A0A5K4FDJ1_SCHMA Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDJ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 945 aa.

						>A0A5K4FDJ1_SCHMA|A0A5K4FDJ1
MWIISWNLNMIRCNQGIGMKKLRLQSLDIEFCLPIGDSFCTELVPNSFCSIEKNECFCKYGHYSIQEDDGIICKTLLTNDKCQLDSDCVYVKNSICHPGAGACICPSGTIYIPEEQACRFQIKTFTNDYCDKCQRFHGLCYRNEEDQGIIRNFSLAYSQFNERIPYRCKCPYNTVSINTNLLWNKSYINQSKNLISVDDIQILDYMNKKENIGFCRGLLVDIGMFCNQIDMLCRSSNAFCSNGKMINNVYLSPQCVCQDGYLPVYQDYLDYYECIPACNRCYSIEQYPRQKHCVCPEIVRQNRIHKVYEISKNIQDNIFHFSRTQQNFTICFYPFMVDHQSSIFMRNTNITHFIVFISNQFNSLYPYDACLLSMFKEGIWCKIFNFSKNDDILTRCASIQFDHKKKEFTFKTYIIVLYQSVFDYVTKDIQNFISFTSYWNEENITLDSKEIKMINRNYTRRNHSETLDKLHQNLNFTMKNDLNTEYPQTIINPKESVHLHIEYYFQNNSYTYISIEQCSISPTSPYTKSDEIIILFWEEIVSPNVYLYGALFYVLSFSCLIYSPESINEIKFHSNDLSTYGNFTIPLNKYTSVSSMKSLTEADSSQLNSDLMGIDSNENFTVTSELHINCVFRVCQHIRWCVWPSYCNGHMRSLDHDLHQSDLSWSYTYPSILTLTKSLKIKISNSNSISPSLYSSPHSPAFKNNKSINSICEPNNNIFIKFSTNFIILIICLVTGIIFTLFYYHYNTLTCQPRYNQCCRTFHRWNHKKPTNNQLVTYNLCSNPLNTKVLQSPVDEADTSDHSLNSILQENSHQLHQYSSLKYLESNCSMITQHDLIHHKKDHQDHDQFDLNKNYKHRLSSSTDLQQQQQRLQQKSIFVPYCLHNQTLCFLQSDWNNIDKQENSFKSINTTDYTYFSNNFYDLSNSVKVKTDSSNYNHDEQEFNV
					

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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	58.9	Low	67	Low	183 Å²	183	119.5 Å²	119.5	90%	0.901	58%	0.576	S	S	*	*				0	-63.7	0	-78.4	-57.5	165.8	0	0	113.4	I3 I4 S5	M1-I3 PolarHBondContact O-N 3.48Å; M1-I4 WeakPolarHBondContact O-CB 3.45Å; M1-I4 PolarHBondContact O-N 3.41Å; M1-S5 PolarHBondContact O-N 3.25Å; M1-S5 VanDerWaalsContact O-N 3.08Å
2	W	68.4	Low	65.8	Low	211 Å²	211	125.3 Å²	125.3	80%	0.799	59%	0.587	S	S	*	*	H	α-helix	trans	-53.8	-46.7	-174.5	-138.6	75.2	0	0	0	114.4	I4 S5 W6	W2-I4 VanDerWaalsContact C-N 3.29Å; W2-I4 PolarHBondContact O-N 3.19Å; W2-S5 WeakPolarHBondContact O-CB 3.26Å; W2-S5 PolarHBondContact O-N 3.32Å; W2-W6 PolarHBondContact O-N 3.31Å
3	I	72.3	Confident	64.2	Low	125 Å²	125	121.8 Å²	121.8	64%	0.641	58%	0.584	S	S	*	*	H	α-helix	trans	-60.2	-35.8	176.6	-60.6	169.8	0	0	0	112.5	M1 W6 N7	M1-I3 PolarHBondContact O-N 3.48Å; I3-W6 PolarHBondContact O-N 3.44Å; I3-N7 PolarHBondContact O-N 2.68Å
4	I	77.3	Confident	63	Low	97 Å²	97	120.6 Å²	120.6	50%	0.497	58%	0.582	S	S	.	*	H	α-helix	trans	-70.8	-41.9	179	-57.2	174.2	0	0	0	109.9	M1 W2 W6 N7 L8	M1-I4 WeakPolarHBondContact O-CB 3.45Å; M1-I4 PolarHBondContact O-N 3.41Å; W2-I4 VanDerWaalsContact C-N 3.29Å; W2-I4 PolarHBondContact O-N 3.19Å; I4-W6 VanDerWaalsContact C-N 3.33Å; I4-W6 PolarHBondContact O-N 3.02Å; I4-N7 PolarHBondContact O-N 2.84Å; I4-L8 HydrophobicContact CG2-CD1 4Å; I4-L8 WeakPolarHBondContact O-CB 3.26Å; I4-L8 WeakPolarHBondContact O-CG 3.08Å; I4-L8 PolarHBondContact O-N 3.24Å
5	S	72.6	Confident	62	Low	62 Å²	62	121.8 Å²	121.8	43%	0.434	59%	0.587	S	S	.	*	H	α-helix	trans	-60.8	-41.6	173.4	-173.6	0	0	0	0	111.8	M1 W2 L8 N9	M1-S5 PolarHBondContact O-N 3.25Å; M1-S5 VanDerWaalsContact O-N 3.08Å; W2-S5 WeakPolarHBondContact O-CB 3.26Å; W2-S5 PolarHBondContact O-N 3.32Å; S5-L8 PolarHBondContact O-N 3.14Å; S5-N9 WeakPolarHBondContact O-CB 3.49Å; S5-N9 PolarHBondContact O-N 3.44Å; S5-N9 PolarHBondContact O-ND2 3.12Å
6	W	73.4	Confident	60.3	Low	171 Å²	171	117 Å²	117	65%	0.648	58%	0.579	S	S	*	*	H	α-helix	trans	-67.3	-42.9	179.2	-151	42.1	0	0	0	112.3	W2 I3 I4 N9 M10	W2-W6 PolarHBondContact O-N 3.31Å; I3-W6 PolarHBondContact O-N 3.44Å; I4-W6 VanDerWaalsContact C-N 3.33Å; I4-W6 PolarHBondContact O-N 3.02Å; W6-N9 PolarHBondContact O-N 3.12Å; W6-M10 WeakPolarHBondContact O-CG 3.23Å; W6-M10 PolarHBondContact O-N 2.94Å
7	N	68.6	Low	59.5	Low	89 Å²	89	117.4 Å²	117.4	48%	0.476	58%	0.582	S	S	.	*	H	α-helix	trans	-64.7	-40.5	173.5	-78	-21.1	0	0	0	112.7	I3 I4 M10 I11	I3-N7 PolarHBondContact O-N 2.68Å; I4-N7 PolarHBondContact O-N 2.84Å; N7-M10 PolarHBondContact O-N 3.2Å; N7-I11 VanDerWaalsContact O-CG1 3.27Å; N7-I11 WeakPolarHBondContact O-CG1 3.25Å; N7-I11 PolarHBondContact O-N 3.25Å
8	L	67.8	Low	58.2	Low	99 Å²	99	114.3 Å²	114.3	52%	0.518	59%	0.585	S	S	.	*	H	α-helix	trans	-65.1	-37.9	175.8	-76.4	168.3	0	0	0	112.5	I4 S5 I11 R12	I4-L8 HydrophobicContact CG2-CD1 4Å; I4-L8 WeakPolarHBondContact O-CB 3.26Å; I4-L8 WeakPolarHBondContact O-CG 3.08Å; I4-L8 PolarHBondContact O-N 3.24Å; S5-L8 PolarHBondContact O-N 3.14Å; L8-I11 PolarHBondContact O-N 3.3Å; L8-R12 PolarHBondContact O-N 3.12Å
9	N	63.9	Low	57.2	Low	83 Å²	83	115.3 Å²	115.3	44%	0.444	59%	0.589	S	S	.	*	H	α-helix	trans	-69.7	-37.9	173.6	-77.7	-25.4	0	0	0	112.2	S5 W6 R12 C13	S5-N9 WeakPolarHBondContact O-CB 3.49Å; S5-N9 PolarHBondContact O-N 3.44Å; S5-N9 PolarHBondContact O-ND2 3.12Å; W6-N9 PolarHBondContact O-N 3.12Å; N9-R12 PolarHBondContact O-N 2.67Å; N9-C13 WeakPolarHBondContact O-CB 3.22Å; N9-C13 PolarHBondContact O-N 3.35Å; N9-C13 PolarHBondContact O-SG 3.2Å; N9-C13 VanDerWaalsContact O-SG 3.4Å
10	M	55.8	Low	56.6	Low	103 Å²	103	118.2 Å²	118.2	51%	0.507	60%	0.597	S	S	.	*	H	α-helix	trans	-61.9	-40.8	171.8	-79.6	-72.8	-75.4	0	0	112.2	W6 N7 C13 N14	W6-M10 WeakPolarHBondContact O-CG 3.23Å; W6-M10 PolarHBondContact O-N 2.94Å; N7-M10 PolarHBondContact O-N 3.2Å; M10-C13 PolarHBondContact O-N 3.02Å; M10-N14 WeakPolarHBondContact O-CB 3.47Å; M10-N14 PolarHBondContact O-N 3.02Å
11	I	58.5	Low	56.2	Low	91 Å²	91	120.2 Å²	120.2	47%	0.467	60%	0.602	S	S	.	*	H	α-helix	trans	-64.6	-45.2	175.3	-68.6	163	0	0	0	110.7	N7 L8 N14 Q15	N7-I11 VanDerWaalsContact O-CG1 3.27Å; N7-I11 WeakPolarHBondContact O-CG1 3.25Å; N7-I11 PolarHBondContact O-N 3.25Å; L8-I11 PolarHBondContact O-N 3.3Å; I11-N14 PolarHBondContact O-N 2.85Å; I11-Q15 WeakPolarHBondContact O-CB 3.18Å; I11-Q15 WeakPolarHBondContact O-CG 3.41Å; I11-Q15 PolarHBondContact O-N 3.38Å
12	R	52	Low	55.7	Low	189 Å²	189	114.7 Å²	114.7	71%	0.713	58%	0.576	S	S	*	*	H	α-helix	trans	-63.3	-40.7	175.6	-78.8	-176.6	170.4	-177.2	-3.1	113.1	L8 N9 G16	L8-R12 PolarHBondContact O-N 3.12Å; N9-R12 PolarHBondContact O-N 2.67Å; R12-G16 PolarHBondContact O-N 3.27Å; R12-G16 VanDerWaalsContact O-N 3.11Å
13	C	45.6	Very low	55.1	Low	80 Å²	80	115.1 Å²	115.1	54%	0.541	58%	0.577	S	S	.	*	H	α-helix	trans	-66.2	-42.4	176.1	-75.9	0	0	0	0	112.1	N9 M10 G16 I17	N9-C13 WeakPolarHBondContact O-CB 3.22Å; N9-C13 PolarHBondContact O-N 3.35Å; N9-C13 PolarHBondContact O-SG 3.2Å; N9-C13 VanDerWaalsContact O-SG 3.4Å; M10-C13 PolarHBondContact O-N 3.02Å; C13-G16 PolarHBondContact O-N 2.89Å; C13-I17 WeakPolarHBondContact O-CG1 3.34Å; C13-I17 PolarHBondContact O-N 3.26Å
14	N	46.7	Very low	54.7	Low	106 Å²	106	112.2 Å²	112.2	57%	0.567	56%	0.563	S	S	*	*	H	α-helix	trans	-69.1	-34.4	178.3	-75.5	-16.7	0	0	0	112.6	M10 I11 G16 I17	M10-N14 WeakPolarHBondContact O-CB 3.47Å; M10-N14 PolarHBondContact O-N 3.02Å; I11-N14 PolarHBondContact O-N 2.85Å; N14-G16 VanDerWaalsContact C-N 3.3Å; N14-G16 PolarHBondContact O-N 3.19Å; N14-I17 PolarHBondContact O-N 2.96Å
15	Q	47.9	Very low	54.5	Low	138 Å²	138	109.7 Å²	109.7	65%	0.645	55%	0.549	S	S	*	.	H	α-helix	trans	-66.8	-29.7	171.3	-74.2	177.9	-23	0	0	112.7	I11 I17	I11-Q15 WeakPolarHBondContact O-CB 3.18Å; I11-Q15 WeakPolarHBondContact O-CG 3.41Å; I11-Q15 PolarHBondContact O-N 3.38Å; Q15-I17 VanDerWaalsContact C-N 3.34Å; Q15-I17 PolarHBondContact O-N 2.8Å
16	G	35.3	Very low	54.9	Low	45 Å²	45	107.2 Å²	107.2	46%	0.464	53%	0.532	S	S	.	.	H	α-helix	trans	-72.2	-18.9	176.3	0	0	0	0	0	115.5	R12 C13 N14	R12-G16 PolarHBondContact O-N 3.27Å; R12-G16 VanDerWaalsContact O-N 3.11Å; C13-G16 PolarHBondContact O-N 2.89Å; N14-G16 VanDerWaalsContact C-N 3.3Å; N14-G16 PolarHBondContact O-N 3.19Å
17	I	46.4	Very low	55.4	Low	123 Å²	123	99.3 Å²	99.3	63%	0.631	50%	0.502	S	S	*	.	H	α-helix	trans	-89	-27.7	-174.9	-66.2	165	0	0	0	112.1	C13 N14 Q15 M19	C13-I17 WeakPolarHBondContact O-CG1 3.34Å; C13-I17 PolarHBondContact O-N 3.26Å; N14-I17 PolarHBondContact O-N 2.96Å; Q15-I17 VanDerWaalsContact C-N 3.34Å; Q15-I17 PolarHBondContact O-N 2.8Å; I17-M19 PolarHBondContact O-N 3.14Å
18	G	36.3	Very low	56	Low	62 Å²	62	101 Å²	101	64%	0.639	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-65.5	-22.4	176.9	0	0	0	0	0	114.8
19	M	40	Very low	56.6	Low	134 Å²	134	98.3 Å²	98.3	66%	0.66	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-86.9	-13	-170.3	-71.2	-80.3	-93.7	0	0	114.9	I17 K21	I17-M19 PolarHBondContact O-N 3.14Å; M19-K21 VanDerWaalsContact C-N 3.34Å; M19-K21 PolarHBondContact O-N 3.38Å
20	K	43.6	Very low	57.2	Low	172 Å²	172	99.4 Å²	99.4	75%	0.748	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-73.1	-21.7	-177.4	-76	-168.1	176.4	-174.7	0	114.3	L22	K20-L22 VanDerWaalsContact C-N 3.32Å; K20-L22 PolarHBondContact O-N 3.12Å
21	K	48.7	Very low	58.5	Low	161 Å²	161	100.8 Å²	100.8	70%	0.7	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-72.3	-24	-178.3	-155.8	179.4	-178.3	-169.6	0	113.2	M19	M19-K21 VanDerWaalsContact C-N 3.34Å; M19-K21 PolarHBondContact O-N 3.38Å
22	L	48.9	Very low	60	Low	68 Å²	68	96.4 Å²	96.4	36%	0.356	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-36.7	-173.5	-80.1	161.9	0	0	0	114.6	K20 L24 Q25 F57	K20-L22 VanDerWaalsContact C-N 3.32Å; K20-L22 PolarHBondContact O-N 3.12Å; L22-L24 PolarHBondContact O-N 2.98Å; L22-Q25 PolarHBondContact O-N 2.82Å; L22-Q25 VanDerWaalsContact O-N 3.16Å; L22-F57 HydrophobicContact CD2-CE1 4.46Å; L22-F57 WeakPolarHBondContact O-CE1 3.42Å
23	R	56.7	Low	61.6	Low	220 Å²	220	91.5 Å²	91.5	83%	0.83	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.8	-179.9	-89.3	-169.9	172.9	171.9	-1.8	113.9	Q25	R23-Q25 VanDerWaalsContact C-N 3.32Å
24	L	62.5	Low	63.3	Low	63 Å²	63	93.1 Å²	93.1	33%	0.33	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	1.4	-173.8	-66.9	177.7	0	0	0	113.7	L22 Y63 S64 G99	L22-L24 PolarHBondContact O-N 2.98Å; L24-Y63 HydrophobicContact CB-CE1 4.46Å; L24-Y63 HydrophobicContact CB-CE2 3.82Å; L24-Y63 VanDerWaalsContact CB-OH 3.3Å; L24-Y63 WeakPolarHBondContact CB-OH 3.29Å; L24-Y63 WeakPolarHBondContact CD1-OH 3.48Å; L24-Y63 WeakPolarHBondContact CD2-OH 3.27Å; L24-Y63 WeakPolarHBondContact CG-OH 3.39Å; L24-Y63 WeakPolarHBondContact O-CE1 3.31Å; L24-S64 PolarHBondContact O-OG 2.83Å; L24-G99 VanDerWaalsContact CD1-O 3.27Å; L24-G99 WeakPolarHBondContact CD1-O 3.15Å
25	Q	74.2	Confident	65.1	Low	44 Å²	44	93 Å²	93	21%	0.206	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-3.3	170.4	-64.8	-176.1	-61.3	0	0	112	L22 R23 F57 C58 H62	L22-Q25 PolarHBondContact O-N 2.82Å; L22-Q25 VanDerWaalsContact O-N 3.16Å; R23-Q25 VanDerWaalsContact C-N 3.32Å; Q25-F57 HydrophobicContact CB-CD1 3.85Å; Q25-F57 CarbonylContact O-C 3.43Å; Q25-F57 VanDerWaalsContact O-CA 3.27Å; Q25-F57 WeakPolarHBondContact O-CA 3.34Å; Q25-F57 WeakPolarHBondContact O-CD1 3.39Å; Q25-C58 HydrophobicContact CB-CB 4.44Å; Q25-C58 PolarHBondContact O-N 3.47Å; Q25-H62 PolarHBondContact NE2-O 3.22Å
26	S	80.3	Confident	67	Low	11 Å²	11	87.4 Å²	87.4	8%	0.077	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	140.5	174.9	-170.1	0	0	0	0	109.6	D28 S64	S26-D28 WeakPolarHBondContact CB-OD1 3.48Å; S26-D28 PolarHBondContact OG-N 2.98Å; S26-D28 VanDerWaalsContact OG-N 3.16Å; S26-D28 PolarHBondContact OG-OD1 3.43Å; S26-S64 WeakPolarHBondContact O-CB 3.31Å; S26-S64 PolarHBondContact O-OG 2.82Å
27	L	82.9	Confident	69.6	Low	4 Å²	4	89.3 Å²	89.3	2%	0.021	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-5.2	168.7	-64	171.7	0	0	0	112	I29 V44 S47 C56 I71	L27-I29 HydrophobicContact CB-CD1 4.03Å; L27-I29 HydrophobicContact CB-CG1 4.07Å; L27-I29 PolarHBondContact O-N 2.82Å; L27-I29 VanDerWaalsContact O-N 3.09Å; L27-V44 HydrophobicContact CD1-CB 3.76Å; L27-V44 HydrophobicContact CD1-CG1 3.87Å; L27-V44 HydrophobicContact CD1-CG2 3.95Å; L27-V44 HydrophobicContact CD2-CG1 4.07Å; L27-V44 HydrophobicContact CD2-CG2 4.44Å; L27-S47 VanDerWaalsContact CD1-CB 3.41Å; L27-C56 HydrophobicContact CB-CB 4.28Å; L27-C56 WeakPolarHBondContact CB-O 3.49Å; L27-C56 HydrophobicContact CD1-CB 3.89Å; L27-C56 PolarHBondContact N-O 2.89Å; L27-I71 HydrophobicContact CD2-CB 4.29Å; L27-I71 HydrophobicContact CD2-CG2 3.48Å; L27-I71 VanDerWaalsContact CD2-CG2 3.48Å
28	D	82	Confident	71.6	Confident	125 Å²	125	86.8 Å²	86.8	67%	0.668	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54	23.7	-174.5	-61.1	-7	0	0	0	113.3	S26	S26-D28 WeakPolarHBondContact CB-OD1 3.48Å; S26-D28 PolarHBondContact OG-N 2.98Å; S26-D28 VanDerWaalsContact OG-N 3.16Å; S26-D28 PolarHBondContact OG-OD1 3.43Å
29	I	80.4	Confident	74.2	Confident	43 Å²	43	86.2 Å²	86.2	22%	0.221	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	100.5	170.5	-56.2	170.3	0	0	0	107.6	L27 F39 L43 V44 E55 C56	L27-I29 HydrophobicContact CB-CD1 4.03Å; L27-I29 HydrophobicContact CB-CG1 4.07Å; L27-I29 PolarHBondContact O-N 2.82Å; L27-I29 VanDerWaalsContact O-N 3.09Å; I29-F39 HydrophobicContact CG2-CE1 3.8Å; I29-F39 HydrophobicContact CG2-CZ 4.22Å; I29-L43 HydrophobicContact CD1-CB 4.35Å; I29-L43 HydrophobicContact CD1-CD1 4.35Å; I29-L43 HydrophobicContact CG2-CD1 3.95Å; I29-V44 HydrophobicContact CD1-CG2 3.83Å; I29-E55 CarbonylContact O-C 3.58Å; I29-E55 VanDerWaalsContact O-CA 3.27Å; I29-E55 WeakPolarHBondContact O-CA 3.18Å; I29-C56 HydrophobicContact CB-CB 4.1Å; I29-C56 PolarHBondContact O-N 3.13Å
30	E	77.3	Confident	76.7	Confident	105 Å²	105	79.8 Å²	79.8	49%	0.491	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	165.2	176.8	-62.6	-179.5	178.2	0	0	112.4	N54	E30-N54 CarbonylContact C-O 3.59Å; E30-N54 WeakPolarHBondContact CA-O 3.22Å
31	F	82.5	Confident	78.9	Confident	132 Å²	132	74.1 Å²	74.1	58%	0.579	38%	0.376	S	S	*	.			trans	72.4	34.6	172.6	-57.7	-87	0	0	0	117.1	P34 N54	F31-P34 WeakPolarHBondContact O-CD 3.46Å; F31-N54 WeakPolarHBondContact CA-OD1 3.18Å; F31-N54 PolarHBondContact N-O 2.96Å
32	C	89.8	Confident	80.8	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.379	C	S	.	.			trans	-77.6	-22.5	176.3	64.7	0	0	0	0	115.4	I35 G36 F39 C40 C49 N54	C32-I35 PolarHBondContact O-N 3.21Å; C32-G36 PolarHBondContact O-N 3.23Å; C32-F39 HydrophobicContact CB-CD1 3.74Å; C32-F39 HydrophobicContact CB-CE1 4.2Å; C32-C40 WeakPolarHBondContact CB-SG 2.97Å; C32-C49 HydrophobicContact CB-CB 3.66Å; C32-C49 WeakPolarHBondContact CB-SG 3.41Å; C32-C49 WeakPolarHBondContact SG-CA 3.05Å; C32-C49 WeakPolarHBondContact SG-CB 3.07Å; C32-C49 CovalentContact SG-SG 2.04Å; C32-C49 PolarHBondContact SG-SG 3.11Å; C32-N54 PolarHBondContact N-OD1 2.93Å
33	L	85.4	Confident	82.6	Confident	85 Å²	85	75.7 Å²	75.7	45%	0.445	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-38.1	-174	-83.7	174.3	0	0	0	116.7	I35 I51 N54	L33-I35 PolarHBondContact O-N 2.86Å; L33-I51 HydrophobicContact CD2-CB 4.26Å; L33-I51 HydrophobicContact CD2-CG1 4.39Å; L33-I51 HydrophobicContact CD2-CG2 4Å; L33-N54 WeakPolarHBondContact CB-OD1 3.06Å; L33-N54 HydrophobicContact CD1-CB 3.7Å; L33-N54 HydrophobicContact CG-CB 3.97Å; L33-N54 VanDerWaalsContact CG-OD1 3.24Å; L33-N54 WeakPolarHBondContact CG-OD1 3.47Å; L33-N54 PolarHBondContact N-OD1 3.22Å
34	P	81.7	Confident	84.2	Confident	114 Å²	114	65.6 Å²	65.6	74%	0.74	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.7	-177.1	-21	34.1	0	0	0	114.4	F31	F31-P34 WeakPolarHBondContact O-CD 3.46Å
35	I	84.8	Confident	85.4	Confident	104 Å²	104	66.7 Å²	66.7	53%	0.533	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-30.6	-174.2	-55.7	168.9	0	0	0	110.7	C32 L33 S38 F39	C32-I35 PolarHBondContact O-N 3.21Å; L33-I35 PolarHBondContact O-N 2.86Å; I35-S38 WeakPolarHBondContact CG2-OG 3.5Å; I35-S38 PolarHBondContact O-OG 3.26Å; I35-F39 HydrophobicContact CB-CB 3.75Å; I35-F39 HydrophobicContact CD1-CB 4.17Å; I35-F39 HydrophobicContact CD1-CD2 3.82Å; I35-F39 HydrophobicContact CD1-CG 4.23Å; I35-F39 HydrophobicContact CG2-CB 3.67Å
36	G	88.3	Confident	86.1	Confident	21 Å²	21	67.9 Å²	67.9	22%	0.216	37%	0.368	C	S	.	.			trans	86.4	-151.3	177.7	0	0	0	0	0	113.6	C32 S38 F39	C32-G36 PolarHBondContact O-N 3.23Å; G36-S38 PolarHBondContact O-N 3.08Å; G36-F39 PolarHBondContact O-N 3.42Å
37	D	88.1	Confident	86.7	Confident	85 Å²	85	67.3 Å²	67.3	46%	0.455	36%	0.364	S	S	.	.	H	α-helix	trans	-63.7	-23.7	-174	-72.4	-12.5	0	0	0	114.1	T41 C49	D37-T41 VanDerWaalsContact O-CB 3.3Å; D37-T41 WeakPolarHBondContact O-CB 3.03Å; D37-T41 PolarHBondContact O-N 2.87Å; D37-T41 PolarHBondContact O-OG1 3.48Å; D37-C49 PolarHBondContact OD1-N 3.05Å
38	S	89.1	Confident	87.2	Confident	69 Å²	69	70.4 Å²	70.4	48%	0.483	38%	0.377	S	S	.	.	H	α-helix	trans	-63.7	-47.2	178.1	43.2	0	0	0	0	111.8	I35 G36 C40 T41 E42	I35-S38 WeakPolarHBondContact CG2-OG 3.5Å; I35-S38 PolarHBondContact O-OG 3.26Å; G36-S38 PolarHBondContact O-N 3.08Å; S38-C40 VanDerWaalsContact C-N 3.33Å; S38-C40 PolarHBondContact O-N 3.24Å; S38-T41 PolarHBondContact O-N 3.14Å; S38-T41 VanDerWaalsContact O-N 3.17Å; S38-E42 VanDerWaalsContact O-CB 3.26Å; S38-E42 WeakPolarHBondContact O-CB 3.24Å; S38-E42 PolarHBondContact O-N 3.16Å
39	F	90.7	Very high	87.7	Confident	50 Å²	50	64.8 Å²	64.8	22%	0.219	35%	0.348	C	S	.	.	H	α-helix	trans	-57.2	-45.5	176.7	171.3	-101.3	0	0	0	112.3	I29 C32 I35 G36 L43	I29-F39 HydrophobicContact CG2-CE1 3.8Å; I29-F39 HydrophobicContact CG2-CZ 4.22Å; C32-F39 HydrophobicContact CB-CD1 3.74Å; C32-F39 HydrophobicContact CB-CE1 4.2Å; I35-F39 HydrophobicContact CB-CB 3.75Å; I35-F39 HydrophobicContact CD1-CB 4.17Å; I35-F39 HydrophobicContact CD1-CD2 3.82Å; I35-F39 HydrophobicContact CD1-CG 4.23Å; I35-F39 HydrophobicContact CG2-CB 3.67Å; G36-F39 PolarHBondContact O-N 3.42Å; F39-L43 HydrophobicContact CD1-CD1 4.24Å; F39-L43 HydrophobicContact CD2-CD1 4.18Å; F39-L43 HydrophobicContact CE1-CD1 3.78Å; F39-L43 HydrophobicContact CE2-CD1 3.71Å; F39-L43 HydrophobicContact CG-CD1 4.44Å; F39-L43 HydrophobicContact CZ-CD1 3.49Å; F39-L43 VanDerWaalsContact CZ-CD1 3.49Å; F39-L43 WeakPolarHBondContact O-CG 3.26Å; F39-L43 PolarHBondContact O-N 3.32Å
40	C	92.2	Very high	88.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.7	-48.2	175.7	-61.7	0	0	0	0	111	C32 S38 E42 L43 V44 S47 C56	C32-C40 WeakPolarHBondContact CB-SG 2.97Å; S38-C40 VanDerWaalsContact C-N 3.33Å; S38-C40 PolarHBondContact O-N 3.24Å; C40-E42 VanDerWaalsContact C-N 3.29Å; C40-E42 PolarHBondContact O-N 3.49Å; C40-L43 PolarHBondContact O-N 3.48Å; C40-V44 CarbonylContact O-C 3.57Å; C40-V44 PolarHBondContact O-N 2.82Å; C40-V44 VanDerWaalsContact O-O 3.04Å; C40-S47 VanDerWaalsContact CB-OG 3.29Å; C40-S47 WeakPolarHBondContact CB-OG 2.92Å; C40-S47 PolarHBondContact O-OG 3.23Å; C40-C56 WeakPolarHBondContact CA-SG 3.28Å; C40-C56 HydrophobicContact CB-CB 3.7Å; C40-C56 WeakPolarHBondContact CB-SG 3.32Å; C40-C56 VanDerWaalsContact SG-CA 3.55Å; C40-C56 WeakPolarHBondContact SG-CB 3.44Å; C40-C56 CovalentContact SG-SG 2.04Å; C40-C56 PolarHBondContact SG-SG 2.77Å
41	T	90	Very high	88.6	Confident	53 Å²	53	65.3 Å²	65.3	33%	0.325	35%	0.354	S	S	.	.	H	α-helix	trans	-63.5	-33.1	-177.7	-57.5	0	0	0	0	112.8	D37 S38 V44 S47	D37-T41 VanDerWaalsContact O-CB 3.3Å; D37-T41 WeakPolarHBondContact O-CB 3.03Å; D37-T41 PolarHBondContact O-N 2.87Å; D37-T41 PolarHBondContact O-OG1 3.48Å; S38-T41 PolarHBondContact O-N 3.14Å; S38-T41 VanDerWaalsContact O-N 3.17Å; T41-V44 CarbonylContact O-C 3.56Å; T41-S47 PolarHBondContact OG1-O 3.24Å; T41-S47 VanDerWaalsContact OG1-O 3.1Å
42	E	88.7	Confident	88.8	Confident	165 Å²	165	67.8 Å²	67.8	77%	0.771	37%	0.368	S	S	*	.	H	α-helix	trans	-70	-43	176.8	-175.8	177	-177.7	0	0	112	S38 C40	S38-E42 VanDerWaalsContact O-CB 3.26Å; S38-E42 WeakPolarHBondContact O-CB 3.24Å; S38-E42 PolarHBondContact O-N 3.16Å; C40-E42 VanDerWaalsContact C-N 3.29Å; C40-E42 PolarHBondContact O-N 3.49Å
43	L	87.9	Confident	88.7	Confident	96 Å²	96	71.9 Å²	71.9	50%	0.503	39%	0.386	S	S	.	.	H	α-helix	trans	-75.2	-43.6	177.3	-69.4	174.1	0	0	0	112.9	I29 F39 C40	I29-L43 HydrophobicContact CD1-CB 4.35Å; I29-L43 HydrophobicContact CD1-CD1 4.35Å; I29-L43 HydrophobicContact CG2-CD1 3.95Å; F39-L43 HydrophobicContact CD1-CD1 4.24Å; F39-L43 HydrophobicContact CD2-CD1 4.18Å; F39-L43 HydrophobicContact CE1-CD1 3.78Å; F39-L43 HydrophobicContact CE2-CD1 3.71Å; F39-L43 HydrophobicContact CG-CD1 4.44Å; F39-L43 HydrophobicContact CZ-CD1 3.49Å; F39-L43 VanDerWaalsContact CZ-CD1 3.49Å; F39-L43 WeakPolarHBondContact O-CG 3.26Å; F39-L43 PolarHBondContact O-N 3.32Å; C40-L43 PolarHBondContact O-N 3.48Å
44	V	89.4	Confident	88.8	Confident	8 Å²	8	69.6 Å²	69.6	5%	0.048	37%	0.374	C	S	.	.	S	Bend	trans	-136.7	106.6	-178.2	-176.9	0	0	0	0	109	L27 I29 C40 T41 S47 I71 C73	L27-V44 HydrophobicContact CD1-CB 3.76Å; L27-V44 HydrophobicContact CD1-CG1 3.87Å; L27-V44 HydrophobicContact CD1-CG2 3.95Å; L27-V44 HydrophobicContact CD2-CG1 4.07Å; L27-V44 HydrophobicContact CD2-CG2 4.44Å; I29-V44 HydrophobicContact CD1-CG2 3.83Å; C40-V44 CarbonylContact O-C 3.57Å; C40-V44 PolarHBondContact O-N 2.82Å; C40-V44 VanDerWaalsContact O-O 3.04Å; T41-V44 CarbonylContact O-C 3.56Å; V44-S47 VanDerWaalsContact O-CB 3.25Å; V44-S47 WeakPolarHBondContact O-CB 3.1Å; V44-S47 PolarHBondContact O-N 2.75Å; V44-S47 PolarHBondContact O-OG 3.18Å; V44-I71 WeakPolarHBondContact CG2-O 3.11Å; V44-C73 HydrophobicContact CG1-CB 4.28Å
45	P	87.8	Confident	89.2	Confident	86 Å²	86	66 Å²	66	56%	0.558	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	145.3	175.1	-28.3	35.9	0	0	0	112.1	S47 C73	P45-S47 VanDerWaalsContact C-N 3.32Å; P45-S47 PolarHBondContact O-N 2.78Å; P45-C73 WeakPolarHBondContact O-CB 3.23Å
46	N	88.7	Confident	89.6	Confident	69 Å²	69	61 Å²	61	37%	0.369	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	31.6	-173.9	-53.9	-47.9	0	0	0	115	K59 C73	N46-K59 WeakPolarHBondContact O-CB 3.35Å; N46-K59 WeakPolarHBondContact O-CG 2.88Å; N46-K59 PolarHBondContact O-N 3.32Å; N46-C73 HydrophobicContact CB-CB 4.2Å
47	S	92.8	Very high	89.8	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	166.2	170.4	76.9	0	0	0	0	113.7	L27 C40 T41 V44 P45 F57 K59	L27-S47 VanDerWaalsContact CD1-CB 3.41Å; C40-S47 VanDerWaalsContact CB-OG 3.29Å; C40-S47 WeakPolarHBondContact CB-OG 2.92Å; C40-S47 PolarHBondContact O-OG 3.23Å; T41-S47 PolarHBondContact OG1-O 3.24Å; T41-S47 VanDerWaalsContact OG1-O 3.1Å; V44-S47 VanDerWaalsContact O-CB 3.25Å; V44-S47 WeakPolarHBondContact O-CB 3.1Å; V44-S47 PolarHBondContact O-N 2.75Å; V44-S47 PolarHBondContact O-OG 3.18Å; P45-S47 VanDerWaalsContact C-N 3.32Å; P45-S47 PolarHBondContact O-N 2.78Å; S47-F57 CarbonylContact C-O 3.35Å; S47-F57 WeakPolarHBondContact CA-O 3Å; S47-F57 WeakPolarHBondContact CB-O 3.43Å; S47-K59 WeakPolarHBondContact O-CE 3.39Å
48	F	93.3	Very high	90.1	Very high	69 Å²	69	56.2 Å²	56.2	30%	0.303	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	160.4	179.8	76.4	-82.4	0	0	0	110.5	C56 F57 C58 K59	F48-C56 CarbonylContact O-C 3.58Å; F48-C56 WeakPolarHBondContact O-CA 3.43Å; F48-F57 HydrophobicContact CD1-CB 3.95Å; F48-F57 VanDerWaalsContact CD1-O 3.29Å; F48-F57 WeakPolarHBondContact CD1-O 3.5Å; F48-F57 HydrophobicContact CE1-CB 3.45Å; F48-F57 VanDerWaalsContact CE1-CB 3.45Å; F48-F57 HydrophobicContact CE1-CG 4.48Å; F48-F57 HydrophobicContact CE2-CB 4.45Å; F48-F57 HydrophobicContact CZ-CB 3.74Å; F48-F57 HydrophobicContact CZ-CG 4.37Å; F48-F57 PolarHBondContact N-O 3.32Å; F48-F57 PolarHBondContact O-N 3.41Å; F48-C58 WeakPolarHBondContact CE1-O 3.41Å; F48-K59 HydrophobicContact CB-CG 4.27Å; F48-K59 HydrophobicContact CD1-CG 4.01Å
49	C	93.1	Very high	90.2	Very high	7 Å²	7	56.5 Å²	56.5	5%	0.047	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119.9	178	-178.5	0	0	0	0	110.7	C32 D37 I51	C32-C49 HydrophobicContact CB-CB 3.66Å; C32-C49 WeakPolarHBondContact CB-SG 3.41Å; C32-C49 WeakPolarHBondContact SG-CA 3.05Å; C32-C49 WeakPolarHBondContact SG-CB 3.07Å; C32-C49 CovalentContact SG-SG 2.04Å; C32-C49 PolarHBondContact SG-SG 3.11Å; D37-C49 PolarHBondContact OD1-N 3.05Å; C49-I51 PolarHBondContact O-N 3.42Å
50	S	90.8	Very high	90	Very high	20 Å²	20	62.3 Å²	62.3	14%	0.14	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	110.4	172.2	-178.9	0	0	0	0	110.6	E52 K53 N54 E55 F57	S50-E52 PolarHBondContact O-N 2.99Å; S50-K53 PolarHBondContact O-N 3.06Å; S50-K53 VanDerWaalsContact O-N 3.13Å; S50-N54 PolarHBondContact O-N 2.79Å; S50-E55 PolarHBondContact N-O 3.48Å; S50-F57 VanDerWaalsContact CB-CE2 3.46Å
51	I	86.7	Confident	89.8	Confident	138 Å²	138	62.6 Å²	62.6	71%	0.708	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-37.5	179.4	-58.4	173.7	0	0	0	111.8	L33 C49 K53	L33-I51 HydrophobicContact CD2-CB 4.26Å; L33-I51 HydrophobicContact CD2-CG1 4.39Å; L33-I51 HydrophobicContact CD2-CG2 4Å; C49-I51 PolarHBondContact O-N 3.42Å; I51-K53 PolarHBondContact O-N 3.35Å
52	E	86.4	Confident	89.8	Confident	185 Å²	185	61.3 Å²	61.3	86%	0.864	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.2	-178.2	-64.1	-174.3	166.4	0	0	113.7	S50	S50-E52 PolarHBondContact O-N 2.99Å
