A0A096NNJ1_PAPAN Loading...

Rae1 protein homolog

AlphaFold DB (Q5RF99), UniProt , Accession A0A096NNJ1, Species PAPAN (Papio anubis, Olive baboon), Gene RAE1, Length 368 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	43.9	Very low	47.9	Very low	239 Å²	239	102.2 Å²	102.2	100%	1.177	65%	0.654	S	S	*	*				0	127	0	-67.9	-179.7	-161.8	0	0	106.9	L3	M1-L3 PolarHBondContact O-N 2.67Å
2	S	53.8	Low	47	Very low	102 Å²	102	105.9 Å²	105.9	71%	0.713	68%	0.675	S	S	*	*			trans	-65.3	118.6	177.2	-173.9	0	0	0	0	108.8	F4	S2-F4 PolarHBondContact O-N 3.46Å; S2-F4 PolarHBondContact OG-O 2.82Å
3	L	61.4	Low	46.5	Very low	37 Å²	37	107.5 Å²	107.5	19%	0.194	69%	0.691	C	S	.	*	S	Bend	trans	-71	-12.5	176.4	-86	149.1	0	0	0	113.2	M1 L52 F56 L115 S116	M1-L3 PolarHBondContact O-N 2.67Å; L3-L52 HydrophobicContact CD1-CD2 3.78Å; L3-L52 HydrophobicContact CD2-CD2 3.64Å; L3-L52 HydrophobicContact CG-CD2 4.3Å; L3-F56 HydrophobicContact CD1-CE2 4.05Å; L3-F56 HydrophobicContact CD1-CZ 4.19Å; L3-L115 CarbonylContact O-C 3.55Å; L3-S116 WeakPolarHBondContact O-CA 3.41Å; L3-S116 PolarHBondContact O-N 3.2Å
4	F	60.2	Low	45.8	Very low	30 Å²	30	105.3 Å²	105.3	13%	0.132	70%	0.698	C	S	.	*	S	Bend	trans	-124.7	121.7	-179.1	-56.6	-82	0	0	0	108	S2 F56 K80 L115	S2-F4 PolarHBondContact O-N 3.46Å; S2-F4 PolarHBondContact OG-O 2.82Å; F4-F56 HydrophobicContact CE2-CD1 4.12Å; F4-F56 AromaticContact CE2-CE1 3.34Å; F4-F56 HydrophobicContact CE2-CE1 3.34Å; F4-F56 AromaticContact CE2-CZ 3.86Å; F4-F56 HydrophobicContact CE2-CZ 3.86Å; F4-F56 AromaticContact CZ-CD1 3.82Å; F4-F56 HydrophobicContact CZ-CD1 3.82Å; F4-F56 AromaticContact CZ-CE1 3.54Å; F4-F56 HydrophobicContact CZ-CE1 3.54Å; F4-F56 HydrophobicContact CZ-CZ 4.35Å; F4-K80 HydrophobicContact CD1-CB 3.92Å; F4-K80 HydrophobicContact CE1-CB 3.45Å; F4-K80 VanDerWaalsContact CE1-CB 3.45Å; F4-K80 HydrophobicContact CE1-CG 4.12Å; F4-K80 HydrophobicContact CE2-CB 4.34Å; F4-K80 HydrophobicContact CE2-CD 4.34Å; F4-K80 HydrophobicContact CE2-CG 4.15Å; F4-K80 HydrophobicContact CZ-CB 3.69Å; F4-K80 HydrophobicContact CZ-CD 4.48Å; F4-K80 HydrophobicContact CZ-CG 3.81Å; F4-L115 HydrophobicContact CE1-CD2 4.4Å
5	G	46.7	Very low	45.2	Very low	41 Å²	41	107.6 Å²	107.6	42%	0.423	71%	0.708	S	S	.	*			trans	-60.5	146.7	156	0	0	0	0	0	109.1	T7 S116	G5-T7 PolarHBondContact O-N 3.09Å; G5-S116 PolarHBondContact N-O 3.47Å; G5-S116 VanDerWaalsContact N-O 3.13Å
6	T	42.6	Very low	44.5	Very low	154 Å²	154	108.3 Å²	108.3	95%	0.945	72%	0.716	S	S	*	*			trans	-53.7	111.3	178.3	47.1	0	0	0	0	110.7
7	T	47.2	Very low	44.1	Very low	80 Å²	80	112.7 Å²	112.7	49%	0.491	73%	0.727	S	S	.	*			trans	-114.4	143.6	174.4	47.3	0	0	0	0	111	G5	G5-T7 PolarHBondContact O-N 3.09Å
8	S	44.3	Very low	43.7	Very low	100 Å²	100	118.7 Å²	118.7	70%	0.699	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-55.8	128.6	179.9	47	0	0	0	0	112.7
9	G	39.3	Very low	43.2	Very low	77 Å²	77	116.2 Å²	116.2	79%	0.794	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-67.1	136.5	172.4	0	0	0	0	0	112.1
10	F	50.2	Low	42.8	Very low	185 Å²	185	115.6 Å²	115.6	81%	0.811	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-83.9	123.3	167.3	-71.7	-79.6	0	0	0	109.1
11	G	37.7	Very low	42.3	Very low	79 Å²	79	115.3 Å²	115.3	81%	0.814	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-70.8	139.9	-178.6	0	0	0	0	0	112.7
12	T	37.1	Very low	42.1	Very low	147 Å²	147	108.9 Å²	108.9	90%	0.902	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-94.5	129.5	164.9	45.2	0	0	0	0	109.2
13	S	39.6	Very low	41.8	Very low	127 Å²	127	110.5 Å²	110.5	89%	0.888	73%	0.728	S	S	*	*			trans	-137.4	132.8	163.2	66.5	0	0	0	0	107.7
14	G	36.8	Very low	41.8	Very low	76 Å²	76	114 Å²	114	78%	0.784	75%	0.746	S	S	*	*			trans	155.1	81.1	177.2	0	0	0	0	0	114.4
15	T	38	Very low	42.8	Very low	140 Å²	140	117.4 Å²	117.4	86%	0.859	77%	0.766	S	S	*	*			trans	-36.2	143.7	166.6	36.8	0	0	0	0	117.5
16	S	32.7	Very low	45	Very low	118 Å²	118	116.2 Å²	116.2	83%	0.825	75%	0.75	S	S	*	*			trans	-63.9	140.2	168.2	58.1	0	0	0	0	113.8
17	M	38.5	Very low	47.5	Very low	184 Å²	184	110 Å²	110	91%	0.906	71%	0.711	S	S	*	*			trans	-143.7	140.7	151.8	-81.9	-152.4	-108.4	0	0	110.5
18	F	36.3	Very low	49.8	Very low	220 Å²	220	107.5 Å²	107.5	97%	0.965	70%	0.695	S	S	*	*			trans	-53.3	140.9	-175.6	-63.8	-95.9	0	0	0	114.3
19	G	35.3	Very low	52.2	Low	72 Å²	72	104.4 Å²	104.4	74%	0.742	67%	0.67	S	S	*	*			trans	-177.7	113.9	168.3	0	0	0	0	0	114.7
20	S	34.4	Very low	54.9	Low	103 Å²	103	109.5 Å²	109.5	72%	0.72	67%	0.671	S	S	*	*			trans	43.6	111.7	154.2	176.2	0	0	0	0	118.8	T22	S20-T22 VanDerWaalsContact C-N 3.27Å; S20-T22 PolarHBondContact O-N 2.89Å
21	A	32.2	Very low	57.1	Low	110 Å²	110	101.5 Å²	101.5	91%	0.909	64%	0.636	S	S	*	*			trans	-64.3	82	164.4	0	0	0	0	0	111.2
22	T	40.3	Very low	59.9	Low	105 Å²	105	100.5 Å²	100.5	64%	0.644	61%	0.612	S	S	*	*			trans	-70.3	124.4	156.9	47.1	0	0	0	0	107.1	S20 D24	S20-T22 VanDerWaalsContact C-N 3.27Å; S20-T22 PolarHBondContact O-N 2.89Å; T22-D24 PolarHBondContact O-N 3.26Å
23	T	48.2	Very low	62.7	Low	136 Å²	136	97.5 Å²	97.5	83%	0.834	59%	0.587	S	S	*	*			trans	-56.3	102.2	171.2	45	0	0	0	0	108.7	N25	T23-N25 PolarHBondContact O-N 3.37Å; T23-N25 VanDerWaalsContact O-N 3.12Å
24	D	60.8	Low	65.5	Low	110 Å²	110	91.8 Å²	91.8	59%	0.588	55%	0.547	S	S	*	.			trans	-81.2	96.8	-167.8	-154.6	-1.9	0	0	0	109.7	T22 H26	T22-D24 PolarHBondContact O-N 3.26Å; D24-H26 VanDerWaalsContact C-N 3.35Å; D24-H26 IonicContact OD1-CE1 3.55Å; D24-H26 PolarHBondContact OD1-CE1 3.2Å; D24-H26 IonicContact OD1-CG 3.2Å; D24-H26 IonicContact OD1-ND1 2.85Å; D24-H26 PolarHBondContact OD1-ND1 2.79Å; D24-H26 IonicContact OD2-CE1 3.46Å; D24-H26 PolarHBondContact OD2-CE1 3.31Å; D24-H26 IonicContact OD2-ND1 3.6Å; D24-H26 PolarHBondContact OD2-ND1 2.77Å
25	N	81.9	Confident	68.3	Low	101 Å²	101	91.2 Å²	91.2	54%	0.54	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	13.5	-169	-157	34.8	0	0	0	113.5	T23	T23-N25 PolarHBondContact O-N 3.37Å; T23-N25 VanDerWaalsContact O-N 3.12Å
26	H	92.5	Very high	71	Confident	17 Å²	17	88.4 Å²	88.4	8%	0.079	52%	0.515	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-26.6	-177.8	72.2	-85.2	0	0	0	113.1	D24 P28 E33 L314 D315 Y352 F354	D24-H26 VanDerWaalsContact C-N 3.35Å; D24-H26 IonicContact OD1-CE1 3.55Å; D24-H26 PolarHBondContact OD1-CE1 3.2Å; D24-H26 IonicContact OD1-CG 3.2Å; D24-H26 IonicContact OD1-ND1 2.85Å; D24-H26 PolarHBondContact OD1-ND1 2.79Å; D24-H26 IonicContact OD2-CE1 3.46Å; D24-H26 PolarHBondContact OD2-CE1 3.31Å; D24-H26 IonicContact OD2-ND1 3.6Å; D24-H26 PolarHBondContact OD2-ND1 2.77Å; H26-P28 VanDerWaalsContact C-CD 3.44Å; H26-E33 IonicContact NE2-OE1 3.22Å; H26-E33 PolarHBondContact NE2-OE1 3.43Å; H26-E33 IonicContact NE2-OE2 2.7Å; H26-L314 WeakPolarHBondContact O-CG 3.43Å; H26-D315 WeakPolarHBondContact CA-OD1 3.5Å; H26-D315 WeakPolarHBondContact CB-OD1 3.3Å; H26-Y352 HydrophobicContact CB-CD2 4.22Å; H26-Y352 HydrophobicContact CB-CE2 3.68Å; H26-Y352 AromaticContact CD2-CD2 3.88Å; H26-Y352 AromaticContact CD2-CE1 3.73Å; H26-Y352 AromaticContact CD2-CE2 3.54Å; H26-Y352 AromaticContact CD2-CZ 3.44Å; H26-Y352 VanDerWaalsContact CD2-CZ 3.44Å; H26-Y352 AromaticContact CG-CE2 3.68Å; H26-Y352 AromaticContact CG-CZ 3.77Å; H26-Y352 AromaticContact NE2-CE1 3.94Å; H26-Y352 AromaticContact NE2-CZ 3.93Å; H26-F354 WeakPolarHBondContact O-CZ 3.49Å
27	N	95.2	Very high	73.8	Confident	24 Å²	24	84 Å²	84	13%	0.128	48%	0.484	C	S	.	.			trans	-127.9	61.3	-178.4	-169.1	3.5	0	0	0	112.2	M29 K30 D31 E33 F354	N27-M29 PolarHBondContact O-N 2.65Å; N27-K30 PolarHBondContact O-N 3.4Å; N27-K30 VanDerWaalsContact O-N 3.08Å; N27-K30 PolarHBondContact OD1-N 2.73Å; N27-D31 PolarHBondContact ND2-O 2.93Å; N27-D31 PolarHBondContact OD1-N 3.11Å; N27-E33 PolarHBondContact ND2-OE1 3.21Å; N27-F354 HydrophobicContact CB-CE1 3.62Å; N27-F354 HydrophobicContact CB-CZ 3.95Å; N27-F354 WeakPolarHBondContact ND2-CE1 3.49Å
28	P	95.6	Very high	76.6	Confident	26 Å²	26	75.4 Å²	75.4	17%	0.169	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-29.1	-175.5	26.3	-34.7	0	0	0	112.9	H26 K30 E312 L314	H26-P28 VanDerWaalsContact C-CD 3.44Å; P28-K30 VanDerWaalsContact C-N 3.26Å; P28-K30 PolarHBondContact O-N 3.01Å; P28-E312 HydrophobicContact CB-CB 3.97Å; P28-E312 WeakPolarHBondContact CB-OE2 3.45Å; P28-E312 HydrophobicContact CG-CB 3.91Å; P28-L314 HydrophobicContact CG-CD1 4.29Å
29	M	94.5	Very high	79.4	Confident	36 Å²	36	71 Å²	71	18%	0.177	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-9.6	178.9	-60.7	-53.5	-48.8	0	0	113.7	N27 D31 E312	N27-M29 PolarHBondContact O-N 2.65Å; M29-D31 VanDerWaalsContact CB-OD2 3.3Å; M29-D31 WeakPolarHBondContact CB-OD2 3.19Å; M29-D31 PolarHBondContact O-N 3.31Å; M29-E312 HydrophobicContact SD-CB 3.64Å; M29-E312 HydrophobicContact SD-CG 3.64Å; M29-E312 PolarHBondContact SD-N 2.69Å; M29-E312 VanDerWaalsContact SD-N 3.4Å
30	K	94.9	Very high	82.4	Confident	184 Å²	184	69.2 Å²	69.2	80%	0.8	40%	0.402	S	S	*	.			trans	52.9	38.9	-172.5	-55	-179.9	-178.2	179.3	0	112.3	N27 P28	N27-K30 PolarHBondContact O-N 3.4Å; N27-K30 VanDerWaalsContact O-N 3.08Å; N27-K30 PolarHBondContact OD1-N 2.73Å; P28-K30 VanDerWaalsContact C-N 3.26Å; P28-K30 PolarHBondContact O-N 3.01Å
31	D	95.9	Very high	85.4	Confident	16 Å²	16	64.5 Å²	64.5	9%	0.086	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-76.8	161.1	175.1	-78.1	-40.7	0	0	0	109.9	N27 M29 E33 Y332 F354 R356	N27-D31 PolarHBondContact ND2-O 2.93Å; N27-D31 PolarHBondContact OD1-N 3.11Å; M29-D31 VanDerWaalsContact CB-OD2 3.3Å; M29-D31 WeakPolarHBondContact CB-OD2 3.19Å; M29-D31 PolarHBondContact O-N 3.31Å; D31-E33 PolarHBondContact O-N 3.03Å; D31-Y332 WeakPolarHBondContact CB-OH 3.27Å; D31-Y332 PolarHBondContact OD2-OH 3.13Å; D31-F354 HydrophobicContact CB-CB 4.15Å; D31-R356 VanDerWaalsContact CG-NH1 3.32Å; D31-R356 WeakPolarHBondContact OD1-CG 3.39Å; D31-R356 IonicContact OD1-CZ 3.87Å; D31-R356 IonicContact OD1-NH1 2.72Å; D31-R356 PolarHBondContact OD1-NH1 3.23Å; D31-R356 WeakPolarHBondContact OD2-CD 3.43Å; D31-R356 IonicContact OD2-NH1 2.66Å; D31-R356 PolarHBondContact OD2-NH1 3.27Å; D31-R356 VanDerWaalsContact OD2-NH1 3.11Å
32	I	96.5	Very high	88.6	Confident	59 Å²	59	59.3 Å²	59.3	30%	0.303	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	126.2	-170.8	-57.6	179.2	0	0	0	109.6	G75 F354 L355	I32-G75 VanDerWaalsContact CG2-O 3.31Å; I32-G75 WeakPolarHBondContact CG2-O 3.32Å; I32-F354 CarbonylContact O-C 3.47Å; I32-F354 VanDerWaalsContact O-CA 3.3Å; I32-F354 WeakPolarHBondContact O-CA 3.4Å; I32-L355 HydrophobicContact CB-CB 4.29Å; I32-L355 PolarHBondContact N-O 2.85Å; I32-L355 PolarHBondContact O-N 3.49Å
33	E	97	Very high	91.4	Very high	83 Å²	83	55.8 Å²	55.8	39%	0.388	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	131.8	177	-75.4	168.1	-129.3	0	0	111.7	H26 N27 D31 F354	H26-E33 IonicContact NE2-OE1 3.22Å; H26-E33 PolarHBondContact NE2-OE1 3.43Å; H26-E33 IonicContact NE2-OE2 2.7Å; N27-E33 PolarHBondContact ND2-OE1 3.21Å; D31-E33 PolarHBondContact O-N 3.03Å; E33-F354 HydrophobicContact CG-CD1 3.71Å; E33-F354 HydrophobicContact CG-CE1 3.44Å; E33-F354 VanDerWaalsContact CG-CE1 3.44Å
34	V	97.8	Very high	93.8	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.042	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-71.7	128.9	170.9	-179.6	0	0	0	0	109.3	L57 W69 T77 I353 L355	V34-L57 HydrophobicContact CG2-CD2 4.38Å; V34-W69 HydrophobicContact CG1-CD2 3.78Å; V34-W69 HydrophobicContact CG1-CE3 4.45Å; V34-W69 HydrophobicContact CG1-CG 3.86Å; V34-W69 HydrophobicContact CG1-CZ2 4.16Å; V34-T77 WeakPolarHBondContact CA-OG1 3.22Å; V34-T77 HydrophobicContact CB-CG2 4.45Å; V34-T77 HydrophobicContact CG1-CG2 4.22Å; V34-T77 HydrophobicContact CG2-CG2 4.18Å; V34-I353 HydrophobicContact CB-CB 4Å; V34-I353 HydrophobicContact CB-CG2 4.43Å; V34-I353 HydrophobicContact CG2-CB 3.77Å; V34-I353 HydrophobicContact CG2-CG2 3.67Å; V34-I353 WeakPolarHBondContact CG2-O 3.21Å; V34-I353 PolarHBondContact N-O 3.43Å; V34-L355 HydrophobicContact CG2-CD1 3.98Å; V34-L355 HydrophobicContact CG2-CD2 3.99Å; V34-L355 HydrophobicContact CG2-CG 3.78Å
35	T	95.8	Very high	95.6	Very high	64 Å²	64	45.2 Å²	45.2	39%	0.393	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	140.4	179.3	58.4	0	0	0	0	111.4	W69 T77	T35-W69 PolarHBondContact O-NE1 2.94Å; T35-T77 PolarHBondContact N-OG1 3.18Å; T35-T77 PolarHBondContact OG1-O 2.78Å; T35-T77 PolarHBondContact OG1-OG1 3.35Å
36	S	94.3	Very high	96.4	Very high	82 Å²	82	41.6 Å²	41.6	57%	0.573	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	49.6	174.4	-54.7	0	0	0	0	113.5	R67	S36-R67 PolarHBondContact O-NH1 3.03Å
37	S	92.1	Very high	96.7	Very high	26 Å²	26	41.5 Å²	41.5	18%	0.182	23%	0.231	C	C	.	.			trans	-58.8	159.4	174.9	54.1	0	0	0	0	112.8	R67 N351	S37-R67 PolarHBondContact O-NH1 2.84Å; S37-N351 VanDerWaalsContact CB-O 3.27Å; S37-N351 WeakPolarHBondContact CB-O 3.49Å; S37-N351 PolarHBondContact OG-O 2.67Å
38	P	96.6	Very high	96.8	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.019	23%	0.225	C	C	.	.			trans	-58.4	151.8	-179.1	-27.2	37.1	0	0	0	114.8	I42 W69	P38-I42 HydrophobicContact CB-CD1 4.4Å; P38-I42 HydrophobicContact CB-CG1 4.3Å; P38-I42 HydrophobicContact CG-CD1 4.31Å; P38-I42 HydrophobicContact CG-CG1 3.89Å; P38-W69 HydrophobicContact CG-CH2 4.3Å
39	D	95.9	Very high	97	Very high	126 Å²	126	40.2 Å²	40.2	67%	0.674	22%	0.224	S	C	*	.	S	Bend	trans	-76.9	-21.9	-173.1	-57.9	-55.6	0	0	0	113.3	R67	D39-R67 IonicContact OD2-NH2 3.22Å; D39-R67 PolarHBondContact OD2-NH2 3.11Å
40	D	97.7	Very high	97.1	Very high	35 Å²	35	43 Å²	43	19%	0.187	25%	0.245	C	C	.	.	S	Bend	trans	-130	177.6	172.7	-161.2	7.9	0	0	0	110.5	W62 A63 Y345 N351	D40-W62 HydrophobicContact CB-CB 4.29Å; D40-W62 WeakPolarHBondContact OD2-CB 3.28Å; D40-A63 HydrophobicContact CB-CB 3.93Å; D40-Y345 PolarHBondContact OD1-OH 3.23Å; D40-N351 VanDerWaalsContact CA-ND2 3.33Å; D40-N351 WeakPolarHBondContact CA-ND2 3.23Å; D40-N351 PolarHBondContact O-ND2 2.69Å
41	S	98.6	Very high	97.2	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.028	23%	0.231	C	C	.	.			trans	-50.9	137.6	-169.7	-59.4	0	0	0	0	112.9	S61 W62 Y336 N351	S41-S61 CarbonylContact O-C 3.49Å; S41-S61 WeakPolarHBondContact O-CA 3.5Å; S41-W62 VanDerWaalsContact O-CD1 3.27Å; S41-W62 PolarHBondContact O-N 3.42Å; S41-Y336 PolarHBondContact OG-O 3.38Å; S41-N351 WeakPolarHBondContact CA-OD1 3.38Å
42	I	98.8	Very high	97.3	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.3	178.7	-65.3	85.2	0	0	0	109.3	P38 C44 L45 A59 S319 A333 S335 N351 I353	P38-I42 HydrophobicContact CB-CD1 4.4Å; P38-I42 HydrophobicContact CB-CG1 4.3Å; P38-I42 HydrophobicContact CG-CD1 4.31Å; P38-I42 HydrophobicContact CG-CG1 3.89Å; I42-C44 WeakPolarHBondContact CG2-O 3.39Å; I42-L45 HydrophobicContact CG2-CD2 4.18Å; I42-L45 HydrophobicContact CG2-CG 4.32Å; I42-A59 HydrophobicContact CG2-CB 4.3Å; I42-S319 VanDerWaalsContact O-CB 3.29Å; I42-S319 WeakPolarHBondContact O-CB 3.23Å; I42-S319 PolarHBondContact O-OG 2.59Å; I42-A333 HydrophobicContact CB-CB 3.72Å; I42-A333 HydrophobicContact CD1-CB 4.41Å; I42-A333 HydrophobicContact CG1-CB 4.24Å; I42-A333 HydrophobicContact CG2-CB 3.78Å; I42-S335 WeakPolarHBondContact CD1-OG 3.38Å; I42-S335 PolarHBondContact N-OG 2.98Å; I42-S335 VanDerWaalsContact N-OG 3.08Å; I42-N351 HydrophobicContact CD1-CB 3.47Å; I42-N351 VanDerWaalsContact CD1-CB 3.47Å; I42-I353 HydrophobicContact CD1-CG1 4.34Å; I42-I353 HydrophobicContact CG1-CD1 4.34Å; I42-I353 HydrophobicContact CG1-CG1 4.25Å
43	G	98.3	Very high	97.2	Very high	30 Å²	30	40.3 Å²	40.3	31%	0.309	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-30	178.6	0	0	0	0	0	114.2	G60	G43-G60 PolarHBondContact N-O 2.84Å
44	C	98.7	Very high	97.1	Very high	7 Å²	7	38.4 Å²	38.4	5%	0.047	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	153.1	-172.5	52.9	0	0	0	0	112.4	I42 A59 G60 D91 V92	I42-C44 WeakPolarHBondContact CG2-O 3.39Å; C44-A59 WeakPolarHBondContact O-CA 3.39Å; C44-G60 PolarHBondContact O-N 3.31Å; C44-D91 VanDerWaalsContact SG-CA 3.54Å; C44-V92 HydrophobicContact CB-CG2 4.27Å
45	L	98.9	Very high	97	Very high	18 Å²	18	38.5 Å²	38.5	9%	0.094	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	140.8	175.2	-69.6	175	0	0	0	109.3	I42 L57 I58 A59 A320 A331 A333 I353	I42-L45 HydrophobicContact CG2-CD2 4.18Å; I42-L45 HydrophobicContact CG2-CG 4.32Å; L45-L57 HydrophobicContact CB-CD1 4.45Å; L45-L57 HydrophobicContact CD2-CD1 4.31Å; L45-L57 HydrophobicContact CD2-CD2 4.41Å; L45-I58 VanDerWaalsContact CA-O 3.31Å; L45-I58 WeakPolarHBondContact CA-O 3.2Å; L45-A59 HydrophobicContact CD2-CB 3.6Å; L45-A320 HydrophobicContact CD1-CB 4.3Å; L45-A320 HydrophobicContact CG-CB 4.08Å; L45-A331 HydrophobicContact CD1-CB 4.22Å; L45-A333 HydrophobicContact CD1-CB 4.05Å; L45-I353 HydrophobicContact CD1-CG2 4.32Å; L45-I353 HydrophobicContact CD2-CD1 4.08Å; L45-I353 HydrophobicContact CD2-CG1 4.47Å; L45-I353 HydrophobicContact CD2-CG2 4.21Å
46	S	98.8	Very high	97.2	Very high	24 Å²	24	35.8 Å²	35.8	17%	0.168	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	125.6	174.8	-165.7	0	0	0	0	112	I58 W94	S46-I58 PolarHBondContact N-O 3.41Å; S46-I58 PolarHBondContact O-N 3.02Å; S46-W94 PolarHBondContact O-NE1 2.78Å
47	F	98.6	Very high	97.4	Very high	15 Å²	15	31.9 Å²	31.9	7%	0.066	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	151.6	172	-86.5	-74.9	0	0	0	112	N55 F56 L57 V71 W94 C322 F323 N324 I329 A331 L355	F47-N55 HydrophobicContact CD1-CB 4.33Å; F47-N55 HydrophobicContact CE1-CB 4.23Å; F47-F56 CarbonylContact C-O 3.5Å; F47-F56 VanDerWaalsContact CA-O 3.29Å; F47-F56 WeakPolarHBondContact CA-O 3.13Å; F47-F56 WeakPolarHBondContact CD1-O 3.4Å; F47-L57 HydrophobicContact CD1-CB 4.12Å; F47-L57 HydrophobicContact CD1-CD1 4.14Å; F47-L57 HydrophobicContact CD2-CD1 3.9Å; F47-L57 HydrophobicContact CE1-CB 3.86Å; F47-L57 HydrophobicContact CE1-CD1 4.1Å; F47-L57 HydrophobicContact CE1-CG 4.48Å; F47-L57 HydrophobicContact CE2-CD1 3.89Å; F47-L57 HydrophobicContact CG-CD1 4.05Å; F47-L57 HydrophobicContact CZ-CB 4.37Å; F47-L57 HydrophobicContact CZ-CD1 3.97Å; F47-V71 HydrophobicContact CE1-CB 4.41Å; F47-V71 HydrophobicContact CE1-CG2 3.96Å; F47-W94 VanDerWaalsContact C-NE1 3.35Å; F47-W94 PolarHBondContact O-NE1 3Å; F47-C322 VanDerWaalsContact CD2-SG 3.59Å; F47-F323 VanDerWaalsContact CD2-C 3.41Å; F47-F323 WeakPolarHBondContact CD2-O 3.41Å; F47-N324 HydrophobicContact CB-CB 4.2Å; F47-N324 HydrophobicContact CD1-CB 3.86Å; F47-N324 VanDerWaalsContact CD2-CA 3.45Å; F47-N324 HydrophobicContact CD2-CB 3.79Å; F47-N324 VanDerWaalsContact CD2-N 3.26Å; F47-N324 HydrophobicContact CE1-CB 4.09Å; F47-N324 HydrophobicContact CE2-CB 4Å; F47-N324 HydrophobicContact CG-CB 3.71Å; F47-N324 HydrophobicContact CZ-CB 4.16Å; F47-I329 HydrophobicContact CE2-CG2 4.33Å; F47-I329 HydrophobicContact CZ-CB 4.38Å; F47-I329 HydrophobicContact CZ-CG2 3.91Å; F47-A331 HydrophobicContact CD2-CB 4.47Å; F47-A331 HydrophobicContact CE2-CB 3.53Å; F47-A331 HydrophobicContact CZ-CB 4.09Å; F47-L355 HydrophobicContact CZ-CD2 4.24Å
48	S	98.4	Very high	97.7	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.014	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-59.2	152.9	175.6	55	0	0	0	0	113.6	F56	S48-F56 PolarHBondContact N-O 2.94Å; S48-F56 PolarHBondContact OG-N 2.93Å
49	P	98.3	Very high	97.8	Very high	21 Å²	21	30.5 Å²	30.5	14%	0.136	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-67.1	164.1	173.5	31.6	-39.7	0	0	0	112.4	T51 L52 S95	P49-T51 VanDerWaalsContact CG-OG1 3.28Å; P49-T51 WeakPolarHBondContact CG-OG1 3.22Å; P49-T51 PolarHBondContact O-N 2.82Å; P49-T51 VanDerWaalsContact O-N 3.11Å; P49-L52 PolarHBondContact O-N 3.41Å; P49-S95 WeakPolarHBondContact CG-O 3.09Å
50	P	97.4	Very high	97.9	Very high	95 Å²	95	24.5 Å²	24.5	62%	0.617	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-9.8	177.6	28.6	-36.1	0	0	0	114.3	L52 H325	P50-L52 VanDerWaalsContact C-N 3.29Å; P50-H325 HydrophobicContact CB-CB 4.23Å; P50-H325 WeakPolarHBondContact CB-ND1 3.01Å
51	T	97.6	Very high	98	Very high	84 Å²	84	22.9 Å²	22.9	52%	0.515	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-19	177.4	47.6	0	0	0	0	112.7	P49 D96	P49-T51 VanDerWaalsContact CG-OG1 3.28Å; P49-T51 WeakPolarHBondContact CG-OG1 3.22Å; P49-T51 PolarHBondContact O-N 2.82Å; P49-T51 VanDerWaalsContact O-N 3.11Å; T51-D96 VanDerWaalsContact CG2-O 3.32Å; T51-D96 WeakPolarHBondContact CG2-O 3.09Å; T51-D96 PolarHBondContact OG1-O 3.23Å
52	L	96.3	Very high	98	Very high	14 Å²	14	28.6 Å²	28.6	7%	0.073	18%	0.177	C	C	.	.	S	Bend	trans	-89.6	136.9	171	-70.9	-178.2	0	0	0	111.4	L3 P49 P50 G54 F56 W94 G98	L3-L52 HydrophobicContact CD1-CD2 3.78Å; L3-L52 HydrophobicContact CD2-CD2 3.64Å; L3-L52 HydrophobicContact CG-CD2 4.3Å; P49-L52 PolarHBondContact O-N 3.41Å; P50-L52 VanDerWaalsContact C-N 3.29Å; L52-G54 PolarHBondContact O-N 3.08Å; L52-F56 HydrophobicContact CD1-CD2 4.1Å; L52-W94 HydrophobicContact CD1-CE3 4.26Å; L52-W94 HydrophobicContact CD1-CH2 4.17Å; L52-W94 HydrophobicContact CD1-CZ3 3.63Å; L52-G98 VanDerWaalsContact CD1-O 3.26Å; L52-G98 WeakPolarHBondContact CD1-O 3.34Å
53	P	95.3	Very high	98	Very high	104 Å²	104	30.1 Å²	30.1	68%	0.675	19%	0.19	S	C	*	.	S	Bend	trans	-70.6	125.6	170.4	29.3	-32.6	0	0	0	110.3	F56	P53-F56 WeakPolarHBondContact O-CE2 3.3Å
54	G	94.2	Very high	98	Very high	43 Å²	43	31 Å²	31	44%	0.443	19%	0.188	S	C	.	.	S	Bend	trans	90.5	-166.9	-178.8	0	0	0	0	0	113.2	L52	L52-G54 PolarHBondContact O-N 3.08Å
55	N	97.2	Very high	98	Very high	9 Å²	9	30.8 Å²	30.8	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.2	179.8	-60.6	-82.9	0	0	0	109.6	F47 V71 N324	F47-N55 HydrophobicContact CD1-CB 4.33Å; F47-N55 HydrophobicContact CE1-CB 4.23Å; N55-V71 HydrophobicContact CB-CB 4.04Å; N55-V71 PolarHBondContact O-N 2.87Å; N55-N324 WeakPolarHBondContact OD1-CB 3.41Å; N55-N324 PolarHBondContact OD1-ND2 3.09Å
56	F	98.3	Very high	98	Very high	8 Å²	8	30 Å²	30	4%	0.035	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.5	171.3	-62.6	-88.1	0	0	0	109.8	L3 F4 F47 S48 L52 P53 W69 E70 K80 W94	L3-F56 HydrophobicContact CD1-CE2 4.05Å; L3-F56 HydrophobicContact CD1-CZ 4.19Å; F4-F56 HydrophobicContact CE2-CD1 4.12Å; F4-F56 AromaticContact CE2-CE1 3.34Å; F4-F56 HydrophobicContact CE2-CE1 3.34Å; F4-F56 AromaticContact CE2-CZ 3.86Å; F4-F56 HydrophobicContact CE2-CZ 3.86Å; F4-F56 AromaticContact CZ-CD1 3.82Å; F4-F56 HydrophobicContact CZ-CD1 3.82Å; F4-F56 AromaticContact CZ-CE1 3.54Å; F4-F56 HydrophobicContact CZ-CE1 3.54Å; F4-F56 HydrophobicContact CZ-CZ 4.35Å; F47-F56 CarbonylContact C-O 3.5Å; F47-F56 VanDerWaalsContact CA-O 3.29Å; F47-F56 WeakPolarHBondContact CA-O 3.13Å; F47-F56 WeakPolarHBondContact CD1-O 3.4Å; S48-F56 PolarHBondContact N-O 2.94Å; S48-F56 PolarHBondContact OG-N 2.93Å; L52-F56 HydrophobicContact CD1-CD2 4.1Å; P53-F56 WeakPolarHBondContact O-CE2 3.3Å; F56-W69 CarbonylContact C-O 3.52Å; F56-W69 VanDerWaalsContact CA-O 3.23Å; F56-W69 WeakPolarHBondContact CA-O 3.24Å; F56-E70 HydrophobicContact CD1-CB 3.98Å; F56-E70 HydrophobicContact CD1-CG 4.35Å; F56-E70 HydrophobicContact CE1-CB 3.65Å; F56-E70 HydrophobicContact CE1-CG 3.74Å; F56-E70 HydrophobicContact CZ-CG 4.12Å; F56-K80 HydrophobicContact CE1-CG 4.48Å; F56-W94 HydrophobicContact CB-CH2 3.66Å; F56-W94 HydrophobicContact CB-CZ2 3.75Å; F56-W94 HydrophobicContact CG-CH2 4.44Å
57	L	98.6	Very high	97.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.8	178.4	-178.5	67.6	0	0	0	109.9	V34 L45 F47 C68 W69 V71 A331 I353 L355	V34-L57 HydrophobicContact CG2-CD2 4.38Å; L45-L57 HydrophobicContact CB-CD1 4.45Å; L45-L57 HydrophobicContact CD2-CD1 4.31Å; L45-L57 HydrophobicContact CD2-CD2 4.41Å; F47-L57 HydrophobicContact CD1-CB 4.12Å; F47-L57 HydrophobicContact CD1-CD1 4.14Å; F47-L57 HydrophobicContact CD2-CD1 3.9Å; F47-L57 HydrophobicContact CE1-CB 3.86Å; F47-L57 HydrophobicContact CE1-CD1 4.1Å; F47-L57 HydrophobicContact CE1-CG 4.48Å; F47-L57 HydrophobicContact CE2-CD1 3.89Å; F47-L57 HydrophobicContact CG-CD1 4.05Å; F47-L57 HydrophobicContact CZ-CB 4.37Å; F47-L57 HydrophobicContact CZ-CD1 3.97Å; L57-C68 WeakPolarHBondContact O-CA 3.27Å; L57-W69 PolarHBondContact N-O 2.97Å; L57-W69 PolarHBondContact O-N 2.76Å; L57-V71 HydrophobicContact CB-CG2 4.03Å; L57-A331 HydrophobicContact CD1-CB 4.28Å; L57-A331 HydrophobicContact CD2-CB 4.44Å; L57-I353 HydrophobicContact CD2-CG2 4.04Å; L57-L355 HydrophobicContact CD2-CD2 4.17Å
58	I	98.8	Very high	97.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.5	170.4	-53	-59.4	0	0	0	109.2	L45 S46 V66 R67 C68 V92 W94 V101 W113	L45-I58 VanDerWaalsContact CA-O 3.31Å; L45-I58 WeakPolarHBondContact CA-O 3.2Å; S46-I58 PolarHBondContact N-O 3.41Å; S46-I58 PolarHBondContact O-N 3.02Å; I58-V66 HydrophobicContact CG2-CG1 3.34Å; I58-R67 WeakPolarHBondContact CA-O 3.5Å; I58-C68 HydrophobicContact CD1-CB 3.54Å; I58-V92 HydrophobicContact CB-CG2 4.17Å; I58-V92 HydrophobicContact CG2-CB 3.97Å; I58-V92 HydrophobicContact CG2-CG1 4Å; I58-V92 HydrophobicContact CG2-CG2 3.79Å; I58-W94 HydrophobicContact CD1-CH2 4.13Å; I58-W94 HydrophobicContact CD1-CZ2 3.54Å; I58-W94 VanDerWaalsContact CG1-CE2 3.48Å; I58-W94 HydrophobicContact CG1-CH2 4.34Å; I58-W94 HydrophobicContact CG1-CZ2 3.34Å; I58-V101 HydrophobicContact CD1-CG1 4.48Å; I58-V101 HydrophobicContact CD1-CG2 3.78Å; I58-V101 HydrophobicContact CG1-CG1 4.17Å; I58-V101 HydrophobicContact CG1-CG2 3.9Å; I58-V101 HydrophobicContact CG2-CG1 4.06Å; I58-W113 HydrophobicContact CD1-CZ3 4.2Å
59	A	98.9	Very high	97.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.1	168.1	0	0	0	0	0	110.7	I42 C44 L45 V66 R67 W69 I353	I42-A59 HydrophobicContact CG2-CB 4.3Å; C44-A59 WeakPolarHBondContact O-CA 3.39Å; L45-A59 HydrophobicContact CD2-CB 3.6Å; A59-V66 VanDerWaalsContact O-CA 3.31Å; A59-V66 WeakPolarHBondContact O-CA 3.46Å; A59-R67 PolarHBondContact N-O 3.39Å; A59-R67 PolarHBondContact O-N 2.93Å; A59-W69 HydrophobicContact CB-CH2 3.95Å; A59-W69 HydrophobicContact CB-CZ3 3.59Å; A59-I353 HydrophobicContact CB-CD1 3.76Å
60	G	98.8	Very high	97.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	138.8	170.2	0	0	0	0	0	111	G43 C44	G43-G60 PolarHBondContact N-O 2.84Å; C44-G60 PolarHBondContact O-N 3.31Å
61	S	98.8	Very high	97.9	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	168.4	-172.7	94.8	0	0	0	0	114.1	S41 A63 N64 D65 V89	S41-S61 CarbonylContact O-C 3.49Å; S41-S61 WeakPolarHBondContact O-CA 3.5Å; S61-A63 PolarHBondContact O-N 3.26Å; S61-A63 WeakPolarHBondContact OG-CA 3.32Å; S61-A63 WeakPolarHBondContact OG-CB 3.33Å; S61-A63 PolarHBondContact OG-N 2.65Å; S61-N64 PolarHBondContact O-N 3.38Å; S61-D65 WeakPolarHBondContact CB-OD1 3.48Å; S61-D65 PolarHBondContact N-O 3.36Å; S61-D65 PolarHBondContact OG-OD1 2.8Å; S61-V89 PolarHBondContact O-N 2.81Å
62	W	98.7	Very high	97.8	Very high	125 Å²	125	26.1 Å²	26.1	47%	0.473	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-7.9	169.9	-75.2	78	0	0	0	113.9	D40 S41 N64 P88 L90	D40-W62 HydrophobicContact CB-CB 4.29Å; D40-W62 WeakPolarHBondContact OD2-CB 3.28Å; S41-W62 VanDerWaalsContact O-CD1 3.27Å; S41-W62 PolarHBondContact O-N 3.42Å; W62-N64 PolarHBondContact O-N 3.11Å; W62-N64 PolarHBondContact O-OD1 3.49Å; W62-P88 HydrophobicContact CD2-CB 4.02Å; W62-P88 HydrophobicContact CD2-CG 4.28Å; W62-P88 HydrophobicContact CE3-CB 3.8Å; W62-P88 HydrophobicContact CE3-CG 3.6Å; W62-P88 HydrophobicContact CG-CB 4.38Å; W62-P88 HydrophobicContact CZ3-CB 4.33Å; W62-P88 HydrophobicContact CZ3-CG 4.09Å; W62-L90 HydrophobicContact CZ2-CD2 4.46Å
63	A	98.4	Very high	97.5	Very high	34 Å²	34	32.7 Å²	32.7	28%	0.281	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	15.7	168.9	0	0	0	0	0	113	D40 S61 D65	D40-A63 HydrophobicContact CB-CB 3.93Å; S61-A63 PolarHBondContact O-N 3.26Å; S61-A63 WeakPolarHBondContact OG-CA 3.32Å; S61-A63 WeakPolarHBondContact OG-CB 3.33Å; S61-A63 PolarHBondContact OG-N 2.65Å; A63-D65 PolarHBondContact O-N 3.09Å
64	N	98.5	Very high	97.2	Very high	47 Å²	47	31.9 Å²	31.9	25%	0.251	18%	0.176	S	C	.	.	S	Bend	trans	68.7	5.5	177.6	-47.2	-21.8	0	0	0	115.4	S61 W62 M84 H85 G87 P88	S61-N64 PolarHBondContact O-N 3.38Å; W62-N64 PolarHBondContact O-N 3.11Å; W62-N64 PolarHBondContact O-OD1 3.49Å; N64-M84 HydrophobicContact CB-CE 4.06Å; N64-H85 WeakPolarHBondContact CB-O 3.47Å; N64-H85 PolarHBondContact O-N 2.78Å; N64-G87 VanDerWaalsContact CG-C 3.45Å; N64-G87 WeakPolarHBondContact OD1-CA 3.5Å; N64-G87 PolarHBondContact OD1-O 3.44Å; N64-P88 VanDerWaalsContact OD1-CD 3.24Å; N64-P88 WeakPolarHBondContact OD1-CD 3.26Å
