; D124-Y126 WeakPolarHBondContact O-CD2 3.41Å; D124-Y126 WeakPolarHBondContact O-CE2 3.3Å; Y126-S128 PolarHBondContact O-N 3.37Å; Y126-L129 HydrophobicContact CG-CD2 4.43Å; Y126-M132 HydrophobicContact CD1-CB 3.66Å; Y126-M132 HydrophobicContact CD1-CG 3.86Å; Y126-M132 HydrophobicContact CE1-CB 3.79Å; Y126-M132 HydrophobicContact CE1-CG 3.5Å; Y126-S190 CarbonylContact O-C 3.54Å; Y126-S190 WeakPolarHBondContact O-CA 3.49Å; Y126-S190 WeakPolarHBondContact O-CB 3.37Å; Y126-L191 CarbonylContact C-O 3.51Å; Y126-L191 HydrophobicContact CD2-CD1 3.79Å; Y126-L191 HydrophobicContact CG-CD1 4.48Å; Y126-L191 PolarHBondContact N-O 2.8Å; Y126-L191 PolarHBondContact O-N 3.12Å
127	P	97.3	Very high	94.9	Very high	72 Å²	72	63.9 Å²	63.9	47%	0.468	36%	0.362	S	S	.	.	S	Bend	trans	-69.5	-14.4	175.6	28.6	-34.4	0	0	0	112.6	P155 G156 Y157 S190	P127-P155 CarbonylContact O-C 3.51Å; P127-P155 WeakPolarHBondContact O-CA 3.38Å; P127-G156 PolarHBondContact O-N 3.18Å; P127-Y157 HydrophobicContact CB-CE1 4.29Å; P127-Y157 HydrophobicContact CB-CE2 4.25Å; P127-Y157 WeakPolarHBondContact CD-OH 3.43Å; P127-S190 VanDerWaalsContact O-CB 3.3Å; P127-S190 WeakPolarHBondContact O-CB 3.47Å
128	S	97.3	Very high	94.9	Very high	32 Å²	32	66 Å²	66	22%	0.224	36%	0.359	C	S	.	.			trans	-148	118.5	167.6	171.4	0	0	0	0	109.7	Y126 Q130 A131 M132 Q189	Y126-S128 PolarHBondContact O-N 3.37Å; S128-Q130 VanDerWaalsContact C-N 3.27Å; S128-Q130 PolarHBondContact O-N 3.23Å; S128-Q130 PolarHBondContact OG-N 3.02Å; S128-Q130 PolarHBondContact OG-OE1 2.99Å; S128-Q130 VanDerWaalsContact OG-OE1 3.09Å; S128-A131 PolarHBondContact O-N 3.07Å; S128-A131 PolarHBondContact OG-N 3.1Å; S128-A131 VanDerWaalsContact OG-N 3.16Å; S128-M132 PolarHBondContact O-N 2.99Å; S128-Q189 WeakPolarHBondContact CA-O 3.07Å
129	L	96.6	Very high	94.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-66.7	-33.2	173.8	-69.6	177.1	0	0	0	111.5	L109 Y126 A131 M132 G133 W134 I139 V188 Q189 L191	L109-L129 HydrophobicContact CD1-CD2 4.13Å; Y126-L129 HydrophobicContact CG-CD2 4.43Å; L129-A131 VanDerWaalsContact C-N 3.31Å; L129-A131 PolarHBondContact O-N 3.5Å; L129-M132 HydrophobicContact CD2-CE 3.87Å; L129-M132 WeakPolarHBondContact O-CA 3.19Å; L129-M132 WeakPolarHBondContact O-CB 3.42Å; L129-M132 PolarHBondContact O-N 3.28Å; L129-G133 PolarHBondContact O-N 3.07Å; L129-W134 HydrophobicContact CB-CB 3.85Å; L129-W134 HydrophobicContact CB-CG 4.23Å; L129-W134 WeakPolarHBondContact O-CB 3.45Å; L129-W134 PolarHBondContact O-N 3.36Å; L129-I139 HydrophobicContact CD1-CD1 3.73Å; L129-I139 HydrophobicContact CD1-CG1 4.31Å; L129-V188 HydrophobicContact CD1-CG1 4.07Å; L129-Q189 PolarHBondContact N-O 3.14Å; L129-L191 HydrophobicContact CD1-CD2 4.26Å; L129-L191 HydrophobicContact CD2-CD2 3.86Å; L129-L191 HydrophobicContact CD2-CG 3.99Å
130	Q	94.9	Very high	94.9	Very high	58 Å²	58	53.6 Å²	53.6	27%	0.271	31%	0.309	S	S	.	.	H	α-helix	trans	-64.1	-37.4	176.5	-58.3	84.9	-4.4	0	0	111.8	S128 M132 G133 W134 N137	S128-Q130 VanDerWaalsContact C-N 3.27Å; S128-Q130 PolarHBondContact O-N 3.23Å; S128-Q130 PolarHBondContact OG-N 3.02Å; S128-Q130 PolarHBondContact OG-OE1 2.99Å; S128-Q130 VanDerWaalsContact OG-OE1 3.09Å; Q130-M132 PolarHBondContact O-N 3.37Å; Q130-G133 PolarHBondContact O-N 3.45Å; Q130-W134 WeakPolarHBondContact CA-O 3.48Å; Q130-N137 PolarHBondContact NE2-OD1 3.07Å
131	A	94.8	Very high	95	Very high	89 Å²	89	51.6 Å²	51.6	74%	0.736	30%	0.301	S	S	*	.	H	α-helix	trans	-65.4	-27.3	173.6	0	0	0	0	0	113.1	S128 L129 G133	S128-A131 PolarHBondContact O-N 3.07Å; S128-A131 PolarHBondContact OG-N 3.1Å; S128-A131 VanDerWaalsContact OG-N 3.16Å; L129-A131 VanDerWaalsContact C-N 3.31Å; L129-A131 PolarHBondContact O-N 3.5Å; A131-G133 PolarHBondContact O-N 3.43Å
132	M	92.8	Very high	95	Very high	48 Å²	48	46.1 Å²	46.1	24%	0.236	28%	0.276	C	S	.	.	H	α-helix	trans	-74.1	-15.2	171.5	174.4	-89.1	-75.1	0	0	112.9	L109 W120 I122 Y126 S128 L129 Q130 W134	L109-M132 HydrophobicContact CD1-CE 4.37Å; W120-M132 HydrophobicContact CG-SD 4.4Å; I122-M132 HydrophobicContact CG2-CE 4.46Å; Y126-M132 HydrophobicContact CD1-CB 3.66Å; Y126-M132 HydrophobicContact CD1-CG 3.86Å; Y126-M132 HydrophobicContact CE1-CB 3.79Å; Y126-M132 HydrophobicContact CE1-CG 3.5Å; S128-M132 PolarHBondContact O-N 2.99Å; L129-M132 HydrophobicContact CD2-CE 3.87Å; L129-M132 WeakPolarHBondContact O-CA 3.19Å; L129-M132 WeakPolarHBondContact O-CB 3.42Å; L129-M132 PolarHBondContact O-N 3.28Å; Q130-M132 PolarHBondContact O-N 3.37Å; M132-W134 HydrophobicContact CE-CB 4.03Å; M132-W134 HydrophobicContact CE-CE3 4.46Å
133	G	91.9	Very high	95.1	Very high	42 Å²	42	49 Å²	49	43%	0.433	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.9	11.7	-177	0	0	0	0	0	114	L129 Q130 A131 S135	L129-G133 PolarHBondContact O-N 3.07Å; Q130-G133 PolarHBondContact O-N 3.45Å; A131-G133 PolarHBondContact O-N 3.43Å; G133-S135 PolarHBondContact O-N 3.02Å
134	W	92.7	Very high	95.1	Very high	6 Å²	6	44.7 Å²	44.7	2%	0.023	27%	0.266	C	S	.	.			trans	-71	117.2	168.1	-170.2	-101.6	0	0	0	109.6	L109 W120 L129 Q130 M132 N136 E138 I139	L109-W134 HydrophobicContact CB-CH2 3.98Å; L109-W134 HydrophobicContact CB-CZ3 3.72Å; L109-W134 HydrophobicContact CD1-CE3 4.47Å; L109-W134 HydrophobicContact CD1-CZ3 4.4Å; W120-W134 AromaticContact CD2-CE3 3.89Å; W120-W134 HydrophobicContact CD2-CE3 3.89Å; W120-W134 AromaticContact CD2-CZ3 3.9Å; W120-W134 HydrophobicContact CD2-CZ3 3.9Å; W120-W134 AromaticContact CE3-CE3 3.54Å; W120-W134 HydrophobicContact CE3-CE3 3.54Å; W120-W134 HydrophobicContact CE3-CH2 4.17Å; W120-W134 AromaticContact CE3-CZ3 3.14Å; W120-W134 HydrophobicContact CE3-CZ3 3.14Å; W120-W134 HydrophobicContact CG-CE3 4.5Å; W120-W134 AromaticContact CH2-CE3 3.92Å; W120-W134 HydrophobicContact CH2-CE3 3.92Å; W120-W134 HydrophobicContact CH2-CZ3 4.1Å; W120-W134 HydrophobicContact CZ2-CE3 4.31Å; W120-W134 AromaticContact CZ3-CE3 3.55Å; W120-W134 HydrophobicContact CZ3-CE3 3.55Å; W120-W134 HydrophobicContact CZ3-CH2 4.01Å; W120-W134 AromaticContact CZ3-CZ3 3.26Å; W120-W134 HydrophobicContact CZ3-CZ3 3.26Å; L129-W134 HydrophobicContact CB-CB 3.85Å; L129-W134 HydrophobicContact CB-CG 4.23Å; L129-W134 WeakPolarHBondContact O-CB 3.45Å; L129-W134 PolarHBondContact O-N 3.36Å; Q130-W134 WeakPolarHBondContact CA-O 3.48Å; M132-W134 HydrophobicContact CE-CB 4.03Å; M132-W134 HydrophobicContact CE-CE3 4.46Å; W134-N136 PolarHBondContact O-N 3.16Å; W134-E138 WeakPolarHBondContact CZ2-O 3.19Å; W134-E138 PolarHBondContact NE1-O 3.36Å; W134-I139 HydrophobicContact CZ2-CB 4.49Å; W134-I139 HydrophobicContact CZ2-CG1 4.08Å