53	K	86.3	Confident	89.8	Confident	85 Å²	85	54.1 Å²	54.1	37%	0.37	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-13	-169.4	-62	-166	-175.3	177.2	0	114.8	S50 I51 E55 F57	S50-K53 PolarHBondContact O-N 3.06Å; S50-K53 VanDerWaalsContact O-N 3.13Å; I51-K53 PolarHBondContact O-N 3.35Å; K53-E55 HydrophobicContact CB-CG 3.83Å; K53-E55 HydrophobicContact CD-CG 4.34Å; K53-E55 WeakPolarHBondContact CD-OE1 3.36Å; K53-E55 IonicContact NZ-OE1 3.6Å; K53-E55 PolarHBondContact NZ-OE1 3.15Å; K53-E55 PolarHBondContact O-N 2.68Å; K53-F57 HydrophobicContact CD-CE2 3.97Å; K53-F57 HydrophobicContact CD-CZ 3.88Å
54	N	88.6	Confident	89.9	Confident	38 Å²	38	50.5 Å²	50.5	20%	0.203	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	33.4	-176.3	-169.3	30.9	0	0	0	113.2	E30 F31 C32 L33 S50	E30-N54 CarbonylContact C-O 3.59Å; E30-N54 WeakPolarHBondContact CA-O 3.22Å; F31-N54 WeakPolarHBondContact CA-OD1 3.18Å; F31-N54 PolarHBondContact N-O 2.96Å; C32-N54 PolarHBondContact N-OD1 2.93Å; L33-N54 WeakPolarHBondContact CB-OD1 3.06Å; L33-N54 HydrophobicContact CD1-CB 3.7Å; L33-N54 HydrophobicContact CG-CB 3.97Å; L33-N54 VanDerWaalsContact CG-OD1 3.24Å; L33-N54 WeakPolarHBondContact CG-OD1 3.47Å; L33-N54 PolarHBondContact N-OD1 3.22Å; S50-N54 PolarHBondContact O-N 2.79Å
55	E	90.3	Very high	89.8	Confident	37 Å²	37	51 Å²	51	17%	0.173	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.1	178.6	72.9	-167.3	172.2	0	0	110.5	I29 S50 K53 F57	I29-E55 CarbonylContact O-C 3.58Å; I29-E55 VanDerWaalsContact O-CA 3.27Å; I29-E55 WeakPolarHBondContact O-CA 3.18Å; S50-E55 PolarHBondContact N-O 3.48Å; K53-E55 HydrophobicContact CB-CG 3.83Å; K53-E55 HydrophobicContact CD-CG 4.34Å; K53-E55 WeakPolarHBondContact CD-OE1 3.36Å; K53-E55 IonicContact NZ-OE1 3.6Å; K53-E55 PolarHBondContact NZ-OE1 3.15Å; K53-E55 PolarHBondContact O-N 2.68Å; E55-F57 HydrophobicContact CG-CD2 4.05Å; E55-F57 HydrophobicContact CG-CE2 3.29Å; E55-F57 HydrophobicContact CG-CZ 3.81Å; E55-F57 WeakPolarHBondContact O-CD2 3.49Å; E55-F57 WeakPolarHBondContact OE1-CE2 3.42Å; E55-F57 WeakPolarHBondContact OE1-CZ 3.46Å
56	C	93	Very high	89.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	139.8	178	-61.9	0	0	0	0	112.2	L27 I29 C40 F48	L27-C56 HydrophobicContact CB-CB 4.28Å; L27-C56 WeakPolarHBondContact CB-O 3.49Å; L27-C56 HydrophobicContact CD1-CB 3.89Å; L27-C56 PolarHBondContact N-O 2.89Å; I29-C56 HydrophobicContact CB-CB 4.1Å; I29-C56 PolarHBondContact O-N 3.13Å; C40-C56 WeakPolarHBondContact CA-SG 3.28Å; C40-C56 HydrophobicContact CB-CB 3.7Å; C40-C56 WeakPolarHBondContact CB-SG 3.32Å; C40-C56 VanDerWaalsContact SG-CA 3.55Å; C40-C56 WeakPolarHBondContact SG-CB 3.44Å; C40-C56 CovalentContact SG-SG 2.04Å; C40-C56 PolarHBondContact SG-SG 2.77Å; F48-C56 CarbonylContact O-C 3.58Å; F48-C56 WeakPolarHBondContact O-CA 3.43Å
57	F	92.4	Very high	89.6	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147	179.8	-81.6	-86	0	0	0	112.2	L22 Q25 S47 F48 S50 K53 E55 K59	L22-F57 HydrophobicContact CD2-CE1 4.46Å; L22-F57 WeakPolarHBondContact O-CE1 3.42Å; Q25-F57 HydrophobicContact CB-CD1 3.85Å; Q25-F57 CarbonylContact O-C 3.43Å; Q25-F57 VanDerWaalsContact O-CA 3.27Å; Q25-F57 WeakPolarHBondContact O-CA 3.34Å; Q25-F57 WeakPolarHBondContact O-CD1 3.39Å; S47-F57 CarbonylContact C-O 3.35Å; S47-F57 WeakPolarHBondContact CA-O 3Å; S47-F57 WeakPolarHBondContact CB-O 3.43Å; F48-F57 HydrophobicContact CD1-CB 3.95Å; F48-F57 VanDerWaalsContact CD1-O 3.29Å; F48-F57 WeakPolarHBondContact CD1-O 3.5Å; F48-F57 HydrophobicContact CE1-CB 3.45Å; F48-F57 VanDerWaalsContact CE1-CB 3.45Å; F48-F57 HydrophobicContact CE1-CG 4.48Å; F48-F57 HydrophobicContact CE2-CB 4.45Å; F48-F57 HydrophobicContact CZ-CB 3.74Å; F48-F57 HydrophobicContact CZ-CG 4.37Å; F48-F57 PolarHBondContact N-O 3.32Å; F48-F57 PolarHBondContact O-N 3.41Å; S50-F57 VanDerWaalsContact CB-CE2 3.46Å; K53-F57 HydrophobicContact CD-CE2 3.97Å; K53-F57 HydrophobicContact CD-CZ 3.88Å; E55-F57 HydrophobicContact CG-CD2 4.05Å; E55-F57 HydrophobicContact CG-CE2 3.29Å; E55-F57 HydrophobicContact CG-CZ 3.81Å; E55-F57 WeakPolarHBondContact O-CD2 3.49Å; E55-F57 WeakPolarHBondContact OE1-CE2 3.42Å; E55-F57 WeakPolarHBondContact OE1-CZ 3.46Å; F57-K59 PolarHBondContact O-N 3.13Å
58	C	93.2	Very high	89.1	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.007	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	136	163.8	-63.5	0	0	0	0	111.6	Q25 F48 H62 S64 C73	Q25-C58 HydrophobicContact CB-CB 4.44Å; Q25-C58 PolarHBondContact O-N 3.47Å; F48-C58 WeakPolarHBondContact CE1-O 3.41Å; C58-H62 HydrophobicContact CB-CB 4.02Å; C58-S64 PolarHBondContact SG-N 3.44Å; C58-S64 VanDerWaalsContact SG-N 3.44Å; C58-C73 WeakPolarHBondContact CA-SG 3.49Å; C58-C73 HydrophobicContact CB-CB 3.79Å; C58-C73 WeakPolarHBondContact CB-SG 3.16Å; C58-C73 WeakPolarHBondContact SG-CA 3.19Å; C58-C73 WeakPolarHBondContact SG-CB 3.35Å; C58-C73 CovalentContact SG-SG 2.04Å; C58-C73 PolarHBondContact SG-SG 2.85Å
59	K	91.3	Very high	88.3	Confident	76 Å²	76	62.2 Å²	62.2	33%	0.33	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-58.9	164.7	176.6	-70.2	179.5	-167.1	-175.8	0	111.1	N46 S47 F48 F57 H62	N46-K59 WeakPolarHBondContact O-CB 3.35Å; N46-K59 WeakPolarHBondContact O-CG 2.88Å; N46-K59 PolarHBondContact O-N 3.32Å; S47-K59 WeakPolarHBondContact O-CE 3.39Å; F48-K59 HydrophobicContact CB-CG 4.27Å; F48-K59 HydrophobicContact CD1-CG 4.01Å; F57-K59 PolarHBondContact O-N 3.13Å; K59-H62 WeakPolarHBondContact O-CA 3.29Å; K59-H62 WeakPolarHBondContact O-CB 3.27Å; K59-H62 PolarHBondContact O-N 3.41Å
60	Y	87.5	Confident	87.9	Confident	172 Å²	172	63.3 Å²	63.3	68%	0.675	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	146.7	171.9	-173.3	-95.8	0	0	0	111	H62 Y268	Y60-H62 PolarHBondContact O-N 3.15Å; Y60-H62 PolarHBondContact O-ND1 2.9Å; Y60-H62 VanDerWaalsContact O-ND1 3.13Å; Y60-Y268 HydrophobicContact CE1-CD1 4.33Å; Y60-Y268 HydrophobicContact CE1-CE1 4.38Å
61	G	87.2	Confident	87.7	Confident	5 Å²	5	65.4 Å²	65.4	5%	0.052	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	1.2	-170.9	0	0	0	0	0	115.1	L76	G61-L76 PolarHBondContact O-N 3.19Å
62	H	90.4	Very high	87.9	Confident	27 Å²	27	61.5 Å²	61.5	13%	0.125	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	159.1	178.6	-62.8	73.4	0	0	0	112.6	Q25 C58 K59 Y60 C73 K74 T75	Q25-H62 PolarHBondContact NE2-O 3.22Å; C58-H62 HydrophobicContact CB-CB 4.02Å; K59-H62 WeakPolarHBondContact O-CA 3.29Å; K59-H62 WeakPolarHBondContact O-CB 3.27Å; K59-H62 PolarHBondContact O-N 3.41Å; Y60-H62 PolarHBondContact O-N 3.15Å; Y60-H62 PolarHBondContact O-ND1 2.9Å; Y60-H62 VanDerWaalsContact O-ND1 3.13Å; H62-C73 HydrophobicContact CB-CB 4.16Å; H62-K74 CarbonylContact C-O 3.54Å; H62-K74 VanDerWaalsContact CA-O 3.26Å; H62-K74 WeakPolarHBondContact CA-O 3.35Å; H62-T75 PolarHBondContact CD2-OG1 3.09Å; H62-T75 PolarHBondContact NE2-OG1 2.86Å
63	Y	88.5	Confident	88.1	Confident	13 Å²	13	53.2 Å²	53.2	5%	0.051	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	138.3	-170.8	-161	-76.7	0	0	0	111.1	L24 I65 C73 K74 L76 H97 G99 A100	L24-Y63 HydrophobicContact CB-CE1 4.46Å; L24-Y63 HydrophobicContact CB-CE2 3.82Å; L24-Y63 VanDerWaalsContact CB-OH 3.3Å; L24-Y63 WeakPolarHBondContact CB-OH 3.29Å; L24-Y63 WeakPolarHBondContact CD1-OH 3.48Å; L24-Y63 WeakPolarHBondContact CD2-OH 3.27Å; L24-Y63 WeakPolarHBondContact CG-OH 3.39Å; L24-Y63 WeakPolarHBondContact O-CE1 3.31Å; Y63-I65 HydrophobicContact CD1-CG1 4.37Å; Y63-C73 CarbonylContact O-C 3.59Å; Y63-C73 WeakPolarHBondContact O-CA 3.46Å; Y63-K74 PolarHBondContact N-O 3.42Å; Y63-K74 PolarHBondContact O-N 3.44Å; Y63-L76 HydrophobicContact CD2-CD2 4.44Å; Y63-H97 AromaticContact CD1-CE1 3.96Å; Y63-H97 AromaticContact CD1-ND1 3.93Å; Y63-H97 AromaticContact CE1-CE1 3.06Å; Y63-H97 WeakPolarHBondContact CE1-CE1 3.47Å; Y63-H97 AromaticContact CE1-CG 4Å; Y63-H97 AromaticContact CE1-ND1 3.24Å; Y63-H97 WeakPolarHBondContact CE1-ND1 3.25Å; Y63-H97 AromaticContact CE1-NE2 3.69Å; Y63-H97 AromaticContact CE2-ND1 3.95Å; Y63-H97 AromaticContact CZ-CE1 3.32Å; Y63-H97 AromaticContact CZ-ND1 3.18Å; Y63-H97 PolarHBondContact OH-CE1 2.83Å; Y63-H97 PolarHBondContact OH-ND1 3.34Å; Y63-H97 VanDerWaalsContact OH-ND1 3.12Å; Y63-G99 VanDerWaalsContact OH-C 3.27Å; Y63-G99 VanDerWaalsContact OH-CA 3.32Å; Y63-G99 WeakPolarHBondContact OH-CA 3.44Å; Y63-A100 HydrophobicContact CD2-CB 3.66Å; Y63-A100 HydrophobicContact CE2-CB 3.37Å; Y63-A100 HydrophobicContact CG-CB 4.49Å; Y63-A100 PolarHBondContact OH-N 2.93Å
64	S	89.4	Confident	88.4	Confident	21 Å²	21	50.1 Å²	50.1	15%	0.147	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	127.3	-177.7	49.4	0	0	0	0	112	L24 S26 C58 I72	L24-S64 PolarHBondContact O-OG 2.83Å; S26-S64 WeakPolarHBondContact O-CB 3.31Å; S26-S64 PolarHBondContact O-OG 2.82Å; C58-S64 PolarHBondContact SG-N 3.44Å; C58-S64 VanDerWaalsContact SG-N 3.44Å; S64-I72 WeakPolarHBondContact CA-O 3.07Å
65	I	87.5	Confident	88.5	Confident	17 Å²	17	50.3 Å²	50.3	9%	0.087	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.5	178	-61.7	178.8	0	0	0	108.2	Y63 I71 I72 K74 I104	Y63-I65 HydrophobicContact CD1-CG1 4.37Å; I65-I71 WeakPolarHBondContact O-CA 3.44Å; I65-I72 PolarHBondContact N-O 3.15Å; I65-I72 PolarHBondContact O-N 2.97Å; I65-K74 HydrophobicContact CD1-CB 3.91Å; I65-K74 HydrophobicContact CD1-CD 3.93Å; I65-K74 HydrophobicContact CD1-CG 3.91Å; I65-I104 HydrophobicContact CD1-CD1 3.4Å
66	Q	86.8	Confident	88.5	Confident	159 Å²	159	49.1 Å²	49.1	74%	0.743	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	119.5	172	-168.3	169.2	11.8	0	0	109.7
67	E	85.7	Confident	88.4	Confident	14 Å²	14	49.2 Å²	49.2	7%	0.065	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	174.9	164.1	-68.7	-157.6	167.6	0	0	110.1	D69 G70 I72 K74 S107 G108 K123	E67-D69 PolarHBondContact O-N 2.97Å; E67-G70 PolarHBondContact N-O 2.84Å; E67-G70 PolarHBondContact O-N 2.81Å; E67-I72 HydrophobicContact CG-CD1 3.69Å; E67-I72 HydrophobicContact CG-CG1 4.06Å; E67-K74 WeakPolarHBondContact OE1-CE 3.49Å; E67-K74 IonicContact OE1-NZ 3.88Å; E67-K74 PolarHBondContact OE1-NZ 3.37Å; E67-S107 WeakPolarHBondContact OE1-CA 3.35Å; E67-G108 PolarHBondContact OE1-N 3.06Å; E67-K123 IonicContact OE2-NZ 3.38Å; E67-K123 PolarHBondContact OE2-NZ 3.06Å
68	D	81.9	Confident	88.1	Confident	162 Å²	162	49.2 Å²	49.2	87%	0.866	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-30.8	-178.8	-50.7	-55.5	0	0	0	113
69	D	77.5	Confident	87.7	Confident	125 Å²	125	51.4 Å²	51.4	67%	0.668	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-2.6	179	-50.7	-52	0	0	0	113.7	E67 K123	E67-D69 PolarHBondContact O-N 2.97Å; D69-K123 VanDerWaalsContact OD2-CD 3.23Å; D69-K123 WeakPolarHBondContact OD2-CD 3.37Å; D69-K123 WeakPolarHBondContact OD2-CE 3.43Å; D69-K123 IonicContact OD2-NZ 2.71Å; D69-K123 PolarHBondContact OD2-NZ 3.05Å
70	G	85.5	Confident	87.4	Confident	30 Å²	30	51.3 Å²	51.3	31%	0.309	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	129.2	-166.6	-178.1	0	0	0	0	0	114.7	E67	E67-G70 PolarHBondContact N-O 2.84Å; E67-G70 PolarHBondContact O-N 2.81Å
71	I	86.7	Confident	87.5	Confident	65 Å²	65	52 Å²	52	33%	0.333	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.6	-178.8	-51.5	174.1	0	0	0	109.7	L27 V44 I65	L27-I71 HydrophobicContact CD2-CB 4.29Å; L27-I71 HydrophobicContact CD2-CG2 3.48Å; L27-I71 VanDerWaalsContact CD2-CG2 3.48Å; V44-I71 WeakPolarHBondContact CG2-O 3.11Å; I65-I71 WeakPolarHBondContact O-CA 3.44Å
72	I	89.8	Confident	87.7	Confident	56 Å²	56	52 Å²	52	29%	0.287	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	152.6	179.4	61.8	166.4	0	0	0	112.1	S64 I65 E67 K74	S64-I72 WeakPolarHBondContact CA-O 3.07Å; I65-I72 PolarHBondContact N-O 3.15Å; I65-I72 PolarHBondContact O-N 2.97Å; E67-I72 HydrophobicContact CG-CD1 3.69Å; E67-I72 HydrophobicContact CG-CG1 4.06Å; I72-K74 HydrophobicContact CD1-CD 4.47Å; I72-K74 HydrophobicContact CD1-CG 4.07Å; I72-K74 HydrophobicContact CG1-CG 4.35Å
73	C	91.6	Very high	87.7	Confident	11 Å²	11	59.1 Å²	59.1	7%	0.074	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	100.8	175.7	-66.3	0	0	0	0	111.5	V44 P45 N46 C58 H62 Y63	V44-C73 HydrophobicContact CG1-CB 4.28Å; P45-C73 WeakPolarHBondContact O-CB 3.23Å; N46-C73 HydrophobicContact CB-CB 4.2Å; C58-C73 WeakPolarHBondContact CA-SG 3.49Å; C58-C73 HydrophobicContact CB-CB 3.79Å; C58-C73 WeakPolarHBondContact CB-SG 3.16Å; C58-C73 WeakPolarHBondContact SG-CA 3.19Å; C58-C73 WeakPolarHBondContact SG-CB 3.35Å; C58-C73 CovalentContact SG-SG 2.04Å; C58-C73 PolarHBondContact SG-SG 2.85Å; H62-C73 HydrophobicContact CB-CB 4.16Å; Y63-C73 CarbonylContact O-C 3.59Å; Y63-C73 WeakPolarHBondContact O-CA 3.46Å
74	K	91.1	Very high	87.8	Confident	20 Å²	20	63.9 Å²	63.9	9%	0.087	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	144	174.1	-65.5	-150.3	-175.4	-166.1	0	112	H62 Y63 I65 E67 I72 C105 P106 T109	H62-K74 CarbonylContact C-O 3.54Å; H62-K74 VanDerWaalsContact CA-O 3.26Å; H62-K74 WeakPolarHBondContact CA-O 3.35Å; Y63-K74 PolarHBondContact N-O 3.42Å; Y63-K74 PolarHBondContact O-N 3.44Å; I65-K74 HydrophobicContact CD1-CB 3.91Å; I65-K74 HydrophobicContact CD1-CD 3.93Å; I65-K74 HydrophobicContact CD1-CG 3.91Å; E67-K74 WeakPolarHBondContact OE1-CE 3.49Å; E67-K74 IonicContact OE1-NZ 3.88Å; E67-K74 PolarHBondContact OE1-NZ 3.37Å; I72-K74 HydrophobicContact CD1-CD 4.47Å; I72-K74 HydrophobicContact CD1-CG 4.07Å; I72-K74 HydrophobicContact CG1-CG 4.35Å; K74-C105 VanDerWaalsContact CD-O 3.31Å; K74-C105 WeakPolarHBondContact CD-O 3.4Å; K74-P106 PolarHBondContact NZ-O 3.27Å; K74-T109 PolarHBondContact NZ-O 2.78Å
75	T	90.4	Very high	87.9	Confident	42 Å²	42	67.3 Å²	67.3	26%	0.258	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	137.4	176.8	-41.9	0	0	0	0	110.9	H62	H62-T75 PolarHBondContact CD2-OG1 3.09Å; H62-T75 PolarHBondContact NE2-OG1 2.86Å
76	L	91.9	Very high	87.8	Confident	12 Å²	12	69.3 Å²	69.3	6%	0.063	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-75.1	135.7	168.2	-61.6	178.6	0	0	0	109	G61 Y63 A100 A102 I104 Y268	G61-L76 PolarHBondContact O-N 3.19Å; Y63-L76 HydrophobicContact CD2-CD2 4.44Å; L76-A100 HydrophobicContact CD2-CB 4.31Å; L76-A102 HydrophobicContact CD2-CB 4.14Å; L76-I104 HydrophobicContact CD2-CG2 3.76Å; L76-Y268 HydrophobicContact CB-CD1 4.27Å; L76-Y268 HydrophobicContact CB-CD2 3.61Å; L76-Y268 HydrophobicContact CB-CE2 4.12Å; L76-Y268 HydrophobicContact CB-CG 3.69Å; L76-Y268 HydrophobicContact CD1-CD1 4.15Å; L76-Y268 HydrophobicContact CD1-CD2 4.27Å; L76-Y268 HydrophobicContact CD1-CE1 3.88Å; L76-Y268 HydrophobicContact CD1-CE2 4.02Å; L76-Y268 HydrophobicContact CD1-CG 4.33Å; L76-Y268 WeakPolarHBondContact O-CB 3.13Å
77	L	91.2	Very high	87.9	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.01	34%	0.335	C	S	.	.			trans	-99.8	-21.6	-165.8	-60.3	175.9	0	0	0	114.5	V91 C103 Y111 L269	L77-V91 HydrophobicContact CB-CG2 4.06Å; L77-V91 HydrophobicContact CD1-CB 4.09Å; L77-V91 HydrophobicContact CD1-CG1 3.95Å; L77-V91 HydrophobicContact CD1-CG2 4.32Å; L77-C103 HydrophobicContact CB-CB 4.31Å; L77-C103 WeakPolarHBondContact CB-O 3.32Å; L77-C103 PolarHBondContact N-O 3.38Å; L77-Y111 HydrophobicContact CD2-CD1 3.93Å; L77-Y111 HydrophobicContact CD2-CD2 3.72Å; L77-Y111 HydrophobicContact CD2-CE1 4.42Å; L77-Y111 HydrophobicContact CD2-CE2 4.24Å; L77-Y111 HydrophobicContact CD2-CG 3.55Å; L77-L269 HydrophobicContact CD2-CD2 4.31Å; L77-L269 VanDerWaalsContact O-CD1 3.3Å; L77-L269 WeakPolarHBondContact O-CD1 3.34Å
78	T	85.5	Confident	88.1	Confident	3 Å²	3	63 Å²	63	2%	0.018	34%	0.335	C	S	.	.			trans	-143.9	137.5	-173.1	59.7	0	0	0	0	110.8	D80 Y90 C103 Y268	T78-D80 PolarHBondContact O-N 3.38Å; T78-D80 PolarHBondContact OG1-O 3.4Å; T78-Y90 HydrophobicContact CG2-CD2 4.01Å; T78-C103 HydrophobicContact CG2-CB 4.17Å; T78-C103 WeakPolarHBondContact OG1-CB 3.45Å; T78-C103 PolarHBondContact OG1-SG 3.06Å; T78-C103 VanDerWaalsContact OG1-SG 3.4Å; T78-Y268 VanDerWaalsContact O-CD2 3.24Å; T78-Y268 WeakPolarHBondContact O-CD2 3.44Å; T78-Y268 VanDerWaalsContact O-CE2 3.24Å; T78-Y268 WeakPolarHBondContact O-CE2 3.37Å
79	N	84.7	Confident	88.3	Confident	48 Å²	48	57.6 Å²	57.6	26%	0.257	31%	0.307	S	S	.	.	S	Bend	trans	-63.1	-30.4	169.4	-81.5	0.6	0	0	0	112.6	D267 Y268	N79-D267 PolarHBondContact ND2-N 2.94Å; N79-D267 PolarHBondContact ND2-OD2 3Å; N79-D267 WeakPolarHBondContact OD1-CB 3.39Å; N79-D267 PolarHBondContact OD1-N 2.98Å; N79-Y268 PolarHBondContact OD1-N 3.33Å
80	D	84.7	Confident	88.4	Confident	74 Å²	74	53.6 Å²	53.6	40%	0.396	28%	0.283	S	S	.	.	S	Bend	trans	-66.7	138.9	178.6	-73.4	-39.9	0	0	0	111.7	T78 Y90	T78-D80 PolarHBondContact O-N 3.38Å; T78-D80 PolarHBondContact OG1-O 3.4Å; D80-Y90 VanDerWaalsContact OD2-CE2 3.31Å; D80-Y90 WeakPolarHBondContact OD2-CE2 3.33Å
81	K	88.9	Confident	88.5	Confident	187 Å²	187	52.2 Å²	52.2	81%	0.813	27%	0.269	S	S	*	.	B	Isolated β-bridge	trans	-83.2	130.5	178.1	-66.7	-177.7	-178.8	177.9	0	110.8	G101	K81-G101 CarbonylContact C-O 3.58Å; K81-G101 WeakPolarHBondContact CA-O 3.12Å; K81-G101 WeakPolarHBondContact CB-O 3.1Å
82	C	92.6	Very high	88.7	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.034	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-101.3	157	171.8	65.2	0	0	0	0	111	D87 C96 G101 A102	C82-D87 HydrophobicContact CB-CB 3.82Å; C82-C96 HydrophobicContact CB-CB 3.67Å; C82-C96 WeakPolarHBondContact CB-SG 3.46Å; C82-C96 PolarHBondContact O-SG 3.39Å; C82-C96 WeakPolarHBondContact SG-CA 3.42Å; C82-C96 WeakPolarHBondContact SG-CB 3.47Å; C82-C96 CovalentContact SG-SG 2.03Å; C82-C96 PolarHBondContact SG-SG 2.97Å; C82-G101 PolarHBondContact N-O 2.87Å; C82-G101 CarbonylContact O-C 3.54Å; C82-G101 WeakPolarHBondContact O-CA 3.47Å; C82-A102 VanDerWaalsContact SG-CA 3.53Å; C82-A102 PolarHBondContact SG-N 3.36Å
83	Q	90.4	Very high	88.7	Confident	176 Å²	176	55.8 Å²	55.8	82%	0.822	28%	0.284	S	S	*	.	S	Bend	trans	-120.4	-26.2	165.5	-62.4	-177.6	15.8	0	0	111.5	D87	Q83-D87 PolarHBondContact N-OD2 3.45Å
84	L	91.1	Very high	88.8	Confident	112 Å²	112	55.7 Å²	55.7	59%	0.586	28%	0.283	S	S	*	.	S	Bend	trans	-134.5	156.8	179.5	-61.6	171.6	0	0	0	109.6	S86 D87	L84-S86 PolarHBondContact O-N 2.86Å; L84-S86 VanDerWaalsContact O-N 3.11Å; L84-D87 PolarHBondContact N-OD2 3.41Å; L84-D87 WeakPolarHBondContact O-CB 3.43Å; L84-D87 PolarHBondContact O-N 3.37Å
85	D	90.6	Very high	88.9	Confident	94 Å²	94	57.4 Å²	57.4	50%	0.503	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-57.5	-28.6	177.2	-59.1	-26.8	0	0	0	112.5	D87 C88 I95 C96	D85-D87 PolarHBondContact O-N 3.37Å; D85-D87 VanDerWaalsContact O-N 3.15Å; D85-C88 WeakPolarHBondContact O-CB 3.3Å; D85-C88 PolarHBondContact O-N 3.33Å; D85-C88 VanDerWaalsContact O-N 3.07Å; D85-I95 WeakPolarHBondContact OD1-CB 3.42Å; D85-C96 PolarHBondContact OD1-N 3.35Å
86	S	86.4	Confident	89.1	Confident	59 Å²	59	56 Å²	56	41%	0.413	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-61.6	-17.7	174.8	60	0	0	0	0	114.9	L84 V89	L84-S86 PolarHBondContact O-N 2.86Å; L84-S86 VanDerWaalsContact O-N 3.11Å; S86-V89 WeakPolarHBondContact O-CG1 3.4Å
87	D	87.7	Confident	89.1	Confident	31 Å²	31	57 Å²	57	17%	0.166	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-85.4	-18.9	178.6	-50.3	-29.4	0	0	0	111.2	C82 Q83 L84 D85 V89	C82-D87 HydrophobicContact CB-CB 3.82Å; Q83-D87 PolarHBondContact N-OD2 3.45Å; L84-D87 PolarHBondContact N-OD2 3.41Å; L84-D87 WeakPolarHBondContact O-CB 3.43Å; L84-D87 PolarHBondContact O-N 3.37Å; D85-D87 PolarHBondContact O-N 3.37Å; D85-D87 VanDerWaalsContact O-N 3.15Å; D87-V89 PolarHBondContact O-N 3.38Å
88	C	89.9	Confident	88.8	Confident	10 Å²	10	62.8 Å²	62.8	7%	0.068	33%	0.326	C	S	.	.			trans	-83	61.4	-178.7	-66.3	0	0	0	0	112.3	D85 S94 I95 C103	D85-C88 WeakPolarHBondContact O-CB 3.3Å; D85-C88 PolarHBondContact O-N 3.33Å; D85-C88 VanDerWaalsContact O-N 3.07Å; C88-S94 WeakPolarHBondContact CB-OG 2.97Å; C88-S94 PolarHBondContact O-OG 3.39Å; C88-I95 VanDerWaalsContact SG-C 3.57Å; C88-C103 WeakPolarHBondContact CA-SG 3.5Å; C88-C103 HydrophobicContact CB-CB 3.77Å; C88-C103 WeakPolarHBondContact CB-SG 3.37Å; C88-C103 VanDerWaalsContact SG-CA 3.51Å; C88-C103 WeakPolarHBondContact SG-CB 3.29Å; C88-C103 CovalentContact SG-SG 2.04Å; C88-C103 PolarHBondContact SG-SG 2.7Å
89	V	85.5	Confident	88.7	Confident	47 Å²	47	64.3 Å²	64.3	29%	0.285	34%	0.343	S	S	.	.			trans	-86.5	-19.6	-169.3	-56.2	0	0	0	0	114.3	S86 D87 R289 H292	S86-V89 WeakPolarHBondContact O-CG1 3.4Å; D87-V89 PolarHBondContact O-N 3.38Å; V89-R289 WeakPolarHBondContact CG1-O 3.39Å; V89-H292 HydrophobicContact CG2-CB 4.15Å
90	Y	81.1	Confident	88.7	Confident	41 Å²	41	63.9 Å²	63.9	16%	0.161	35%	0.346	C	S	.	.	S	Bend	trans	-84.9	-27.4	-171	-63.5	-57.8	0	0	0	114.8	T78 D80 Q116 I275 H292	T78-Y90 HydrophobicContact CG2-CD2 4.01Å; D80-Y90 VanDerWaalsContact OD2-CE2 3.31Å; D80-Y90 WeakPolarHBondContact OD2-CE2 3.33Å; Y90-Q116 VanDerWaalsContact O-CG 3.3Å; Y90-Q116 WeakPolarHBondContact O-CG 3.41Å; Y90-I275 HydrophobicContact CD1-CD1 4.5Å; Y90-I275 HydrophobicContact CE1-CD1 4.15Å; Y90-I275 HydrophobicContact CE1-CG1 4.32Å; Y90-I275 HydrophobicContact CE1-CG2 3.67Å; Y90-H292 HydrophobicContact CE1-CB 4.27Å; Y90-H292 WeakPolarHBondContact CE1-O 3.46Å; Y90-H292 HydrophobicContact CE2-CB 4Å; Y90-H292 VanDerWaalsContact OH-CB 3.22Å; Y90-H292 WeakPolarHBondContact OH-CB 3.29Å; Y90-H292 PolarHBondContact OH-O 3.28Å
91	V	87.9	Confident	89	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.006	34%	0.338	C	S	.	.	S	Bend	trans	-114.8	120.8	174.5	179.4	0	0	0	0	108.3	L77 N93 S94 Y111 Q116	L77-V91 HydrophobicContact CB-CG2 4.06Å; L77-V91 HydrophobicContact CD1-CB 4.09Å; L77-V91 HydrophobicContact CD1-CG1 3.95Å; L77-V91 HydrophobicContact CD1-CG2 4.32Å; V91-N93 PolarHBondContact O-N 3.02Å; V91-S94 WeakPolarHBondContact O-CB 3.34Å; V91-S94 PolarHBondContact O-N 3.18Å; V91-S94 PolarHBondContact O-OG 3.49Å; V91-Y111 HydrophobicContact CG1-CD2 3.84Å; V91-Y111 HydrophobicContact CG1-CE2 3.9Å; V91-Y111 HydrophobicContact CG2-CE2 4.09Å; V91-Q116 WeakPolarHBondContact CA-O 3.26Å; V91-Q116 HydrophobicContact CG2-CG 4.25Å
92	K	89.5	Confident	89	Confident	112 Å²	112	52.8 Å²	52.8	49%	0.487	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-59	139.6	-179.4	-60.7	173.3	-177.7	167	0	109.8	S94 Q116 A117 C118 E145	K92-S94 PolarHBondContact O-N 3.24Å; K92-Q116 PolarHBondContact N-O 3.03Å; K92-A117 HydrophobicContact CB-CB 3.9Å; K92-A117 HydrophobicContact CD-CB 4.3Å; K92-A117 CarbonylContact O-C 3.5Å; K92-A117 WeakPolarHBondContact O-CA 3.43Å; K92-C118 PolarHBondContact O-N 2.92Å; K92-E145 IonicContact NZ-OE1 2.72Å
93	N	91.3	Very high	89.1	Confident	84 Å²	84	52.7 Å²	52.7	45%	0.449	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	18.8	-179.3	-54.9	-11.9	0	0	0	115	V91 P106 C118 E144	V91-N93 PolarHBondContact O-N 3.02Å; N93-P106 VanDerWaalsContact O-CD 3.22Å; N93-P106 WeakPolarHBondContact O-CD 3.38Å; N93-C118 HydrophobicContact CB-CB 4.1Å; N93-C118 PolarHBondContact ND2-O 3.2Å; N93-E144 PolarHBondContact ND2-OE2 3.24Å
94	S	93	Very high	89.3	Confident	10 Å²	10	44.4 Å²	44.4	7%	0.07	26%	0.262	C	S	.	.			trans	-81.7	156	169.4	64.4	0	0	0	0	111.8	C88 V91 K92 I104	C88-S94 WeakPolarHBondContact CB-OG 2.97Å; C88-S94 PolarHBondContact O-OG 3.39Å; V91-S94 WeakPolarHBondContact O-CB 3.34Å; V91-S94 PolarHBondContact O-N 3.18Å; V91-S94 PolarHBondContact O-OG 3.49Å; K92-S94 PolarHBondContact O-N 3.24Å; S94-I104 CarbonylContact C-O 3.39Å; S94-I104 VanDerWaalsContact CA-O 3.3Å; S94-I104 WeakPolarHBondContact CA-O 3.44Å; S94-I104 VanDerWaalsContact CB-O 3.28Å; S94-I104 WeakPolarHBondContact CB-O 3.45Å
95	I	93.5	Very high	89.4	Confident	56 Å²	56	39.3 Å²	39.3	29%	0.287	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	161.9	179.3	64.1	162.6	0	0	0	110.3	D85 C88 C103 I104 P106	D85-I95 WeakPolarHBondContact OD1-CB 3.42Å; C88-I95 VanDerWaalsContact SG-C 3.57Å; I95-C103 WeakPolarHBondContact O-CA 3.08Å; I95-I104 HydrophobicContact CD1-CD1 4.26Å; I95-I104 HydrophobicContact CD1-CG1 4.49Å; I95-I104 HydrophobicContact CG1-CD1 4.13Å; I95-I104 HydrophobicContact CG1-CG1 3.83Å; I95-I104 PolarHBondContact N-O 2.9Å; I95-I104 WeakPolarHBondContact O-CG1 3.25Å; I95-I104 PolarHBondContact O-N 2.88Å; I95-P106 HydrophobicContact CD1-CB 3.86Å; I95-P106 HydrophobicContact CG1-CB 4.12Å; I95-P106 HydrophobicContact CG2-CB 4.34Å; I95-P106 HydrophobicContact CG2-CG 4.35Å
96	C	94	Very high	89.5	Confident	11 Å²	11	36.4 Å²	36.4	7%	0.074	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	118.6	177	-174.1	0	0	0	0	110.9	C82 D85 P98	C82-C96 HydrophobicContact CB-CB 3.67Å; C82-C96 WeakPolarHBondContact CB-SG 3.46Å; C82-C96 PolarHBondContact O-SG 3.39Å; C82-C96 WeakPolarHBondContact SG-CA 3.42Å; C82-C96 WeakPolarHBondContact SG-CB 3.47Å; C82-C96 CovalentContact SG-SG 2.03Å; C82-C96 PolarHBondContact SG-SG 2.97Å; D85-C96 PolarHBondContact OD1-N 3.35Å; C96-P98 WeakPolarHBondContact O-CD 2.93Å