65	D	98.5	Very high	96.9	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	156.9	-175.2	75.4	-43	0	0	0	113.1	S61 A63 R67 Q82 Q83 M84	S61-D65 WeakPolarHBondContact CB-OD1 3.48Å; S61-D65 PolarHBondContact N-O 3.36Å; S61-D65 PolarHBondContact OG-OD1 2.8Å; A63-D65 PolarHBondContact O-N 3.09Å; D65-R67 WeakPolarHBondContact OD2-CG 3.3Å; D65-R67 IonicContact OD2-CZ 3.94Å; D65-R67 IonicContact OD2-NE 2.77Å; D65-R67 PolarHBondContact OD2-NE 2.96Å; D65-R67 IonicContact OD2-NH2 3.38Å; D65-R67 PolarHBondContact OD2-NH2 3.34Å; D65-Q82 HydrophobicContact CB-CG 4.41Å; D65-Q82 PolarHBondContact OD2-NE2 2.92Å; D65-Q83 WeakPolarHBondContact CA-O 3.18Å; D65-M84 HydrophobicContact CB-CE 4.19Å; D65-M84 HydrophobicContact CB-SD 3.41Å; D65-M84 WeakPolarHBondContact CB-SD 3.46Å
66	V	98.7	Very high	96.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.3	170.5	-173.6	0	0	0	0	108.3	I58 A59 Q82 Q83 V89 V92 T103 W113	I58-V66 HydrophobicContact CG2-CG1 3.34Å; A59-V66 VanDerWaalsContact O-CA 3.31Å; A59-V66 WeakPolarHBondContact O-CA 3.46Å; V66-Q82 CarbonylContact O-C 3.57Å; V66-Q82 VanDerWaalsContact O-CA 3.23Å; V66-Q82 WeakPolarHBondContact O-CA 3.44Å; V66-Q82 WeakPolarHBondContact O-CG 3.42Å; V66-Q83 PolarHBondContact N-O 2.87Å; V66-Q83 PolarHBondContact O-N 2.77Å; V66-V89 HydrophobicContact CG2-CB 4.08Å; V66-V89 HydrophobicContact CG2-CG1 3.71Å; V66-V89 HydrophobicContact CG2-CG2 3.63Å; V66-V92 HydrophobicContact CG1-CG1 4.1Å; V66-V92 HydrophobicContact CG2-CG1 4.46Å; V66-T103 HydrophobicContact CB-CG2 4.38Å; V66-T103 HydrophobicContact CG1-CG2 4.16Å; V66-T103 HydrophobicContact CG2-CG2 3.85Å; V66-W113 HydrophobicContact CG1-CZ3 4.12Å
67	R	98.6	Very high	96.7	Very high	34 Å²	34	35.3 Å²	35.3	13%	0.128	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.2	-178.7	-66.4	-174.8	-166.6	-169	2.4	110.8	S36 S37 D39 I58 A59 D65 W69 Q82	S36-R67 PolarHBondContact O-NH1 3.03Å; S37-R67 PolarHBondContact O-NH1 2.84Å; D39-R67 IonicContact OD2-NH2 3.22Å; D39-R67 PolarHBondContact OD2-NH2 3.11Å; I58-R67 WeakPolarHBondContact CA-O 3.5Å; A59-R67 PolarHBondContact N-O 3.39Å; A59-R67 PolarHBondContact O-N 2.93Å; D65-R67 WeakPolarHBondContact OD2-CG 3.3Å; D65-R67 IonicContact OD2-CZ 3.94Å; D65-R67 IonicContact OD2-NE 2.77Å; D65-R67 PolarHBondContact OD2-NE 2.96Å; D65-R67 IonicContact OD2-NH2 3.38Å; D65-R67 PolarHBondContact OD2-NH2 3.34Å; R67-W69 HydrophobicContact CB-CE3 4.23Å; R67-W69 HydrophobicContact CB-CH2 3.23Å; R67-W69 HydrophobicContact CB-CZ2 3.64Å; R67-W69 HydrophobicContact CB-CZ3 3.55Å; R67-W69 HydrophobicContact CG-CH2 4.13Å; R67-W69 HydrophobicContact CG-CZ2 4.3Å; R67-W69 WeakPolarHBondContact O-CZ3 3.41Å; R67-Q82 HydrophobicContact CG-CG 3.98Å
68	C	98.6	Very high	96.6	Very high	2 Å²	2	38 Å²	38	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.4	176.4	177.2	0	0	0	0	110.3	L57 I58 K80 A81 W113 L115	L57-C68 WeakPolarHBondContact O-CA 3.27Å; I58-C68 HydrophobicContact CD1-CB 3.54Å; C68-K80 PolarHBondContact O-N 3.39Å; C68-A81 PolarHBondContact N-O 2.9Å; C68-W113 HydrophobicContact CB-CH2 3.66Å; C68-W113 HydrophobicContact CB-CZ3 4.08Å; C68-L115 HydrophobicContact CB-CD2 4.47Å
69	W	98.5	Very high	96.5	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.3	173	-59.9	-99.3	0	0	0	110.8	V34 T35 P38 F56 L57 A59 R67 I78 I353	V34-W69 HydrophobicContact CG1-CD2 3.78Å; V34-W69 HydrophobicContact CG1-CE3 4.45Å; V34-W69 HydrophobicContact CG1-CG 3.86Å; V34-W69 HydrophobicContact CG1-CZ2 4.16Å; T35-W69 PolarHBondContact O-NE1 2.94Å; P38-W69 HydrophobicContact CG-CH2 4.3Å; F56-W69 CarbonylContact C-O 3.52Å; F56-W69 VanDerWaalsContact CA-O 3.23Å; F56-W69 WeakPolarHBondContact CA-O 3.24Å; L57-W69 PolarHBondContact N-O 2.97Å; L57-W69 PolarHBondContact O-N 2.76Å; A59-W69 HydrophobicContact CB-CH2 3.95Å; A59-W69 HydrophobicContact CB-CZ3 3.59Å; R67-W69 HydrophobicContact CB-CE3 4.23Å; R67-W69 HydrophobicContact CB-CH2 3.23Å; R67-W69 HydrophobicContact CB-CZ2 3.64Å; R67-W69 HydrophobicContact CB-CZ3 3.55Å; R67-W69 HydrophobicContact CG-CH2 4.13Å; R67-W69 HydrophobicContact CG-CZ2 4.3Å; R67-W69 WeakPolarHBondContact O-CZ3 3.41Å; W69-I78 CarbonylContact C-O 3.53Å; W69-I78 VanDerWaalsContact CA-O 3.3Å; W69-I78 WeakPolarHBondContact CA-O 3.28Å; W69-I353 HydrophobicContact CH2-CD1 3.94Å; W69-I353 HydrophobicContact CZ3-CD1 4.2Å
70	E	97.9	Very high	96.4	Very high	54 Å²	54	43.9 Å²	43.9	25%	0.252	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	129.8	159.4	-174.6	177.7	165.5	0	0	108.5	F56 T77 I78 K80	F56-E70 HydrophobicContact CD1-CB 3.98Å; F56-E70 HydrophobicContact CD1-CG 4.35Å; F56-E70 HydrophobicContact CE1-CB 3.65Å; F56-E70 HydrophobicContact CE1-CG 3.74Å; F56-E70 HydrophobicContact CZ-CG 4.12Å; E70-T77 WeakPolarHBondContact O-CA 3.46Å; E70-I78 HydrophobicContact CB-CB 4.39Å; E70-I78 PolarHBondContact N-O 2.81Å; E70-I78 PolarHBondContact O-N 2.84Å; E70-K80 HydrophobicContact CB-CD 3.83Å; E70-K80 HydrophobicContact CB-CG 3.94Å; E70-K80 IonicContact OE2-NZ 3.8Å; E70-K80 PolarHBondContact OE2-NZ 2.92Å
71	V	97.6	Very high	96.3	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.024	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	111.7	178	-177.6	0	0	0	0	108.3	F47 N55 L57 T77 I329 L355	F47-V71 HydrophobicContact CE1-CB 4.41Å; F47-V71 HydrophobicContact CE1-CG2 3.96Å; N55-V71 HydrophobicContact CB-CB 4.04Å; N55-V71 PolarHBondContact O-N 2.87Å; L57-V71 HydrophobicContact CB-CG2 4.03Å; V71-T77 HydrophobicContact CG1-CG2 4.44Å; V71-T77 HydrophobicContact CG2-CG2 4.07Å; V71-I329 HydrophobicContact CG1-CD1 3.95Å; V71-L355 HydrophobicContact CG1-CD1 3.59Å; V71-L355 HydrophobicContact CG2-CD1 4.13Å
72	Q	95.5	Very high	96.3	Very high	65 Å²	65	48.1 Å²	48.1	30%	0.304	25%	0.253	S	S	.	.			trans	-83.8	159.4	179.7	-61	-174	-25.6	0	0	111.4	S74 G75 Q76 I78	Q72-S74 PolarHBondContact O-N 2.84Å; Q72-S74 VanDerWaalsContact O-N 3.17Å; Q72-G75 WeakPolarHBondContact O-CA 3.46Å; Q72-G75 PolarHBondContact O-N 3.29Å; Q72-Q76 WeakPolarHBondContact CB-O 3.47Å; Q72-Q76 PolarHBondContact N-O 2.97Å; Q72-I78 HydrophobicContact CG-CD1 4.46Å
73	D	88.6	Confident	96.3	Very high	152 Å²	152	44.4 Å²	44.4	81%	0.813	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.2	177.9	-62.1	-33.5	0	0	0	113.1	G75	D73-G75 PolarHBondContact O-N 2.88Å
74	S	89.2	Confident	96.3	Very high	86 Å²	86	47.1 Å²	47.1	60%	0.601	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.9	171.6	61.1	0	0	0	0	113.3	Q72 Q76	Q72-S74 PolarHBondContact O-N 2.84Å; Q72-S74 VanDerWaalsContact O-N 3.17Å; S74-Q76 WeakPolarHBondContact OG-CB 3.29Å; S74-Q76 PolarHBondContact OG-N 2.98Å
75	G	88	Confident	96.3	Very high	9 Å²	9	45.4 Å²	45.4	9%	0.093	24%	0.239	C	C	.	.	S	Bend	trans	82.2	-7.3	-168.5	0	0	0	0	0	114.2	I32 Q72 D73 T77	I32-G75 VanDerWaalsContact CG2-O 3.31Å; I32-G75 WeakPolarHBondContact CG2-O 3.32Å; Q72-G75 WeakPolarHBondContact O-CA 3.46Å; Q72-G75 PolarHBondContact O-N 3.29Å; D73-G75 PolarHBondContact O-N 2.88Å; G75-T77 PolarHBondContact O-N 2.8Å
76	Q	93.4	Very high	96.3	Very high	117 Å²	117	51 Å²	51	55%	0.547	27%	0.274	S	S	.	.			trans	-60.7	136.3	172.5	-173.6	174.6	18	0	0	109.9	Q72 S74	Q72-Q76 WeakPolarHBondContact CB-O 3.47Å; Q72-Q76 PolarHBondContact N-O 2.97Å; S74-Q76 WeakPolarHBondContact OG-CB 3.29Å; S74-Q76 PolarHBondContact OG-N 2.98Å
77	T	97.3	Very high	96.3	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.043	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.9	176	53.4	0	0	0	0	110.5	V34 T35 E70 V71 G75 L355	V34-T77 WeakPolarHBondContact CA-OG1 3.22Å; V34-T77 HydrophobicContact CB-CG2 4.45Å; V34-T77 HydrophobicContact CG1-CG2 4.22Å; V34-T77 HydrophobicContact CG2-CG2 4.18Å; T35-T77 PolarHBondContact N-OG1 3.18Å; T35-T77 PolarHBondContact OG1-O 2.78Å; T35-T77 PolarHBondContact OG1-OG1 3.35Å; E70-T77 WeakPolarHBondContact O-CA 3.46Å; V71-T77 HydrophobicContact CG1-CG2 4.44Å; V71-T77 HydrophobicContact CG2-CG2 4.07Å; G75-T77 PolarHBondContact O-N 2.8Å; T77-L355 HydrophobicContact CG2-CD1 3.62Å
78	I	97.6	Very high	96.3	Very high	55 Å²	55	51 Å²	51	28%	0.282	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	114.9	-179.2	-59.5	173.5	0	0	0	107.7	W69 E70 Q72 K80	W69-I78 CarbonylContact C-O 3.53Å; W69-I78 VanDerWaalsContact CA-O 3.3Å; W69-I78 WeakPolarHBondContact CA-O 3.28Å; E70-I78 HydrophobicContact CB-CB 4.39Å; E70-I78 PolarHBondContact N-O 2.81Å; E70-I78 PolarHBondContact O-N 2.84Å; Q72-I78 HydrophobicContact CG-CD1 4.46Å; I78-K80 HydrophobicContact CB-CD 4.38Å; I78-K80 HydrophobicContact CG2-CD 3.95Å; I78-K80 WeakPolarHBondContact O-CG 3.28Å; I78-K80 PolarHBondContact O-N 2.99Å
79	P	97.4	Very high	96.3	Very high	72 Å²	72	50.9 Å²	50.9	47%	0.468	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	129.8	171.9	-22.2	33.1	0	0	0	110.7
80	K	96.5	Very high	96.3	Very high	52 Å²	52	51.4 Å²	51.4	23%	0.226	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-46.7	-175.2	-56	-59.4	-68.9	-150.7	0	113.3	F4 F56 C68 E70 I78	F4-K80 HydrophobicContact CD1-CB 3.92Å; F4-K80 HydrophobicContact CE1-CB 3.45Å; F4-K80 VanDerWaalsContact CE1-CB 3.45Å; F4-K80 HydrophobicContact CE1-CG 4.12Å; F4-K80 HydrophobicContact CE2-CB 4.34Å; F4-K80 HydrophobicContact CE2-CD 4.34Å; F4-K80 HydrophobicContact CE2-CG 4.15Å; F4-K80 HydrophobicContact CZ-CB 3.69Å; F4-K80 HydrophobicContact CZ-CD 4.48Å; F4-K80 HydrophobicContact CZ-CG 3.81Å; F56-K80 HydrophobicContact CE1-CG 4.48Å; C68-K80 PolarHBondContact O-N 3.39Å; E70-K80 HydrophobicContact CB-CD 3.83Å; E70-K80 HydrophobicContact CB-CG 3.94Å; E70-K80 IonicContact OE2-NZ 3.8Å; E70-K80 PolarHBondContact OE2-NZ 2.92Å; I78-K80 HydrophobicContact CB-CD 4.38Å; I78-K80 HydrophobicContact CG2-CD 3.95Å; I78-K80 WeakPolarHBondContact O-CG 3.28Å; I78-K80 PolarHBondContact O-N 2.99Å
81	A	97	Very high	96.4	Very high	16 Å²	16	50.3 Å²	50.3	13%	0.132	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	163.8	-174.8	0	0	0	0	0	111.4	C68 W113	C68-A81 PolarHBondContact N-O 2.9Å; A81-W113 HydrophobicContact CB-CH2 3.96Å; A81-W113 HydrophobicContact CB-CZ2 3.45Å; A81-W113 VanDerWaalsContact CB-CZ2 3.45Å
82	Q	97.8	Very high	96.4	Very high	74 Å²	74	50.3 Å²	50.3	35%	0.346	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	148.2	179.7	-172.7	-179.4	12	0	0	110.3	D65 V66 R67	D65-Q82 HydrophobicContact CB-CG 4.41Å; D65-Q82 PolarHBondContact OD2-NE2 2.92Å; V66-Q82 CarbonylContact O-C 3.57Å; V66-Q82 VanDerWaalsContact O-CA 3.23Å; V66-Q82 WeakPolarHBondContact O-CA 3.44Å; V66-Q82 WeakPolarHBondContact O-CG 3.42Å; R67-Q82 HydrophobicContact CG-CG 3.98Å
83	Q	98.2	Very high	96.6	Very high	46 Å²	46	48 Å²	48	22%	0.215	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	161.1	173.2	-88	-67.3	-10.7	0	0	111.2	D65 V66 W113 N118 A120	D65-Q83 WeakPolarHBondContact CA-O 3.18Å; V66-Q83 PolarHBondContact N-O 2.87Å; V66-Q83 PolarHBondContact O-N 2.77Å; Q83-W113 HydrophobicContact CB-CD2 4.31Å; Q83-W113 HydrophobicContact CG-CD2 3.8Å; Q83-W113 HydrophobicContact CG-CG 3.84Å; Q83-W113 HydrophobicContact CG-CZ2 4.06Å; Q83-N118 PolarHBondContact NE2-O 3.06Å; Q83-A120 HydrophobicContact CG-CB 4Å
84	M	98.5	Very high	97.1	Very high	92 Å²	92	41.5 Å²	41.5	45%	0.453	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	142.1	-176.1	-67.1	-59.4	-61.5	0	0	112.9	N64 D65 K111	N64-M84 HydrophobicContact CB-CE 4.06Å; D65-M84 HydrophobicContact CB-CE 4.19Å; D65-M84 HydrophobicContact CB-SD 3.41Å; D65-M84 WeakPolarHBondContact CB-SD 3.46Å; M84-K111 PolarHBondContact O-NZ 3.31Å
85	H	98.7	Very high	97.5	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.046	21%	0.205	C	C	.	.			trans	-106.4	170.9	161	-85.6	-90.9	0	0	0	110.6	N64 G87 V89 T103 S105 D107	N64-H85 WeakPolarHBondContact CB-O 3.47Å; N64-H85 PolarHBondContact O-N 2.78Å; H85-G87 VanDerWaalsContact C-N 3.32Å; H85-G87 WeakPolarHBondContact CB-O 3.27Å; H85-V89 HydrophobicContact CB-CG2 4.12Å; H85-T103 WeakPolarHBondContact NE2-CB 3.48Å; H85-T103 PolarHBondContact NE2-OG1 2.87Å; H85-S105 WeakPolarHBondContact ND1-CB 3.5Å; H85-D107 WeakPolarHBondContact CB-OD2 3.46Å; H85-D107 IonicContact CE1-OD2 3.95Å; H85-D107 IonicContact CG-OD2 2.67Å; H85-D107 IonicContact ND1-OD1 2.7Å; H85-D107 PolarHBondContact ND1-OD1 3.45Å; H85-D107 IonicContact ND1-OD2 3.24Å; H85-D107 PolarHBondContact ND1-OD2 3.22Å
86	T	98.6	Very high	98	Very high	123 Å²	123	39.7 Å²	39.7	76%	0.755	21%	0.214	S	C	*	.	S	Bend	trans	-94.4	7.7	173	58.5	0	0	0	0	112.8	D107	T86-D107 PolarHBondContact N-OD2 3.18Å; T86-D107 VanDerWaalsContact N-OD2 3.15Å; T86-D107 WeakPolarHBondContact OG1-CB 3.41Å; T86-D107 PolarHBondContact OG1-OD2 2.95Å
87	G	98.6	Very high	98.2	Very high	8 Å²	8	38.1 Å²	38.1	8%	0.082	21%	0.209	C	C	.	.	S	Bend	trans	-158.3	173.6	172.1	0	0	0	0	0	111.9	N64 H85 S105	N64-G87 VanDerWaalsContact CG-C 3.45Å; N64-G87 WeakPolarHBondContact OD1-CA 3.5Å; N64-G87 PolarHBondContact OD1-O 3.44Å; H85-G87 VanDerWaalsContact C-N 3.32Å; H85-G87 WeakPolarHBondContact CB-O 3.27Å; G87-S105 PolarHBondContact O-OG 2.83Å
88	P	98.8	Very high	98.2	Very high	25 Å²	25	37.8 Å²	37.8	16%	0.162	21%	0.207	C	C	.	.			trans	-51.3	138.9	-175.4	-34.1	37	0	0	0	113.9	W62 N64 L90 S105 C106	W62-P88 HydrophobicContact CD2-CB 4.02Å; W62-P88 HydrophobicContact CD2-CG 4.28Å; W62-P88 HydrophobicContact CE3-CB 3.8Å; W62-P88 HydrophobicContact CE3-CG 3.6Å; W62-P88 HydrophobicContact CG-CB 4.38Å; W62-P88 HydrophobicContact CZ3-CB 4.33Å; W62-P88 HydrophobicContact CZ3-CG 4.09Å; N64-P88 VanDerWaalsContact OD1-CD 3.24Å; N64-P88 WeakPolarHBondContact OD1-CD 3.26Å; P88-L90 HydrophobicContact CB-CD2 4.47Å; P88-S105 CarbonylContact O-C 3.59Å; P88-S105 VanDerWaalsContact O-CA 3.29Å; P88-S105 WeakPolarHBondContact O-CA 3.42Å; P88-S105 PolarHBondContact O-OG 2.61Å; P88-C106 HydrophobicContact CB-CB 4.26Å; P88-C106 HydrophobicContact CG-CB 4.39Å; P88-C106 PolarHBondContact O-N 2.75Å
89	V	98.9	Very high	98.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.8	177	-177.9	0	0	0	0	109.1	S61 V66 H85 V92 A104	S61-V89 PolarHBondContact O-N 2.81Å; V66-V89 HydrophobicContact CG2-CB 4.08Å; V66-V89 HydrophobicContact CG2-CG1 3.71Å; V66-V89 HydrophobicContact CG2-CG2 3.63Å; H85-V89 HydrophobicContact CB-CG2 4.12Å; V89-V92 HydrophobicContact CG1-CG1 4.01Å; V89-A104 WeakPolarHBondContact CG1-O 3.49Å
90	L	98.9	Very high	98.2	Very high	13 Å²	13	35.5 Å²	35.5	7%	0.068	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-25.7	-171.1	-59.8	-173.7	0	0	0	113.7	W62 P88 A104 P129 K131 W149	W62-L90 HydrophobicContact CZ2-CD2 4.46Å; P88-L90 HydrophobicContact CB-CD2 4.47Å; L90-A104 PolarHBondContact N-O 3.15Å; L90-P129 HydrophobicContact CD1-CB 4.29Å; L90-K131 HydrophobicContact CB-CD 4.35Å; L90-K131 HydrophobicContact CD1-CD 4Å; L90-W149 HydrophobicContact CD1-CH2 4.42Å; L90-W149 HydrophobicContact CD1-CZ2 4.39Å
91	D	98.9	Very high	98.3	Very high	30 Å²	30	33 Å²	33	16%	0.16	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	153.2	-179.3	-158.8	14.2	0	0	0	112	C44 A104 T132 I133 H134	C44-D91 VanDerWaalsContact SG-CA 3.54Å; D91-A104 HydrophobicContact CB-CB 4.3Å; D91-A104 PolarHBondContact N-O 2.84Å; D91-A104 PolarHBondContact O-N 3.42Å; D91-T132 VanDerWaalsContact OD2-CA 3.22Å; D91-T132 WeakPolarHBondContact OD2-CA 3.35Å; D91-I133 HydrophobicContact CB-CG2 3.98Å; D91-I133 PolarHBondContact OD2-N 2.83Å; D91-H134 IonicContact OD2-CE1 3.95Å
92	V	98.9	Very high	98.4	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.03	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	143.3	178.3	-63.4	0	0	0	0	110.7	C44 I58 V66 V89 F102 T103	C44-V92 HydrophobicContact CB-CG2 4.27Å; I58-V92 HydrophobicContact CB-CG2 4.17Å; I58-V92 HydrophobicContact CG2-CB 3.97Å; I58-V92 HydrophobicContact CG2-CG1 4Å; I58-V92 HydrophobicContact CG2-CG2 3.79Å; V66-V92 HydrophobicContact CG1-CG1 4.1Å; V66-V92 HydrophobicContact CG2-CG1 4.46Å; V89-V92 HydrophobicContact CG1-CG1 4.01Å; V92-F102 CarbonylContact C-O 3.5Å; V92-F102 VanDerWaalsContact CA-O 3.25Å; V92-F102 WeakPolarHBondContact CA-O 3.49Å; V92-T103 HydrophobicContact CG1-CG2 4.09Å
93	C	98.8	Very high	98.4	Very high	15 Å²	15	29 Å²	29	10%	0.101	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	170.7	169.7	68.2	0	0	0	0	112.1	V101 F102 I133	C93-V101 CarbonylContact O-C 3.51Å; C93-V101 WeakPolarHBondContact O-CA 3.48Å; C93-F102 PolarHBondContact N-O 2.85Å; C93-F102 PolarHBondContact O-N 2.94Å; C93-I133 WeakPolarHBondContact CB-O 3.46Å; C93-I133 PolarHBondContact SG-O 2.93Å
94	W	98.8	Very high	98.5	Very high	17 Å²	17	26.9 Å²	26.9	6%	0.064	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	152.4	-179.8	-70.6	86.2	0	0	0	111.9	S46 F47 L52 F56 I58 G98 K100 V101 L115 W135	S46-W94 PolarHBondContact O-NE1 2.78Å; F47-W94 VanDerWaalsContact C-NE1 3.35Å; F47-W94 PolarHBondContact O-NE1 3Å; L52-W94 HydrophobicContact CD1-CE3 4.26Å; L52-W94 HydrophobicContact CD1-CH2 4.17Å; L52-W94 HydrophobicContact CD1-CZ3 3.63Å; F56-W94 HydrophobicContact CB-CH2 3.66Å; F56-W94 HydrophobicContact CB-CZ2 3.75Å; F56-W94 HydrophobicContact CG-CH2 4.44Å; I58-W94 HydrophobicContact CD1-CH2 4.13Å; I58-W94 HydrophobicContact CD1-CZ2 3.54Å; I58-W94 VanDerWaalsContact CG1-CE2 3.48Å; I58-W94 HydrophobicContact CG1-CH2 4.34Å; I58-W94 HydrophobicContact CG1-CZ2 3.34Å; W94-G98 WeakPolarHBondContact CZ3-O 3.23Å; W94-K100 WeakPolarHBondContact CA-O 3.41Å; W94-V101 HydrophobicContact CD2-CG2 3.91Å; W94-V101 HydrophobicContact CE3-CG2 3.8Å; W94-V101 HydrophobicContact CH2-CG2 4.01Å; W94-V101 HydrophobicContact CZ2-CG2 4.1Å; W94-V101 HydrophobicContact CZ3-CG2 3.87Å; W94-L115 HydrophobicContact CE3-CD1 4.28Å; W94-L115 HydrophobicContact CH2-CD1 3.4Å; W94-L115 HydrophobicContact CZ3-CD1 3.2Å; W94-W135 VanDerWaalsContact O-CB 3.27Å; W94-W135 WeakPolarHBondContact O-CB 3.27Å
95	S	98.4	Very high	98.5	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.021	13%	0.128	C	C	.	.			trans	-66.2	158.8	159.9	60.5	0	0	0	0	111.3	P49 D97 G98 S99 K100	P49-S95 WeakPolarHBondContact CG-O 3.09Å; S95-D97 VanDerWaalsContact C-N 3.29Å; S95-D97 PolarHBondContact O-N 2.95Å; S95-D97 PolarHBondContact OG-OD1 3.37Å; S95-G98 PolarHBondContact O-N 2.96Å; S95-G98 VanDerWaalsContact O-N 3.09Å; S95-G98 PolarHBondContact OG-N 2.94Å; S95-S99 PolarHBondContact OG-N 2.92Å; S95-K100 PolarHBondContact N-O 2.7Å; S95-K100 PolarHBondContact OG-N 3.33Å; S95-K100 PolarHBondContact OG-O 2.98Å
96	D	98	Very high	98.5	Very high	54 Å²	54	23.5 Å²	23.5	29%	0.289	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-31.7	179.2	64	-65.9	0	0	0	113	T51 G98 W135 K137	T51-D96 VanDerWaalsContact CG2-O 3.32Å; T51-D96 WeakPolarHBondContact CG2-O 3.09Å; T51-D96 PolarHBondContact OG1-O 3.23Å; D96-G98 VanDerWaalsContact C-N 3.29Å; D96-W135 VanDerWaalsContact N-CD1 3.26Å; D96-W135 VanDerWaalsContact N-NE1 3.17Å; D96-W135 VanDerWaalsContact OD1-CE2 3.32Å; D96-W135 WeakPolarHBondContact OD1-CZ2 3.41Å; D96-W135 PolarHBondContact OD1-NE1 2.84Å; D96-K137 HydrophobicContact CB-CB 4.23Å; D96-K137 HydrophobicContact CB-CG 4.12Å; D96-K137 IonicContact OD1-NZ 3.43Å; D96-K137 WeakPolarHBondContact OD2-CE 3.3Å; D96-K137 IonicContact OD2-NZ 3.78Å
97	D	97	Very high	98.5	Very high	84 Å²	84	19 Å²	19	45%	0.449	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-7.4	174.5	62.6	30.9	0	0	0	113.8	S95 S99	S95-D97 VanDerWaalsContact C-N 3.29Å; S95-D97 PolarHBondContact O-N 2.95Å; S95-D97 PolarHBondContact OG-OD1 3.37Å; D97-S99 PolarHBondContact O-N 2.74Å; D97-S99 VanDerWaalsContact OD1-CB 3.27Å; D97-S99 WeakPolarHBondContact OD1-CB 3.47Å; D97-S99 PolarHBondContact OD1-N 3.24Å; D97-S99 PolarHBondContact OD1-OG 2.96Å
98	G	97.4	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	66.2	7	-177.6	0	0	0	0	0	116.1	L52 W94 S95 D96 K100	L52-G98 VanDerWaalsContact CD1-O 3.26Å; L52-G98 WeakPolarHBondContact CD1-O 3.34Å; W94-G98 WeakPolarHBondContact CZ3-O 3.23Å; S95-G98 PolarHBondContact O-N 2.96Å; S95-G98 VanDerWaalsContact O-N 3.09Å; S95-G98 PolarHBondContact OG-N 2.94Å; D96-G98 VanDerWaalsContact C-N 3.29Å; G98-K100 VanDerWaalsContact C-N 3.3Å; G98-K100 PolarHBondContact O-N 2.89Å
99	S	96.9	Very high	98.5	Very high	34 Å²	34	22.5 Å²	22.5	24%	0.238	12%	0.119	C	C	.	.	S	Bend	trans	-75	-19.4	177.2	72.9	0	0	0	0	113.6	S95 D97 L115	S95-S99 PolarHBondContact OG-N 2.92Å; D97-S99 PolarHBondContact O-N 2.74Å; D97-S99 VanDerWaalsContact OD1-CB 3.27Å; D97-S99 WeakPolarHBondContact OD1-CB 3.47Å; D97-S99 PolarHBondContact OD1-N 3.24Å; D97-S99 PolarHBondContact OD1-OG 2.96Å; S99-L115 PolarHBondContact O-N 3.17Å
100	K	98.2	Very high	98.5	Very high	45 Å²	45	22.5 Å²	22.5	20%	0.196	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	146.1	-175.8	-52.3	-63.6	174.6	-79.5	0	112.1	W94 S95 G98 F102 M112 W113 D114	W94-K100 WeakPolarHBondContact CA-O 3.41Å; S95-K100 PolarHBondContact N-O 2.7Å; S95-K100 PolarHBondContact OG-N 3.33Å; S95-K100 PolarHBondContact OG-O 2.98Å; G98-K100 VanDerWaalsContact C-N 3.3Å; G98-K100 PolarHBondContact O-N 2.89Å; K100-F102 HydrophobicContact CB-CZ 4.2Å; K100-M112 HydrophobicContact CB-CG 4.1Å; K100-M112 HydrophobicContact CD-CG 3.94Å; K100-M112 HydrophobicContact CD-SD 4Å; K100-M112 HydrophobicContact CG-CG 4.08Å; K100-M112 HydrophobicContact CG-SD 3.98Å; K100-W113 VanDerWaalsContact CA-O 3.3Å; K100-W113 WeakPolarHBondContact CA-O 3.29Å; K100-D114 HydrophobicContact CD-CB 3.92Å; K100-D114 WeakPolarHBondContact CE-OD2 3.49Å; K100-D114 IonicContact NZ-OD2 3.65Å; K100-D114 PolarHBondContact NZ-OD2 2.85Å
101	V	98.8	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.1	164.2	175.8	0	0	0	0	108.1	I58 C93 W94 T103 W113 L115	I58-V101 HydrophobicContact CD1-CG1 4.48Å; I58-V101 HydrophobicContact CD1-CG2 3.78Å; I58-V101 HydrophobicContact CG1-CG1 4.17Å; I58-V101 HydrophobicContact CG1-CG2 3.9Å; I58-V101 HydrophobicContact CG2-CG1 4.06Å; C93-V101 CarbonylContact O-C 3.51Å; C93-V101 WeakPolarHBondContact O-CA 3.48Å; W94-V101 HydrophobicContact CD2-CG2 3.91Å; W94-V101 HydrophobicContact CE3-CG2 3.8Å; W94-V101 HydrophobicContact CH2-CG2 4.01Å; W94-V101 HydrophobicContact CZ2-CG2 4.1Å; W94-V101 HydrophobicContact CZ3-CG2 3.87Å; V101-T103 HydrophobicContact CG1-CG2 4.07Å; V101-W113 HydrophobicContact CB-CB 4.3Å; V101-W113 HydrophobicContact CB-CD2 4.49Å; V101-W113 HydrophobicContact CB-CE3 3.82Å; V101-W113 HydrophobicContact CG1-CE3 4Å; V101-W113 HydrophobicContact CG2-CE3 4.18Å; V101-W113 PolarHBondContact N-O 2.84Å; V101-W113 WeakPolarHBondContact O-CB 3.25Å; V101-W113 PolarHBondContact O-N 3.22Å; V101-L115 HydrophobicContact CG2-CD1 3.9Å; V101-L115 HydrophobicContact CG2-CD2 4.37Å; V101-L115 HydrophobicContact CG2-CG 4.19Å
102	F	98.9	Very high	98.5	Very high	2 Å²	2	24 Å²	24	1%	0.009	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.7	173.4	-54.3	-74.8	0	0	0	109.6	V92 C93 K100 K111 M112 I123 I133 W135 V144 T158	V92-F102 CarbonylContact C-O 3.5Å; V92-F102 VanDerWaalsContact CA-O 3.25Å; V92-F102 WeakPolarHBondContact CA-O 3.49Å; C93-F102 PolarHBondContact N-O 2.85Å; C93-F102 PolarHBondContact O-N 2.94Å; K100-F102 HydrophobicContact CB-CZ 4.2Å; F102-K111 WeakPolarHBondContact CA-O 3.23Å; F102-M112 HydrophobicContact CD1-CB 3.87Å; F102-M112 HydrophobicContact CD1-CG 3.95Å; F102-M112 HydrophobicContact CE1-CB 3.87Å; F102-M112 HydrophobicContact CE1-CG 3.55Å; F102-M112 HydrophobicContact CE1-SD 3.78Å; F102-M112 HydrophobicContact CZ-CG 4.48Å; F102-M112 HydrophobicContact CZ-SD 4.44Å; F102-I123 HydrophobicContact CD1-CD1 3.68Å; F102-I123 HydrophobicContact CE1-CD1 4.06Å; F102-I133 HydrophobicContact CB-CD1 3.62Å; F102-I133 HydrophobicContact CB-CG1 4.03Å; F102-W135 HydrophobicContact CE2-CB 4.25Å; F102-W135 HydrophobicContact CE2-CD2 4.09Å; F102-W135 AromaticContact CE2-CE3 3.69Å; F102-W135 HydrophobicContact CE2-CE3 3.69Å; F102-W135 HydrophobicContact CE2-CG 4.35Å; F102-W135 HydrophobicContact CE2-CZ3 4.34Å; F102-W135 AromaticContact CZ-CE3 3.8Å; F102-W135 HydrophobicContact CZ-CE3 3.8Å; F102-W135 AromaticContact CZ-CZ3 3.98Å; F102-W135 HydrophobicContact CZ-CZ3 3.98Å; F102-V144 HydrophobicContact CD1-CG2 3.66Å; F102-V144 HydrophobicContact CD2-CG2 4.18Å; F102-V144 HydrophobicContact CE1-CG2 3.52Å; F102-V144 HydrophobicContact CE2-CG2 4.05Å; F102-V144 HydrophobicContact CG-CG2 3.98Å; F102-V144 HydrophobicContact CZ-CG2 3.73Å; F102-T158 HydrophobicContact CE1-CG2 3.9Å; F102-T158 HydrophobicContact CZ-CG2 4.36Å
103	T	98.9	Very high	98.5	Very high	4 Å²	4	23.8 Å²	23.8	3%	0.025	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	134.9	-173.5	60.5	0	0	0	0	110.4	V66 H85 V92 V101 A110 K111	V66-T103 HydrophobicContact CB-CG2 4.38Å; V66-T103 HydrophobicContact CG1-CG2 4.16Å; V66-T103 HydrophobicContact CG2-CG2 3.85Å; H85-T103 WeakPolarHBondContact NE2-CB 3.48Å; H85-T103 PolarHBondContact NE2-OG1 2.87Å; V92-T103 HydrophobicContact CG1-CG2 4.09Å; V101-T103 HydrophobicContact CG1-CG2 4.07Å; T103-A110 CarbonylContact O-C 3.59Å; T103-A110 WeakPolarHBondContact O-CA 3.42Å; T103-A110 WeakPolarHBondContact O-CB 3.37Å; T103-K111 PolarHBondContact N-O 2.96Å; T103-K111 PolarHBondContact O-N 3.12Å
104	A	98.9	Very high	98.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135	178.7	0	0	0	0	0	111.5	V89 L90 D91 V130 I133	V89-A104 WeakPolarHBondContact CG1-O 3.49Å; L90-A104 PolarHBondContact N-O 3.15Å; D91-A104 HydrophobicContact CB-CB 4.3Å; D91-A104 PolarHBondContact N-O 2.84Å; D91-A104 PolarHBondContact O-N 3.42Å; A104-V130 HydrophobicContact CB-CB 3.87Å; A104-V130 HydrophobicContact CB-CG1 3.6Å; A104-I133 HydrophobicContact CB-CB 3.82Å; A104-I133 HydrophobicContact CB-CD1 4.27Å; A104-I133 HydrophobicContact CB-CG2 3.84Å
105	S	98.9	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	158.7	-169.7	174.5	0	0	0	0	114.4	H85 G87 P88 D107 K108 T109 V130	H85-S105 WeakPolarHBondContact ND1-CB 3.5Å; G87-S105 PolarHBondContact O-OG 2.83Å; P88-S105 CarbonylContact O-C 3.59Å; P88-S105 VanDerWaalsContact O-CA 3.29Å; P88-S105 WeakPolarHBondContact O-CA 3.42Å; P88-S105 PolarHBondContact O-OG 2.61Å; S105-D107 WeakPolarHBondContact CB-OD1 3.25Å; S105-D107 PolarHBondContact O-N 3.46Å; S105-D107 VanDerWaalsContact OG-CG 3.31Å; S105-D107 PolarHBondContact OG-N 3.46Å; S105-D107 PolarHBondContact OG-OD1 2.92Å; S105-K108 PolarHBondContact O-N 3.28Å; S105-T109 PolarHBondContact N-O 3.47Å; S105-V130 PolarHBondContact O-N 3.02Å
106	C	98.9	Very high	98	Very high	31 Å²	31	26.7 Å²	26.7	21%	0.209	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.1	164.8	-78.9	0	0	0	0	114.1	P88 K108 P129	P88-C106 HydrophobicContact CB-CB 4.26Å; P88-C106 HydrophobicContact CG-CB 4.39Å; P88-C106 PolarHBondContact O-N 2.75Å; C106-K108 PolarHBondContact O-N 2.77Å; C106-K108 VanDerWaalsContact O-N 3.08Å; C106-P129 HydrophobicContact CB-CG 4.47Å
107	D	98.7	Very high	98	Very high	30 Å²	30	26.9 Å²	26.9	16%	0.16	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	4.2	172.4	71.3	16.4	0	0	0	114	H85 T86 S105 T109	H85-D107 WeakPolarHBondContact CB-OD2 3.46Å; H85-D107 IonicContact CE1-OD2 3.95Å; H85-D107 IonicContact CG-OD2 2.67Å; H85-D107 IonicContact ND1-OD1 2.7Å; H85-D107 PolarHBondContact ND1-OD1 3.45Å; H85-D107 IonicContact ND1-OD2 3.24Å; H85-D107 PolarHBondContact ND1-OD2 3.22Å; T86-D107 PolarHBondContact N-OD2 3.18Å; T86-D107 VanDerWaalsContact N-OD2 3.15Å; T86-D107 WeakPolarHBondContact OG1-CB 3.41Å; T86-D107 PolarHBondContact OG1-OD2 2.95Å; S105-D107 WeakPolarHBondContact CB-OD1 3.25Å; S105-D107 PolarHBondContact O-N 3.46Å; S105-D107 VanDerWaalsContact OG-CG 3.31Å; S105-D107 PolarHBondContact OG-N 3.46Å; S105-D107 PolarHBondContact OG-OD1 2.92Å; D107-T109 PolarHBondContact O-N 2.99Å; D107-T109 WeakPolarHBondContact OD1-CA 3.45Å; D107-T109 WeakPolarHBondContact OD1-CB 3.14Å; D107-T109 PolarHBondContact OD1-N 3.33Å; D107-T109 PolarHBondContact OD1-OG1 2.63Å; D107-T109 PolarHBondContact OD2-OG1 3.39Å
108	K	98.9	Very high	97.9	Very high	92 Å²	92	25.1 Å²	25.1	40%	0.4	14%	0.14	S	C	.	.	S	Bend	trans	71.5	8.2	177.4	-41.3	174	-176.8	-174.7	0	113.9	S105 C106 Q125 H126 D127	S105-K108 PolarHBondContact O-N 3.28Å; C106-K108 PolarHBondContact O-N 2.77Å; C106-K108 VanDerWaalsContact O-N 3.08Å; K108-Q125 PolarHBondContact O-NE2 3.22Å; K108-H126 WeakPolarHBondContact CB-O 3.33Å; K108-H126 PolarHBondContact O-N 3.27Å; K108-D127 PolarHBondContact NZ-O 3.08Å
109	T	98.8	Very high	98	Very high	13 Å²	13	31.5 Å²	31.5	8%	0.08	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	160.3	176.5	77	0	0	0	0	111.1	S105 D107 Q122 A124	S105-T109 PolarHBondContact N-O 3.47Å; D107-T109 PolarHBondContact O-N 2.99Å; D107-T109 WeakPolarHBondContact OD1-CA 3.45Å; D107-T109 WeakPolarHBondContact OD1-CB 3.14Å; D107-T109 PolarHBondContact OD1-N 3.33Å; D107-T109 PolarHBondContact OD1-OG1 2.63Å; D107-T109 PolarHBondContact OD2-OG1 3.39Å; T109-Q122 HydrophobicContact CG2-CG 4.43Å; T109-A124 WeakPolarHBondContact CA-O 3.42Å
110	A	98.9	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.8	155.8	0	0	0	0	0	110.3	T103 I123 A124 I133 T146	T103-A110 CarbonylContact O-C 3.59Å; T103-A110 WeakPolarHBondContact O-CA 3.42Å; T103-A110 WeakPolarHBondContact O-CB 3.37Å; A110-I123 HydrophobicContact CB-CG1 4.48Å; A110-I123 WeakPolarHBondContact O-CG1 3.32Å; A110-I123 PolarHBondContact O-N 2.85Å; A110-A124 HydrophobicContact CB-CB 3.69Å; A110-A124 PolarHBondContact N-O 3.28Å; A110-A124 PolarHBondContact O-N 2.96Å; A110-I133 HydrophobicContact CB-CD1 3.57Å; A110-T146 HydrophobicContact CB-CG2 4.15Å