135	S	87.3	Confident	95.2	Very high	105 Å²	105	44.9 Å²	44.9	73%	0.734	26%	0.264	S	S	*	.			trans	-81.9	-9.1	-167.6	51.6	0	0	0	0	115.3	G133	G133-S135 PolarHBondContact O-N 3.02Å
136	N	87.4	Confident	95.1	Very high	67 Å²	67	44.5 Å²	44.5	36%	0.358	27%	0.265	S	S	.	.	S	Bend	trans	-115.4	170.6	-177.1	-162.9	-1.8	0	0	0	111	W134 E138	W134-N136 PolarHBondContact O-N 3.16Å; N136-E138 PolarHBondContact ND2-OE2 2.88Å
137	N	92.4	Very high	95.1	Very high	73 Å²	73	42.3 Å²	42.3	39%	0.39	26%	0.258	S	S	.	.	S	Bend	trans	-95.3	3.7	168.8	-63.2	-19.7	0	0	0	112.4	Q130 Q187 V188 Q189	Q130-N137 PolarHBondContact NE2-OD1 3.07Å; N137-Q187 CarbonylContact O-C 3.52Å; N137-Q187 WeakPolarHBondContact O-CA 3.34Å; N137-Q187 WeakPolarHBondContact O-CG 3.3Å; N137-V188 CarbonylContact C-O 3.53Å; N137-V188 CarbonylContact O-C 3.58Å; N137-V188 PolarHBondContact O-N 3.42Å; N137-V188 VanDerWaalsContact O-O 3.1Å; N137-Q189 HydrophobicContact CB-CG 4.02Å; N137-Q189 PolarHBondContact OD1-OE1 2.9Å
138	E	94.4	Very high	95.1	Very high	96 Å²	96	38.9 Å²	38.9	45%	0.449	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-124	151.1	-173.5	-57.6	172.7	158.5	0	0	110.6	W134 N136 F186	W134-E138 WeakPolarHBondContact CZ2-O 3.19Å; W134-E138 PolarHBondContact NE1-O 3.36Å; N136-E138 PolarHBondContact ND2-OE2 2.88Å; E138-F186 VanDerWaalsContact CA-O 3.23Å; E138-F186 WeakPolarHBondContact CA-O 3.17Å; E138-F186 HydrophobicContact CB-CB 4.22Å
139	I	96	Very high	95.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.225	C	C	.	.			trans	-119.5	124.5	171	-61.6	175.4	0	0	0	107.8	L109 L129 W134 S141 M142 W179 F186 V188 L191	L109-I139 HydrophobicContact CD1-CD1 4.14Å; L109-I139 HydrophobicContact CD2-CD1 4.07Å; L129-I139 HydrophobicContact CD1-CD1 3.73Å; L129-I139 HydrophobicContact CD1-CG1 4.31Å; W134-I139 HydrophobicContact CZ2-CB 4.49Å; W134-I139 HydrophobicContact CZ2-CG1 4.08Å; I139-S141 WeakPolarHBondContact CG2-O 3.45Å; I139-M142 HydrophobicContact CD1-SD 4.31Å; I139-M142 HydrophobicContact CG2-CG 3.62Å; I139-M142 HydrophobicContact CG2-SD 4.2Å; I139-W179 HydrophobicContact CB-CH2 4.37Å; I139-W179 HydrophobicContact CB-CZ2 4.44Å; I139-W179 WeakPolarHBondContact O-CH2 3.41Å; I139-W179 WeakPolarHBondContact O-CZ2 3.34Å; I139-F186 PolarHBondContact N-O 3.09Å; I139-V188 HydrophobicContact CD1-CB 3.65Å; I139-V188 HydrophobicContact CD1-CG1 3.56Å; I139-V188 HydrophobicContact CD1-CG2 4.38Å; I139-V188 HydrophobicContact CG1-CB 4.01Å; I139-V188 HydrophobicContact CG1-CG1 4.44Å; I139-L191 HydrophobicContact CD1-CD2 4.43Å
140	G	95.7	Very high	95.3	Very high	7 Å²	7	37.3 Å²	37.3	7%	0.072	23%	0.225	C	C	.	.			trans	-76.2	-43.6	-177.3	0	0	0	0	0	112.9	F110 R112 E113	F110-G140 PolarHBondContact O-N 3.5Å; R112-G140 CarbonylContact O-C 3.55Å; E113-G140 WeakPolarHBondContact CA-O 3.43Å
141	S	97.8	Very high	95.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	162.6	174.6	54.6	0	0	0	0	112.5	F110 R112 F115 I139 Y173 K174	F110-S141 WeakPolarHBondContact CB-OG 3.41Å; F110-S141 PolarHBondContact N-O 2.94Å; F110-S141 PolarHBondContact O-N 3.21Å; R112-S141 PolarHBondContact O-N 3.26Å; R112-S141 PolarHBondContact O-OG 2.79Å; F115-S141 WeakPolarHBondContact CA-OG 3.32Å; F115-S141 WeakPolarHBondContact CD1-OG 3.45Å; F115-S141 PolarHBondContact N-OG 2.71Å; I139-S141 WeakPolarHBondContact CG2-O 3.45Å; S141-Y173 CarbonylContact C-O 3.48Å; S141-Y173 VanDerWaalsContact CA-O 3.29Å; S141-Y173 WeakPolarHBondContact CA-O 3.41Å; S141-Y173 WeakPolarHBondContact CB-O 3.32Å; S141-K174 WeakPolarHBondContact CB-O 3.34Å
142	M	98.3	Very high	95.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.1	-176.9	-67.2	178.9	-77.8	0	0	111.4	M107 V108 L109 F115 I139 M164 Y173 W179	M107-M142 HydrophobicContact CE-SD 4.2Å; M107-M142 HydrophobicContact CG-CB 4.46Å; M107-M142 HydrophobicContact SD-CB 4.23Å; M107-M142 HydrophobicContact SD-CG 4.13Å; M107-M142 HydrophobicContact SD-SD 3.74Å; V108-M142 CarbonylContact O-C 3.6Å; V108-M142 WeakPolarHBondContact O-CA 3.37Å; L109-M142 HydrophobicContact CD2-CG 3.74Å; L109-M142 HydrophobicContact CD2-SD 3.97Å; F115-M142 WeakPolarHBondContact CE1-O 3.43Å; I139-M142 HydrophobicContact CD1-SD 4.31Å; I139-M142 HydrophobicContact CG2-CG 3.62Å; I139-M142 HydrophobicContact CG2-SD 4.2Å; M142-M164 HydrophobicContact CE-CE 3.46Å; M142-M164 VanDerWaalsContact CE-CE 3.46Å; M142-M164 HydrophobicContact CE-CG 3.96Å; M142-M164 HydrophobicContact CE-SD 3.75Å; M142-M164 HydrophobicContact SD-CG 4.28Å; M142-Y173 PolarHBondContact N-O 3.31Å; M142-Y173 PolarHBondContact O-N 2.89Å; M142-W179 HydrophobicContact CE-CD2 3.99Å; M142-W179 HydrophobicContact CE-CG 4.37Å; M142-W179 HydrophobicContact CE-CH2 4.35Å; M142-W179 HydrophobicContact CE-CZ2 3.53Å; M142-W179 VanDerWaalsContact CE-NE1 3.28Å
143	Q	98.4	Very high	95.5	Very high	62 Å²	62	29.8 Å²	29.8	29%	0.29	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	109.1	170.8	-169.1	178	21.1	0	0	109.9	M107 V108 F110 F115 Q145 G171	M107-Q143 CarbonylContact C-O 3.57Å; M107-Q143 VanDerWaalsContact CA-O 3.31Å; M107-Q143 WeakPolarHBondContact CA-O 3.46Å; V108-Q143 HydrophobicContact CB-CB 4.43Å; V108-Q143 PolarHBondContact N-O 2.9Å; V108-Q143 PolarHBondContact O-N 2.75Å; F110-Q143 HydrophobicContact CE2-CB 4Å; F115-Q143 HydrophobicContact CE1-CB 4.47Å; Q143-Q145 PolarHBondContact O-N 3.45Å; Q143-G171 CarbonylContact C-O 3.54Å; Q143-G171 VanDerWaalsContact CA-O 3.26Å; Q143-G171 WeakPolarHBondContact CA-O 3.44Å
144	V	98.4	Very high	95.6	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.024	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	101.3	175.8	-166.1	0	0	0	0	108.6	M107 G147 M164 C166 G171 Y173	M107-V144 HydrophobicContact CE-CG2 3.65Å; M107-V144 HydrophobicContact CG-CG2 4.43Å; V144-G147 WeakPolarHBondContact CG1-O 3.42Å; V144-M164 HydrophobicContact CG2-CB 3.58Å; V144-C166 HydrophobicContact CB-CB 4.27Å; V144-C166 HydrophobicContact CG1-CB 3.85Å; V144-C166 WeakPolarHBondContact O-CB 3.21Å; V144-G171 PolarHBondContact N-O 3.42Å; V144-Y173 HydrophobicContact CG2-CD2 4.09Å; V144-Y173 HydrophobicContact CG2-CE2 3.79Å