97	H	91.1	Very high	89.7	Confident	33 Å²	33	36.7 Å²	36.7	15%	0.153	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	118.6	177.6	-169.5	-91	0	0	0	110.9	Y63 G99 A100 G101 A102 I104	Y63-H97 AromaticContact CD1-CE1 3.96Å; Y63-H97 AromaticContact CD1-ND1 3.93Å; Y63-H97 AromaticContact CE1-CE1 3.06Å; Y63-H97 WeakPolarHBondContact CE1-CE1 3.47Å; Y63-H97 AromaticContact CE1-CG 4Å; Y63-H97 AromaticContact CE1-ND1 3.24Å; Y63-H97 WeakPolarHBondContact CE1-ND1 3.25Å; Y63-H97 AromaticContact CE1-NE2 3.69Å; Y63-H97 AromaticContact CE2-ND1 3.95Å; Y63-H97 AromaticContact CZ-CE1 3.32Å; Y63-H97 AromaticContact CZ-ND1 3.18Å; Y63-H97 PolarHBondContact OH-CE1 2.83Å; Y63-H97 PolarHBondContact OH-ND1 3.34Å; Y63-H97 VanDerWaalsContact OH-ND1 3.12Å; H97-G99 PolarHBondContact ND1-N 2.75Å; H97-G99 PolarHBondContact O-N 3.46Å; H97-G99 VanDerWaalsContact O-N 3.12Å; H97-A100 HydrophobicContact CB-CB 3.82Å; H97-A100 PolarHBondContact ND1-N 3.4Å; H97-A100 PolarHBondContact O-N 2.79Å; H97-G101 PolarHBondContact O-N 3.14Å; H97-A102 PolarHBondContact N-O 3.06Å; H97-I104 HydrophobicContact CB-CD1 3.71Å; H97-I104 HydrophobicContact CB-CG1 3.87Å; H97-I104 HydrophobicContact CB-CG2 4.05Å
98	P	85.1	Confident	89.7	Confident	124 Å²	124	36.2 Å²	36.2	81%	0.805	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.8	-169.4	24.5	-35.6	0	0	0	114	C96	C96-P98 WeakPolarHBondContact O-CD 2.93Å
99	G	83.8	Confident	89.7	Confident	36 Å²	36	35.9 Å²	35.9	37%	0.371	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-25.8	173.7	0	0	0	0	0	114.5	L24 Y63 H97	L24-G99 VanDerWaalsContact CD1-O 3.27Å; L24-G99 WeakPolarHBondContact CD1-O 3.15Å; Y63-G99 VanDerWaalsContact OH-C 3.27Å; Y63-G99 VanDerWaalsContact OH-CA 3.32Å; Y63-G99 WeakPolarHBondContact OH-CA 3.44Å; H97-G99 PolarHBondContact ND1-N 2.75Å; H97-G99 PolarHBondContact O-N 3.46Å; H97-G99 VanDerWaalsContact O-N 3.12Å
100	A	84.9	Confident	90	Very high	39 Å²	39	34.5 Å²	34.5	32%	0.322	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-34	-176.3	0	0	0	0	0	112	Y63 L76 H97 A102	Y63-A100 HydrophobicContact CD2-CB 3.66Å; Y63-A100 HydrophobicContact CE2-CB 3.37Å; Y63-A100 HydrophobicContact CG-CB 4.49Å; Y63-A100 PolarHBondContact OH-N 2.93Å; L76-A100 HydrophobicContact CD2-CB 4.31Å; H97-A100 HydrophobicContact CB-CB 3.82Å; H97-A100 PolarHBondContact ND1-N 3.4Å; H97-A100 PolarHBondContact O-N 2.79Å; A100-A102 HydrophobicContact CB-CB 4.23Å
101	G	90	Very high	90.5	Very high	21 Å²	21	33.4 Å²	33.4	22%	0.216	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	34.4	-165.1	0	0	0	0	0	111.9	K81 C82 H97	K81-G101 CarbonylContact C-O 3.58Å; K81-G101 WeakPolarHBondContact CA-O 3.12Å; K81-G101 WeakPolarHBondContact CB-O 3.1Å; C82-G101 PolarHBondContact N-O 2.87Å; C82-G101 CarbonylContact O-C 3.54Å; C82-G101 WeakPolarHBondContact O-CA 3.47Å; H97-G101 PolarHBondContact O-N 3.14Å
102	A	90.9	Very high	90.5	Very high	6 Å²	6	33.3 Å²	33.3	5%	0.05	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	154.4	179.6	0	0	0	0	0	109.9	L76 C82 H97 A100	L76-A102 HydrophobicContact CD2-CB 4.14Å; C82-A102 VanDerWaalsContact SG-CA 3.53Å; C82-A102 PolarHBondContact SG-N 3.36Å; H97-A102 PolarHBondContact N-O 3.06Å; A100-A102 HydrophobicContact CB-CB 4.23Å
103	C	94	Very high	90.3	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.02	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	141.9	-173.7	-58.6	0	0	0	0	112.4	L77 T78 C88 I95	L77-C103 HydrophobicContact CB-CB 4.31Å; L77-C103 WeakPolarHBondContact CB-O 3.32Å; L77-C103 PolarHBondContact N-O 3.38Å; T78-C103 HydrophobicContact CG2-CB 4.17Å; T78-C103 WeakPolarHBondContact OG1-CB 3.45Å; T78-C103 PolarHBondContact OG1-SG 3.06Å; T78-C103 VanDerWaalsContact OG1-SG 3.4Å; C88-C103 WeakPolarHBondContact CA-SG 3.5Å; C88-C103 HydrophobicContact CB-CB 3.77Å; C88-C103 WeakPolarHBondContact CB-SG 3.37Å; C88-C103 VanDerWaalsContact SG-CA 3.51Å; C88-C103 WeakPolarHBondContact SG-CB 3.29Å; C88-C103 CovalentContact SG-SG 2.04Å; C88-C103 PolarHBondContact SG-SG 2.7Å; I95-C103 WeakPolarHBondContact O-CA 3.08Å
104	I	94	Very high	89.8	Confident	3 Å²	3	26.9 Å²	26.9	2%	0.015	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	166.8	-178.4	57.6	157.9	0	0	0	110.6	I65 L76 S94 I95 H97	I65-I104 HydrophobicContact CD1-CD1 3.4Å; L76-I104 HydrophobicContact CD2-CG2 3.76Å; S94-I104 CarbonylContact C-O 3.39Å; S94-I104 VanDerWaalsContact CA-O 3.3Å; S94-I104 WeakPolarHBondContact CA-O 3.44Å; S94-I104 VanDerWaalsContact CB-O 3.28Å; S94-I104 WeakPolarHBondContact CB-O 3.45Å; I95-I104 HydrophobicContact CD1-CD1 4.26Å; I95-I104 HydrophobicContact CD1-CG1 4.49Å; I95-I104 HydrophobicContact CG1-CD1 4.13Å; I95-I104 HydrophobicContact CG1-CG1 3.83Å; I95-I104 PolarHBondContact N-O 2.9Å; I95-I104 WeakPolarHBondContact O-CG1 3.25Å; I95-I104 PolarHBondContact O-N 2.88Å; H97-I104 HydrophobicContact CB-CD1 3.71Å; H97-I104 HydrophobicContact CB-CG1 3.87Å; H97-I104 HydrophobicContact CB-CG2 4.05Å
105	C	94.4	Very high	89.3	Confident	4 Å²	4	27.5 Å²	27.5	3%	0.027	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-82.9	133	164.8	-70.2	0	0	0	0	111.1	K74 T109 Y111 C118	K74-C105 VanDerWaalsContact CD-O 3.31Å; K74-C105 WeakPolarHBondContact CD-O 3.4Å; C105-T109 WeakPolarHBondContact CB-OG1 3.28Å; C105-Y111 VanDerWaalsContact SG-CA 3.53Å; C105-Y111 VanDerWaalsContact SG-CB 3.56Å; C105-Y111 PolarHBondContact SG-N 3.35Å; C105-C118 WeakPolarHBondContact CA-SG 3.45Å; C105-C118 HydrophobicContact CB-CB 3.72Å; C105-C118 WeakPolarHBondContact CB-SG 3.31Å; C105-C118 WeakPolarHBondContact SG-CB 3.45Å; C105-C118 CovalentContact SG-SG 2.04Å; C105-C118 PolarHBondContact SG-SG 2.83Å
106	P	92.1	Very high	89	Confident	33 Å²	33	25.2 Å²	25.2	21%	0.214	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-60.7	162.8	178	23.6	-32.5	0	0	0	112.6	K74 N93 I95 T109	K74-P106 PolarHBondContact NZ-O 3.27Å; N93-P106 VanDerWaalsContact O-CD 3.22Å; N93-P106 WeakPolarHBondContact O-CD 3.38Å; I95-P106 HydrophobicContact CD1-CB 3.86Å; I95-P106 HydrophobicContact CG1-CB 4.12Å; I95-P106 HydrophobicContact CG2-CB 4.34Å; I95-P106 HydrophobicContact CG2-CG 4.35Å; P106-T109 VanDerWaalsContact CD-OG1 3.22Å; P106-T109 WeakPolarHBondContact CD-OG1 3.35Å; P106-T109 HydrophobicContact CG-CG2 4.05Å; P106-T109 WeakPolarHBondContact CG-OG1 3.41Å; P106-T109 PolarHBondContact O-N 2.84Å; P106-T109 VanDerWaalsContact O-N 3.09Å; P106-T109 PolarHBondContact O-OG1 2.79Å
107	S	89.4	Confident	88.8	Confident	66 Å²	66	24.7 Å²	24.7	46%	0.462	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	142.2	177.4	-57.8	0	0	0	0	112.2	E67 T109	E67-S107 WeakPolarHBondContact OE1-CA 3.35Å; S107-T109 PolarHBondContact O-N 2.81Å
108	G	87.9	Confident	88.9	Confident	20 Å²	20	23.1 Å²	23.1	21%	0.206	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	-3.1	-174.4	0	0	0	0	0	115.1	E67 Q121	E67-G108 PolarHBondContact OE1-N 3.06Å; G108-Q121 PolarHBondContact O-N 3.12Å
109	T	91.4	Very high	89.3	Confident	4 Å²	4	17.6 Å²	17.6	3%	0.025	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	149.2	176.6	73.2	0	0	0	0	113.3	K74 C105 P106 S107 R119 F120	K74-T109 PolarHBondContact NZ-O 2.78Å; C105-T109 WeakPolarHBondContact CB-OG1 3.28Å; P106-T109 VanDerWaalsContact CD-OG1 3.22Å; P106-T109 WeakPolarHBondContact CD-OG1 3.35Å; P106-T109 HydrophobicContact CG-CG2 4.05Å; P106-T109 WeakPolarHBondContact CG-OG1 3.41Å; P106-T109 PolarHBondContact O-N 2.84Å; P106-T109 VanDerWaalsContact O-N 3.09Å; P106-T109 PolarHBondContact O-OG1 2.79Å; S107-T109 PolarHBondContact O-N 2.81Å; T109-R119 CarbonylContact C-O 3.55Å; T109-R119 WeakPolarHBondContact CA-O 3.44Å; T109-R119 WeakPolarHBondContact CB-O 3.39Å; T109-F120 HydrophobicContact CG2-CD1 3.72Å; T109-F120 HydrophobicContact CG2-CD2 4.49Å; T109-F120 HydrophobicContact CG2-CE1 3.79Å; T109-F120 HydrophobicContact CG2-CG 4.09Å; T109-F120 HydrophobicContact CG2-CZ 4.22Å
110	I	90.4	Very high	89.6	Confident	18 Å²	18	21 Å²	21	9%	0.092	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.7	175.9	55.1	172.6	0	0	0	110.9	I112 C118 R119 Q121 L139 K169	I110-I112 HydrophobicContact CD1-CD1 3.93Å; I110-I112 HydrophobicContact CG1-CD1 3.9Å; I110-C118 WeakPolarHBondContact O-CA 3.27Å; I110-R119 PolarHBondContact N-O 3.31Å; I110-R119 PolarHBondContact O-N 2.84Å; I110-Q121 HydrophobicContact CD1-CB 4.33Å; I110-Q121 HydrophobicContact CD1-CG 4.43Å; I110-Q121 HydrophobicContact CG1-CB 4.19Å; I110-Q121 HydrophobicContact CG2-CB 4.03Å; I110-Q121 HydrophobicContact CG2-CG 4.38Å; I110-L139 HydrophobicContact CD1-CB 3.67Å; I110-L139 HydrophobicContact CD1-CD1 4.13Å; I110-L139 HydrophobicContact CG2-CD1 4.24Å; I110-K169 HydrophobicContact CD1-CB 4.15Å; I110-K169 HydrophobicContact CD1-CD 4.05Å
111	Y	91.3	Very high	89.8	Confident	17 Å²	17	21.7 Å²	21.7	7%	0.067	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	128.6	173.5	174	-123.6	0	0	0	110.9	L77 V91 C105 P113 Q116 K169 L269 Y271	L77-Y111 HydrophobicContact CD2-CD1 3.93Å; L77-Y111 HydrophobicContact CD2-CD2 3.72Å; L77-Y111 HydrophobicContact CD2-CE1 4.42Å; L77-Y111 HydrophobicContact CD2-CE2 4.24Å; L77-Y111 HydrophobicContact CD2-CG 3.55Å; V91-Y111 HydrophobicContact CG1-CD2 3.84Å; V91-Y111 HydrophobicContact CG1-CE2 3.9Å; V91-Y111 HydrophobicContact CG2-CE2 4.09Å; C105-Y111 VanDerWaalsContact SG-CA 3.53Å; C105-Y111 VanDerWaalsContact SG-CB 3.56Å; C105-Y111 PolarHBondContact SG-N 3.35Å; Y111-P113 HydrophobicContact CD1-CG 4.24Å; Y111-P113 HydrophobicContact CE1-CB 4.23Å; Y111-P113 HydrophobicContact CE1-CG 3.83Å; Y111-Q116 PolarHBondContact OH-OE1 2.87Å; Y111-K169 WeakPolarHBondContact O-CD 2.99Å; Y111-K169 VanDerWaalsContact O-CE 3.22Å; Y111-K169 WeakPolarHBondContact O-CE 3.28Å; Y111-K169 PolarHBondContact O-NZ 3.34Å; Y111-L269 HydrophobicContact CD1-CD2 4.31Å; Y111-L269 HydrophobicContact CE1-CD2 3.62Å; Y111-Y271 PolarHBondContact OH-OH 2.92Å
112	I	89.6	Confident	89.6	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	103.4	177.2	-51.2	-54.4	0	0	0	108.1	I110 E114 E115 Q116 A117 R119 Y141 K169	I110-I112 HydrophobicContact CD1-CD1 3.93Å; I110-I112 HydrophobicContact CG1-CD1 3.9Å; I112-E114 HydrophobicContact CG2-CG 3.9Å; I112-E114 WeakPolarHBondContact CG2-OE1 3.27Å; I112-E114 PolarHBondContact O-N 3.3Å; I112-E115 HydrophobicContact CB-CB 4.22Å; I112-E115 HydrophobicContact CG2-CB 3.88Å; I112-E115 HydrophobicContact CG2-CG 3.79Å; I112-E115 PolarHBondContact O-N 3.31Å; I112-Q116 PolarHBondContact O-N 3.29Å; I112-A117 PolarHBondContact N-O 2.04Å; I112-A117 PolarHBondContact O-N 2.77Å; I112-R119 HydrophobicContact CG1-CB 3.92Å; I112-R119 HydrophobicContact CG1-CG 3.64Å; I112-Y141 HydrophobicContact CD1-CD1 3.52Å; I112-Y141 HydrophobicContact CD1-CD2 4.34Å; I112-Y141 HydrophobicContact CD1-CE1 3.5Å; I112-Y141 HydrophobicContact CD1-CE2 4.33Å; I112-Y141 HydrophobicContact CD1-CG 3.94Å; I112-Y141 HydrophobicContact CG1-CD1 4.31Å; I112-Y141 HydrophobicContact CG1-CD2 4.32Å; I112-Y141 HydrophobicContact CG1-CE1 4.08Å; I112-Y141 HydrophobicContact CG1-CE2 4.09Å; I112-Y141 HydrophobicContact CG1-CG 4.41Å; I112-Y141 HydrophobicContact CG2-CE1 4.3Å; I112-K169 HydrophobicContact CD1-CB 3.77Å; I112-K169 HydrophobicContact CD1-CD 3.99Å; I112-K169 HydrophobicContact CD1-CG 3.97Å
113	P	85	Confident	89	Confident	14 Å²	14	25.2 Å²	25.2	9%	0.091	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-57.3	-46.5	-177	-25	33.6	0	0	0	113.3	Y111 E115 Q116 L219	Y111-P113 HydrophobicContact CD1-CG 4.24Å; Y111-P113 HydrophobicContact CE1-CB 4.23Å; Y111-P113 HydrophobicContact CE1-CG 3.83Å; P113-E115 PolarHBondContact O-N 2.91Å; P113-Q116 PolarHBondContact O-N 3.09Å; P113-Q116 VanDerWaalsContact O-N 3.08Å; P113-L219 HydrophobicContact CB-CD1 4.18Å
114	E	79.7	Confident	87.9	Confident	47 Å²	47	30.2 Å²	30.2	22%	0.22	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-67.2	-18.4	-175.9	65.7	-85.6	-159.7	0	0	114.3	I112 V175 L219	I112-E114 HydrophobicContact CG2-CG 3.9Å; I112-E114 WeakPolarHBondContact CG2-OE1 3.27Å; I112-E114 PolarHBondContact O-N 3.3Å; E114-V175 HydrophobicContact CB-CG1 4.17Å; E114-V175 HydrophobicContact CG-CG1 4.02Å; E114-L219 HydrophobicContact CB-CD1 4.29Å; E114-L219 HydrophobicContact CB-CD2 4.13Å
115	E	83.2	Confident	86.5	Confident	22 Å²	22	34.2 Å²	34.2	10%	0.103	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-105.2	-8.6	174.6	-64.1	-169.6	-176.7	0	0	113.4	I112 P113 A117 R119 Y141 R167	I112-E115 HydrophobicContact CB-CB 4.22Å; I112-E115 HydrophobicContact CG2-CB 3.88Å; I112-E115 HydrophobicContact CG2-CG 3.79Å; I112-E115 PolarHBondContact O-N 3.31Å; P113-E115 PolarHBondContact O-N 2.91Å; E115-A117 HydrophobicContact CB-CB 4.04Å; E115-A117 PolarHBondContact O-N 3.39Å; E115-R119 IonicContact OE2-CZ 3.47Å; E115-R119 IonicContact OE2-NE 3.99Å; E115-R119 PolarHBondContact OE2-NE 2.94Å; E115-R119 IonicContact OE2-NH2 3.75Å; E115-R119 PolarHBondContact OE2-NH2 2.91Å; E115-Y141 PolarHBondContact OE1-OH 3.13Å; E115-R167 WeakPolarHBondContact OE1-CD 3.07Å; E115-R167 IonicContact OE1-CZ 2.69Å; E115-R167 IonicContact OE1-NE 3.82Å; E115-R167 IonicContact OE1-NH1 3.02Å; E115-R167 PolarHBondContact OE1-NH1 3.27Å
116	Q	87.2	Confident	85.3	Confident	9 Å²	9	40.4 Å²	40.4	4%	0.042	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	48.4	-169	-163.4	66.3	-20.2	0	0	112.4	Y90 V91 K92 Y111 I112 P113 S236 Y271 E273	Y90-Q116 VanDerWaalsContact O-CG 3.3Å; Y90-Q116 WeakPolarHBondContact O-CG 3.41Å; V91-Q116 WeakPolarHBondContact CA-O 3.26Å; V91-Q116 HydrophobicContact CG2-CG 4.25Å; K92-Q116 PolarHBondContact N-O 3.03Å; Y111-Q116 PolarHBondContact OH-OE1 2.87Å; I112-Q116 PolarHBondContact O-N 3.29Å; P113-Q116 PolarHBondContact O-N 3.09Å; P113-Q116 VanDerWaalsContact O-N 3.08Å; Q116-S236 WeakPolarHBondContact CB-OG 3.39Å; Q116-Y271 PolarHBondContact OE1-OH 2.85Å; Q116-Y271 VanDerWaalsContact OE1-OH 3.11Å; Q116-E273 PolarHBondContact NE2-OE2 3Å; Q116-E273 VanDerWaalsContact NE2-OE2 3.15Å
117	A	89.8	Confident	84.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	149.1	-170	0	0	0	0	0	113.3	K92 I112 E115 R119	K92-A117 HydrophobicContact CB-CB 3.9Å; K92-A117 HydrophobicContact CD-CB 4.3Å; K92-A117 CarbonylContact O-C 3.5Å; K92-A117 WeakPolarHBondContact O-CA 3.43Å; I112-A117 PolarHBondContact N-O 2.04Å; I112-A117 PolarHBondContact O-N 2.77Å; E115-A117 HydrophobicContact CB-CB 4.04Å; E115-A117 PolarHBondContact O-N 3.39Å; A117-R119 HydrophobicContact CB-CG 4.47Å
118	C	93.4	Very high	84.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	124	162.5	-58.9	0	0	0	0	109.4	K92 N93 C105 I110	K92-C118 PolarHBondContact O-N 2.92Å; N93-C118 HydrophobicContact CB-CB 4.1Å; N93-C118 PolarHBondContact ND2-O 3.2Å; C105-C118 WeakPolarHBondContact CA-SG 3.45Å; C105-C118 HydrophobicContact CB-CB 3.72Å; C105-C118 WeakPolarHBondContact CB-SG 3.31Å; C105-C118 WeakPolarHBondContact SG-CB 3.45Å; C105-C118 CovalentContact SG-SG 2.04Å; C105-C118 PolarHBondContact SG-SG 2.83Å; I110-C118 WeakPolarHBondContact O-CA 3.27Å
119	R	92.7	Very high	83.9	Confident	8 Å²	8	42.9 Å²	42.9	3%	0.03	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.7	-178.9	-62.8	-62.9	-166.8	-163.3	-1.9	111	T109 I110 I112 E115 A117 Q121 Y141 E144 E145	T109-R119 CarbonylContact C-O 3.55Å; T109-R119 WeakPolarHBondContact CA-O 3.44Å; T109-R119 WeakPolarHBondContact CB-O 3.39Å; I110-R119 PolarHBondContact N-O 3.31Å; I110-R119 PolarHBondContact O-N 2.84Å; I112-R119 HydrophobicContact CG1-CB 3.92Å; I112-R119 HydrophobicContact CG1-CG 3.64Å; E115-R119 IonicContact OE2-CZ 3.47Å; E115-R119 IonicContact OE2-NE 3.99Å; E115-R119 PolarHBondContact OE2-NE 2.94Å; E115-R119 IonicContact OE2-NH2 3.75Å; E115-R119 PolarHBondContact OE2-NH2 2.91Å; A117-R119 HydrophobicContact CB-CG 4.47Å; R119-Q121 PolarHBondContact O-N 2.68Å; R119-Y141 HydrophobicContact CB-CD2 3.53Å; R119-Y141 HydrophobicContact CB-CE2 4.22Å; R119-Y141 HydrophobicContact CB-CG 4.06Å; R119-Y141 HydrophobicContact CG-CD2 3.72Å; R119-Y141 HydrophobicContact CG-CE2 3.9Å; R119-E144 IonicContact NH1-OE2 3.91Å; R119-E145 IonicContact CZ-OE1 2.77Å; R119-E145 IonicContact NH1-OE1 3.45Å; R119-E145 IonicContact NH2-OE1 2.63Å; R119-E145 PolarHBondContact NH2-OE1 3.23Å
120	F	90.1	Very high	83.6	Confident	106 Å²	106	42.8 Å²	42.8	47%	0.465	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	120.3	176.6	-74	-77.5	0	0	0	111.2	T109 Y141 R142 E144	T109-F120 HydrophobicContact CG2-CD1 3.72Å; T109-F120 HydrophobicContact CG2-CD2 4.49Å; T109-F120 HydrophobicContact CG2-CE1 3.79Å; T109-F120 HydrophobicContact CG2-CG 4.09Å; T109-F120 HydrophobicContact CG2-CZ 4.22Å; F120-Y141 CarbonylContact O-C 3.54Å; F120-Y141 WeakPolarHBondContact O-CA 3.28Å; F120-Y141 WeakPolarHBondContact O-CB 3.33Å; F120-R142 PolarHBondContact O-N 3.49Å; F120-E144 WeakPolarHBondContact CD2-OE1 3.29Å; F120-E144 WeakPolarHBondContact CE2-OE1 3.36Å
121	Q	88.6	Confident	83.3	Confident	55 Å²	55	44.4 Å²	44.4	26%	0.257	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-74.9	138.5	173.5	-178.7	-179.7	-11.6	0	0	109.3	G108 I110 R119 K123	G108-Q121 PolarHBondContact O-N 3.12Å; I110-Q121 HydrophobicContact CD1-CB 4.33Å; I110-Q121 HydrophobicContact CD1-CG 4.43Å; I110-Q121 HydrophobicContact CG1-CB 4.19Å; I110-Q121 HydrophobicContact CG2-CB 4.03Å; I110-Q121 HydrophobicContact CG2-CG 4.38Å; R119-Q121 PolarHBondContact O-N 2.68Å; Q121-K123 HydrophobicContact CG-CG 4.4Å
122	I	86.9	Confident	83	Confident	32 Å²	32	47.5 Å²	47.5	16%	0.164	24%	0.241	C	C	.	.			trans	-98.7	112.2	174.8	-64.5	168.4	0	0	0	107.3	T124 C140 R142 Y166	I122-T124 VanDerWaalsContact CG2-O 3.25Å; I122-T124 WeakPolarHBondContact CG2-O 3.39Å; I122-C140 HydrophobicContact CB-CB 4.41Å; I122-C140 PolarHBondContact N-O 2.98Å; I122-R142 HydrophobicContact CD1-CB 4.2Å; I122-Y166 HydrophobicContact CD1-CD1 3.1Å; I122-Y166 HydrophobicContact CD1-CE1 3.33Å; I122-Y166 HydrophobicContact CD1-CG 3.96Å
123	K	78.5	Confident	82.9	Confident	69 Å²	69	47.5 Å²	47.5	30%	0.3	24%	0.241	S	C	.	.			trans	-92.8	-20.4	179.4	-60.2	-176	-180	179.6	0	112.8	E67 D69 Q121 F125	E67-K123 IonicContact OE2-NZ 3.38Å; E67-K123 PolarHBondContact OE2-NZ 3.06Å; D69-K123 VanDerWaalsContact OD2-CD 3.23Å; D69-K123 WeakPolarHBondContact OD2-CD 3.37Å; D69-K123 WeakPolarHBondContact OD2-CE 3.43Å; D69-K123 IonicContact OD2-NZ 2.71Å; D69-K123 PolarHBondContact OD2-NZ 3.05Å; Q121-K123 HydrophobicContact CG-CG 4.4Å; K123-F125 WeakPolarHBondContact O-CE2 3.37Å
124	T	70.6	Confident	82.9	Confident	108 Å²	108	51.4 Å²	51.4	66%	0.663	26%	0.258	S	S	*	.	S	Bend	trans	-102.9	125.3	-179.6	44.9	0	0	0	0	111.4	I122 T126	I122-T124 VanDerWaalsContact CG2-O 3.25Å; I122-T124 WeakPolarHBondContact CG2-O 3.39Å; T124-T126 PolarHBondContact O-N 3.48Å
125	F	64.2	Low	83.2	Confident	86 Å²	86	58.1 Å²	58.1	38%	0.377	28%	0.281	S	S	.	.			trans	-97.7	98.4	-173.3	-50.1	-79.9	0	0	0	110.6	K123 C130 D131 Q134	K123-F125 WeakPolarHBondContact O-CE2 3.37Å; F125-C130 HydrophobicContact CD1-CB 4.06Å; F125-D131 WeakPolarHBondContact CB-OD1 3.47Å; F125-Q134 HydrophobicContact CE1-CB 4.43Å; F125-Q134 VanDerWaalsContact CE1-OE1 3.27Å
126	T	68.4	Low	83.2	Confident	135 Å²	135	61.8 Å²	61.8	83%	0.828	30%	0.297	S	S	*	.			trans	-116.8	9.8	169.5	56.5	0	0	0	0	112	T124	T124-T126 PolarHBondContact O-N 3.48Å
127	N	74.6	Confident	83.1	Confident	47 Å²	47	68.9 Å²	68.9	25%	0.251	33%	0.33	S	S	.	.	S	Bend	trans	-139.1	122	-174.1	-169.1	-49.5	0	0	0	111	Y129 C130 D131 Y166	N127-Y129 PolarHBondContact O-N 3.33Å; N127-Y129 VanDerWaalsContact O-N 3.07Å; N127-Y129 WeakPolarHBondContact OD1-CB 3.23Å; N127-Y129 PolarHBondContact OD1-N 2.91Å; N127-C130 WeakPolarHBondContact O-CA 3.27Å; N127-C130 WeakPolarHBondContact O-CB 2.95Å; N127-C130 PolarHBondContact O-N 2.97Å; N127-D131 PolarHBondContact O-N 3.44Å; N127-D131 VanDerWaalsContact O-N 3.17Å; N127-Y166 HydrophobicContact CB-CD2 4.41Å; N127-Y166 HydrophobicContact CB-CE2 4.32Å; N127-Y166 WeakPolarHBondContact ND2-CE2 3.5Å
128	D	82	Confident	82.9	Confident	89 Å²	89	69.1 Å²	69.1	48%	0.476	33%	0.332	S	S	.	.	H	α-helix	trans	-52.2	-28	177.4	172.8	53.7	0	0	0	113.6	K132	D128-K132 WeakPolarHBondContact O-CB 3.06Å; D128-K132 WeakPolarHBondContact O-CD 3.26Å; D128-K132 VanDerWaalsContact O-CG 3.23Å; D128-K132 WeakPolarHBondContact O-CG 3.21Å; D128-K132 PolarHBondContact O-N 2.88Å; D128-K132 WeakPolarHBondContact OD1-CE 3.34Å; D128-K132 IonicContact OD1-NZ 3.54Å; D128-K132 PolarHBondContact OD1-NZ 2.87Å; D128-K132 VanDerWaalsContact OD2-CE 3.29Å; D128-K132 WeakPolarHBondContact OD2-CE 3.43Å; D128-K132 IonicContact OD2-NZ 3.84Å; D128-K132 PolarHBondContact OD2-NZ 2.84Å
129	Y	83.9	Confident	82.7	Confident	35 Å²	35	72.6 Å²	72.6	14%	0.137	35%	0.35	C	S	.	.	H	α-helix	trans	-63.8	-43.6	171	-179.4	-87.5	0	0	0	112.7	N127 C133 I164 C168 F214	N127-Y129 PolarHBondContact O-N 3.33Å; N127-Y129 VanDerWaalsContact O-N 3.07Å; N127-Y129 WeakPolarHBondContact OD1-CB 3.23Å; N127-Y129 PolarHBondContact OD1-N 2.91Å; Y129-C133 WeakPolarHBondContact O-CB 3.37Å; Y129-C133 PolarHBondContact O-N 3.26Å; Y129-I164 HydrophobicContact CD1-CG2 4.46Å; Y129-I164 HydrophobicContact CD2-CD1 4.15Å; Y129-I164 HydrophobicContact CG-CD1 4.4Å; Y129-I164 HydrophobicContact CG-CG2 4.2Å; Y129-C168 HydrophobicContact CE1-CB 4.3Å; Y129-C168 PolarHBondContact OH-N 3.32Å; Y129-F214 HydrophobicContact CD2-CE1 4.06Å; Y129-F214 AromaticContact CD2-CZ 3.95Å; Y129-F214 HydrophobicContact CD2-CZ 3.95Å; Y129-F214 HydrophobicContact CE1-CE1 4.37Å; Y129-F214 AromaticContact CE2-CE1 3.61Å; Y129-F214 HydrophobicContact CE2-CE1 3.61Å; Y129-F214 AromaticContact CE2-CZ 3.86Å; Y129-F214 HydrophobicContact CE2-CZ 3.86Å; Y129-F214 AromaticContact CZ-CE1 3.78Å
130	C	86.1	Confident	82.6	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.014	35%	0.35	C	S	.	.	H	α-helix	trans	-71.8	-37.5	178.3	-70.7	0	0	0	0	111.4	F125 N127 C133 Q134 C140	F125-C130 HydrophobicContact CD1-CB 4.06Å; N127-C130 WeakPolarHBondContact O-CA 3.27Å; N127-C130 WeakPolarHBondContact O-CB 2.95Å; N127-C130 PolarHBondContact O-N 2.97Å; C130-C133 WeakPolarHBondContact O-CB 3.31Å; C130-C133 PolarHBondContact O-N 3.47Å; C130-Q134 PolarHBondContact O-N 3.3Å; C130-C140 WeakPolarHBondContact CA-SG 3.24Å; C130-C140 HydrophobicContact CB-CB 3.55Å; C130-C140 WeakPolarHBondContact CB-SG 3.43Å; C130-C140 WeakPolarHBondContact SG-CB 3.46Å; C130-C140 CovalentContact SG-SG 2.04Å; C130-C140 PolarHBondContact SG-SG 3.32Å
131	D	83.6	Confident	82.6	Confident	52 Å²	52	67.6 Å²	67.6	28%	0.278	33%	0.329	S	S	.	.	H	α-helix	trans	-59.6	-47.1	172.6	-67.5	-49.3	0	0	0	111.2	F125 N127 Q134 R135	F125-D131 WeakPolarHBondContact CB-OD1 3.47Å; N127-D131 PolarHBondContact O-N 3.44Å; N127-D131 VanDerWaalsContact O-N 3.17Å; D131-Q134 PolarHBondContact O-N 3.3Å; D131-R135 WeakPolarHBondContact O-CG 3.39Å; D131-R135 PolarHBondContact O-N 2.91Å
132	K	84.6	Confident	82.5	Confident	82 Å²	82	70.3 Å²	70.3	36%	0.357	34%	0.336	S	S	.	.	H	α-helix	trans	-60.5	-46.9	174.5	-75	165.9	178.2	165.2	0	111.4	D128 Q134 R135 F136 F214	D128-K132 WeakPolarHBondContact O-CB 3.06Å; D128-K132 WeakPolarHBondContact O-CD 3.26Å; D128-K132 VanDerWaalsContact O-CG 3.23Å; D128-K132 WeakPolarHBondContact O-CG 3.21Å; D128-K132 PolarHBondContact O-N 2.88Å; D128-K132 WeakPolarHBondContact OD1-CE 3.34Å; D128-K132 IonicContact OD1-NZ 3.54Å; D128-K132 PolarHBondContact OD1-NZ 2.87Å; D128-K132 VanDerWaalsContact OD2-CE 3.29Å; D128-K132 WeakPolarHBondContact OD2-CE 3.43Å; D128-K132 IonicContact OD2-NZ 3.84Å; D128-K132 PolarHBondContact OD2-NZ 2.84Å; K132-Q134 VanDerWaalsContact C-N 3.31Å; K132-Q134 PolarHBondContact O-N 3.25Å; K132-R135 PolarHBondContact O-N 3.47Å; K132-F136 VanDerWaalsContact O-CD2 3.28Å; K132-F136 WeakPolarHBondContact O-CD2 3.48Å; K132-F136 PolarHBondContact O-N 3.35Å; K132-F214 HydrophobicContact CB-CD2 4.38Å; K132-F214 HydrophobicContact CB-CE1 4.41Å; K132-F214 HydrophobicContact CB-CE2 3.64Å; K132-F214 HydrophobicContact CB-CZ 3.65Å; K132-F214 HydrophobicContact CD-CE2 4.32Å; K132-F214 HydrophobicContact CG-CE2 4.46Å
133	C	86.9	Confident	82	Confident	0 Å²	0	69 Å²	69	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-53.2	-47.1	175.6	175.8	0	0	0	0	112.3	Y129 C130 F136 G138 C168 F214	Y129-C133 WeakPolarHBondContact O-CB 3.37Å; Y129-C133 PolarHBondContact O-N 3.26Å; C130-C133 WeakPolarHBondContact O-CB 3.31Å; C130-C133 PolarHBondContact O-N 3.47Å; C133-F136 PolarHBondContact O-N 2.69Å; C133-G138 WeakPolarHBondContact O-CA 3.11Å; C133-G138 PolarHBondContact O-N 3.24Å; C133-G138 VanDerWaalsContact SG-C 3.56Å; C133-C168 WeakPolarHBondContact CA-SG 3.49Å; C133-C168 HydrophobicContact CB-CB 3.68Å; C133-C168 WeakPolarHBondContact CB-SG 3.32Å; C133-C168 WeakPolarHBondContact SG-CA 3.25Å; C133-C168 WeakPolarHBondContact SG-CB 3.43Å; C133-C168 CovalentContact SG-SG 2.03Å; C133-C168 PolarHBondContact SG-SG 2.93Å; C133-F214 HydrophobicContact CB-CD1 4.34Å; C133-F214 HydrophobicContact CB-CE1 4.24Å