111	K	98.7	Very high	98	Very high	46 Å²	46	33.7 Å²	33.7	20%	0.2	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	149.4	177.9	-62.7	177.9	-177.6	-178.4	0	111.1	M84 F102 T103 A120 I121	M84-K111 PolarHBondContact O-NZ 3.31Å; F102-K111 WeakPolarHBondContact CA-O 3.23Å; T103-K111 PolarHBondContact N-O 2.96Å; T103-K111 PolarHBondContact O-N 3.12Å; K111-A120 HydrophobicContact CD-CB 4.49Å; K111-I121 CarbonylContact C-O 3.46Å; K111-I121 WeakPolarHBondContact CA-O 3.06Å; K111-I121 WeakPolarHBondContact CB-O 3.46Å
112	M	98.6	Very high	98	Very high	28 Å²	28	38.7 Å²	38.7	14%	0.138	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.8	164.7	177.7	177.1	65.6	0	0	108	K100 F102 A120 I121 I123 T158	K100-M112 HydrophobicContact CB-CG 4.1Å; K100-M112 HydrophobicContact CD-CG 3.94Å; K100-M112 HydrophobicContact CD-SD 4Å; K100-M112 HydrophobicContact CG-CG 4.08Å; K100-M112 HydrophobicContact CG-SD 3.98Å; F102-M112 HydrophobicContact CD1-CB 3.87Å; F102-M112 HydrophobicContact CD1-CG 3.95Å; F102-M112 HydrophobicContact CE1-CB 3.87Å; F102-M112 HydrophobicContact CE1-CG 3.55Å; F102-M112 HydrophobicContact CE1-SD 3.78Å; F102-M112 HydrophobicContact CZ-CG 4.48Å; F102-M112 HydrophobicContact CZ-SD 4.44Å; M112-A120 VanDerWaalsContact O-CA 3.29Å; M112-A120 WeakPolarHBondContact O-CA 3.34Å; M112-I121 HydrophobicContact CB-CG1 4.49Å; M112-I121 HydrophobicContact CE-CD1 3.84Å; M112-I121 HydrophobicContact CE-CG1 4.09Å; M112-I121 PolarHBondContact N-O 3.27Å; M112-I121 PolarHBondContact O-N 2.84Å; M112-I123 HydrophobicContact CB-CD1 4.13Å; M112-I123 HydrophobicContact CB-CG1 4.32Å; M112-I123 HydrophobicContact CB-CG2 3.61Å; M112-I123 HydrophobicContact CE-CG2 4.45Å; M112-T158 HydrophobicContact SD-CG2 4.3Å
113	W	98.5	Very high	98	Very high	1 Å²	1	39 Å²	39	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	114.3	-179.6	177.9	25	0	0	0	110	I58 V66 C68 A81 Q83 K100 V101 L115 N118 A120	I58-W113 HydrophobicContact CD1-CZ3 4.2Å; V66-W113 HydrophobicContact CG1-CZ3 4.12Å; C68-W113 HydrophobicContact CB-CH2 3.66Å; C68-W113 HydrophobicContact CB-CZ3 4.08Å; A81-W113 HydrophobicContact CB-CH2 3.96Å; A81-W113 HydrophobicContact CB-CZ2 3.45Å; A81-W113 VanDerWaalsContact CB-CZ2 3.45Å; Q83-W113 HydrophobicContact CB-CD2 4.31Å; Q83-W113 HydrophobicContact CG-CD2 3.8Å; Q83-W113 HydrophobicContact CG-CG 3.84Å; Q83-W113 HydrophobicContact CG-CZ2 4.06Å; K100-W113 VanDerWaalsContact CA-O 3.3Å; K100-W113 WeakPolarHBondContact CA-O 3.29Å; V101-W113 HydrophobicContact CB-CB 4.3Å; V101-W113 HydrophobicContact CB-CD2 4.49Å; V101-W113 HydrophobicContact CB-CE3 3.82Å; V101-W113 HydrophobicContact CG1-CE3 4Å; V101-W113 HydrophobicContact CG2-CE3 4.18Å; V101-W113 PolarHBondContact N-O 2.84Å; V101-W113 WeakPolarHBondContact O-CB 3.25Å; V101-W113 PolarHBondContact O-N 3.22Å; W113-L115 HydrophobicContact CD2-CD2 3.98Å; W113-L115 HydrophobicContact CE3-CD2 4.1Å; W113-L115 HydrophobicContact CH2-CD2 3.9Å; W113-L115 HydrophobicContact CZ2-CD2 3.77Å; W113-L115 HydrophobicContact CZ3-CD2 4.04Å; W113-N118 WeakPolarHBondContact CZ2-OD1 3.22Å; W113-N118 PolarHBondContact NE1-OD1 2.84Å; W113-A120 HydrophobicContact CB-CB 4.18Å; W113-A120 HydrophobicContact CG-CB 4.47Å
114	D	97.7	Very high	98	Very high	29 Å²	29	38.9 Å²	38.9	16%	0.155	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	113.7	169.7	-177.7	-90.3	0	0	0	110.2	K100 S116 S117 N118 Q119	K100-D114 HydrophobicContact CD-CB 3.92Å; K100-D114 WeakPolarHBondContact CE-OD2 3.49Å; K100-D114 IonicContact NZ-OD2 3.65Å; K100-D114 PolarHBondContact NZ-OD2 2.85Å; D114-S116 VanDerWaalsContact C-N 3.31Å; D114-S116 PolarHBondContact O-N 2.83Å; D114-S116 PolarHBondContact OD1-N 3.04Å; D114-S116 PolarHBondContact OD1-OG 2.92Å; D114-S117 WeakPolarHBondContact OD1-CB 3.4Å; D114-S117 PolarHBondContact OD1-N 2.95Å; D114-S117 PolarHBondContact OD1-OG 3.3Å; D114-N118 WeakPolarHBondContact O-CA 3.46Å; D114-N118 PolarHBondContact O-N 3.42Å; D114-Q119 PolarHBondContact N-O 2.86Å; D114-Q119 PolarHBondContact O-N 2.9Å
115	L	94.3	Very high	97.9	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-28.8	-175.5	-74.7	170.5	0	0	0	113	L3 F4 C68 W94 S99 V101 W113	L3-L115 CarbonylContact O-C 3.55Å; F4-L115 HydrophobicContact CE1-CD2 4.4Å; C68-L115 HydrophobicContact CB-CD2 4.47Å; W94-L115 HydrophobicContact CE3-CD1 4.28Å; W94-L115 HydrophobicContact CH2-CD1 3.4Å; W94-L115 HydrophobicContact CZ3-CD1 3.2Å; S99-L115 PolarHBondContact O-N 3.17Å; V101-L115 HydrophobicContact CG2-CD1 3.9Å; V101-L115 HydrophobicContact CG2-CD2 4.37Å; V101-L115 HydrophobicContact CG2-CG 4.19Å; W113-L115 HydrophobicContact CD2-CD2 3.98Å; W113-L115 HydrophobicContact CE3-CD2 4.1Å; W113-L115 HydrophobicContact CH2-CD2 3.9Å; W113-L115 HydrophobicContact CZ2-CD2 3.77Å; W113-L115 HydrophobicContact CZ3-CD2 4.04Å
116	S	94.8	Very high	97.9	Very high	63 Å²	63	42.7 Å²	42.7	44%	0.441	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-43.7	-176.5	76.9	0	0	0	0	113	L3 G5 D114	L3-S116 WeakPolarHBondContact O-CA 3.41Å; L3-S116 PolarHBondContact O-N 3.2Å; G5-S116 PolarHBondContact N-O 3.47Å; G5-S116 VanDerWaalsContact N-O 3.13Å; D114-S116 VanDerWaalsContact C-N 3.31Å; D114-S116 PolarHBondContact O-N 2.83Å; D114-S116 PolarHBondContact OD1-N 3.04Å; D114-S116 PolarHBondContact OD1-OG 2.92Å
117	S	96.5	Very high	97.9	Very high	59 Å²	59	47.3 Å²	47.3	41%	0.413	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-9.9	178.2	61.4	0	0	0	0	113	D114 Q119	D114-S117 WeakPolarHBondContact OD1-CB 3.4Å; D114-S117 PolarHBondContact OD1-N 2.95Å; D114-S117 PolarHBondContact OD1-OG 3.3Å; S117-Q119 PolarHBondContact O-N 2.98Å; S117-Q119 PolarHBondContact OG-N 2.77Å
118	N	96.7	Very high	97.9	Very high	47 Å²	47	46.8 Å²	46.8	25%	0.251	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	27.4	-169	-163.7	32.6	0	0	0	113.7	Q83 W113 D114	Q83-N118 PolarHBondContact NE2-O 3.06Å; W113-N118 WeakPolarHBondContact CZ2-OD1 3.22Å; W113-N118 PolarHBondContact NE1-OD1 2.84Å; D114-N118 WeakPolarHBondContact O-CA 3.46Å; D114-N118 PolarHBondContact O-N 3.42Å
119	Q	97.8	Very high	97.9	Very high	133 Å²	133	43.6 Å²	43.6	62%	0.621	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	139.4	177.7	-66.5	-174.3	-17.6	0	0	111	D114 S117	D114-Q119 PolarHBondContact N-O 2.86Å; D114-Q119 PolarHBondContact O-N 2.9Å; S117-Q119 PolarHBondContact O-N 2.98Å; S117-Q119 PolarHBondContact OG-N 2.77Å
120	A	97.9	Very high	97.9	Very high	31 Å²	31	43 Å²	43	26%	0.256	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.7	174.4	0	0	0	0	0	110.8	Q83 K111 M112 W113	Q83-A120 HydrophobicContact CG-CB 4Å; K111-A120 HydrophobicContact CD-CB 4.49Å; M112-A120 VanDerWaalsContact O-CA 3.29Å; M112-A120 WeakPolarHBondContact O-CA 3.34Å; W113-A120 HydrophobicContact CB-CB 4.18Å; W113-A120 HydrophobicContact CG-CB 4.47Å
121	I	97.9	Very high	98	Very high	95 Å²	95	45.5 Å²	45.5	49%	0.487	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	147.8	177.1	59.9	166.5	0	0	0	110.4	K111 M112 I123	K111-I121 CarbonylContact C-O 3.46Å; K111-I121 WeakPolarHBondContact CA-O 3.06Å; K111-I121 WeakPolarHBondContact CB-O 3.46Å; M112-I121 HydrophobicContact CB-CG1 4.49Å; M112-I121 HydrophobicContact CE-CD1 3.84Å; M112-I121 HydrophobicContact CE-CG1 4.09Å; M112-I121 PolarHBondContact N-O 3.27Å; M112-I121 PolarHBondContact O-N 2.84Å; I121-I123 HydrophobicContact CG1-CG2 4.32Å
122	Q	98.3	Very high	98	Very high	105 Å²	105	43.5 Å²	43.5	49%	0.491	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	132.3	173.2	179.9	174.1	-18.7	0	0	110.1	T109 A124	T109-Q122 HydrophobicContact CG2-CG 4.43Å; Q122-A124 PolarHBondContact NE2-O 3Å
123	I	98.5	Very high	98	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.036	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	-15	179.1	57.8	157.5	0	0	0	113.6	F102 A110 M112 I121 V144 W156 T158	F102-I123 HydrophobicContact CD1-CD1 3.68Å; F102-I123 HydrophobicContact CE1-CD1 4.06Å; A110-I123 HydrophobicContact CB-CG1 4.48Å; A110-I123 WeakPolarHBondContact O-CG1 3.32Å; A110-I123 PolarHBondContact O-N 2.85Å; M112-I123 HydrophobicContact CB-CD1 4.13Å; M112-I123 HydrophobicContact CB-CG1 4.32Å; M112-I123 HydrophobicContact CB-CG2 3.61Å; M112-I123 HydrophobicContact CE-CG2 4.45Å; I121-I123 HydrophobicContact CG1-CG2 4.32Å; I123-V144 HydrophobicContact CD1-CB 4.25Å; I123-V144 HydrophobicContact CD1-CG1 4.26Å; I123-V144 HydrophobicContact CD1-CG2 3.87Å; I123-W156 VanDerWaalsContact O-CE3 3.24Å; I123-T158 HydrophobicContact CD1-CG2 4.11Å
124	A	98.7	Very high	98	Very high	2 Å²	2	43.3 Å²	43.3	2%	0.017	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	154.1	-178.5	0	0	0	0	0	111.9	T109 A110 Q122 T146 W156	T109-A124 WeakPolarHBondContact CA-O 3.42Å; A110-A124 HydrophobicContact CB-CB 3.69Å; A110-A124 PolarHBondContact N-O 3.28Å; A110-A124 PolarHBondContact O-N 2.96Å; Q122-A124 PolarHBondContact NE2-O 3Å; A124-T146 HydrophobicContact CB-CG2 4.09Å; A124-W156 HydrophobicContact CB-CD2 3.74Å; A124-W156 HydrophobicContact CB-CE3 4.35Å; A124-W156 HydrophobicContact CB-CG 4.1Å; A124-W156 HydrophobicContact CB-CH2 4.22Å; A124-W156 HydrophobicContact CB-CZ2 3.57Å
125	Q	98.7	Very high	98	Very high	80 Å²	80	44.3 Å²	44.3	37%	0.374	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	135.3	172.5	-178.5	65.2	54.8	0	0	110.8	K108 K154 W156	K108-Q125 PolarHBondContact O-NE2 3.22Å; Q125-K154 PolarHBondContact O-NZ 3.29Å; Q125-W156 WeakPolarHBondContact O-CH2 3.49Å
126	H	98.8	Very high	98.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.			trans	-126.3	166.9	174	-81.7	-90.3	0	0	0	111.5	K108 A128 V130 T146 S148 D150 T152	K108-H126 WeakPolarHBondContact CB-O 3.33Å; K108-H126 PolarHBondContact O-N 3.27Å; H126-A128 VanDerWaalsContact C-N 3.3Å; H126-A128 WeakPolarHBondContact CB-O 3.45Å; H126-V130 HydrophobicContact CB-CG2 4.06Å; H126-T146 WeakPolarHBondContact NE2-CB 3.27Å; H126-T146 PolarHBondContact NE2-OG1 2.79Å; H126-S148 VanDerWaalsContact CG-CB 3.43Å; H126-S148 WeakPolarHBondContact ND1-CB 3.34Å; H126-D150 WeakPolarHBondContact CA-OD2 3.48Å; H126-D150 VanDerWaalsContact CB-OD2 3.27Å; H126-D150 WeakPolarHBondContact CB-OD2 3.44Å; H126-D150 IonicContact CE1-OD1 3.91Å; H126-D150 IonicContact CE1-OD2 2.78Å; H126-D150 IonicContact CG-OD2 3.46Å; H126-D150 VanDerWaalsContact ND1-CG 3.33Å; H126-D150 IonicContact ND1-OD1 2.75Å; H126-D150 PolarHBondContact ND1-OD1 2.98Å; H126-D150 IonicContact ND1-OD2 3.44Å; H126-D150 PolarHBondContact ND1-OD2 3.27Å; H126-T152 PolarHBondContact CE1-OG1 2.96Å; H126-T152 VanDerWaalsContact CE1-OG1 3.28Å; H126-T152 PolarHBondContact ND1-OG1 2.88Å
127	D	98.8	Very high	98.4	Very high	128 Å²	128	46.1 Å²	46.1	68%	0.684	24%	0.237	S	C	*	.	S	Bend	trans	-86.2	-8.4	178.2	-62.7	-42.2	0	0	0	112.4	K108 D150	K108-D127 PolarHBondContact NZ-O 3.08Å; D127-D150 HydrophobicContact CB-CB 4Å; D127-D150 PolarHBondContact N-OD2 3.07Å
128	A	98.9	Very high	98.4	Very high	19 Å²	19	43.6 Å²	43.6	16%	0.157	22%	0.219	C	C	.	.	S	Bend	trans	-144.9	171.4	177.3	0	0	0	0	0	110.9	H126 V130 S148 W149 D150	H126-A128 VanDerWaalsContact C-N 3.3Å; H126-A128 WeakPolarHBondContact CB-O 3.45Å; A128-V130 PolarHBondContact O-N 3.34Å; A128-S148 PolarHBondContact O-OG 2.85Å; A128-W149 HydrophobicContact CB-CB 3.98Å; A128-D150 HydrophobicContact CB-CB 3.92Å
129	P	98.9	Very high	98.3	Very high	26 Å²	26	46.8 Å²	46.8	17%	0.169	24%	0.243	C	C	.	.			trans	-44.8	135.6	178	-36.3	41.6	0	0	0	114.5	L90 C106 S148 W149	L90-P129 HydrophobicContact CD1-CB 4.29Å; C106-P129 HydrophobicContact CB-CG 4.47Å; P129-S148 WeakPolarHBondContact O-CA 3.49Å; P129-S148 WeakPolarHBondContact O-CB 3.38Å; P129-S148 PolarHBondContact O-OG 3.05Å; P129-W149 HydrophobicContact CB-CD2 4.06Å; P129-W149 HydrophobicContact CB-CE3 3.55Å; P129-W149 HydrophobicContact CB-CH2 4.5Å; P129-W149 HydrophobicContact CB-CZ3 3.8Å; P129-W149 HydrophobicContact CG-CD2 4.5Å; P129-W149 HydrophobicContact CG-CE3 3.58Å; P129-W149 HydrophobicContact CG-CZ3 3.76Å; P129-W149 PolarHBondContact O-N 2.99Å; P129-W149 VanDerWaalsContact O-N 3.12Å
130	V	98.9	Very high	98.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	111.5	175.9	-170	0	0	0	0	108.1	A104 S105 H126 A128 T146	A104-V130 HydrophobicContact CB-CB 3.87Å; A104-V130 HydrophobicContact CB-CG1 3.6Å; S105-V130 PolarHBondContact O-N 3.02Å; H126-V130 HydrophobicContact CB-CG2 4.06Å; A128-V130 PolarHBondContact O-N 3.34Å; V130-T146 HydrophobicContact CG1-CG2 4Å
131	K	98.9	Very high	98.1	Very high	53 Å²	53	45 Å²	45	23%	0.23	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-28.1	-171.8	179.4	58.8	-162.1	70	0	113.6	L90 G147 W149 C173 Y174	L90-K131 HydrophobicContact CB-CD 4.35Å; L90-K131 HydrophobicContact CD1-CD 4Å; K131-G147 PolarHBondContact N-O 3.37Å; K131-W149 HydrophobicContact CD-CZ2 4.13Å; K131-C173 WeakPolarHBondContact CG-O 3.33Å; K131-Y174 WeakPolarHBondContact CE-O 3.46Å; K131-Y174 VanDerWaalsContact CG-O 3.3Å; K131-Y174 WeakPolarHBondContact CG-O 3.46Å
132	T	98.9	Very high	98	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.018	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.4	-178.7	68.1	0	0	0	0	111.6	D91 T146 G147 A176	D91-T132 VanDerWaalsContact OD2-CA 3.22Å; D91-T132 WeakPolarHBondContact OD2-CA 3.35Å; T132-T146 WeakPolarHBondContact O-CA 3.49Å; T132-G147 PolarHBondContact N-O 2.97Å; T132-G147 VanDerWaalsContact N-O 3.09Å; T132-G147 PolarHBondContact O-N 2.84Å; T132-G147 WeakPolarHBondContact OG1-CA 3.18Å; T132-G147 PolarHBondContact OG1-N 3.08Å; T132-A176 HydrophobicContact CG2-CB 3.95Å
133	I	98.9	Very high	98	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	126.1	176.2	-166.3	161.1	0	0	0	111.7	D91 C93 F102 A104 A110 V144 M145 T146	D91-I133 HydrophobicContact CB-CG2 3.98Å; D91-I133 PolarHBondContact OD2-N 2.83Å; C93-I133 WeakPolarHBondContact CB-O 3.46Å; C93-I133 PolarHBondContact SG-O 2.93Å; F102-I133 HydrophobicContact CB-CD1 3.62Å; F102-I133 HydrophobicContact CB-CG1 4.03Å; A104-I133 HydrophobicContact CB-CB 3.82Å; A104-I133 HydrophobicContact CB-CD1 4.27Å; A104-I133 HydrophobicContact CB-CG2 3.84Å; A110-I133 HydrophobicContact CB-CD1 3.57Å; I133-V144 HydrophobicContact CD1-CG1 3.89Å; I133-V144 HydrophobicContact CG1-CG1 3.57Å; I133-M145 WeakPolarHBondContact CA-O 3.2Å; I133-T146 HydrophobicContact CD1-CG2 4.14Å; I133-T146 HydrophobicContact CG1-CG2 4.12Å
134	H	98.9	Very high	98	Very high	26 Å²	26	37 Å²	37	12%	0.12	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.2	-175.7	-66.7	70.3	0	0	0	111.2	D91 V144 M145 A176 V178	D91-H134 IonicContact OD2-CE1 3.95Å; H134-V144 CarbonylContact O-C 3.49Å; H134-V144 WeakPolarHBondContact O-CA 3.13Å; H134-M145 HydrophobicContact CB-CE 4.31Å; H134-M145 PolarHBondContact N-O 2.86Å; H134-M145 PolarHBondContact O-N 2.99Å; H134-A176 PolarHBondContact CE1-O 2.72Å; H134-A176 PolarHBondContact NE2-O 2.97Å; H134-V178 HydrophobicContact CB-CB 3.98Å; H134-V178 HydrophobicContact CB-CG2 3.49Å; H134-V178 VanDerWaalsContact CB-CG2 3.49Å
135	W	98.7	Very high	98	Very high	50 Å²	50	37 Å²	37	19%	0.189	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.8	169.7	178.7	-119	0	0	0	110.6	W94 D96 F102 K137 S142 C143 V144	W94-W135 VanDerWaalsContact O-CB 3.27Å; W94-W135 WeakPolarHBondContact O-CB 3.27Å; D96-W135 VanDerWaalsContact N-CD1 3.26Å; D96-W135 VanDerWaalsContact N-NE1 3.17Å; D96-W135 VanDerWaalsContact OD1-CE2 3.32Å; D96-W135 WeakPolarHBondContact OD1-CZ2 3.41Å; D96-W135 PolarHBondContact OD1-NE1 2.84Å; F102-W135 HydrophobicContact CE2-CB 4.25Å; F102-W135 HydrophobicContact CE2-CD2 4.09Å; F102-W135 AromaticContact CE2-CE3 3.69Å; F102-W135 HydrophobicContact CE2-CE3 3.69Å; F102-W135 HydrophobicContact CE2-CG 4.35Å; F102-W135 HydrophobicContact CE2-CZ3 4.34Å; F102-W135 AromaticContact CZ-CE3 3.8Å; F102-W135 HydrophobicContact CZ-CE3 3.8Å; F102-W135 AromaticContact CZ-CZ3 3.98Å; F102-W135 HydrophobicContact CZ-CZ3 3.98Å; W135-K137 HydrophobicContact CZ2-CD 4.44Å; W135-S142 VanDerWaalsContact CH2-CB 3.46Å; W135-S142 VanDerWaalsContact CZ2-CB 3.48Å; W135-C143 VanDerWaalsContact CE3-O 3.22Å; W135-V144 HydrophobicContact CE3-CG2 3.9Å; W135-V144 HydrophobicContact CZ3-CG2 4.16Å
136	I	98.6	Very high	98	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	113.3	173.5	-62.4	169.6	0	0	0	108.2	A138 Y141 S142 C143 M145 F155 V178 L197	I136-A138 HydrophobicContact CG2-CB 4.48Å; I136-Y141 HydrophobicContact CG2-CE2 3.88Å; I136-S142 VanDerWaalsContact O-CA 3.3Å; I136-S142 WeakPolarHBondContact O-CA 3.41Å; I136-C143 PolarHBondContact N-O 3.31Å; I136-C143 PolarHBondContact O-N 3.28Å; I136-C143 VanDerWaalsContact O-N 3.11Å; I136-M145 HydrophobicContact CD1-CB 3.75Å; I136-M145 HydrophobicContact CD1-SD 4.37Å; I136-M145 HydrophobicContact CG1-CB 4.4Å; I136-F155 HydrophobicContact CD1-CD1 3.97Å; I136-F155 HydrophobicContact CD1-CE1 3.67Å; I136-V178 HydrophobicContact CG1-CG1 3.95Å; I136-L197 HydrophobicContact CD1-CD1 4.38Å; I136-L197 HydrophobicContact CD1-CD2 4.17Å; I136-L197 HydrophobicContact CG1-CD1 4.38Å; I136-L197 HydrophobicContact CG2-CD1 4.26Å
137	K	97.3	Very high	98.1	Very high	103 Å²	103	33.1 Å²	33.1	45%	0.448	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	88.1	170.3	-170.3	59.4	171.5	-170	0	110.6	D96 W135 S142	D96-K137 HydrophobicContact CB-CB 4.23Å; D96-K137 HydrophobicContact CB-CG 4.12Å; D96-K137 IonicContact OD1-NZ 3.43Å; D96-K137 WeakPolarHBondContact OD2-CE 3.3Å; D96-K137 IonicContact OD2-NZ 3.78Å; W135-K137 HydrophobicContact CZ2-CD 4.44Å; K137-S142 WeakPolarHBondContact CD-OG 3.24Å; K137-S142 PolarHBondContact NZ-OG 3.02Å
138	A	96.8	Very high	98.1	Very high	6 Å²	6	27 Å²	27	5%	0.05	15%	0.145	C	C	.	.			trans	-90.4	161.7	172.2	0	0	0	0	0	110.7	I136 N140 Y141 Y180	I136-A138 HydrophobicContact CG2-CB 4.48Å; A138-N140 PolarHBondContact O-N 2.91Å; A138-Y141 CarbonylContact C-O 3.52Å; A138-Y141 HydrophobicContact CB-CD1 3.8Å; A138-Y141 HydrophobicContact CB-CE1 3.53Å; A138-Y141 HydrophobicContact CB-CE2 4.44Å; A138-Y141 HydrophobicContact CB-CG 4.34Å; A138-Y141 WeakPolarHBondContact CB-O 3.49Å; A138-Y141 PolarHBondContact N-O 2.86Å; A138-Y141 VanDerWaalsContact N-O 3.11Å; A138-Y180 HydrophobicContact CB-CD2 3.87Å; A138-Y180 HydrophobicContact CB-CE2 3.47Å; A138-Y180 VanDerWaalsContact CB-CE2 3.47Å
139	P	96.1	Very high	98.1	Very high	115 Å²	115	30.5 Å²	30.5	75%	0.747	15%	0.154	S	C	*	.	S	Bend	trans	-61.2	-29.9	174.8	-25.3	35.4	0	0	0	114.2	Y180	P139-Y180 VanDerWaalsContact CD-CZ 3.43Å; P139-Y180 VanDerWaalsContact CD-OH 3.3Å; P139-Y180 WeakPolarHBondContact CD-OH 3.34Å; P139-Y180 HydrophobicContact CG-CE1 4.3Å
140	N	93.3	Very high	98.1	Very high	93 Å²	93	30.6 Å²	30.6	50%	0.497	15%	0.153	S	C	.	.	S	Bend	trans	-108.3	-13.7	-171.1	67.3	-45	0	0	0	114.7	A138 N199	A138-N140 PolarHBondContact O-N 2.91Å; N140-N199 WeakPolarHBondContact ND2-CA 3.47Å; N140-N199 PolarHBondContact ND2-O 3.46Å
141	Y	96.4	Very high	98.1	Very high	32 Å²	32	34.6 Å²	34.6	13%	0.125	17%	0.17	C	C	.	.			trans	-154.3	164.9	174.9	68.8	-81.5	0	0	0	110.7	I136 A138 C143 L197 P201	I136-Y141 HydrophobicContact CG2-CE2 3.88Å; A138-Y141 CarbonylContact C-O 3.52Å; A138-Y141 HydrophobicContact CB-CD1 3.8Å; A138-Y141 HydrophobicContact CB-CE1 3.53Å; A138-Y141 HydrophobicContact CB-CE2 4.44Å; A138-Y141 HydrophobicContact CB-CG 4.34Å; A138-Y141 WeakPolarHBondContact CB-O 3.49Å; A138-Y141 PolarHBondContact N-O 2.86Å; A138-Y141 VanDerWaalsContact N-O 3.11Å; Y141-C143 HydrophobicContact CD2-CB 4.28Å; Y141-C143 VanDerWaalsContact CE2-SG 3.53Å; Y141-L197 WeakPolarHBondContact CE1-O 3.49Å; Y141-L197 PolarHBondContact OH-O 2.87Å; Y141-P201 HydrophobicContact CE2-CG 4.42Å; Y141-P201 WeakPolarHBondContact OH-CD 3.45Å; Y141-P201 WeakPolarHBondContact OH-CG 3.41Å
142	S	97.2	Very high	98.1	Very high	40 Å²	40	32.6 Å²	32.6	28%	0.28	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.3	168.5	-50	0	0	0	0	108.8	W135 I136 K137	W135-S142 VanDerWaalsContact CH2-CB 3.46Å; W135-S142 VanDerWaalsContact CZ2-CB 3.48Å; I136-S142 VanDerWaalsContact O-CA 3.3Å; I136-S142 WeakPolarHBondContact O-CA 3.41Å; K137-S142 WeakPolarHBondContact CD-OG 3.24Å; K137-S142 PolarHBondContact NZ-OG 3.02Å
143	C	98.3	Very high	98	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	165.3	-177.6	72.2	0	0	0	0	111.9	W135 I136 Y141 W156 M164	W135-C143 VanDerWaalsContact CE3-O 3.22Å; I136-C143 PolarHBondContact N-O 3.31Å; I136-C143 PolarHBondContact O-N 3.28Å; I136-C143 VanDerWaalsContact O-N 3.11Å; Y141-C143 HydrophobicContact CD2-CB 4.28Å; Y141-C143 VanDerWaalsContact CE2-SG 3.53Å; C143-W156 CarbonylContact C-O 3.42Å; C143-W156 VanDerWaalsContact CA-O 3.24Å; C143-W156 WeakPolarHBondContact CA-O 3.38Å; C143-W156 VanDerWaalsContact CB-O 3.22Å; C143-W156 WeakPolarHBondContact CB-O 3.49Å; C143-M164 HydrophobicContact CB-SD 3.63Å
144	V	98.8	Very high	98	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	132.3	168.9	175.6	0	0	0	0	108.8	F102 I123 I133 H134 W135 T146 F155 W156 T158	F102-V144 HydrophobicContact CD1-CG2 3.66Å; F102-V144 HydrophobicContact CD2-CG2 4.18Å; F102-V144 HydrophobicContact CE1-CG2 3.52Å; F102-V144 HydrophobicContact CE2-CG2 4.05Å; F102-V144 HydrophobicContact CG-CG2 3.98Å; F102-V144 HydrophobicContact CZ-CG2 3.73Å; I123-V144 HydrophobicContact CD1-CB 4.25Å; I123-V144 HydrophobicContact CD1-CG1 4.26Å; I123-V144 HydrophobicContact CD1-CG2 3.87Å; I133-V144 HydrophobicContact CD1-CG1 3.89Å; I133-V144 HydrophobicContact CG1-CG1 3.57Å; H134-V144 CarbonylContact O-C 3.49Å; H134-V144 WeakPolarHBondContact O-CA 3.13Å; W135-V144 HydrophobicContact CE3-CG2 3.9Å; W135-V144 HydrophobicContact CZ3-CG2 4.16Å; V144-T146 HydrophobicContact CG1-CG2 4.12Å; V144-F155 CarbonylContact O-C 3.49Å; V144-F155 VanDerWaalsContact O-CA 3.28Å; V144-F155 WeakPolarHBondContact O-CA 3.3Å; V144-W156 HydrophobicContact CB-CB 4.42Å; V144-W156 PolarHBondContact N-O 3.42Å; V144-W156 PolarHBondContact O-N 2.86Å; V144-T158 HydrophobicContact CG2-CG2 3.71Å
145	M	98.8	Very high	98	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	123.1	169.2	-177.8	-176	79.7	0	0	109.6	I133 H134 I136 L153 K154 F155 A176 V178 A183	I133-M145 WeakPolarHBondContact CA-O 3.2Å; H134-M145 HydrophobicContact CB-CE 4.31Å; H134-M145 PolarHBondContact N-O 2.86Å; H134-M145 PolarHBondContact O-N 2.99Å; I136-M145 HydrophobicContact CD1-CB 3.75Å; I136-M145 HydrophobicContact CD1-SD 4.37Å; I136-M145 HydrophobicContact CG1-CB 4.4Å; M145-L153 HydrophobicContact CE-CD2 4.41Å; M145-L153 HydrophobicContact CG-CD2 4.05Å; M145-L153 HydrophobicContact SD-CD2 4.08Å; M145-K154 WeakPolarHBondContact CA-O 3.39Å; M145-F155 HydrophobicContact CB-CD1 3.99Å; M145-F155 HydrophobicContact CB-CE1 3.83Å; M145-F155 HydrophobicContact CG-CD1 4.11Å; M145-F155 HydrophobicContact CG-CE1 3.57Å; M145-F155 HydrophobicContact CG-CZ 3.91Å; M145-F155 HydrophobicContact SD-CE1 3.84Å; M145-F155 HydrophobicContact SD-CZ 3.99Å; M145-A176 HydrophobicContact CE-CB 4.35Å; M145-V178 HydrophobicContact CE-CG2 3.39Å; M145-V178 HydrophobicContact SD-CG2 4.35Å; M145-A183 HydrophobicContact CE-CB 4.48Å; M145-A183 HydrophobicContact SD-CB 4.49Å
146	T	98.9	Very high	98	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.7	173.8	53.1	0	0	0	0	111	A110 A124 H126 V130 T132 I133 V144 L153 K154 W156	A110-T146 HydrophobicContact CB-CG2 4.15Å; A124-T146 HydrophobicContact CB-CG2 4.09Å; H126-T146 WeakPolarHBondContact NE2-CB 3.27Å; H126-T146 PolarHBondContact NE2-OG1 2.79Å; V130-T146 HydrophobicContact CG1-CG2 4Å; T132-T146 WeakPolarHBondContact O-CA 3.49Å; I133-T146 HydrophobicContact CD1-CG2 4.14Å; I133-T146 HydrophobicContact CG1-CG2 4.12Å; V144-T146 HydrophobicContact CG1-CG2 4.12Å; T146-L153 VanDerWaalsContact O-CA 3.32Å; T146-L153 WeakPolarHBondContact O-CA 3.28Å; T146-K154 PolarHBondContact N-O 2.66Å; T146-K154 PolarHBondContact O-N 2.72Å; T146-K154 PolarHBondContact OG1-O 3.49Å; T146-W156 PolarHBondContact OG1-NE1 3.31Å
147	G	98.9	Very high	97.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.2	172.2	0	0	0	0	0	111.2	K131 T132	K131-G147 PolarHBondContact N-O 3.37Å; T132-G147 PolarHBondContact N-O 2.97Å; T132-G147 VanDerWaalsContact N-O 3.09Å; T132-G147 PolarHBondContact O-N 2.84Å; T132-G147 WeakPolarHBondContact OG1-CA 3.18Å; T132-G147 PolarHBondContact OG1-N 3.08Å
148	S	98.9	Very high	97.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	162.6	-172.7	172	0	0	0	0	113.3	H126 A128 P129 D150 K151 T152 C173	H126-S148 VanDerWaalsContact CG-CB 3.43Å; H126-S148 WeakPolarHBondContact ND1-CB 3.34Å; A128-S148 PolarHBondContact O-OG 2.85Å; P129-S148 WeakPolarHBondContact O-CA 3.49Å; P129-S148 WeakPolarHBondContact O-CB 3.38Å; P129-S148 PolarHBondContact O-OG 3.05Å; S148-D150 VanDerWaalsContact CB-OD1 3.26Å; S148-D150 WeakPolarHBondContact CB-OD1 3.14Å; S148-D150 PolarHBondContact O-N 3.22Å; S148-D150 PolarHBondContact OG-N 2.98Å; S148-D150 VanDerWaalsContact OG-N 3.08Å; S148-D150 PolarHBondContact OG-OD1 2.53Å; S148-K151 PolarHBondContact O-N 3.2Å; S148-T152 PolarHBondContact N-O 2.85Å; S148-C173 VanDerWaalsContact O-CB 3.28Å; S148-C173 WeakPolarHBondContact O-CB 3.39Å; S148-C173 PolarHBondContact O-N 3.48Å; S148-C173 VanDerWaalsContact O-N 3.08Å
149	W	98.9	Very high	97.7	Very high	92 Å²	92	38.7 Å²	38.7	35%	0.348	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-4.2	168	-63	-13.2	0	0	0	113.5	L90 A128 P129 K131 K151 R172 C173	L90-W149 HydrophobicContact CD1-CH2 4.42Å; L90-W149 HydrophobicContact CD1-CZ2 4.39Å; A128-W149 HydrophobicContact CB-CB 3.98Å; P129-W149 HydrophobicContact CB-CD2 4.06Å; P129-W149 HydrophobicContact CB-CE3 3.55Å; P129-W149 HydrophobicContact CB-CH2 4.5Å; P129-W149 HydrophobicContact CB-CZ3 3.8Å; P129-W149 HydrophobicContact CG-CD2 4.5Å; P129-W149 HydrophobicContact CG-CE3 3.58Å; P129-W149 HydrophobicContact CG-CZ3 3.76Å; P129-W149 PolarHBondContact O-N 2.99Å; P129-W149 VanDerWaalsContact O-N 3.12Å; K131-W149 HydrophobicContact CD-CZ2 4.13Å; W149-K151 PolarHBondContact O-N 2.85Å; W149-R172 HydrophobicContact CB-CB 4.31Å; W149-R172 HydrophobicContact CB-CG 4.01Å; W149-R172 HydrophobicContact CG-CB 4.35Å; W149-R172 HydrophobicContact CG-CG 4.44Å; W149-R172 WeakPolarHBondContact O-CG 3.41Å; W149-C173 PolarHBondContact NE1-O 3.23Å; W149-C173 VanDerWaalsContact NE1-O 3.08Å
150	D	98.8	Very high	97.6	Very high	28 Å²	28	35.4 Å²	35.4	15%	0.15	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	7.4	169.4	72	3.6	0	0	0	113.2	H126 D127 A128 S148 T152	H126-D150 WeakPolarHBondContact CA-OD2 3.48Å; H126-D150 VanDerWaalsContact CB-OD2 3.27Å; H126-D150 WeakPolarHBondContact CB-OD2 3.44Å; H126-D150 IonicContact CE1-OD1 3.91Å; H126-D150 IonicContact CE1-OD2 2.78Å; H126-D150 IonicContact CG-OD2 3.46Å; H126-D150 VanDerWaalsContact ND1-CG 3.33Å; H126-D150 IonicContact ND1-OD1 2.75Å; H126-D150 PolarHBondContact ND1-OD1 2.98Å; H126-D150 IonicContact ND1-OD2 3.44Å; H126-D150 PolarHBondContact ND1-OD2 3.27Å; D127-D150 HydrophobicContact CB-CB 4Å; D127-D150 PolarHBondContact N-OD2 3.07Å; A128-D150 HydrophobicContact CB-CB 3.92Å; S148-D150 VanDerWaalsContact CB-OD1 3.26Å; S148-D150 WeakPolarHBondContact CB-OD1 3.14Å; S148-D150 PolarHBondContact O-N 3.22Å; S148-D150 PolarHBondContact OG-N 2.98Å; S148-D150 VanDerWaalsContact OG-N 3.08Å; S148-D150 PolarHBondContact OG-OD1 2.53Å; D150-T152 VanDerWaalsContact C-N 3.3Å; D150-T152 VanDerWaalsContact CG-OG1 3.31Å; D150-T152 PolarHBondContact O-N 2.84Å; D150-T152 WeakPolarHBondContact OD1-CB 3.45Å; D150-T152 PolarHBondContact OD1-N 3.09Å; D150-T152 PolarHBondContact OD1-OG1 2.82Å; D150-T152 PolarHBondContact OD2-OG1 3.19Å
151	K	98.9	Very high	97.6	Very high	83 Å²	83	35.8 Å²	35.8	36%	0.361	18%	0.177	S	C	.	.	S	Bend	trans	65.4	30.4	179.9	-42.5	-173.9	-175.2	-165	0	112.8	S148 W149 Q168 L169 E171	S148-K151 PolarHBondContact O-N 3.2Å; W149-K151 PolarHBondContact O-N 2.85Å; K151-Q168 PolarHBondContact O-OE1 3.26Å; K151-L169 WeakPolarHBondContact O-CA 3.41Å; K151-L169 WeakPolarHBondContact O-CB 3.31Å; K151-L169 PolarHBondContact O-N 3.35Å; K151-E171 WeakPolarHBondContact CE-OE1 3.46Å; K151-E171 IonicContact NZ-OE1 3.81Å; K151-E171 PolarHBondContact NZ-OE1 3.39Å
152	T	98.9	Very high	97.6	Very high	11 Å²	11	39.5 Å²	39.5	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.4	173.5	71.2	0	0	0	0	113	H126 S148 D150 V166 L167	H126-T152 PolarHBondContact CE1-OG1 2.96Å; H126-T152 VanDerWaalsContact CE1-OG1 3.28Å; H126-T152 PolarHBondContact ND1-OG1 2.88Å; S148-T152 PolarHBondContact N-O 2.85Å; D150-T152 VanDerWaalsContact C-N 3.3Å; D150-T152 VanDerWaalsContact CG-OG1 3.31Å; D150-T152 PolarHBondContact O-N 2.84Å; D150-T152 WeakPolarHBondContact OD1-CB 3.45Å; D150-T152 PolarHBondContact OD1-N 3.09Å; D150-T152 PolarHBondContact OD1-OG1 2.82Å; D150-T152 PolarHBondContact OD2-OG1 3.19Å; T152-V166 HydrophobicContact CG2-CG1 4.38Å; T152-L167 WeakPolarHBondContact CA-O 3.34Å