145	Q	98	Very high	95.7	Very high	86 Å²	86	32.4 Å²	32.4	40%	0.402	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-34.8	-178.8	-64.9	-176.8	-17.9	0	0	111.4	K106 V108 Q143	K106-Q145 HydrophobicContact CB-CB 4.31Å; K106-Q145 HydrophobicContact CG-CB 4.46Å; K106-Q145 PolarHBondContact O-N 2.87Å; V108-Q145 HydrophobicContact CG2-CG 4.4Å; Q143-Q145 PolarHBondContact O-N 3.45Å
146	S	97.6	Very high	96	Very high	37 Å²	37	29.3 Å²	29.3	26%	0.259	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	155.4	178.7	49	0	0	0	0	110.7	E104 S105 K106	E104-S146 WeakPolarHBondContact O-CB 3.41Å; E104-S146 PolarHBondContact O-OG 2.84Å; S105-S146 WeakPolarHBondContact CA-O 3.3Å; K106-S146 VanDerWaalsContact CB-OG 3.27Å; K106-S146 WeakPolarHBondContact CB-OG 3.18Å; K106-S146 PolarHBondContact N-O 3.39Å; K106-S146 PolarHBondContact N-OG 3.42Å; K106-S146 PolarHBondContact O-N 2.82Å
147	G	97.1	Very high	96.4	Very high	4 Å²	4	29.4 Å²	29.4	4%	0.041	16%	0.157	C	C	.	.	S	Bend	trans	80	-166.1	177.5	0	0	0	0	0	113.5	S99 S105 V144 C166	S99-G147 CarbonylContact O-C 3.56Å; S99-G147 WeakPolarHBondContact O-CA 3.43Å; S105-G147 WeakPolarHBondContact OG-CA 3.36Å; V144-G147 WeakPolarHBondContact CG1-O 3.42Å; G147-C166 PolarHBondContact O-N 3.38Å; G147-C166 VanDerWaalsContact O-N 3.12Å
148	A	98.1	Very high	96.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.1	171.3	0	0	0	0	0	109.9	I97 S99 A100 M164 E165 I194	I97-A148 HydrophobicContact CG2-CB 3.48Å; I97-A148 VanDerWaalsContact CG2-CB 3.48Å; S99-A148 PolarHBondContact O-N 2.93Å; A100-A148 HydrophobicContact CB-CB 4.44Å; A148-M164 CarbonylContact C-O 3.59Å; A148-M164 VanDerWaalsContact CA-O 3.31Å; A148-M164 WeakPolarHBondContact CA-O 3.49Å; A148-E165 HydrophobicContact CB-CG 3.92Å; A148-I194 HydrophobicContact CB-CB 4.26Å; A148-I194 HydrophobicContact CB-CD1 3.99Å; A148-I194 HydrophobicContact CB-CG1 4.42Å; A148-I194 PolarHBondContact O-N 3.39Å
149	W	98.5	Very high	96.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.9	-172.9	-64.5	77.3	0	0	0	109.8	M107 I122 D124 I163 M164 L191 R192 R193	M107-W149 HydrophobicContact CB-CD2 4.24Å; M107-W149 HydrophobicContact CB-CZ2 4.02Å; M107-W149 HydrophobicContact CE-CB 3.4Å; M107-W149 VanDerWaalsContact CE-CB 3.4Å; M107-W149 HydrophobicContact CE-CD2 4.04Å; M107-W149 HydrophobicContact CE-CG 3.41Å; M107-W149 VanDerWaalsContact CE-CG 3.41Å; M107-W149 HydrophobicContact SD-CG 4.49Å; I122-W149 HydrophobicContact CB-CH2 4.43Å; I122-W149 HydrophobicContact CD1-CE3 4.34Å; I122-W149 HydrophobicContact CD1-CH2 3.96Å; I122-W149 HydrophobicContact CD1-CZ3 3.84Å; I122-W149 HydrophobicContact CG1-CH2 4.1Å; I122-W149 HydrophobicContact CG1-CZ3 4.47Å; D124-W149 VanDerWaalsContact O-CZ3 3.26Å; D124-W149 WeakPolarHBondContact O-CZ3 3.37Å; W149-I163 WeakPolarHBondContact O-CA 3.42Å; W149-M164 HydrophobicContact CB-CB 4.39Å; W149-M164 PolarHBondContact N-O 3.32Å; W149-M164 PolarHBondContact O-N 3.36Å; W149-L191 HydrophobicContact CE3-CD1 3.69Å; W149-L191 HydrophobicContact CZ3-CD1 3.5Å; W149-R192 WeakPolarHBondContact CA-O 3.49Å; W149-R193 HydrophobicContact CD2-CG 4.12Å; W149-R193 HydrophobicContact CE3-CG 3.84Å; W149-R193 HydrophobicContact CH2-CG 3.48Å; W149-R193 VanDerWaalsContact CH2-CG 3.48Å; W149-R193 HydrophobicContact CZ2-CG 3.76Å; W149-R193 HydrophobicContact CZ3-CG 3.52Å
150	V	97.7	Very high	96.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	121.5	169.8	55.1	0	0	0	0	108.9	V68 Y152 Q161 Y162 L191 R192 I194	V68-V150 HydrophobicContact CB-CB 4.36Å; V68-V150 HydrophobicContact CB-CG1 4.49Å; V68-V150 HydrophobicContact CB-CG2 4.19Å; V68-V150 HydrophobicContact CG1-CB 4.46Å; V68-V150 HydrophobicContact CG1-CG1 4.2Å; V68-V150 HydrophobicContact CG1-CG2 4.14Å; V68-V150 HydrophobicContact CG2-CG1 4.45Å; V150-Y152 HydrophobicContact CB-CE2 4.28Å; V150-Y152 HydrophobicContact CG1-CE2 3.71Å; V150-Y152 HydrophobicContact CG2-CD2 4.47Å; V150-Y152 HydrophobicContact CG2-CE1 4.17Å; V150-Y152 HydrophobicContact CG2-CE2 3.85Å; V150-Q161 HydrophobicContact CG2-CB 4.01Å; V150-Y162 WeakPolarHBondContact CA-O 3.4Å; V150-L191 VanDerWaalsContact O-CA 3.25Å; V150-L191 WeakPolarHBondContact O-CA 3.42Å; V150-R192 HydrophobicContact CG1-CG 3.5Å; V150-R192 VanDerWaalsContact CG1-CG 3.5Å; V150-R192 PolarHBondContact N-O 3.47Å; V150-R192 PolarHBondContact O-N 2.73Å; V150-I194 HydrophobicContact CB-CD1 4.26Å; V150-I194 HydrophobicContact CB-CG1 4.22Å; V150-I194 HydrophobicContact CG1-CG1 4.08Å
151	C	97.3	Very high	96	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	142.4	177.7	-62.6	0	0	0	0	109.7	Q161 Y162 V188	C151-Q161 CarbonylContact O-C 3.58Å; C151-Q161 WeakPolarHBondContact O-CA 3.43Å; C151-Y162 PolarHBondContact N-O 2.79Å; C151-Y162 PolarHBondContact O-N 3.08Å; C151-V188 HydrophobicContact CB-CG1 3.77Å; C151-V188 HydrophobicContact CB-CG2 4.14Å
152	Y	95.3	Very high	95.9	Very high	10 Å²	10	29.5 Å²	29.5	4%	0.039	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.1	-177.7	-61	-92.7	0	0	0	112	V150 F154 Y157 Y160 Q161 V188 Q189 S190 R192	V150-Y152 HydrophobicContact CB-CE2 4.28Å; V150-Y152 HydrophobicContact CG1-CE2 3.71Å; V150-Y152 HydrophobicContact CG2-CD2 4.47Å; V150-Y152 HydrophobicContact CG2-CE1 4.17Å; V150-Y152 HydrophobicContact CG2-CE2 3.85Å; Y152-F154 VanDerWaalsContact C-N 3.29Å; Y152-F154 PolarHBondContact O-N 3.47Å; Y152-Y157 WeakPolarHBondContact CD1-O 3.36Å; Y152-Y157 AromaticContact CD2-CD1 3.72Å; Y152-Y157 HydrophobicContact CD2-CD1 3.72Å; Y152-Y157 HydrophobicContact CD2-CG 4.24Å; Y152-Y157 WeakPolarHBondContact CE1-O 3.33Å; Y152-Y157 AromaticContact CE2-CD1 3.72Å; Y152-Y157 HydrophobicContact CE2-CD1 3.72Å; Y152-Y157 AromaticContact CE2-CG 4Å; Y152-Y157 HydrophobicContact CE2-CG 4Å; Y152-Y157 VanDerWaalsContact CG-CA 3.49Å; Y152-Y160 VanDerWaalsContact CA-O 3.32Å; Y152-Y160 WeakPolarHBondContact CA-O 3.29Å; Y152-Q161 HydrophobicContact CD1-CB 4.46Å; Y152-Q161 HydrophobicContact CD1-CG 3.89Å; Y152-Q161 HydrophobicContact CE1-CB 4.33Å; Y152-Q161 HydrophobicContact CE1-CG 3.66Å; Y152-V188 WeakPolarHBondContact O-CA 3.26Å; Y152-Q189 PolarHBondContact O-N 2.91Å; Y152-S190 WeakPolarHBondContact CB-OG 3.22Å; Y152-S190 PolarHBondContact N-O 2.93Å; Y152-S190 PolarHBondContact O-N 3.38Å; Y152-R192 HydrophobicContact CE2-CG 4.11Å; Y152-R192 PolarHBondContact OH-NE 3.48Å