134	Q	85.9	Confident	81.4	Confident	96 Å²	96	68.6 Å²	68.6	45%	0.449	33%	0.329	S	S	.	.	H	α-helix	trans	-68.1	-35	-179.3	-167	-175.6	14.6	0	0	112.8	F125 C130 D131 K132 F136 H137	F125-Q134 HydrophobicContact CE1-CB 4.43Å; F125-Q134 VanDerWaalsContact CE1-OE1 3.27Å; C130-Q134 PolarHBondContact O-N 3.3Å; D131-Q134 PolarHBondContact O-N 3.3Å; K132-Q134 VanDerWaalsContact C-N 3.31Å; K132-Q134 PolarHBondContact O-N 3.25Å; Q134-F136 PolarHBondContact O-N 3.17Å; Q134-H137 WeakPolarHBondContact O-CA 3.02Å; Q134-H137 PolarHBondContact O-N 2.96Å
135	R	85.7	Confident	80.9	Confident	187 Å²	187	68.2 Å²	68.2	71%	0.706	32%	0.32	S	S	*	.	H	α-helix	trans	-61.3	-23.6	173.4	-71.7	175	-167.4	-176.5	6.7	113.4	D131 K132 H137	D131-R135 WeakPolarHBondContact O-CG 3.39Å; D131-R135 PolarHBondContact O-N 2.91Å; K132-R135 PolarHBondContact O-N 3.47Å; R135-H137 VanDerWaalsContact C-N 3.34Å
136	F	83.4	Confident	80.2	Confident	100 Å²	100	65 Å²	65	44%	0.439	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	24.4	171.5	-68.3	-80.3	0	0	0	112.8	K132 C133 Q134 G138 F214	K132-F136 VanDerWaalsContact O-CD2 3.28Å; K132-F136 WeakPolarHBondContact O-CD2 3.48Å; K132-F136 PolarHBondContact O-N 3.35Å; C133-F136 PolarHBondContact O-N 2.69Å; Q134-F136 PolarHBondContact O-N 3.17Å; F136-G138 PolarHBondContact O-N 2.89Å; F136-G138 VanDerWaalsContact O-N 3.13Å; F136-F214 HydrophobicContact CB-CB 4.02Å; F136-F214 HydrophobicContact CD2-CB 3.6Å; F136-F214 AromaticContact CD2-CD2 3.9Å; F136-F214 HydrophobicContact CD2-CD2 3.9Å; F136-F214 AromaticContact CD2-CG 3.96Å; F136-F214 HydrophobicContact CD2-CG 3.96Å; F136-F214 HydrophobicContact CE2-CB 4.24Å; F136-F214 AromaticContact CE2-CD2 3.91Å; F136-F214 HydrophobicContact CE2-CD2 3.91Å; F136-F214 HydrophobicContact CE2-CG 4.42Å; F136-F214 HydrophobicContact CG-CB 3.86Å
137	H	85	Confident	79	Confident	158 Å²	158	62.7 Å²	62.7	73%	0.731	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	23.2	-177.5	-54.7	-77.7	0	0	0	114.6	Q134 R135 P171	Q134-H137 WeakPolarHBondContact O-CA 3.02Å; Q134-H137 PolarHBondContact O-N 2.96Å; R135-H137 VanDerWaalsContact C-N 3.34Å; H137-P171 HydrophobicContact CB-CG 4.24Å
138	G	86.5	Confident	77.2	Confident	4 Å²	4	62.8 Å²	62.8	4%	0.041	30%	0.299	C	S	.	.			trans	-87.8	163.3	174.4	0	0	0	0	0	113.4	C133 F136 K169	C133-G138 WeakPolarHBondContact O-CA 3.11Å; C133-G138 PolarHBondContact O-N 3.24Å; C133-G138 VanDerWaalsContact SG-C 3.56Å; F136-G138 PolarHBondContact O-N 2.89Å; F136-G138 VanDerWaalsContact O-N 3.13Å; G138-K169 CarbonylContact C-O 3.55Å; G138-K169 WeakPolarHBondContact CA-O 3.39Å
139	L	88.9	Confident	75.3	Confident	73 Å²	73	61.9 Å²	61.9	38%	0.382	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.3	173.4	-58.5	177.9	0	0	0	109.9	I110 K169	I110-L139 HydrophobicContact CD1-CB 3.67Å; I110-L139 HydrophobicContact CD1-CD1 4.13Å; I110-L139 HydrophobicContact CG2-CD1 4.24Å; L139-K169 HydrophobicContact CB-CB 4.32Å; L139-K169 PolarHBondContact N-O 3.07Å; L139-K169 PolarHBondContact O-N 3.24Å
140	C	90.8	Very high	73.3	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.034	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	136.7	177.2	-151.1	0	0	0	0	110.8	I122 C130 R167	I122-C140 HydrophobicContact CB-CB 4.41Å; I122-C140 PolarHBondContact N-O 2.98Å; C130-C140 WeakPolarHBondContact CA-SG 3.24Å; C130-C140 HydrophobicContact CB-CB 3.55Å; C130-C140 WeakPolarHBondContact CB-SG 3.43Å; C130-C140 WeakPolarHBondContact SG-CB 3.46Å; C130-C140 CovalentContact SG-SG 2.04Å; C130-C140 PolarHBondContact SG-SG 3.32Å; C140-R167 WeakPolarHBondContact CA-O 3.25Å
141	Y	90.1	Very high	71	Confident	4 Å²	4	71 Å²	71	2%	0.016	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	157.5	177.1	68	-90.7	0	0	0	112.5	I112 E115 R119 F120 Y166 R167 K169	I112-Y141 HydrophobicContact CD1-CD1 3.52Å; I112-Y141 HydrophobicContact CD1-CD2 4.34Å; I112-Y141 HydrophobicContact CD1-CE1 3.5Å; I112-Y141 HydrophobicContact CD1-CE2 4.33Å; I112-Y141 HydrophobicContact CD1-CG 3.94Å; I112-Y141 HydrophobicContact CG1-CD1 4.31Å; I112-Y141 HydrophobicContact CG1-CD2 4.32Å; I112-Y141 HydrophobicContact CG1-CE1 4.08Å; I112-Y141 HydrophobicContact CG1-CE2 4.09Å; I112-Y141 HydrophobicContact CG1-CG 4.41Å; I112-Y141 HydrophobicContact CG2-CE1 4.3Å; E115-Y141 PolarHBondContact OE1-OH 3.13Å; R119-Y141 HydrophobicContact CB-CD2 3.53Å; R119-Y141 HydrophobicContact CB-CE2 4.22Å; R119-Y141 HydrophobicContact CB-CG 4.06Å; R119-Y141 HydrophobicContact CG-CD2 3.72Å; R119-Y141 HydrophobicContact CG-CE2 3.9Å; F120-Y141 CarbonylContact O-C 3.54Å; F120-Y141 WeakPolarHBondContact O-CA 3.28Å; F120-Y141 WeakPolarHBondContact O-CB 3.33Å; Y141-Y166 CarbonylContact O-C 3.58Å; Y141-Y166 VanDerWaalsContact O-CA 3.27Å; Y141-Y166 WeakPolarHBondContact O-CA 3.45Å; Y141-R167 HydrophobicContact CD1-CB 4.17Å; Y141-R167 WeakPolarHBondContact CD1-O 3.16Å; Y141-R167 HydrophobicContact CD2-CB 4.14Å; Y141-R167 HydrophobicContact CE1-CB 3.61Å; Y141-R167 HydrophobicContact CE2-CB 3.57Å; Y141-R167 HydrophobicContact CE2-CG 4.3Å; Y141-R167 HydrophobicContact CG-CB 4.43Å; Y141-R167 PolarHBondContact N-O 2.7Å; Y141-R167 PolarHBondContact O-N 2.71Å; Y141-R167 WeakPolarHBondContact OH-CB 3.46Å; Y141-R167 WeakPolarHBondContact OH-CD 3.28Å; Y141-K169 HydrophobicContact CD1-CB 4.11Å; Y141-K169 HydrophobicContact CE1-CB 4.11Å
142	R	85.6	Confident	68.8	Low	112 Å²	112	75.3 Å²	75.3	42%	0.423	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	128.9	177.6	-157.5	178.2	-161.2	172.2	8	111.3	F120 I122 P165 Y166	F120-R142 PolarHBondContact O-N 3.49Å; I122-R142 HydrophobicContact CD1-CB 4.2Å; R142-P165 WeakPolarHBondContact CA-O 3.45Å; R142-P165 WeakPolarHBondContact CG-O 3.46Å; R142-Y166 HydrophobicContact CG-CD1 4.25Å; R142-Y166 HydrophobicContact CG-CE1 4.19Å
143	N	75.9	Confident	66.7	Low	4 Å²	4	77.7 Å²	77.7	2%	0.021	37%	0.366	C	S	.	.			trans	-85.8	109.5	170	-173.8	25.1	0	0	0	110.2	E145 D146 P165 R167	N143-E145 PolarHBondContact OD1-N 3.02Å; N143-D146 PolarHBondContact ND2-OD2 2.97Å; N143-P165 PolarHBondContact N-O 3.47Å; N143-R167 HydrophobicContact CB-CG 4.29Å; N143-R167 PolarHBondContact ND2-NE 3.35Å; N143-R167 PolarHBondContact ND2-NH2 3.15Å
144	E	67.1	Low	64.4	Low	61 Å²	61	82 Å²	82	29%	0.285	40%	0.396	S	S	.	.	S	Bend	trans	-77.6	-23.2	-179.3	-61.5	179.9	135.4	0	0	113	N93 R119 F120 D146 Q147	N93-E144 PolarHBondContact ND2-OE2 3.24Å; R119-E144 IonicContact NH1-OE2 3.91Å; F120-E144 WeakPolarHBondContact CD2-OE1 3.29Å; F120-E144 WeakPolarHBondContact CE2-OE1 3.36Å; E144-D146 PolarHBondContact O-N 3Å; E144-Q147 WeakPolarHBondContact O-CB 3.41Å; E144-Q147 PolarHBondContact O-N 2.98Å; E144-Q147 VanDerWaalsContact O-N 3.09Å
145	E	59.1	Low	62.2	Low	101 Å²	101	85.6 Å²	85.6	47%	0.472	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.8	-174.3	-66.2	-178.3	-172.5	0	0	112.7	K92 R119 N143 Q147	K92-E145 IonicContact NZ-OE1 2.72Å; R119-E145 IonicContact CZ-OE1 2.77Å; R119-E145 IonicContact NH1-OE1 3.45Å; R119-E145 IonicContact NH2-OE1 2.63Å; R119-E145 PolarHBondContact NH2-OE1 3.23Å; N143-E145 PolarHBondContact OD1-N 3.02Å; E145-Q147 VanDerWaalsContact C-N 3.32Å; E145-Q147 PolarHBondContact O-N 2.86Å
146	D	49.8	Very low	59.8	Low	19 Å²	19	80.4 Å²	80.4	10%	0.102	42%	0.415	C	S	.	.	H	α-helix	trans	-73.1	-18.7	174.5	-79.6	-67	0	0	0	113.5	N143 E144 G148 I149 I150 R163	N143-D146 PolarHBondContact ND2-OD2 2.97Å; E144-D146 PolarHBondContact O-N 3Å; D146-G148 PolarHBondContact O-N 2.05Å; D146-I149 PolarHBondContact O-N 2.8Å; D146-I149 VanDerWaalsContact O-N 3.09Å; D146-I150 HydrophobicContact CB-CD1 4.01Å; D146-I150 WeakPolarHBondContact O-CB 3.18Å; D146-I150 VanDerWaalsContact O-CG1 3.27Å; D146-I150 WeakPolarHBondContact O-CG1 3.3Å; D146-I150 PolarHBondContact O-N 2.83Å; D146-R163 WeakPolarHBondContact OD1-CD 3.37Å; D146-R163 IonicContact OD1-CZ 3.87Å; D146-R163 IonicContact OD1-NH1 2.85Å; D146-R163 PolarHBondContact OD1-NH1 2.87Å
147	Q	43	Very low	57.3	Low	85 Å²	85	83.5 Å²	83.5	40%	0.397	42%	0.424	S	S	.	.	H	α-helix	trans	-63.3	-26.6	178.3	-66.2	-164.8	18.1	0	0	113.1	E144 E145 R151	E144-Q147 WeakPolarHBondContact O-CB 3.41Å; E144-Q147 PolarHBondContact O-N 2.98Å; E144-Q147 VanDerWaalsContact O-N 3.09Å; E145-Q147 VanDerWaalsContact C-N 3.32Å; E145-Q147 PolarHBondContact O-N 2.86Å; Q147-R151 WeakPolarHBondContact O-CG 3.38Å
148	G	37.6	Very low	54.7	Low	50 Å²	50	81.8 Å²	81.8	52%	0.515	43%	0.43	S	S	.	.	H	α-helix	trans	-74.7	-32	175.1	0	0	0	0	0	113.4	D146	D146-G148 PolarHBondContact O-N 2.05Å
149	I	42.3	Very low	52.2	Low	69 Å²	69	89.7 Å²	89.7	35%	0.354	47%	0.466	S	S	.	.	H	α-helix	trans	-86	-42.4	-176.7	-58.8	176.1	0	0	0	110.5	D146 R151 N152 F153	D146-I149 PolarHBondContact O-N 2.8Å; D146-I149 VanDerWaalsContact O-N 3.09Å; I149-R151 PolarHBondContact O-N 2.82Å; I149-N152 PolarHBondContact O-N 2.68Å; I149-N152 VanDerWaalsContact O-N 3.08Å; I149-F153 HydrophobicContact CG2-CD2 3.99Å; I149-F153 PolarHBondContact O-N 3.31Å
150	I	40.7	Very low	49.5	Very low	82 Å²	82	93.3 Å²	93.3	42%	0.421	48%	0.479	S	S	.	.	H	α-helix	trans	-57.7	-34.2	179.1	-68.4	166.2	0	0	0	111.5	D146 N152 S154	D146-I150 HydrophobicContact CB-CD1 4.01Å; D146-I150 WeakPolarHBondContact O-CB 3.18Å; D146-I150 VanDerWaalsContact O-CG1 3.27Å; D146-I150 WeakPolarHBondContact O-CG1 3.3Å; D146-I150 PolarHBondContact O-N 2.83Å; I150-N152 VanDerWaalsContact C-N 3.29Å; I150-N152 PolarHBondContact O-N 3.22Å; I150-S154 WeakPolarHBondContact O-CB 3.22Å; I150-S154 PolarHBondContact O-N 3.38Å
151	R	38.5	Very low	46.7	Very low	147 Å²	147	100 Å²	100	56%	0.555	52%	0.515	S	S	*	.	H	α-helix	trans	-67.6	-21.4	178.7	-74.5	178.7	-173.5	-175	7.1	115.1	Q147 I149 S820	Q147-R151 WeakPolarHBondContact O-CG 3.38Å; I149-R151 PolarHBondContact O-N 2.82Å; R151-S820 VanDerWaalsContact NH1-CB 3.34Å
152	N	38.3	Very low	44.3	Very low	142 Å²	142	108.5 Å²	108.5	76%	0.759	55%	0.554	S	S	*	*	H	α-helix	trans	-106.3	-16.2	179.7	-72.8	-9.5	0	0	0	113.4	I149 I150	I149-N152 PolarHBondContact O-N 2.68Å; I149-N152 VanDerWaalsContact O-N 3.08Å; I150-N152 VanDerWaalsContact C-N 3.29Å; I150-N152 PolarHBondContact O-N 3.22Å
153	F	39.9	Very low	42.7	Very low	132 Å²	132	109.8 Å²	109.8	58%	0.579	56%	0.559	S	S	*	*	H	α-helix	trans	-95.9	-10.1	179.8	-100.3	-92.1	0	0	0	114.7	I149 L155 A156	I149-F153 HydrophobicContact CG2-CD2 3.99Å; I149-F153 PolarHBondContact O-N 3.31Å; F153-L155 PolarHBondContact O-N 3.49Å; F153-A156 PolarHBondContact O-N 2.87Å
154	S	39.1	Very low	41.9	Very low	90 Å²	90	113.1 Å²	113.1	63%	0.629	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	5.1	-173.9	51.1	0	0	0	0	116.7	I150	I150-S154 WeakPolarHBondContact O-CB 3.22Å; I150-S154 PolarHBondContact O-N 3.38Å
155	L	38.9	Very low	42.2	Very low	172 Å²	172	112 Å²	112	90%	0.901	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.7	-2.7	-179.3	-81.1	164.6	0	0	0	114.7	F153	F153-L155 PolarHBondContact O-N 3.49Å
156	A	34.6	Very low	43.2	Very low	79 Å²	79	109.9 Å²	109.9	65%	0.653	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.7	-16	-167.3	0	0	0	0	0	116.9	F153	F153-A156 PolarHBondContact O-N 2.87Å
157	Y	31.4	Very low	44.9	Very low	164 Å²	164	111.4 Å²	111.4	64%	0.643	57%	0.567	S	S	*	*			trans	-146.3	98.1	-172.8	-119.1	-102.2	0	0	0	112.1	F160	Y157-F160 HydrophobicContact CD1-CB 3.91Å; Y157-F160 HydrophobicContact CD1-CD2 4.25Å; Y157-F160 HydrophobicContact CD1-CG 4.48Å; Y157-F160 HydrophobicContact CE1-CB 3.81Å; Y157-F160 AromaticContact CE1-CD2 3.56Å; Y157-F160 HydrophobicContact CE1-CD2 3.56Å; Y157-F160 HydrophobicContact CE1-CE2 4.45Å; Y157-F160 AromaticContact CE1-CG 3.93Å; Y157-F160 HydrophobicContact CE1-CG 3.93Å
158	S	30.2	Very low	47.1	Very low	122 Å²	122	107.5 Å²	107.5	85%	0.853	55%	0.549	S	S	*	.	S	Bend	trans	-101.9	12	179	53.6	0	0	0	0	114.1
159	Q	33.9	Very low	49.5	Very low	171 Å²	171	107.5 Å²	107.5	80%	0.799	54%	0.535	S	S	*	.	S	Bend	trans	-136.3	4.2	-167.5	-78.5	-172.3	-25.4	0	0	116.9
160	F	32.3	Very low	51.8	Low	149 Å²	149	104.8 Å²	104.8	65%	0.654	52%	0.521	S	S	*	.	S	Bend	trans	-134.1	118.5	174.8	-83.8	-101.1	0	0	0	112.4	Y157	Y157-F160 HydrophobicContact CD1-CB 3.91Å; Y157-F160 HydrophobicContact CD1-CD2 4.25Å; Y157-F160 HydrophobicContact CD1-CG 4.48Å; Y157-F160 HydrophobicContact CE1-CB 3.81Å; Y157-F160 AromaticContact CE1-CD2 3.56Å; Y157-F160 HydrophobicContact CE1-CD2 3.56Å; Y157-F160 HydrophobicContact CE1-CE2 4.45Å; Y157-F160 AromaticContact CE1-CG 3.93Å; Y157-F160 HydrophobicContact CE1-CG 3.93Å
161	N	32.9	Very low	53.9	Low	145 Å²	145	102.4 Å²	102.4	78%	0.775	51%	0.512	S	S	*	.			trans	43.4	104.2	165.1	-65.1	-3.3	0	0	0	116.9	R163	N161-R163 PolarHBondContact O-N 2.77Å
162	E	39.8	Very low	55.9	Low	182 Å²	182	105.5 Å²	105.5	85%	0.85	53%	0.525	S	S	*	.			trans	-49.7	114.4	161.6	-65.1	-173.9	149.8	0	0	110.1	I164	E162-I164 PolarHBondContact O-N 2.77Å
163	R	52.3	Low	58.1	Low	140 Å²	140	102.2 Å²	102.2	53%	0.528	51%	0.507	S	S	.	.			trans	-69.3	91.4	164.2	-73.2	-169	-177.4	-167.2	3.1	107.6	D146 N161 P165	D146-R163 WeakPolarHBondContact OD1-CD 3.37Å; D146-R163 IonicContact OD1-CZ 3.87Å; D146-R163 IonicContact OD1-NH1 2.85Å; D146-R163 PolarHBondContact OD1-NH1 2.87Å; N161-R163 PolarHBondContact O-N 2.77Å; R163-P165 VanDerWaalsContact O-CD 3.31Å; R163-P165 WeakPolarHBondContact O-CD 3.41Å
164	I	57.3	Low	60.3	Low	73 Å²	73	97.4 Å²	97.4	37%	0.374	49%	0.489	S	S	.	.			trans	-50.8	115.9	172.6	-55.1	-179.7	0	0	0	106.8	Y129 E162 Y166	Y129-I164 HydrophobicContact CD1-CG2 4.46Å; Y129-I164 HydrophobicContact CD2-CD1 4.15Å; Y129-I164 HydrophobicContact CG-CD1 4.4Å; Y129-I164 HydrophobicContact CG-CG2 4.2Å; E162-I164 PolarHBondContact O-N 2.77Å; I164-Y166 HydrophobicContact CG2-CD2 3.6Å; I164-Y166 HydrophobicContact CG2-CG 4.1Å; I164-Y166 PolarHBondContact O-N 3.01Å
165	P	74	Confident	62.5	Low	39 Å²	39	93.3 Å²	93.3	25%	0.253	46%	0.46	S	S	.	.	S	Bend	trans	-77.1	23.3	-174.1	33.1	-36.5	0	0	0	111.9	R142 N143 R163	R142-P165 WeakPolarHBondContact CA-O 3.45Å; R142-P165 WeakPolarHBondContact CG-O 3.46Å; N143-P165 PolarHBondContact N-O 3.47Å; R163-P165 VanDerWaalsContact O-CD 3.31Å; R163-P165 WeakPolarHBondContact O-CD 3.41Å
166	Y	80.1	Confident	64.3	Low	55 Å²	55	86.6 Å²	86.6	22%	0.216	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.6	-170.4	-48.7	-50.4	0	0	0	109.2	I122 N127 Y141 R142 I164	I122-Y166 HydrophobicContact CD1-CD1 3.1Å; I122-Y166 HydrophobicContact CD1-CE1 3.33Å; I122-Y166 HydrophobicContact CD1-CG 3.96Å; N127-Y166 HydrophobicContact CB-CD2 4.41Å; N127-Y166 HydrophobicContact CB-CE2 4.32Å; N127-Y166 WeakPolarHBondContact ND2-CE2 3.5Å; Y141-Y166 CarbonylContact O-C 3.58Å; Y141-Y166 VanDerWaalsContact O-CA 3.27Å; Y141-Y166 WeakPolarHBondContact O-CA 3.45Å; R142-Y166 HydrophobicContact CG-CD1 4.25Å; R142-Y166 HydrophobicContact CG-CE1 4.19Å; I164-Y166 HydrophobicContact CG2-CD2 3.6Å; I164-Y166 HydrophobicContact CG2-CG 4.1Å; I164-Y166 PolarHBondContact O-N 3.01Å
167	R	86.4	Confident	65.9	Low	52 Å²	52	84.3 Å²	84.3	20%	0.196	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	162.5	178.9	-71.6	-176.9	-179.2	-166.9	-1.1	109.4	E115 C140 Y141 N143	E115-R167 WeakPolarHBondContact OE1-CD 3.07Å; E115-R167 IonicContact OE1-CZ 2.69Å; E115-R167 IonicContact OE1-NE 3.82Å; E115-R167 IonicContact OE1-NH1 3.02Å; E115-R167 PolarHBondContact OE1-NH1 3.27Å; C140-R167 WeakPolarHBondContact CA-O 3.25Å; Y141-R167 HydrophobicContact CD1-CB 4.17Å; Y141-R167 WeakPolarHBondContact CD1-O 3.16Å; Y141-R167 HydrophobicContact CD2-CB 4.14Å; Y141-R167 HydrophobicContact CE1-CB 3.61Å; Y141-R167 HydrophobicContact CE2-CB 3.57Å; Y141-R167 HydrophobicContact CE2-CG 4.3Å; Y141-R167 HydrophobicContact CG-CB 4.43Å; Y141-R167 PolarHBondContact N-O 2.7Å; Y141-R167 PolarHBondContact O-N 2.71Å; Y141-R167 WeakPolarHBondContact OH-CB 3.46Å; Y141-R167 WeakPolarHBondContact OH-CD 3.28Å; N143-R167 HydrophobicContact CB-CG 4.29Å; N143-R167 PolarHBondContact ND2-NE 3.35Å; N143-R167 PolarHBondContact ND2-NH2 3.15Å
168	C	87.6	Confident	67.2	Low	3 Å²	3	79 Å²	79	2%	0.02	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116.5	-176.9	-171.3	0	0	0	0	110.4	Y129 C133 F214	Y129-C168 HydrophobicContact CE1-CB 4.3Å; Y129-C168 PolarHBondContact OH-N 3.32Å; C133-C168 WeakPolarHBondContact CA-SG 3.49Å; C133-C168 HydrophobicContact CB-CB 3.68Å; C133-C168 WeakPolarHBondContact CB-SG 3.32Å; C133-C168 WeakPolarHBondContact SG-CA 3.25Å; C133-C168 WeakPolarHBondContact SG-CB 3.43Å; C133-C168 CovalentContact SG-SG 2.03Å; C133-C168 PolarHBondContact SG-SG 2.93Å; C168-F214 HydrophobicContact CB-CD1 4.06Å; C168-F214 HydrophobicContact CB-CE1 4.37Å
169	K	90	Very high	67.9	Low	50 Å²	50	75.7 Å²	75.7	22%	0.217	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	119.3	166.8	-176.5	-167.9	173	168.3	0	107.6	I110 Y111 I112 G138 L139 Y141	I110-K169 HydrophobicContact CD1-CB 4.15Å; I110-K169 HydrophobicContact CD1-CD 4.05Å; Y111-K169 WeakPolarHBondContact O-CD 2.99Å; Y111-K169 VanDerWaalsContact O-CE 3.22Å; Y111-K169 WeakPolarHBondContact O-CE 3.28Å; Y111-K169 PolarHBondContact O-NZ 3.34Å; I112-K169 HydrophobicContact CD1-CB 3.77Å; I112-K169 HydrophobicContact CD1-CD 3.99Å; I112-K169 HydrophobicContact CD1-CG 3.97Å; G138-K169 CarbonylContact C-O 3.55Å; G138-K169 WeakPolarHBondContact CA-O 3.39Å; L139-K169 HydrophobicContact CB-CB 4.32Å; L139-K169 PolarHBondContact N-O 3.07Å; L139-K169 PolarHBondContact O-N 3.24Å; Y141-K169 HydrophobicContact CD1-CB 4.11Å; Y141-K169 HydrophobicContact CE1-CB 4.11Å
170	C	89	Confident	68	Low	11 Å²	11	72.5 Å²	72.5	7%	0.074	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-94.4	155.9	-176.6	-74.1	0	0	0	0	112.7	T174 C215	C170-T174 WeakPolarHBondContact CB-O 3.49Å; C170-T174 WeakPolarHBondContact CB-OG1 3.47Å; C170-C215 HydrophobicContact CB-CB 3.5Å; C170-C215 WeakPolarHBondContact CB-SG 3.39Å; C170-C215 WeakPolarHBondContact SG-CA 3.29Å; C170-C215 WeakPolarHBondContact SG-CB 3.33Å; C170-C215 PolarHBondContact SG-N 3.36Å; C170-C215 CovalentContact SG-SG 2.03Å; C170-C215 PolarHBondContact SG-SG 2.63Å
171	P	84.7	Confident	68.4	Low	33 Å²	33	69.2 Å²	69.2	21%	0.214	34%	0.338	C	S	.	.	S	Bend	trans	-80.7	170.8	-179.3	34.7	-37.4	0	0	0	112.3	H137 N173 T174	H137-P171 HydrophobicContact CB-CG 4.24Å; P171-N173 PolarHBondContact O-N 3.01Å; P171-T174 WeakPolarHBondContact O-CB 3.04Å; P171-T174 PolarHBondContact O-N 3.01Å; P171-T174 PolarHBondContact O-OG1 3.24Å
172	Y	81.9	Confident	68.5	Low	211 Å²	211	64.7 Å²	64.7	83%	0.827	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	41.7	168.8	-48.6	-65	0	0	0	116.3	T174	Y172-T174 PolarHBondContact O-N 3.34Å; Y172-T174 VanDerWaalsContact O-N 3.08Å
173	N	82.9	Confident	68.2	Low	73 Å²	73	63.4 Å²	63.4	39%	0.39	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	14.2	-173.7	-61.8	-26	0	0	0	114.5	P171 L219	P171-N173 PolarHBondContact O-N 3.01Å; N173-L219 HydrophobicContact CB-CB 4.42Å; N173-L219 VanDerWaalsContact O-CB 3.32Å; N173-L219 WeakPolarHBondContact O-CB 3.44Å; N173-L219 PolarHBondContact O-N 3.36Å
174	T	86.7	Confident	67.2	Low	31 Å²	31	62 Å²	62	19%	0.19	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	164	172.4	65.1	0	0	0	0	111.4	C170 P171 Y172 C215 G217	C170-T174 WeakPolarHBondContact CB-O 3.49Å; C170-T174 WeakPolarHBondContact CB-OG1 3.47Å; P171-T174 WeakPolarHBondContact O-CB 3.04Å; P171-T174 PolarHBondContact O-N 3.01Å; P171-T174 PolarHBondContact O-OG1 3.24Å; Y172-T174 PolarHBondContact O-N 3.34Å; Y172-T174 VanDerWaalsContact O-N 3.08Å; T174-C215 WeakPolarHBondContact CB-O 3.45Å; T174-C215 WeakPolarHBondContact OG1-CB 2.99Å; T174-G217 CarbonylContact C-O 3.58Å; T174-G217 WeakPolarHBondContact CA-O 3.06Å; T174-G217 WeakPolarHBondContact CB-O 3.35Å
175	V	84.5	Confident	66.3	Low	5 Å²	5	65.7 Å²	65.7	3%	0.03	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	151	178.5	-83.5	0	0	0	0	112.2	E114 I177 C215 R216 G217 L219 L232	E114-V175 HydrophobicContact CB-CG1 4.17Å; E114-V175 HydrophobicContact CG-CG1 4.02Å; V175-I177 PolarHBondContact O-N 2.92Å; V175-C215 CarbonylContact O-C 3.6Å; V175-C215 WeakPolarHBondContact O-CA 3.3Å; V175-R216 PolarHBondContact O-N 2.93Å; V175-G217 PolarHBondContact N-O 2.84Å; V175-G217 PolarHBondContact O-N 2.91Å; V175-L219 HydrophobicContact CG1-CD1 3.68Å; V175-L219 HydrophobicContact CG1-CD2 3.79Å; V175-L219 HydrophobicContact CG1-CG 3.64Å; V175-L219 HydrophobicContact CG2-CD2 4.03Å; V175-L219 HydrophobicContact CG2-CG 4.15Å; V175-L232 HydrophobicContact CG2-CD1 4.16Å
176	S	78.1	Confident	64.3	Low	30 Å²	30	65.9 Å²	65.9	21%	0.21	32%	0.32	C	S	.	.			trans	-73.3	114.8	171.4	-170.8	0	0	0	0	109.9	N178	S176-N178 PolarHBondContact O-N 3.36Å
177	I	68.7	Low	62.1	Low	32 Å²	32	71 Å²	71	16%	0.164	34%	0.34	C	S	.	.			trans	-74.6	81.6	174.9	-54.1	172.1	0	0	0	108	V175 T179 R216 D230	V175-I177 PolarHBondContact O-N 2.92Å; I177-T179 PolarHBondContact O-N 3.24Å; I177-R216 HydrophobicContact CD1-CB 3.99Å; I177-D230 HydrophobicContact CD1-CB 3.86Å
178	N	58.8	Low	59.7	Low	53 Å²	53	74.8 Å²	74.8	28%	0.283	36%	0.363	S	S	.	.			trans	-72.8	113.8	170.2	-169.3	-26.5	0	0	0	108.2	S176 N180 L181	S176-N178 PolarHBondContact O-N 3.36Å; N178-N180 PolarHBondContact O-N 3.33Å; N178-N180 WeakPolarHBondContact OD1-CB 3.33Å; N178-N180 PolarHBondContact OD1-N 3.37Å; N178-N180 VanDerWaalsContact OD1-N 3.12Å; N178-N180 PolarHBondContact OD1-ND2 2.89Å; N178-L181 HydrophobicContact CB-CD1 4.46Å; N178-L181 PolarHBondContact O-N 2.9Å
179	T	44.2	Very low	57	Low	51 Å²	51	81.5 Å²	81.5	31%	0.313	40%	0.399	S	S	.	.	H	α-helix	trans	-54.1	-23.5	179.6	47.9	0	0	0	0	113	I177 W183 I212	I177-T179 PolarHBondContact O-N 3.24Å; T179-W183 VanDerWaalsContact O-CD1 3.22Å; T179-I212 HydrophobicContact CG2-CD1 3.77Å
180	N	36.5	Very low	54.2	Low	104 Å²	104	86.9 Å²	86.9	56%	0.556	43%	0.425	S	S	*	.	H	α-helix	trans	-76.6	-17.4	176.5	-58.2	-69.4	0	0	0	114.6	N178 W183	N178-N180 PolarHBondContact O-N 3.33Å; N178-N180 WeakPolarHBondContact OD1-CB 3.33Å; N178-N180 PolarHBondContact OD1-N 3.37Å; N178-N180 VanDerWaalsContact OD1-N 3.12Å; N178-N180 PolarHBondContact OD1-ND2 2.89Å; N180-W183 PolarHBondContact O-N 2.66Å
181	L	39.9	Very low	51.4	Low	80 Å²	80	91.4 Å²	91.4	42%	0.419	46%	0.457	S	S	.	.	H	α-helix	trans	-77.3	-32.1	177.1	-99.7	162.2	0	0	0	112.4	N178 W183 N184 K185	N178-L181 HydrophobicContact CB-CD1 4.46Å; N178-L181 PolarHBondContact O-N 2.9Å; L181-W183 PolarHBondContact O-N 3.21Å; L181-N184 PolarHBondContact O-N 2.96Å; L181-K185 PolarHBondContact O-N 3.43Å
182	L	34.6	Very low	48.8	Very low	51 Å²	51	99.4 Å²	99.4	27%	0.267	49%	0.488	S	S	.	.	H	α-helix	trans	-55.6	-38.8	168.7	-94.5	155.3	0	0	0	111.9	N184 S186 M206 Q228	L182-N184 PolarHBondContact O-N 3.43Å; L182-S186 PolarHBondContact O-OG 2.88Å; L182-M206 HydrophobicContact CD1-CE 4.01Å; L182-Q228 HydrophobicContact CD2-CB 4.49Å; L182-Q228 VanDerWaalsContact CD2-O 3.24Å; L182-Q228 WeakPolarHBondContact CD2-O 3.1Å
183	W	33.1	Very low	46.4	Very low	154 Å²	154	96.3 Å²	96.3	58%	0.583	49%	0.486	S	S	*	.	H	α-helix	trans	-67.9	-33	-176.8	-76.7	48.7	0	0	0	113.6	T179 N180 L181 Y187 L203	T179-W183 VanDerWaalsContact O-CD1 3.22Å; N180-W183 PolarHBondContact O-N 2.66Å; L181-W183 PolarHBondContact O-N 3.21Å; W183-Y187 WeakPolarHBondContact O-CD2 3.43Å; W183-L203 HydrophobicContact CZ2-CD1 4.35Å
184	N	31.8	Very low	43.9	Very low	111 Å²	111	100.8 Å²	100.8	59%	0.594	51%	0.509	S	S	*	.	H	α-helix	trans	-92.9	-26.8	-174	-107.7	-5	0	0	0	114.4	L181 L182 I188	L181-N184 PolarHBondContact O-N 2.96Å; L182-N184 PolarHBondContact O-N 3.43Å; N184-I188 WeakPolarHBondContact O-CD1 3.48Å
185	K	38.3	Very low	41.4	Very low	150 Å²	150	105.1 Å²	105.1	65%	0.652	53%	0.53	S	S	*	.	H	α-helix	trans	-84.9	-24.2	178.8	-85.9	-172.7	174.2	-177.6	0	114.1	L181	L181-K185 PolarHBondContact O-N 3.43Å
186	S	33.3	Very low	39.1	Very low	44 Å²	44	107.5 Å²	107.5	31%	0.308	55%	0.547	S	S	.	.	H	α-helix	trans	-84	-40.7	176.8	66.6	0	0	0	0	113.2	L182 I188	L182-S186 PolarHBondContact O-OG 2.88Å; S186-I188 PolarHBondContact O-N 3.49Å
187	Y	32.1	Very low	37.2	Very low	161 Å²	161	111.6 Å²	111.6	63%	0.631	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-19.8	-170.7	-93.5	-89.9	0	0	0	116	W183	W183-Y187 WeakPolarHBondContact O-CD2 3.43Å
188	I	36.8	Very low	35.8	Very low	133 Å²	133	115.5 Å²	115.5	68%	0.682	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-22.1	-176	-63.1	177.5	0	0	0	112.2	N184 S186	N184-I188 WeakPolarHBondContact O-CD1 3.48Å; S186-I188 PolarHBondContact O-N 3.49Å
189	N	31.8	Very low	35	Very low	144 Å²	144	116.6 Å²	116.6	77%	0.77	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	-2.3	-174.8	-77.8	-14.3	0	0	0	115.3
190	Q	31	Very low	34.8	Very low	162 Å²	162	119.5 Å²	119.5	76%	0.757	61%	0.609	S	S	*	*			trans	-98.3	99.3	173.5	-72.2	-169.2	-3.3	0	0	111.6	K192	Q190-K192 PolarHBondContact O-N 3.49Å; Q190-K192 VanDerWaalsContact O-N 3.11Å