153	L	98.8	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.6	154.2	-73	162.9	0	0	0	108	M145 T146 F155 V166 L167 L169 V185 Y195	M145-L153 HydrophobicContact CE-CD2 4.41Å; M145-L153 HydrophobicContact CG-CD2 4.05Å; M145-L153 HydrophobicContact SD-CD2 4.08Å; T146-L153 VanDerWaalsContact O-CA 3.32Å; T146-L153 WeakPolarHBondContact O-CA 3.28Å; L153-F155 HydrophobicContact CB-CE2 4.26Å; L153-V166 WeakPolarHBondContact O-CA 3.2Å; L153-L167 HydrophobicContact CB-CB 4.24Å; L153-L167 PolarHBondContact N-O 3.08Å; L153-L167 PolarHBondContact O-N 2.8Å; L153-L169 HydrophobicContact CD1-CD2 3.82Å; L153-L169 HydrophobicContact CD1-CG 4.43Å; L153-L169 HydrophobicContact CG-CD1 4.06Å; L153-L169 HydrophobicContact CG-CD2 4.03Å; L153-L169 HydrophobicContact CG-CG 4.12Å; L153-V185 HydrophobicContact CD1-CG2 3.95Å; L153-V185 HydrophobicContact CD2-CG2 4.13Å; L153-Y195 HydrophobicContact CD1-CD2 4.48Å; L153-Y195 HydrophobicContact CD1-CE1 4.09Å; L153-Y195 HydrophobicContact CD1-CE2 3.73Å
154	K	98.8	Very high	97.5	Very high	30 Å²	30	44.5 Å²	44.5	13%	0.13	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	146.8	173.4	-66	-177.2	-173.5	175.6	0	110.2	Q125 M145 T146 W156 P163 V166	Q125-K154 PolarHBondContact O-NZ 3.29Å; M145-K154 WeakPolarHBondContact CA-O 3.39Å; T146-K154 PolarHBondContact N-O 2.66Å; T146-K154 PolarHBondContact O-N 2.72Å; T146-K154 PolarHBondContact OG1-O 3.49Å; K154-W156 HydrophobicContact CB-CH2 4.47Å; K154-W156 HydrophobicContact CB-CZ2 3.52Å; K154-W156 HydrophobicContact CD-CH2 3.85Å; K154-W156 HydrophobicContact CD-CZ2 3.45Å; K154-W156 VanDerWaalsContact CD-CZ2 3.45Å; K154-W156 HydrophobicContact CG-CZ2 4.11Å; K154-P163 HydrophobicContact CB-CB 4.22Å; K154-P163 HydrophobicContact CD-CB 4.45Å; K154-P163 HydrophobicContact CD-CG 4.47Å; K154-P163 HydrophobicContact CG-CB 4.48Å; K154-V166 HydrophobicContact CG-CG1 4.2Å; K154-V166 HydrophobicContact CG-CG2 4.16Å
155	F	98.6	Very high	97.4	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.009	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137	179.9	-61	-95.3	0	0	0	109.8	I136 V144 M145 L153 P163 M164 M165 L167 P201	I136-F155 HydrophobicContact CD1-CD1 3.97Å; I136-F155 HydrophobicContact CD1-CE1 3.67Å; V144-F155 CarbonylContact O-C 3.49Å; V144-F155 VanDerWaalsContact O-CA 3.28Å; V144-F155 WeakPolarHBondContact O-CA 3.3Å; M145-F155 HydrophobicContact CB-CD1 3.99Å; M145-F155 HydrophobicContact CB-CE1 3.83Å; M145-F155 HydrophobicContact CG-CD1 4.11Å; M145-F155 HydrophobicContact CG-CE1 3.57Å; M145-F155 HydrophobicContact CG-CZ 3.91Å; M145-F155 HydrophobicContact SD-CE1 3.84Å; M145-F155 HydrophobicContact SD-CZ 3.99Å; L153-F155 HydrophobicContact CB-CE2 4.26Å; F155-P163 CarbonylContact O-C 3.58Å; F155-P163 VanDerWaalsContact O-CA 3.27Å; F155-P163 WeakPolarHBondContact O-CA 3.44Å; F155-M164 HydrophobicContact CB-CG 3.78Å; F155-M164 HydrophobicContact CB-SD 4.35Å; F155-M164 WeakPolarHBondContact O-CG 3.49Å; F155-M164 PolarHBondContact O-N 3.08Å; F155-M165 HydrophobicContact CB-CB 4.24Å; F155-M165 HydrophobicContact CD1-CE 4.5Å; F155-M165 HydrophobicContact CD2-CB 3.99Å; F155-M165 HydrophobicContact CD2-CE 3.47Å; F155-M165 VanDerWaalsContact CD2-CE 3.47Å; F155-M165 HydrophobicContact CD2-CG 4.35Å; F155-M165 HydrophobicContact CE2-CE 3.51Å; F155-M165 HydrophobicContact CG-CB 4.44Å; F155-M165 HydrophobicContact CG-CE 4Å; F155-M165 HydrophobicContact CZ-CE 4.05Å; F155-M165 PolarHBondContact N-O 3.01Å; F155-L167 HydrophobicContact CE2-CD1 3.82Å; F155-L167 HydrophobicContact CE2-CG 4.04Å; F155-L167 HydrophobicContact CZ-CD1 4.19Å; F155-P201 HydrophobicContact CD1-CB 4.43Å; F155-P201 HydrophobicContact CD1-CG 3.77Å; F155-P201 HydrophobicContact CE1-CB 3.65Å; F155-P201 HydrophobicContact CE1-CG 3.42Å; F155-P201 VanDerWaalsContact CE1-CG 3.42Å; F155-P201 HydrophobicContact CE2-CB 4.21Å; F155-P201 HydrophobicContact CE2-CG 4.42Å; F155-P201 HydrophobicContact CG-CG 4.38Å; F155-P201 HydrophobicContact CZ-CB 3.52Å; F155-P201 HydrophobicContact CZ-CG 3.8Å
156	W	98.5	Very high	97.4	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.011	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	132.3	-170.5	-45.4	88.7	0	0	0	111.4	I123 A124 Q125 C143 V144 T146 K154 T158 P163	I123-W156 VanDerWaalsContact O-CE3 3.24Å; A124-W156 HydrophobicContact CB-CD2 3.74Å; A124-W156 HydrophobicContact CB-CE3 4.35Å; A124-W156 HydrophobicContact CB-CG 4.1Å; A124-W156 HydrophobicContact CB-CH2 4.22Å; A124-W156 HydrophobicContact CB-CZ2 3.57Å; Q125-W156 WeakPolarHBondContact O-CH2 3.49Å; C143-W156 CarbonylContact C-O 3.42Å; C143-W156 VanDerWaalsContact CA-O 3.24Å; C143-W156 WeakPolarHBondContact CA-O 3.38Å; C143-W156 VanDerWaalsContact CB-O 3.22Å; C143-W156 WeakPolarHBondContact CB-O 3.49Å; V144-W156 HydrophobicContact CB-CB 4.42Å; V144-W156 PolarHBondContact N-O 3.42Å; V144-W156 PolarHBondContact O-N 2.86Å; T146-W156 PolarHBondContact OG1-NE1 3.31Å; K154-W156 HydrophobicContact CB-CH2 4.47Å; K154-W156 HydrophobicContact CB-CZ2 3.52Å; K154-W156 HydrophobicContact CD-CH2 3.85Å; K154-W156 HydrophobicContact CD-CZ2 3.45Å; K154-W156 VanDerWaalsContact CD-CZ2 3.45Å; K154-W156 HydrophobicContact CG-CZ2 4.11Å; W156-T158 PolarHBondContact O-N 3.3Å; W156-P163 HydrophobicContact CD2-CB 4.35Å; W156-P163 HydrophobicContact CE3-CB 4.03Å; W156-P163 HydrophobicContact CH2-CB 3.99Å; W156-P163 HydrophobicContact CH2-CG 4.27Å; W156-P163 HydrophobicContact CZ2-CB 4.31Å; W156-P163 HydrophobicContact CZ3-CB 3.84Å; W156-P163 HydrophobicContact CZ3-CG 4.23Å
157	D	96.3	Very high	97.4	Very high	40 Å²	40	51.2 Å²	51.2	21%	0.214	26%	0.26	C	S	.	.			trans	-86.2	7.1	178.1	81.1	-14	0	0	0	113.8	R159 S160 M164	D157-R159 PolarHBondContact O-N 3.06Å; D157-R159 VanDerWaalsContact O-N 3.08Å; D157-R159 PolarHBondContact OD1-N 2.88Å; D157-R159 IonicContact OD2-CZ 3.55Å; D157-R159 IonicContact OD2-NE 3.46Å; D157-R159 PolarHBondContact OD2-NE 3.03Å; D157-R159 IonicContact OD2-NH2 2.82Å; D157-R159 PolarHBondContact OD2-NH2 3.46Å; D157-S160 WeakPolarHBondContact OD1-CB 3.5Å; D157-S160 PolarHBondContact OD1-N 3.05Å; D157-M164 HydrophobicContact CB-SD 4.46Å
158	T	96.5	Very high	97.4	Very high	30 Å²	30	57.6 Å²	57.6	18%	0.184	29%	0.29	C	S	.	.	S	Bend	trans	61.7	4.8	-178.9	77.3	0	0	0	0	116.5	F102 M112 I123 V144 W156	F102-T158 HydrophobicContact CE1-CG2 3.9Å; F102-T158 HydrophobicContact CZ-CG2 4.36Å; M112-T158 HydrophobicContact SD-CG2 4.3Å; I123-T158 HydrophobicContact CD1-CG2 4.11Å; V144-T158 HydrophobicContact CG2-CG2 3.71Å; W156-T158 PolarHBondContact O-N 3.3Å
159	R	93.6	Very high	97.4	Very high	212 Å²	212	58 Å²	58	80%	0.8	29%	0.292	S	S	*	.	S	Bend	trans	-116.8	-29.6	-180	-58.5	174.6	-58	144.3	12.6	112.1	D157	D157-R159 PolarHBondContact O-N 3.06Å; D157-R159 VanDerWaalsContact O-N 3.08Å; D157-R159 PolarHBondContact OD1-N 2.88Å; D157-R159 IonicContact OD2-CZ 3.55Å; D157-R159 IonicContact OD2-NE 3.46Å; D157-R159 PolarHBondContact OD2-NE 3.03Å; D157-R159 IonicContact OD2-NH2 2.82Å; D157-R159 PolarHBondContact OD2-NH2 3.46Å
160	S	94.2	Very high	97.3	Very high	46 Å²	46	56.7 Å²	56.7	32%	0.322	30%	0.296	S	S	.	.			trans	-100.5	147.1	177.4	179.6	0	0	0	0	111.3	D157 N162	D157-S160 WeakPolarHBondContact OD1-CB 3.5Å; D157-S160 PolarHBondContact OD1-N 3.05Å; S160-N162 VanDerWaalsContact C-N 3.28Å; S160-N162 PolarHBondContact OG-N 3.12Å; S160-N162 VanDerWaalsContact OG-N 3.09Å; S160-N162 PolarHBondContact OG-O 2.93Å
161	S	92.5	Very high	97.3	Very high	102 Å²	102	57 Å²	57	71%	0.713	30%	0.296	S	S	*	.	S	Bend	trans	-79.4	-10.8	169.7	62.7	0	0	0	0	113.2
162	N	95.6	Very high	97.3	Very high	110 Å²	110	57.9 Å²	57.9	59%	0.588	30%	0.297	S	S	*	.	S	Bend	trans	-94	135.6	177.3	-62.7	-71.4	0	0	0	109.8	S160 M164	S160-N162 VanDerWaalsContact C-N 3.28Å; S160-N162 PolarHBondContact OG-N 3.12Å; S160-N162 VanDerWaalsContact OG-N 3.09Å; S160-N162 PolarHBondContact OG-O 2.93Å; N162-M164 PolarHBondContact O-N 2.96Å
163	P	97.6	Very high	97.3	Very high	42 Å²	42	57.4 Å²	57.4	27%	0.273	29%	0.294	S	S	.	.			trans	-63.3	134.7	173.5	28.2	-33.4	0	0	0	109.4	K154 F155 W156 M165 V166	K154-P163 HydrophobicContact CB-CB 4.22Å; K154-P163 HydrophobicContact CD-CB 4.45Å; K154-P163 HydrophobicContact CD-CG 4.47Å; K154-P163 HydrophobicContact CG-CB 4.48Å; F155-P163 CarbonylContact O-C 3.58Å; F155-P163 VanDerWaalsContact O-CA 3.27Å; F155-P163 WeakPolarHBondContact O-CA 3.44Å; W156-P163 HydrophobicContact CD2-CB 4.35Å; W156-P163 HydrophobicContact CE3-CB 4.03Å; W156-P163 HydrophobicContact CH2-CB 3.99Å; W156-P163 HydrophobicContact CH2-CG 4.27Å; W156-P163 HydrophobicContact CZ2-CB 4.31Å; W156-P163 HydrophobicContact CZ3-CB 3.84Å; W156-P163 HydrophobicContact CZ3-CG 4.23Å; P163-M165 PolarHBondContact O-N 3.2Å; P163-V166 HydrophobicContact CB-CG2 4.02Å; P163-V166 HydrophobicContact CG-CG2 3.67Å
164	M	96.5	Very high	97.3	Very high	103 Å²	103	59.3 Å²	59.3	51%	0.507	30%	0.302	S	S	.	.	S	Bend	trans	-69.5	-22.7	174.7	67.9	-176.1	-69.8	0	0	111.7	C143 F155 D157 N162	C143-M164 HydrophobicContact CB-SD 3.63Å; F155-M164 HydrophobicContact CB-CG 3.78Å; F155-M164 HydrophobicContact CB-SD 4.35Å; F155-M164 WeakPolarHBondContact O-CG 3.49Å; F155-M164 PolarHBondContact O-N 3.08Å; D157-M164 HydrophobicContact CB-SD 4.46Å; N162-M164 PolarHBondContact O-N 2.96Å
165	M	97.3	Very high	97.3	Very high	38 Å²	38	58.4 Å²	58.4	19%	0.187	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	149.9	175.7	-171.7	168.9	64.3	0	0	110.9	F155 P163 L167 P201	F155-M165 HydrophobicContact CB-CB 4.24Å; F155-M165 HydrophobicContact CD1-CE 4.5Å; F155-M165 HydrophobicContact CD2-CB 3.99Å; F155-M165 HydrophobicContact CD2-CE 3.47Å; F155-M165 VanDerWaalsContact CD2-CE 3.47Å; F155-M165 HydrophobicContact CD2-CG 4.35Å; F155-M165 HydrophobicContact CE2-CE 3.51Å; F155-M165 HydrophobicContact CG-CB 4.44Å; F155-M165 HydrophobicContact CG-CE 4Å; F155-M165 HydrophobicContact CZ-CE 4.05Å; F155-M165 PolarHBondContact N-O 3.01Å; P163-M165 PolarHBondContact O-N 3.2Å; M165-L167 HydrophobicContact CE-CD1 4.32Å; M165-L167 HydrophobicContact CE-CG 4.39Å; M165-L167 HydrophobicContact SD-CD2 4.47Å; M165-P201 HydrophobicContact CE-CB 3.4Å; M165-P201 VanDerWaalsContact CE-CB 3.4Å; M165-P201 HydrophobicContact CE-CG 3.39Å; M165-P201 VanDerWaalsContact CE-O 3.28Å; M165-P201 WeakPolarHBondContact CE-O 3.44Å
166	V	98.4	Very high	97.4	Very high	66 Å²	66	58.8 Å²	58.8	40%	0.4	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129	174.7	-175	0	0	0	0	108.7	T152 L153 K154 P163	T152-V166 HydrophobicContact CG2-CG1 4.38Å; L153-V166 WeakPolarHBondContact O-CA 3.2Å; K154-V166 HydrophobicContact CG-CG1 4.2Å; K154-V166 HydrophobicContact CG-CG2 4.16Å; P163-V166 HydrophobicContact CB-CG2 4.02Å; P163-V166 HydrophobicContact CG-CG2 3.67Å
167	L	98.6	Very high	97.4	Very high	38 Å²	38	60.2 Å²	60.2	20%	0.199	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.2	171.8	-61.6	178.1	0	0	0	109.7	T152 L153 F155 M165 Y195	T152-L167 WeakPolarHBondContact CA-O 3.34Å; L153-L167 HydrophobicContact CB-CB 4.24Å; L153-L167 PolarHBondContact N-O 3.08Å; L153-L167 PolarHBondContact O-N 2.8Å; F155-L167 HydrophobicContact CE2-CD1 3.82Å; F155-L167 HydrophobicContact CE2-CG 4.04Å; F155-L167 HydrophobicContact CZ-CD1 4.19Å; M165-L167 HydrophobicContact CE-CD1 4.32Å; M165-L167 HydrophobicContact CE-CG 4.39Å; M165-L167 HydrophobicContact SD-CD2 4.47Å; L167-Y195 HydrophobicContact CD1-CD1 3.95Å; L167-Y195 HydrophobicContact CD1-CE1 3.72Å
168	Q	98.6	Very high	97.5	Very high	133 Å²	133	59.2 Å²	59.2	62%	0.621	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	136	177.2	-68	-63.1	-20.8	0	0	110.8	K151	K151-Q168 PolarHBondContact O-OE1 3.26Å
169	L	98.8	Very high	97.6	Very high	10 Å²	10	60.3 Å²	60.3	5%	0.052	31%	0.309	C	S	.	.			trans	-101.3	150.9	171.2	-66.1	172.9	0	0	0	110	K151 L153 E171 C173 V185 T187 I193 Y195	K151-L169 WeakPolarHBondContact O-CA 3.41Å; K151-L169 WeakPolarHBondContact O-CB 3.31Å; K151-L169 PolarHBondContact O-N 3.35Å; L153-L169 HydrophobicContact CD1-CD2 3.82Å; L153-L169 HydrophobicContact CD1-CG 4.43Å; L153-L169 HydrophobicContact CG-CD1 4.06Å; L153-L169 HydrophobicContact CG-CD2 4.03Å; L153-L169 HydrophobicContact CG-CG 4.12Å; L169-E171 WeakPolarHBondContact CB-O 3.43Å; L169-E171 PolarHBondContact O-N 3.35Å; L169-C173 HydrophobicContact CD1-CB 3.79Å; L169-V185 HydrophobicContact CD1-CG1 4.3Å; L169-V185 HydrophobicContact CD2-CG1 4.02Å; L169-T187 HydrophobicContact CB-CG2 4.24Å; L169-T187 HydrophobicContact CD1-CG2 4.32Å; L169-T187 HydrophobicContact CD2-CG2 4.22Å; L169-I193 HydrophobicContact CD2-CD1 4.26Å; L169-Y195 WeakPolarHBondContact CD2-OH 3.43Å
170	P	98.4	Very high	97.8	Very high	64 Å²	64	53.9 Å²	53.9	42%	0.416	29%	0.286	S	S	.	.	S	Bend	trans	-67	-24.8	176.4	28	-35.6	0	0	0	112.7	T187 I193	P170-T187 HydrophobicContact CG-CG2 4.29Å; P170-I193 HydrophobicContact CG-CD1 3.97Å
171	E	98.8	Very high	98	Very high	34 Å²	34	53.4 Å²	53.4	16%	0.159	28%	0.282	C	S	.	.	S	Bend	trans	-157.5	178.2	-176.3	-112.1	-53.6	131	0	0	110.9	K151 L169 C173 A188 E189	K151-E171 WeakPolarHBondContact CE-OE1 3.46Å; K151-E171 IonicContact NZ-OE1 3.81Å; K151-E171 PolarHBondContact NZ-OE1 3.39Å; L169-E171 WeakPolarHBondContact CB-O 3.43Å; L169-E171 PolarHBondContact O-N 3.35Å; E171-C173 PolarHBondContact O-N 3.48Å; E171-A188 HydrophobicContact CB-CB 3.95Å; E171-A188 WeakPolarHBondContact CB-O 3.24Å; E171-A188 HydrophobicContact CG-CB 4Å; E171-A188 WeakPolarHBondContact OE2-CB 3.33Å; E171-E189 HydrophobicContact CG-CB 4.22Å; E171-E189 HydrophobicContact CG-CG 3.96Å
172	R	98.9	Very high	98.3	Very high	102 Å²	102	49.4 Å²	49.4	39%	0.385	25%	0.252	S	S	.	.			trans	-51.6	131.5	177.1	-70.6	166.7	-72.2	173.9	-0.4	111.7	W149 Y174 T187 A188	W149-R172 HydrophobicContact CB-CB 4.31Å; W149-R172 HydrophobicContact CB-CG 4.01Å; W149-R172 HydrophobicContact CG-CB 4.35Å; W149-R172 HydrophobicContact CG-CG 4.44Å; W149-R172 WeakPolarHBondContact O-CG 3.41Å; R172-Y174 HydrophobicContact CB-CD1 4.36Å; R172-Y174 HydrophobicContact CB-CE1 4.06Å; R172-Y174 PolarHBondContact O-N 3.48Å; R172-T187 CarbonylContact O-C 3.59Å; R172-T187 WeakPolarHBondContact O-CA 3.33Å; R172-T187 VanDerWaalsContact O-CB 3.3Å; R172-T187 WeakPolarHBondContact O-CB 3.47Å; R172-A188 HydrophobicContact CB-CB 4.2Å; R172-A188 PolarHBondContact O-N 2.99Å
173	C	98.9	Very high	98.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	123.6	174.5	-174.1	0	0	0	0	111	K131 S148 W149 L169 E171	K131-C173 WeakPolarHBondContact CG-O 3.33Å; S148-C173 VanDerWaalsContact O-CB 3.28Å; S148-C173 WeakPolarHBondContact O-CB 3.39Å; S148-C173 PolarHBondContact O-N 3.48Å; S148-C173 VanDerWaalsContact O-N 3.08Å; W149-C173 PolarHBondContact NE1-O 3.23Å; W149-C173 VanDerWaalsContact NE1-O 3.08Å; L169-C173 HydrophobicContact CD1-CB 3.79Å; E171-C173 PolarHBondContact O-N 3.48Å
174	Y	98.9	Very high	98.5	Very high	41 Å²	41	42.1 Å²	42.1	16%	0.161	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-44.6	179.7	-81.1	3.7	0	0	0	112.7	K131 R172 A186 A188 Q214 H215	K131-Y174 WeakPolarHBondContact CE-O 3.46Å; K131-Y174 VanDerWaalsContact CG-O 3.3Å; K131-Y174 WeakPolarHBondContact CG-O 3.46Å; R172-Y174 HydrophobicContact CB-CD1 4.36Å; R172-Y174 HydrophobicContact CB-CE1 4.06Å; R172-Y174 PolarHBondContact O-N 3.48Å; Y174-A186 PolarHBondContact N-O 2.88Å; Y174-A188 HydrophobicContact CD1-CB 4.43Å; Y174-A188 HydrophobicContact CE1-CB 3.78Å; Y174-A188 HydrophobicContact CE2-CB 3.86Å; Y174-A188 VanDerWaalsContact CZ-CB 3.47Å; Y174-Q214 HydrophobicContact CD2-CG 4.07Å; Y174-Q214 HydrophobicContact CE2-CG 3.55Å; Y174-Q214 PolarHBondContact OH-NE2 2.86Å; Y174-H215 WeakPolarHBondContact CD2-O 3.12Å
175	C	98.9	Very high	98.6	Very high	10 Å²	10	37.2 Å²	37.2	7%	0.068	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	160.2	173	55.4	0	0	0	0	110.7	A186 C217 V218	C175-A186 PolarHBondContact N-O 3.29Å; C175-A186 PolarHBondContact O-N 3.44Å; C175-C217 VanDerWaalsContact SG-C 3.56Å; C175-C217 WeakPolarHBondContact SG-CA 3.35Å; C175-V218 HydrophobicContact CB-CG1 4.37Å
176	A	98.9	Very high	98.7	Very high	10 Å²	10	35.4 Å²	35.4	8%	0.083	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	161.3	178.5	0	0	0	0	0	109.4	T132 H134 M145 V184 V185	T132-A176 HydrophobicContact CG2-CB 3.95Å; H134-A176 PolarHBondContact CE1-O 2.72Å; H134-A176 PolarHBondContact NE2-O 2.97Å; M145-A176 HydrophobicContact CE-CB 4.35Å; A176-V184 CarbonylContact C-O 3.53Å; A176-V184 WeakPolarHBondContact CA-O 3.31Å; A176-V184 WeakPolarHBondContact CB-O 3.29Å; A176-V185 HydrophobicContact CB-CG2 3.99Å
177	D	98.9	Very high	98.7	Very high	33 Å²	33	32.3 Å²	32.3	18%	0.176	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	155.6	167.5	-170.3	19.4	0	0	0	110.1	A183 V184 V218 A219 I220	D177-A183 WeakPolarHBondContact O-CA 3.41Å; D177-V184 PolarHBondContact N-O 2.93Å; D177-V184 PolarHBondContact O-N 3.42Å; D177-V218 HydrophobicContact CB-CG1 4.19Å; D177-A219 VanDerWaalsContact OD2-CA 3.29Å; D177-A219 WeakPolarHBondContact OD2-CA 3.3Å; D177-I220 HydrophobicContact CB-CD1 4.32Å; D177-I220 HydrophobicContact CB-CG1 4.15Å; D177-I220 WeakPolarHBondContact O-CD1 3.48Å; D177-I220 PolarHBondContact OD2-N 3.17Å
178	V	98.8	Very high	98.7	Very high	20 Å²	20	30.6 Å²	30.6	12%	0.121	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	122	-174.7	176	0	0	0	0	110.5	H134 I136 M145 A183 L197	H134-V178 HydrophobicContact CB-CB 3.98Å; H134-V178 HydrophobicContact CB-CG2 3.49Å; H134-V178 VanDerWaalsContact CB-CG2 3.49Å; I136-V178 HydrophobicContact CG1-CG1 3.95Å; M145-V178 HydrophobicContact CE-CG2 3.39Å; M145-V178 HydrophobicContact SD-CG2 4.35Å; V178-A183 HydrophobicContact CG2-CB 3.91Å; V178-L197 HydrophobicContact CG1-CD1 3.97Å
179	I	98.4	Very high	98.7	Very high	52 Å²	52	31.5 Å²	31.5	27%	0.267	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	110.7	162.7	-56	-177	0	0	0	106.7	M182 I220 K222 P228	I179-M182 CarbonylContact C-O 3.58Å; I179-M182 PolarHBondContact N-O 3.27Å; I179-M182 CarbonylContact O-C 3.5Å; I179-M182 WeakPolarHBondContact O-CA 3.38Å; I179-M182 PolarHBondContact O-N 3.21Å; I179-I220 HydrophobicContact CB-CG2 4.1Å; I179-I220 HydrophobicContact CD1-CB 3.85Å; I179-I220 HydrophobicContact CD1-CG2 3.82Å; I179-I220 HydrophobicContact CG1-CB 4.01Å; I179-I220 HydrophobicContact CG1-CG2 4.07Å; I179-K222 HydrophobicContact CD1-CG 4.47Å; I179-P228 HydrophobicContact CB-CG 4.06Å; I179-P228 HydrophobicContact CG2-CG 3.75Å; I179-P228 WeakPolarHBondContact O-CG 3.33Å
180	Y	98.3	Very high	98.7	Very high	78 Å²	78	35.9 Å²	35.9	31%	0.306	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	132.2	-176.2	-179.2	-91.1	0	0	0	111.6	A138 P139 L197 P228	A138-Y180 HydrophobicContact CB-CD2 3.87Å; A138-Y180 HydrophobicContact CB-CE2 3.47Å; A138-Y180 VanDerWaalsContact CB-CE2 3.47Å; P139-Y180 VanDerWaalsContact CD-CZ 3.43Å; P139-Y180 VanDerWaalsContact CD-OH 3.3Å; P139-Y180 WeakPolarHBondContact CD-OH 3.34Å; P139-Y180 HydrophobicContact CG-CE1 4.3Å; Y180-L197 HydrophobicContact CD2-CB 3.88Å; Y180-L197 HydrophobicContact CD2-CD1 4.48Å; Y180-L197 HydrophobicContact CE2-CB 4.04Å; Y180-P228 WeakPolarHBondContact O-CG 3.22Å
181	P	98.1	Very high	98.7	Very high	36 Å²	36	33.7 Å²	33.7	23%	0.234	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	cis	-97.7	22.6	9.6	39	-37.1	0	0	0	115.7	Q196 L197 E198	P181-Q196 CarbonylContact O-C 3.59Å; P181-Q196 WeakPolarHBondContact O-CA 3.31Å; P181-L197 WeakPolarHBondContact O-CB 3.39Å; P181-L197 WeakPolarHBondContact O-CG 3.37Å; P181-L197 PolarHBondContact O-N 3.26Å; P181-E198 HydrophobicContact CB-CG 3.88Å; P181-E198 WeakPolarHBondContact CB-OE1 3.46Å; P181-E198 WeakPolarHBondContact CG-OE1 3.42Å
182	M	98.7	Very high	98.7	Very high	17 Å²	17	32.2 Å²	32.2	8%	0.084	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.3	-173.6	-178.8	174.4	158.1	0	0	111.9	I179 V184 V194 Y195 I220 P228 F231 I245	I179-M182 CarbonylContact C-O 3.58Å; I179-M182 PolarHBondContact N-O 3.27Å; I179-M182 CarbonylContact O-C 3.5Å; I179-M182 WeakPolarHBondContact O-CA 3.38Å; I179-M182 PolarHBondContact O-N 3.21Å; M182-V184 HydrophobicContact CE-CG2 3.3Å; M182-V194 HydrophobicContact CE-CG1 3.99Å; M182-V194 HydrophobicContact CG-CG1 4.02Å; M182-V194 HydrophobicContact SD-CG1 4.37Å; M182-Y195 WeakPolarHBondContact CA-O 3.34Å; M182-I220 HydrophobicContact CE-CG1 4.41Å; M182-I220 HydrophobicContact CG-CD1 4.22Å; M182-I220 WeakPolarHBondContact O-CD1 3.47Å; M182-P228 HydrophobicContact CB-CB 3.78Å; M182-P228 HydrophobicContact CB-CG 4.33Å; M182-P228 HydrophobicContact SD-CB 4.07Å; M182-F231 HydrophobicContact CE-CD1 3.81Å; M182-I245 HydrophobicContact CE-CD1 3.65Å; M182-I245 HydrophobicContact CE-CG1 3.7Å; M182-I245 HydrophobicContact SD-CD1 4.47Å; M182-I245 HydrophobicContact SD-CG1 3.95Å
183	A	98.9	Very high	98.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149.4	163.3	0	0	0	0	0	110.5	M145 D177 V178 V194 Y195 L197	M145-A183 HydrophobicContact CE-CB 4.48Å; M145-A183 HydrophobicContact SD-CB 4.49Å; D177-A183 WeakPolarHBondContact O-CA 3.41Å; V178-A183 HydrophobicContact CG2-CB 3.91Å; A183-V194 WeakPolarHBondContact O-CA 3.21Å; A183-Y195 PolarHBondContact N-O 3.3Å; A183-Y195 VanDerWaalsContact N-O 3.08Å; A183-Y195 PolarHBondContact O-N 2.97Å; A183-L197 HydrophobicContact CB-CD1 4.28Å; A183-L197 HydrophobicContact CB-CD2 4.25Å
184	V	98.9	Very high	98.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.4	175.2	-174.4	0	0	0	0	108.5	A176 D177 M182 L192 I193 V194 V218 I220 F231	A176-V184 CarbonylContact C-O 3.53Å; A176-V184 WeakPolarHBondContact CA-O 3.31Å; A176-V184 WeakPolarHBondContact CB-O 3.29Å; D177-V184 PolarHBondContact N-O 2.93Å; D177-V184 PolarHBondContact O-N 3.42Å; M182-V184 HydrophobicContact CE-CG2 3.3Å; V184-L192 HydrophobicContact CG1-CD1 3.84Å; V184-I193 WeakPolarHBondContact CA-O 3.49Å; V184-V194 HydrophobicContact CG2-CG2 4.38Å; V184-V218 HydrophobicContact CB-CG2 4.27Å; V184-V218 HydrophobicContact CG1-CG2 3.9Å; V184-I220 HydrophobicContact CB-CG1 4.5Å; V184-I220 HydrophobicContact CG2-CD1 3.98Å; V184-I220 HydrophobicContact CG2-CG1 3.82Å; V184-F231 HydrophobicContact CG1-CD1 4.15Å; V184-F231 HydrophobicContact CG1-CD2 4.39Å; V184-F231 HydrophobicContact CG1-CE1 4.36Å; V184-F231 HydrophobicContact CG1-CG 4.17Å; V184-F231 HydrophobicContact CG2-CB 4.15Å; V184-F231 HydrophobicContact CG2-CD1 3.7Å; V184-F231 HydrophobicContact CG2-CE1 4.4Å; V184-F231 HydrophobicContact CG2-CG 4.06Å
185	V	98.9	Very high	98.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.2	176.9	-176.8	0	0	0	0	109.7	L153 L169 A176 T187 L192 I193 Y195	L153-V185 HydrophobicContact CD1-CG2 3.95Å; L153-V185 HydrophobicContact CD2-CG2 4.13Å; L169-V185 HydrophobicContact CD1-CG1 4.3Å; L169-V185 HydrophobicContact CD2-CG1 4.02Å; A176-V185 HydrophobicContact CB-CG2 3.99Å; V185-T187 HydrophobicContact CG1-CG2 4.36Å; V185-L192 WeakPolarHBondContact O-CA 3.49Å; V185-I193 PolarHBondContact N-O 2.87Å; V185-I193 PolarHBondContact O-N 2.85Å; V185-Y195 HydrophobicContact CB-CE2 4.02Å; V185-Y195 HydrophobicContact CG2-CD2 4.11Å; V185-Y195 HydrophobicContact CG2-CE2 3.75Å
186	A	98.9	Very high	98.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.2	171.6	0	0	0	0	0	109.8	Y174 C175 G191 L192 H215 L233	Y174-A186 PolarHBondContact N-O 2.88Å; C175-A186 PolarHBondContact N-O 3.29Å; C175-A186 PolarHBondContact O-N 3.44Å; A186-G191 VanDerWaalsContact CA-O 3.32Å; A186-G191 WeakPolarHBondContact CA-O 3.43Å; A186-L192 HydrophobicContact CB-CD1 4.34Å; A186-H215 HydrophobicContact CB-CB 3.9Å; A186-L233 HydrophobicContact CB-CD1 4.12Å
187	T	98.9	Very high	98.7	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	173.1	-178.6	67.6	0	0	0	0	111.6	L169 P170 R172 V185 G191	L169-T187 HydrophobicContact CB-CG2 4.24Å; L169-T187 HydrophobicContact CD1-CG2 4.32Å; L169-T187 HydrophobicContact CD2-CG2 4.22Å; P170-T187 HydrophobicContact CG-CG2 4.29Å; R172-T187 CarbonylContact O-C 3.59Å; R172-T187 WeakPolarHBondContact O-CA 3.33Å; R172-T187 VanDerWaalsContact O-CB 3.3Å; R172-T187 WeakPolarHBondContact O-CB 3.47Å; V185-T187 HydrophobicContact CG1-CG2 4.36Å; T187-G191 PolarHBondContact N-O 2.93Å; T187-G191 VanDerWaalsContact OG1-CA 3.23Å; T187-G191 WeakPolarHBondContact OG1-CA 3.49Å; T187-G191 PolarHBondContact OG1-N 3Å
188	A	98.7	Very high	98.6	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.008	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-55.2	165.4	160.7	0	0	0	0	0	111.1	E171 R172 Y174 R190 G191	E171-A188 HydrophobicContact CB-CB 3.95Å; E171-A188 WeakPolarHBondContact CB-O 3.24Å; E171-A188 HydrophobicContact CG-CB 4Å; E171-A188 WeakPolarHBondContact OE2-CB 3.33Å; R172-A188 HydrophobicContact CB-CB 4.2Å; R172-A188 PolarHBondContact O-N 2.99Å; Y174-A188 HydrophobicContact CD1-CB 4.43Å; Y174-A188 HydrophobicContact CE1-CB 3.78Å; Y174-A188 HydrophobicContact CE2-CB 3.86Å; Y174-A188 VanDerWaalsContact CZ-CB 3.47Å; A188-R190 PolarHBondContact O-N 3.48Å; A188-R190 VanDerWaalsContact O-N 3.15Å; A188-G191 PolarHBondContact O-N 3.11Å
189	E	98.3	Very high	98.4	Very high	152 Å²	152	35.3 Å²	35.3	71%	0.71	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	55.9	26.1	-173	-59.3	-51.4	122.3	0	0	114.4	E171 G191	E171-E189 HydrophobicContact CG-CB 4.22Å; E171-E189 HydrophobicContact CG-CG 3.96Å; E189-G191 PolarHBondContact O-N 2.77Å
190	R	98.6	Very high	98.2	Very high	102 Å²	102	39 Å²	39	39%	0.385	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	58.4	28.8	179	-54.2	178.2	-62.7	106.2	8.6	113.4	A188 L211 H215	A188-R190 PolarHBondContact O-N 3.48Å; A188-R190 VanDerWaalsContact O-N 3.15Å; R190-L211 PolarHBondContact NH1-O 3Å; R190-H215 WeakPolarHBondContact CA-CE1 3.45Å; R190-H215 PolarHBondContact O-CE1 2.68Å
191	G	98.7	Very high	98.1	Very high	18 Å²	18	35.6 Å²	35.6	19%	0.186	18%	0.175	C	C	.	.			trans	-64.9	142	169.6	0	0	0	0	0	111	A186 T187 A188 E189 H215	A186-G191 VanDerWaalsContact CA-O 3.32Å; A186-G191 WeakPolarHBondContact CA-O 3.43Å; T187-G191 PolarHBondContact N-O 2.93Å; T187-G191 VanDerWaalsContact OG1-CA 3.23Å; T187-G191 WeakPolarHBondContact OG1-CA 3.49Å; T187-G191 PolarHBondContact OG1-N 3Å; A188-G191 PolarHBondContact O-N 3.11Å; E189-G191 PolarHBondContact O-N 2.77Å; G191-H215 PolarHBondContact O-CE1 3.04Å; G191-H215 PolarHBondContact O-ND1 2.69Å
192	L	98.8	Very high	98.1	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	117	-177.8	-175.9	62	0	0	0	109.3	V184 V185 A186 I207 F231 L233	V184-L192 HydrophobicContact CG1-CD1 3.84Å; V185-L192 WeakPolarHBondContact O-CA 3.49Å; A186-L192 HydrophobicContact CB-CD1 4.34Å; L192-I207 HydrophobicContact CB-CB 4.4Å; L192-I207 HydrophobicContact CD2-CB 4.01Å; L192-I207 HydrophobicContact CD2-CG2 3.87Å; L192-I207 HydrophobicContact CG-CB 4.15Å; L192-I207 PolarHBondContact O-N 3.46Å; L192-F231 HydrophobicContact CD1-CE2 4.16Å; L192-F231 HydrophobicContact CD1-CZ 4.31Å; L192-F231 HydrophobicContact CD2-CE2 3.84Å; L192-F231 HydrophobicContact CD2-CZ 3.78Å; L192-F231 HydrophobicContact CG-CE2 4.43Å; L192-F231 HydrophobicContact CG-CZ 4.23Å; L192-L233 HydrophobicContact CD1-CD1 4.45Å; L192-L233 HydrophobicContact CD1-CD2 4.27Å; L192-L233 HydrophobicContact CD2-CD2 4Å
193	I	98.9	Very high	98.1	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.5	-172	-49.7	176.9	0	0	0	109	L169 P170 V184 V185 Y195 E203 R206	L169-I193 HydrophobicContact CD2-CD1 4.26Å; P170-I193 HydrophobicContact CG-CD1 3.97Å; V184-I193 WeakPolarHBondContact CA-O 3.49Å; V185-I193 PolarHBondContact N-O 2.87Å; V185-I193 PolarHBondContact O-N 2.85Å; I193-Y195 HydrophobicContact CB-CE2 3.79Å; I193-Y195 HydrophobicContact CG2-CD2 4.13Å; I193-Y195 HydrophobicContact CG2-CE1 4.23Å; I193-Y195 HydrophobicContact CG2-CE2 3.5Å; I193-E203 HydrophobicContact CG2-CG 3.75Å; I193-R206 HydrophobicContact CG1-CG 4.4Å
194	V	98.8	Very high	98	Very high	2 Å²	2	43 Å²	43	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.6	171.8	-177	0	0	0	0	108.3	M182 A183 V184 F204 R205 I207 F231 I245	M182-V194 HydrophobicContact CE-CG1 3.99Å; M182-V194 HydrophobicContact CG-CG1 4.02Å; M182-V194 HydrophobicContact SD-CG1 4.37Å; A183-V194 WeakPolarHBondContact O-CA 3.21Å; V184-V194 HydrophobicContact CG2-CG2 4.38Å; V194-F204 HydrophobicContact CB-CD1 4.28Å; V194-F204 HydrophobicContact CG1-CB 4.42Å; V194-F204 HydrophobicContact CG1-CD1 3.91Å; V194-F204 WeakPolarHBondContact O-CA 3.26Å; V194-F204 WeakPolarHBondContact O-CB 3.42Å; V194-F204 PolarHBondContact O-N 2.71Å; V194-R205 PolarHBondContact N-O 2.96Å; V194-R205 PolarHBondContact O-N 2.78Å; V194-R205 VanDerWaalsContact O-N 3.08Å; V194-I207 HydrophobicContact CG2-CD1 3.55Å; V194-I207 HydrophobicContact CG2-CG1 4.42Å; V194-F231 HydrophobicContact CG2-CE1 3.99Å; V194-I245 HydrophobicContact CG1-CD1 4.26Å; V194-I245 HydrophobicContact CG2-CD1 3.85Å