153	Q	94.4	Very high	95.9	Very high	26 Å²	26	29.7 Å²	29.7	12%	0.121	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	-38.2	179.8	-173.4	-178	17.5	0	0	113.6	R158 Y160 Q187 Q189	Q153-R158 PolarHBondContact N-O 2.98Å; Q153-Y160 PolarHBondContact N-O 2.88Å; Q153-Y160 VanDerWaalsContact N-O 3.08Å; Q153-Q187 HydrophobicContact CG-CB 4.26Å; Q153-Q187 HydrophobicContact CG-CG 4.02Å; Q153-Q189 WeakPolarHBondContact O-CG 3.23Å; Q153-Q189 PolarHBondContact O-NE2 3.05Å
154	F	94.2	Very high	95.9	Very high	64 Å²	64	26.8 Å²	26.8	28%	0.281	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	160.3	-175.5	-60.3	-61.3	0	0	0	112.3	A85 Y152 R158 S190	A85-F154 HydrophobicContact CB-CE2 4.22Å; Y152-F154 VanDerWaalsContact C-N 3.29Å; Y152-F154 PolarHBondContact O-N 3.47Å; F154-R158 HydrophobicContact CB-CB 4.12Å; F154-R158 PolarHBondContact N-O 2.89Å; F154-S190 PolarHBondContact O-OG 3.1Å
155	P	95.2	Very high	95.8	Very high	39 Å²	39	26.6 Å²	26.6	25%	0.253	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	151.2	170.7	-22.8	34.1	0	0	0	112.4	P127 R158 Q189	P127-P155 CarbonylContact O-C 3.51Å; P127-P155 WeakPolarHBondContact O-CA 3.38Å; P155-R158 PolarHBondContact O-NE 2.95Å; P155-R158 PolarHBondContact O-NH2 3.18Å; P155-Q189 HydrophobicContact CG-CB 3.97Å
156	G	94.8	Very high	95.8	Very high	40 Å²	40	24.3 Å²	24.3	41%	0.412	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	29.8	179.4	0	0	0	0	0	113.8	P127	P127-G156 PolarHBondContact O-N 3.18Å
157	Y	94.3	Very high	95.7	Very high	69 Å²	69	26.9 Å²	26.9	27%	0.271	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	46.1	175.7	-43.6	-49.6	0	0	0	114	P127 Y152 S190 R192	P127-Y157 HydrophobicContact CB-CE1 4.29Å; P127-Y157 HydrophobicContact CB-CE2 4.25Å; P127-Y157 WeakPolarHBondContact CD-OH 3.43Å; Y152-Y157 WeakPolarHBondContact CD1-O 3.36Å; Y152-Y157 AromaticContact CD2-CD1 3.72Å; Y152-Y157 HydrophobicContact CD2-CD1 3.72Å; Y152-Y157 HydrophobicContact CD2-CG 4.24Å; Y152-Y157 WeakPolarHBondContact CE1-O 3.33Å; Y152-Y157 AromaticContact CE2-CD1 3.72Å; Y152-Y157 HydrophobicContact CE2-CD1 3.72Å; Y152-Y157 AromaticContact CE2-CG 4Å; Y152-Y157 HydrophobicContact CE2-CG 4Å; Y152-Y157 VanDerWaalsContact CG-CA 3.49Å; Y157-S190 WeakPolarHBondContact CA-OG 3.35Å; Y157-S190 PolarHBondContact N-OG 2.86Å; Y157-R192 HydrophobicContact CD1-CB 4.49Å; Y157-R192 HydrophobicContact CD1-CG 4.49Å; Y157-R192 HydrophobicContact CE1-CB 3.93Å; Y157-R192 HydrophobicContact CE1-CG 4.39Å
158	R	92.2	Very high	95.5	Very high	130 Å²	130	30.8 Å²	30.8	49%	0.491	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	158	-174.7	-67.2	-179.2	-60.8	152.4	2.4	113	Q153 F154 P155	Q153-R158 PolarHBondContact N-O 2.98Å; F154-R158 HydrophobicContact CB-CB 4.12Å; F154-R158 PolarHBondContact N-O 2.89Å; P155-R158 PolarHBondContact O-NE 2.95Å; P155-R158 PolarHBondContact O-NH2 3.18Å
159	G	91.7	Very high	95.2	Very high	4 Å²	4	36.4 Å²	36.4	4%	0.041	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.4	-153.7	178	0	0	0	0	0	111.4	S83 Q161	S83-G159 VanDerWaalsContact CB-N 3.28Å; G159-Q161 PolarHBondContact O-N 2.88Å
160	Y	92.6	Very high	94.9	Very high	39 Å²	39	39.5 Å²	39.5	15%	0.153	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	137.5	176.1	-64.5	-60.3	0	0	0	111.7	Q65 Y86 Y152 Q153 Y162	Q65-Y160 HydrophobicContact CG-CD1 4.42Å; Y86-Y160 HydrophobicContact CD1-CD1 4.39Å; Y86-Y160 AromaticContact CD1-CE1 3.97Å; Y86-Y160 HydrophobicContact CD1-CE1 3.97Å; Y86-Y160 HydrophobicContact CD2-CD1 4.19Å; Y86-Y160 AromaticContact CD2-CE1 3.15Å; Y86-Y160 HydrophobicContact CD2-CE1 3.15Å; Y86-Y160 AromaticContact CD2-CZ 3.54Å; Y86-Y160 VanDerWaalsContact CD2-OH 3.25Å; Y86-Y160 WeakPolarHBondContact CD2-OH 3.27Å; Y86-Y160 HydrophobicContact CE1-CE1 4.09Å; Y86-Y160 HydrophobicContact CE2-CD1 4.5Å; Y86-Y160 AromaticContact CE2-CE1 3.32Å; Y86-Y160 HydrophobicContact CE2-CE1 3.32Å; Y86-Y160 AromaticContact CE2-CZ 3.72Å; Y86-Y160 VanDerWaalsContact CE2-OH 3.24Å; Y86-Y160 WeakPolarHBondContact CE2-OH 3.25Å; Y86-Y160 HydrophobicContact CG-CD1 4.08Å; Y86-Y160 AromaticContact CG-CE1 3.46Å; Y86-Y160 HydrophobicContact CG-CE1 3.46Å; Y86-Y160 VanDerWaalsContact CG-CE1 3.46Å; Y86-Y160 AromaticContact CZ-CE1 3.76Å; Y152-Y160 VanDerWaalsContact CA-O 3.32Å; Y152-Y160 WeakPolarHBondContact CA-O 3.29Å; Q153-Y160 PolarHBondContact N-O 2.88Å; Q153-Y160 VanDerWaalsContact N-O 3.08Å; Y160-Y162 VanDerWaalsContact CB-OH 3.27Å; Y160-Y162 WeakPolarHBondContact CB-OH 3.33Å
161	Q	94.3	Very high	94.9	Very high	5 Å²	5	39.5 Å²	39.5	2%	0.023	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	139.5	174.9	-42.2	-177.8	20.5	0	0	109.8	Q65 W80 S81 V150 C151 Y152 G159	Q65-Q161 PolarHBondContact NE2-O 3.34Å; W80-Q161 PolarHBondContact O-NE2 2.83Å; S81-Q161 PolarHBondContact O-NE2 3.43Å; S81-Q161 VanDerWaalsContact O-NE2 3.12Å; V150-Q161 HydrophobicContact CG2-CB 4.01Å; C151-Q161 CarbonylContact O-C 3.58Å; C151-Q161 WeakPolarHBondContact O-CA 3.43Å; Y152-Q161 HydrophobicContact CD1-CB 4.46Å; Y152-Q161 HydrophobicContact CD1-CG 3.89Å; Y152-Q161 HydrophobicContact CE1-CB 4.33Å; Y152-Q161 HydrophobicContact CE1-CG 3.66Å; G159-Q161 PolarHBondContact O-N 2.88Å
162	Y	96.1	Very high	95	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.9	174.5	-47.8	-71.2	0	0	0	109.7	V150 C151 Y160 M164 W179 A183 V188	V150-Y162 WeakPolarHBondContact CA-O 3.4Å; C151-Y162 PolarHBondContact N-O 2.79Å; C151-Y162 PolarHBondContact O-N 3.08Å; Y160-Y162 VanDerWaalsContact CB-OH 3.27Å; Y160-Y162 WeakPolarHBondContact CB-OH 3.33Å; Y162-M164 VanDerWaalsContact CB-CE 3.42Å; Y162-M164 HydrophobicContact CG-CE 4.47Å; Y162-W179 HydrophobicContact CD1-CB 4.31Å; Y162-W179 AromaticContact CD2-CE3 3.94Å; Y162-W179 HydrophobicContact CD2-CE3 3.94Å; Y162-W179 HydrophobicContact CD2-CZ3 4.41Å; Y162-W179 HydrophobicContact CE2-CE3 4.2Å; Y162-W179 HydrophobicContact CE2-CZ3 4.44Å; Y162-W179 HydrophobicContact CG-CB 4.34Å; Y162-W179 HydrophobicContact CG-CE3 4.18Å; Y162-A183 HydrophobicContact CD1-CB 4.36Å; Y162-A183 HydrophobicContact CE1-CB 4Å; Y162-V188 HydrophobicContact CD2-CG2 4.47Å
163	I	97.4	Very high	95.1	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.4	-175.6	-62.9	169.1	0	0	0	109.1	A55 Q66 V68 I97 W149 E165 I194	A55-I163 HydrophobicContact CB-CD1 3.51Å; Q66-I163 HydrophobicContact CB-CD1 4.34Å; V68-I163 HydrophobicContact CB-CD1 4.45Å; I97-I163 HydrophobicContact CD1-CD1 4.11Å; I97-I163 HydrophobicContact CD1-CG2 4.11Å; W149-I163 WeakPolarHBondContact O-CA 3.42Å; I163-E165 HydrophobicContact CG2-CG 3.99Å; I163-I194 HydrophobicContact CG2-CD1 3.91Å