191	S	30	Very low	34.9	Very low	107 Å²	107	121.4 Å²	121.4	75%	0.748	62%	0.615	S	S	*	*			trans	-61.8	109	169.9	55.6	0	0	0	0	111.2	N193	S191-N193 PolarHBondContact O-N 2.88Å; S191-N193 VanDerWaalsContact O-N 3.11Å
192	K	29.8	Very low	35.2	Very low	200 Å²	200	122.7 Å²	122.7	87%	0.87	62%	0.621	S	S	*	*	S	Bend	trans	17.7	80.1	157	-65	-179.4	178.1	178.2	0	115.6	Q190	Q190-K192 PolarHBondContact O-N 3.49Å; Q190-K192 VanDerWaalsContact O-N 3.11Å
193	N	31.5	Very low	35.4	Very low	146 Å²	146	124.4 Å²	124.4	78%	0.781	63%	0.63	S	S	*	*			trans	-159.9	114.6	158.5	-94.6	-34.9	0	0	0	110.9	S191	S191-N193 PolarHBondContact O-N 2.88Å; S191-N193 VanDerWaalsContact O-N 3.11Å
194	L	30.7	Very low	35.5	Very low	167 Å²	167	122.3 Å²	122.3	87%	0.874	63%	0.63	S	S	*	*			trans	34.5	96.1	159	-69.2	132.1	0	0	0	118.1
195	I	34.5	Very low	35.9	Very low	123 Å²	123	124.9 Å²	124.9	63%	0.631	63%	0.633	S	S	*	*			trans	-60.1	137.3	161.2	-61.8	168.8	0	0	0	109	D199	I195-D199 HydrophobicContact CG2-CB 3.83Å
196	S	34.9	Very low	36	Very low	55 Å²	55	120.6 Å²	120.6	39%	0.385	62%	0.616	S	S	.	*			trans	-89	159.6	-179.7	75.6	0	0	0	0	111.4	D198 D199	S196-D198 PolarHBondContact O-N 2.86Å; S196-D199 PolarHBondContact N-OD2 3.32Å; S196-D199 PolarHBondContact O-N 2.83Å; S196-D199 PolarHBondContact OG-OD2 2.74Å
197	V	39.5	Very low	36.3	Very low	116 Å²	116	124.6 Å²	124.6	70%	0.703	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-22.1	-178.2	178.9	0	0	0	0	112	D199 I200	V197-D199 VanDerWaalsContact C-N 3.34Å; V197-D199 PolarHBondContact O-N 3.32Å; V197-I200 PolarHBondContact O-N 2.92Å
198	D	39.8	Very low	36.6	Very low	113 Å²	113	125.5 Å²	125.5	60%	0.604	64%	0.641	S	S	*	*	H	α-helix	trans	-72.1	-27.2	-179.8	-59.5	-32.7	0	0	0	112.6	S196 I200 Q201	S196-D198 PolarHBondContact O-N 2.86Å; D198-I200 PolarHBondContact O-N 3.43Å; D198-Q201 PolarHBondContact O-N 3.42Å
199	D	40.1	Very low	36.7	Very low	76 Å²	76	124.4 Å²	124.4	41%	0.406	63%	0.631	S	S	.	*	H	α-helix	trans	-63.4	-24.2	177.9	-62.3	-60.8	0	0	0	112.4	I195 S196 V197 L203	I195-D199 HydrophobicContact CG2-CB 3.83Å; S196-D199 PolarHBondContact N-OD2 3.32Å; S196-D199 PolarHBondContact O-N 2.83Å; S196-D199 PolarHBondContact OG-OD2 2.74Å; V197-D199 VanDerWaalsContact C-N 3.34Å; V197-D199 PolarHBondContact O-N 3.32Å; D199-L203 PolarHBondContact O-N 3.21Å
200	I	41.5	Very low	37.3	Very low	112 Å²	112	127 Å²	127	57%	0.574	64%	0.639	S	S	*	*	H	α-helix	trans	-75.9	-33.1	-179.1	-58.9	176.5	0	0	0	111.5	V197 D198 L203 D204	V197-I200 PolarHBondContact O-N 2.92Å; D198-I200 PolarHBondContact O-N 3.43Å; I200-L203 WeakPolarHBondContact O-CB 3.38Å; I200-L203 PolarHBondContact O-N 3.48Å; I200-D204 PolarHBondContact O-N 3.44Å
201	Q	38.9	Very low	37.8	Very low	145 Å²	145	126 Å²	126	68%	0.678	64%	0.638	S	S	*	*	H	α-helix	trans	-72.8	-31.2	178.7	-66.2	-170.4	6	0	0	112.3	D198 L203 D204 Y205	D198-Q201 PolarHBondContact O-N 3.42Å; Q201-L203 VanDerWaalsContact C-N 3.3Å; Q201-D204 PolarHBondContact O-N 3.41Å; Q201-Y205 PolarHBondContact O-N 2.99Å
202	I	44.3	Very low	38.9	Very low	106 Å²	106	123.1 Å²	123.1	54%	0.544	61%	0.614	S	S	.	*	H	α-helix	trans	-64.7	-38.7	173.2	-60.6	174	0	0	0	110.3	D204 Y205 M206	I202-D204 PolarHBondContact O-N 3.08Å; I202-Y205 PolarHBondContact O-N 2.91Å; I202-M206 WeakPolarHBondContact O-CG 3.46Å; I202-M206 PolarHBondContact O-N 3.38Å; I202-M206 VanDerWaalsContact O-N 3.11Å
203	L	38.8	Very low	40.1	Very low	87 Å²	87	114.2 Å²	114.2	46%	0.455	58%	0.579	S	S	.	*	H	α-helix	trans	-61.5	-42.8	178.8	-141.5	75.5	0	0	0	112.2	W183 D199 I200 Q201 M206 N207	W183-L203 HydrophobicContact CZ2-CD1 4.35Å; D199-L203 PolarHBondContact O-N 3.21Å; I200-L203 WeakPolarHBondContact O-CB 3.38Å; I200-L203 PolarHBondContact O-N 3.48Å; Q201-L203 VanDerWaalsContact C-N 3.3Å; L203-M206 PolarHBondContact O-N 3.42Å; L203-N207 PolarHBondContact O-N 2.86Å; L203-N207 PolarHBondContact O-ND2 2.93Å
204	D	36.8	Very low	41.9	Very low	110 Å²	110	109 Å²	109	59%	0.588	55%	0.55	S	S	*	.	H	α-helix	trans	-76.2	-28.2	-178	-144.2	34.2	0	0	0	112.5	I200 Q201 I202	I200-D204 PolarHBondContact O-N 3.44Å; Q201-D204 PolarHBondContact O-N 3.41Å; I202-D204 PolarHBondContact O-N 3.08Å
205	Y	39.8	Very low	44.2	Very low	166 Å²	166	102 Å²	102	65%	0.651	52%	0.515	S	S	*	.	H	α-helix	trans	-72.5	-33.4	173.2	-156.5	-92.1	0	0	0	112.6	Q201 I202	Q201-Y205 PolarHBondContact O-N 2.99Å; I202-Y205 PolarHBondContact O-N 2.91Å
206	M	40	Very low	46.5	Very low	60 Å²	60	103.1 Å²	103.1	30%	0.296	51%	0.511	S	S	.	.	H	α-helix	trans	-74.1	-39.1	177.5	-73.9	-67.8	-147.5	0	0	112.9	L182 I202 L203 K208 I212	L182-M206 HydrophobicContact CD1-CE 4.01Å; I202-M206 WeakPolarHBondContact O-CG 3.46Å; I202-M206 PolarHBondContact O-N 3.38Å; I202-M206 VanDerWaalsContact O-N 3.11Å; L203-M206 PolarHBondContact O-N 3.42Å; M206-K208 PolarHBondContact O-N 3.4Å; M206-I212 HydrophobicContact SD-CD1 4.48Å
207	N	38.8	Very low	48.8	Very low	128 Å²	128	100.6 Å²	100.6	68%	0.684	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.8	-179.5	-75.2	-23.5	0	0	0	114.2	L203	L203-N207 PolarHBondContact O-N 2.86Å; L203-N207 PolarHBondContact O-ND2 2.93Å
208	K	39.4	Very low	51.2	Low	179 Å²	179	98.7 Å²	98.7	78%	0.778	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	2.9	-177.4	-117.4	170.7	-175.1	164.4	0	115.3	M206	M206-K208 PolarHBondContact O-N 3.4Å
209	K	39.6	Very low	53.6	Low	110 Å²	110	93.9 Å²	93.9	48%	0.478	45%	0.453	S	S	.	.			trans	-114.9	83	175.7	-78.2	-174.4	175.2	175.4	0	112.1	N211 I212	K209-N211 PolarHBondContact O-N 3.27Å; K209-I212 HydrophobicContact CB-CD1 4.42Å; K209-I212 HydrophobicContact CB-CG1 3.77Å; K209-I212 PolarHBondContact O-N 2.96Å
210	E	42.5	Very low	56.1	Low	198 Å²	198	90.5 Å²	90.5	93%	0.925	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-2.2	161.1	-106.1	177.5	152.5	0	0	113.6
211	N	42.7	Very low	58.5	Low	141 Å²	141	86.5 Å²	86.5	75%	0.754	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.7	47.5	175.6	-79	-46.2	0	0	0	112.4	K209 G213 R216	K209-N211 PolarHBondContact O-N 3.27Å; N211-G213 PolarHBondContact O-N 2.84Å; N211-G213 VanDerWaalsContact O-N 3.11Å; N211-R216 PolarHBondContact O-NH1 2.91Å; N211-R216 VanDerWaalsContact O-NH1 3.11Å
212	I	52.2	Low	61	Low	47 Å²	47	81.2 Å²	81.2	24%	0.241	39%	0.391	C	S	.	.			trans	-71.4	99.8	156.9	-58.7	175.6	0	0	0	106.5	T179 M206 K209 F214	T179-I212 HydrophobicContact CG2-CD1 3.77Å; M206-I212 HydrophobicContact SD-CD1 4.48Å; K209-I212 HydrophobicContact CB-CD1 4.42Å; K209-I212 HydrophobicContact CB-CG1 3.77Å; K209-I212 PolarHBondContact O-N 2.96Å; I212-F214 PolarHBondContact O-N 2.95Å
213	G	55.6	Low	63.2	Low	13 Å²	13	78 Å²	78	13%	0.134	38%	0.384	C	S	.	.			trans	-51.2	139.4	-179.6	0	0	0	0	0	111.7	N211 R216	N211-G213 PolarHBondContact O-N 2.84Å; N211-G213 VanDerWaalsContact O-N 3.11Å; G213-R216 VanDerWaalsContact N-CZ 3.29Å; G213-R216 WeakPolarHBondContact O-CD 3.3Å; G213-R216 WeakPolarHBondContact O-CG 3.02Å
214	F	68.3	Low	65.7	Low	37 Å²	37	78.3 Å²	78.3	16%	0.162	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	152.2	173	-71.4	-112.1	0	0	0	109.1	Y129 K132 C133 F136 C168 I212 R216	Y129-F214 HydrophobicContact CD2-CE1 4.06Å; Y129-F214 AromaticContact CD2-CZ 3.95Å; Y129-F214 HydrophobicContact CD2-CZ 3.95Å; Y129-F214 HydrophobicContact CE1-CE1 4.37Å; Y129-F214 AromaticContact CE2-CE1 3.61Å; Y129-F214 HydrophobicContact CE2-CE1 3.61Å; Y129-F214 AromaticContact CE2-CZ 3.86Å; Y129-F214 HydrophobicContact CE2-CZ 3.86Å; Y129-F214 AromaticContact CZ-CE1 3.78Å; K132-F214 HydrophobicContact CB-CD2 4.38Å; K132-F214 HydrophobicContact CB-CE1 4.41Å; K132-F214 HydrophobicContact CB-CE2 3.64Å; K132-F214 HydrophobicContact CB-CZ 3.65Å; K132-F214 HydrophobicContact CD-CE2 4.32Å; K132-F214 HydrophobicContact CG-CE2 4.46Å; C133-F214 HydrophobicContact CB-CD1 4.34Å; C133-F214 HydrophobicContact CB-CE1 4.24Å; F136-F214 HydrophobicContact CB-CB 4.02Å; F136-F214 HydrophobicContact CD2-CB 3.6Å; F136-F214 AromaticContact CD2-CD2 3.9Å; F136-F214 HydrophobicContact CD2-CD2 3.9Å; F136-F214 AromaticContact CD2-CG 3.96Å; F136-F214 HydrophobicContact CD2-CG 3.96Å; F136-F214 HydrophobicContact CE2-CB 4.24Å; F136-F214 AromaticContact CE2-CD2 3.91Å; F136-F214 HydrophobicContact CE2-CD2 3.91Å; F136-F214 HydrophobicContact CE2-CG 4.42Å; F136-F214 HydrophobicContact CG-CB 3.86Å; C168-F214 HydrophobicContact CB-CD1 4.06Å; C168-F214 HydrophobicContact CB-CE1 4.37Å; I212-F214 PolarHBondContact O-N 2.95Å; F214-R216 VanDerWaalsContact C-N 3.31Å; F214-R216 PolarHBondContact O-N 3.34Å
215	C	80.1	Confident	68.2	Low	20 Å²	20	78.5 Å²	78.5	14%	0.135	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	62	33	171.4	-48.6	0	0	0	0	115	C170 T174 V175	C170-C215 HydrophobicContact CB-CB 3.5Å; C170-C215 WeakPolarHBondContact CB-SG 3.39Å; C170-C215 WeakPolarHBondContact SG-CA 3.29Å; C170-C215 WeakPolarHBondContact SG-CB 3.33Å; C170-C215 PolarHBondContact SG-N 3.36Å; C170-C215 CovalentContact SG-SG 2.03Å; C170-C215 PolarHBondContact SG-SG 2.63Å; T174-C215 WeakPolarHBondContact CB-O 3.45Å; T174-C215 WeakPolarHBondContact OG1-CB 2.99Å; V175-C215 CarbonylContact O-C 3.6Å; V175-C215 WeakPolarHBondContact O-CA 3.3Å
216	R	82.4	Confident	70.7	Confident	147 Å²	147	70.8 Å²	70.8	56%	0.555	35%	0.35	S	S	*	.			trans	-89.4	-24	177.9	-83.4	-176.9	173.1	162.4	5.2	115.6	V175 I177 N211 G213 F214	V175-R216 PolarHBondContact O-N 2.93Å; I177-R216 HydrophobicContact CD1-CB 3.99Å; N211-R216 PolarHBondContact O-NH1 2.91Å; N211-R216 VanDerWaalsContact O-NH1 3.11Å; G213-R216 VanDerWaalsContact N-CZ 3.29Å; G213-R216 WeakPolarHBondContact O-CD 3.3Å; G213-R216 WeakPolarHBondContact O-CG 3.02Å; F214-R216 VanDerWaalsContact C-N 3.31Å; F214-R216 PolarHBondContact O-N 3.34Å
217	G	83.9	Confident	72.8	Confident	1 Å²	1	70 Å²	70	1%	0.01	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	156.2	175.6	0	0	0	0	0	110.4	T174 V175 D230	T174-G217 CarbonylContact C-O 3.58Å; T174-G217 WeakPolarHBondContact CA-O 3.06Å; T174-G217 WeakPolarHBondContact CB-O 3.35Å; V175-G217 PolarHBondContact N-O 2.84Å; V175-G217 PolarHBondContact O-N 2.91Å; G217-D230 CarbonylContact C-O 3.52Å; G217-D230 WeakPolarHBondContact CA-O 3.43Å
218	L	89.7	Confident	74.5	Confident	77 Å²	77	69.4 Å²	69.4	40%	0.403	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.3	176	-176.8	68.3	0	0	0	109.6	V220 D230 M231 L232	L218-V220 HydrophobicContact CD2-CG1 3.99Å; L218-V220 HydrophobicContact CG-CG1 4.11Å; L218-D230 PolarHBondContact N-O 3.25Å; L218-M231 CarbonylContact O-C 3.57Å; L218-L232 PolarHBondContact O-N 3.01Å
219	L	90.2	Very high	76.3	Confident	12 Å²	12	65.5 Å²	65.5	6%	0.063	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.6	169.8	-65.4	175.6	0	0	0	110.1	P113 E114 N173 V175 L232 R234	P113-L219 HydrophobicContact CB-CD1 4.18Å; E114-L219 HydrophobicContact CB-CD1 4.29Å; E114-L219 HydrophobicContact CB-CD2 4.13Å; N173-L219 HydrophobicContact CB-CB 4.42Å; N173-L219 VanDerWaalsContact O-CB 3.32Å; N173-L219 WeakPolarHBondContact O-CB 3.44Å; N173-L219 PolarHBondContact O-N 3.36Å; V175-L219 HydrophobicContact CG1-CD1 3.68Å; V175-L219 HydrophobicContact CG1-CD2 3.79Å; V175-L219 HydrophobicContact CG1-CG 3.64Å; V175-L219 HydrophobicContact CG2-CD2 4.03Å; V175-L219 HydrophobicContact CG2-CG 4.15Å; L219-L232 CarbonylContact C-O 3.54Å; L219-L232 VanDerWaalsContact CA-O 3.28Å; L219-L232 WeakPolarHBondContact CA-O 3.48Å; L219-L232 HydrophobicContact CD2-CB 4.24Å; L219-R234 HydrophobicContact CB-CB 4Å; L219-R234 HydrophobicContact CB-CG 4.09Å; L219-R234 HydrophobicContact CD1-CG 4.4Å
220	V	91.4	Very high	78.4	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.024	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	145.1	-178.5	-59.3	0	0	0	0	110.9	L218 M224 F225 C226 M231 L232 C233 R234 C255	L218-V220 HydrophobicContact CD2-CG1 3.99Å; L218-V220 HydrophobicContact CG-CG1 4.11Å; V220-M224 HydrophobicContact CB-CB 3.93Å; V220-M224 HydrophobicContact CB-SD 4.34Å; V220-F225 WeakPolarHBondContact CG2-O 3.22Å; V220-C226 HydrophobicContact CG2-CB 3.93Å; V220-M231 HydrophobicContact CG1-CB 4.29Å; V220-L232 WeakPolarHBondContact CG2-O 3.27Å; V220-L232 PolarHBondContact N-O 2.63Å; V220-C233 WeakPolarHBondContact O-CA 3.42Å; V220-R234 WeakPolarHBondContact O-CB 3.46Å; V220-R234 PolarHBondContact O-N 2.86Å; V220-C255 VanDerWaalsContact CG2-SG 3.56Å
221	D	92.4	Very high	80.4	Confident	28 Å²	28	57 Å²	57	15%	0.15	29%	0.292	C	S	.	.			trans	-84.9	171.6	-174.7	-159	6.7	0	0	0	113	G223 M224 Y271 Y272	D221-G223 PolarHBondContact O-N 3.44Å; D221-M224 HydrophobicContact CB-CG 4.24Å; D221-M224 HydrophobicContact CB-SD 3.82Å; D221-M224 PolarHBondContact N-SD 2.97Å; D221-M224 VanDerWaalsContact O-CB 3.26Å; D221-M224 WeakPolarHBondContact O-CB 3.36Å; D221-M224 PolarHBondContact O-N 2.99Å; D221-Y271 WeakPolarHBondContact OD2-CA 3.45Å; D221-Y271 WeakPolarHBondContact OD2-CB 3.26Å; D221-Y272 PolarHBondContact OD1-N 2.92Å; D221-Y272 WeakPolarHBondContact OD2-CD2 3.41Å; D221-Y272 PolarHBondContact OD2-N 3.22Å; D221-Y272 VanDerWaalsContact OD2-N 3.09Å
222	I	92.1	Very high	82.6	Confident	35 Å²	35	53.2 Å²	53.2	18%	0.179	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	128.7	177.8	-53.6	-58.3	0	0	0	111	M224 A238 C255 P263 Y272 C274	I222-M224 VanDerWaalsContact C-N 3.28Å; I222-M224 PolarHBondContact O-N 3.17Å; I222-A238 HydrophobicContact CD1-CB 3.5Å; I222-C255 HydrophobicContact CD1-CB 4.48Å; I222-P263 HydrophobicContact CG1-CB 4.36Å; I222-P263 HydrophobicContact CG2-CB 4.13Å; I222-Y272 WeakPolarHBondContact CG1-O 3.47Å; I222-C274 WeakPolarHBondContact CD1-SG 3.33Å
223	G	89.9	Confident	84.5	Confident	38 Å²	38	52 Å²	52	39%	0.392	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	-9.4	-175.9	0	0	0	0	0	115.2	D221 C255	D221-G223 PolarHBondContact O-N 3.44Å; G223-C255 PolarHBondContact N-O 3.16Å
224	M	90.8	Very high	86.1	Confident	94 Å²	94	52.8 Å²	52.8	46%	0.463	27%	0.266	S	S	.	.	S	Bend	trans	-77.3	156.3	170.3	-61.3	-174.1	68.7	0	0	111.3	V220 D221 I222 Q254 C255	V220-M224 HydrophobicContact CB-CB 3.93Å; V220-M224 HydrophobicContact CB-SD 4.34Å; D221-M224 HydrophobicContact CB-CG 4.24Å; D221-M224 HydrophobicContact CB-SD 3.82Å; D221-M224 PolarHBondContact N-SD 2.97Å; D221-M224 VanDerWaalsContact O-CB 3.26Å; D221-M224 WeakPolarHBondContact O-CB 3.36Å; D221-M224 PolarHBondContact O-N 2.99Å; I222-M224 VanDerWaalsContact C-N 3.28Å; I222-M224 PolarHBondContact O-N 3.17Å; M224-Q254 CarbonylContact O-C 3.59Å; M224-Q254 WeakPolarHBondContact O-CA 3.33Å; M224-C255 PolarHBondContact O-N 2.9Å
225	F	89.6	Confident	87.1	Confident	114 Å²	114	51.1 Å²	51.1	50%	0.5	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-68.2	139.8	176.2	-59.1	-58.3	0	0	0	111.7	V220 S252 P253 Q254	V220-F225 WeakPolarHBondContact CG2-O 3.22Å; F225-S252 VanDerWaalsContact CD1-OG 3.23Å; F225-S252 WeakPolarHBondContact CD1-OG 3.21Å; F225-S252 WeakPolarHBondContact CE1-OG 3.44Å; F225-P253 CarbonylContact C-O 3.58Å; F225-P253 VanDerWaalsContact CA-O 3.27Å; F225-P253 WeakPolarHBondContact CA-O 3.31Å; F225-Q254 HydrophobicContact CD1-CG 3.74Å; F225-Q254 HydrophobicContact CE1-CG 4.05Å; F225-Q254 VanDerWaalsContact CE1-NE2 3.31Å
226	C	92.1	Very high	87.4	Confident	4 Å²	4	51.7 Å²	51.7	3%	0.027	26%	0.262	C	S	.	.			trans	-135.8	172.3	-175.5	61.4	0	0	0	0	111.4	V220 M231 C240 P253 Q254 C255	V220-C226 HydrophobicContact CG2-CB 3.93Å; C226-M231 CarbonylContact C-O 3.54Å; C226-M231 WeakPolarHBondContact CA-O 3.04Å; C226-M231 VanDerWaalsContact CB-O 3.28Å; C226-M231 WeakPolarHBondContact CB-O 2.97Å; C226-C240 HydrophobicContact CB-CB 3.85Å; C226-C240 WeakPolarHBondContact CB-SG 3.24Å; C226-C240 WeakPolarHBondContact SG-CA 2.87Å; C226-C240 WeakPolarHBondContact SG-CB 3.28Å; C226-C240 CovalentContact SG-SG 2.03Å; C226-C240 PolarHBondContact SG-SG 2.65Å; C226-P253 PolarHBondContact N-O 3.35Å; C226-P253 WeakPolarHBondContact O-CB 3.4Å; C226-Q254 VanDerWaalsContact SG-CA 3.57Å; C226-Q254 PolarHBondContact SG-N 3.45Å; C226-C255 WeakPolarHBondContact CB-SG 3.47Å
227	N	85.2	Confident	87.7	Confident	43 Å²	43	46.7 Å²	46.7	23%	0.23	25%	0.247	C	C	.	.			trans	-150.5	-172.6	162.6	65.7	33.1	0	0	0	108.9	I229 D230 M231	N227-I229 PolarHBondContact OD1-N 2.93Å; N227-D230 PolarHBondContact ND2-OD1 3.02Å; N227-D230 PolarHBondContact OD1-N 3.34Å; N227-D230 PolarHBondContact OD1-OD1 3.44Å; N227-D230 VanDerWaalsContact OD1-OD1 3.12Å; N227-M231 HydrophobicContact CB-CE 4.38Å; N227-M231 PolarHBondContact N-O 3.47Å; N227-M231 WeakPolarHBondContact ND2-CE 3.4Å; N227-M231 PolarHBondContact OD1-N 3.06Å
228	Q	74.7	Confident	88	Confident	115 Å²	115	47 Å²	47	54%	0.537	25%	0.249	S	C	.	.	S	Bend	trans	-94.7	-1.6	178.9	-62.6	-177	2.3	0	0	113.2	L182	L182-Q228 HydrophobicContact CD2-CB 4.49Å; L182-Q228 VanDerWaalsContact CD2-O 3.24Å; L182-Q228 WeakPolarHBondContact CD2-O 3.1Å
229	I	76.7	Confident	88.1	Confident	98 Å²	98	47.6 Å²	47.6	50%	0.503	25%	0.249	S	C	.	.	S	Bend	trans	-104.6	-60.1	-166.9	-56.9	174	0	0	0	110.7	N227	N227-I229 PolarHBondContact OD1-N 2.93Å
230	D	83.1	Confident	88.2	Confident	65 Å²	65	48.1 Å²	48.1	35%	0.348	25%	0.253	S	S	.	.	S	Bend	trans	-134.2	-21.7	-171.6	57.2	11.1	0	0	0	113.9	I177 G217 L218 N227	I177-D230 HydrophobicContact CD1-CB 3.86Å; G217-D230 CarbonylContact C-O 3.52Å; G217-D230 WeakPolarHBondContact CA-O 3.43Å; L218-D230 PolarHBondContact N-O 3.25Å; N227-D230 PolarHBondContact ND2-OD1 3.02Å; N227-D230 PolarHBondContact OD1-N 3.34Å; N227-D230 PolarHBondContact OD1-OD1 3.44Å; N227-D230 VanDerWaalsContact OD1-OD1 3.12Å
231	M	85.8	Confident	88	Confident	65 Å²	65	49.2 Å²	49.2	32%	0.32	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	84.4	176.1	-64.9	-174.2	-72	0	0	111.3	L218 V220 C226 N227	L218-M231 CarbonylContact O-C 3.57Å; V220-M231 HydrophobicContact CG1-CB 4.29Å; C226-M231 CarbonylContact C-O 3.54Å; C226-M231 WeakPolarHBondContact CA-O 3.04Å; C226-M231 VanDerWaalsContact CB-O 3.28Å; C226-M231 WeakPolarHBondContact CB-O 2.97Å; N227-M231 HydrophobicContact CB-CE 4.38Å; N227-M231 PolarHBondContact N-O 3.47Å; N227-M231 WeakPolarHBondContact ND2-CE 3.4Å; N227-M231 PolarHBondContact OD1-N 3.06Å
232	L	89	Confident	87.4	Confident	61 Å²	61	54 Å²	54	32%	0.319	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	146.9	-172.7	-57	-177.4	0	0	0	112.1	V175 L218 L219 V220 R234	V175-L232 HydrophobicContact CG2-CD1 4.16Å; L218-L232 PolarHBondContact O-N 3.01Å; L219-L232 CarbonylContact C-O 3.54Å; L219-L232 VanDerWaalsContact CA-O 3.28Å; L219-L232 WeakPolarHBondContact CA-O 3.48Å; L219-L232 HydrophobicContact CD2-CB 4.24Å; V220-L232 WeakPolarHBondContact CG2-O 3.27Å; V220-L232 PolarHBondContact N-O 2.63Å; L232-R234 PolarHBondContact O-N 2.99Å
233	C	90.8	Very high	86.7	Confident	22 Å²	22	53.5 Å²	53.5	15%	0.149	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	131.6	178.5	-55.6	0	0	0	0	112.3	V220 A238 C240 C255	V220-C233 WeakPolarHBondContact O-CA 3.42Å; C233-A238 HydrophobicContact CB-CB 3.85Å; C233-C240 PolarHBondContact SG-N 3.11Å; C233-C255 WeakPolarHBondContact CA-SG 3.37Å; C233-C255 HydrophobicContact CB-CB 3.85Å; C233-C255 WeakPolarHBondContact CB-SG 3.48Å; C233-C255 VanDerWaalsContact SG-CA 3.56Å; C233-C255 WeakPolarHBondContact SG-CB 3.39Å; C233-C255 CovalentContact SG-SG 2.03Å; C233-C255 PolarHBondContact SG-SG 2.85Å
234	R	90.5	Very high	85.7	Confident	29 Å²	29	57.9 Å²	57.9	11%	0.109	30%	0.298	C	S	.	.	S	Bend	trans	-65.6	-45.3	-179.1	-168.6	167.4	179.2	-159.7	-10.7	112.8	L219 V220 L232 S236 L269 D270 Y271	L219-R234 HydrophobicContact CB-CB 4Å; L219-R234 HydrophobicContact CB-CG 4.09Å; L219-R234 HydrophobicContact CD1-CG 4.4Å; V220-R234 WeakPolarHBondContact O-CB 3.46Å; V220-R234 PolarHBondContact O-N 2.86Å; L232-R234 PolarHBondContact O-N 2.99Å; R234-S236 PolarHBondContact O-N 2.85Å; R234-L269 PolarHBondContact NH2-O 3.25Å; R234-D270 PolarHBondContact NH1-O 3.48Å; R234-Y271 HydrophobicContact CB-CD2 4.3Å; R234-Y271 HydrophobicContact CG-CD1 4.26Å; R234-Y271 HydrophobicContact CG-CD2 3.94Å; R234-Y271 HydrophobicContact CG-CE1 4.32Å; R234-Y271 HydrophobicContact CG-CE2 4.08Å; R234-Y271 HydrophobicContact CG-CG 4.07Å; R234-Y271 VanDerWaalsContact NE-CD1 3.32Å; R234-Y271 VanDerWaalsContact NH2-CD1 3.33Å
235	S	89.3	Confident	84	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.014	30%	0.304	C	S	.	.	S	Bend	trans	-70.3	127.4	174.3	167.6	0	0	0	0	111.4	N237 A238 E273 C274	S235-N237 PolarHBondContact O-N 3.47Å; S235-N237 PolarHBondContact OG-N 3.5Å; S235-A238 WeakPolarHBondContact O-CB 3.21Å; S235-A238 PolarHBondContact O-N 3.33Å; S235-E273 WeakPolarHBondContact CB-OE1 3.38Å; S235-E273 PolarHBondContact OG-OE1 2.81Å; S235-C274 WeakPolarHBondContact OG-CB 3.01Å; S235-C274 PolarHBondContact OG-N 2.9Å; S235-C274 VanDerWaalsContact OG-N 3.09Å
236	S	85.6	Confident	82.6	Confident	31 Å²	31	55.5 Å²	55.5	22%	0.217	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.3	178	66.2	0	0	0	0	113.8	Q116 R234 A238	Q116-S236 WeakPolarHBondContact CB-OG 3.39Å; R234-S236 PolarHBondContact O-N 2.85Å; S236-A238 VanDerWaalsContact C-N 3.35Å
237	N	88.4	Confident	80.7	Confident	43 Å²	43	57.9 Å²	57.9	23%	0.23	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	15	177.9	-63.4	-42	0	0	0	112.8	S235 Q258 Y261 C274	S235-N237 PolarHBondContact O-N 3.47Å; S235-N237 PolarHBondContact OG-N 3.5Å; N237-Q258 WeakPolarHBondContact O-CB 3.47Å; N237-Q258 VanDerWaalsContact O-CG 3.27Å; N237-Q258 WeakPolarHBondContact O-CG 3.18Å; N237-Q258 PolarHBondContact O-N 2.83Å; N237-Y261 HydrophobicContact CB-CD1 3.85Å; N237-Y261 HydrophobicContact CB-CE1 3.94Å; N237-Y261 HydrophobicContact CB-CG 4.31Å; N237-C274 HydrophobicContact CB-CB 3.71Å; N237-C274 WeakPolarHBondContact CB-O 3.32Å; N237-C274 PolarHBondContact ND2-O 3.32Å; N237-C274 VanDerWaalsContact ND2-O 3.1Å
238	A	90.8	Very high	79.1	Confident	6 Å²	6	63.1 Å²	63.1	5%	0.05	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	160.8	170.1	0	0	0	0	0	112	I222 C233 S235 S236 V256	I222-A238 HydrophobicContact CD1-CB 3.5Å; C233-A238 HydrophobicContact CB-CB 3.85Å; S235-A238 WeakPolarHBondContact O-CB 3.21Å; S235-A238 PolarHBondContact O-N 3.33Å; S236-A238 VanDerWaalsContact C-N 3.35Å; A238-V256 CarbonylContact C-O 3.5Å; A238-V256 VanDerWaalsContact CA-O 3.29Å; A238-V256 WeakPolarHBondContact CA-O 3.14Å
239	F	90.7	Very high	77.9	Confident	91 Å²	91	61.5 Å²	61.5	40%	0.399	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	153.2	172.3	70.3	-80.1	0	0	0	110.2	S241 V256 C257 Q258	F239-S241 PolarHBondContact O-N 2.58Å; F239-V256 WeakPolarHBondContact CD1-O 3.3Å; F239-V256 HydrophobicContact CE1-CB 4.46Å; F239-V256 PolarHBondContact N-O 2.93Å; F239-V256 PolarHBondContact O-N 3.35Å; F239-C257 WeakPolarHBondContact CE1-O 3.03Å; F239-Q258 HydrophobicContact CD1-CG 4Å
240	C	92.2	Very high	77.6	Confident	23 Å²	23	63.2 Å²	63.2	16%	0.155	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	112.5	173.2	-172.6	0	0	0	0	108.6	C226 C233 P253	C226-C240 HydrophobicContact CB-CB 3.85Å; C226-C240 WeakPolarHBondContact CB-SG 3.24Å; C226-C240 WeakPolarHBondContact SG-CA 2.87Å; C226-C240 WeakPolarHBondContact SG-CB 3.28Å; C226-C240 CovalentContact SG-SG 2.03Å; C226-C240 PolarHBondContact SG-SG 2.65Å; C233-C240 PolarHBondContact SG-N 3.11Å; C240-P253 WeakPolarHBondContact SG-CB 2.9Å
241	S	89.1	Confident	77.1	Confident	27 Å²	27	64 Å²	64	19%	0.189	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-66.4	137.4	-178	57.2	0	0	0	0	111.1	F239 G243 P253 Q254	F239-S241 PolarHBondContact O-N 2.58Å; S241-G243 PolarHBondContact O-N 3.41Å; S241-P253 VanDerWaalsContact O-CA 3.24Å; S241-P253 WeakPolarHBondContact O-CA 3.06Å; S241-P253 WeakPolarHBondContact O-CB 3.46Å; S241-Q254 WeakPolarHBondContact CB-O 3.03Å; S241-Q254 PolarHBondContact N-O 2.94Å; S241-Q254 PolarHBondContact OG-N 3.4Å; S241-Q254 VanDerWaalsContact OG-N 3.11Å; S241-Q254 PolarHBondContact OG-O 2.84Å
242	N	79.3	Confident	76.9	Confident	128 Å²	128	62.9 Å²	62.9	68%	0.684	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-61.4	116.4	172.5	-65.9	-6	0	0	0	108.5	K244	N242-K244 WeakPolarHBondContact O-CG 3.43Å; N242-K244 PolarHBondContact O-N 2.75Å
243	G	75.9	Confident	76.8	Confident	24 Å²	24	61.3 Å²	61.3	25%	0.247	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-52.3	134.2	-177.6	0	0	0	0	0	111.7	S241 L251	S241-G243 PolarHBondContact O-N 3.41Å; G243-L251 CarbonylContact C-O 3.52Å; G243-L251 WeakPolarHBondContact CA-O 3.38Å
244	K	70.9	Confident	76.9	Confident	130 Å²	130	63 Å²	63	57%	0.565	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.9	-170.9	-67.4	-171.7	179.7	177.8	0	111	N242 I246 L251	N242-K244 WeakPolarHBondContact O-CG 3.43Å; N242-K244 PolarHBondContact O-N 2.75Å; K244-I246 HydrophobicContact CB-CD1 4.49Å; K244-I246 HydrophobicContact CB-CG1 4.15Å; K244-I246 PolarHBondContact O-N 2.83Å; K244-L251 PolarHBondContact N-O 2.03Å; K244-L251 WeakPolarHBondContact O-CB 3.35Å; K244-L251 PolarHBondContact O-N 3.39Å