195	Y	98.8	Very high	98	Very high	6 Å²	6	47.1 Å²	47.1	2%	0.024	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	147.4	177.6	-62.8	-95.2	0	0	0	110.3	L153 L167 L169 M182 A183 V185 I193 S202 E203	L153-Y195 HydrophobicContact CD1-CD2 4.48Å; L153-Y195 HydrophobicContact CD1-CE1 4.09Å; L153-Y195 HydrophobicContact CD1-CE2 3.73Å; L167-Y195 HydrophobicContact CD1-CD1 3.95Å; L167-Y195 HydrophobicContact CD1-CE1 3.72Å; L169-Y195 WeakPolarHBondContact CD2-OH 3.43Å; M182-Y195 WeakPolarHBondContact CA-O 3.34Å; A183-Y195 PolarHBondContact N-O 3.3Å; A183-Y195 VanDerWaalsContact N-O 3.08Å; A183-Y195 PolarHBondContact O-N 2.97Å; V185-Y195 HydrophobicContact CB-CE2 4.02Å; V185-Y195 HydrophobicContact CG2-CD2 4.11Å; V185-Y195 HydrophobicContact CG2-CE2 3.75Å; I193-Y195 HydrophobicContact CB-CE2 3.79Å; I193-Y195 HydrophobicContact CG2-CD2 4.13Å; I193-Y195 HydrophobicContact CG2-CE1 4.23Å; I193-Y195 HydrophobicContact CG2-CE2 3.5Å; Y195-S202 CarbonylContact C-O 3.59Å; Y195-S202 VanDerWaalsContact CA-O 3.25Å; Y195-S202 WeakPolarHBondContact CA-O 3.15Å; Y195-S202 WeakPolarHBondContact CB-O 3.32Å; Y195-S202 WeakPolarHBondContact CD1-O 3.2Å; Y195-E203 HydrophobicContact CD1-CB 4.34Å; Y195-E203 HydrophobicContact CE1-CB 4.17Å
196	Q	98.2	Very high	98	Very high	71 Å²	71	53.5 Å²	53.5	33%	0.332	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	145.1	166	59.8	177.6	68.8	0	0	108.8	P181 E198 P201 S202 F204	P181-Q196 CarbonylContact O-C 3.59Å; P181-Q196 WeakPolarHBondContact O-CA 3.31Å; Q196-E198 WeakPolarHBondContact CB-OE2 3.1Å; Q196-P201 WeakPolarHBondContact O-CA 3.35Å; Q196-S202 WeakPolarHBondContact CG-OG 3.45Å; Q196-S202 PolarHBondContact N-O 2.89Å; Q196-S202 PolarHBondContact NE2-OG 2.92Å; Q196-S202 PolarHBondContact O-N 2.92Å; Q196-F204 HydrophobicContact CB-CB 4.25Å; Q196-F204 HydrophobicContact CG-CB 4.35Å
197	L	98.2	Very high	97.9	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	25%	0.253	C	S	.	.			trans	-117.2	-2.3	-171.4	-57.7	179.5	0	0	0	113.2	I136 Y141 V178 Y180 P181 A183 P201	I136-L197 HydrophobicContact CD1-CD1 4.38Å; I136-L197 HydrophobicContact CD1-CD2 4.17Å; I136-L197 HydrophobicContact CG1-CD1 4.38Å; I136-L197 HydrophobicContact CG2-CD1 4.26Å; Y141-L197 WeakPolarHBondContact CE1-O 3.49Å; Y141-L197 PolarHBondContact OH-O 2.87Å; V178-L197 HydrophobicContact CG1-CD1 3.97Å; Y180-L197 HydrophobicContact CD2-CB 3.88Å; Y180-L197 HydrophobicContact CD2-CD1 4.48Å; Y180-L197 HydrophobicContact CE2-CB 4.04Å; P181-L197 WeakPolarHBondContact O-CB 3.39Å; P181-L197 WeakPolarHBondContact O-CG 3.37Å; P181-L197 PolarHBondContact O-N 3.26Å; A183-L197 HydrophobicContact CB-CD1 4.28Å; A183-L197 HydrophobicContact CB-CD2 4.25Å; L197-P201 HydrophobicContact CD2-CB 3.78Å; L197-P201 HydrophobicContact CD2-CG 4.18Å
198	E	97.2	Very high	97.9	Very high	70 Å²	70	62.9 Å²	62.9	33%	0.327	29%	0.293	S	S	.	.	S	Bend	trans	-66.1	136.3	175.3	-60.1	91.5	156.7	0	0	111.7	P181 Q196 Q200	P181-E198 HydrophobicContact CB-CG 3.88Å; P181-E198 WeakPolarHBondContact CB-OE1 3.46Å; P181-E198 WeakPolarHBondContact CG-OE1 3.42Å; Q196-E198 WeakPolarHBondContact CB-OE2 3.1Å; E198-Q200 PolarHBondContact O-N 2.85Å
199	N	94.4	Very high	97.9	Very high	129 Å²	129	63.4 Å²	63.4	69%	0.69	30%	0.296	S	S	*	.	S	Bend	trans	66.2	-67.5	-177.2	-49.1	-59.7	0	0	0	113.2	N140	N140-N199 WeakPolarHBondContact ND2-CA 3.47Å; N140-N199 PolarHBondContact ND2-O 3.46Å
200	Q	94.9	Very high	97.9	Very high	130 Å²	130	58.6 Å²	58.6	61%	0.607	28%	0.278	S	S	*	.	S	Bend	trans	-144.6	145.3	172.1	63.7	179.2	60.6	0	0	109	E198 S202	E198-Q200 PolarHBondContact O-N 2.85Å; Q200-S202 PolarHBondContact O-N 2.65Å
201	P	97	Very high	97.9	Very high	7 Å²	7	53.8 Å²	53.8	5%	0.045	26%	0.26	C	S	.	.			trans	-59	130.9	176.5	-15.7	22.1	0	0	0	112.3	Y141 F155 M165 Q196 L197	Y141-P201 HydrophobicContact CE2-CG 4.42Å; Y141-P201 WeakPolarHBondContact OH-CD 3.45Å; Y141-P201 WeakPolarHBondContact OH-CG 3.41Å; F155-P201 HydrophobicContact CD1-CB 4.43Å; F155-P201 HydrophobicContact CD1-CG 3.77Å; F155-P201 HydrophobicContact CE1-CB 3.65Å; F155-P201 HydrophobicContact CE1-CG 3.42Å; F155-P201 VanDerWaalsContact CE1-CG 3.42Å; F155-P201 HydrophobicContact CE2-CB 4.21Å; F155-P201 HydrophobicContact CE2-CG 4.42Å; F155-P201 HydrophobicContact CG-CG 4.38Å; F155-P201 HydrophobicContact CZ-CB 3.52Å; F155-P201 HydrophobicContact CZ-CG 3.8Å; M165-P201 HydrophobicContact CE-CB 3.4Å; M165-P201 VanDerWaalsContact CE-CB 3.4Å; M165-P201 HydrophobicContact CE-CG 3.39Å; M165-P201 VanDerWaalsContact CE-O 3.28Å; M165-P201 WeakPolarHBondContact CE-O 3.44Å; Q196-P201 WeakPolarHBondContact O-CA 3.35Å; L197-P201 HydrophobicContact CD2-CB 3.78Å; L197-P201 HydrophobicContact CD2-CG 4.18Å
202	S	97.7	Very high	97.8	Very high	34 Å²	34	61.7 Å²	61.7	24%	0.238	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	156.4	177.6	64.9	0	0	0	0	111.4	Y195 Q196 Q200 F204	Y195-S202 CarbonylContact C-O 3.59Å; Y195-S202 VanDerWaalsContact CA-O 3.25Å; Y195-S202 WeakPolarHBondContact CA-O 3.15Å; Y195-S202 WeakPolarHBondContact CB-O 3.32Å; Y195-S202 WeakPolarHBondContact CD1-O 3.2Å; Q196-S202 WeakPolarHBondContact CG-OG 3.45Å; Q196-S202 PolarHBondContact N-O 2.89Å; Q196-S202 PolarHBondContact NE2-OG 2.92Å; Q196-S202 PolarHBondContact O-N 2.92Å; Q200-S202 PolarHBondContact O-N 2.65Å; S202-F204 PolarHBondContact O-N 3.29Å
203	E	98.4	Very high	97.8	Very high	83 Å²	83	65.4 Å²	65.4	39%	0.388	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	126.4	177.6	-174.6	174.3	124.1	0	0	110.2	I193 Y195 R206	I193-E203 HydrophobicContact CG2-CG 3.75Å; Y195-E203 HydrophobicContact CD1-CB 4.34Å; Y195-E203 HydrophobicContact CE1-CB 4.17Å; E203-R206 WeakPolarHBondContact OE1-CD 3.27Å; E203-R206 WeakPolarHBondContact OE1-CG 3.29Å; E203-R206 IonicContact OE1-CZ 3.76Å; E203-R206 IonicContact OE1-NE 3.78Å; E203-R206 PolarHBondContact OE1-NE 2.89Å; E203-R206 IonicContact OE1-NH2 2.8Å; E203-R206 IonicContact OE2-CZ 2.73Å; E203-R206 IonicContact OE2-NE 3.11Å; E203-R206 PolarHBondContact OE2-NE 2.91Å; E203-R206 IonicContact OE2-NH2 2.75Å; E203-R206 PolarHBondContact OE2-NH2 2.91Å
204	F	98	Very high	97.8	Very high	90 Å²	90	69.4 Å²	69.4	40%	0.395	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-46.3	177.6	174.7	-105.2	0	0	0	111.6	V194 Q196 S202 I245	V194-F204 HydrophobicContact CB-CD1 4.28Å; V194-F204 HydrophobicContact CG1-CB 4.42Å; V194-F204 HydrophobicContact CG1-CD1 3.91Å; V194-F204 WeakPolarHBondContact O-CA 3.26Å; V194-F204 WeakPolarHBondContact O-CB 3.42Å; V194-F204 PolarHBondContact O-N 2.71Å; Q196-F204 HydrophobicContact CB-CB 4.25Å; Q196-F204 HydrophobicContact CG-CB 4.35Å; S202-F204 PolarHBondContact O-N 3.29Å; F204-I245 HydrophobicContact CE1-CG2 3.62Å; F204-I245 HydrophobicContact CZ-CG2 4.34Å
205	R	97.8	Very high	97.8	Very high	88 Å²	88	69.3 Å²	69.3	33%	0.332	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	137.7	-178	-169.4	-179.6	-64.7	171	4.6	112.2	V194 I207 I245 N246	V194-R205 PolarHBondContact N-O 2.96Å; V194-R205 PolarHBondContact O-N 2.78Å; V194-R205 VanDerWaalsContact O-N 3.08Å; R205-I207 HydrophobicContact CG-CG1 4.09Å; R205-I245 PolarHBondContact NH1-O 2.89Å; R205-N246 PolarHBondContact NH2-OD1 3.38Å; R205-N246 VanDerWaalsContact NH2-OD1 3.11Å
206	R	98.4	Very high	97.8	Very high	134 Å²	134	73.7 Å²	73.7	51%	0.506	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.2	161.6	-63.3	-179.3	-177.9	-96	-4.7	109.4	I193 E203	I193-R206 HydrophobicContact CG1-CG 4.4Å; E203-R206 WeakPolarHBondContact OE1-CD 3.27Å; E203-R206 WeakPolarHBondContact OE1-CG 3.29Å; E203-R206 IonicContact OE1-CZ 3.76Å; E203-R206 IonicContact OE1-NE 3.78Å; E203-R206 PolarHBondContact OE1-NE 2.89Å; E203-R206 IonicContact OE1-NH2 2.8Å; E203-R206 IonicContact OE2-CZ 2.73Å; E203-R206 IonicContact OE2-NE 3.11Å; E203-R206 PolarHBondContact OE2-NE 2.91Å; E203-R206 IonicContact OE2-NH2 2.75Å; E203-R206 PolarHBondContact OE2-NH2 2.91Å
207	I	98.4	Very high	97.9	Very high	19 Å²	19	70.9 Å²	70.9	10%	0.097	33%	0.329	C	S	.	.			trans	-112.1	130.8	-175.5	-61.1	176.8	0	0	0	108.7	L192 V194 R205 S209 F231 I245	L192-I207 HydrophobicContact CB-CB 4.4Å; L192-I207 HydrophobicContact CD2-CB 4.01Å; L192-I207 HydrophobicContact CD2-CG2 3.87Å; L192-I207 HydrophobicContact CG-CB 4.15Å; L192-I207 PolarHBondContact O-N 3.46Å; V194-I207 HydrophobicContact CG2-CD1 3.55Å; V194-I207 HydrophobicContact CG2-CG1 4.42Å; R205-I207 HydrophobicContact CG-CG1 4.09Å; I207-S209 PolarHBondContact O-N 3.47Å; I207-F231 HydrophobicContact CD1-CE1 3.8Å; I207-F231 HydrophobicContact CD1-CZ 3.77Å; I207-I245 HydrophobicContact CD1-CD1 4.5Å
208	E	97.8	Very high	97.9	Very high	178 Å²	178	71.4 Å²	71.4	83%	0.832	33%	0.332	S	S	*	.			trans	-66.4	121.3	164.8	-174.4	-178.5	174.4	0	0	108.6
209	S	98.5	Very high	98	Very high	12 Å²	12	68.3 Å²	68.3	8%	0.084	32%	0.319	C	S	.	.			trans	-59	128.6	-173	179	0	0	0	0	112	I207 L211 H215	I207-S209 PolarHBondContact O-N 3.47Å; S209-L211 PolarHBondContact O-N 3.08Å; S209-L211 VanDerWaalsContact O-N 3.15Å; S209-L211 PolarHBondContact OG-N 3.41Å; S209-L211 PolarHBondContact OG-O 2.89Å; S209-H215 VanDerWaalsContact CB-NE2 3.3Å; S209-H215 WeakPolarHBondContact CB-NE2 3.43Å; S209-H215 PolarHBondContact OG-CE1 3.41Å; S209-H215 PolarHBondContact OG-NE2 3.4Å
210	P	98.1	Very high	98.2	Very high	52 Å²	52	62.4 Å²	62.4	34%	0.338	29%	0.287	S	S	.	.	S	Bend	trans	-69.2	-5.5	171.7	30.3	-35.6	0	0	0	112.8	A241	P210-A241 HydrophobicContact CB-CB 4.04Å; P210-A241 HydrophobicContact CG-CB 3.47Å; P210-A241 VanDerWaalsContact CG-CB 3.47Å
211	L	98.5	Very high	98.4	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	26%	0.26	C	S	.	.			trans	-109	141.7	178.9	-59.9	174.5	0	0	0	110.6	R190 S209 L233 R239 A241 T256	R190-L211 PolarHBondContact NH1-O 3Å; S209-L211 PolarHBondContact O-N 3.08Å; S209-L211 VanDerWaalsContact O-N 3.15Å; S209-L211 PolarHBondContact OG-N 3.41Å; S209-L211 PolarHBondContact OG-O 2.89Å; L211-L233 HydrophobicContact CD1-CB 4.26Å; L211-L233 HydrophobicContact CD1-CD2 3.86Å; L211-L233 HydrophobicContact CD1-CG 3.82Å; L211-L233 WeakPolarHBondContact CD1-O 3.43Å; L211-L233 HydrophobicContact CG-CD2 4.47Å; L211-R239 HydrophobicContact CD2-CB 4.35Å; L211-R239 HydrophobicContact CD2-CG 3.77Å; L211-A241 HydrophobicContact CD1-CB 4.19Å; L211-A241 HydrophobicContact CD2-CB 3.89Å; L211-A241 HydrophobicContact CG-CB 3.89Å; L211-T256 HydrophobicContact CD2-CG2 4.27Å
212	K	98.2	Very high	98.5	Very high	183 Å²	183	59.5 Å²	59.5	80%	0.796	27%	0.272	S	S	*	.	S	Bend	trans	-92.4	-6	-178.8	-62.7	-171.2	176.6	-173.6	0	113.9
213	H	98.6	Very high	98.4	Very high	81 Å²	81	60.4 Å²	60.4	38%	0.375	27%	0.274	S	S	.	.	S	Bend	trans	-120.6	166.7	-177.2	-66.9	90.2	0	0	0	111.1	H215 I236 E237	H213-H215 PolarHBondContact O-N 3.33Å; H213-I236 HydrophobicContact CB-CG1 4.23Å; H213-E237 HydrophobicContact CB-CB 3.77Å; H213-E237 IonicContact CE1-OE2 3.22Å; H213-E237 PolarHBondContact CE1-OE2 2.87Å; H213-E237 VanDerWaalsContact CE1-OE2 3.22Å; H213-E237 IonicContact CG-OE2 3.81Å; H213-E237 WeakPolarHBondContact ND1-CB 3.39Å; H213-E237 VanDerWaalsContact ND1-CD 3.27Å; H213-E237 WeakPolarHBondContact ND1-CG 3.4Å; H213-E237 IonicContact ND1-OE2 2.74Å; H213-E237 PolarHBondContact ND1-OE2 3.01Å
214	Q	98.8	Very high	98.2	Very high	86 Å²	86	66.4 Å²	66.4	40%	0.402	30%	0.299	S	S	.	.			trans	-51.8	134	-177.3	-167.3	179.4	71.4	0	0	112.4	Y174 S235 I236	Y174-Q214 HydrophobicContact CD2-CG 4.07Å; Y174-Q214 HydrophobicContact CE2-CG 3.55Å; Y174-Q214 PolarHBondContact OH-NE2 2.86Å; Q214-S235 VanDerWaalsContact O-CA 3.28Å; Q214-S235 WeakPolarHBondContact O-CA 3.44Å; Q214-S235 WeakPolarHBondContact O-CB 3.27Å; Q214-I236 HydrophobicContact CB-CD1 3.69Å; Q214-I236 HydrophobicContact CB-CG1 3.92Å; Q214-I236 HydrophobicContact CB-CG2 4.36Å; Q214-I236 PolarHBondContact O-N 3.08Å; Q214-I236 VanDerWaalsContact O-N 3.14Å
215	H	98.9	Very high	98.1	Very high	1 Å²	1	68.5 Å²	68.5	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	144	175.5	-59.8	165.8	0	0	0	110.9	Y174 A186 R190 G191 S209 H213 L233	Y174-H215 WeakPolarHBondContact CD2-O 3.12Å; A186-H215 HydrophobicContact CB-CB 3.9Å; R190-H215 WeakPolarHBondContact CA-CE1 3.45Å; R190-H215 PolarHBondContact O-CE1 2.68Å; G191-H215 PolarHBondContact O-CE1 3.04Å; G191-H215 PolarHBondContact O-ND1 2.69Å; S209-H215 VanDerWaalsContact CB-NE2 3.3Å; S209-H215 WeakPolarHBondContact CB-NE2 3.43Å; S209-H215 PolarHBondContact OG-CE1 3.41Å; S209-H215 PolarHBondContact OG-NE2 3.4Å; H213-H215 PolarHBondContact O-N 3.33Å; H215-L233 HydrophobicContact CB-CD1 4.29Å
216	R	98.8	Very high	98	Very high	98 Å²	98	69.4 Å²	69.4	37%	0.37	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	-47.3	-175.7	-174.3	62.5	162.4	176.5	-2.9	113.4	G234 I236 V276 N277	R216-G234 PolarHBondContact N-O 2.89Å; R216-I236 HydrophobicContact CB-CG2 4.31Å; R216-V276 WeakPolarHBondContact CB-O 3.48Å; R216-V276 WeakPolarHBondContact CG-O 3.47Å; R216-N277 PolarHBondContact NE-OD1 3.38Å; R216-N277 PolarHBondContact NH2-OD1 3.47Å; R216-N277 VanDerWaalsContact NH2-OD1 3.09Å
217	C	98.9	Very high	97.9	Very high	11 Å²	11	69.6 Å²	69.6	7%	0.074	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	153.8	-178.8	55.6	0	0	0	0	111.1	C175 G234 V276 I279	C175-C217 VanDerWaalsContact SG-C 3.56Å; C175-C217 WeakPolarHBondContact SG-CA 3.35Å; C217-G234 PolarHBondContact O-N 3.18Å; C217-V276 PolarHBondContact SG-O 3.39Å; C217-I279 HydrophobicContact CB-CG2 3.97Å
218	V	98.9	Very high	97.9	Very high	12 Å²	12	70 Å²	70	7%	0.073	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	145	177.9	66.7	0	0	0	0	110	C175 D177 V184 F231 A232 L233	C175-V218 HydrophobicContact CB-CG1 4.37Å; D177-V218 HydrophobicContact CB-CG1 4.19Å; V184-V218 HydrophobicContact CB-CG2 4.27Å; V184-V218 HydrophobicContact CG1-CG2 3.9Å; V218-F231 HydrophobicContact CG2-CB 4.03Å; V218-F231 HydrophobicContact CG2-CD2 3.98Å; V218-F231 HydrophobicContact CG2-CG 4.25Å; V218-A232 CarbonylContact C-O 3.6Å; V218-A232 VanDerWaalsContact CA-O 3.26Å; V218-A232 WeakPolarHBondContact CA-O 3.39Å; V218-A232 WeakPolarHBondContact CG2-O 3.24Å; V218-L233 HydrophobicContact CB-CD1 4.02Å; V218-L233 HydrophobicContact CG2-CD1 4.24Å
219	A	98.9	Very high	98	Very high	6 Å²	6	63.2 Å²	63.2	5%	0.05	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	131.6	170.9	0	0	0	0	0	111.3	D177 F231 A232 I279 F281	D177-A219 VanDerWaalsContact OD2-CA 3.29Å; D177-A219 WeakPolarHBondContact OD2-CA 3.3Å; A219-F231 CarbonylContact O-C 3.59Å; A219-F231 WeakPolarHBondContact O-CA 3.32Å; A219-F231 WeakPolarHBondContact O-CB 3.5Å; A219-A232 PolarHBondContact N-O 3.35Å; A219-A232 PolarHBondContact O-N 2.67Å; A219-I279 HydrophobicContact CB-CG1 4.45Å; A219-I279 HydrophobicContact CB-CG2 3.87Å; A219-F281 HydrophobicContact CB-CD2 3.85Å; A219-F281 HydrophobicContact CB-CE2 4.1Å
220	I	98.9	Very high	98	Very high	5 Å²	5	62.7 Å²	62.7	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	139.3	175.9	-63.6	171.7	0	0	0	108.9	D177 I179 M182 V184 P228 G230 F231	D177-I220 HydrophobicContact CB-CD1 4.32Å; D177-I220 HydrophobicContact CB-CG1 4.15Å; D177-I220 WeakPolarHBondContact O-CD1 3.48Å; D177-I220 PolarHBondContact OD2-N 3.17Å; I179-I220 HydrophobicContact CB-CG2 4.1Å; I179-I220 HydrophobicContact CD1-CB 3.85Å; I179-I220 HydrophobicContact CD1-CG2 3.82Å; I179-I220 HydrophobicContact CG1-CB 4.01Å; I179-I220 HydrophobicContact CG1-CG2 4.07Å; M182-I220 HydrophobicContact CE-CG1 4.41Å; M182-I220 HydrophobicContact CG-CD1 4.22Å; M182-I220 WeakPolarHBondContact O-CD1 3.47Å; V184-I220 HydrophobicContact CB-CG1 4.5Å; V184-I220 HydrophobicContact CG2-CD1 3.98Å; V184-I220 HydrophobicContact CG2-CG1 3.82Å; I220-P228 HydrophobicContact CG2-CB 3.99Å; I220-G230 WeakPolarHBondContact CA-O 3.44Å; I220-G230 WeakPolarHBondContact CG2-O 3.36Å; I220-F231 HydrophobicContact CG1-CB 4.44Å
221	F	98.7	Very high	98	Very high	5 Å²	5	60.2 Å²	60.2	2%	0.022	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	158.3	171.5	63.1	-97.2	0	0	0	111.9	T229 G230 F231 I242 Y244 F281 K302	F221-T229 HydrophobicContact CD2-CG2 3.61Å; F221-T229 HydrophobicContact CE2-CG2 3.52Å; F221-T229 PolarHBondContact O-N 2.83Å; F221-G230 PolarHBondContact N-O 3.06Å; F221-G230 PolarHBondContact O-N 2.93Å; F221-F231 VanDerWaalsContact CE1-C 3.46Å; F221-F231 WeakPolarHBondContact CE1-O 3.35Å; F221-I242 HydrophobicContact CE1-CG2 4Å; F221-I242 HydrophobicContact CZ-CG2 4.06Å; F221-Y244 AromaticContact CE2-CD1 3.77Å; F221-Y244 HydrophobicContact CE2-CD1 3.77Å; F221-Y244 AromaticContact CE2-CE1 3.41Å; F221-Y244 HydrophobicContact CE2-CE1 3.41Å; F221-Y244 VanDerWaalsContact CE2-CE1 3.41Å; F221-Y244 AromaticContact CE2-CZ 3.87Å; F221-Y244 AromaticContact CZ-CD1 3.86Å; F221-Y244 HydrophobicContact CZ-CD1 3.86Å; F221-Y244 HydrophobicContact CZ-CD2 4.33Å; F221-Y244 AromaticContact CZ-CE1 3.72Å; F221-Y244 HydrophobicContact CZ-CE1 3.72Å; F221-Y244 HydrophobicContact CZ-CE2 4.19Å; F221-Y244 HydrophobicContact CZ-CG 4.16Å; F221-Y244 AromaticContact CZ-CZ 3.86Å; F221-F281 HydrophobicContact CB-CD1 3.88Å; F221-F281 HydrophobicContact CB-CD2 3.84Å; F221-F281 HydrophobicContact CB-CE1 3.66Å; F221-F281 HydrophobicContact CB-CE2 3.64Å; F221-F281 HydrophobicContact CB-CG 3.97Å; F221-F281 HydrophobicContact CB-CZ 3.55Å; F221-F281 HydrophobicContact CD1-CE1 4.27Å; F221-F281 AromaticContact CD1-CE2 3.84Å; F221-F281 HydrophobicContact CD1-CE2 3.84Å; F221-F281 AromaticContact CD1-CZ 3.52Å; F221-F281 HydrophobicContact CD1-CZ 3.52Å; F221-F281 HydrophobicContact CG-CE1 4.19Å; F221-F281 HydrophobicContact CG-CE2 4.21Å; F221-F281 AromaticContact CG-CZ 3.85Å; F221-F281 HydrophobicContact CG-CZ 3.85Å; F221-K302 HydrophobicContact CD1-CD 4.42Å; F221-K302 HydrophobicContact CD2-CD 4.45Å; F221-K302 VanDerWaalsContact CD2-CE 3.48Å; F221-K302 HydrophobicContact CE1-CD 4.41Å; F221-K302 HydrophobicContact CE2-CD 4.45Å; F221-K302 HydrophobicContact CG-CD 4.44Å; F221-K302 HydrophobicContact CZ-CD 4.44Å
222	K	98.4	Very high	98	Very high	70 Å²	70	60.1 Å²	60.1	30%	0.304	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	157.2	-175	-61.2	172.8	-67.9	172.4	0	111.5	I179 N226 K227	I179-K222 HydrophobicContact CD1-CG 4.47Å; K222-N226 VanDerWaalsContact CD-OD1 3.28Å; K222-N226 WeakPolarHBondContact CD-OD1 3.12Å; K222-N226 VanDerWaalsContact CE-OD1 3.27Å; K222-N226 WeakPolarHBondContact CE-OD1 3.41Å; K222-N226 PolarHBondContact NZ-OD1 3.07Å; K222-K227 CarbonylContact C-O 3.37Å; K222-K227 WeakPolarHBondContact CA-O 3.32Å; K222-K227 WeakPolarHBondContact CB-O 3.49Å
223	D	96.4	Very high	98.1	Very high	54 Å²	54	51.4 Å²	51.4	29%	0.289	24%	0.243	S	C	.	.			trans	-80.7	-175.3	169.1	67.1	14.9	0	0	0	111.9	Q225 N226 K227 T229	D223-Q225 PolarHBondContact O-N 2.98Å; D223-Q225 VanDerWaalsContact OD1-CA 3.24Å; D223-Q225 WeakPolarHBondContact OD1-CA 3.28Å; D223-Q225 WeakPolarHBondContact OD1-CB 3.3Å; D223-Q225 PolarHBondContact OD1-N 2.81Å; D223-N226 PolarHBondContact O-N 3.28Å; D223-N226 VanDerWaalsContact O-N 3.12Å; D223-N226 PolarHBondContact OD1-N 3.43Å; D223-K227 PolarHBondContact N-O 3.43Å; D223-K227 PolarHBondContact OD1-N 2.82Å; D223-T229 HydrophobicContact CB-CG2 3.93Å
224	K	94	Very high	98.1	Very high	208 Å²	208	47.6 Å²	47.6	90%	0.904	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-17.5	177.2	-66.7	-176.9	178.7	-179.3	0	113.3	N226	K224-N226 VanDerWaalsContact C-N 3.28Å
225	Q	95.6	Very high	98.1	Very high	135 Å²	135	43.5 Å²	43.5	63%	0.631	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	10.9	175.4	-66.6	74	22.8	0	0	111.6	D223 K227	D223-Q225 PolarHBondContact O-N 2.98Å; D223-Q225 VanDerWaalsContact OD1-CA 3.24Å; D223-Q225 WeakPolarHBondContact OD1-CA 3.28Å; D223-Q225 WeakPolarHBondContact OD1-CB 3.3Å; D223-Q225 PolarHBondContact OD1-N 2.81Å; Q225-K227 VanDerWaalsContact C-N 3.25Å; Q225-K227 HydrophobicContact CB-CG 4.5Å; Q225-K227 PolarHBondContact O-N 3.27Å
226	N	96.1	Very high	98.1	Very high	107 Å²	107	46.6 Å²	46.6	57%	0.572	22%	0.222	S	C	*	.	S	Bend	trans	62.8	26.3	179.1	-162.1	48.6	0	0	0	113.8	K222 D223 K224	K222-N226 VanDerWaalsContact CD-OD1 3.28Å; K222-N226 WeakPolarHBondContact CD-OD1 3.12Å; K222-N226 VanDerWaalsContact CE-OD1 3.27Å; K222-N226 WeakPolarHBondContact CE-OD1 3.41Å; K222-N226 PolarHBondContact NZ-OD1 3.07Å; D223-N226 PolarHBondContact O-N 3.28Å; D223-N226 VanDerWaalsContact O-N 3.12Å; D223-N226 PolarHBondContact OD1-N 3.43Å; K224-N226 VanDerWaalsContact C-N 3.28Å
227	K	97.6	Very high	98	Very high	137 Å²	137	43.9 Å²	43.9	60%	0.596	21%	0.213	S	C	*	.			trans	-100.7	142.8	176.2	-60.9	-174.8	179.1	-175.1	0	111.2	K222 D223 Q225 T229	K222-K227 CarbonylContact C-O 3.37Å; K222-K227 WeakPolarHBondContact CA-O 3.32Å; K222-K227 WeakPolarHBondContact CB-O 3.49Å; D223-K227 PolarHBondContact N-O 3.43Å; D223-K227 PolarHBondContact OD1-N 2.82Å; Q225-K227 VanDerWaalsContact C-N 3.25Å; Q225-K227 HydrophobicContact CB-CG 4.5Å; Q225-K227 PolarHBondContact O-N 3.27Å; K227-T229 PolarHBondContact O-N 2.89Å
228	P	98.3	Very high	98	Very high	28 Å²	28	43.3 Å²	43.3	18%	0.182	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	126.1	171.8	-23	33	0	0	0	111	I179 Y180 M182 I220	I179-P228 HydrophobicContact CB-CG 4.06Å; I179-P228 HydrophobicContact CG2-CG 3.75Å; I179-P228 WeakPolarHBondContact O-CG 3.33Å; Y180-P228 WeakPolarHBondContact O-CG 3.22Å; M182-P228 HydrophobicContact CB-CB 3.78Å; M182-P228 HydrophobicContact CB-CG 4.33Å; M182-P228 HydrophobicContact SD-CB 4.07Å; I220-P228 HydrophobicContact CG2-CB 3.99Å
229	T	98.3	Very high	98	Very high	36 Å²	36	45 Å²	45	22%	0.221	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	-12.3	-174.3	-171	0	0	0	0	114.3	F221 D223 K227 Y244 I245	F221-T229 HydrophobicContact CD2-CG2 3.61Å; F221-T229 HydrophobicContact CE2-CG2 3.52Å; F221-T229 PolarHBondContact O-N 2.83Å; D223-T229 HydrophobicContact CB-CG2 3.93Å; K227-T229 PolarHBondContact O-N 2.89Å; T229-Y244 HydrophobicContact CG2-CD1 4.49Å; T229-I245 PolarHBondContact O-N 2.93Å
230	G	98.7	Very high	98	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	-177	-175.9	0	0	0	0	0	111.7	I220 F221 H243	I220-G230 WeakPolarHBondContact CA-O 3.44Å; I220-G230 WeakPolarHBondContact CG2-O 3.36Å; F221-G230 PolarHBondContact N-O 3.06Å; F221-G230 PolarHBondContact O-N 2.93Å; G230-H243 CarbonylContact C-O 3.55Å; G230-H243 WeakPolarHBondContact CA-O 3.41Å
231	F	98.9	Very high	98	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	156.7	177.3	57.6	-92.4	0	0	0	111.7	M182 V184 L192 V194 I207 V218 A219 I220 F221 L233 H243 I245	M182-F231 HydrophobicContact CE-CD1 3.81Å; V184-F231 HydrophobicContact CG1-CD1 4.15Å; V184-F231 HydrophobicContact CG1-CD2 4.39Å; V184-F231 HydrophobicContact CG1-CE1 4.36Å; V184-F231 HydrophobicContact CG1-CG 4.17Å; V184-F231 HydrophobicContact CG2-CB 4.15Å; V184-F231 HydrophobicContact CG2-CD1 3.7Å; V184-F231 HydrophobicContact CG2-CE1 4.4Å; V184-F231 HydrophobicContact CG2-CG 4.06Å; L192-F231 HydrophobicContact CD1-CE2 4.16Å; L192-F231 HydrophobicContact CD1-CZ 4.31Å; L192-F231 HydrophobicContact CD2-CE2 3.84Å; L192-F231 HydrophobicContact CD2-CZ 3.78Å; L192-F231 HydrophobicContact CG-CE2 4.43Å; L192-F231 HydrophobicContact CG-CZ 4.23Å; V194-F231 HydrophobicContact CG2-CE1 3.99Å; I207-F231 HydrophobicContact CD1-CE1 3.8Å; I207-F231 HydrophobicContact CD1-CZ 3.77Å; V218-F231 HydrophobicContact CG2-CB 4.03Å; V218-F231 HydrophobicContact CG2-CD2 3.98Å; V218-F231 HydrophobicContact CG2-CG 4.25Å; A219-F231 CarbonylContact O-C 3.59Å; A219-F231 WeakPolarHBondContact O-CA 3.32Å; A219-F231 WeakPolarHBondContact O-CB 3.5Å; I220-F231 HydrophobicContact CG1-CB 4.44Å; F221-F231 VanDerWaalsContact CE1-C 3.46Å; F221-F231 WeakPolarHBondContact CE1-O 3.35Å; F231-L233 HydrophobicContact CD2-CB 4.3Å; F231-L233 HydrophobicContact CE2-CB 4.36Å; F231-H243 HydrophobicContact CD2-CB 4.23Å; F231-H243 HydrophobicContact CE1-CB 4.18Å; F231-H243 HydrophobicContact CE2-CB 3.68Å; F231-H243 HydrophobicContact CZ-CB 3.64Å; F231-H243 AromaticContact CZ-CD2 3.83Å; F231-H243 AromaticContact CZ-CG 3.78Å; F231-H243 PolarHBondContact N-O 3.04Å; F231-H243 PolarHBondContact O-N 2.79Å; F231-I245 HydrophobicContact CD1-CD1 4.03Å; F231-I245 HydrophobicContact CE1-CD1 3.74Å
232	A	98.9	Very high	98	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.6	167.5	0	0	0	0	0	109.5	V218 A219 V240 A241 I242 I279 F281 L288	V218-A232 CarbonylContact C-O 3.6Å; V218-A232 VanDerWaalsContact CA-O 3.26Å; V218-A232 WeakPolarHBondContact CA-O 3.39Å; V218-A232 WeakPolarHBondContact CG2-O 3.24Å; A219-A232 PolarHBondContact N-O 3.35Å; A219-A232 PolarHBondContact O-N 2.67Å; A232-V240 HydrophobicContact CB-CG1 4.08Å; A232-A241 CarbonylContact C-O 3.54Å; A232-A241 VanDerWaalsContact CA-O 3.24Å; A232-A241 WeakPolarHBondContact CA-O 3.41Å; A232-I242 HydrophobicContact CB-CD1 3.57Å; A232-I279 HydrophobicContact CB-CD1 3.36Å; A232-I279 HydrophobicContact CB-CG1 4.38Å; A232-F281 HydrophobicContact CB-CE2 3.74Å; A232-F281 HydrophobicContact CB-CZ 3.83Å; A232-L288 HydrophobicContact CB-CD1 4.38Å
233	L	98.9	Very high	98	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.2	-177.8	-179.2	70.9	0	0	0	109.7	A186 L192 L211 H215 V218 F231 V240 A241	A186-L233 HydrophobicContact CB-CD1 4.12Å; L192-L233 HydrophobicContact CD1-CD1 4.45Å; L192-L233 HydrophobicContact CD1-CD2 4.27Å; L192-L233 HydrophobicContact CD2-CD2 4Å; L211-L233 HydrophobicContact CD1-CB 4.26Å; L211-L233 HydrophobicContact CD1-CD2 3.86Å; L211-L233 HydrophobicContact CD1-CG 3.82Å; L211-L233 WeakPolarHBondContact CD1-O 3.43Å; L211-L233 HydrophobicContact CG-CD2 4.47Å; H215-L233 HydrophobicContact CB-CD1 4.29Å; V218-L233 HydrophobicContact CB-CD1 4.02Å; V218-L233 HydrophobicContact CG2-CD1 4.24Å; F231-L233 HydrophobicContact CD2-CB 4.3Å; F231-L233 HydrophobicContact CE2-CB 4.36Å; L233-V240 CarbonylContact O-C 3.54Å; L233-V240 VanDerWaalsContact O-CA 3.23Å; L233-V240 WeakPolarHBondContact O-CA 3.38Å; L233-A241 PolarHBondContact N-O 2.81Å; L233-A241 PolarHBondContact O-N 2.88Å
234	G	98.9	Very high	98.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	141.7	175.1	0	0	0	0	0	112.6	R216 C217	R216-G234 PolarHBondContact N-O 2.89Å; C217-G234 PolarHBondContact O-N 3.18Å
235	S	98.8	Very high	98.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	171.5	172.3	71.7	0	0	0	0	113.1	Q214 E237 R239 V276	Q214-S235 VanDerWaalsContact O-CA 3.28Å; Q214-S235 WeakPolarHBondContact O-CA 3.44Å; Q214-S235 WeakPolarHBondContact O-CB 3.27Å; S235-E237 PolarHBondContact O-N 3.3Å; S235-E237 PolarHBondContact OG-N 2.8Å; S235-R239 PolarHBondContact N-O 3Å; S235-V276 PolarHBondContact O-N 2.77Å; S235-V276 VanDerWaalsContact O-N 3.09Å
236	I	98.6	Very high	98.4	Very high	67 Å²	67	31.4 Å²	31.4	34%	0.344	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-2.5	171.6	65.8	168.7	0	0	0	114.2	H213 Q214 R216 A275	H213-I236 HydrophobicContact CB-CG1 4.23Å; Q214-I236 HydrophobicContact CB-CD1 3.69Å; Q214-I236 HydrophobicContact CB-CG1 3.92Å; Q214-I236 HydrophobicContact CB-CG2 4.36Å; Q214-I236 PolarHBondContact O-N 3.08Å; Q214-I236 VanDerWaalsContact O-N 3.14Å; R216-I236 HydrophobicContact CB-CG2 4.31Å; I236-A275 HydrophobicContact CB-CB 4.05Å; I236-A275 HydrophobicContact CG2-CB 4.16Å
237	E	98.3	Very high	98.4	Very high	40 Å²	40	27.3 Å²	27.3	19%	0.187	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	30.4	-174.9	-166.7	-128.3	145.4	0	0	112.4	H213 S235 R239 R261 I273	H213-E237 HydrophobicContact CB-CB 3.77Å; H213-E237 IonicContact CE1-OE2 3.22Å; H213-E237 PolarHBondContact CE1-OE2 2.87Å; H213-E237 VanDerWaalsContact CE1-OE2 3.22Å; H213-E237 IonicContact CG-OE2 3.81Å; H213-E237 WeakPolarHBondContact ND1-CB 3.39Å; H213-E237 VanDerWaalsContact ND1-CD 3.27Å; H213-E237 WeakPolarHBondContact ND1-CG 3.4Å; H213-E237 IonicContact ND1-OE2 2.74Å; H213-E237 PolarHBondContact ND1-OE2 3.01Å; S235-E237 PolarHBondContact O-N 3.3Å; S235-E237 PolarHBondContact OG-N 2.8Å; E237-R239 PolarHBondContact O-N 3.02Å; E237-R239 IonicContact OE1-NH2 3.72Å; E237-R239 IonicContact OE2-NE 2.7Å; E237-R261 PolarHBondContact O-NH2 3.22Å; E237-R261 IonicContact OE1-NH2 3.91Å; E237-R261 PolarHBondContact OE1-NH2 2.91Å; E237-I273 HydrophobicContact CG-CG2 4.32Å; E237-I273 VanDerWaalsContact O-CG2 3.28Å; E237-I273 WeakPolarHBondContact O-CG2 3.24Å
238	G	98.4	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	51	178.6	0	0	0	0	0	112.3	K258 C259 R261 Y274	G238-K258 WeakPolarHBondContact O-CA 3.32Å; G238-C259 CarbonylContact C-O 3.48Å; G238-C259 WeakPolarHBondContact CA-O 3.36Å; G238-C259 PolarHBondContact O-N 3.17Å; G238-R261 PolarHBondContact O-NE 3.04Å; G238-R261 VanDerWaalsContact O-NE 3.07Å; G238-Y274 WeakPolarHBondContact CA-O 3.31Å; G238-Y274 PolarHBondContact N-O 2.85Å