164	M	98	Very high	95.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.7	179	-49.3	-61.8	159.5	0	0	109	M107 M142 V144 A148 W149 Y162 Y173 W179	M107-M164 HydrophobicContact CE-CB 3.57Å; M107-M164 HydrophobicContact CE-CG 3.89Å; M142-M164 HydrophobicContact CE-CE 3.46Å; M142-M164 VanDerWaalsContact CE-CE 3.46Å; M142-M164 HydrophobicContact CE-CG 3.96Å; M142-M164 HydrophobicContact CE-SD 3.75Å; M142-M164 HydrophobicContact SD-CG 4.28Å; V144-M164 HydrophobicContact CG2-CB 3.58Å; A148-M164 CarbonylContact C-O 3.59Å; A148-M164 VanDerWaalsContact CA-O 3.31Å; A148-M164 WeakPolarHBondContact CA-O 3.49Å; W149-M164 HydrophobicContact CB-CB 4.39Å; W149-M164 PolarHBondContact N-O 3.32Å; W149-M164 PolarHBondContact O-N 3.36Å; Y162-M164 VanDerWaalsContact CB-CE 3.42Å; Y162-M164 HydrophobicContact CG-CE 4.47Å; M164-Y173 HydrophobicContact CB-CD2 4.44Å; M164-Y173 HydrophobicContact CB-CE2 3.98Å; M164-Y173 HydrophobicContact SD-CD1 3.64Å; M164-Y173 HydrophobicContact SD-CD2 4.07Å; M164-Y173 HydrophobicContact SD-CE1 3.65Å; M164-Y173 HydrophobicContact SD-CE2 4.12Å; M164-Y173 HydrophobicContact SD-CG 3.83Å; M164-W179 HydrophobicContact CE-CB 3.48Å; M164-W179 VanDerWaalsContact CE-CB 3.48Å; M164-W179 HydrophobicContact CE-CD2 3.76Å; M164-W179 HydrophobicContact CE-CE3 4.42Å; M164-W179 HydrophobicContact CE-CG 3.3Å; M164-W179 HydrophobicContact SD-CB 4.48Å; M164-W179 HydrophobicContact SD-CG 4.24Å
165	E	97.8	Very high	95.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.4	-171.7	-76.5	171	-72	0	0	110.2	R95 I97 S99 A148 I163 D167 R168 Y173	R95-E165 IonicContact CZ-OE1 3.5Å; R95-E165 VanDerWaalsContact CZ-OE1 3.24Å; R95-E165 IonicContact CZ-OE2 3.51Å; R95-E165 VanDerWaalsContact NH1-CD 3.33Å; R95-E165 IonicContact NH1-OE1 3.69Å; R95-E165 PolarHBondContact NH1-OE1 3.17Å; R95-E165 IonicContact NH1-OE2 3.72Å; R95-E165 PolarHBondContact NH1-OE2 2.83Å; R95-E165 IonicContact NH2-OE1 3.81Å; R95-E165 PolarHBondContact NH2-OE1 3.09Å; R95-E165 IonicContact NH2-OE2 3.93Å; I97-E165 HydrophobicContact CG2-CG 4Å; I97-E165 WeakPolarHBondContact CG2-OE2 3.26Å; S99-E165 WeakPolarHBondContact OG-CB 3.25Å; S99-E165 WeakPolarHBondContact OG-CG 3.24Å; A148-E165 HydrophobicContact CB-CG 3.92Å; I163-E165 HydrophobicContact CG2-CG 3.99Å; E165-D167 WeakPolarHBondContact CB-OD1 3.42Å; E165-D167 PolarHBondContact O-N 3.29Å; E165-R168 HydrophobicContact CB-CB 4.13Å; E165-R168 HydrophobicContact CB-CG 4.26Å; E165-R168 PolarHBondContact O-N 3.19Å; E165-R168 WeakPolarHBondContact OE1-CD 3.39Å; E165-R168 IonicContact OE1-NE 2.91Å; E165-Y173 PolarHBondContact N-OH 2.88Å; E165-Y173 PolarHBondContact O-OH 2.76Å
166	C	97.8	Very high	95.3	Very high	38 Å²	38	43.2 Å²	43.2	26%	0.257	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-22.6	179.1	68.1	0	0	0	0	113.5	S99 V144 G147 G170 G171	S99-C166 WeakPolarHBondContact CB-SG 3.13Å; V144-C166 HydrophobicContact CB-CB 4.27Å; V144-C166 HydrophobicContact CG1-CB 3.85Å; V144-C166 WeakPolarHBondContact O-CB 3.21Å; G147-C166 PolarHBondContact O-N 3.38Å; G147-C166 VanDerWaalsContact O-N 3.12Å; C166-G170 CarbonylContact O-C 3.6Å; C166-G171 PolarHBondContact O-N 3.19Å
167	D	95.5	Very high	95.2	Very high	90 Å²	90	49.8 Å²	49.8	48%	0.481	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-10	-179.7	61.8	-18.9	0	0	0	113.7	S99 E165	S99-D167 VanDerWaalsContact CB-OD1 3.27Å; S99-D167 WeakPolarHBondContact CB-OD1 3.43Å; S99-D167 PolarHBondContact OG-OD1 3.47Å; E165-D167 WeakPolarHBondContact CB-OD1 3.42Å; E165-D167 PolarHBondContact O-N 3.29Å
168	R	93.3	Very high	95.2	Very high	86 Å²	86	49.8 Å²	49.8	33%	0.325	24%	0.237	S	C	.	.	S	Bend	trans	-95.5	138.5	171	-75.6	-159.3	167.4	-159.3	-10.9	111.3	R95 E165 G170 G171	R95-R168 VanDerWaalsContact CD-NH2 3.29Å; R95-R168 VanDerWaalsContact NE-CZ 3.3Å; R95-R168 VanDerWaalsContact NH2-CZ 3.27Å; E165-R168 HydrophobicContact CB-CB 4.13Å; E165-R168 HydrophobicContact CB-CG 4.26Å; E165-R168 PolarHBondContact O-N 3.19Å; E165-R168 WeakPolarHBondContact OE1-CD 3.39Å; E165-R168 IonicContact OE1-NE 2.91Å; R168-G170 PolarHBondContact O-N 2.88Å; R168-G171 PolarHBondContact O-N 3.36Å
169	H	89.8	Confident	95.3	Very high	118 Å²	118	43.8 Å²	43.8	55%	0.546	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	53.6	22.1	-177.6	-54	-75.1	0	0	0	113.7	G171 E172 Y173	H169-G171 PolarHBondContact O-N 2.77Å; H169-E172 WeakPolarHBondContact CB-O 3.47Å; H169-E172 PolarHBondContact O-N 3.46Å; H169-Y173 AromaticContact CD2-CE1 3.84Å
170	G	93.8	Very high	95.3	Very high	66 Å²	66	44.5 Å²	44.5	68%	0.68	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	64.5	23.7	-171.8	0	0	0	0	0	114	C166 R168 E172	C166-G170 CarbonylContact O-C 3.6Å; R168-G170 PolarHBondContact O-N 2.88Å; G170-E172 PolarHBondContact O-N 2.8Å
171	G	97.6	Very high	95.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	74.9	5	-173.9	0	0	0	0	0	113.8	Q143 V144 C166 R168 H169	Q143-G171 CarbonylContact C-O 3.54Å; Q143-G171 VanDerWaalsContact CA-O 3.26Å; Q143-G171 WeakPolarHBondContact CA-O 3.44Å; V144-G171 PolarHBondContact N-O 3.42Å; C166-G171 PolarHBondContact O-N 3.19Å; R168-G171 PolarHBondContact O-N 3.36Å; H169-G171 PolarHBondContact O-N 2.77Å
172	E	98.2	Very high	94.9	Very high	68 Å²	68	48.1 Å²	48.1	32%	0.318	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	116.9	-176.4	-71.9	-170.6	-177.4	0	0	111.4	F115 H169 G170 K174	F115-E172 HydrophobicContact CE2-CB 4.21Å; F115-E172 HydrophobicContact CE2-CG 3.95Å; F115-E172 HydrophobicContact CZ-CB 3.71Å; F115-E172 HydrophobicContact CZ-CG 3.83Å; H169-E172 WeakPolarHBondContact CB-O 3.47Å; H169-E172 PolarHBondContact O-N 3.46Å; G170-E172 PolarHBondContact O-N 2.8Å; E172-K174 WeakPolarHBondContact OE2-CE 3.2Å; E172-K174 IonicContact OE2-NZ 3.68Å; E172-K174 PolarHBondContact OE2-NZ 2.95Å
173	Y	98	Very high	94.6	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	88.7	175.9	-63.4	-92	0	0	0	109.4	S141 M142 V144 M164 E165 H169 E178	S141-Y173 CarbonylContact C-O 3.48Å; S141-Y173 VanDerWaalsContact CA-O 3.29Å; S141-Y173 WeakPolarHBondContact CA-O 3.41Å; S141-Y173 WeakPolarHBondContact CB-O 3.32Å; M142-Y173 PolarHBondContact N-O 3.31Å; M142-Y173 PolarHBondContact O-N 2.89Å; V144-Y173 HydrophobicContact CG2-CD2 4.09Å; V144-Y173 HydrophobicContact CG2-CE2 3.79Å; M164-Y173 HydrophobicContact CB-CD2 4.44Å; M164-Y173 HydrophobicContact CB-CE2 3.98Å; M164-Y173 HydrophobicContact SD-CD1 3.64Å; M164-Y173 HydrophobicContact SD-CD2 4.07Å; M164-Y173 HydrophobicContact SD-CE1 3.65Å; M164-Y173 HydrophobicContact SD-CE2 4.12Å; M164-Y173 HydrophobicContact SD-CG 3.83Å; E165-Y173 PolarHBondContact N-OH 2.88Å; E165-Y173 PolarHBondContact O-OH 2.76Å; H169-Y173 AromaticContact CD2-CE1 3.84Å; Y173-E178 WeakPolarHBondContact CA-OE2 3.36Å; Y173-E178 HydrophobicContact CD1-CB 4.31Å