245	M	53.2	Low	77	Confident	121 Å²	121	61.7 Å²	61.7	60%	0.596	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	108	162.9	-72.8	-66.6	-77.1	0	0	109	Y250	M245-Y250 HydrophobicContact CG-CD2 4.21Å; M245-Y250 HydrophobicContact SD-CD2 3.81Å; M245-Y250 HydrophobicContact SD-CG 4.24Å
246	I	61	Low	77.2	Confident	38 Å²	38	64.6 Å²	64.6	20%	0.195	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119	171.5	-59.5	-170.8	0	0	0	107.6	K244 N248 V249 L251 F386	K244-I246 HydrophobicContact CB-CD1 4.49Å; K244-I246 HydrophobicContact CB-CG1 4.15Å; K244-I246 PolarHBondContact O-N 2.83Å; I246-N248 VanDerWaalsContact C-N 3.34Å; I246-N248 PolarHBondContact O-N 3.11Å; I246-V249 PolarHBondContact N-O 3.01Å; I246-V249 WeakPolarHBondContact O-CA 3.44Å; I246-V249 WeakPolarHBondContact O-CB 3.29Å; I246-V249 PolarHBondContact O-N 3.22Å; I246-L251 HydrophobicContact CB-CD1 4.02Å; I246-L251 HydrophobicContact CD1-CD1 3.5Å; I246-L251 HydrophobicContact CG1-CD1 3.78Å; I246-F386 HydrophobicContact CD1-CD1 4.13Å; I246-F386 HydrophobicContact CD1-CE1 3.5Å; I246-F386 VanDerWaalsContact CD1-CE1 3.5Å; I246-F386 HydrophobicContact CD1-CZ 4.16Å
247	N	51.3	Low	77.5	Confident	53 Å²	53	63.7 Å²	63.7	28%	0.283	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	47.7	177.1	-60.8	-6.4	0	0	0	113.6	V249 Q419	N247-V249 PolarHBondContact O-N 2.96Å; N247-V249 VanDerWaalsContact O-N 3.09Å; N247-Q419 VanDerWaalsContact CB-NE2 3.27Å; N247-Q419 PolarHBondContact ND2-OE1 2.7Å
248	N	52.8	Low	77.7	Confident	153 Å²	153	65.4 Å²	65.4	82%	0.818	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	4.6	-174	-64.7	-8.6	0	0	0	115.9	I246	I246-N248 VanDerWaalsContact C-N 3.34Å; I246-N248 PolarHBondContact O-N 3.11Å
249	V	50.3	Low	77.4	Confident	81 Å²	81	71.1 Å²	71.1	49%	0.491	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121.8	168.4	-175.3	0	0	0	0	108.3	I246 N247 L251	I246-V249 PolarHBondContact N-O 3.01Å; I246-V249 WeakPolarHBondContact O-CA 3.44Å; I246-V249 WeakPolarHBondContact O-CB 3.29Å; I246-V249 PolarHBondContact O-N 3.22Å; N247-V249 PolarHBondContact O-N 2.96Å; N247-V249 VanDerWaalsContact O-N 3.09Å; V249-L251 PolarHBondContact O-N 3.47Å
250	Y	69.3	Low	77.1	Confident	135 Å²	135	68 Å²	68	53%	0.529	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	106.2	169.1	-175.6	-105.3	0	0	0	108.8	M245 S252	M245-Y250 HydrophobicContact CG-CD2 4.21Å; M245-Y250 HydrophobicContact SD-CD2 3.81Å; M245-Y250 HydrophobicContact SD-CG 4.24Å; Y250-S252 PolarHBondContact O-N 2.97Å
251	L	73.1	Confident	77	Confident	80 Å²	80	70.1 Å²	70.1	42%	0.419	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	110.4	164	-71.9	157.1	0	0	0	107.2	G243 K244 I246 V249	G243-L251 CarbonylContact C-O 3.52Å; G243-L251 WeakPolarHBondContact CA-O 3.38Å; K244-L251 PolarHBondContact N-O 2.03Å; K244-L251 WeakPolarHBondContact O-CB 3.35Å; K244-L251 PolarHBondContact O-N 3.39Å; I246-L251 HydrophobicContact CB-CD1 4.02Å; I246-L251 HydrophobicContact CD1-CD1 3.5Å; I246-L251 HydrophobicContact CG1-CD1 3.78Å; V249-L251 PolarHBondContact O-N 3.47Å
252	S	81.7	Confident	77	Confident	43 Å²	43	71.7 Å²	71.7	30%	0.301	38%	0.378	S	S	.	.			trans	-55.1	148.5	174.8	14.7	0	0	0	0	111	F225 Y250 Q254	F225-S252 VanDerWaalsContact CD1-OG 3.23Å; F225-S252 WeakPolarHBondContact CD1-OG 3.21Å; F225-S252 WeakPolarHBondContact CE1-OG 3.44Å; Y250-S252 PolarHBondContact O-N 2.97Å; S252-Q254 PolarHBondContact O-N 2.98Å
253	P	87.1	Confident	77.7	Confident	28 Å²	28	68.5 Å²	68.5	18%	0.182	36%	0.364	C	S	.	.			trans	-50.3	131.5	175.7	-27.5	35.5	0	0	0	111.7	F225 C226 C240 S241	F225-P253 CarbonylContact C-O 3.58Å; F225-P253 VanDerWaalsContact CA-O 3.27Å; F225-P253 WeakPolarHBondContact CA-O 3.31Å; C226-P253 PolarHBondContact N-O 3.35Å; C226-P253 WeakPolarHBondContact O-CB 3.4Å; C240-P253 WeakPolarHBondContact SG-CB 2.9Å; S241-P253 VanDerWaalsContact O-CA 3.24Å; S241-P253 WeakPolarHBondContact O-CA 3.06Å; S241-P253 WeakPolarHBondContact O-CB 3.46Å
254	Q	91.2	Very high	78.3	Confident	57 Å²	57	69.3 Å²	69.3	27%	0.266	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-126	151	176.7	-73.9	179.3	-8.7	0	0	111.5	M224 F225 C226 S241 S252 V256	M224-Q254 CarbonylContact O-C 3.59Å; M224-Q254 WeakPolarHBondContact O-CA 3.33Å; F225-Q254 HydrophobicContact CD1-CG 3.74Å; F225-Q254 HydrophobicContact CE1-CG 4.05Å; F225-Q254 VanDerWaalsContact CE1-NE2 3.31Å; C226-Q254 VanDerWaalsContact SG-CA 3.57Å; C226-Q254 PolarHBondContact SG-N 3.45Å; S241-Q254 WeakPolarHBondContact CB-O 3.03Å; S241-Q254 PolarHBondContact N-O 2.94Å; S241-Q254 PolarHBondContact OG-N 3.4Å; S241-Q254 VanDerWaalsContact OG-N 3.11Å; S241-Q254 PolarHBondContact OG-O 2.84Å; S252-Q254 PolarHBondContact O-N 2.98Å; Q254-V256 PolarHBondContact O-N 3.46Å
255	C	93.7	Very high	79.2	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.007	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	126	174.5	-74.5	0	0	0	0	111.4	V220 I222 G223 M224 C226 C233	V220-C255 VanDerWaalsContact CG2-SG 3.56Å; I222-C255 HydrophobicContact CD1-CB 4.48Å; G223-C255 PolarHBondContact N-O 3.16Å; M224-C255 PolarHBondContact O-N 2.9Å; C226-C255 WeakPolarHBondContact CB-SG 3.47Å; C233-C255 WeakPolarHBondContact CA-SG 3.37Å; C233-C255 HydrophobicContact CB-CB 3.85Å; C233-C255 WeakPolarHBondContact CB-SG 3.48Å; C233-C255 VanDerWaalsContact SG-CA 3.56Å; C233-C255 WeakPolarHBondContact SG-CB 3.39Å; C233-C255 CovalentContact SG-SG 2.03Å; C233-C255 PolarHBondContact SG-SG 2.85Å
256	V	92.9	Very high	80.9	Confident	64 Å²	64	62 Å²	62	39%	0.388	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	142.9	-178.7	-174.8	0	0	0	0	108.8	A238 F239 Q254	A238-V256 CarbonylContact C-O 3.5Å; A238-V256 VanDerWaalsContact CA-O 3.29Å; A238-V256 WeakPolarHBondContact CA-O 3.14Å; F239-V256 WeakPolarHBondContact CD1-O 3.3Å; F239-V256 HydrophobicContact CE1-CB 4.46Å; F239-V256 PolarHBondContact N-O 2.93Å; F239-V256 PolarHBondContact O-N 3.35Å; Q254-V256 PolarHBondContact O-N 3.46Å
257	C	93.5	Very high	82.1	Confident	12 Å²	12	64.5 Å²	64.5	8%	0.081	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	144.3	172.7	-64.5	0	0	0	0	111.4	F239 P263 C274	F239-C257 WeakPolarHBondContact CE1-O 3.03Å; C257-P263 VanDerWaalsContact SG-N 3.42Å; C257-C274 WeakPolarHBondContact CA-SG 3.24Å; C257-C274 HydrophobicContact CB-CB 3.72Å; C257-C274 WeakPolarHBondContact CB-SG 3.33Å; C257-C274 WeakPolarHBondContact SG-CB 3.43Å; C257-C274 CovalentContact SG-SG 2.03Å; C257-C274 PolarHBondContact SG-SG 2.03Å
258	Q	90.8	Very high	83.7	Confident	79 Å²	79	64.5 Å²	64.5	37%	0.369	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-56.6	150.6	169.2	-71.2	172.1	31	0	0	111	N237 F239 G260 Y261	N237-Q258 WeakPolarHBondContact O-CB 3.47Å; N237-Q258 VanDerWaalsContact O-CG 3.27Å; N237-Q258 WeakPolarHBondContact O-CG 3.18Å; N237-Q258 PolarHBondContact O-N 2.83Å; F239-Q258 HydrophobicContact CD1-CG 4Å; Q258-G260 PolarHBondContact O-N 3.49Å; Q258-Y261 HydrophobicContact CB-CD2 3.82Å; Q258-Y261 HydrophobicContact CB-CE2 4.24Å; Q258-Y261 WeakPolarHBondContact O-CB 3.24Å; Q258-Y261 PolarHBondContact O-N 3.4Å
259	D	85.7	Confident	85.3	Confident	126 Å²	126	57.7 Å²	57.7	67%	0.674	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	133.7	178.3	-68.5	-32.1	0	0	0	110.9	Y261 R280	D259-Y261 VanDerWaalsContact C-N 3.31Å; D259-R280 PolarHBondContact O-NH1 2.96Å; D259-R280 PolarHBondContact O-NH2 2.89Å
260	G	85	Confident	87	Confident	26 Å²	26	58.8 Å²	58.8	27%	0.268	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	3.9	-177.9	0	0	0	0	0	115.5	Q258 A277	Q258-G260 PolarHBondContact O-N 3.49Å; G260-A277 WeakPolarHBondContact O-CB 3.24Å; G260-A277 PolarHBondContact O-N 2.95Å
261	Y	89.6	Confident	88	Confident	67 Å²	67	52.3 Å²	52.3	26%	0.263	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	152.3	165.8	-65	-104.6	0	0	0	110.3	N237 Q258 D259 C274 I275 P276	N237-Y261 HydrophobicContact CB-CD1 3.85Å; N237-Y261 HydrophobicContact CB-CE1 3.94Å; N237-Y261 HydrophobicContact CB-CG 4.31Å; Q258-Y261 HydrophobicContact CB-CD2 3.82Å; Q258-Y261 HydrophobicContact CB-CE2 4.24Å; Q258-Y261 WeakPolarHBondContact O-CB 3.24Å; Q258-Y261 PolarHBondContact O-N 3.4Å; D259-Y261 VanDerWaalsContact C-N 3.31Å; Y261-C274 WeakPolarHBondContact CD1-O 3.19Å; Y261-I275 CarbonylContact C-O 3.55Å; Y261-I275 WeakPolarHBondContact CA-O 3.29Å; Y261-P276 HydrophobicContact CD1-CB 4.13Å; Y261-P276 HydrophobicContact CE1-CB 3.97Å; Y261-P276 HydrophobicContact CE1-CG 4.28Å
262	L	89.9	Confident	88.9	Confident	59 Å²	59	53 Å²	53	31%	0.309	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.3	177.7	-67.7	170.8	0	0	0	109.8	V264 C274 I275 A277 V294	L262-V264 PolarHBondContact O-N 3.45Å; L262-C274 WeakPolarHBondContact O-CA 3.19Å; L262-I275 PolarHBondContact N-O 3.24Å; L262-I275 PolarHBondContact O-N 2.84Å; L262-A277 HydrophobicContact CD1-CB 3.95Å; L262-A277 HydrophobicContact CG-CB 4.1Å; L262-V294 HydrophobicContact CD1-CG1 4.29Å
263	P	92	Very high	89.3	Confident	61 Å²	61	51.2 Å²	51.2	40%	0.396	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	123.9	175	28.8	-32	0	0	0	109.8	I222 C257 Y272	I222-P263 HydrophobicContact CG1-CB 4.36Å; I222-P263 HydrophobicContact CG2-CB 4.13Å; C257-P263 VanDerWaalsContact SG-N 3.42Å; P263-Y272 HydrophobicContact CB-CD1 4.06Å; P263-Y272 HydrophobicContact CB-CG 4.41Å
264	V	89.5	Confident	89.5	Confident	41 Å²	41	49.9 Å²	49.9	25%	0.248	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	122.3	177.7	177.7	0	0	0	0	108.5	L262 E273 I275 V294	L262-V264 PolarHBondContact O-N 3.45Å; V264-E273 PolarHBondContact N-O 3.37Å; V264-E273 PolarHBondContact O-N 3.44Å; V264-I275 HydrophobicContact CB-CD1 3.91Å; V264-I275 HydrophobicContact CB-CG1 4.4Å; V264-I275 HydrophobicContact CG1-CD1 4.18Å; V264-I275 HydrophobicContact CG2-CB 4.41Å; V264-I275 HydrophobicContact CG2-CD1 4.31Å; V264-V294 HydrophobicContact CG2-CG1 4.25Å; V264-V294 HydrophobicContact CG2-CG2 4.04Å
265	Y	90.8	Very high	89.3	Confident	91 Å²	91	47.3 Å²	47.3	36%	0.357	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	132.9	178.2	-166.7	-104	0	0	0	110.4	D267 D270 Y272	Y265-D267 WeakPolarHBondContact CD1-OD1 3.4Å; Y265-D270 PolarHBondContact OH-OD1 3.12Å; Y265-Y272 HydrophobicContact CD2-CD1 4.38Å; Y265-Y272 HydrophobicContact CD2-CD2 4.09Å; Y265-Y272 HydrophobicContact CD2-CE1 4.28Å; Y265-Y272 AromaticContact CD2-CE2 3.98Å; Y265-Y272 HydrophobicContact CD2-CE2 3.98Å; Y265-Y272 HydrophobicContact CD2-CG 4.29Å; Y265-Y272 HydrophobicContact CG-CE1 4.48Å
266	Q	87.4	Confident	88.8	Confident	8 Å²	8	49 Å²	49	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	105.7	177.2	-66.9	-66.5	-31.9	0	0	108.8	Y268 L269 D270 Y271 E273	Q266-Y268 PolarHBondContact O-N 3.42Å; Q266-L269 HydrophobicContact CB-CB 3.98Å; Q266-L269 HydrophobicContact CB-CD1 4.13Å; Q266-L269 HydrophobicContact CB-CG 4.18Å; Q266-L269 HydrophobicContact CG-CD1 4.4Å; Q266-L269 PolarHBondContact O-N 3.46Å; Q266-D270 PolarHBondContact O-N 3.38Å; Q266-Y271 PolarHBondContact N-O 3.19Å; Q266-E273 HydrophobicContact CG-CB 4.15Å
267	D	86	Confident	88.2	Confident	89 Å²	89	46.8 Å²	46.8	48%	0.476	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.3	-171.6	-54.2	-45.3	0	0	0	112.9	N79 Y265	N79-D267 PolarHBondContact ND2-N 2.94Å; N79-D267 PolarHBondContact ND2-OD2 3Å; N79-D267 WeakPolarHBondContact OD1-CB 3.39Å; N79-D267 PolarHBondContact OD1-N 2.98Å; Y265-D267 WeakPolarHBondContact CD1-OD1 3.4Å
268	Y	85.8	Confident	87.1	Confident	53 Å²	53	47.8 Å²	47.8	21%	0.208	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-20.6	176.9	-55.9	-46.8	0	0	0	114.4	Y60 L76 T78 N79 Q266	Y60-Y268 HydrophobicContact CE1-CD1 4.33Å; Y60-Y268 HydrophobicContact CE1-CE1 4.38Å; L76-Y268 HydrophobicContact CB-CD1 4.27Å; L76-Y268 HydrophobicContact CB-CD2 3.61Å; L76-Y268 HydrophobicContact CB-CE2 4.12Å; L76-Y268 HydrophobicContact CB-CG 3.69Å; L76-Y268 HydrophobicContact CD1-CD1 4.15Å; L76-Y268 HydrophobicContact CD1-CD2 4.27Å; L76-Y268 HydrophobicContact CD1-CE1 3.88Å; L76-Y268 HydrophobicContact CD1-CE2 4.02Å; L76-Y268 HydrophobicContact CD1-CG 4.33Å; L76-Y268 WeakPolarHBondContact O-CB 3.13Å; T78-Y268 VanDerWaalsContact O-CD2 3.24Å; T78-Y268 WeakPolarHBondContact O-CD2 3.44Å; T78-Y268 VanDerWaalsContact O-CE2 3.24Å; T78-Y268 WeakPolarHBondContact O-CE2 3.37Å; N79-Y268 PolarHBondContact OD1-N 3.33Å; Q266-Y268 PolarHBondContact O-N 3.42Å
269	L	85.4	Confident	85.7	Confident	10 Å²	10	50.3 Å²	50.3	5%	0.052	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-20.8	179	-64.9	-176.7	0	0	0	113	L77 Y111 R234 Q266 Y271	L77-L269 HydrophobicContact CD2-CD2 4.31Å; L77-L269 VanDerWaalsContact O-CD1 3.3Å; L77-L269 WeakPolarHBondContact O-CD1 3.34Å; Y111-L269 HydrophobicContact CD1-CD2 4.31Å; Y111-L269 HydrophobicContact CE1-CD2 3.62Å; R234-L269 PolarHBondContact NH2-O 3.25Å; Q266-L269 HydrophobicContact CB-CB 3.98Å; Q266-L269 HydrophobicContact CB-CD1 4.13Å; Q266-L269 HydrophobicContact CB-CG 4.18Å; Q266-L269 HydrophobicContact CG-CD1 4.4Å; Q266-L269 PolarHBondContact O-N 3.46Å; L269-Y271 HydrophobicContact CB-CD1 3.73Å; L269-Y271 HydrophobicContact CB-CE1 3.59Å; L269-Y271 HydrophobicContact CD1-CE1 3.79Å; L269-Y271 HydrophobicContact CG-CE1 4.26Å
270	D	87.5	Confident	84.2	Confident	104 Å²	104	51.4 Å²	51.4	56%	0.556	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	51.8	-179.6	-162.2	29.3	0	0	0	113	R234 Y265 Q266	R234-D270 PolarHBondContact NH1-O 3.48Å; Y265-D270 PolarHBondContact OH-OD1 3.12Å; Q266-D270 PolarHBondContact O-N 3.38Å
271	Y	89.6	Confident	82.9	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	173.3	167.8	73	-83	0	0	0	112.7	Y111 Q116 D221 R234 Q266 L269 E273	Y111-Y271 PolarHBondContact OH-OH 2.92Å; Q116-Y271 PolarHBondContact OE1-OH 2.85Å; Q116-Y271 VanDerWaalsContact OE1-OH 3.11Å; D221-Y271 WeakPolarHBondContact OD2-CA 3.45Å; D221-Y271 WeakPolarHBondContact OD2-CB 3.26Å; R234-Y271 HydrophobicContact CB-CD2 4.3Å; R234-Y271 HydrophobicContact CG-CD1 4.26Å; R234-Y271 HydrophobicContact CG-CD2 3.94Å; R234-Y271 HydrophobicContact CG-CE1 4.32Å; R234-Y271 HydrophobicContact CG-CE2 4.08Å; R234-Y271 HydrophobicContact CG-CG 4.07Å; R234-Y271 VanDerWaalsContact NE-CD1 3.32Å; R234-Y271 VanDerWaalsContact NH2-CD1 3.33Å; Q266-Y271 PolarHBondContact N-O 3.19Å; L269-Y271 HydrophobicContact CB-CD1 3.73Å; L269-Y271 HydrophobicContact CB-CE1 3.59Å; L269-Y271 HydrophobicContact CD1-CE1 3.79Å; L269-Y271 HydrophobicContact CG-CE1 4.26Å; Y271-E273 HydrophobicContact CE2-CB 4.14Å; Y271-E273 WeakPolarHBondContact CE2-OE2 3.36Å; Y271-E273 PolarHBondContact OH-OE2 2.03Å
272	Y	92	Very high	81	Confident	93 Å²	93	58.5 Å²	58.5	37%	0.365	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	111	172.4	-70.9	-86	0	0	0	112.6	D221 I222 P263 Y265	D221-Y272 PolarHBondContact OD1-N 2.92Å; D221-Y272 WeakPolarHBondContact OD2-CD2 3.41Å; D221-Y272 PolarHBondContact OD2-N 3.22Å; D221-Y272 VanDerWaalsContact OD2-N 3.09Å; I222-Y272 WeakPolarHBondContact CG1-O 3.47Å; P263-Y272 HydrophobicContact CB-CD1 4.06Å; P263-Y272 HydrophobicContact CB-CG 4.41Å; Y265-Y272 HydrophobicContact CD2-CD1 4.38Å; Y265-Y272 HydrophobicContact CD2-CD2 4.09Å; Y265-Y272 HydrophobicContact CD2-CE1 4.28Å; Y265-Y272 AromaticContact CD2-CE2 3.98Å; Y265-Y272 HydrophobicContact CD2-CE2 3.98Å; Y265-Y272 HydrophobicContact CD2-CG 4.29Å; Y265-Y272 HydrophobicContact CG-CE1 4.48Å
273	E	90.1	Very high	78.6	Confident	6 Å²	6	60.2 Å²	60.2	3%	0.028	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	139.6	169.5	-172.9	54.8	-117.2	0	0	110.7	Q116 S235 V264 Q266 Y271 I275	Q116-E273 PolarHBondContact NE2-OE2 3Å; Q116-E273 VanDerWaalsContact NE2-OE2 3.15Å; S235-E273 WeakPolarHBondContact CB-OE1 3.38Å; S235-E273 PolarHBondContact OG-OE1 2.81Å; V264-E273 PolarHBondContact N-O 3.37Å; V264-E273 PolarHBondContact O-N 3.44Å; Q266-E273 HydrophobicContact CG-CB 4.15Å; Y271-E273 HydrophobicContact CE2-CB 4.14Å; Y271-E273 WeakPolarHBondContact CE2-OE2 3.36Å; Y271-E273 PolarHBondContact OH-OE2 2.03Å; E273-I275 HydrophobicContact CG-CG1 4.38Å; E273-I275 PolarHBondContact O-N 3Å
274	C	91.2	Very high	76.2	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.007	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	107.6	177.1	-66.8	0	0	0	0	110	I222 S235 N237 C257 Y261 L262	I222-C274 WeakPolarHBondContact CD1-SG 3.33Å; S235-C274 WeakPolarHBondContact OG-CB 3.01Å; S235-C274 PolarHBondContact OG-N 2.9Å; S235-C274 VanDerWaalsContact OG-N 3.09Å; N237-C274 HydrophobicContact CB-CB 3.71Å; N237-C274 WeakPolarHBondContact CB-O 3.32Å; N237-C274 PolarHBondContact ND2-O 3.32Å; N237-C274 VanDerWaalsContact ND2-O 3.1Å; C257-C274 WeakPolarHBondContact CA-SG 3.24Å; C257-C274 HydrophobicContact CB-CB 3.72Å; C257-C274 WeakPolarHBondContact CB-SG 3.33Å; C257-C274 WeakPolarHBondContact SG-CB 3.43Å; C257-C274 CovalentContact SG-SG 2.03Å; C257-C274 PolarHBondContact SG-SG 2.03Å; Y261-C274 WeakPolarHBondContact CD1-O 3.19Å; L262-C274 WeakPolarHBondContact O-CA 3.19Å
275	I	86.8	Confident	73.8	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.015	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	138	-175.1	-65.2	-177.6	0	0	0	110.3	Y90 Y261 L262 V264 E273 A277 V294	Y90-I275 HydrophobicContact CD1-CD1 4.5Å; Y90-I275 HydrophobicContact CE1-CD1 4.15Å; Y90-I275 HydrophobicContact CE1-CG1 4.32Å; Y90-I275 HydrophobicContact CE1-CG2 3.67Å; Y261-I275 CarbonylContact C-O 3.55Å; Y261-I275 WeakPolarHBondContact CA-O 3.29Å; L262-I275 PolarHBondContact N-O 3.24Å; L262-I275 PolarHBondContact O-N 2.84Å; V264-I275 HydrophobicContact CB-CD1 3.91Å; V264-I275 HydrophobicContact CB-CG1 4.4Å; V264-I275 HydrophobicContact CG1-CD1 4.18Å; V264-I275 HydrophobicContact CG2-CB 4.41Å; V264-I275 HydrophobicContact CG2-CD1 4.31Å; E273-I275 HydrophobicContact CG-CG1 4.38Å; E273-I275 PolarHBondContact O-N 3Å; I275-A277 PolarHBondContact O-N 3.43Å; I275-V294 HydrophobicContact CB-CG2 4.12Å; I275-V294 HydrophobicContact CD1-CG2 4.42Å; I275-V294 HydrophobicContact CG2-CB 4.06Å; I275-V294 HydrophobicContact CG2-CG2 3.45Å; I275-V294 VanDerWaalsContact CG2-CG2 3.45Å
276	P	84.1	Confident	71.5	Confident	37 Å²	37	75 Å²	75	24%	0.24	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	132.9	-177.9	23.1	-34.7	0	0	0	112.6	Y261 V294	Y261-P276 HydrophobicContact CD1-CB 4.13Å; Y261-P276 HydrophobicContact CE1-CB 3.97Å; Y261-P276 HydrophobicContact CE1-CG 4.28Å; P276-V294 PolarHBondContact O-N 3.48Å
277	A	80.8	Confident	69.3	Low	17 Å²	17	82.4 Å²	82.4	14%	0.14	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-75.1	141.8	175	0	0	0	0	0	111	G260 L262 I275 N279 R280 V294	G260-A277 WeakPolarHBondContact O-CB 3.24Å; G260-A277 PolarHBondContact O-N 2.95Å; L262-A277 HydrophobicContact CD1-CB 3.95Å; L262-A277 HydrophobicContact CG-CB 4.1Å; I275-A277 PolarHBondContact O-N 3.43Å; A277-N279 PolarHBondContact O-N 3.47Å; A277-R280 PolarHBondContact O-N 2.86Å; A277-V294 WeakPolarHBondContact CA-O 3.47Å
278	C	70.1	Confident	67	Low	32 Å²	32	83.4 Å²	83.4	22%	0.216	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-51.6	-29.4	-176.6	-83.6	0	0	0	0	115.6	R280 C281 C293 V294 C295	C278-R280 PolarHBondContact O-N 3.29Å; C278-R280 VanDerWaalsContact O-N 3.11Å; C278-C281 WeakPolarHBondContact O-CB 3.06Å; C278-C281 PolarHBondContact O-N 3.09Å; C278-C293 HydrophobicContact CB-CB 4.45Å; C278-C293 VanDerWaalsContact SG-CB 3.59Å; C278-V294 PolarHBondContact N-O 3.17Å; C278-C295 HydrophobicContact CB-CB 3.9Å; C278-C295 WeakPolarHBondContact CB-SG 3.19Å; C278-C295 WeakPolarHBondContact SG-CA 3.43Å; C278-C295 WeakPolarHBondContact SG-CB 3.44Å; C278-C295 PolarHBondContact SG-N 3.05Å; C278-C295 CovalentContact SG-SG 2.03Å; C278-C295 PolarHBondContact SG-SG 3Å
279	N	59.9	Low	65	Low	132 Å²	132	87.4 Å²	87.4	71%	0.706	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-66.2	-9.5	178.7	-66.5	4.4	0	0	0	114.1	A277 Y282	A277-N279 PolarHBondContact O-N 3.47Å; N279-Y282 WeakPolarHBondContact O-CE2 3.49Å
280	R	56	Low	63.1	Low	150 Å²	150	93.7 Å²	93.7	57%	0.566	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-107.9	1.8	170.3	-70.7	-162.8	179.5	176.3	7.4	113.9	D259 A277 C278 Y282	D259-R280 PolarHBondContact O-NH1 2.96Å; D259-R280 PolarHBondContact O-NH2 2.89Å; A277-R280 PolarHBondContact O-N 2.86Å; C278-R280 PolarHBondContact O-N 3.29Å; C278-R280 VanDerWaalsContact O-N 3.11Å; R280-Y282 PolarHBondContact O-N 3.25Å
281	C	56.7	Low	61.4	Low	49 Å²	49	96.1 Å²	96.1	33%	0.331	46%	0.46	S	S	.	.			trans	-86.5	60.5	178.5	-58.5	0	0	0	0	110.8	C278 C293	C278-C281 WeakPolarHBondContact O-CB 3.06Å; C278-C281 PolarHBondContact O-N 3.09Å; C281-C293 HydrophobicContact CB-CB 4Å; C281-C293 WeakPolarHBondContact CB-SG 3.36Å; C281-C293 WeakPolarHBondContact SG-CB 3.3Å; C281-C293 CovalentContact SG-SG 2.02Å; C281-C293 PolarHBondContact SG-SG 2.98Å
282	Y	49	Very low	59.9	Low	192 Å²	192	99.2 Å²	99.2	75%	0.753	48%	0.475	S	S	*	.			trans	-77.4	125.5	-179.5	-81.9	-78.7	0	0	0	111.6	N279 R280	N279-Y282 WeakPolarHBondContact O-CE2 3.49Å; R280-Y282 PolarHBondContact O-N 3.25Å
283	S	40.7	Very low	58.3	Low	96 Å²	96	96.3 Å²	96.3	67%	0.671	47%	0.467	S	S	*	.			trans	50.2	106.9	165.7	51.9	0	0	0	0	117.6	E285	S283-E285 PolarHBondContact O-N 3.04Å
284	I	40.8	Very low	56.8	Low	149 Å²	149	98 Å²	98	76%	0.764	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	11.9	-177.3	-73.1	160.4	0	0	0	114.9
285	E	40.4	Very low	54.9	Low	185 Å²	185	100.9 Å²	100.9	86%	0.864	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-14.9	-168.7	-66	-171.1	162.2	0	0	115.8	S283	S283-E285 PolarHBondContact O-N 3.04Å
286	Q	41.6	Very low	53.2	Low	168 Å²	168	104.1 Å²	104.1	79%	0.785	52%	0.519	S	S	*	.	S	Bend	trans	-105.5	-24.9	-178.6	-74.4	-172.5	-16.8	0	0	115.6
287	Y	41.9	Very low	51.3	Low	165 Å²	165	110.9 Å²	110.9	65%	0.647	55%	0.547	S	S	*	.			trans	-144.5	107.3	176.9	-69.3	-80.7	0	0	0	111.5	R289	Y287-R289 PolarHBondContact O-N 2.88Å
288	P	36.7	Very low	49.2	Very low	109 Å²	109	114.6 Å²	114.6	71%	0.708	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-2.6	-180	27.1	-34.5	0	0	0	114.4
289	R	43.7	Very low	47.5	Very low	137 Å²	137	117.8 Å²	117.8	52%	0.517	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.6	21.6	-177	-54.4	-168.7	-170.5	-178.4	6.5	114.7	V89 Y287 E825	V89-R289 WeakPolarHBondContact CG1-O 3.39Å; Y287-R289 PolarHBondContact O-N 2.88Å; R289-E825 IonicContact CZ-OE1 3.58Å; R289-E825 IonicContact CZ-OE2 3.02Å; R289-E825 IonicContact NE-OE1 2.68Å; R289-E825 IonicContact NE-OE2 2.77Å; R289-E825 IonicContact NH2-OE1 2.78Å; R289-E825 PolarHBondContact NH2-OE1 3.33Å; R289-E825 IonicContact NH2-OE2 2.65Å; R289-E825 PolarHBondContact NH2-OE2 3.08Å
290	Q	46.3	Very low	46.3	Very low	143 Å²	143	123.2 Å²	123.2	67%	0.668	59%	0.592	S	S	*	*			trans	-120.5	59.2	176	-73.2	-171.1	-18	0	0	111.9
291	K	51.4	Low	45.1	Very low	155 Å²	155	123.9 Å²	123.9	67%	0.674	60%	0.602	S	S	*	*			trans	-85.1	-11.9	-178.4	-80.3	-177.6	179.5	170.3	0	115.4
292	H	58.4	Low	43.7	Very low	65 Å²	65	128.7 Å²	128.7	30%	0.301	63%	0.625	S	S	.	*			trans	-120.6	93.4	-172.5	-59	-33.4	0	0	0	110.8	V89 Y90	V89-H292 HydrophobicContact CG2-CB 4.15Å; Y90-H292 HydrophobicContact CE1-CB 4.27Å; Y90-H292 WeakPolarHBondContact CE1-O 3.46Å; Y90-H292 HydrophobicContact CE2-CB 4Å; Y90-H292 VanDerWaalsContact OH-CB 3.22Å; Y90-H292 WeakPolarHBondContact OH-CB 3.29Å; Y90-H292 PolarHBondContact OH-O 3.28Å
293	C	58.5	Low	42.9	Very low	31 Å²	31	131 Å²	131	21%	0.209	63%	0.632	C	S	.	*			trans	-108.8	140.8	167.3	-61	0	0	0	0	108.3	C278 C281 C295	C278-C293 HydrophobicContact CB-CB 4.45Å; C278-C293 VanDerWaalsContact SG-CB 3.59Å; C281-C293 HydrophobicContact CB-CB 4Å; C281-C293 WeakPolarHBondContact CB-SG 3.36Å; C281-C293 WeakPolarHBondContact SG-CB 3.3Å; C281-C293 CovalentContact SG-SG 2.02Å; C281-C293 PolarHBondContact SG-SG 2.98Å; C293-C295 PolarHBondContact O-N 3.09Å
294	V	58.2	Low	42.3	Very low	42 Å²	42	134.2 Å²	134.2	26%	0.255	64%	0.64	S	S	.	*	B	Isolated β-bridge	trans	-79.6	97.3	174.9	170.9	0	0	0	0	107.3	L262 V264 I275 P276 A277 C278 P296	L262-V294 HydrophobicContact CD1-CG1 4.29Å; V264-V294 HydrophobicContact CG2-CG1 4.25Å; V264-V294 HydrophobicContact CG2-CG2 4.04Å; I275-V294 HydrophobicContact CB-CG2 4.12Å; I275-V294 HydrophobicContact CD1-CG2 4.42Å; I275-V294 HydrophobicContact CG2-CB 4.06Å; I275-V294 HydrophobicContact CG2-CG2 3.45Å; I275-V294 VanDerWaalsContact CG2-CG2 3.45Å; P276-V294 PolarHBondContact O-N 3.48Å; A277-V294 WeakPolarHBondContact CA-O 3.47Å; C278-V294 PolarHBondContact N-O 3.17Å; V294-P296 VanDerWaalsContact O-CD 3.31Å; V294-P296 WeakPolarHBondContact O-CD 3.06Å
295	C	51	Low	41.7	Very low	62 Å²	62	135.5 Å²	135.5	42%	0.419	64%	0.642	S	S	.	*			trans	-72.5	119.1	159.5	-68.6	0	0	0	0	105.5	C278 C293 E297	C278-C295 HydrophobicContact CB-CB 3.9Å; C278-C295 WeakPolarHBondContact CB-SG 3.19Å; C278-C295 WeakPolarHBondContact SG-CA 3.43Å; C278-C295 WeakPolarHBondContact SG-CB 3.44Å; C278-C295 PolarHBondContact SG-N 3.05Å; C278-C295 CovalentContact SG-SG 2.03Å; C278-C295 PolarHBondContact SG-SG 3Å; C293-C295 PolarHBondContact O-N 3.09Å; C295-E297 PolarHBondContact O-N 3Å