239	R	98.6	Very high	98.2	Very high	47 Å²	47	29.3 Å²	29.3	18%	0.177	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	141.8	-175.5	-170.9	177.9	-62.9	-85.2	0.5	111.3	L211 S235 E237 T256 F257	L211-R239 HydrophobicContact CD2-CB 4.35Å; L211-R239 HydrophobicContact CD2-CG 3.77Å; S235-R239 PolarHBondContact N-O 3Å; E237-R239 PolarHBondContact O-N 3.02Å; E237-R239 IonicContact OE1-NH2 3.72Å; E237-R239 IonicContact OE2-NE 2.7Å; R239-T256 PolarHBondContact NH1-OG1 3.32Å; R239-F257 WeakPolarHBondContact CA-O 3.3Å; R239-F257 WeakPolarHBondContact CG-O 3.44Å
240	V	98.9	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.1	171	172.6	0	0	0	0	109.5	A232 L233 I242 T256 F257 V276 I279 T290	A232-V240 HydrophobicContact CB-CG1 4.08Å; L233-V240 CarbonylContact O-C 3.54Å; L233-V240 VanDerWaalsContact O-CA 3.23Å; L233-V240 WeakPolarHBondContact O-CA 3.38Å; V240-I242 HydrophobicContact CG1-CD1 4.19Å; V240-T256 CarbonylContact O-C 3.16Å; V240-T256 VanDerWaalsContact O-CA 3.23Å; V240-T256 WeakPolarHBondContact O-CA 3.39Å; V240-T256 WeakPolarHBondContact O-CB 3.46Å; V240-F257 HydrophobicContact CB-CD1 4.25Å; V240-F257 HydrophobicContact CB-CE1 3.62Å; V240-F257 HydrophobicContact CB-CE2 4Å; V240-F257 HydrophobicContact CB-CZ 3.49Å; V240-F257 VanDerWaalsContact CB-CZ 3.49Å; V240-F257 HydrophobicContact CG1-CD1 4.48Å; V240-F257 HydrophobicContact CG1-CE1 3.58Å; V240-F257 HydrophobicContact CG1-CZ 3.71Å; V240-F257 HydrophobicContact CG2-CE2 4.36Å; V240-F257 HydrophobicContact CG2-CZ 4.05Å; V240-F257 PolarHBondContact N-O 2.79Å; V240-F257 PolarHBondContact O-N 3.48Å; V240-V276 HydrophobicContact CG2-CG1 4.2Å; V240-V276 HydrophobicContact CG2-CG2 4.24Å; V240-I279 HydrophobicContact CG1-CD1 3.82Å; V240-I279 HydrophobicContact CG2-CD1 4.21Å; V240-T290 HydrophobicContact CG2-CG2 4.1Å
241	A	98.9	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.6	168.4	0	0	0	0	0	110.3	P210 L211 A232 L233 T256	P210-A241 HydrophobicContact CB-CB 4.04Å; P210-A241 HydrophobicContact CG-CB 3.47Å; P210-A241 VanDerWaalsContact CG-CB 3.47Å; L211-A241 HydrophobicContact CD1-CB 4.19Å; L211-A241 HydrophobicContact CD2-CB 3.89Å; L211-A241 HydrophobicContact CG-CB 3.89Å; A232-A241 CarbonylContact C-O 3.54Å; A232-A241 VanDerWaalsContact CA-O 3.24Å; A232-A241 WeakPolarHBondContact CA-O 3.41Å; L233-A241 PolarHBondContact N-O 2.81Å; L233-A241 PolarHBondContact O-N 2.88Å; A241-T256 HydrophobicContact CB-CG2 3.87Å
242	I	98.8	Very high	97.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118.9	169	-58.5	-56.9	0	0	0	107.5	F221 A232 V240 Y244 N254 F255 F257 K302	F221-I242 HydrophobicContact CE1-CG2 4Å; F221-I242 HydrophobicContact CZ-CG2 4.06Å; A232-I242 HydrophobicContact CB-CD1 3.57Å; V240-I242 HydrophobicContact CG1-CD1 4.19Å; I242-Y244 HydrophobicContact CG2-CD2 4.37Å; I242-Y244 HydrophobicContact CG2-CE2 3.81Å; I242-N254 WeakPolarHBondContact O-CA 3.36Å; I242-F255 HydrophobicContact CB-CD1 4.03Å; I242-F255 HydrophobicContact CB-CE1 3.64Å; I242-F255 HydrophobicContact CB-CE2 4.45Å; I242-F255 HydrophobicContact CB-CZ 3.88Å; I242-F255 HydrophobicContact CG1-CE1 3.88Å; I242-F255 HydrophobicContact CG1-CE2 3.99Å; I242-F255 HydrophobicContact CG1-CZ 3.55Å; I242-F255 HydrophobicContact CG2-CD1 4.4Å; I242-F255 HydrophobicContact CG2-CE1 3.79Å; I242-F255 HydrophobicContact CG2-CZ 4.28Å; I242-F255 PolarHBondContact N-O 3.24Å; I242-F255 PolarHBondContact O-N 2.92Å; I242-F257 HydrophobicContact CD1-CE1 4.13Å; I242-F257 HydrophobicContact CG1-CD1 4.42Å; I242-F257 HydrophobicContact CG1-CE1 4.06Å; I242-K302 HydrophobicContact CD1-CB 4.26Å; I242-K302 HydrophobicContact CG1-CB 4.27Å; I242-K302 HydrophobicContact CG2-CD 4.16Å
243	H	98.8	Very high	97.8	Very high	23 Å²	23	44 Å²	44	11%	0.106	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	114.1	-175.1	-160.7	101.6	0	0	0	110.7	G230 F231	G230-H243 CarbonylContact C-O 3.55Å; G230-H243 WeakPolarHBondContact CA-O 3.41Å; F231-H243 HydrophobicContact CD2-CB 4.23Å; F231-H243 HydrophobicContact CE1-CB 4.18Å; F231-H243 HydrophobicContact CE2-CB 3.68Å; F231-H243 HydrophobicContact CZ-CB 3.64Å; F231-H243 AromaticContact CZ-CD2 3.83Å; F231-H243 AromaticContact CZ-CG 3.78Å; F231-H243 PolarHBondContact N-O 3.04Å; F231-H243 PolarHBondContact O-N 2.79Å
244	Y	98.5	Very high	97.7	Very high	41 Å²	41	45.7 Å²	45.7	16%	0.161	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	141.9	170.9	-67.9	-93.9	0	0	0	109.5	F221 T229 I242 P247 D253 N254 K302 D303	F221-Y244 AromaticContact CE2-CD1 3.77Å; F221-Y244 HydrophobicContact CE2-CD1 3.77Å; F221-Y244 AromaticContact CE2-CE1 3.41Å; F221-Y244 HydrophobicContact CE2-CE1 3.41Å; F221-Y244 VanDerWaalsContact CE2-CE1 3.41Å; F221-Y244 AromaticContact CE2-CZ 3.87Å; F221-Y244 AromaticContact CZ-CD1 3.86Å; F221-Y244 HydrophobicContact CZ-CD1 3.86Å; F221-Y244 HydrophobicContact CZ-CD2 4.33Å; F221-Y244 AromaticContact CZ-CE1 3.72Å; F221-Y244 HydrophobicContact CZ-CE1 3.72Å; F221-Y244 HydrophobicContact CZ-CE2 4.19Å; F221-Y244 HydrophobicContact CZ-CG 4.16Å; F221-Y244 AromaticContact CZ-CZ 3.86Å; T229-Y244 HydrophobicContact CG2-CD1 4.49Å; I242-Y244 HydrophobicContact CG2-CD2 4.37Å; I242-Y244 HydrophobicContact CG2-CE2 3.81Å; Y244-P247 HydrophobicContact CG-CB 4.37Å; Y244-P247 WeakPolarHBondContact O-CD 3.48Å; Y244-D253 HydrophobicContact CD2-CB 4.38Å; Y244-D253 WeakPolarHBondContact CE2-O 3.29Å; Y244-N254 PolarHBondContact N-OD1 3.22Å; Y244-K302 PolarHBondContact OH-NZ 3.26Å; Y244-D303 PolarHBondContact OH-OD1 2.92Å
245	I	98.1	Very high	97.7	Very high	13 Å²	13	47.3 Å²	47.3	7%	0.067	26%	0.261	C	S	.	.	S	Bend	trans	-72.9	-45.3	-179.1	-60.6	-55.2	0	0	0	111.7	M182 V194 F204 R205 I207 T229 F231	M182-I245 HydrophobicContact CE-CD1 3.65Å; M182-I245 HydrophobicContact CE-CG1 3.7Å; M182-I245 HydrophobicContact SD-CD1 4.47Å; M182-I245 HydrophobicContact SD-CG1 3.95Å; V194-I245 HydrophobicContact CG1-CD1 4.26Å; V194-I245 HydrophobicContact CG2-CD1 3.85Å; F204-I245 HydrophobicContact CE1-CG2 3.62Å; F204-I245 HydrophobicContact CZ-CG2 4.34Å; R205-I245 PolarHBondContact NH1-O 2.89Å; I207-I245 HydrophobicContact CD1-CD1 4.5Å; T229-I245 PolarHBondContact O-N 2.93Å; F231-I245 HydrophobicContact CD1-CD1 4.03Å; F231-I245 HydrophobicContact CE1-CD1 3.74Å
246	N	96.3	Very high	97.7	Very high	119 Å²	119	50 Å²	50	64%	0.636	28%	0.278	S	S	*	.	S	Bend	trans	-132.9	61.4	-178.3	-58.2	-49.3	0	0	0	111.6	R205	R205-N246 PolarHBondContact NH2-OD1 3.38Å; R205-N246 VanDerWaalsContact NH2-OD1 3.11Å
247	P	96.5	Very high	97.7	Very high	21 Å²	21	48.3 Å²	48.3	14%	0.136	27%	0.268	C	S	.	.			trans	-74.4	151.6	178.9	30	-32.2	0	0	0	111.8	Y244 N249 P250 D253	Y244-P247 HydrophobicContact CG-CB 4.37Å; Y244-P247 WeakPolarHBondContact O-CD 3.48Å; P247-N249 VanDerWaalsContact C-N 3.31Å; P247-N249 PolarHBondContact O-N 3.21Å; P247-P250 HydrophobicContact CG-CB 4.05Å; P247-P250 HydrophobicContact CG-CG 3.93Å; P247-D253 HydrophobicContact CB-CB 3.65Å; P247-D253 HydrophobicContact CG-CB 4.45Å
248	P	96.5	Very high	97.7	Very high	130 Å²	130	52.2 Å²	52.2	84%	0.844	28%	0.284	S	S	*	.	S	Bend	trans	-64.9	-32.4	175.9	26	-33.5	0	0	0	113	D253	P248-D253 VanDerWaalsContact CD-OD2 3.29Å; P248-D253 WeakPolarHBondContact CD-OD2 3.35Å; P248-D253 WeakPolarHBondContact CG-OD2 3.4Å
249	N	96.4	Very high	97.7	Very high	77 Å²	77	52.5 Å²	52.5	41%	0.412	29%	0.286	S	S	.	.			trans	-135.9	87.4	174.5	-175.8	-8.9	0	0	0	110.9	P247 A251 K252 D253	P247-N249 VanDerWaalsContact C-N 3.31Å; P247-N249 PolarHBondContact O-N 3.21Å; N249-A251 PolarHBondContact O-N 2.83Å; N249-A251 VanDerWaalsContact O-N 3.08Å; N249-A251 PolarHBondContact OD1-N 3.14Å; N249-K252 HydrophobicContact CB-CB 4.39Å; N249-K252 PolarHBondContact O-N 2.9Å; N249-D253 WeakPolarHBondContact CA-OD2 3.5Å; N249-D253 PolarHBondContact N-OD2 3.48Å; N249-D253 WeakPolarHBondContact O-CB 3.48Å; N249-D253 VanDerWaalsContact O-CG 3.24Å; N249-D253 PolarHBondContact O-N 2.7Å
250	P	96.1	Very high	97.6	Very high	71 Å²	71	50.6 Å²	50.6	46%	0.461	28%	0.279	S	S	.	.	H	α-helix	trans	-52.3	-35.4	-177.3	-23.9	29.1	0	0	0	114.4	P247 K252 N254	P247-P250 HydrophobicContact CG-CB 4.05Å; P247-P250 HydrophobicContact CG-CG 3.93Å; P250-K252 VanDerWaalsContact C-N 3.28Å; P250-K252 PolarHBondContact O-N 3.08Å; P250-N254 VanDerWaalsContact O-CB 3.29Å; P250-N254 WeakPolarHBondContact O-CB 3.33Å; P250-N254 PolarHBondContact O-N 3.1Å
251	A	95.9	Very high	97.5	Very high	96 Å²	96	52.7 Å²	52.7	79%	0.793	29%	0.287	S	S	*	.	H	α-helix	trans	-68.5	-25.6	-178.1	0	0	0	0	0	113.5	N249	N249-A251 PolarHBondContact O-N 2.83Å; N249-A251 VanDerWaalsContact O-N 3.08Å; N249-A251 PolarHBondContact OD1-N 3.14Å
252	K	95.9	Very high	97	Very high	139 Å²	139	53.7 Å²	53.7	60%	0.604	29%	0.294	S	S	*	.	H	α-helix	trans	-100.6	-42.5	177.8	-176.7	-174.9	174.7	-175.8	0	111.9	N249 P250 R305	N249-K252 HydrophobicContact CB-CB 4.39Å; N249-K252 PolarHBondContact O-N 2.9Å; P250-K252 VanDerWaalsContact C-N 3.28Å; P250-K252 PolarHBondContact O-N 3.08Å; K252-R305 PolarHBondContact O-NH2 3.18Å
253	D	97.4	Very high	96.1	Very high	38 Å²	38	59.4 Å²	59.4	20%	0.203	33%	0.325	C	S	.	.	H	α-helix	trans	-78.1	-35.1	-168.8	-62.5	-29.7	0	0	0	111.8	Y244 P247 P248 N249 F255	Y244-D253 HydrophobicContact CD2-CB 4.38Å; Y244-D253 WeakPolarHBondContact CE2-O 3.29Å; P247-D253 HydrophobicContact CB-CB 3.65Å; P247-D253 HydrophobicContact CG-CB 4.45Å; P248-D253 VanDerWaalsContact CD-OD2 3.29Å; P248-D253 WeakPolarHBondContact CD-OD2 3.35Å; P248-D253 WeakPolarHBondContact CG-OD2 3.4Å; N249-D253 WeakPolarHBondContact CA-OD2 3.5Å; N249-D253 PolarHBondContact N-OD2 3.48Å; N249-D253 WeakPolarHBondContact O-CB 3.48Å; N249-D253 VanDerWaalsContact O-CG 3.24Å; N249-D253 PolarHBondContact O-N 2.7Å; D253-F255 WeakPolarHBondContact O-CD1 3.43Å
254	N	98.2	Very high	94.6	Very high	36 Å²	36	59.6 Å²	59.6	19%	0.193	33%	0.333	C	S	.	.	S	Bend	trans	-81.9	131.4	169.1	-63.5	-23.3	0	0	0	109.2	I242 Y244 P250	I242-N254 WeakPolarHBondContact O-CA 3.36Å; Y244-N254 PolarHBondContact N-OD1 3.22Å; P250-N254 VanDerWaalsContact O-CB 3.29Å; P250-N254 WeakPolarHBondContact O-CB 3.33Å; P250-N254 PolarHBondContact O-N 3.1Å
255	F	98.5	Very high	93	Very high	34 Å²	34	64.6 Å²	64.6	15%	0.149	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	167.9	-178.8	69.3	-81.7	0	0	0	111.2	I242 D253 F257 K302 R305	I242-F255 HydrophobicContact CB-CD1 4.03Å; I242-F255 HydrophobicContact CB-CE1 3.64Å; I242-F255 HydrophobicContact CB-CE2 4.45Å; I242-F255 HydrophobicContact CB-CZ 3.88Å; I242-F255 HydrophobicContact CG1-CE1 3.88Å; I242-F255 HydrophobicContact CG1-CE2 3.99Å; I242-F255 HydrophobicContact CG1-CZ 3.55Å; I242-F255 HydrophobicContact CG2-CD1 4.4Å; I242-F255 HydrophobicContact CG2-CE1 3.79Å; I242-F255 HydrophobicContact CG2-CZ 4.28Å; I242-F255 PolarHBondContact N-O 3.24Å; I242-F255 PolarHBondContact O-N 2.92Å; D253-F255 WeakPolarHBondContact O-CD1 3.43Å; F255-F257 AromaticContact CE2-CD1 3.98Å; F255-F257 HydrophobicContact CE2-CD1 3.98Å; F255-K302 HydrophobicContact CZ-CB 4.35Å; F255-K302 WeakPolarHBondContact CZ-O 3.34Å; F255-R305 HydrophobicContact CE1-CG 4.42Å; F255-R305 HydrophobicContact CE2-CG 4.18Å; F255-R305 HydrophobicContact CZ-CG 3.98Å
256	T	98.6	Very high	91.5	Very high	57 Å²	57	69.2 Å²	69.2	35%	0.35	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	154.8	171.3	76.1	0	0	0	0	110	L211 R239 V240 A241	L211-T256 HydrophobicContact CD2-CG2 4.27Å; R239-T256 PolarHBondContact NH1-OG1 3.32Å; V240-T256 CarbonylContact O-C 3.16Å; V240-T256 VanDerWaalsContact O-CA 3.23Å; V240-T256 WeakPolarHBondContact O-CA 3.39Å; V240-T256 WeakPolarHBondContact O-CB 3.46Å; A241-T256 HydrophobicContact CB-CG2 3.87Å
257	F	98.6	Very high	90.2	Very high	31 Å²	31	71.2 Å²	71.2	14%	0.136	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	147.7	173	65.9	-89.3	0	0	0	111	R239 V240 I242 F255 C259 W300	R239-F257 WeakPolarHBondContact CA-O 3.3Å; R239-F257 WeakPolarHBondContact CG-O 3.44Å; V240-F257 HydrophobicContact CB-CD1 4.25Å; V240-F257 HydrophobicContact CB-CE1 3.62Å; V240-F257 HydrophobicContact CB-CE2 4Å; V240-F257 HydrophobicContact CB-CZ 3.49Å; V240-F257 VanDerWaalsContact CB-CZ 3.49Å; V240-F257 HydrophobicContact CG1-CD1 4.48Å; V240-F257 HydrophobicContact CG1-CE1 3.58Å; V240-F257 HydrophobicContact CG1-CZ 3.71Å; V240-F257 HydrophobicContact CG2-CE2 4.36Å; V240-F257 HydrophobicContact CG2-CZ 4.05Å; V240-F257 PolarHBondContact N-O 2.79Å; V240-F257 PolarHBondContact O-N 3.48Å; I242-F257 HydrophobicContact CD1-CE1 4.13Å; I242-F257 HydrophobicContact CG1-CD1 4.42Å; I242-F257 HydrophobicContact CG1-CE1 4.06Å; F255-F257 AromaticContact CE2-CD1 3.98Å; F255-F257 HydrophobicContact CE2-CD1 3.98Å; F257-C259 HydrophobicContact CD2-CB 4.33Å; F257-C259 HydrophobicContact CE2-CB 4.13Å; F257-W300 HydrophobicContact CD2-CD2 4.34Å; F257-W300 AromaticContact CD2-CE3 3.93Å; F257-W300 HydrophobicContact CD2-CE3 3.93Å; F257-W300 HydrophobicContact CD2-CH2 4.04Å; F257-W300 HydrophobicContact CD2-CZ2 4.45Å; F257-W300 AromaticContact CD2-CZ3 3.76Å; F257-W300 HydrophobicContact CD2-CZ3 3.76Å; F257-W300 AromaticContact CE2-CD2 3.62Å; F257-W300 HydrophobicContact CE2-CD2 3.62Å; F257-W300 AromaticContact CE2-CE2 3.72Å; F257-W300 AromaticContact CE2-CE3 3.67Å; F257-W300 HydrophobicContact CE2-CE3 3.67Å; F257-W300 HydrophobicContact CE2-CG 4.23Å; F257-W300 AromaticContact CE2-CH2 3.97Å; F257-W300 HydrophobicContact CE2-CH2 3.97Å; F257-W300 AromaticContact CE2-CZ2 3.92Å; F257-W300 HydrophobicContact CE2-CZ2 3.92Å; F257-W300 AromaticContact CE2-CZ3 3.84Å; F257-W300 HydrophobicContact CE2-CZ3 3.84Å; F257-W300 HydrophobicContact CZ-CD2 4.14Å; F257-W300 HydrophobicContact CZ-CE3 4.4Å; F257-W300 HydrophobicContact CZ-CG 4.28Å
258	K	98.1	Very high	89.3	Confident	122 Å²	122	75.3 Å²	75.3	53%	0.53	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	140.3	176.2	-67	-178.3	-177.8	-177.5	0	109.7	G238	G238-K258 WeakPolarHBondContact O-CA 3.32Å
259	C	97.9	Very high	88.6	Confident	6 Å²	6	70.8 Å²	70.8	4%	0.041	41%	0.412	C	S	.	.			trans	-150.8	170.5	178.2	52	0	0	0	0	109.8	G238 F257 R261 W300	G238-C259 CarbonylContact C-O 3.48Å; G238-C259 WeakPolarHBondContact CA-O 3.36Å; G238-C259 PolarHBondContact O-N 3.17Å; F257-C259 HydrophobicContact CD2-CB 4.33Å; F257-C259 HydrophobicContact CE2-CB 4.13Å; C259-R261 WeakPolarHBondContact O-CG 3.48Å; C259-R261 PolarHBondContact O-N 3.15Å; C259-W300 HydrophobicContact CB-CH2 3.71Å; C259-W300 HydrophobicContact CB-CZ2 3.44Å; C259-W300 VanDerWaalsContact CB-CZ2 3.44Å
260	H	98.1	Very high	88.1	Confident	7 Å²	7	72.1 Å²	72.1	3%	0.032	43%	0.425	C	S	.	.	S	Bend	trans	47.4	56.5	176.9	-58.1	-74.4	0	0	0	112.6	Y274 T290 G292 D294 R296	H260-Y274 WeakPolarHBondContact O-CB 3.29Å; H260-Y274 WeakPolarHBondContact O-CD2 3.25Å; H260-Y274 PolarHBondContact O-N 2.87Å; H260-T290 WeakPolarHBondContact NE2-CB 3.3Å; H260-T290 PolarHBondContact NE2-OG1 2.9Å; H260-G292 PolarHBondContact CE1-N 3.29Å; H260-G292 VanDerWaalsContact CE1-N 3.34Å; H260-D294 IonicContact CE1-OD1 2.69Å; H260-D294 IonicContact CG-OD1 3.3Å; H260-D294 IonicContact ND1-OD1 2.68Å; H260-D294 PolarHBondContact ND1-OD1 2.7Å; H260-D294 IonicContact ND1-OD2 3.61Å; H260-R296 PolarHBondContact CE1-O 2.98Å
261	R	95.7	Very high	87.9	Confident	44 Å²	44	72.5 Å²	72.5	17%	0.166	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.6	-179.8	-76.2	160.4	-177.7	-94.5	-4	108.4	E237 G238 C259 Q271 D272 I273	E237-R261 PolarHBondContact O-NH2 3.22Å; E237-R261 IonicContact OE1-NH2 3.91Å; E237-R261 PolarHBondContact OE1-NH2 2.91Å; G238-R261 PolarHBondContact O-NE 3.04Å; G238-R261 VanDerWaalsContact O-NE 3.07Å; C259-R261 WeakPolarHBondContact O-CG 3.48Å; C259-R261 PolarHBondContact O-N 3.15Å; R261-Q271 HydrophobicContact CB-CG 3.96Å; R261-Q271 HydrophobicContact CG-CG 4.35Å; R261-Q271 VanDerWaalsContact NH1-OE1 3.1Å; R261-D272 CarbonylContact C-O 3.58Å; R261-D272 WeakPolarHBondContact CA-O 3.26Å; R261-I273 HydrophobicContact CG-CB 4.49Å; R261-I273 HydrophobicContact CG-CG1 4.23Å; R261-I273 HydrophobicContact CG-CG2 4.36Å; R261-I273 VanDerWaalsContact NH1-CD1 3.27Å
262	S	89.2	Confident	87.9	Confident	22 Å²	22	71.8 Å²	71.8	15%	0.154	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.1	177.9	-63	0	0	0	0	108.9	D272 R296	S262-D272 PolarHBondContact N-O 2.95Å; S262-D272 PolarHBondContact O-N 3.24Å; S262-R296 PolarHBondContact OG-NH1 3.25Å; S262-R296 VanDerWaalsContact OG-NH1 3.14Å
263	N	80.1	Confident	87.9	Confident	121 Å²	121	68.9 Å²	68.9	65%	0.647	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	139.1	168.3	-66.3	-6.6	0	0	0	107.5	Q271	N263-Q271 PolarHBondContact OD1-NE2 2.8Å
264	G	66.4	Low	88	Confident	27 Å²	27	69 Å²	69	28%	0.278	39%	0.392	S	S	.	.			trans	-61.7	172.4	169.4	0	0	0	0	0	111.9	N266	G264-N266 PolarHBondContact O-N 2.7Å
265	T	65.7	Low	88	Confident	145 Å²	145	67.9 Å²	67.9	89%	0.89	39%	0.387	S	S	*	.	S	Bend	trans	-58.8	-24	-172.2	49.8	0	0	0	0	114.5
266	N	66.6	Low	88	Confident	111 Å²	111	66.2 Å²	66.2	59%	0.594	38%	0.38	S	S	*	.	S	Bend	trans	-120.9	150.8	177.3	-66.1	-20.8	0	0	0	110.6	G264 S268 A269	G264-N266 PolarHBondContact O-N 2.7Å; N266-S268 PolarHBondContact O-N 2.73Å; N266-A269 VanDerWaalsContact O-CB 3.31Å; N266-A269 WeakPolarHBondContact O-CB 3.45Å; N266-A269 PolarHBondContact O-N 3.11Å
267	T	68.2	Low	88.1	Confident	161 Å²	161	64.2 Å²	64.2	99%	0.988	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-16.5	-177.3	49.6	0	0	0	0	114.8
268	S	78.5	Confident	88.1	Confident	107 Å²	107	63.1 Å²	63.1	75%	0.748	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-10.6	176.5	59.6	0	0	0	0	114.3	N266	N266-S268 PolarHBondContact O-N 2.73Å
269	A	80.8	Confident	88.1	Confident	35 Å²	35	58.1 Å²	58.1	29%	0.289	34%	0.344	S	S	.	.	S	Bend	trans	-69.8	145.2	-179.1	0	0	0	0	0	110.5	N266 Q271	N266-A269 VanDerWaalsContact O-CB 3.31Å; N266-A269 WeakPolarHBondContact O-CB 3.45Å; N266-A269 PolarHBondContact O-N 3.11Å; A269-Q271 PolarHBondContact O-N 2.75Å
270	P	86.6	Confident	88.2	Confident	104 Å²	104	58.6 Å²	58.6	68%	0.675	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-57.5	143.3	174.3	26.1	-33.8	0	0	0	109.9
271	Q	91.4	Very high	88.2	Confident	79 Å²	79	59.7 Å²	59.7	37%	0.369	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	119.9	173.3	175.3	173.9	89.7	0	0	108.8	R261 N263 A269	R261-Q271 HydrophobicContact CB-CG 3.96Å; R261-Q271 HydrophobicContact CG-CG 4.35Å; R261-Q271 VanDerWaalsContact NH1-OE1 3.1Å; N263-Q271 PolarHBondContact OD1-NE2 2.8Å; A269-Q271 PolarHBondContact O-N 2.75Å
272	D	95	Very high	88.3	Confident	82 Å²	82	57.8 Å²	57.8	44%	0.439	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	134.9	172.9	-67.6	-36.9	0	0	0	109.7	R261 S262 Y274	R261-D272 CarbonylContact C-O 3.58Å; R261-D272 WeakPolarHBondContact CA-O 3.26Å; S262-D272 PolarHBondContact N-O 2.95Å; S262-D272 PolarHBondContact O-N 3.24Å; D272-Y274 HydrophobicContact CB-CD2 4.35Å; D272-Y274 HydrophobicContact CB-CE2 3.4Å; D272-Y274 VanDerWaalsContact CB-CE2 3.4Å; D272-Y274 WeakPolarHBondContact CB-OH 3.49Å
273	I	97.5	Very high	88.6	Confident	78 Å²	78	59 Å²	59	40%	0.4	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.9	-176.8	-54.6	176.4	0	0	0	108.5	E237 R261	E237-I273 HydrophobicContact CG-CG2 4.32Å; E237-I273 VanDerWaalsContact O-CG2 3.28Å; E237-I273 WeakPolarHBondContact O-CG2 3.24Å; R261-I273 HydrophobicContact CG-CB 4.49Å; R261-I273 HydrophobicContact CG-CG1 4.23Å; R261-I273 HydrophobicContact CG-CG2 4.36Å; R261-I273 VanDerWaalsContact NH1-CD1 3.27Å
274	Y	98.5	Very high	89.4	Confident	40 Å²	40	58 Å²	58	16%	0.157	35%	0.351	C	S	.	.			trans	-122.3	152.6	-174.4	-60.4	-94.4	0	0	0	111.3	G238 H260 D272 D294	G238-Y274 WeakPolarHBondContact CA-O 3.31Å; G238-Y274 PolarHBondContact N-O 2.85Å; H260-Y274 WeakPolarHBondContact O-CB 3.29Å; H260-Y274 WeakPolarHBondContact O-CD2 3.25Å; H260-Y274 PolarHBondContact O-N 2.87Å; D272-Y274 HydrophobicContact CB-CD2 4.35Å; D272-Y274 HydrophobicContact CB-CE2 3.4Å; D272-Y274 VanDerWaalsContact CB-CE2 3.4Å; D272-Y274 WeakPolarHBondContact CB-OH 3.49Å; Y274-D294 HydrophobicContact CD1-CB 3.96Å; Y274-D294 HydrophobicContact CD2-CB 3.57Å; Y274-D294 HydrophobicContact CE1-CB 4.29Å; Y274-D294 HydrophobicContact CE2-CB 3.92Å; Y274-D294 HydrophobicContact CG-CB 3.58Å
275	A	98.8	Very high	90.8	Very high	12 Å²	12	59.7 Å²	59.7	10%	0.099	35%	0.352	C	S	.	.			trans	-70.1	149	179	0	0	0	0	0	111.8	I236 G292 S293	I236-A275 HydrophobicContact CB-CB 4.05Å; I236-A275 HydrophobicContact CG2-CB 4.16Å; A275-G292 CarbonylContact O-C 3.56Å; A275-G292 WeakPolarHBondContact O-CA 3.36Å; A275-S293 WeakPolarHBondContact CB-OG 3.29Å; A275-S293 PolarHBondContact O-N 2.88Å
276	V	98.9	Very high	92.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	103.2	169	-168.6	0	0	0	0	108.3	R216 C217 S235 V240 V291	R216-V276 WeakPolarHBondContact CB-O 3.48Å; R216-V276 WeakPolarHBondContact CG-O 3.47Å; C217-V276 PolarHBondContact SG-O 3.39Å; S235-V276 PolarHBondContact O-N 2.77Å; S235-V276 VanDerWaalsContact O-N 3.09Å; V240-V276 HydrophobicContact CG2-CG1 4.2Å; V240-V276 HydrophobicContact CG2-CG2 4.24Å; V276-V291 CarbonylContact C-O 3.53Å
277	N	98.9	Very high	93.7	Very high	14 Å²	14	49 Å²	49	8%	0.075	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-34.1	-173.3	-73	-34	0	0	0	113.2	R216 V291 I318 D337	R216-N277 PolarHBondContact NE-OD1 3.38Å; R216-N277 PolarHBondContact NH2-OD1 3.47Å; R216-N277 VanDerWaalsContact NH2-OD1 3.09Å; N277-V291 PolarHBondContact N-O 2.93Å; N277-I318 WeakPolarHBondContact CB-O 3.42Å; N277-I318 PolarHBondContact ND2-O 2.54Å; N277-D337 PolarHBondContact ND2-OD2 2.83Å
278	G	98.8	Very high	95.1	Very high	9 Å²	9	41.3 Å²	41.3	9%	0.093	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	152.9	-179.1	0	0	0	0	0	112.3	T290 V291	G278-T290 WeakPolarHBondContact O-CA 3.3Å; G278-V291 PolarHBondContact N-O 3.01Å; G278-V291 PolarHBondContact O-N 2.89Å
279	I	98.9	Very high	96.1	Very high	17 Å²	17	36.2 Å²	36.2	9%	0.087	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	131.7	178.3	-171.6	164.2	0	0	0	109.1	C217 A219 A232 V240 L288 A289 T290	C217-I279 HydrophobicContact CB-CG2 3.97Å; A219-I279 HydrophobicContact CB-CG1 4.45Å; A219-I279 HydrophobicContact CB-CG2 3.87Å; A232-I279 HydrophobicContact CB-CD1 3.36Å; A232-I279 HydrophobicContact CB-CG1 4.38Å; V240-I279 HydrophobicContact CG1-CD1 3.82Å; V240-I279 HydrophobicContact CG2-CD1 4.21Å; I279-L288 HydrophobicContact CD1-CD1 3.7Å; I279-L288 HydrophobicContact CG1-CD1 3.99Å; I279-A289 WeakPolarHBondContact CA-O 3.41Å; I279-T290 HydrophobicContact CD1-CG2 4.15Å; I279-T290 HydrophobicContact CG1-CG2 4.16Å
280	A	98.8	Very high	97	Very high	15 Å²	15	34.6 Å²	34.6	12%	0.124	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	135.3	-179.4	0	0	0	0	0	110.4	L288 A289 F323	A280-L288 CarbonylContact O-C 3.56Å; A280-L288 WeakPolarHBondContact O-CA 3.33Å; A280-A289 PolarHBondContact N-O 3.08Å; A280-A289 PolarHBondContact O-N 3.25Å; A280-F323 HydrophobicContact CB-CD2 3.99Å; A280-F323 HydrophobicContact CB-CE2 4.13Å
281	F	98.6	Very high	97.5	Very high	30 Å²	30	29.6 Å²	29.6	13%	0.132	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	140.5	172.3	-79.6	-85.4	0	0	0	110.6	A219 F221 A232 G286 T287 L288 K302 F323	A219-F281 HydrophobicContact CB-CD2 3.85Å; A219-F281 HydrophobicContact CB-CE2 4.1Å; F221-F281 HydrophobicContact CB-CD1 3.88Å; F221-F281 HydrophobicContact CB-CD2 3.84Å; F221-F281 HydrophobicContact CB-CE1 3.66Å; F221-F281 HydrophobicContact CB-CE2 3.64Å; F221-F281 HydrophobicContact CB-CG 3.97Å; F221-F281 HydrophobicContact CB-CZ 3.55Å; F221-F281 HydrophobicContact CD1-CE1 4.27Å; F221-F281 AromaticContact CD1-CE2 3.84Å; F221-F281 HydrophobicContact CD1-CE2 3.84Å; F221-F281 AromaticContact CD1-CZ 3.52Å; F221-F281 HydrophobicContact CD1-CZ 3.52Å; F221-F281 HydrophobicContact CG-CE1 4.19Å; F221-F281 HydrophobicContact CG-CE2 4.21Å; F221-F281 AromaticContact CG-CZ 3.85Å; F221-F281 HydrophobicContact CG-CZ 3.85Å; A232-F281 HydrophobicContact CB-CE2 3.74Å; A232-F281 HydrophobicContact CB-CZ 3.83Å; F281-G286 WeakPolarHBondContact CD1-O 3.2Å; F281-T287 CarbonylContact C-O 3.58Å; F281-T287 WeakPolarHBondContact CA-O 3.23Å; F281-L288 HydrophobicContact CD1-CB 3.77Å; F281-L288 HydrophobicContact CE1-CB 3.76Å; F281-L288 HydrophobicContact CE1-CD2 3.96Å; F281-L288 HydrophobicContact CE1-CG 4.29Å; F281-L288 HydrophobicContact CG-CB 4.21Å; F281-L288 HydrophobicContact CZ-CB 4.17Å; F281-L288 HydrophobicContact CZ-CD1 4.28Å; F281-L288 HydrophobicContact CZ-CD2 4.4Å; F281-K302 HydrophobicContact CE1-CD 3.94Å; F281-K302 HydrophobicContact CE1-CG 4.46Å; F281-K302 HydrophobicContact CZ-CD 4.26Å; F281-F323 WeakPolarHBondContact O-CD2 3.34Å
282	H	98.2	Very high	97.9	Very high	5 Å²	5	25.9 Å²	25.9	2%	0.023	15%	0.15	C	C	.	.			trans	-64.6	126.7	168.7	-172.6	-49	0	0	0	108.4	V284 H285 G286 T287 F323 G327	H282-V284 PolarHBondContact ND1-N 2.85Å; H282-V284 PolarHBondContact O-N 2.87Å; H282-H285 HydrophobicContact CB-CB 4.31Å; H282-H285 AromaticContact CD2-CD2 3.62Å; H282-H285 AromaticContact CE1-CD2 3.59Å; H282-H285 PolarHBondContact ND1-N 3.36Å; H282-H285 AromaticContact NE2-CD2 3.29Å; H282-H285 PolarHBondContact NE2-CD2 3.08Å; H282-H285 VanDerWaalsContact NE2-CD2 3.29Å; H282-H285 AromaticContact NE2-NE2 3.83Å; H282-G286 PolarHBondContact O-N 3.33Å; H282-T287 PolarHBondContact N-O 2.99Å; H282-F323 HydrophobicContact CB-CE2 4.47Å; H282-G327 PolarHBondContact NE2-O 3.05Å
283	P	96.5	Very high	98.1	Very high	46 Å²	46	22.4 Å²	22.4	30%	0.299	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-12	-169.5	23	-34.9	0	0	0	115.3
284	V	95.6	Very high	98.1	Very high	101 Å²	101	19.1 Å²	19.1	61%	0.612	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.7	-47.9	-173.6	-177.9	0	0	0	0	111.1	H282 N326	H282-V284 PolarHBondContact ND1-N 2.85Å; H282-V284 PolarHBondContact O-N 2.87Å; V284-N326 WeakPolarHBondContact CG2-O 3.5Å
285	H	95.2	Very high	98.1	Very high	63 Å²	63	17.3 Å²	17.3	29%	0.292	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-17.8	-172.2	-63	-30.9	0	0	0	114.9	H282 T287	H282-H285 HydrophobicContact CB-CB 4.31Å; H282-H285 AromaticContact CD2-CD2 3.62Å; H282-H285 AromaticContact CE1-CD2 3.59Å; H282-H285 PolarHBondContact ND1-N 3.36Å; H282-H285 AromaticContact NE2-CD2 3.29Å; H282-H285 PolarHBondContact NE2-CD2 3.08Å; H282-H285 VanDerWaalsContact NE2-CD2 3.29Å; H282-H285 AromaticContact NE2-NE2 3.83Å; H285-T287 PolarHBondContact O-N 3Å
286	G	96	Very high	98	Very high	29 Å²	29	19.1 Å²	19.1	30%	0.299	11%	0.113	S	C	.	.			trans	72.4	-0.8	-179.3	0	0	0	0	0	115.2	F281 H282	F281-G286 WeakPolarHBondContact CD1-O 3.2Å; H282-G286 PolarHBondContact O-N 3.33Å
287	T	97.7	Very high	98	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.012	11%	0.113	C	C	.	.			trans	-71.1	165.8	164.1	52.2	0	0	0	0	110.1	F281 H282 H285 W300 D301 L308 L362 P364	F281-T287 CarbonylContact C-O 3.58Å; F281-T287 WeakPolarHBondContact CA-O 3.23Å; H282-T287 PolarHBondContact N-O 2.99Å; H285-T287 PolarHBondContact O-N 3Å; T287-W300 WeakPolarHBondContact CA-O 3.29Å; T287-W300 VanDerWaalsContact CB-O 3.27Å; T287-W300 WeakPolarHBondContact CB-O 3.39Å; T287-D301 HydrophobicContact CG2-CB 4.22Å; T287-L308 HydrophobicContact CG2-CD1 3.86Å; T287-L362 WeakPolarHBondContact CB-O 3.46Å; T287-L362 VanDerWaalsContact CG2-O 3.24Å; T287-L362 WeakPolarHBondContact CG2-O 3.28Å; T287-L362 PolarHBondContact OG1-O 3.06Å; T287-P364 HydrophobicContact CG2-CB 4.42Å
288	L	98.5	Very high	98	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	151.3	-176.5	66.8	155.3	0	0	0	113.1	A232 I279 A280 F281 T290 F299 W300 K302	A232-L288 HydrophobicContact CB-CD1 4.38Å; I279-L288 HydrophobicContact CD1-CD1 3.7Å; I279-L288 HydrophobicContact CG1-CD1 3.99Å; A280-L288 CarbonylContact O-C 3.56Å; A280-L288 WeakPolarHBondContact O-CA 3.33Å; F281-L288 HydrophobicContact CD1-CB 3.77Å; F281-L288 HydrophobicContact CE1-CB 3.76Å; F281-L288 HydrophobicContact CE1-CD2 3.96Å; F281-L288 HydrophobicContact CE1-CG 4.29Å; F281-L288 HydrophobicContact CG-CB 4.21Å; F281-L288 HydrophobicContact CZ-CB 4.17Å; F281-L288 HydrophobicContact CZ-CD1 4.28Å; F281-L288 HydrophobicContact CZ-CD2 4.4Å; L288-T290 HydrophobicContact CD1-CG2 4.17Å; L288-F299 CarbonylContact O-C 3.51Å; L288-F299 WeakPolarHBondContact O-CA 3.28Å; L288-W300 HydrophobicContact CD2-CB 3.76Å; L288-W300 HydrophobicContact CG-CB 3.99Å; L288-W300 HydrophobicContact CG-CG 4.46Å; L288-W300 PolarHBondContact N-O 3.4Å; L288-W300 PolarHBondContact O-N 3.05Å; L288-K302 HydrophobicContact CD2-CB 3.95Å; L288-K302 HydrophobicContact CD2-CG 4.34Å