174	K	97.4	Very high	93.9	Very high	70 Å²	70	54.4 Å²	54.4	30%	0.304	28%	0.281	S	S	.	.			trans	-80.1	-18.4	-169.5	-71.1	172.7	-178.8	156.9	0	113.8	E113 N114 F115 S141 E172 E178	E113-K174 WeakPolarHBondContact CA-O 3.34Å; E113-K174 WeakPolarHBondContact CB-O 3.37Å; N114-K174 PolarHBondContact N-O 2.85Å; F115-K174 HydrophobicContact CD2-CG 4.39Å; F115-K174 HydrophobicContact CE1-CG 3.99Å; F115-K174 HydrophobicContact CE2-CD 4.15Å; F115-K174 HydrophobicContact CE2-CG 3.65Å; F115-K174 HydrophobicContact CZ-CD 4.31Å; F115-K174 HydrophobicContact CZ-CG 3.4Å; S141-K174 WeakPolarHBondContact CB-O 3.34Å; E172-K174 WeakPolarHBondContact OE2-CE 3.2Å; E172-K174 IonicContact OE2-NZ 3.68Å; E172-K174 PolarHBondContact OE2-NZ 2.95Å; K174-E178 PolarHBondContact N-OE2 3.4Å
175	H	95.9	Very high	93.4	Very high	42 Å²	42	56 Å²	56	19%	0.194	29%	0.293	C	S	.	.	S	Bend	trans	-156.3	147.6	-174	-176.3	-85.9	0	0	0	110.5	E113 R177 E178 F186	E113-H175 IonicContact OE1-CD2 3.59Å; E113-H175 PolarHBondContact OE1-CD2 3.35Å; E113-H175 IonicContact OE1-NE2 3.55Å; E113-H175 IonicContact OE2-CD2 3.31Å; E113-H175 PolarHBondContact OE2-CD2 2.9Å; H175-R177 PolarHBondContact ND1-N 3.06Å; H175-R177 PolarHBondContact O-N 3.26Å; H175-E178 VanDerWaalsContact O-CB 3.31Å; H175-E178 WeakPolarHBondContact O-CB 3.45Å; H175-E178 PolarHBondContact O-N 3.13Å; H175-F186 AromaticContact CD2-CZ 3.98Å; H175-F186 AromaticContact CE1-CZ 3.99Å; H175-F186 AromaticContact NE2-CZ 3.65Å
176	Y	94	Very high	93.1	Very high	33 Å²	33	58 Å²	58	13%	0.129	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-56.1	-29.7	-175.3	77	-64.1	0	0	0	115.4	E178 W179 A183 Q184 F186	Y176-E178 PolarHBondContact O-N 3.04Å; Y176-E178 VanDerWaalsContact O-N 3.1Å; Y176-W179 WeakPolarHBondContact O-CB 3.38Å; Y176-W179 VanDerWaalsContact O-CG 3.25Å; Y176-W179 PolarHBondContact O-N 3.21Å; Y176-A183 HydrophobicContact CD2-CB 4.16Å; Y176-A183 WeakPolarHBondContact CD2-O 3.29Å; Y176-A183 WeakPolarHBondContact CE2-O 3.31Å; Y176-A183 WeakPolarHBondContact O-CB 3.49Å; Y176-Q184 WeakPolarHBondContact CE2-O 3.11Å; Y176-F186 VanDerWaalsContact CB-CD1 3.46Å; Y176-F186 AromaticContact CD1-CD1 3.59Å; Y176-F186 HydrophobicContact CD1-CD1 3.59Å; Y176-F186 AromaticContact CD1-CD2 3.62Å; Y176-F186 HydrophobicContact CD1-CD2 3.62Å; Y176-F186 AromaticContact CD1-CE1 3.12Å; Y176-F186 HydrophobicContact CD1-CE1 3.12Å; Y176-F186 AromaticContact CD1-CE2 3.14Å; Y176-F186 HydrophobicContact CD1-CE2 3.14Å; Y176-F186 AromaticContact CD1-CG 3.83Å; Y176-F186 HydrophobicContact CD1-CG 3.83Å; Y176-F186 AromaticContact CD1-CZ 2.89Å; Y176-F186 HydrophobicContact CD1-CZ 2.89Å; Y176-F186 HydrophobicContact CD2-CD2 4.5Å; Y176-F186 AromaticContact CE1-CD2 3.88Å; Y176-F186 HydrophobicContact CE1-CD2 3.88Å; Y176-F186 AromaticContact CE1-CE1 3.9Å; Y176-F186 HydrophobicContact CE1-CE1 3.9Å; Y176-F186 AromaticContact CE1-CE2 3.1Å; Y176-F186 HydrophobicContact CE1-CE2 3.1Å; Y176-F186 AromaticContact CE1-CZ 3.14Å; Y176-F186 HydrophobicContact CE1-CZ 3.14Å; Y176-F186 AromaticContact CG-CD1 3.79Å; Y176-F186 HydrophobicContact CG-CD1 3.79Å; Y176-F186 AromaticContact CG-CD2 3.88Å; Y176-F186 HydrophobicContact CG-CD2 3.88Å; Y176-F186 AromaticContact CG-CE1 3.82Å; Y176-F186 HydrophobicContact CG-CE1 3.82Å; Y176-F186 AromaticContact CG-CE2 3.89Å; Y176-F186 HydrophobicContact CG-CE2 3.89Å; Y176-F186 AromaticContact CG-CG 3.84Å; Y176-F186 HydrophobicContact CG-CG 3.84Å; Y176-F186 AromaticContact CG-CZ 3.89Å; Y176-F186 HydrophobicContact CG-CZ 3.89Å; Y176-F186 AromaticContact CZ-CE2 3.94Å
177	R	94	Very high	93	Very high	177 Å²	177	58.4 Å²	58.4	67%	0.668	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-60.7	-18.1	175.6	-68.9	176.9	-173.5	-177.8	0.7	113.5	H175	H175-R177 PolarHBondContact ND1-N 3.06Å; H175-R177 PolarHBondContact O-N 3.26Å
178	E	94.4	Very high	93	Very high	69 Å²	69	54.1 Å²	54.1	32%	0.322	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-85	-12.1	175.7	-60.1	171.2	-158	0	0	112.2	Y173 K174 H175 Y176 G180	Y173-E178 WeakPolarHBondContact CA-OE2 3.36Å; Y173-E178 HydrophobicContact CD1-CB 4.31Å; K174-E178 PolarHBondContact N-OE2 3.4Å; H175-E178 VanDerWaalsContact O-CB 3.31Å; H175-E178 WeakPolarHBondContact O-CB 3.45Å; H175-E178 PolarHBondContact O-N 3.13Å; Y176-E178 PolarHBondContact O-N 3.04Å; Y176-E178 VanDerWaalsContact O-N 3.1Å; E178-G180 VanDerWaalsContact C-N 3.26Å; E178-G180 PolarHBondContact O-N 3.29Å
179	W	93.9	Very high	93.2	Very high	4 Å²	4	51 Å²	51	2%	0.015	27%	0.265	C	S	.	.	S	Bend	trans	-71.9	-20.6	-179.2	-61.1	-4.6	0	0	0	113	Q66 I139 M142 Y162 M164 Y176 A183 F186 V188	Q66-W179 PolarHBondContact NE2-O 3.02Å; I139-W179 HydrophobicContact CB-CH2 4.37Å; I139-W179 HydrophobicContact CB-CZ2 4.44Å; I139-W179 WeakPolarHBondContact O-CH2 3.41Å; I139-W179 WeakPolarHBondContact O-CZ2 3.34Å; M142-W179 HydrophobicContact CE-CD2 3.99Å; M142-W179 HydrophobicContact CE-CG 4.37Å; M142-W179 HydrophobicContact CE-CH2 4.35Å; M142-W179 HydrophobicContact CE-CZ2 3.53Å; M142-W179 VanDerWaalsContact CE-NE1 3.28Å; Y162-W179 HydrophobicContact CD1-CB 4.31Å; Y162-W179 AromaticContact CD2-CE3 3.94Å; Y162-W179 HydrophobicContact CD2-CE3 3.94Å; Y162-W179 HydrophobicContact CD2-CZ3 4.41Å; Y162-W179 HydrophobicContact CE2-CE3 4.2Å; Y162-W179 HydrophobicContact CE2-CZ3 4.44Å; Y162-W179 HydrophobicContact CG-CB 4.34Å; Y162-W179 HydrophobicContact CG-CE3 4.18Å; M164-W179 HydrophobicContact CE-CB 3.48Å; M164-W179 VanDerWaalsContact CE-CB 3.48Å; M164-W179 HydrophobicContact CE-CD2 3.76Å; M164-W179 HydrophobicContact CE-CE3 4.42Å; M164-W179 HydrophobicContact CE-CG 3.3Å; M164-W179 HydrophobicContact SD-CB 4.48Å; M164-W179 HydrophobicContact SD-CG 4.24Å; Y176-W179 WeakPolarHBondContact O-CB 3.38Å; Y176-W179 VanDerWaalsContact O-CG 3.25Å; Y176-W179 PolarHBondContact O-N 3.21Å; W179-A183 HydrophobicContact CB-CB 4.03Å; W179-F186 HydrophobicContact CH2-CB 4.25Å; W179-F186 WeakPolarHBondContact CH2-O 3.35Å; W179-V188 HydrophobicContact CE3-CG2 4.32Å; W179-V188 HydrophobicContact CH2-CG2 3.63Å; W179-V188 HydrophobicContact CZ3-CG2 3.44Å; W179-V188 VanDerWaalsContact CZ3-CG2 3.44Å