296	P	51.4	Low	41.1	Very low	71 Å²	71	135 Å²	135	46%	0.461	64%	0.637	S	S	.	*			trans	-50.6	136.1	146.5	26.2	-33.2	0	0	0	106.7	V294 I298	V294-P296 VanDerWaalsContact O-CD 3.31Å; V294-P296 WeakPolarHBondContact O-CD 3.06Å; P296-I298 PolarHBondContact O-N 2.9Å
297	E	44.2	Very low	40.4	Very low	179 Å²	179	133.7 Å²	133.7	84%	0.836	64%	0.64	S	S	*	*	S	Bend	trans	-68	68.2	-174.3	-76.2	-167.6	126	0	0	112.7	C295	C295-E297 PolarHBondContact O-N 3Å
298	I	36.9	Very low	39.7	Very low	94 Å²	94	135 Å²	135	48%	0.482	65%	0.645	S	S	.	*			trans	-150.7	136.5	177.6	-45.9	-177.8	0	0	0	106.1	P296 F344	P296-I298 PolarHBondContact O-N 2.9Å; I298-F344 HydrophobicContact CG2-CD1 3.37Å; I298-F344 HydrophobicContact CG2-CE1 3.26Å; I298-F344 HydrophobicContact CG2-CG 4.15Å; I298-F344 HydrophobicContact CG2-CZ 3.95Å
299	V	34.9	Very low	39.1	Very low	99 Å²	99	138.5 Å²	138.5	60%	0.6	65%	0.652	S	S	*	*			trans	70.9	60.8	177.7	-152.2	0	0	0	0	116.7	Q301 F344	V299-Q301 HydrophobicContact CG1-CG 4.49Å; V299-F344 HydrophobicContact CG2-CE1 4.24Å; V299-F344 HydrophobicContact CG2-CZ 4.45Å
300	R	33.2	Very low	38.4	Very low	246 Å²	246	138 Å²	138	93%	0.928	66%	0.659	S	S	*	*			trans	-90.1	112.6	135	-91.3	-171.5	176.5	171.8	1.6	108.6
301	Q	30.7	Very low	37.6	Very low	165 Å²	165	135.4 Å²	135.4	77%	0.771	66%	0.656	S	S	*	*			trans	-56.8	160	161.8	-70.1	167.6	-32	0	0	109.7	V299	V299-Q301 HydrophobicContact CG1-CG 4.49Å
302	N	27.9	Very low	36.5	Very low	150 Å²	150	137.6 Å²	137.6	80%	0.802	67%	0.666	S	S	*	*			trans	88.4	62.4	178.2	-50	-25.2	0	0	0	117.5
303	R	32	Very low	35	Very low	239 Å²	239	141.5 Å²	141.5	90%	0.902	69%	0.689	S	S	*	*				-166.3	97.4	124	-102.4	164.5	-164.2	-159.2	4	110.2	H305	R303-H305 PolarHBondContact O-N 2.03Å
304	I	27.7	Very low	33.7	Very low	164 Å²	164	145 Å²	145	84%	0.841	70%	0.704	S	S	*	*			trans	-72.3	109.7	-175.6	-59.5	167	0	0	0	109.7
305	H	29.4	Very low	32.4	Very low	177 Å²	177	151.5 Å²	151.5	82%	0.819	73%	0.732	S	S	*	*			trans	-109	110.1	157.2	-87.3	-84.3	0	0	0	108.7	R303 V307	R303-H305 PolarHBondContact O-N 2.03Å; H305-V307 PolarHBondContact O-N 3.09Å
306	K	26.4	Very low	31.4	Very low	175 Å²	175	154.3 Å²	154.3	76%	0.761	74%	0.743	S	S	*	*			trans	2.7	95.6	174.1	-68.7	-178.5	174.4	-178.4	0	116.2
307	V	27.9	Very low	30.3	Very low	139 Å²	139	159.2 Å²	159.2	84%	0.842	77%	0.765	S	S	*	*			trans	-75.4	125.7	156.3	178.4	0	0	0	0	107.3	H305	H305-V307 PolarHBondContact O-N 3.09Å
308	Y	26.3	Very low	29.4	Very low	193 Å²	193	156.4 Å²	156.4	76%	0.757	76%	0.755	S	S	*	*			trans	-79.4	124.2	173.3	-80.2	-98.2	0	0	0	109.6	I310	Y308-I310 PolarHBondContact O-N 3.43Å
309	E	25.3	Very low	28.9	Very low	183 Å²	183	159 Å²	159	86%	0.855	76%	0.763	S	S	*	*			trans	-76.4	99.3	172.8	-173.4	173.7	-151.4	0	0	109.2	S311	E309-S311 PolarHBondContact O-N 2.97Å; E309-S311 VanDerWaalsContact O-N 3.15Å
310	I	29.4	Very low	28.4	Very low	127 Å²	127	162.4 Å²	162.4	65%	0.651	77%	0.772	S	S	*	*			trans	-79.7	94.4	168.2	-60.4	179.5	0	0	0	106.8	Y308 I314	Y308-I310 PolarHBondContact O-N 3.43Å; I310-I314 HydrophobicContact CG2-CD1 3.7Å; I310-I314 HydrophobicContact CG2-CG1 4.42Å
311	S	27.8	Very low	28.3	Very low	88 Å²	88	157.4 Å²	157.4	62%	0.615	76%	0.757	S	S	*	*			trans	-68.3	161.1	179.9	61	0	0	0	0	112.1	E309 N313	E309-S311 PolarHBondContact O-N 2.97Å; E309-S311 VanDerWaalsContact O-N 3.15Å; S311-N313 PolarHBondContact O-N 3.31Å
312	K	28.6	Very low	28.2	Very low	200 Å²	200	154.7 Å²	154.7	87%	0.87	76%	0.756	S	S	*	*	S	Bend	trans	-58.7	89.1	-177.5	-68.3	177.1	173.2	178.3	0	112.5
313	N	28	Very low	28.1	Very low	148 Å²	148	157.4 Å²	157.4	79%	0.791	76%	0.755	S	S	*	*			trans	-177.1	85.5	152.5	-97.6	-15.1	0	0	0	110.6	S311	S311-N313 PolarHBondContact O-N 3.31Å
314	I	31.5	Very low	28	Very low	103 Å²	103	151.1 Å²	151.1	53%	0.528	74%	0.744	S	S	.	*			trans	-127.6	98.3	161.2	-62.2	-177.7	0	0	0	106.2	I310 D316	I310-I314 HydrophobicContact CG2-CD1 3.7Å; I310-I314 HydrophobicContact CG2-CG1 4.42Å; I314-D316 WeakPolarHBondContact CG2-O 3.04Å
315	Q	30	Very low	28.1	Very low	179 Å²	179	153 Å²	153	84%	0.836	75%	0.749	S	S	*	*			trans	-94.1	-4.3	-175.8	-148.6	166.6	4.6	0	0	112.4
316	D	30.3	Very low	28.2	Very low	121 Å²	121	151 Å²	151	65%	0.647	74%	0.74	S	S	*	*	S	Bend	trans	-129.2	132.7	-179	-61.9	-65.4	0	0	0	110.4	I314 I318	I314-D316 WeakPolarHBondContact CG2-O 3.04Å; D316-I318 VanDerWaalsContact C-N 3.25Å; D316-I318 PolarHBondContact O-N 2.93Å
317	N	28.1	Very low	28.4	Very low	175 Å²	175	144.8 Å²	144.8	94%	0.936	72%	0.715	S	S	*	*			trans	-74.2	60.3	-171.2	-68.8	-52	0	0	0	114.1
318	I	25.7	Very low	28.5	Very low	119 Å²	119	141.7 Å²	141.7	61%	0.61	69%	0.69	S	S	*	*			trans	-130	119.4	-176.6	-54.5	179.6	0	0	0	110.8	D316	D316-I318 VanDerWaalsContact C-N 3.25Å; D316-I318 PolarHBondContact O-N 2.93Å
319	F	26.3	Very low	28.6	Very low	149 Å²	149	134.8 Å²	134.8	65%	0.654	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-103.9	118.8	171.1	-78.5	-88.3	0	0	0	110.8	F321	F319-F321 HydrophobicContact CB-CE2 4.26Å
320	H	24.9	Very low	28.7	Very low	171 Å²	171	129 Å²	129	79%	0.792	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-87.3	123	169.1	-89.9	-83.2	0	0	0	111
321	F	29.5	Very low	28.6	Very low	140 Å²	140	127.3 Å²	127.3	61%	0.614	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-99.9	122.7	166.7	-76.1	-90	0	0	0	110.1	F319 F328 I330	F319-F321 HydrophobicContact CB-CE2 4.26Å; F321-F328 HydrophobicContact CD1-CE1 4.44Å; F321-F328 HydrophobicContact CD1-CE2 4.4Å; F321-F328 AromaticContact CD1-CZ 3.95Å; F321-F328 HydrophobicContact CD1-CZ 3.95Å; F321-F328 AromaticContact CE1-CE2 3.87Å; F321-F328 HydrophobicContact CE1-CE2 3.87Å; F321-F328 AromaticContact CE1-CZ 3.89Å; F321-F328 HydrophobicContact CE1-CZ 3.89Å; F321-F328 HydrophobicContact CZ-CE2 4.27Å; F321-I330 HydrophobicContact CE1-CD1 4.25Å; F321-I330 HydrophobicContact CZ-CD1 3.73Å
322	S	29.1	Very low	28.6	Very low	108 Å²	108	130.4 Å²	130.4	76%	0.755	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-98.8	148.9	172	64.3	0	0	0	0	111.8	T324	S322-T324 PolarHBondContact O-N 3.41Å; S322-T324 VanDerWaalsContact O-N 3.14Å
323	R	26.8	Very low	28.7	Very low	208 Å²	208	130.5 Å²	130.5	79%	0.785	64%	0.64	S	S	*	*			trans	-51.6	104.4	-165	-158	177.2	-165.2	154.5	8	114.1	E441	R323-E441 IonicContact CZ-OE1 2.81Å; R323-E441 IonicContact NH1-OE1 3.33Å; R323-E441 IonicContact NH1-OE2 3.82Å; R323-E441 IonicContact NH2-OE1 2.67Å; R323-E441 PolarHBondContact NH2-OE1 2.76Å; R323-E441 IonicContact NH2-OE2 3.9Å
324	T	30	Very low	28.9	Very low	107 Å²	107	128.8 Å²	128.8	66%	0.656	64%	0.637	S	S	*	*			trans	-128.9	140.1	166.1	60.4	0	0	0	0	111.4	S322 Q326	S322-T324 PolarHBondContact O-N 3.41Å; S322-T324 VanDerWaalsContact O-N 3.14Å; T324-Q326 VanDerWaalsContact C-N 3.26Å; T324-Q326 PolarHBondContact O-N 2.91Å; T324-Q326 VanDerWaalsContact O-N 3.16Å
325	Q	29.8	Very low	29	Very low	203 Å²	203	132.6 Å²	132.6	95%	0.949	65%	0.65	S	S	*	*	S	Bend	trans	-85.8	35.1	-171.9	-67.7	-174.6	-35	0	0	113.9
326	Q	31.6	Very low	29	Very low	134 Å²	134	131.7 Å²	131.7	63%	0.626	65%	0.648	S	S	*	*	S	Bend	trans	-136.3	134.5	-172.6	-66.5	-177.4	-8.3	0	0	111.6	T324 F328	T324-Q326 VanDerWaalsContact C-N 3.26Å; T324-Q326 PolarHBondContact O-N 2.91Å; T324-Q326 VanDerWaalsContact O-N 3.16Å; Q326-F328 PolarHBondContact O-N 2.86Å
327	N	30.9	Very low	29	Very low	46 Å²	46	131.1 Å²	131.1	25%	0.246	65%	0.648	C	S	.	*			trans	-65.5	128	173.9	-62.2	-31.4	0	0	0	109.1	T348 H403	N327-T348 PolarHBondContact ND2-O 3.1Å; N327-T348 VanDerWaalsContact ND2-O 3.14Å; N327-H403 PolarHBondContact OD1-NE2 2.77Å
328	F	29	Very low	29	Very low	73 Å²	73	129.4 Å²	129.4	32%	0.32	64%	0.639	S	S	.	*			trans	-103.7	178.9	171.7	43.7	-87.7	0	0	0	110.6	F321 Q326 I330 F353	F321-F328 HydrophobicContact CD1-CE1 4.44Å; F321-F328 HydrophobicContact CD1-CE2 4.4Å; F321-F328 AromaticContact CD1-CZ 3.95Å; F321-F328 HydrophobicContact CD1-CZ 3.95Å; F321-F328 AromaticContact CE1-CE2 3.87Å; F321-F328 HydrophobicContact CE1-CE2 3.87Å; F321-F328 AromaticContact CE1-CZ 3.89Å; F321-F328 HydrophobicContact CE1-CZ 3.89Å; F321-F328 HydrophobicContact CZ-CE2 4.27Å; Q326-F328 PolarHBondContact O-N 2.86Å; F328-I330 HydrophobicContact CD2-CD1 3.9Å; F328-I330 HydrophobicContact CD2-CG1 3.95Å; F328-I330 HydrophobicContact CE2-CD1 3.95Å; F328-I330 HydrophobicContact CE2-CG1 4.48Å; F328-F353 AromaticContact CD2-CE1 3.95Å; F328-F353 HydrophobicContact CD2-CE1 3.95Å; F328-F353 AromaticContact CD2-CZ 3.64Å; F328-F353 HydrophobicContact CD2-CZ 3.64Å; F328-F353 HydrophobicContact CE2-CE1 4.18Å; F328-F353 AromaticContact CE2-CZ 3.91Å; F328-F353 HydrophobicContact CE2-CZ 3.91Å; F328-F353 HydrophobicContact CG-CZ 4.2Å; F328-F353 VanDerWaalsContact O-CE2 3.28Å; F328-F353 WeakPolarHBondContact O-CE2 3.25Å; F328-F353 WeakPolarHBondContact O-CZ 3.45Å
329	T	28	Very low	29.3	Very low	48 Å²	48	131.5 Å²	131.5	29%	0.294	65%	0.646	S	S	.	*			trans	-149	133	166.4	-58	0	0	0	0	105.6
330	I	28.1	Very low	29.3	Very low	61 Å²	61	133.6 Å²	133.6	31%	0.313	66%	0.658	S	S	.	*			trans	-117.1	112.7	-173.5	-55.9	173	0	0	0	108	F321 F328 F332	F321-I330 HydrophobicContact CE1-CD1 4.25Å; F321-I330 HydrophobicContact CZ-CD1 3.73Å; F328-I330 HydrophobicContact CD2-CD1 3.9Å; F328-I330 HydrophobicContact CD2-CG1 3.95Å; F328-I330 HydrophobicContact CE2-CD1 3.95Å; F328-I330 HydrophobicContact CE2-CG1 4.48Å; I330-F332 HydrophobicContact CB-CE2 4.46Å; I330-F332 HydrophobicContact CG2-CD2 4.04Å; I330-F332 HydrophobicContact CG2-CE1 4.28Å; I330-F332 HydrophobicContact CG2-CE2 3.56Å; I330-F332 HydrophobicContact CG2-CZ 3.69Å
331	C	27.3	Very low	29.5	Very low	93 Å²	93	131 Å²	131	63%	0.628	66%	0.66	S	S	*	*			trans	-101.7	124.8	170	-61.2	0	0	0	0	108.5
332	F	27.9	Very low	29.4	Very low	152 Å²	152	128 Å²	128	67%	0.667	66%	0.655	S	S	*	*			trans	-94.9	126.4	175.4	-69.6	-85.2	0	0	0	110.2	I330 P334	I330-F332 HydrophobicContact CB-CE2 4.46Å; I330-F332 HydrophobicContact CG2-CD2 4.04Å; I330-F332 HydrophobicContact CG2-CE1 4.28Å; I330-F332 HydrophobicContact CG2-CE2 3.56Å; I330-F332 HydrophobicContact CG2-CZ 3.69Å; F332-P334 WeakPolarHBondContact O-CD 3.39Å
333	Y	29.8	Very low	29.3	Very low	202 Å²	202	129.1 Å²	129.1	79%	0.792	65%	0.652	S	S	*	*			trans	-98.1	109.7	162.4	-82.6	-85.1	0	0	0	108.6	F335	Y333-F335 PolarHBondContact O-N 3.37Å
334	P	32.6	Very low	29.5	Very low	113 Å²	113	124 Å²	124	73%	0.734	64%	0.635	S	S	*	*			trans	-77.6	115.4	174.9	29.4	-31.1	0	0	0	111	F332	F332-P334 WeakPolarHBondContact O-CD 3.39Å
335	F	32.6	Very low	29.3	Very low	183 Å²	183	126.6 Å²	126.6	80%	0.803	64%	0.642	S	S	*	*			trans	56.3	104	160.1	-76.2	-93.7	0	0	0	119.4	Y333 V337	Y333-F335 PolarHBondContact O-N 3.37Å; F335-V337 HydrophobicContact CD1-CG2 4.21Å
336	M	30.2	Very low	29.6	Very low	160 Å²	160	123.3 Å²	123.3	79%	0.788	62%	0.621	S	S	*	*				-114.3	134.9	120.3	-76.9	-150.4	142.9	0	0	109.3
337	V	30.5	Very low	29.7	Very low	108 Å²	108	121.9 Å²	121.9	66%	0.655	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	141.8	169.6	-176.8	0	0	0	0	107.9	F335	F335-V337 HydrophobicContact CD1-CG2 4.21Å
338	D	29.4	Very low	30.1	Very low	140 Å²	140	121.3 Å²	121.3	75%	0.749	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	75	6.5	175.1	-60.4	-30.2	0	0	0	120.8
339	H	30.3	Very low	30.6	Very low	163 Å²	163	125.2 Å²	125.2	76%	0.755	64%	0.64	S	S	*	*	S	Bend	trans	-132.4	150.3	166.8	-70.7	-54.7	0	0	0	115	S341	H339-S341 PolarHBondContact O-N 2.7Å
340	Q	27.8	Very low	31.1	Very low	192 Å²	192	127.9 Å²	127.9	90%	0.897	65%	0.651	S	S	*	*			trans	-62.9	118.2	-164.8	-67.8	172.9	-25.3	0	0	113.7	S342	Q340-S342 PolarHBondContact O-N 3.28Å
341	S	27.9	Very low	31.3	Very low	118 Å²	118	127.3 Å²	127.3	83%	0.825	65%	0.651	S	S	*	*			trans	-67.2	121.1	169	-41.4	0	0	0	0	110.4	H339	H339-S341 PolarHBondContact O-N 2.7Å
342	S	27.5	Very low	31.5	Very low	75 Å²	75	128.4 Å²	128.4	52%	0.524	65%	0.646	S	S	.	*			trans	-104.9	135.8	175.3	46.6	0	0	0	0	111.5	Q340	Q340-S342 PolarHBondContact O-N 3.28Å
343	I	28.5	Very low	31.7	Very low	132 Å²	132	122.6 Å²	122.6	68%	0.677	62%	0.621	S	S	*	*			trans	-102.6	124	176.9	-61.2	172	0	0	0	107.9
344	F	29.5	Very low	31.7	Very low	100 Å²	100	115.6 Å²	115.6	44%	0.439	60%	0.596	S	S	.	*			trans	-100.7	134.3	175.5	-66.7	-76.9	0	0	0	110.9	I298 V299	I298-F344 HydrophobicContact CG2-CD1 3.37Å; I298-F344 HydrophobicContact CG2-CE1 3.26Å; I298-F344 HydrophobicContact CG2-CG 4.15Å; I298-F344 HydrophobicContact CG2-CZ 3.95Å; V299-F344 HydrophobicContact CG2-CE1 4.24Å; V299-F344 HydrophobicContact CG2-CZ 4.45Å
345	M	26.9	Very low	31.6	Very low	162 Å²	162	112.5 Å²	112.5	80%	0.798	58%	0.575	S	S	*	*			trans	-115.6	122.2	176.5	-63.9	-177.6	-73.4	0	0	109.3
346	R	35.2	Very low	31.4	Very low	135 Å²	135	107.8 Å²	107.8	51%	0.509	56%	0.555	S	S	.	*			trans	-110.8	121.1	172.1	-162.2	-174.8	-167.5	-176.2	7.7	109.9	T348	R346-T348 HydrophobicContact CG-CG2 3.99Å
347	N	33.2	Very low	31.3	Very low	104 Å²	104	105.9 Å²	105.9	56%	0.556	55%	0.546	S	S	*	.			trans	-82.3	114.1	173.1	-174	3.5	0	0	0	109.3
348	T	39.8	Very low	31.2	Very low	34 Å²	34	105.8 Å²	105.8	21%	0.209	55%	0.551	C	S	.	*			trans	-137.1	144	171.1	69.9	0	0	0	0	111.5	N327 R346 I350	N327-T348 PolarHBondContact ND2-O 3.1Å; N327-T348 VanDerWaalsContact ND2-O 3.14Å; R346-T348 HydrophobicContact CG-CG2 3.99Å; T348-I350 PolarHBondContact O-N 3.26Å; T348-I350 VanDerWaalsContact O-N 3.13Å
349	N	39.5	Very low	31.1	Very low	155 Å²	155	105.7 Å²	105.7	83%	0.829	55%	0.55	S	S	*	*	S	Bend	trans	-81.3	26.8	178	-73.8	-12.2	0	0	0	112.8
350	I	38.9	Very low	31.1	Very low	104 Å²	104	101.8 Å²	101.8	53%	0.533	53%	0.532	S	S	.	.			trans	-124.7	118.7	-172.6	-55.5	178.6	0	0	0	109.1	T348 H352	T348-I350 PolarHBondContact O-N 3.26Å; T348-I350 VanDerWaalsContact O-N 3.13Å; I350-H352 PolarHBondContact O-N 3.04Å; I350-H352 VanDerWaalsContact O-N 3.08Å
351	T	32.1	Very low	31.2	Very low	49 Å²	49	101.9 Å²	101.9	30%	0.301	53%	0.53	S	S	.	.			trans	-86.3	69.2	-168.4	52.2	0	0	0	0	113.4
352	H	32.2	Very low	31.4	Very low	116 Å²	116	103.9 Å²	103.9	54%	0.537	53%	0.531	S	S	.	.			trans	-135.9	107.3	171.9	-67.6	90.4	0	0	0	111	I350 I379	I350-H352 PolarHBondContact O-N 3.04Å; I350-H352 VanDerWaalsContact O-N 3.08Å; H352-I379 HydrophobicContact CB-CD1 4.47Å
353	F	30.4	Very low	31.6	Very low	30 Å²	30	103.9 Å²	103.9	13%	0.132	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.5	166.4	-92	-104.6	0	0	0	109.2	F328 I399 F401	F328-F353 AromaticContact CD2-CE1 3.95Å; F328-F353 HydrophobicContact CD2-CE1 3.95Å; F328-F353 AromaticContact CD2-CZ 3.64Å; F328-F353 HydrophobicContact CD2-CZ 3.64Å; F328-F353 HydrophobicContact CE2-CE1 4.18Å; F328-F353 AromaticContact CE2-CZ 3.91Å; F328-F353 HydrophobicContact CE2-CZ 3.91Å; F328-F353 HydrophobicContact CG-CZ 4.2Å; F328-F353 VanDerWaalsContact O-CE2 3.28Å; F328-F353 WeakPolarHBondContact O-CE2 3.25Å; F328-F353 WeakPolarHBondContact O-CZ 3.45Å; F353-I399 HydrophobicContact CB-CB 4.14Å; F353-I399 PolarHBondContact N-O 3.15Å; F353-I399 PolarHBondContact O-N 3.27Å; F353-F401 HydrophobicContact CB-CE2 4.28Å; F353-F401 HydrophobicContact CD2-CD2 4.09Å; F353-F401 AromaticContact CD2-CE2 3.44Å; F353-F401 HydrophobicContact CD2-CE2 3.44Å; F353-F401 VanDerWaalsContact CD2-CE2 3.44Å; F353-F401 HydrophobicContact CD2-CZ 4.29Å; F353-F401 AromaticContact CE2-CE2 3.85Å; F353-F401 HydrophobicContact CE2-CE2 3.85Å; F353-F401 HydrophobicContact CE2-CZ 4.35Å; F353-F401 HydrophobicContact CG-CE2 4.04Å
354	I	31.1	Very low	31.8	Very low	54 Å²	54	104.9 Å²	104.9	28%	0.277	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.2	166.6	-60	176	0	0	0	106.8	F356 L372 I379	I354-F356 HydrophobicContact CG2-CD2 4.17Å; I354-F356 HydrophobicContact CG2-CE1 4.4Å; I354-F356 HydrophobicContact CG2-CE2 3.59Å; I354-F356 HydrophobicContact CG2-CZ 3.73Å; I354-L372 HydrophobicContact CD1-CD1 4.46Å; I354-I379 HydrophobicContact CD1-CD1 3.93Å; I354-I379 HydrophobicContact CD1-CG2 4.06Å
355	V	29.1	Very low	31.9	Very low	48 Å²	48	109.7 Å²	109.7	29%	0.291	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.7	122.7	176.7	-178.1	0	0	0	0	108.4	I357 A397 I399	V355-I357 HydrophobicContact CG1-CG1 4.16Å; V355-A397 PolarHBondContact N-O 2.99Å; V355-I399 HydrophobicContact CG2-CD1 4.08Å
356	F	29.1	Very low	32.1	Very low	85 Å²	85	106.8 Å²	106.8	37%	0.373	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.5	171.8	-64.7	-81.8	0	0	0	109.4	I354 L372	I354-F356 HydrophobicContact CG2-CD2 4.17Å; I354-F356 HydrophobicContact CG2-CE1 4.4Å; I354-F356 HydrophobicContact CG2-CE2 3.59Å; I354-F356 HydrophobicContact CG2-CZ 3.73Å; F356-L372 HydrophobicContact CE2-CD1 4.11Å; F356-L372 HydrophobicContact CZ-CD1 4.36Å
357	I	28.1	Very low	32	Very low	119 Å²	119	110 Å²	110	61%	0.61	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-119.3	104.2	173.8	-55.5	177	0	0	0	107.1	V355	V355-I357 HydrophobicContact CG1-CG1 4.16Å
358	S	28.1	Very low	31.9	Very low	107 Å²	107	111.4 Å²	111.4	75%	0.748	57%	0.568	S	S	*	*			trans	-79.7	140.2	166	-177.1	0	0	0	0	109.2
359	N	27.2	Very low	31.4	Very low	137 Å²	137	113.9 Å²	113.9	73%	0.733	59%	0.592	S	S	*	*			trans	-126.9	32.2	-170.5	-155.4	52.8	0	0	0	112.8
360	Q	31.5	Very low	30.9	Very low	81 Å²	81	110 Å²	110	38%	0.379	58%	0.576	S	S	.	*			trans	-110.7	105.5	171.1	-75.4	-163.6	-18.9	0	0	111.2
361	F	29	Very low	30.5	Very low	194 Å²	194	111.5 Å²	111.5	85%	0.851	59%	0.585	S	S	*	*	S	Bend	trans	-75.8	135.8	158.2	-80.6	-103	0	0	0	108.7
362	N	32.5	Very low	30.3	Very low	160 Å²	160	112.6 Å²	112.6	86%	0.856	59%	0.588	S	S	*	*	S	Bend	trans	81.9	23.5	169.5	-52.3	-16.7	0	0	0	119.9
363	S	32.3	Very low	30.1	Very low	75 Å²	75	109.2 Å²	109.2	52%	0.524	58%	0.578	S	S	.	*			trans	-83.1	140.3	165.6	-176.5	0	0	0	0	112.1
364	L	31.4	Very low	29.9	Very low	153 Å²	153	112.3 Å²	112.3	80%	0.801	59%	0.594	S	S	*	*			trans	-106.3	15.8	-165.9	-133.4	138.1	0	0	0	114.5
365	Y	32	Very low	29.9	Very low	202 Å²	202	115.7 Å²	115.7	79%	0.792	61%	0.607	S	S	*	*			trans	-136.9	112.3	-178.4	-68.4	-79.2	0	0	0	111.9
366	P	31.7	Very low	30	Very low	100 Å²	100	123.6 Å²	123.6	65%	0.649	64%	0.637	S	S	*	*			trans	-111.7	104.5	-176.4	36	-26.3	0	0	0	113.7
367	Y	32.5	Very low	30.2	Very low	204 Å²	204	128.7 Å²	128.7	80%	0.8	66%	0.662	S	S	*	*			trans	-145.6	42.9	169.8	-72.5	-66.5	0	0	0	114.1
368	D	31.7	Very low	30.3	Very low	133 Å²	133	124.5 Å²	124.5	71%	0.711	65%	0.648	S	S	*	*			trans	-96.8	97.1	174.4	-71.9	-32.3	0	0	0	111.9
369	A	29.9	Very low	30.3	Very low	86 Å²	86	123.2 Å²	123.2	71%	0.711	63%	0.632	S	S	*	*			trans	-105.6	97.8	170.9	0	0	0	0	0	110.5	L371	A369-L371 PolarHBondContact O-N 2.96Å
370	C	28.7	Very low	30.4	Very low	72 Å²	72	125.1 Å²	125.1	49%	0.486	63%	0.629	S	S	.	*			trans	-82.4	104.4	176.9	-158.6	0	0	0	0	110.3	L372	C370-L372 PolarHBondContact O-N 2.99Å
371	L	30	Very low	30.2	Very low	137 Å²	137	124.2 Å²	124.2	72%	0.717	63%	0.631	S	S	*	*			trans	-84.9	111.4	176.9	-151.5	104.7	0	0	0	109.9	A369	A369-L371 PolarHBondContact O-N 2.96Å
372	L	28.6	Very low	30.4	Very low	71 Å²	71	121.5 Å²	121.5	37%	0.372	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.7	103.9	-175.1	-158.4	149	0	0	0	110	I354 F356 C370 M374 I379	I354-L372 HydrophobicContact CD1-CD1 4.46Å; F356-L372 HydrophobicContact CE2-CD1 4.11Å; F356-L372 HydrophobicContact CZ-CD1 4.36Å; C370-L372 PolarHBondContact O-N 2.99Å; L372-M374 HydrophobicContact CD2-CG 4.48Å; L372-I379 HydrophobicContact CD2-CG2 3.94Å; L372-I379 HydrophobicContact CG-CG2 4.41Å
373	S	28.4	Very low	30.3	Very low	46 Å²	46	117.5 Å²	117.5	32%	0.322	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.6	119.8	176.7	52.9	0	0	0	0	110.8	F375	S373-F375 WeakPolarHBondContact OG-CE2 3.27Å
374	M	26.1	Very low	30.3	Very low	95 Å²	95	118.9 Å²	118.9	47%	0.468	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.6	113.4	167.1	-74	175.1	60.5	0	0	109.1	L372	L372-M374 HydrophobicContact CD2-CG 4.48Å
375	F	30.9	Very low	30.3	Very low	124 Å²	124	115 Å²	115	54%	0.544	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.7	162.6	165.7	-72.5	-82.2	0	0	0	110.6	S373 E377 G378	S373-F375 WeakPolarHBondContact OG-CE2 3.27Å; F375-E377 PolarHBondContact O-N 3.11Å; F375-G378 PolarHBondContact N-O 3.42Å; F375-G378 PolarHBondContact O-N 3.46Å
376	K	31.6	Very low	30.3	Very low	215 Å²	215	110.5 Å²	110.5	94%	0.935	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-13.4	179.3	-148.3	177.4	-177.1	-175.3	0	113.4
377	E	32.7	Very low	30.5	Very low	191 Å²	191	108.3 Å²	108.3	89%	0.893	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.3	4.9	-172.4	-59.8	-177.6	170.9	0	0	113.5	F375	F375-E377 PolarHBondContact O-N 3.11Å
378	G	29	Very low	30.4	Very low	31 Å²	31	106.6 Å²	106.6	32%	0.32	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	167.6	164	177	0	0	0	0	0	115.8	F375	F375-G378 PolarHBondContact N-O 3.42Å; F375-G378 PolarHBondContact O-N 3.46Å
379	I	28.8	Very low	30.3	Very low	80 Å²	80	107.2 Å²	107.2	41%	0.41	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.3	172.6	-58.7	176	0	0	0	108.5	H352 I354 L372	H352-I379 HydrophobicContact CB-CD1 4.47Å; I354-I379 HydrophobicContact CD1-CD1 3.93Å; I354-I379 HydrophobicContact CD1-CG2 4.06Å; L372-I379 HydrophobicContact CD2-CG2 3.94Å; L372-I379 HydrophobicContact CG-CG2 4.41Å
380	W	29.4	Very low	30.6	Very low	178 Å²	178	109.4 Å²	109.4	67%	0.674	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.9	172.5	-70.7	67.5	0	0	0	109.4
381	C	27.4	Very low	30.8	Very low	62 Å²	62	112.5 Å²	112.5	42%	0.419	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.8	108.8	170.1	-89.8	0	0	0	0	109.4
382	K	32.3	Very low	31	Very low	137 Å²	137	109.2 Å²	109.2	60%	0.596	54%	0.539	S	S	*	.			trans	-97.5	98.9	167	-168.1	170	-177.1	175.8	0	108.3	F384	K382-F384 HydrophobicContact CB-CE2 4.37Å; K382-F384 HydrophobicContact CD-CE1 4.45Å; K382-F384 HydrophobicContact CD-CE2 4.31Å; K382-F384 HydrophobicContact CD-CZ 3.91Å; K382-F384 HydrophobicContact CG-CE2 4.15Å; K382-F384 HydrophobicContact CG-CZ 4.18Å; K382-F384 WeakPolarHBondContact O-CD2 3.43Å; K382-F384 PolarHBondContact O-N 3.18Å
383	I	31.6	Very low	31.1	Very low	76 Å²	76	109.6 Å²	109.6	39%	0.39	54%	0.541	S	S	.	.			trans	-73.9	118	174	-59.4	176.3	0	0	0	107.7
384	F	30.9	Very low	31.2	Very low	103 Å²	103	109.5 Å²	109.5	45%	0.452	54%	0.539	S	S	.	.			trans	-90.7	113.6	168.1	-67.1	-89.2	0	0	0	108	K382 F386	K382-F384 HydrophobicContact CB-CE2 4.37Å; K382-F384 HydrophobicContact CD-CE1 4.45Å; K382-F384 HydrophobicContact CD-CE2 4.31Å; K382-F384 HydrophobicContact CD-CZ 3.91Å; K382-F384 HydrophobicContact CG-CE2 4.15Å; K382-F384 HydrophobicContact CG-CZ 4.18Å; K382-F384 WeakPolarHBondContact O-CD2 3.43Å; K382-F384 PolarHBondContact O-N 3.18Å; F384-F386 HydrophobicContact CB-CD2 3.78Å; F384-F386 HydrophobicContact CB-CE2 3.74Å; F384-F386 HydrophobicContact CD1-CE2 4.26Å; F384-F386 HydrophobicContact CG-CE2 4.32Å; F384-F386 PolarHBondContact O-N 3.11Å
385	N	32.2	Very low	31.4	Very low	73 Å²	73	111.7 Å²	111.7	39%	0.39	54%	0.542	S	S	.	.			trans	-89.8	97.4	-177.6	-153.1	15.4	0	0	0	109.6
386	F	32.9	Very low	31.3	Very low	107 Å²	107	106.9 Å²	106.9	47%	0.469	52%	0.523	S	S	.	.			trans	-113	67.4	-177	-81.5	-72.3	0	0	0	112.6	I246 F384	I246-F386 HydrophobicContact CD1-CD1 4.13Å; I246-F386 HydrophobicContact CD1-CE1 3.5Å; I246-F386 VanDerWaalsContact CD1-CE1 3.5Å; I246-F386 HydrophobicContact CD1-CZ 4.16Å; F384-F386 HydrophobicContact CB-CD2 3.78Å; F384-F386 HydrophobicContact CB-CE2 3.74Å; F384-F386 HydrophobicContact CD1-CE2 4.26Å; F384-F386 HydrophobicContact CG-CE2 4.32Å; F384-F386 PolarHBondContact O-N 3.11Å
387	S	34.4	Very low	31.3	Very low	53 Å²	53	97.7 Å²	97.7	37%	0.371	49%	0.487	S	S	.	.			trans	-150.3	148.4	160.7	-165.5	0	0	0	0	113.5
388	K	30.8	Very low	31.3	Very low	168 Å²	168	90.2 Å²	90.2	73%	0.73	46%	0.456	S	S	*	.	S	Bend	trans	-90.4	134.2	166.3	-96.5	-178.9	171.5	178.8	0	108.4
389	N	30.7	Very low	31.5	Very low	146 Å²	146	90 Å²	90	78%	0.781	45%	0.448	S	S	*	.	S	Bend	trans	52.5	83.8	166.2	-60.7	3.7	0	0	0	115.2
390	D	36.2	Very low	31.9	Very low	132 Å²	132	90.9 Å²	90.9	71%	0.706	45%	0.45	S	S	*	.	S	Bend	trans	179.6	156.1	130.8	-88.5	-18.4	0	0	0	109.3	I392	D390-I392 PolarHBondContact O-N 2.02Å
391	D	32.4	Very low	32.2	Very low	138 Å²	138	85.2 Å²	85.2	74%	0.738	43%	0.43	S	S	*	.			trans	-68.2	84.6	-177.9	-75.1	-37.1	0	0	0	112.2	L393	D391-L393 PolarHBondContact O-N 3.48Å
392	I	33.6	Very low	33.1	Very low	67 Å²	67	85 Å²	85	34%	0.344	43%	0.425	S	S	.	.			trans	-80.8	101.3	175.9	-61.6	177.2	0	0	0	110.3	D390 T394	D390-I392 PolarHBondContact O-N 2.02Å; I392-T394 PolarHBondContact O-N 2.99Å