289	A	98.8	Very high	98	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.7	166.4	0	0	0	0	0	110.4	I279 A280 S298 F299 F323 F330	I279-A289 WeakPolarHBondContact CA-O 3.41Å; A280-A289 PolarHBondContact N-O 3.08Å; A280-A289 PolarHBondContact O-N 3.25Å; A289-S298 CarbonylContact C-O 3.52Å; A289-S298 WeakPolarHBondContact CA-O 3.4Å; A289-F299 HydrophobicContact CB-CD1 3.71Å; A289-F299 HydrophobicContact CB-CE1 3.75Å; A289-F323 HydrophobicContact CB-CE2 3.94Å; A289-F323 HydrophobicContact CB-CZ 3.86Å; A289-F330 HydrophobicContact CB-CD2 4.26Å; A289-F330 HydrophobicContact CB-CE2 3.54Å; A289-F330 HydrophobicContact CB-CZ 3.9Å
290	T	98.9	Very high	98	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.7	167.8	66.6	0	0	0	0	109.2	V240 H260 G278 I279 L288 F297 S298 W300	V240-T290 HydrophobicContact CG2-CG2 4.1Å; H260-T290 WeakPolarHBondContact NE2-CB 3.3Å; H260-T290 PolarHBondContact NE2-OG1 2.9Å; G278-T290 WeakPolarHBondContact O-CA 3.3Å; I279-T290 HydrophobicContact CD1-CG2 4.15Å; I279-T290 HydrophobicContact CG1-CG2 4.16Å; L288-T290 HydrophobicContact CD1-CG2 4.17Å; T290-F297 CarbonylContact O-C 3.53Å; T290-F297 VanDerWaalsContact O-CA 3.25Å; T290-F297 WeakPolarHBondContact O-CA 3.3Å; T290-S298 PolarHBondContact N-O 3.47Å; T290-S298 PolarHBondContact O-N 3.06Å; T290-W300 PolarHBondContact OG1-NE1 2.97Å
291	V	98.9	Very high	97.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.7	176.9	-58.4	0	0	0	0	110.3	V276 N277 G278 F297 I318 C321 F330	V276-V291 CarbonylContact C-O 3.53Å; N277-V291 PolarHBondContact N-O 2.93Å; G278-V291 PolarHBondContact N-O 3.01Å; G278-V291 PolarHBondContact O-N 2.89Å; V291-F297 HydrophobicContact CG1-CB 3.78Å; V291-I318 HydrophobicContact CB-CB 3.9Å; V291-I318 HydrophobicContact CB-CG2 3.51Å; V291-I318 HydrophobicContact CG1-CG2 3.76Å; V291-I318 HydrophobicContact CG2-CB 4.49Å; V291-I318 HydrophobicContact CG2-CG2 3.89Å; V291-C321 HydrophobicContact CG1-CB 3.68Å; V291-C321 HydrophobicContact CG2-CB 4.08Å; V291-F330 HydrophobicContact CG1-CZ 3.91Å
292	G	98.7	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	173.3	-171	0	0	0	0	0	116.2	H260 A275 D294 G295 R296 I318	H260-G292 PolarHBondContact CE1-N 3.29Å; H260-G292 VanDerWaalsContact CE1-N 3.34Å; A275-G292 CarbonylContact O-C 3.56Å; A275-G292 WeakPolarHBondContact O-CA 3.36Å; G292-D294 PolarHBondContact O-N 2.89Å; G292-D294 VanDerWaalsContact O-N 3.13Å; G292-G295 PolarHBondContact O-N 3.25Å; G292-R296 PolarHBondContact N-O 3.17Å; G292-I318 PolarHBondContact O-N 2.78Å
293	S	98.7	Very high	97.7	Very high	10 Å²	10	22.5 Å²	22.5	7%	0.07	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-9.4	-179.3	-45.3	0	0	0	0	113.9	A275 G295 D337	A275-S293 WeakPolarHBondContact CB-OG 3.29Å; A275-S293 PolarHBondContact O-N 2.88Å; S293-G295 PolarHBondContact O-N 3.2Å; S293-D337 WeakPolarHBondContact CB-OD2 3.34Å; S293-D337 PolarHBondContact OG-OD2 3.29Å
294	D	97.8	Very high	97.6	Very high	9 Å²	9	22.8 Å²	22.8	5%	0.048	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	1.1	174.8	69.7	-34.8	0	0	0	113.5	H260 Y274 G292 R296 Q313	H260-D294 IonicContact CE1-OD1 2.69Å; H260-D294 IonicContact CG-OD1 3.3Å; H260-D294 IonicContact ND1-OD1 2.68Å; H260-D294 PolarHBondContact ND1-OD1 2.7Å; H260-D294 IonicContact ND1-OD2 3.61Å; Y274-D294 HydrophobicContact CD1-CB 3.96Å; Y274-D294 HydrophobicContact CD2-CB 3.57Å; Y274-D294 HydrophobicContact CE1-CB 4.29Å; Y274-D294 HydrophobicContact CE2-CB 3.92Å; Y274-D294 HydrophobicContact CG-CB 3.58Å; G292-D294 PolarHBondContact O-N 2.89Å; G292-D294 VanDerWaalsContact O-N 3.13Å; D294-R296 VanDerWaalsContact C-N 3.33Å; D294-R296 PolarHBondContact OD1-N 3.17Å; D294-R296 IonicContact OD2-NH1 2.95Å; D294-R296 PolarHBondContact OD2-NH1 2.84Å; D294-Q313 WeakPolarHBondContact O-CG 3.42Å; D294-Q313 PolarHBondContact O-NE2 2.85Å
295	G	98.1	Very high	97.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	13%	0.127	C	C	.	.	S	Bend	trans	72.7	26.5	-179.1	0	0	0	0	0	112.8	G292 S293 Q313 L314 Q316	G292-G295 PolarHBondContact O-N 3.25Å; S293-G295 PolarHBondContact O-N 3.2Å; G295-Q313 WeakPolarHBondContact O-CA 3.47Å; G295-L314 WeakPolarHBondContact O-CD1 3.48Å; G295-L314 PolarHBondContact O-N 3.04Å; G295-Q316 WeakPolarHBondContact CA-O 3.25Å
296	R	98.4	Very high	97.7	Very high	50 Å²	50	23.6 Å²	23.6	19%	0.189	13%	0.127	C	C	.	.			trans	-127.3	150.4	178.7	-62.5	-172.1	177.8	84.6	1.3	112.1	H260 S262 G292 D294 S311 Q313 I318	H260-R296 PolarHBondContact CE1-O 2.98Å; S262-R296 PolarHBondContact OG-NH1 3.25Å; S262-R296 VanDerWaalsContact OG-NH1 3.14Å; G292-R296 PolarHBondContact N-O 3.17Å; D294-R296 VanDerWaalsContact C-N 3.33Å; D294-R296 PolarHBondContact OD1-N 3.17Å; D294-R296 IonicContact OD2-NH1 2.95Å; D294-R296 PolarHBondContact OD2-NH1 2.84Å; R296-S311 WeakPolarHBondContact CA-OG 3.29Å; R296-Q313 HydrophobicContact CG-CB 4.09Å; R296-Q313 VanDerWaalsContact CZ-CB 3.46Å; R296-Q313 VanDerWaalsContact NH2-CB 3.32Å; R296-I318 VanDerWaalsContact C-CD1 3.44Å
297	F	98.5	Very high	97.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	154.1	161.3	63.7	-101.5	0	0	0	110.4	T290 V291 F299 K309 S311 I318 F330 Y332	T290-F297 CarbonylContact O-C 3.53Å; T290-F297 VanDerWaalsContact O-CA 3.25Å; T290-F297 WeakPolarHBondContact O-CA 3.3Å; V291-F297 HydrophobicContact CG1-CB 3.78Å; F297-F299 HydrophobicContact CD2-CD1 4.43Å; F297-F299 AromaticContact CD2-CE1 3.84Å; F297-F299 HydrophobicContact CD2-CE1 3.84Å; F297-F299 HydrophobicContact CD2-CE2 4.32Å; F297-F299 AromaticContact CD2-CZ 3.77Å; F297-F299 HydrophobicContact CD2-CZ 3.77Å; F297-F299 HydrophobicContact CE2-CE1 4.21Å; F297-F299 AromaticContact CE2-CE2 3.94Å; F297-F299 HydrophobicContact CE2-CE2 3.94Å; F297-F299 AromaticContact CE2-CZ 3.65Å; F297-F299 HydrophobicContact CE2-CZ 3.65Å; F297-K309 HydrophobicContact CE2-CD 4.39Å; F297-S311 VanDerWaalsContact CE1-CB 3.41Å; F297-S311 VanDerWaalsContact CZ-CB 3.48Å; F297-S311 PolarHBondContact N-OG 2.83Å; F297-S311 PolarHBondContact O-N 3.31Å; F297-S311 PolarHBondContact O-OG 2.84Å; F297-I318 HydrophobicContact CB-CD1 4.21Å; F297-I318 HydrophobicContact CD1-CD1 4.12Å; F297-F330 HydrophobicContact CB-CE1 4.01Å; F297-F330 HydrophobicContact CB-CZ 4.27Å; F297-F330 HydrophobicContact CD1-CE1 4.1Å; F297-F330 HydrophobicContact CD2-CE1 4.18Å; F297-F330 AromaticContact CG-CE1 3.86Å; F297-F330 HydrophobicContact CG-CE1 3.86Å; F297-Y332 HydrophobicContact CD1-CD1 4.32Å; F297-Y332 HydrophobicContact CD1-CD2 4.43Å; F297-Y332 HydrophobicContact CD1-CE1 4.15Å; F297-Y332 HydrophobicContact CD1-CE2 4.27Å; F297-Y332 HydrophobicContact CD1-CG 4.46Å; F297-Y332 HydrophobicContact CE1-CD1 4.37Å; F297-Y332 AromaticContact CE1-CE1 3.78Å; F297-Y332 HydrophobicContact CE1-CE1 3.78Å; F297-Y332 HydrophobicContact CE1-CE2 4.29Å; F297-Y332 AromaticContact CE1-CZ 3.75Å
298	S	98.5	Very high	97.7	Very high	5 Å²	5	28.7 Å²	28.7	4%	0.035	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.6	171.3	-70.8	0	0	0	0	111	A289 T290 W300 K309 T310	A289-S298 CarbonylContact C-O 3.52Å; A289-S298 WeakPolarHBondContact CA-O 3.4Å; T290-S298 PolarHBondContact N-O 3.47Å; T290-S298 PolarHBondContact O-N 3.06Å; S298-W300 PolarHBondContact O-NE1 3.22Å; S298-K309 CarbonylContact C-O 3.5Å; S298-K309 WeakPolarHBondContact CA-O 3.48Å; S298-K309 WeakPolarHBondContact CB-O 3.35Å; S298-T310 PolarHBondContact OG-OG1 2.66Å
299	F	98.3	Very high	97.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	140.2	175.5	-58.6	-32.2	0	0	0	109.9	L288 A289 F297 L308 K309 F330 A358 E361 L362	L288-F299 CarbonylContact O-C 3.51Å; L288-F299 WeakPolarHBondContact O-CA 3.28Å; A289-F299 HydrophobicContact CB-CD1 3.71Å; A289-F299 HydrophobicContact CB-CE1 3.75Å; F297-F299 HydrophobicContact CD2-CD1 4.43Å; F297-F299 AromaticContact CD2-CE1 3.84Å; F297-F299 HydrophobicContact CD2-CE1 3.84Å; F297-F299 HydrophobicContact CD2-CE2 4.32Å; F297-F299 AromaticContact CD2-CZ 3.77Å; F297-F299 HydrophobicContact CD2-CZ 3.77Å; F297-F299 HydrophobicContact CE2-CE1 4.21Å; F297-F299 AromaticContact CE2-CE2 3.94Å; F297-F299 HydrophobicContact CE2-CE2 3.94Å; F297-F299 AromaticContact CE2-CZ 3.65Å; F297-F299 HydrophobicContact CE2-CZ 3.65Å; F299-L308 HydrophobicContact CB-CB 3.99Å; F299-L308 HydrophobicContact CB-CD1 4.4Å; F299-L308 WeakPolarHBondContact O-CB 3.3Å; F299-L308 PolarHBondContact O-N 3.4Å; F299-K309 HydrophobicContact CB-CB 4.36Å; F299-K309 HydrophobicContact CD2-CB 3.96Å; F299-K309 HydrophobicContact CD2-CD 4.03Å; F299-K309 HydrophobicContact CE2-CD 4.07Å; F299-K309 HydrophobicContact CG-CB 4.49Å; F299-K309 PolarHBondContact N-O 2.7Å; F299-K309 PolarHBondContact O-N 3.18Å; F299-F330 HydrophobicContact CE1-CD1 4.05Å; F299-F330 HydrophobicContact CE1-CE1 4.04Å; F299-F330 HydrophobicContact CE1-CG 4.3Å; F299-F330 HydrophobicContact CE1-CZ 4.29Å; F299-F330 AromaticContact CZ-CD1 3.95Å; F299-F330 HydrophobicContact CZ-CD1 3.95Å; F299-F330 HydrophobicContact CZ-CE1 4.3Å; F299-F330 HydrophobicContact CZ-CG 4.32Å; F299-A358 HydrophobicContact CE2-CB 4.29Å; F299-A358 HydrophobicContact CZ-CB 4.19Å; F299-E361 HydrophobicContact CD2-CB 4Å; F299-E361 HydrophobicContact CE2-CB 3.92Å; F299-E361 WeakPolarHBondContact CE2-OE2 3.2Å; F299-L362 HydrophobicContact CB-CD2 3.81Å; F299-L362 HydrophobicContact CB-CG 4.48Å; F299-L362 HydrophobicContact CD1-CD2 3.69Å; F299-L362 HydrophobicContact CD1-CG 4.23Å; F299-L362 HydrophobicContact CD2-CD2 4.14Å; F299-L362 HydrophobicContact CD2-CG 3.97Å; F299-L362 HydrophobicContact CE1-CD1 4.31Å; F299-L362 HydrophobicContact CE1-CD2 4.29Å; F299-L362 HydrophobicContact CE1-CG 4.48Å; F299-L362 HydrophobicContact CE2-CD1 4.39Å; F299-L362 HydrophobicContact CE2-CG 4.23Å; F299-L362 HydrophobicContact CG-CD2 3.61Å; F299-L362 HydrophobicContact CG-CG 3.98Å; F299-L362 HydrophobicContact CZ-CD1 4.26Å; F299-L362 HydrophobicContact CZ-CG 4.49Å
300	W	98.4	Very high	97.4	Very high	28 Å²	28	33.7 Å²	33.7	11%	0.106	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	144.7	-171	-46.6	83.4	0	0	0	111.2	F257 C259 T287 L288 T290 S298 K307	F257-W300 HydrophobicContact CD2-CD2 4.34Å; F257-W300 AromaticContact CD2-CE3 3.93Å; F257-W300 HydrophobicContact CD2-CE3 3.93Å; F257-W300 HydrophobicContact CD2-CH2 4.04Å; F257-W300 HydrophobicContact CD2-CZ2 4.45Å; F257-W300 AromaticContact CD2-CZ3 3.76Å; F257-W300 HydrophobicContact CD2-CZ3 3.76Å; F257-W300 AromaticContact CE2-CD2 3.62Å; F257-W300 HydrophobicContact CE2-CD2 3.62Å; F257-W300 AromaticContact CE2-CE2 3.72Å; F257-W300 AromaticContact CE2-CE3 3.67Å; F257-W300 HydrophobicContact CE2-CE3 3.67Å; F257-W300 HydrophobicContact CE2-CG 4.23Å; F257-W300 AromaticContact CE2-CH2 3.97Å; F257-W300 HydrophobicContact CE2-CH2 3.97Å; F257-W300 AromaticContact CE2-CZ2 3.92Å; F257-W300 HydrophobicContact CE2-CZ2 3.92Å; F257-W300 AromaticContact CE2-CZ3 3.84Å; F257-W300 HydrophobicContact CE2-CZ3 3.84Å; F257-W300 HydrophobicContact CZ-CD2 4.14Å; F257-W300 HydrophobicContact CZ-CE3 4.4Å; F257-W300 HydrophobicContact CZ-CG 4.28Å; C259-W300 HydrophobicContact CB-CH2 3.71Å; C259-W300 HydrophobicContact CB-CZ2 3.44Å; C259-W300 VanDerWaalsContact CB-CZ2 3.44Å; T287-W300 WeakPolarHBondContact CA-O 3.29Å; T287-W300 VanDerWaalsContact CB-O 3.27Å; T287-W300 WeakPolarHBondContact CB-O 3.39Å; L288-W300 HydrophobicContact CD2-CB 3.76Å; L288-W300 HydrophobicContact CG-CB 3.99Å; L288-W300 HydrophobicContact CG-CG 4.46Å; L288-W300 PolarHBondContact N-O 3.4Å; L288-W300 PolarHBondContact O-N 3.05Å; T290-W300 PolarHBondContact OG1-NE1 2.97Å; S298-W300 PolarHBondContact O-NE1 3.22Å; W300-K307 HydrophobicContact CD2-CG 4.29Å; W300-K307 HydrophobicContact CE3-CB 3.81Å; W300-K307 HydrophobicContact CE3-CD 4.41Å; W300-K307 HydrophobicContact CE3-CG 3.88Å; W300-K307 HydrophobicContact CH2-CD 3.74Å; W300-K307 HydrophobicContact CH2-CG 4.1Å; W300-K307 HydrophobicContact CZ2-CD 4.26Å; W300-K307 HydrophobicContact CZ2-CG 4.47Å; W300-K307 HydrophobicContact CZ3-CB 3.77Å; W300-K307 HydrophobicContact CZ3-CD 3.83Å; W300-K307 HydrophobicContact CZ3-CG 3.79Å
301	D	97.6	Very high	97.4	Very high	12 Å²	12	34 Å²	34	6%	0.064	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	105.7	164.4	-178.7	-19.2	0	0	0	108	T287 D303 A304 R305 T306 L308 P364	T287-D301 HydrophobicContact CG2-CB 4.22Å; D301-D303 VanDerWaalsContact C-N 3.29Å; D301-D303 PolarHBondContact O-N 3.01Å; D301-D303 PolarHBondContact OD1-N 3.09Å; D301-A304 HydrophobicContact CB-CB 4.11Å; D301-A304 VanDerWaalsContact CG-CB 3.45Å; D301-A304 PolarHBondContact OD1-N 3.06Å; D301-A304 VanDerWaalsContact OD2-CB 3.3Å; D301-A304 WeakPolarHBondContact OD2-CB 3.48Å; D301-R305 CarbonylContact O-C 3.48Å; D301-R305 VanDerWaalsContact O-CA 3.28Å; D301-R305 WeakPolarHBondContact O-CA 3.34Å; D301-R305 PolarHBondContact O-N 3.18Å; D301-T306 PolarHBondContact N-O 3.13Å; D301-T306 PolarHBondContact O-N 2.83Å; D301-L308 HydrophobicContact CB-CD1 4.43Å; D301-L308 HydrophobicContact CB-CD2 4.14Å; D301-L308 HydrophobicContact CB-CG 4.35Å; D301-P364 WeakPolarHBondContact OD2-CB 3.31Å
302	K	97.1	Very high	97.2	Very high	15 Å²	15	39.4 Å²	39.4	7%	0.065	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-27.4	-178.8	61.6	159	-177.2	65.6	0	112.9	F221 I242 Y244 F255 F281 L288	F221-K302 HydrophobicContact CD1-CD 4.42Å; F221-K302 HydrophobicContact CD2-CD 4.45Å; F221-K302 VanDerWaalsContact CD2-CE 3.48Å; F221-K302 HydrophobicContact CE1-CD 4.41Å; F221-K302 HydrophobicContact CE2-CD 4.45Å; F221-K302 HydrophobicContact CG-CD 4.44Å; F221-K302 HydrophobicContact CZ-CD 4.44Å; I242-K302 HydrophobicContact CD1-CB 4.26Å; I242-K302 HydrophobicContact CG1-CB 4.27Å; I242-K302 HydrophobicContact CG2-CD 4.16Å; Y244-K302 PolarHBondContact OH-NZ 3.26Å; F255-K302 HydrophobicContact CZ-CB 4.35Å; F255-K302 WeakPolarHBondContact CZ-O 3.34Å; F281-K302 HydrophobicContact CE1-CD 3.94Å; F281-K302 HydrophobicContact CE1-CG 4.46Å; F281-K302 HydrophobicContact CZ-CD 4.26Å; L288-K302 HydrophobicContact CD2-CB 3.95Å; L288-K302 HydrophobicContact CD2-CG 4.34Å
303	D	94.8	Very high	97.1	Very high	102 Å²	102	43.4 Å²	43.4	55%	0.545	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-41.3	-175.5	-63.4	-63.5	0	0	0	110.1	Y244 D301 R305	Y244-D303 PolarHBondContact OH-OD1 2.92Å; D301-D303 VanDerWaalsContact C-N 3.29Å; D301-D303 PolarHBondContact O-N 3.01Å; D301-D303 PolarHBondContact OD1-N 3.09Å; D303-R305 VanDerWaalsContact C-N 3.27Å
304	A	95.5	Very high	97	Very high	52 Å²	52	43.2 Å²	43.2	43%	0.43	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-13.1	169.7	0	0	0	0	0	113.2	D301 T306	D301-A304 HydrophobicContact CB-CB 4.11Å; D301-A304 VanDerWaalsContact CG-CB 3.45Å; D301-A304 PolarHBondContact OD1-N 3.06Å; D301-A304 VanDerWaalsContact OD2-CB 3.3Å; D301-A304 WeakPolarHBondContact OD2-CB 3.48Å; A304-T306 VanDerWaalsContact C-N 3.27Å; A304-T306 HydrophobicContact CB-CG2 4.33Å; A304-T306 PolarHBondContact O-N 3.15Å
305	R	96	Very high	96.9	Very high	134 Å²	134	45.3 Å²	45.3	51%	0.506	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	41	-173	-55.3	-176.2	-178.3	-166.6	-4.1	112.5	K252 F255 D301 D303	K252-R305 PolarHBondContact O-NH2 3.18Å; F255-R305 HydrophobicContact CE1-CG 4.42Å; F255-R305 HydrophobicContact CE2-CG 4.18Å; F255-R305 HydrophobicContact CZ-CG 3.98Å; D301-R305 CarbonylContact O-C 3.48Å; D301-R305 VanDerWaalsContact O-CA 3.28Å; D301-R305 WeakPolarHBondContact O-CA 3.34Å; D301-R305 PolarHBondContact O-N 3.18Å; D303-R305 VanDerWaalsContact C-N 3.27Å
306	T	96.3	Very high	96.8	Very high	47 Å²	47	45.9 Å²	45.9	29%	0.288	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.9	-177.9	58.1	0	0	0	0	111.9	D301 A304	D301-T306 PolarHBondContact N-O 3.13Å; D301-T306 PolarHBondContact O-N 2.83Å; A304-T306 VanDerWaalsContact C-N 3.27Å; A304-T306 HydrophobicContact CB-CG2 4.33Å; A304-T306 PolarHBondContact O-N 3.15Å
307	K	96.8	Very high	96.8	Very high	106 Å²	106	44.2 Å²	44.2	46%	0.461	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	129.2	168.5	-168.7	174.6	69.6	161.7	0	109	W300 T310	W300-K307 HydrophobicContact CD2-CG 4.29Å; W300-K307 HydrophobicContact CE3-CB 3.81Å; W300-K307 HydrophobicContact CE3-CD 4.41Å; W300-K307 HydrophobicContact CE3-CG 3.88Å; W300-K307 HydrophobicContact CH2-CD 3.74Å; W300-K307 HydrophobicContact CH2-CG 4.1Å; W300-K307 HydrophobicContact CZ2-CD 4.26Å; W300-K307 HydrophobicContact CZ2-CG 4.47Å; W300-K307 HydrophobicContact CZ3-CB 3.77Å; W300-K307 HydrophobicContact CZ3-CD 3.83Å; W300-K307 HydrophobicContact CZ3-CG 3.79Å; K307-T310 VanDerWaalsContact CD-OG1 3.29Å; K307-T310 WeakPolarHBondContact CD-OG1 3.18Å; K307-T310 WeakPolarHBondContact CE-OG1 3.43Å; K307-T310 PolarHBondContact NZ-OG1 3.39Å
308	L	96.3	Very high	96.8	Very high	32 Å²	32	44.2 Å²	44.2	17%	0.168	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-48.2	179.1	-58.1	176.8	0	0	0	110.9	T287 F299 D301 R365	T287-L308 HydrophobicContact CG2-CD1 3.86Å; F299-L308 HydrophobicContact CB-CB 3.99Å; F299-L308 HydrophobicContact CB-CD1 4.4Å; F299-L308 WeakPolarHBondContact O-CB 3.3Å; F299-L308 PolarHBondContact O-N 3.4Å; D301-L308 HydrophobicContact CB-CD1 4.43Å; D301-L308 HydrophobicContact CB-CD2 4.14Å; D301-L308 HydrophobicContact CB-CG 4.35Å; L308-R365 HydrophobicContact CD2-CG 4.16Å
309	K	95.9	Very high	96.8	Very high	50 Å²	50	45 Å²	45	22%	0.217	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	151.5	-176.8	-175.7	-179.1	175.5	93.9	0	111.1	F297 S298 F299 E361	F297-K309 HydrophobicContact CE2-CD 4.39Å; S298-K309 CarbonylContact C-O 3.5Å; S298-K309 WeakPolarHBondContact CA-O 3.48Å; S298-K309 WeakPolarHBondContact CB-O 3.35Å; F299-K309 HydrophobicContact CB-CB 4.36Å; F299-K309 HydrophobicContact CD2-CB 3.96Å; F299-K309 HydrophobicContact CD2-CD 4.03Å; F299-K309 HydrophobicContact CE2-CD 4.07Å; F299-K309 HydrophobicContact CG-CB 4.49Å; F299-K309 PolarHBondContact N-O 2.7Å; F299-K309 PolarHBondContact O-N 3.18Å; K309-E361 VanDerWaalsContact CD-OE2 3.29Å; K309-E361 WeakPolarHBondContact CD-OE2 3.48Å; K309-E361 VanDerWaalsContact CE-OE1 3.3Å; K309-E361 WeakPolarHBondContact CE-OE1 3.44Å; K309-E361 WeakPolarHBondContact CE-OE2 3.49Å; K309-E361 IonicContact NZ-OE1 2.83Å; K309-E361 PolarHBondContact NZ-OE1 3.22Å; K309-E361 IonicContact NZ-OE2 3.48Å
310	T	97	Very high	96.9	Very high	54 Å²	54	45.3 Å²	45.3	33%	0.331	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.2	160.6	-63	0	0	0	0	107.2	S298 K307	S298-T310 PolarHBondContact OG-OG1 2.66Å; K307-T310 VanDerWaalsContact CD-OG1 3.29Å; K307-T310 WeakPolarHBondContact CD-OG1 3.18Å; K307-T310 WeakPolarHBondContact CE-OG1 3.43Å; K307-T310 PolarHBondContact NZ-OG1 3.39Å
311	S	97.2	Very high	96.9	Very high	8 Å²	8	44.8 Å²	44.8	6%	0.056	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-72.4	170	177.6	71.9	0	0	0	0	112.3	R296 F297	R296-S311 WeakPolarHBondContact CA-OG 3.29Å; F297-S311 VanDerWaalsContact CE1-CB 3.41Å; F297-S311 VanDerWaalsContact CZ-CB 3.48Å; F297-S311 PolarHBondContact N-OG 2.83Å; F297-S311 PolarHBondContact O-N 3.31Å; F297-S311 PolarHBondContact O-OG 2.84Å
312	E	95.7	Very high	97	Very high	113 Å²	113	45 Å²	45	53%	0.528	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-65.5	161.2	159.4	-63.6	-175.1	-150.6	0	0	110.5	P28 M29	P28-E312 HydrophobicContact CB-CB 3.97Å; P28-E312 WeakPolarHBondContact CB-OE2 3.45Å; P28-E312 HydrophobicContact CG-CB 3.91Å; M29-E312 HydrophobicContact SD-CB 3.64Å; M29-E312 HydrophobicContact SD-CG 3.64Å; M29-E312 PolarHBondContact SD-N 2.69Å; M29-E312 VanDerWaalsContact SD-N 3.4Å
313	Q	96.4	Very high	97	Very high	83 Å²	83	45.2 Å²	45.2	39%	0.388	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-86.5	126.4	179.1	168.5	168.1	64.8	0	0	110.6	D294 G295 R296	D294-Q313 WeakPolarHBondContact O-CG 3.42Å; D294-Q313 PolarHBondContact O-NE2 2.85Å; G295-Q313 WeakPolarHBondContact O-CA 3.47Å; R296-Q313 HydrophobicContact CG-CB 4.09Å; R296-Q313 VanDerWaalsContact CZ-CB 3.46Å; R296-Q313 VanDerWaalsContact NH2-CB 3.32Å
314	L	96.6	Very high	97.2	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.037	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-76.4	167.9	171	-77.9	71	0	0	0	111	H26 P28 G295 Q316 Y332 F354	H26-L314 WeakPolarHBondContact O-CG 3.43Å; P28-L314 HydrophobicContact CG-CD1 4.29Å; G295-L314 WeakPolarHBondContact O-CD1 3.48Å; G295-L314 PolarHBondContact O-N 3.04Å; L314-Q316 PolarHBondContact O-N 3.49Å; L314-Y332 HydrophobicContact CD2-CE2 4.05Å; L314-F354 HydrophobicContact CD2-CD2 4.01Å; L314-F354 HydrophobicContact CD2-CE2 3.48Å; L314-F354 VanDerWaalsContact CD2-CE2 3.48Å; L314-F354 HydrophobicContact CD2-CZ 4.36Å
315	D	94.7	Very high	97.2	Very high	53 Å²	53	41.1 Å²	41.1	28%	0.283	20%	0.202	S	C	.	.	S	Bend	trans	-72.6	-9.8	177.9	75.2	-52.2	0	0	0	113.8	H26 K349	H26-D315 WeakPolarHBondContact CA-OD1 3.5Å; H26-D315 WeakPolarHBondContact CB-OD1 3.3Å; D315-K349 PolarHBondContact O-NZ 3.34Å; D315-K349 VanDerWaalsContact O-NZ 3.08Å; D315-K349 IonicContact OD2-NZ 3.86Å
316	Q	97.2	Very high	97.2	Very high	13 Å²	13	37.1 Å²	37.1	6%	0.061	19%	0.191	C	C	.	.	S	Bend	trans	-142.4	159.4	-178.8	-69.7	176.8	67.8	0	0	111.5	G295 L314 K349 K350	G295-Q316 WeakPolarHBondContact CA-O 3.25Å; L314-Q316 PolarHBondContact O-N 3.49Å; Q316-K349 HydrophobicContact CG-CD 3.91Å; Q316-K350 PolarHBondContact NE2-O 3.24Å
317	P	98.6	Very high	97.2	Very high	15 Å²	15	34.9 Å²	34.9	10%	0.097	18%	0.177	C	C	.	.			trans	-49.9	156	169.5	-29.2	37.9	0	0	0	113.5	S334 S335 D337	P317-S334 WeakPolarHBondContact O-CA 3.49Å; P317-S334 PolarHBondContact O-OG 3.4Å; P317-S335 WeakPolarHBondContact CB-O 3.5Å; P317-S335 PolarHBondContact O-N 3.3Å; P317-S335 VanDerWaalsContact O-O 3.12Å; P317-D337 HydrophobicContact CB-CB 4Å; P317-D337 HydrophobicContact CG-CB 4.47Å
318	I	98.8	Very high	97.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.9	165	-56.3	179.9	0	0	0	107.6	N277 V291 G292 R296 F297 Y332 A333	N277-I318 WeakPolarHBondContact CB-O 3.42Å; N277-I318 PolarHBondContact ND2-O 2.54Å; V291-I318 HydrophobicContact CB-CB 3.9Å; V291-I318 HydrophobicContact CB-CG2 3.51Å; V291-I318 HydrophobicContact CG1-CG2 3.76Å; V291-I318 HydrophobicContact CG2-CB 4.49Å; V291-I318 HydrophobicContact CG2-CG2 3.89Å; G292-I318 PolarHBondContact O-N 2.78Å; R296-I318 VanDerWaalsContact C-CD1 3.44Å; F297-I318 HydrophobicContact CB-CD1 4.21Å; F297-I318 HydrophobicContact CD1-CD1 4.12Å; I318-Y332 HydrophobicContact CD1-CD2 3.86Å; I318-Y332 HydrophobicContact CD1-CE2 4.28Å; I318-Y332 HydrophobicContact CG1-CD2 4.37Å; I318-Y332 HydrophobicContact CG2-CD2 4.18Å; I318-A333 CarbonylContact C-O 3.58Å; I318-A333 VanDerWaalsContact CA-O 3.25Å; I318-A333 WeakPolarHBondContact CA-O 3.3Å; I318-A333 VanDerWaalsContact CG2-O 3.31Å; I318-A333 WeakPolarHBondContact CG2-O 3.39Å
319	S	98.8	Very high	97.2	Very high	20 Å²	20	32.8 Å²	32.8	14%	0.14	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-33.3	-169.3	60.2	0	0	0	0	113.6	I42 A333	I42-S319 VanDerWaalsContact O-CB 3.29Å; I42-S319 WeakPolarHBondContact O-CB 3.23Å; I42-S319 PolarHBondContact O-OG 2.59Å; S319-A333 PolarHBondContact N-O 3.24Å
320	A	98.9	Very high	97.3	Very high	8 Å²	8	30.4 Å²	30.4	7%	0.066	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	153.7	-178.2	0	0	0	0	0	111.3	L45 Y332 A333	L45-A320 HydrophobicContact CD1-CB 4.3Å; L45-A320 HydrophobicContact CG-CB 4.08Å; A320-Y332 CarbonylContact O-C 3.6Å; A320-Y332 WeakPolarHBondContact O-CA 3.47Å; A320-A333 HydrophobicContact CB-CB 4.44Å; A320-A333 PolarHBondContact O-N 3.37Å
321	C	98.9	Very high	97.4	Very high	17 Å²	17	27.8 Å²	27.8	12%	0.115	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	153.3	172.9	69.1	0	0	0	0	112.6	V291 F330 A331	V291-C321 HydrophobicContact CG1-CB 3.68Å; V291-C321 HydrophobicContact CG2-CB 4.08Å; C321-F330 HydrophobicContact CB-CE2 3.65Å; C321-F330 HydrophobicContact CB-CZ 3.68Å; C321-A331 CarbonylContact C-O 3.55Å; C321-A331 WeakPolarHBondContact CA-O 3.13Å; C321-A331 WeakPolarHBondContact CB-O 3.1Å
322	C	98.7	Very high	97.4	Very high	15 Å²	15	27.5 Å²	27.5	10%	0.101	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	166.4	171.6	63	0	0	0	0	111.5	F47 A331	F47-C322 VanDerWaalsContact CD2-SG 3.59Å; C322-A331 PolarHBondContact N-O 2.74Å; C322-A331 PolarHBondContact O-N 3.4Å
323	F	98.4	Very high	97.6	Very high	21 Å²	21	22.1 Å²	22.1	9%	0.092	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	150.7	168.8	-71.9	-73.2	0	0	0	110.7	F47 A280 F281 H282 A289 I329 F330 L362	F47-F323 VanDerWaalsContact CD2-C 3.41Å; F47-F323 WeakPolarHBondContact CD2-O 3.41Å; A280-F323 HydrophobicContact CB-CD2 3.99Å; A280-F323 HydrophobicContact CB-CE2 4.13Å; F281-F323 WeakPolarHBondContact O-CD2 3.34Å; H282-F323 HydrophobicContact CB-CE2 4.47Å; A289-F323 HydrophobicContact CB-CE2 3.94Å; A289-F323 HydrophobicContact CB-CZ 3.86Å; F323-I329 WeakPolarHBondContact CA-O 3.39Å; F323-F330 HydrophobicContact CD1-CB 4.04Å; F323-F330 HydrophobicContact CD1-CD2 4Å; F323-F330 HydrophobicContact CE1-CB 3.67Å; F323-F330 AromaticContact CE1-CD2 3.53Å; F323-F330 HydrophobicContact CE1-CD2 3.53Å; F323-F330 AromaticContact CE1-CG 3.95Å; F323-F330 HydrophobicContact CE1-CG 3.95Å; F323-F330 HydrophobicContact CE2-CD2 4.2Å; F323-F330 AromaticContact CZ-CD2 3.64Å; F323-F330 HydrophobicContact CZ-CD2 3.64Å; F323-F330 HydrophobicContact CZ-CE2 4.24Å; F323-F330 HydrophobicContact CZ-CG 4.35Å; F323-L362 HydrophobicContact CD1-CD1 4.41Å; F323-L362 HydrophobicContact CE1-CD1 3.23Å; F323-L362 HydrophobicContact CZ-CD1 3.37Å; F323-L362 HydrophobicContact CZ-CD2 4.15Å; F323-L362 HydrophobicContact CZ-CG 4.42Å
324	N	97.9	Very high	97.7	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.016	10%	0.099	C	C	.	.			trans	-68	166.3	163	79.2	-38.9	0	0	0	110.9	F47 N55 N326 G327 N328 I329	F47-N324 HydrophobicContact CB-CB 4.2Å; F47-N324 HydrophobicContact CD1-CB 3.86Å; F47-N324 VanDerWaalsContact CD2-CA 3.45Å; F47-N324 HydrophobicContact CD2-CB 3.79Å; F47-N324 VanDerWaalsContact CD2-N 3.26Å; F47-N324 HydrophobicContact CE1-CB 4.09Å; F47-N324 HydrophobicContact CE2-CB 4Å; F47-N324 HydrophobicContact CG-CB 3.71Å; F47-N324 HydrophobicContact CZ-CB 4.16Å; N55-N324 WeakPolarHBondContact OD1-CB 3.41Å; N55-N324 PolarHBondContact OD1-ND2 3.09Å; N324-N326 PolarHBondContact ND2-OD1 3.41Å; N324-N326 PolarHBondContact O-N 3.14Å; N324-N326 PolarHBondContact OD1-OD1 3.19Å; N324-G327 PolarHBondContact O-N 3.09Å; N324-G327 WeakPolarHBondContact OD1-CA 3.09Å; N324-G327 PolarHBondContact OD1-N 3.23Å; N324-N328 PolarHBondContact OD1-N 3.45Å; N324-I329 HydrophobicContact CB-CB 4.19Å; N324-I329 PolarHBondContact N-O 3.01Å; N324-I329 PolarHBondContact OD1-N 3.14Å; N324-I329 PolarHBondContact OD1-O 3.2Å
325	H	96.4	Very high	97.8	Very high	64 Å²	64	17.8 Å²	17.8	30%	0.296	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.2	-168.6	69.8	91.6	0	0	0	115.3	P50	P50-H325 HydrophobicContact CB-CB 4.23Å; P50-H325 WeakPolarHBondContact CB-ND1 3.01Å
326	N	95.1	Very high	98	Very high	51 Å²	51	16.5 Å²	16.5	27%	0.273	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-10.6	176.7	61	39	0	0	0	114	V284 N324 N328	V284-N326 WeakPolarHBondContact CG2-O 3.5Å; N324-N326 PolarHBondContact ND2-OD1 3.41Å; N324-N326 PolarHBondContact O-N 3.14Å; N324-N326 PolarHBondContact OD1-OD1 3.19Å; N326-N328 VanDerWaalsContact OD1-CB 3.3Å; N326-N328 WeakPolarHBondContact OD1-CB 3.42Å; N326-N328 PolarHBondContact OD1-N 3Å; N326-N328 PolarHBondContact OD1-ND2 3.36Å
327	G	96.5	Very high	98	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	85.8	5.3	176.9	0	0	0	0	0	115.9	H282 N324 I329	H282-G327 PolarHBondContact NE2-O 3.05Å; N324-G327 PolarHBondContact O-N 3.09Å; N324-G327 WeakPolarHBondContact OD1-CA 3.09Å; N324-G327 PolarHBondContact OD1-N 3.23Å; G327-I329 VanDerWaalsContact C-N 3.33Å
328	N	95.8	Very high	98	Very high	81 Å²	81	22.3 Å²	22.3	43%	0.433	11%	0.109	S	C	.	.	S	Bend	trans	-67.6	-34.8	177.2	-67.9	-18.6	0	0	0	112.7	N324 N326 N357 A358	N324-N328 PolarHBondContact OD1-N 3.45Å; N326-N328 VanDerWaalsContact OD1-CB 3.3Å; N326-N328 WeakPolarHBondContact OD1-CB 3.42Å; N326-N328 PolarHBondContact OD1-N 3Å; N326-N328 PolarHBondContact OD1-ND2 3.36Å; N328-N357 CarbonylContact O-C 3.55Å; N328-N357 WeakPolarHBondContact O-CA 3.34Å; N328-A358 PolarHBondContact O-N 3.22Å
329	I	97.2	Very high	97.9	Very high	12 Å²	12	25.2 Å²	25.2	6%	0.062	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.2	-176.1	-53	172.9	0	0	0	108.9	F47 V71 F323 N324 G327 L355 R356	F47-I329 HydrophobicContact CE2-CG2 4.33Å; F47-I329 HydrophobicContact CZ-CB 4.38Å; F47-I329 HydrophobicContact CZ-CG2 3.91Å; V71-I329 HydrophobicContact CG1-CD1 3.95Å; F323-I329 WeakPolarHBondContact CA-O 3.39Å; N324-I329 HydrophobicContact CB-CB 4.19Å; N324-I329 PolarHBondContact N-O 3.01Å; N324-I329 PolarHBondContact OD1-N 3.14Å; N324-I329 PolarHBondContact OD1-O 3.2Å; G327-I329 VanDerWaalsContact C-N 3.33Å; I329-L355 HydrophobicContact CG2-CB 4.08Å; I329-L355 HydrophobicContact CG2-CD2 4.23Å; I329-R356 WeakPolarHBondContact CA-O 3.28Å