180	G	92	Very high	93.5	Very high	20 Å²	20	45.3 Å²	45.3	21%	0.206	24%	0.239	C	C	.	.			trans	155.5	162.9	178.6	0	0	0	0	0	111.9	E178 H182 A183	E178-G180 VanDerWaalsContact C-N 3.26Å; E178-G180 PolarHBondContact O-N 3.29Å; G180-H182 PolarHBondContact O-N 3Å; G180-H182 VanDerWaalsContact O-N 3.12Å; G180-A183 VanDerWaalsContact O-CB 3.32Å; G180-A183 WeakPolarHBondContact O-CB 3.18Å; G180-A183 PolarHBondContact O-N 2.9Å
181	S	90.9	Very high	93.7	Very high	82 Å²	82	42.2 Å²	42.2	57%	0.573	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.5	-174	65.2	0	0	0	0	114.5	C63 G64	C63-S181 WeakPolarHBondContact CA-OG 3.42Å; G64-S181 PolarHBondContact N-OG 3.46Å
182	H	87.6	Confident	93.8	Very high	37 Å²	37	43.6 Å²	43.6	17%	0.171	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	10.3	177.3	-159.1	82.2	0	0	0	113	G64 Y86 G180 Q184	G64-H182 VanDerWaalsContact C-CB 3.42Å; G64-H182 WeakPolarHBondContact O-CB 3.49Å; Y86-H182 AromaticContact CE2-NE2 3.9Å; Y86-H182 AromaticContact CZ-NE2 3.64Å; Y86-H182 PolarHBondContact OH-CE1 3.14Å; Y86-H182 PolarHBondContact OH-NE2 3.22Å; G180-H182 PolarHBondContact O-N 3Å; G180-H182 VanDerWaalsContact O-N 3.12Å; H182-Q184 PolarHBondContact CE1-NE2 3.32Å; H182-Q184 VanDerWaalsContact CE1-NE2 3.29Å; H182-Q184 PolarHBondContact NE2-NE2 2.89Å; H182-Q184 PolarHBondContact O-N 3.34Å
183	A	88.8	Confident	93.8	Very high	13 Å²	13	41.9 Å²	41.9	11%	0.107	20%	0.203	C	C	.	.			trans	-68.8	105.8	175.5	0	0	0	0	0	110	Y162 Y176 W179 G180	Y162-A183 HydrophobicContact CD1-CB 4.36Å; Y162-A183 HydrophobicContact CE1-CB 4Å; Y176-A183 HydrophobicContact CD2-CB 4.16Å; Y176-A183 WeakPolarHBondContact CD2-O 3.29Å; Y176-A183 WeakPolarHBondContact CE2-O 3.31Å; Y176-A183 WeakPolarHBondContact O-CB 3.49Å; W179-A183 HydrophobicContact CB-CB 4.03Å; G180-A183 VanDerWaalsContact O-CB 3.32Å; G180-A183 WeakPolarHBondContact O-CB 3.18Å; G180-A183 PolarHBondContact O-N 2.9Å
184	Q	84.3	Confident	93.8	Very high	124 Å²	124	41.7 Å²	41.7	58%	0.579	20%	0.202	S	C	*	.			trans	-100.1	-17.5	-177.5	-66.3	-179.4	14.3	0	0	113.5	Y176 H182	Y176-Q184 WeakPolarHBondContact CE2-O 3.11Å; H182-Q184 PolarHBondContact CE1-NE2 3.32Å; H182-Q184 VanDerWaalsContact CE1-NE2 3.29Å; H182-Q184 PolarHBondContact NE2-NE2 2.89Å; H182-Q184 PolarHBondContact O-N 3.34Å
185	S	87.4	Confident	93.6	Very high	35 Å²	35	43.1 Å²	43.1	25%	0.245	21%	0.21	C	C	.	.			trans	-145.2	162.5	179.5	79.1	0	0	0	0	111.5	Q187	S185-Q187 PolarHBondContact O-N 2.7Å; S185-Q187 WeakPolarHBondContact OG-CB 3.43Å; S185-Q187 PolarHBondContact OG-N 2.88Å
186	F	90.1	Very high	92.9	Very high	43 Å²	43	44.7 Å²	44.7	19%	0.189	22%	0.217	C	C	.	.			trans	-85.5	8	172.9	-56.6	-104.5	0	0	0	112.8	E113 E138 I139 H175 Y176 W179 V188	E113-F186 HydrophobicContact CG-CE1 3.96Å; E113-F186 WeakPolarHBondContact OE1-CE1 3.32Å; E113-F186 WeakPolarHBondContact OE1-CZ 3.15Å; E138-F186 VanDerWaalsContact CA-O 3.23Å; E138-F186 WeakPolarHBondContact CA-O 3.17Å; E138-F186 HydrophobicContact CB-CB 4.22Å; I139-F186 PolarHBondContact N-O 3.09Å; H175-F186 AromaticContact CD2-CZ 3.98Å; H175-F186 AromaticContact CE1-CZ 3.99Å; H175-F186 AromaticContact NE2-CZ 3.65Å; Y176-F186 VanDerWaalsContact CB-CD1 3.46Å; Y176-F186 AromaticContact CD1-CD1 3.59Å; Y176-F186 HydrophobicContact CD1-CD1 3.59Å; Y176-F186 AromaticContact CD1-CD2 3.62Å; Y176-F186 HydrophobicContact CD1-CD2 3.62Å; Y176-F186 AromaticContact CD1-CE1 3.12Å; Y176-F186 HydrophobicContact CD1-CE1 3.12Å; Y176-F186 AromaticContact CD1-CE2 3.14Å; Y176-F186 HydrophobicContact CD1-CE2 3.14Å; Y176-F186 AromaticContact CD1-CG 3.83Å; Y176-F186 HydrophobicContact CD1-CG 3.83Å; Y176-F186 AromaticContact CD1-CZ 2.89Å; Y176-F186 HydrophobicContact CD1-CZ 2.89Å; Y176-F186 HydrophobicContact CD2-CD2 4.5Å; Y176-F186 AromaticContact CE1-CD2 3.88Å; Y176-F186 HydrophobicContact CE1-CD2 3.88Å; Y176-F186 AromaticContact CE1-CE1 3.9Å; Y176-F186 HydrophobicContact CE1-CE1 3.9Å; Y176-F186 AromaticContact CE1-CE2 3.1Å; Y176-F186 HydrophobicContact CE1-CE2 3.1Å; Y176-F186 AromaticContact CE1-CZ 3.14Å; Y176-F186 HydrophobicContact CE1-CZ 3.14Å; Y176-F186 AromaticContact CG-CD1 3.79Å; Y176-F186 HydrophobicContact CG-CD1 3.79Å; Y176-F186 AromaticContact CG-CD2 3.88Å; Y176-F186 HydrophobicContact CG-CD2 3.88Å; Y176-F186 AromaticContact CG-CE1 3.82Å; Y176-F186 HydrophobicContact CG-CE1 3.82Å; Y176-F186 AromaticContact CG-CE2 3.89Å; Y176-F186 HydrophobicContact CG-CE2 3.89Å; Y176-F186 AromaticContact CG-CG 3.84Å; Y176-F186 HydrophobicContact CG-CG 3.84Å; Y176-F186 AromaticContact CG-CZ 3.89Å; Y176-F186 HydrophobicContact CG-CZ 3.89Å; Y176-F186 AromaticContact CZ-CE2 3.94Å; W179-F186 HydrophobicContact CH2-CB 4.25Å; W179-F186 WeakPolarHBondContact CH2-O 3.35Å; F186-V188 PolarHBondContact O-N 3.34Å
187	Q	95.2	Very high	92.8	Very high	46 Å²	46	45.3 Å²	45.3	22%	0.215	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-72.7	116.2	-173.8	-171.4	-178.1	13.3	0	0	110.4	N137 Q153 S185	N137-Q187 CarbonylContact O-C 3.52Å; N137-Q187 WeakPolarHBondContact O-CA 3.34Å; N137-Q187 WeakPolarHBondContact O-CG 3.3Å; Q153-Q187 HydrophobicContact CG-CB 4.26Å; Q153-Q187 HydrophobicContact CG-CG 4.02Å; S185-Q187 PolarHBondContact O-N 2.7Å; S185-Q187 WeakPolarHBondContact OG-CB 3.43Å; S185-Q187 PolarHBondContact OG-N 2.88Å
188	V	96.4	Very high	92.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.			trans	-141.8	126.6	174.3	177.5	0	0	0	0	107.7	L129 N137 I139 C151 Y152 Y162 W179 F186	L129-V188 HydrophobicContact CD1-CG1 4.07Å; N137-V188 CarbonylContact C-O 3.53Å; N137-V188 CarbonylContact O-C 3.58Å; N137-V188 PolarHBondContact O-N 3.42Å; N137-V188 VanDerWaalsContact O-O 3.1Å; I139-V188 HydrophobicContact CD1-CB 3.65Å; I139-V188 HydrophobicContact CD1-CG1 3.56Å; I139-V188 HydrophobicContact CD1-CG2 4.38Å; I139-V188 HydrophobicContact CG1-CB 4.01Å; I139-V188 HydrophobicContact CG1-CG1 4.44Å; C151-V188 HydrophobicContact CB-CG1 3.77Å; C151-V188 HydrophobicContact CB-CG2 4.14Å; Y152-V188 WeakPolarHBondContact O-CA 3.26Å; Y162-V188 HydrophobicContact CD2-CG2 4.47Å; W179-V188 HydrophobicContact CE3-CG2 4.32Å; W179-V188 HydrophobicContact CH2-CG2 3.63Å; W179-V188 HydrophobicContact CZ3-CG2 3.44Å; W179-V188 VanDerWaalsContact CZ3-CG2 3.44Å; F186-V188 PolarHBondContact O-N 3.34Å