330	F	98.3	Very high	97.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114.4	167.5	178.8	-119	0	0	0	109	A289 V291 F297 F299 C321 F323 Y332 R356 A358	A289-F330 HydrophobicContact CB-CD2 4.26Å; A289-F330 HydrophobicContact CB-CE2 3.54Å; A289-F330 HydrophobicContact CB-CZ 3.9Å; V291-F330 HydrophobicContact CG1-CZ 3.91Å; F297-F330 HydrophobicContact CB-CE1 4.01Å; F297-F330 HydrophobicContact CB-CZ 4.27Å; F297-F330 HydrophobicContact CD1-CE1 4.1Å; F297-F330 HydrophobicContact CD2-CE1 4.18Å; F297-F330 AromaticContact CG-CE1 3.86Å; F297-F330 HydrophobicContact CG-CE1 3.86Å; F299-F330 HydrophobicContact CE1-CD1 4.05Å; F299-F330 HydrophobicContact CE1-CE1 4.04Å; F299-F330 HydrophobicContact CE1-CG 4.3Å; F299-F330 HydrophobicContact CE1-CZ 4.29Å; F299-F330 AromaticContact CZ-CD1 3.95Å; F299-F330 HydrophobicContact CZ-CD1 3.95Å; F299-F330 HydrophobicContact CZ-CE1 4.3Å; F299-F330 HydrophobicContact CZ-CG 4.32Å; C321-F330 HydrophobicContact CB-CE2 3.65Å; C321-F330 HydrophobicContact CB-CZ 3.68Å; F323-F330 HydrophobicContact CD1-CB 4.04Å; F323-F330 HydrophobicContact CD1-CD2 4Å; F323-F330 HydrophobicContact CE1-CB 3.67Å; F323-F330 AromaticContact CE1-CD2 3.53Å; F323-F330 HydrophobicContact CE1-CD2 3.53Å; F323-F330 AromaticContact CE1-CG 3.95Å; F323-F330 HydrophobicContact CE1-CG 3.95Å; F323-F330 HydrophobicContact CE2-CD2 4.2Å; F323-F330 AromaticContact CZ-CD2 3.64Å; F323-F330 HydrophobicContact CZ-CD2 3.64Å; F323-F330 HydrophobicContact CZ-CE2 4.24Å; F323-F330 HydrophobicContact CZ-CG 4.35Å; F330-Y332 AromaticContact CD1-CD1 3.63Å; F330-Y332 HydrophobicContact CD1-CD1 3.63Å; F330-Y332 HydrophobicContact CD1-CE1 4.29Å; F330-Y332 HydrophobicContact CD1-CG 4.5Å; F330-Y332 AromaticContact CE1-CD1 3.53Å; F330-Y332 HydrophobicContact CE1-CD1 3.53Å; F330-Y332 HydrophobicContact CE1-CE1 4.37Å; F330-Y332 AromaticContact CE1-CG 3.99Å; F330-Y332 HydrophobicContact CE1-CG 3.99Å; F330-Y332 HydrophobicContact CZ-CD1 4.49Å; F330-R356 HydrophobicContact CB-CB 4.45Å; F330-R356 PolarHBondContact N-O 2.99Å; F330-R356 PolarHBondContact O-N 3.17Å; F330-A358 HydrophobicContact CB-CB 3.92Å
331	A	98.5	Very high	97.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	138.5	172.4	0	0	0	0	0	110.3	L45 F47 L57 C321 C322 F354 L355	L45-A331 HydrophobicContact CD1-CB 4.22Å; F47-A331 HydrophobicContact CD2-CB 4.47Å; F47-A331 HydrophobicContact CE2-CB 3.53Å; F47-A331 HydrophobicContact CZ-CB 4.09Å; L57-A331 HydrophobicContact CD1-CB 4.28Å; L57-A331 HydrophobicContact CD2-CB 4.44Å; C321-A331 CarbonylContact C-O 3.55Å; C321-A331 WeakPolarHBondContact CA-O 3.13Å; C321-A331 WeakPolarHBondContact CB-O 3.1Å; C322-A331 PolarHBondContact N-O 2.74Å; C322-A331 PolarHBondContact O-N 3.4Å; A331-F354 WeakPolarHBondContact CA-O 3.39Å; A331-L355 HydrophobicContact CB-CD2 3.71Å
332	Y	98.8	Very high	97.7	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	140	173.6	63.3	-85.3	0	0	0	111.4	D31 F297 L314 I318 A320 F330 F354 R356	D31-Y332 WeakPolarHBondContact CB-OH 3.27Å; D31-Y332 PolarHBondContact OD2-OH 3.13Å; F297-Y332 HydrophobicContact CD1-CD1 4.32Å; F297-Y332 HydrophobicContact CD1-CD2 4.43Å; F297-Y332 HydrophobicContact CD1-CE1 4.15Å; F297-Y332 HydrophobicContact CD1-CE2 4.27Å; F297-Y332 HydrophobicContact CD1-CG 4.46Å; F297-Y332 HydrophobicContact CE1-CD1 4.37Å; F297-Y332 AromaticContact CE1-CE1 3.78Å; F297-Y332 HydrophobicContact CE1-CE1 3.78Å; F297-Y332 HydrophobicContact CE1-CE2 4.29Å; F297-Y332 AromaticContact CE1-CZ 3.75Å; L314-Y332 HydrophobicContact CD2-CE2 4.05Å; I318-Y332 HydrophobicContact CD1-CD2 3.86Å; I318-Y332 HydrophobicContact CD1-CE2 4.28Å; I318-Y332 HydrophobicContact CG1-CD2 4.37Å; I318-Y332 HydrophobicContact CG2-CD2 4.18Å; A320-Y332 CarbonylContact O-C 3.6Å; A320-Y332 WeakPolarHBondContact O-CA 3.47Å; F330-Y332 AromaticContact CD1-CD1 3.63Å; F330-Y332 HydrophobicContact CD1-CD1 3.63Å; F330-Y332 HydrophobicContact CD1-CE1 4.29Å; F330-Y332 HydrophobicContact CD1-CG 4.5Å; F330-Y332 AromaticContact CE1-CD1 3.53Å; F330-Y332 HydrophobicContact CE1-CD1 3.53Å; F330-Y332 HydrophobicContact CE1-CE1 4.37Å; F330-Y332 AromaticContact CE1-CG 3.99Å; F330-Y332 HydrophobicContact CE1-CG 3.99Å; F330-Y332 HydrophobicContact CZ-CD1 4.49Å; Y332-F354 HydrophobicContact CD1-CB 4.18Å; Y332-F354 HydrophobicContact CD2-CB 4.2Å; Y332-F354 AromaticContact CD2-CD2 3.98Å; Y332-F354 HydrophobicContact CD2-CD2 3.98Å; Y332-F354 HydrophobicContact CE1-CB 3.62Å; Y332-F354 HydrophobicContact CE2-CB 3.64Å; Y332-F354 AromaticContact CE2-CD2 3.35Å; Y332-F354 HydrophobicContact CE2-CD2 3.35Å; Y332-F354 HydrophobicContact CE2-CE2 4.29Å; Y332-F354 AromaticContact CE2-CG 3.83Å; Y332-F354 HydrophobicContact CE2-CG 3.83Å; Y332-F354 HydrophobicContact CG-CB 4.44Å; Y332-F354 AromaticContact CZ-CD2 3.85Å; Y332-F354 AromaticContact CZ-CG 3.83Å; Y332-F354 PolarHBondContact N-O 3.28Å; Y332-F354 PolarHBondContact O-N 2.78Å; Y332-F354 WeakPolarHBondContact OH-CB 3Å; Y332-R356 HydrophobicContact CE1-CB 4.28Å
333	A	98.8	Very high	97.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.9	-178.6	0	0	0	0	0	111.4	I42 L45 I318 S319 A320 Y352 I353	I42-A333 HydrophobicContact CB-CB 3.72Å; I42-A333 HydrophobicContact CD1-CB 4.41Å; I42-A333 HydrophobicContact CG1-CB 4.24Å; I42-A333 HydrophobicContact CG2-CB 3.78Å; L45-A333 HydrophobicContact CD1-CB 4.05Å; I318-A333 CarbonylContact C-O 3.58Å; I318-A333 VanDerWaalsContact CA-O 3.25Å; I318-A333 WeakPolarHBondContact CA-O 3.3Å; I318-A333 VanDerWaalsContact CG2-O 3.31Å; I318-A333 WeakPolarHBondContact CG2-O 3.39Å; S319-A333 PolarHBondContact N-O 3.24Å; A320-A333 HydrophobicContact CB-CB 4.44Å; A320-A333 PolarHBondContact O-N 3.37Å; A333-Y352 CarbonylContact C-O 3.59Å; A333-Y352 VanDerWaalsContact CA-O 3.29Å; A333-Y352 WeakPolarHBondContact CA-O 3.44Å; A333-I353 HydrophobicContact CB-CG1 4.29Å
334	S	98.6	Very high	97.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	113.2	171.3	-167.1	0	0	0	0	109.7	P317 N351 Y352	P317-S334 WeakPolarHBondContact O-CA 3.49Å; P317-S334 PolarHBondContact O-OG 3.4Å; S334-N351 WeakPolarHBondContact O-CA 3.45Å; S334-Y352 PolarHBondContact N-O 3.47Å; S334-Y352 PolarHBondContact O-N 2.96Å
335	S	98.6	Very high	97.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.243	C	C	.	.			trans	-156.8	154.2	-175.3	-59.1	0	0	0	0	109.7	I42 P317 D337 N351	I42-S335 WeakPolarHBondContact CD1-OG 3.38Å; I42-S335 PolarHBondContact N-OG 2.98Å; I42-S335 VanDerWaalsContact N-OG 3.08Å; P317-S335 WeakPolarHBondContact CB-O 3.5Å; P317-S335 PolarHBondContact O-N 3.3Å; P317-S335 VanDerWaalsContact O-O 3.12Å; S335-D337 PolarHBondContact O-N 2.94Å; S335-N351 WeakPolarHBondContact CA-OD1 3.22Å; S335-N351 VanDerWaalsContact CB-OD1 3.3Å; S335-N351 WeakPolarHBondContact CB-OD1 3.47Å; S335-N351 PolarHBondContact OG-OD1 3.08Å; S335-N351 VanDerWaalsContact OG-OD1 3.14Å
336	Y	98.5	Very high	97.6	Very high	25 Å²	25	51.2 Å²	51.2	10%	0.098	25%	0.247	C	C	.	.			trans	-66	123.5	172.5	-172	-112.9	0	0	0	110.9	S41 W338 K340 G341 F344 Y345	S41-Y336 PolarHBondContact OG-O 3.38Å; Y336-W338 HydrophobicContact CD1-CD2 4.36Å; Y336-W338 AromaticContact CD1-CE3 3.56Å; Y336-W338 HydrophobicContact CD1-CE3 3.56Å; Y336-W338 HydrophobicContact CD1-CZ3 4.02Å; Y336-W338 VanDerWaalsContact CE1-CA 3.48Å; Y336-W338 HydrophobicContact CE1-CB 4.41Å; Y336-W338 AromaticContact CE1-CD2 3.99Å; Y336-W338 HydrophobicContact CE1-CD2 3.99Å; Y336-W338 AromaticContact CE1-CE3 3.61Å; Y336-W338 HydrophobicContact CE1-CE3 3.61Å; Y336-W338 HydrophobicContact CE1-CG 4.36Å; Y336-W338 HydrophobicContact CE1-CZ3 4.19Å; Y336-K340 VanDerWaalsContact OH-C 3.26Å; Y336-K340 WeakPolarHBondContact OH-CA 3.29Å; Y336-K340 WeakPolarHBondContact OH-CB 3.37Å; Y336-K340 PolarHBondContact OH-N 2.92Å; Y336-K340 VanDerWaalsContact OH-N 3.17Å; Y336-G341 PolarHBondContact OH-N 3.5Å; Y336-G341 PolarHBondContact OH-O 2.92Å; Y336-F344 HydrophobicContact CE2-CB 3.98Å; Y336-Y345 AromaticContact CD1-CD2 3.75Å; Y336-Y345 HydrophobicContact CD1-CD2 3.75Å; Y336-Y345 HydrophobicContact CD1-CG 4.33Å; Y336-Y345 HydrophobicContact CG-CD2 4.35Å
337	D	98.4	Very high	97.7	Very high	17 Å²	17	52.6 Å²	52.6	9%	0.091	26%	0.259	C	S	.	.			trans	-97.6	9.2	-171.7	69.8	-12.9	0	0	0	114.1	N277 S293 P317 S335 S339	N277-D337 PolarHBondContact ND2-OD2 2.83Å; S293-D337 WeakPolarHBondContact CB-OD2 3.34Å; S293-D337 PolarHBondContact OG-OD2 3.29Å; P317-D337 HydrophobicContact CB-CB 4Å; P317-D337 HydrophobicContact CG-CB 4.47Å; S335-D337 PolarHBondContact O-N 2.94Å; D337-S339 PolarHBondContact O-N 3.43Å; D337-S339 WeakPolarHBondContact OD1-CB 3.48Å; D337-S339 PolarHBondContact OD1-N 3.48Å; D337-S339 PolarHBondContact OD1-OG 3.34Å
338	W	98.4	Very high	97.6	Very high	133 Å²	133	60.1 Å²	60.1	50%	0.504	29%	0.294	S	S	.	.	S	Bend	trans	64.8	10.7	-176.6	-132.3	-102.8	0	0	0	115.7	Y336 K340 G341 H342 Y345	Y336-W338 HydrophobicContact CD1-CD2 4.36Å; Y336-W338 AromaticContact CD1-CE3 3.56Å; Y336-W338 HydrophobicContact CD1-CE3 3.56Å; Y336-W338 HydrophobicContact CD1-CZ3 4.02Å; Y336-W338 VanDerWaalsContact CE1-CA 3.48Å; Y336-W338 HydrophobicContact CE1-CB 4.41Å; Y336-W338 AromaticContact CE1-CD2 3.99Å; Y336-W338 HydrophobicContact CE1-CD2 3.99Å; Y336-W338 AromaticContact CE1-CE3 3.61Å; Y336-W338 HydrophobicContact CE1-CE3 3.61Å; Y336-W338 HydrophobicContact CE1-CG 4.36Å; Y336-W338 HydrophobicContact CE1-CZ3 4.19Å; W338-K340 PolarHBondContact O-N 2.91Å; W338-K340 VanDerWaalsContact O-N 3.09Å; W338-G341 PolarHBondContact O-N 3.01Å; W338-H342 HydrophobicContact CZ2-CB 3.73Å; W338-Y345 HydrophobicContact CE3-CD2 4.38Å; W338-Y345 HydrophobicContact CH2-CD1 4.03Å; W338-Y345 HydrophobicContact CH2-CD2 4.29Å; W338-Y345 AromaticContact CH2-CG 3.78Å; W338-Y345 HydrophobicContact CH2-CG 3.78Å; W338-Y345 HydrophobicContact CZ3-CD1 4.1Å; W338-Y345 AromaticContact CZ3-CD2 3.54Å; W338-Y345 HydrophobicContact CZ3-CD2 3.54Å; W338-Y345 HydrophobicContact CZ3-CE2 4.13Å; W338-Y345 AromaticContact CZ3-CG 3.49Å; W338-Y345 HydrophobicContact CZ3-CG 3.49Å; W338-Y345 VanDerWaalsContact CZ3-CG 3.49Å
339	S	97.6	Very high	97.6	Very high	61 Å²	61	60.2 Å²	60.2	43%	0.427	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.7	-176.3	57	0	0	0	0	114.8	D337	D337-S339 PolarHBondContact O-N 3.43Å; D337-S339 WeakPolarHBondContact OD1-CB 3.48Å; D337-S339 PolarHBondContact OD1-N 3.48Å; D337-S339 PolarHBondContact OD1-OG 3.34Å
340	K	97.5	Very high	97.6	Very high	115 Å²	115	66.5 Å²	66.5	50%	0.5	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	15.1	176.8	-56.5	-177.1	179.6	-179.9	0	113.2	Y336 W338 F344	Y336-K340 VanDerWaalsContact OH-C 3.26Å; Y336-K340 WeakPolarHBondContact OH-CA 3.29Å; Y336-K340 WeakPolarHBondContact OH-CB 3.37Å; Y336-K340 PolarHBondContact OH-N 2.92Å; Y336-K340 VanDerWaalsContact OH-N 3.17Å; W338-K340 PolarHBondContact O-N 2.91Å; W338-K340 VanDerWaalsContact O-N 3.09Å; K340-F344 HydrophobicContact CB-CB 4.13Å; K340-F344 HydrophobicContact CB-CD2 3.53Å; K340-F344 HydrophobicContact CB-CE2 4.09Å; K340-F344 HydrophobicContact CB-CG 3.89Å; K340-F344 HydrophobicContact CD-CD1 4.31Å; K340-F344 HydrophobicContact CD-CD2 4.4Å; K340-F344 HydrophobicContact CD-CG 4.24Å; K340-F344 WeakPolarHBondContact O-CD2 3.44Å
341	G	97.7	Very high	97.6	Very high	25 Å²	25	66.9 Å²	66.9	26%	0.258	32%	0.32	S	S	.	.			trans	72.9	-179.4	179.6	0	0	0	0	0	114.6	Y336 W338 E343 F344	Y336-G341 PolarHBondContact OH-N 3.5Å; Y336-G341 PolarHBondContact OH-O 2.92Å; W338-G341 PolarHBondContact O-N 3.01Å; G341-E343 PolarHBondContact O-N 2.9Å; G341-E343 VanDerWaalsContact O-N 3.12Å; G341-F344 PolarHBondContact O-N 3.34Å
342	H	96.9	Very high	97.6	Very high	136 Å²	136	68.6 Å²	68.6	63%	0.63	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-61.7	-24.2	-172.2	73	-79.5	0	0	0	114.3	W338 F344 Y345	W338-H342 HydrophobicContact CZ2-CB 3.73Å; H342-F344 PolarHBondContact O-N 2.85Å; H342-Y345 WeakPolarHBondContact O-CB 3.12Å; H342-Y345 PolarHBondContact O-N 3.12Å
343	E	97.7	Very high	97.5	Very high	153 Å²	153	68.6 Å²	68.6	72%	0.715	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-63.9	-27	-175.8	-61.4	175.2	141.5	0	0	113.4	G341	G341-E343 PolarHBondContact O-N 2.9Å; G341-E343 VanDerWaalsContact O-N 3.12Å
344	F	96.9	Very high	97.5	Very high	123 Å²	123	68.6 Å²	68.6	54%	0.539	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-102.7	1.8	-178.6	-67.6	-95.5	0	0	0	113.1	Y336 K340 G341 H342 N346	Y336-F344 HydrophobicContact CE2-CB 3.98Å; K340-F344 HydrophobicContact CB-CB 4.13Å; K340-F344 HydrophobicContact CB-CD2 3.53Å; K340-F344 HydrophobicContact CB-CE2 4.09Å; K340-F344 HydrophobicContact CB-CG 3.89Å; K340-F344 HydrophobicContact CD-CD1 4.31Å; K340-F344 HydrophobicContact CD-CD2 4.4Å; K340-F344 HydrophobicContact CD-CG 4.24Å; K340-F344 WeakPolarHBondContact O-CD2 3.44Å; G341-F344 PolarHBondContact O-N 3.34Å; H342-F344 PolarHBondContact O-N 2.85Å; F344-N346 PolarHBondContact O-N 2.79Å
345	Y	97.7	Very high	97.5	Very high	71 Å²	71	68.8 Å²	68.8	28%	0.278	33%	0.328	S	S	.	.			trans	-71.5	127.7	173.9	178.3	-117.4	0	0	0	110	D40 Y336 W338 H342 P347	D40-Y345 PolarHBondContact OD1-OH 3.23Å; Y336-Y345 AromaticContact CD1-CD2 3.75Å; Y336-Y345 HydrophobicContact CD1-CD2 3.75Å; Y336-Y345 HydrophobicContact CD1-CG 4.33Å; Y336-Y345 HydrophobicContact CG-CD2 4.35Å; W338-Y345 HydrophobicContact CE3-CD2 4.38Å; W338-Y345 HydrophobicContact CH2-CD1 4.03Å; W338-Y345 HydrophobicContact CH2-CD2 4.29Å; W338-Y345 AromaticContact CH2-CG 3.78Å; W338-Y345 HydrophobicContact CH2-CG 3.78Å; W338-Y345 HydrophobicContact CZ3-CD1 4.1Å; W338-Y345 AromaticContact CZ3-CD2 3.54Å; W338-Y345 HydrophobicContact CZ3-CD2 3.54Å; W338-Y345 HydrophobicContact CZ3-CE2 4.13Å; W338-Y345 AromaticContact CZ3-CG 3.49Å; W338-Y345 HydrophobicContact CZ3-CG 3.49Å; W338-Y345 VanDerWaalsContact CZ3-CG 3.49Å; H342-Y345 WeakPolarHBondContact O-CB 3.12Å; H342-Y345 PolarHBondContact O-N 3.12Å; Y345-P347 HydrophobicContact CE1-CB 3.82Å; Y345-P347 HydrophobicContact CE1-CG 4.29Å
346	N	97.2	Very high	97.4	Very high	72 Å²	72	70.3 Å²	70.3	39%	0.385	33%	0.333	S	S	.	.			trans	-121.8	101.2	177.7	-177.9	-24.8	0	0	0	108.9	F344 Q348 K349	F344-N346 PolarHBondContact O-N 2.79Å; N346-Q348 PolarHBondContact O-N 3.43Å; N346-Q348 WeakPolarHBondContact OD1-CB 3.36Å; N346-Q348 PolarHBondContact OD1-N 2.83Å; N346-Q348 PolarHBondContact OD1-OE1 3.3Å; N346-K349 HydrophobicContact CB-CB 4.45Å; N346-K349 HydrophobicContact CB-CD 4.27Å; N346-K349 HydrophobicContact CB-CG 4.23Å; N346-K349 WeakPolarHBondContact O-CB 3.38Å; N346-K349 PolarHBondContact O-N 3Å; N346-K349 VanDerWaalsContact O-N 3.14Å; N346-K349 PolarHBondContact OD1-N 2.94Å
347	P	95.7	Very high	97.2	Very high	80 Å²	80	74.4 Å²	74.4	52%	0.519	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-10.4	-177.1	26.9	-33	0	0	0	113.8	Y345	Y345-P347 HydrophobicContact CE1-CB 3.82Å; Y345-P347 HydrophobicContact CE1-CG 4.29Å
348	Q	95.4	Very high	96.6	Very high	157 Å²	157	73.6 Å²	73.6	73%	0.734	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-15.5	174.5	-66.6	76.2	15.7	0	0	112.6	N346 K350	N346-Q348 PolarHBondContact O-N 3.43Å; N346-Q348 WeakPolarHBondContact OD1-CB 3.36Å; N346-Q348 PolarHBondContact OD1-N 2.83Å; N346-Q348 PolarHBondContact OD1-OE1 3.3Å; Q348-K350 PolarHBondContact O-N 3.07Å
349	K	95.3	Very high	96.1	Very high	83 Å²	83	68.3 Å²	68.3	36%	0.361	34%	0.337	S	S	.	.	S	Bend	trans	-73.3	127.7	175.2	-86.9	-173.4	161	-172.5	0	109.9	D315 Q316 N346	D315-K349 PolarHBondContact O-NZ 3.34Å; D315-K349 VanDerWaalsContact O-NZ 3.08Å; D315-K349 IonicContact OD2-NZ 3.86Å; Q316-K349 HydrophobicContact CG-CD 3.91Å; N346-K349 HydrophobicContact CB-CB 4.45Å; N346-K349 HydrophobicContact CB-CD 4.27Å; N346-K349 HydrophobicContact CB-CG 4.23Å; N346-K349 WeakPolarHBondContact O-CB 3.38Å; N346-K349 PolarHBondContact O-N 3Å; N346-K349 VanDerWaalsContact O-N 3.14Å; N346-K349 PolarHBondContact OD1-N 2.94Å
350	K	96.7	Very high	95.8	Very high	145 Å²	145	71.9 Å²	71.9	63%	0.63	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-68.4	147	173.1	-67.5	-171.7	178.5	-177.7	0	110.3	Q316 Q348 Y352	Q316-K350 PolarHBondContact NE2-O 3.24Å; Q348-K350 PolarHBondContact O-N 3.07Å; K350-Y352 HydrophobicContact CB-CE1 4.01Å; K350-Y352 HydrophobicContact CB-CE2 3.96Å; K350-Y352 HydrophobicContact CD-CE1 4.32Å
351	N	98	Very high	95.6	Very high	8 Å²	8	69 Å²	69	4%	0.043	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-96.7	133.1	170	-60.4	-77.6	0	0	0	109	S37 D40 S41 I42 S334 S335	S37-N351 VanDerWaalsContact CB-O 3.27Å; S37-N351 WeakPolarHBondContact CB-O 3.49Å; S37-N351 PolarHBondContact OG-O 2.67Å; D40-N351 VanDerWaalsContact CA-ND2 3.33Å; D40-N351 WeakPolarHBondContact CA-ND2 3.23Å; D40-N351 PolarHBondContact O-ND2 2.69Å; S41-N351 WeakPolarHBondContact CA-OD1 3.38Å; I42-N351 HydrophobicContact CD1-CB 3.47Å; I42-N351 VanDerWaalsContact CD1-CB 3.47Å; S334-N351 WeakPolarHBondContact O-CA 3.45Å; S335-N351 WeakPolarHBondContact CA-OD1 3.22Å; S335-N351 VanDerWaalsContact CB-OD1 3.3Å; S335-N351 WeakPolarHBondContact CB-OD1 3.47Å; S335-N351 PolarHBondContact OG-OD1 3.08Å; S335-N351 VanDerWaalsContact OG-OD1 3.14Å
352	Y	98.3	Very high	95.4	Very high	35 Å²	35	67.8 Å²	67.8	14%	0.137	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.2	-175.8	-58.8	-77.1	0	0	0	110.6	H26 A333 S334 K350 F354	H26-Y352 HydrophobicContact CB-CD2 4.22Å; H26-Y352 HydrophobicContact CB-CE2 3.68Å; H26-Y352 AromaticContact CD2-CD2 3.88Å; H26-Y352 AromaticContact CD2-CE1 3.73Å; H26-Y352 AromaticContact CD2-CE2 3.54Å; H26-Y352 AromaticContact CD2-CZ 3.44Å; H26-Y352 VanDerWaalsContact CD2-CZ 3.44Å; H26-Y352 AromaticContact CG-CE2 3.68Å; H26-Y352 AromaticContact CG-CZ 3.77Å; H26-Y352 AromaticContact NE2-CE1 3.94Å; H26-Y352 AromaticContact NE2-CZ 3.93Å; A333-Y352 CarbonylContact C-O 3.59Å; A333-Y352 VanDerWaalsContact CA-O 3.29Å; A333-Y352 WeakPolarHBondContact CA-O 3.44Å; S334-Y352 PolarHBondContact N-O 3.47Å; S334-Y352 PolarHBondContact O-N 2.96Å; K350-Y352 HydrophobicContact CB-CE1 4.01Å; K350-Y352 HydrophobicContact CB-CE2 3.96Å; K350-Y352 HydrophobicContact CD-CE1 4.32Å; Y352-F354 VanDerWaalsContact CB-CZ 3.44Å; Y352-F354 HydrophobicContact CD2-CZ 4.25Å; Y352-F354 HydrophobicContact CG-CE2 4.32Å; Y352-F354 AromaticContact CG-CZ 3.86Å; Y352-F354 HydrophobicContact CG-CZ 3.86Å
353	I	98.6	Very high	95.3	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.8	163.7	-54.9	167.8	0	0	0	105.9	V34 I42 L45 L57 A59 W69 A333	V34-I353 HydrophobicContact CB-CB 4Å; V34-I353 HydrophobicContact CB-CG2 4.43Å; V34-I353 HydrophobicContact CG2-CB 3.77Å; V34-I353 HydrophobicContact CG2-CG2 3.67Å; V34-I353 WeakPolarHBondContact CG2-O 3.21Å; V34-I353 PolarHBondContact N-O 3.43Å; I42-I353 HydrophobicContact CD1-CG1 4.34Å; I42-I353 HydrophobicContact CG1-CD1 4.34Å; I42-I353 HydrophobicContact CG1-CG1 4.25Å; L45-I353 HydrophobicContact CD1-CG2 4.32Å; L45-I353 HydrophobicContact CD2-CD1 4.08Å; L45-I353 HydrophobicContact CD2-CG1 4.47Å; L45-I353 HydrophobicContact CD2-CG2 4.21Å; L57-I353 HydrophobicContact CD2-CG2 4.04Å; A59-I353 HydrophobicContact CB-CD1 3.76Å; W69-I353 HydrophobicContact CH2-CD1 3.94Å; W69-I353 HydrophobicContact CZ3-CD1 4.2Å; A333-I353 HydrophobicContact CB-CG1 4.29Å
354	F	98.3	Very high	94.9	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.9	179.8	-60.6	-73	0	0	0	110.6	H26 N27 D31 I32 E33 L314 A331 Y332 Y352	H26-F354 WeakPolarHBondContact O-CZ 3.49Å; N27-F354 HydrophobicContact CB-CE1 3.62Å; N27-F354 HydrophobicContact CB-CZ 3.95Å; N27-F354 WeakPolarHBondContact ND2-CE1 3.49Å; D31-F354 HydrophobicContact CB-CB 4.15Å; I32-F354 CarbonylContact O-C 3.47Å; I32-F354 VanDerWaalsContact O-CA 3.3Å; I32-F354 WeakPolarHBondContact O-CA 3.4Å; E33-F354 HydrophobicContact CG-CD1 3.71Å; E33-F354 HydrophobicContact CG-CE1 3.44Å; E33-F354 VanDerWaalsContact CG-CE1 3.44Å; L314-F354 HydrophobicContact CD2-CD2 4.01Å; L314-F354 HydrophobicContact CD2-CE2 3.48Å; L314-F354 VanDerWaalsContact CD2-CE2 3.48Å; L314-F354 HydrophobicContact CD2-CZ 4.36Å; A331-F354 WeakPolarHBondContact CA-O 3.39Å; Y332-F354 HydrophobicContact CD1-CB 4.18Å; Y332-F354 HydrophobicContact CD2-CB 4.2Å; Y332-F354 AromaticContact CD2-CD2 3.98Å; Y332-F354 HydrophobicContact CD2-CD2 3.98Å; Y332-F354 HydrophobicContact CE1-CB 3.62Å; Y332-F354 HydrophobicContact CE2-CB 3.64Å; Y332-F354 AromaticContact CE2-CD2 3.35Å; Y332-F354 HydrophobicContact CE2-CD2 3.35Å; Y332-F354 HydrophobicContact CE2-CE2 4.29Å; Y332-F354 AromaticContact CE2-CG 3.83Å; Y332-F354 HydrophobicContact CE2-CG 3.83Å; Y332-F354 HydrophobicContact CG-CB 4.44Å; Y332-F354 AromaticContact CZ-CD2 3.85Å; Y332-F354 AromaticContact CZ-CG 3.83Å; Y332-F354 PolarHBondContact N-O 3.28Å; Y332-F354 PolarHBondContact O-N 2.78Å; Y332-F354 WeakPolarHBondContact OH-CB 3Å; Y352-F354 VanDerWaalsContact CB-CZ 3.44Å; Y352-F354 HydrophobicContact CD2-CZ 4.25Å; Y352-F354 HydrophobicContact CG-CE2 4.32Å; Y352-F354 AromaticContact CG-CZ 3.86Å; Y352-F354 HydrophobicContact CG-CZ 3.86Å
355	L	98.1	Very high	94	Very high	5 Å²	5	63.1 Å²	63.1	3%	0.026	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123	175.4	-52.7	179.7	0	0	0	109.1	I32 V34 F47 L57 V71 T77 I329 A331	I32-L355 HydrophobicContact CB-CB 4.29Å; I32-L355 PolarHBondContact N-O 2.85Å; I32-L355 PolarHBondContact O-N 3.49Å; V34-L355 HydrophobicContact CG2-CD1 3.98Å; V34-L355 HydrophobicContact CG2-CD2 3.99Å; V34-L355 HydrophobicContact CG2-CG 3.78Å; F47-L355 HydrophobicContact CZ-CD2 4.24Å; L57-L355 HydrophobicContact CD2-CD2 4.17Å; V71-L355 HydrophobicContact CG1-CD1 3.59Å; V71-L355 HydrophobicContact CG2-CD1 4.13Å; T77-L355 HydrophobicContact CG2-CD1 3.62Å; I329-L355 HydrophobicContact CG2-CB 4.08Å; I329-L355 HydrophobicContact CG2-CD2 4.23Å; A331-L355 HydrophobicContact CB-CD2 3.71Å
356	R	97.2	Very high	92.7	Very high	31 Å²	31	67 Å²	67	12%	0.117	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.8	179	-177.1	171.6	-172.5	74.6	7.2	110.8	D31 I329 F330 Y332 A358 E361	D31-R356 VanDerWaalsContact CG-NH1 3.32Å; D31-R356 WeakPolarHBondContact OD1-CG 3.39Å; D31-R356 IonicContact OD1-CZ 3.87Å; D31-R356 IonicContact OD1-NH1 2.72Å; D31-R356 PolarHBondContact OD1-NH1 3.23Å; D31-R356 WeakPolarHBondContact OD2-CD 3.43Å; D31-R356 IonicContact OD2-NH1 2.66Å; D31-R356 PolarHBondContact OD2-NH1 3.27Å; D31-R356 VanDerWaalsContact OD2-NH1 3.11Å; I329-R356 WeakPolarHBondContact CA-O 3.28Å; F330-R356 HydrophobicContact CB-CB 4.45Å; F330-R356 PolarHBondContact N-O 2.99Å; F330-R356 PolarHBondContact O-N 3.17Å; Y332-R356 HydrophobicContact CE1-CB 4.28Å; R356-A358 HydrophobicContact CG-CB 4.26Å; R356-A358 PolarHBondContact O-N 3.14Å; R356-E361 IonicContact CZ-OE1 2.72Å; R356-E361 IonicContact CZ-OE2 3.42Å; R356-E361 IonicContact NE-OE1 3.9Å; R356-E361 IonicContact NE-OE2 3.84Å; R356-E361 PolarHBondContact NE-OE2 2.74Å; R356-E361 VanDerWaalsContact NH2-CD 3.28Å; R356-E361 IonicContact NH2-OE1 3.16Å; R356-E361 PolarHBondContact NH2-OE1 3.4Å; R356-E361 IonicContact NH2-OE2 3.31Å; R356-E361 PolarHBondContact NH2-OE2 3.12Å
357	N	93.2	Very high	90.8	Very high	111 Å²	111	73.4 Å²	73.4	59%	0.594	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	95.9	169.3	-69.9	-37.8	0	0	0	109.2	N328	N328-N357 CarbonylContact O-C 3.55Å; N328-N357 WeakPolarHBondContact O-CA 3.34Å
358	A	86.6	Confident	88.3	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	38%	0.382	C	S	.	.			trans	-113.4	8	-165.2	0	0	0	0	0	114.3	F299 N328 F330 R356 E360 E361 L362	F299-A358 HydrophobicContact CE2-CB 4.29Å; F299-A358 HydrophobicContact CZ-CB 4.19Å; N328-A358 PolarHBondContact O-N 3.22Å; F330-A358 HydrophobicContact CB-CB 3.92Å; R356-A358 HydrophobicContact CG-CB 4.26Å; R356-A358 PolarHBondContact O-N 3.14Å; A358-E360 VanDerWaalsContact C-N 3.27Å; A358-E360 PolarHBondContact O-N 3.03Å; A358-E361 PolarHBondContact O-N 2.75Å; A358-L362 HydrophobicContact CB-CD1 3.86Å; A358-L362 PolarHBondContact O-N 2.87Å
359	A	86.9	Confident	87.9	Confident	22 Å²	22	79.1 Å²	79.1	18%	0.182	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-42.3	-175.4	0	0	0	0	0	113.5
360	E	92.2	Very high	87.6	Confident	137 Å²	137	78.9 Å²	78.9	64%	0.64	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-29.1	-179.7	-61.9	-56.4	128	0	0	113.1	A358 L362 K363	A358-E360 VanDerWaalsContact C-N 3.27Å; A358-E360 PolarHBondContact O-N 3.03Å; E360-L362 VanDerWaalsContact C-N 3.27Å; E360-L362 PolarHBondContact O-N 2.9Å; E360-K363 WeakPolarHBondContact OE1-CE 3.37Å; E360-K363 IonicContact OE1-NZ 3.47Å; E360-K363 PolarHBondContact OE1-NZ 3.03Å; E360-K363 WeakPolarHBondContact OE2-CE 3.35Å; E360-K363 IonicContact OE2-NZ 3.06Å; E360-K363 PolarHBondContact OE2-NZ 2.95Å
361	E	93.2	Very high	87	Confident	54 Å²	54	75.2 Å²	75.2	25%	0.252	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-17.1	-176	-60.4	-165.8	140.4	0	0	113.3	F299 K309 R356 A358	F299-E361 HydrophobicContact CD2-CB 4Å; F299-E361 HydrophobicContact CE2-CB 3.92Å; F299-E361 WeakPolarHBondContact CE2-OE2 3.2Å; K309-E361 VanDerWaalsContact CD-OE2 3.29Å; K309-E361 WeakPolarHBondContact CD-OE2 3.48Å; K309-E361 VanDerWaalsContact CE-OE1 3.3Å; K309-E361 WeakPolarHBondContact CE-OE1 3.44Å; K309-E361 WeakPolarHBondContact CE-OE2 3.49Å; K309-E361 IonicContact NZ-OE1 2.83Å; K309-E361 PolarHBondContact NZ-OE1 3.22Å; K309-E361 IonicContact NZ-OE2 3.48Å; R356-E361 IonicContact CZ-OE1 2.72Å; R356-E361 IonicContact CZ-OE2 3.42Å; R356-E361 IonicContact NE-OE1 3.9Å; R356-E361 IonicContact NE-OE2 3.84Å; R356-E361 PolarHBondContact NE-OE2 2.74Å; R356-E361 VanDerWaalsContact NH2-CD 3.28Å; R356-E361 IonicContact NH2-OE1 3.16Å; R356-E361 PolarHBondContact NH2-OE1 3.4Å; R356-E361 IonicContact NH2-OE2 3.31Å; R356-E361 PolarHBondContact NH2-OE2 3.12Å; A358-E361 PolarHBondContact O-N 2.75Å
362	L	93.9	Very high	86.4	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	2.5	-175.2	-79.3	153.1	0	0	0	113.9	T287 F299 F323 A358 E360	T287-L362 WeakPolarHBondContact CB-O 3.46Å; T287-L362 VanDerWaalsContact CG2-O 3.24Å; T287-L362 WeakPolarHBondContact CG2-O 3.28Å; T287-L362 PolarHBondContact OG1-O 3.06Å; F299-L362 HydrophobicContact CB-CD2 3.81Å; F299-L362 HydrophobicContact CB-CG 4.48Å; F299-L362 HydrophobicContact CD1-CD2 3.69Å; F299-L362 HydrophobicContact CD1-CG 4.23Å; F299-L362 HydrophobicContact CD2-CD2 4.14Å; F299-L362 HydrophobicContact CD2-CG 3.97Å; F299-L362 HydrophobicContact CE1-CD1 4.31Å; F299-L362 HydrophobicContact CE1-CD2 4.29Å; F299-L362 HydrophobicContact CE1-CG 4.48Å; F299-L362 HydrophobicContact CE2-CD1 4.39Å; F299-L362 HydrophobicContact CE2-CG 4.23Å; F299-L362 HydrophobicContact CG-CD2 3.61Å; F299-L362 HydrophobicContact CG-CG 3.98Å; F299-L362 HydrophobicContact CZ-CD1 4.26Å; F299-L362 HydrophobicContact CZ-CG 4.49Å; F323-L362 HydrophobicContact CD1-CD1 4.41Å; F323-L362 HydrophobicContact CE1-CD1 3.23Å; F323-L362 HydrophobicContact CZ-CD1 3.37Å; F323-L362 HydrophobicContact CZ-CD2 4.15Å; F323-L362 HydrophobicContact CZ-CG 4.42Å; A358-L362 HydrophobicContact CB-CD1 3.86Å; A358-L362 PolarHBondContact O-N 2.87Å; E360-L362 VanDerWaalsContact C-N 3.27Å; E360-L362 PolarHBondContact O-N 2.9Å
363	K	93.8	Very high	85.7	Confident	89 Å²	89	81.9 Å²	81.9	39%	0.387	38%	0.383	S	S	.	.	S	Bend	trans	-66.6	135.2	172.5	-71.3	177.9	-175.3	170.6	0	109.8	E360	E360-K363 WeakPolarHBondContact OE1-CE 3.37Å; E360-K363 IonicContact OE1-NZ 3.47Å; E360-K363 PolarHBondContact OE1-NZ 3.03Å; E360-K363 WeakPolarHBondContact OE2-CE 3.35Å; E360-K363 IonicContact OE2-NZ 3.06Å; E360-K363 PolarHBondContact OE2-NZ 2.95Å
364	P	90.4	Very high	84.8	Confident	57 Å²	57	87.3 Å²	87.3	37%	0.37	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-59.9	147.7	173.4	26.8	-34.1	0	0	0	109.6	T287 D301 N366	T287-P364 HydrophobicContact CG2-CB 4.42Å; D301-P364 WeakPolarHBondContact OD2-CB 3.31Å; P364-N366 PolarHBondContact O-N 2.99Å
365	R	78.4	Confident	83.8	Confident	167 Å²	167	93.6 Å²	93.6	63%	0.63	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-65.9	128.1	175.4	-72.3	-173.9	-178.3	-177.9	2.2	108.7	L308 K367	L308-R365 HydrophobicContact CD2-CG 4.16Å; R365-K367 PolarHBondContact O-N 3.49Å
366	N	68.6	Low	82.7	Confident	152 Å²	152	100.4 Å²	100.4	81%	0.813	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-52.6	128.9	168.1	-74.2	-16	0	0	0	108.4	P364 K368	P364-N366 PolarHBondContact O-N 2.99Å; N366-K368 PolarHBondContact O-N 2.92Å
367	K	58.4	Low	81.5	Confident	208 Å²	208	106.2 Å²	106.2	90%	0.904	50%	0.498	S	S	*	.			trans	-60.7	109.4	166.4	-70.7	-174.5	178.6	-177	0	106.3	R365	R365-K367 PolarHBondContact O-N 3.49Å
368	K	42.9	Very low	80.5	Confident	277 Å²	277	105.7 Å²	105.7	100%	1.204	49%	0.489	S	S	*	.			trans	-65.9	0	166.6	-78.8	-167.7	176.7	-173.7	0	110	N366	N366-K368 PolarHBondContact O-N 2.92Å

Retrieved 368 of 368 residues in 1643.1 ms (Link to these results)

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