189	Q	96.9	Very high	92.7	Very high	19 Å²	19	36.6 Å²	36.6	9%	0.089	19%	0.191	C	C	.	.			trans	-130.8	-11.2	-174.7	-63.6	-176.1	75.9	0	0	113.7	S128 L129 N137 Y152 Q153 P155	S128-Q189 WeakPolarHBondContact CA-O 3.07Å; L129-Q189 PolarHBondContact N-O 3.14Å; N137-Q189 HydrophobicContact CB-CG 4.02Å; N137-Q189 PolarHBondContact OD1-OE1 2.9Å; Y152-Q189 PolarHBondContact O-N 2.91Å; Q153-Q189 WeakPolarHBondContact O-CG 3.23Å; Q153-Q189 PolarHBondContact O-NE2 3.05Å; P155-Q189 HydrophobicContact CG-CB 3.97Å
190	S	97.4	Very high	92.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	155.3	166.3	62.1	0	0	0	0	110.3	Y126 P127 Y152 F154 Y157	Y126-S190 CarbonylContact O-C 3.54Å; Y126-S190 WeakPolarHBondContact O-CA 3.49Å; Y126-S190 WeakPolarHBondContact O-CB 3.37Å; P127-S190 VanDerWaalsContact O-CB 3.3Å; P127-S190 WeakPolarHBondContact O-CB 3.47Å; Y152-S190 WeakPolarHBondContact CB-OG 3.22Å; Y152-S190 PolarHBondContact N-O 2.93Å; Y152-S190 PolarHBondContact O-N 3.38Å; F154-S190 PolarHBondContact O-OG 3.1Å; Y157-S190 WeakPolarHBondContact CA-OG 3.35Å; Y157-S190 PolarHBondContact N-OG 2.86Å
191	L	98.1	Very high	92.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	156.7	177.4	55.8	81.8	0	0	0	109.8	L109 I122 Y126 L129 I139 W149 V150	L109-L191 HydrophobicContact CD1-CD2 4.01Å; L109-L191 HydrophobicContact CD2-CD2 4.06Å; I122-L191 HydrophobicContact CD1-CD1 3.36Å; I122-L191 HydrophobicContact CD1-CD2 3.75Å; I122-L191 HydrophobicContact CD1-CG 4.23Å; Y126-L191 CarbonylContact C-O 3.51Å; Y126-L191 HydrophobicContact CD2-CD1 3.79Å; Y126-L191 HydrophobicContact CG-CD1 4.48Å; Y126-L191 PolarHBondContact N-O 2.8Å; Y126-L191 PolarHBondContact O-N 3.12Å; L129-L191 HydrophobicContact CD1-CD2 4.26Å; L129-L191 HydrophobicContact CD2-CD2 3.86Å; L129-L191 HydrophobicContact CD2-CG 3.99Å; I139-L191 HydrophobicContact CD1-CD2 4.43Å; W149-L191 HydrophobicContact CE3-CD1 3.69Å; W149-L191 HydrophobicContact CZ3-CD1 3.5Å; V150-L191 VanDerWaalsContact O-CA 3.25Å; V150-L191 WeakPolarHBondContact O-CA 3.42Å
192	R	98.1	Very high	92.8	Very high	30 Å²	30	36.9 Å²	36.9	11%	0.113	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	159.4	176	67.7	-173.4	-173.5	81.5	-11.6	110.6	E70 D125 W149 V150 Y152 Y157	E70-R192 VanDerWaalsContact CD-NH1 3.25Å; E70-R192 IonicContact OE1-CZ 3.55Å; E70-R192 IonicContact OE1-NH1 3.55Å; E70-R192 PolarHBondContact OE1-NH1 3.29Å; E70-R192 IonicContact OE1-NH2 2.73Å; E70-R192 IonicContact OE2-CZ 3.47Å; E70-R192 VanDerWaalsContact OE2-CZ 3.31Å; E70-R192 IonicContact OE2-NH1 3.38Å; E70-R192 PolarHBondContact OE2-NH1 3.25Å; E70-R192 IonicContact OE2-NH2 3.12Å; E70-R192 PolarHBondContact OE2-NH2 3.06Å; D125-R192 HydrophobicContact CB-CB 3.86Å; D125-R192 WeakPolarHBondContact OD1-CA 3.19Å; D125-R192 WeakPolarHBondContact OD1-CB 3.37Å; W149-R192 WeakPolarHBondContact CA-O 3.49Å; V150-R192 HydrophobicContact CG1-CG 3.5Å; V150-R192 VanDerWaalsContact CG1-CG 3.5Å; V150-R192 PolarHBondContact N-O 3.47Å; V150-R192 PolarHBondContact O-N 2.73Å; Y152-R192 HydrophobicContact CE2-CG 4.11Å; Y152-R192 PolarHBondContact OH-NE 3.48Å; Y157-R192 HydrophobicContact CD1-CB 4.49Å; Y157-R192 HydrophobicContact CD1-CG 4.49Å; Y157-R192 HydrophobicContact CE1-CB 3.93Å; Y157-R192 HydrophobicContact CE1-CG 4.39Å
193	R	98.4	Very high	93.1	Very high	32 Å²	32	36.9 Å²	36.9	12%	0.121	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	142.7	172.4	-58.4	164.6	-67.1	-176.4	3.6	109	H102 N123 D124 D125 W149	H102-R193 PolarHBondContact CE1-NE 2.83Å; H102-R193 WeakPolarHBondContact ND1-CB 3.43Å; N123-R193 WeakPolarHBondContact O-CD 3.38Å; N123-R193 PolarHBondContact O-NH1 3.01Å; D124-R193 IonicContact OD1-CZ 3.06Å; D124-R193 IonicContact OD1-NH1 3.82Å; D124-R193 IonicContact OD1-NH2 2.91Å; D124-R193 PolarHBondContact OD1-NH2 3.23Å; D125-R193 WeakPolarHBondContact OD1-CB 3.22Å; D125-R193 WeakPolarHBondContact OD1-CG 3.28Å; D125-R193 IonicContact OD1-CZ 2.62Å; D125-R193 PolarHBondContact OD1-N 2.8Å; D125-R193 IonicContact OD1-NE 2.94Å; D125-R193 PolarHBondContact OD1-NE 3.44Å; D125-R193 IonicContact OD1-NH2 3.72Å; D125-R193 IonicContact OD2-CZ 2.75Å; D125-R193 IonicContact OD2-NE 2.73Å; D125-R193 IonicContact OD2-NH2 2.84Å; D125-R193 PolarHBondContact OD2-NH2 3.18Å; D125-R193 VanDerWaalsContact OD2-NH2 3.12Å; W149-R193 HydrophobicContact CD2-CG 4.12Å; W149-R193 HydrophobicContact CE3-CG 3.84Å; W149-R193 HydrophobicContact CH2-CG 3.48Å; W149-R193 VanDerWaalsContact CH2-CG 3.48Å; W149-R193 HydrophobicContact CZ2-CG 3.76Å; W149-R193 HydrophobicContact CZ3-CG 3.52Å
194	I	97.9	Very high	93.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-82.5	135	176.1	-62.3	-178.9	0	0	0	109.5	A53 V68 E70 I97 A100 A148 V150 I163	A53-I194 HydrophobicContact CB-CG2 3.47Å; A53-I194 VanDerWaalsContact CB-CG2 3.47Å; V68-I194 HydrophobicContact CG2-CD1 3.86Å; V68-I194 HydrophobicContact CG2-CG1 4.01Å; V68-I194 HydrophobicContact CG2-CG2 4.16Å; E70-I194 HydrophobicContact CG-CG2 4.26Å; E70-I194 WeakPolarHBondContact OE1-CA 3.39Å; I97-I194 HydrophobicContact CD1-CD1 3.79Å; I97-I194 HydrophobicContact CD1-CG2 4.37Å; I97-I194 HydrophobicContact CG2-CD1 4.47Å; A100-I194 HydrophobicContact CB-CG2 4.05Å; A148-I194 HydrophobicContact CB-CB 4.26Å; A148-I194 HydrophobicContact CB-CD1 3.99Å; A148-I194 HydrophobicContact CB-CG1 4.42Å; A148-I194 PolarHBondContact O-N 3.39Å; V150-I194 HydrophobicContact CB-CD1 4.26Å; V150-I194 HydrophobicContact CB-CG1 4.22Å; V150-I194 HydrophobicContact CG1-CG1 4.08Å; I163-I194 HydrophobicContact CG2-CD1 3.91Å
195	Q	93.3	Very high	94.2	Very high	99 Å²	99	31.6 Å²	31.6	46%	0.463	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-97.3	133.4	177.9	-61.3	179.1	38.1	0	0	110.6	A53 E70 H102	A53-Q195 WeakPolarHBondContact CB-O 3.33Å; E70-Q195 WeakPolarHBondContact CG-O 3.04Å; E70-Q195 PolarHBondContact OE1-N 3.47Å; H102-Q195 HydrophobicContact CB-CG 4.4Å
196	Q	81.4	Confident	94.8	Very high	75 Å²	75	31.3 Å²	31.3	35%	0.35	14%	0.14	S	C	.	.			trans	-91.8	0	176.6	65.5	-130.4	70.8	0	0	113.6	L9 G52 A100	L9-Q196 HydrophobicContact CD1-CB 4.11Å; L9-Q196 HydrophobicContact CD1-CG 3.73Å; G52-Q196 WeakPolarHBondContact CA-OXT 3.2Å; G52-Q196 PolarHBondContact N-OXT 2.98Å; A100-Q196 HydrophobicContact CB-CB 4.38Å; A100-Q196 PolarHBondContact O-NE2 3.43Å; A100-Q196 PolarHBondContact O-OE1 3.26Å

Retrieved 196 of 196 residues in 127.5 ms (Link to these results)

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