393	L	30.6	Very low	33.6	Very low	80 Å²	80	84.1 Å²	84.1	42%	0.419	42%	0.423	S	S	.	.			trans	-82.6	87.4	175.9	-167.4	115.8	0	0	0	111.4	D391 R395 I414 V416	D391-L393 PolarHBondContact O-N 3.48Å; L393-R395 HydrophobicContact CD2-CG 3.9Å; L393-R395 PolarHBondContact O-N 2.96Å; L393-I414 HydrophobicContact CD1-CG2 4.37Å; L393-I414 HydrophobicContact CD2-CG2 4.36Å; L393-I414 HydrophobicContact CG-CG2 4.5Å; L393-V416 HydrophobicContact CD1-CG2 3.96Å
394	T	31.6	Very low	34.4	Very low	43 Å²	43	90 Å²	90	26%	0.264	45%	0.446	S	S	.	.			trans	-69.7	112.8	179.1	-44.5	0	0	0	0	111.5	I392	I392-T394 PolarHBondContact O-N 2.99Å
395	R	29.3	Very low	35.3	Very low	141 Å²	141	91.2 Å²	91.2	53%	0.532	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119.6	174.8	-63.7	-177.9	-178.2	176.3	1.6	110.2	L393	L393-R395 HydrophobicContact CD2-CG 3.9Å; L393-R395 PolarHBondContact O-N 2.96Å
396	C	29.9	Very low	35.6	Very low	23 Å²	23	92.5 Å²	92.5	16%	0.155	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.3	173.1	-66.3	0	0	0	0	108.9	Y413	C396-Y413 PolarHBondContact N-O 2.76Å; C396-Y413 PolarHBondContact O-N 3.08Å
397	A	31.7	Very low	35.8	Very low	22 Å²	22	89.2 Å²	89.2	18%	0.182	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.5	172.6	0	0	0	0	0	110.3	V355	V355-A397 PolarHBondContact N-O 2.99Å
398	S	31.3	Very low	36	Very low	35 Å²	35	88.3 Å²	88.3	25%	0.245	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.5	165.9	62.7	0	0	0	0	109	K411	S398-K411 PolarHBondContact N-O 2.71Å; S398-K411 PolarHBondContact O-N 2.87Å; S398-K411 PolarHBondContact OG-O 3.21Å
399	I	34.3	Very low	36.1	Very low	27 Å²	27	82.4 Å²	82.4	14%	0.138	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.1	174.8	-54.3	174.2	0	0	0	108.3	F353 V355 F401 F410	F353-I399 HydrophobicContact CB-CB 4.14Å; F353-I399 PolarHBondContact N-O 3.15Å; F353-I399 PolarHBondContact O-N 3.27Å; V355-I399 HydrophobicContact CG2-CD1 4.08Å; I399-F401 HydrophobicContact CB-CE2 4.2Å; I399-F401 HydrophobicContact CG2-CD2 4.08Å; I399-F401 HydrophobicContact CG2-CE2 3.52Å; I399-F401 HydrophobicContact CG2-CZ 3.79Å; I399-F410 HydrophobicContact CD1-CD1 4.5Å; I399-F410 HydrophobicContact CD1-CE1 3.82Å; I399-F410 HydrophobicContact CD1-CZ 4.43Å; I399-F410 HydrophobicContact CG1-CD1 4.13Å; I399-F410 HydrophobicContact CG1-CE1 3.94Å
400	Q	36.9	Very low	36.2	Very low	98 Å²	98	79.2 Å²	79.2	46%	0.458	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.1	174.4	-172.4	176.6	-1.5	0	0	109.6	T409	Q400-T409 PolarHBondContact N-O 2.7Å; Q400-T409 PolarHBondContact O-N 3.12Å; Q400-T409 VanDerWaalsContact O-N 3.14Å
401	F	35.9	Very low	36	Very low	59 Å²	59	77.5 Å²	77.5	26%	0.259	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117	179.4	-69.8	-93	0	0	0	110.5	F353 I399 F408	F353-F401 HydrophobicContact CB-CE2 4.28Å; F353-F401 HydrophobicContact CD2-CD2 4.09Å; F353-F401 AromaticContact CD2-CE2 3.44Å; F353-F401 HydrophobicContact CD2-CE2 3.44Å; F353-F401 VanDerWaalsContact CD2-CE2 3.44Å; F353-F401 HydrophobicContact CD2-CZ 4.29Å; F353-F401 AromaticContact CE2-CE2 3.85Å; F353-F401 HydrophobicContact CE2-CE2 3.85Å; F353-F401 HydrophobicContact CE2-CZ 4.35Å; F353-F401 HydrophobicContact CG-CE2 4.04Å; I399-F401 HydrophobicContact CB-CE2 4.2Å; I399-F401 HydrophobicContact CG2-CD2 4.08Å; I399-F401 HydrophobicContact CG2-CE2 3.52Å; I399-F401 HydrophobicContact CG2-CZ 3.79Å; F401-F408 AromaticContact CD1-CD1 3.89Å; F401-F408 HydrophobicContact CD1-CD1 3.89Å; F401-F408 HydrophobicContact CD1-CE1 4.28Å; F401-F408 AromaticContact CE1-CD1 3.73Å; F401-F408 HydrophobicContact CE1-CD1 3.73Å; F401-F408 AromaticContact CE1-CE1 3.99Å; F401-F408 HydrophobicContact CE1-CE1 3.99Å
402	D	45.3	Very low	36	Very low	56 Å²	56	74.4 Å²	74.4	30%	0.299	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	92.7	165.7	-169.8	-23.4	0	0	0	109.7	K404 K405 K406 E407	D402-K404 PolarHBondContact O-N 3.38Å; D402-K404 VanDerWaalsContact O-N 3.12Å; D402-K404 WeakPolarHBondContact OD1-CA 3.04Å; D402-K404 WeakPolarHBondContact OD1-CB 3.32Å; D402-K404 PolarHBondContact OD1-N 2.67Å; D402-K405 HydrophobicContact CB-CB 4.22Å; D402-K405 PolarHBondContact O-N 3.11Å; D402-K405 VanDerWaalsContact O-N 3.12Å; D402-K405 PolarHBondContact OD1-N 3.33Å; D402-K405 WeakPolarHBondContact OD2-CD 3.49Å; D402-K405 VanDerWaalsContact OD2-CE 3.25Å; D402-K405 WeakPolarHBondContact OD2-CE 3.26Å; D402-K405 WeakPolarHBondContact OD2-CG 3.04Å; D402-K405 IonicContact OD2-NZ 3.48Å; D402-K406 PolarHBondContact O-N 3.27Å; D402-E407 PolarHBondContact N-O 2.88Å
403	H	44.3	Very low	35.9	Very low	120 Å²	120	76.5 Å²	76.5	56%	0.556	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.9	177.3	-79.7	-72.5	0	0	0	113.9	N327	N327-H403 PolarHBondContact OD1-NE2 2.77Å
404	K	47.8	Very low	35.7	Very low	200 Å²	200	76.8 Å²	76.8	87%	0.87	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-28	176.9	-69.3	-176.3	177.3	178.6	0	112.8	D402	D402-K404 PolarHBondContact O-N 3.38Å; D402-K404 VanDerWaalsContact O-N 3.12Å; D402-K404 WeakPolarHBondContact OD1-CA 3.04Å; D402-K404 WeakPolarHBondContact OD1-CB 3.32Å; D402-K404 PolarHBondContact OD1-N 2.67Å
405	K	48.7	Very low	35.6	Very low	128 Å²	128	78.5 Å²	78.5	56%	0.557	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-13.5	-174.7	-65.6	-175.1	-169.1	172.2	0	115.5	D402 E407	D402-K405 HydrophobicContact CB-CB 4.22Å; D402-K405 PolarHBondContact O-N 3.11Å; D402-K405 VanDerWaalsContact O-N 3.12Å; D402-K405 PolarHBondContact OD1-N 3.33Å; D402-K405 WeakPolarHBondContact OD2-CD 3.49Å; D402-K405 VanDerWaalsContact OD2-CE 3.25Å; D402-K405 WeakPolarHBondContact OD2-CE 3.26Å; D402-K405 WeakPolarHBondContact OD2-CG 3.04Å; D402-K405 IonicContact OD2-NZ 3.48Å; K405-E407 HydrophobicContact CB-CB 4.09Å; K405-E407 HydrophobicContact CB-CG 3.89Å; K405-E407 WeakPolarHBondContact CD-OE2 3.41Å; K405-E407 IonicContact NZ-OE2 3.65Å; K405-E407 PolarHBondContact O-N 2.96Å
406	K	39.9	Very low	35.5	Very low	100 Å²	100	75.1 Å²	75.1	44%	0.435	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	32.3	-166.9	-54.2	-179.1	177.1	-177.9	0	112.9	D402 W439	D402-K406 PolarHBondContact O-N 3.27Å; K406-W439 VanDerWaalsContact CA-CZ3 3.48Å; K406-W439 HydrophobicContact CB-CD2 4.02Å; K406-W439 HydrophobicContact CB-CE3 3.82Å; K406-W439 HydrophobicContact CB-CH2 4.07Å; K406-W439 HydrophobicContact CB-CZ2 4.19Å; K406-W439 HydrophobicContact CB-CZ3 3.88Å; K406-W439 HydrophobicContact CD-CZ2 4.43Å; K406-W439 HydrophobicContact CG-CH2 4.14Å; K406-W439 HydrophobicContact CG-CZ2 3.97Å; K406-W439 HydrophobicContact CG-CZ3 4.46Å
407	E	37.2	Very low	35.5	Very low	38 Å²	38	79.5 Å²	79.5	18%	0.178	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.9	179.7	-72.1	178.3	159	0	0	110.2	D402 K405 T436 Y438	D402-E407 PolarHBondContact N-O 2.88Å; K405-E407 HydrophobicContact CB-CB 4.09Å; K405-E407 HydrophobicContact CB-CG 3.89Å; K405-E407 WeakPolarHBondContact CD-OE2 3.41Å; K405-E407 IonicContact NZ-OE2 3.65Å; K405-E407 PolarHBondContact O-N 2.96Å; E407-T436 HydrophobicContact CB-CG2 4.31Å; E407-T436 HydrophobicContact CG-CG2 4.15Å; E407-Y438 HydrophobicContact CG-CD1 4.17Å; E407-Y438 HydrophobicContact CG-CE1 3.73Å; E407-Y438 VanDerWaalsContact OE1-CE1 3.26Å; E407-Y438 WeakPolarHBondContact OE1-CE1 3.48Å; E407-Y438 PolarHBondContact OE1-OH 2.86Å; E407-Y438 VanDerWaalsContact OE1-OH 3.12Å
408	F	37.5	Very low	35.3	Very low	34 Å²	34	86 Å²	86	15%	0.149	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.8	165.8	-37	-83.5	0	0	0	108.7	F401 F410 W439	F401-F408 AromaticContact CD1-CD1 3.89Å; F401-F408 HydrophobicContact CD1-CD1 3.89Å; F401-F408 HydrophobicContact CD1-CE1 4.28Å; F401-F408 AromaticContact CE1-CD1 3.73Å; F401-F408 HydrophobicContact CE1-CD1 3.73Å; F401-F408 AromaticContact CE1-CE1 3.99Å; F401-F408 HydrophobicContact CE1-CE1 3.99Å; F408-F410 HydrophobicContact CB-CE2 4.3Å; F408-W439 AromaticContact CE1-CE3 3.65Å; F408-W439 HydrophobicContact CE1-CE3 3.65Å; F408-W439 AromaticContact CE1-CZ3 3.81Å; F408-W439 HydrophobicContact CE1-CZ3 3.81Å; F408-W439 HydrophobicContact CE2-CB 3.96Å; F408-W439 AromaticContact CE2-CE3 3.8Å; F408-W439 HydrophobicContact CE2-CE3 3.8Å; F408-W439 HydrophobicContact CZ-CB 4.02Å; F408-W439 AromaticContact CZ-CD2 3.96Å; F408-W439 HydrophobicContact CZ-CD2 3.96Å; F408-W439 AromaticContact CZ-CE3 3.24Å; F408-W439 HydrophobicContact CZ-CE3 3.24Å; F408-W439 HydrophobicContact CZ-CG 4.32Å; F408-W439 AromaticContact CZ-CZ3 3.9Å; F408-W439 HydrophobicContact CZ-CZ3 3.9Å
409	T	34	Very low	35.2	Very low	44 Å²	44	89 Å²	89	27%	0.27	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	114.9	170	-51.5	0	0	0	0	109.7	Q400	Q400-T409 PolarHBondContact N-O 2.7Å; Q400-T409 PolarHBondContact O-N 3.12Å; Q400-T409 VanDerWaalsContact O-N 3.14Å
410	F	31.7	Very low	35	Very low	78 Å²	78	92.8 Å²	92.8	34%	0.342	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	123.5	171	-75.8	-90.9	0	0	0	110.1	I399 F408	I399-F410 HydrophobicContact CD1-CD1 4.5Å; I399-F410 HydrophobicContact CD1-CE1 3.82Å; I399-F410 HydrophobicContact CD1-CZ 4.43Å; I399-F410 HydrophobicContact CG1-CD1 4.13Å; I399-F410 HydrophobicContact CG1-CE1 3.94Å; F408-F410 HydrophobicContact CB-CE2 4.3Å
411	K	33	Very low	34.6	Very low	96 Å²	96	94.5 Å²	94.5	42%	0.417	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	103.8	165.3	-70.8	-179.6	-179.1	175.6	0	108.5	S398 Y413	S398-K411 PolarHBondContact N-O 2.71Å; S398-K411 PolarHBondContact O-N 2.87Å; S398-K411 PolarHBondContact OG-O 3.21Å; K411-Y413 HydrophobicContact CB-CE2 4.28Å
412	T	30.8	Very low	34.1	Very low	73 Å²	73	100.3 Å²	100.3	45%	0.448	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.7	176.6	-56.4	0	0	0	0	109.3
413	Y	31.3	Very low	33.1	Very low	111 Å²	111	104.2 Å²	104.2	44%	0.435	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.4	171.1	-54.9	-85.7	0	0	0	108.8	C396 K411	C396-Y413 PolarHBondContact N-O 2.76Å; C396-Y413 PolarHBondContact O-N 3.08Å; K411-Y413 HydrophobicContact CB-CE2 4.28Å
414	I	28.2	Very low	32.2	Very low	87 Å²	87	107 Å²	107	45%	0.446	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	107.9	170.3	-56.6	177.3	0	0	0	106.3	L393 V416	L393-I414 HydrophobicContact CD1-CG2 4.37Å; L393-I414 HydrophobicContact CD2-CG2 4.36Å; L393-I414 HydrophobicContact CG-CG2 4.5Å; I414-V416 HydrophobicContact CG2-CG2 3.77Å
415	I	28.9	Very low	31.2	Very low	78 Å²	78	101.7 Å²	101.7	40%	0.4	50%	0.5	S	S	.	.			trans	-100.4	116.2	172.8	-55.9	178.4	0	0	0	106.5	L417	I415-L417 HydrophobicContact CG2-CD2 4.31Å; I415-L417 HydrophobicContact CG2-CG 4.11Å
416	V	27.6	Very low	30.2	Very low	71 Å²	71	100.3 Å²	100.3	43%	0.43	50%	0.503	S	S	.	.			trans	-108.1	110.2	177.1	-167.7	0	0	0	0	108.2	L393 I414 Y418	L393-V416 HydrophobicContact CD1-CG2 3.96Å; I414-V416 HydrophobicContact CG2-CG2 3.77Å; V416-Y418 HydrophobicContact CG1-CD2 3.75Å; V416-Y418 HydrophobicContact CG1-CE2 3.48Å; V416-Y418 VanDerWaalsContact CG1-CE2 3.48Å
417	L	29.2	Very low	29.7	Very low	114 Å²	114	101.4 Å²	101.4	60%	0.597	51%	0.508	S	S	*	.			trans	-103.5	106.8	176.7	-65.8	173.3	0	0	0	108.9	I415	I415-L417 HydrophobicContact CG2-CD2 4.31Å; I415-L417 HydrophobicContact CG2-CG 4.11Å
418	Y	27.7	Very low	29.2	Very low	159 Å²	159	104.3 Å²	104.3	62%	0.624	52%	0.524	S	S	*	.			trans	-88.7	142.8	170.2	-82.8	-88.9	0	0	0	110.5	V416 T426	V416-Y418 HydrophobicContact CG1-CD2 3.75Å; V416-Y418 HydrophobicContact CG1-CE2 3.48Å; V416-Y418 VanDerWaalsContact CG1-CE2 3.48Å; Y418-T426 HydrophobicContact CD2-CG2 3.24Å; Y418-T426 HydrophobicContact CE2-CG2 4.02Å; Y418-T426 HydrophobicContact CG-CG2 3.79Å
419	Q	29.5	Very low	28.7	Very low	98 Å²	98	108.6 Å²	108.6	46%	0.458	55%	0.548	S	S	.	.			trans	-138	107.9	177.5	-174	162.8	26.1	0	0	111.3	N247	N247-Q419 VanDerWaalsContact CB-NE2 3.27Å; N247-Q419 PolarHBondContact ND2-OE1 2.7Å
420	S	29	Very low	28.3	Very low	107 Å²	107	113.8 Å²	113.8	75%	0.748	57%	0.569	S	S	*	*			trans	154.1	144.6	132.5	61.6	0	0	0	0	113.7
421	V	28.4	Very low	28.1	Very low	133 Å²	133	115.7 Å²	115.7	81%	0.806	58%	0.583	S	S	*	*	S	Bend	trans	67.9	148.8	165.6	-163.7	0	0	0	0	117
422	F	26.1	Very low	27.7	Very low	181 Å²	181	119.2 Å²	119.2	79%	0.794	60%	0.598	S	S	*	*	S	Bend	trans	-28.8	141.3	177.1	-86.2	-103.8	0	0	0	117.3
423	D	24.3	Very low	27.5	Very low	138 Å²	138	120.6 Å²	120.6	74%	0.738	60%	0.602	S	S	*	*	S	Bend	trans	64.7	126.4	163.4	-62.3	-27.6	0	0	0	118.8
424	Y	26.2	Very low	27.2	Very low	178 Å²	178	119.6 Å²	119.6	70%	0.698	61%	0.611	S	S	*	*			trans	70.8	119.4	151.5	-96.2	-98.1	0	0	0	119.8
425	V	26	Very low	27.3	Very low	89 Å²	89	122 Å²	122	54%	0.539	62%	0.619	S	S	.	*			trans	85.2	106.1	155.7	-167.9	0	0	0	0	118.1	K427	V425-K427 HydrophobicContact CG1-CG 4.12Å
426	T	28.4	Very low	27.2	Very low	100 Å²	100	122 Å²	122	61%	0.613	62%	0.623	S	S	*	*			trans	-129.9	127.3	135	13.9	0	0	0	0	109.2	Y418	Y418-T426 HydrophobicContact CD2-CG2 3.24Å; Y418-T426 HydrophobicContact CE2-CG2 4.02Å; Y418-T426 HydrophobicContact CG-CG2 3.79Å
427	K	27.9	Very low	27.4	Very low	122 Å²	122	120.8 Å²	120.8	53%	0.53	62%	0.617	S	S	.	*			trans	-95.8	151.2	-173.6	-83.5	175.4	161.1	-169.8	0	111.9	V425	V425-K427 HydrophobicContact CG1-CG 4.12Å
428	D	26.9	Very low	27.4	Very low	99 Å²	99	123.5 Å²	123.5	53%	0.529	62%	0.62	S	S	.	*			trans	-54.9	134.5	161	-70.6	-71.4	0	0	0	113	H463	D428-H463 IonicContact OD2-CE1 2.68Å; D428-H463 PolarHBondContact OD2-CE1 2.81Å; D428-H463 IonicContact OD2-CG 3.73Å; D428-H463 IonicContact OD2-ND1 3.8Å; D428-H463 PolarHBondContact OD2-ND1 3.13Å; D428-H463 IonicContact OD2-NE2 3.63Å
429	I	28.4	Very low	27.8	Very low	125 Å²	125	120.5 Å²	120.5	64%	0.641	61%	0.608	S	S	*	*			trans	-134.2	83.4	151.9	-56.9	-177.5	0	0	0	107.9	N431	I429-N431 HydrophobicContact CG2-CB 4.23Å; I429-N431 WeakPolarHBondContact CG2-ND2 3.3Å; I429-N431 PolarHBondContact O-N 2.88Å
430	Q	25.4	Very low	28	Very low	153 Å²	153	122 Å²	122	72%	0.715	62%	0.619	S	S	*	*			trans	-78.3	89	159.6	-74.4	-170.6	-4.1	0	0	109.4
431	N	26.2	Very low	28.3	Very low	117 Å²	117	123 Å²	123	63%	0.626	61%	0.612	S	S	*	*			trans	-100.7	93	162.8	-82.4	-22.7	0	0	0	108.9	I429 I433	I429-N431 HydrophobicContact CG2-CB 4.23Å; I429-N431 WeakPolarHBondContact CG2-ND2 3.3Å; I429-N431 PolarHBondContact O-N 2.88Å; N431-I433 PolarHBondContact O-N 2.94Å
432	F	25	Very low	28.4	Very low	171 Å²	171	125 Å²	125	75%	0.75	61%	0.613	S	S	*	*			trans	-69	113.4	166.5	-81.4	-86	0	0	0	109.3
433	I	27.3	Very low	28.4	Very low	102 Å²	102	122.2 Å²	122.2	52%	0.523	61%	0.606	S	S	.	*			trans	-116.3	92.2	167.4	-56.1	-178	0	0	0	107	N431 F435	N431-I433 PolarHBondContact O-N 2.94Å; I433-F435 HydrophobicContact CG2-CD1 4.29Å; I433-F435 HydrophobicContact CG2-CD2 3.9Å; I433-F435 HydrophobicContact CG2-CE1 3.69Å; I433-F435 HydrophobicContact CG2-CE2 3.24Å; I433-F435 HydrophobicContact CG2-CG 4.4Å; I433-F435 HydrophobicContact CG2-CZ 3.13Å
434	S	25.6	Very low	28.6	Very low	90 Å²	90	121.9 Å²	121.9	63%	0.629	60%	0.603	S	S	*	*			trans	-93.4	122.2	169.1	57.4	0	0	0	0	109.4
435	F	29.6	Very low	28.5	Very low	137 Å²	137	119.6 Å²	119.6	60%	0.601	61%	0.608	S	S	*	*			trans	-115.5	136.2	165.7	-53.7	-62.5	0	0	0	109	I433	I433-F435 HydrophobicContact CG2-CD1 4.29Å; I433-F435 HydrophobicContact CG2-CD2 3.9Å; I433-F435 HydrophobicContact CG2-CE1 3.69Å; I433-F435 HydrophobicContact CG2-CE2 3.24Å; I433-F435 HydrophobicContact CG2-CG 4.4Å; I433-F435 HydrophobicContact CG2-CZ 3.13Å
436	T	27.7	Very low	28.6	Very low	79 Å²	79	122.7 Å²	122.7	49%	0.485	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.4	125.9	169	-38.5	0	0	0	0	107	E407	E407-T436 HydrophobicContact CB-CG2 4.31Å; E407-T436 HydrophobicContact CG-CG2 4.15Å
437	S	30.4	Very low	28.5	Very low	44 Å²	44	123.4 Å²	123.4	31%	0.308	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.2	145.4	173.1	65.8	0	0	0	0	111.3
438	Y	29.5	Very low	28.4	Very low	172 Å²	172	122.2 Å²	122.2	68%	0.675	63%	0.628	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.8	133.5	177.6	-61.3	-73.4	0	0	0	109.2	E407	E407-Y438 HydrophobicContact CG-CD1 4.17Å; E407-Y438 HydrophobicContact CG-CE1 3.73Å; E407-Y438 VanDerWaalsContact OE1-CE1 3.26Å; E407-Y438 WeakPolarHBondContact OE1-CE1 3.48Å; E407-Y438 PolarHBondContact OE1-OH 2.86Å; E407-Y438 VanDerWaalsContact OE1-OH 3.12Å
439	W	37	Very low	28.4	Very low	95 Å²	95	125.5 Å²	125.5	36%	0.36	64%	0.637	S	S	.	*			trans	-95.1	143.6	172.1	88.8	75.5	0	0	0	111.8	K406 F408	K406-W439 VanDerWaalsContact CA-CZ3 3.48Å; K406-W439 HydrophobicContact CB-CD2 4.02Å; K406-W439 HydrophobicContact CB-CE3 3.82Å; K406-W439 HydrophobicContact CB-CH2 4.07Å; K406-W439 HydrophobicContact CB-CZ2 4.19Å; K406-W439 HydrophobicContact CB-CZ3 3.88Å; K406-W439 HydrophobicContact CD-CZ2 4.43Å; K406-W439 HydrophobicContact CG-CH2 4.14Å; K406-W439 HydrophobicContact CG-CZ2 3.97Å; K406-W439 HydrophobicContact CG-CZ3 4.46Å; F408-W439 AromaticContact CE1-CE3 3.65Å; F408-W439 HydrophobicContact CE1-CE3 3.65Å; F408-W439 AromaticContact CE1-CZ3 3.81Å; F408-W439 HydrophobicContact CE1-CZ3 3.81Å; F408-W439 HydrophobicContact CE2-CB 3.96Å; F408-W439 AromaticContact CE2-CE3 3.8Å; F408-W439 HydrophobicContact CE2-CE3 3.8Å; F408-W439 HydrophobicContact CZ-CB 4.02Å; F408-W439 AromaticContact CZ-CD2 3.96Å; F408-W439 HydrophobicContact CZ-CD2 3.96Å; F408-W439 AromaticContact CZ-CE3 3.24Å; F408-W439 HydrophobicContact CZ-CE3 3.24Å; F408-W439 HydrophobicContact CZ-CG 4.32Å; F408-W439 AromaticContact CZ-CZ3 3.9Å; F408-W439 HydrophobicContact CZ-CZ3 3.9Å
440	N	33.8	Very low	28.4	Very low	131 Å²	131	128.4 Å²	128.4	70%	0.701	65%	0.648	S	S	*	*	B	Isolated β-bridge	trans	-118	164	163.8	-146.7	3.9	0	0	0	109	E442	N440-E442 PolarHBondContact O-N 2.85Å
441	E	33.3	Very low	28.4	Very low	126 Å²	126	127.9 Å²	127.9	59%	0.589	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-10.5	-155.9	-61	-149.5	133.2	0	0	117.7	R323	R323-E441 IonicContact CZ-OE1 2.81Å; R323-E441 IonicContact NH1-OE1 3.33Å; R323-E441 IonicContact NH1-OE2 3.82Å; R323-E441 IonicContact NH2-OE1 2.67Å; R323-E441 PolarHBondContact NH2-OE1 2.76Å; R323-E441 IonicContact NH2-OE2 3.9Å
442	E	31.2	Very low	28.3	Very low	176 Å²	176	131.2 Å²	131.2	82%	0.822	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.8	-22.1	-166.4	-63.3	-173	153.6	0	0	116.7	N440	N440-E442 PolarHBondContact O-N 2.85Å
443	N	27.3	Very low	28.3	Very low	122 Å²	122	131.5 Å²	131.5	65%	0.652	66%	0.663	S	S	*	*	B	Isolated β-bridge	trans	-155.3	149.4	-179.3	-82.7	-62.2	0	0	0	113.5
444	I	26.6	Very low	28.2	Very low	131 Å²	131	133.5 Å²	133.5	67%	0.672	67%	0.673	S	S	*	*			trans	-104.4	108.3	164.1	-59.3	175.3	0	0	0	108.1
445	T	25.7	Very low	28.1	Very low	131 Å²	131	136.6 Å²	136.6	80%	0.804	68%	0.683	S	S	*	*			trans	-106.5	110.8	172.8	34.8	0	0	0	0	110.8
446	L	26.6	Very low	28	Very low	154 Å²	154	139.5 Å²	139.5	81%	0.806	69%	0.69	S	S	*	*			trans	-90.2	102	166.5	-80.2	159.9	0	0	0	108.6	S448	L446-S448 PolarHBondContact O-N 3.11Å
447	D	27.4	Very low	27.8	Very low	115 Å²	115	143.2 Å²	143.2	62%	0.615	71%	0.707	S	S	*	*			trans	-74.9	113.1	173.3	-161.4	-12.5	0	0	0	109.5	K449	D447-K449 VanDerWaalsContact C-N 3.26Å; D447-K449 PolarHBondContact O-N 2.82Å; D447-K449 VanDerWaalsContact OD1-CD 3.26Å; D447-K449 WeakPolarHBondContact OD1-CD 3.34Å; D447-K449 WeakPolarHBondContact OD1-CE 3.37Å; D447-K449 VanDerWaalsContact OD1-CG 3.23Å; D447-K449 WeakPolarHBondContact OD1-CG 3.36Å; D447-K449 IonicContact OD1-NZ 2.91Å; D447-K449 IonicContact OD2-NZ 3.35Å; D447-K449 PolarHBondContact OD2-NZ 3.45Å
448	S	26.6	Very low	27.7	Very low	97 Å²	97	150.8 Å²	150.8	68%	0.678	73%	0.73	S	S	*	*			trans	-83	5.4	-170.9	56	0	0	0	0	114.5	L446 E450	L446-S448 PolarHBondContact O-N 3.11Å; S448-E450 PolarHBondContact O-N 3.32Å
449	K	26.9	Very low	27.6	Very low	167 Å²	167	148.6 Å²	148.6	73%	0.726	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-8.5	-165.2	-75.9	172.1	-166.1	150.1	0	117.4	D447	D447-K449 VanDerWaalsContact C-N 3.26Å; D447-K449 PolarHBondContact O-N 2.82Å; D447-K449 VanDerWaalsContact OD1-CD 3.26Å; D447-K449 WeakPolarHBondContact OD1-CD 3.34Å; D447-K449 WeakPolarHBondContact OD1-CE 3.37Å; D447-K449 VanDerWaalsContact OD1-CG 3.23Å; D447-K449 WeakPolarHBondContact OD1-CG 3.36Å; D447-K449 IonicContact OD1-NZ 2.91Å; D447-K449 IonicContact OD2-NZ 3.35Å; D447-K449 PolarHBondContact OD2-NZ 3.45Å
450	E	27.1	Very low	27.1	Very low	186 Å²	186	153.8 Å²	153.8	87%	0.869	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	4.5	-177.5	-64.7	-152.8	136.5	0	0	115.7	S448 K452	S448-E450 PolarHBondContact O-N 3.32Å; E450-K452 PolarHBondContact O-N 3.29Å
451	I	25.8	Very low	27	Very low	143 Å²	143	158 Å²	158	73%	0.733	76%	0.76	S	S	*	*			trans	-77.6	74.5	173.9	-50.1	-177.5	0	0	0	110.7	M453	I451-M453 PolarHBondContact O-N 3.13Å
452	K	24.1	Very low	27	Very low	187 Å²	187	157.3 Å²	157.3	81%	0.813	76%	0.761	S	S	*	*			trans	-74.9	102.3	166.3	-81.1	-178.5	178	170.1	0	110	E450 I454	E450-K452 PolarHBondContact O-N 3.29Å; K452-I454 PolarHBondContact O-N 3.01Å
453	M	24	Very low	27.3	Very low	176 Å²	176	154.4 Å²	154.4	87%	0.867	75%	0.747	S	S	*	*			trans	-62	103.3	165.6	-71.1	-171.1	-70.7	0	0	110.2	I451 N455	I451-M453 PolarHBondContact O-N 3.13Å; M453-N455 PolarHBondContact O-N 2.04Å
454	I	26	Very low	27.9	Very low	144 Å²	144	151.3 Å²	151.3	74%	0.738	74%	0.735	S	S	*	*			trans	-82.3	94.4	171.5	-60.2	178.8	0	0	0	108.4	K452 R456	K452-I454 PolarHBondContact O-N 3.01Å; I454-R456 HydrophobicContact CG2-CG 4.42Å; I454-R456 PolarHBondContact O-N 2.83Å
455	N	24.2	Very low	28.5	Very low	155 Å²	155	149.7 Å²	149.7	83%	0.829	73%	0.725	S	S	*	*			trans	-85.8	99.5	175.1	-160.1	5.5	0	0	0	109.6	M453	M453-N455 PolarHBondContact O-N 2.04Å
456	R	26.3	Very low	29.3	Very low	199 Å²	199	146.9 Å²	146.9	75%	0.751	71%	0.707	S	S	*	*			trans	-143	121.9	175.7	-83.2	-170	170.9	177.8	-2.8	112.6	I454 Y458	I454-R456 HydrophobicContact CG2-CG 4.42Å; I454-R456 PolarHBondContact O-N 2.83Å; R456-Y458 HydrophobicContact CB-CD2 4.48Å; R456-Y458 PolarHBondContact O-N 3.49Å
457	N	24.1	Very low	30	Very low	157 Å²	157	145.1 Å²	145.1	84%	0.84	70%	0.698	S	S	*	*			trans	-58.7	125.9	169.7	-69.1	-23.9	0	0	0	111.4
458	Y	27.1	Very low	31	Very low	203 Å²	203	143 Å²	143	80%	0.796	69%	0.687	S	S	*	*			trans	-143.1	156	168	-97.2	-83.7	0	0	0	112.4	R456	R456-Y458 HydrophobicContact CB-CD2 4.48Å; R456-Y458 PolarHBondContact O-N 3.49Å
459	T	29.3	Very low	31.9	Very low	126 Å²	126	141.4 Å²	141.4	77%	0.773	67%	0.668	S	S	*	*			trans	-92.4	165.6	-155.3	39.4	0	0	0	0	115.8
460	R	26.6	Very low	32.9	Very low	204 Å²	204	134.7 Å²	134.7	77%	0.77	64%	0.64	S	S	*	*			trans	-64	135.4	175.4	-88.5	177.5	165.3	176.2	-6.4	112.2
461	R	30.3	Very low	34.1	Very low	218 Å²	218	130.2 Å²	130.2	82%	0.823	62%	0.619	S	S	*	*			trans	-170.3	147.1	152.1	-105.3	172.3	-166.6	173	4.1	113.2
462	N	33.5	Very low	35.4	Very low	113 Å²	113	130 Å²	130	60%	0.604	61%	0.614	S	S	*	*	S	Bend	trans	73.4	50.8	146.1	-60	21.2	0	0	0	124.4
463	H	38.7	Very low	36.7	Very low	114 Å²	114	122.2 Å²	122.2	53%	0.528	58%	0.581	S	S	.	*			trans	-141.5	-4.4	164.2	-103.5	-98.6	0	0	0	118.5	D428 E465	D428-H463 IonicContact OD2-CE1 2.68Å; D428-H463 PolarHBondContact OD2-CE1 2.81Å; D428-H463 IonicContact OD2-CG 3.73Å; D428-H463 IonicContact OD2-ND1 3.8Å; D428-H463 PolarHBondContact OD2-ND1 3.13Å; D428-H463 IonicContact OD2-NE2 3.63Å; H463-E465 PolarHBondContact O-N 3.04Å
464	S	39.2	Very low	38	Very low	57 Å²	57	114.4 Å²	114.4	40%	0.399	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.9	170.9	61.2	0	0	0	0	112.4	T466 L467 D468	S464-T466 PolarHBondContact O-N 3.5Å; S464-L467 PolarHBondContact O-N 3.25Å; S464-D468 WeakPolarHBondContact CB-OD2 3.45Å; S464-D468 WeakPolarHBondContact O-CB 3.24Å; S464-D468 PolarHBondContact O-N 2.98Å
465	E	39.8	Very low	39.2	Very low	97 Å²	97	111.3 Å²	111.3	45%	0.453	53%	0.528	S	S	.	.	H	α-helix	trans	-48.6	-30.8	-178.6	-82.2	-173.8	-151.3	0	0	115.1	H463 K469	H463-E465 PolarHBondContact O-N 3.04Å; E465-K469 HydrophobicContact CB-CD 4.49Å; E465-K469 WeakPolarHBondContact O-CA 3.44Å; E465-K469 WeakPolarHBondContact O-CB 3.28Å; E465-K469 WeakPolarHBondContact O-CD 3.27Å; E465-K469 WeakPolarHBondContact O-CG 3.39Å; E465-K469 PolarHBondContact O-N 3.01Å; E465-K469 WeakPolarHBondContact OE2-CE 3.34Å; E465-K469 IonicContact OE2-NZ 3.87Å; E465-K469 PolarHBondContact OE2-NZ 2.63Å
466	T	42.1	Very low	40.3	Very low	72 Å²	72	104.8 Å²	104.8	44%	0.442	49%	0.492	S	S	.	.	H	α-helix	trans	-81.5	-37.6	-170.6	-42.5	0	0	0	0	113.7	S464 L470	S464-T466 PolarHBondContact O-N 3.5Å; T466-L470 PolarHBondContact O-N 3.15Å; T466-L470 VanDerWaalsContact O-N 3.11Å
467	L	41.8	Very low	41.4	Very low	117 Å²	117	96.3 Å²	96.3	61%	0.613	46%	0.463	S	S	*	.	H	α-helix	trans	-80.9	-36.6	175	-157	79.7	0	0	0	110.7	S464 K469 L470 H471	S464-L467 PolarHBondContact O-N 3.25Å; L467-K469 VanDerWaalsContact C-N 3.31Å; L467-K469 PolarHBondContact O-N 3.22Å; L467-L470 WeakPolarHBondContact O-CA 3.46Å; L467-L470 WeakPolarHBondContact O-CB 3.06Å; L467-L470 PolarHBondContact O-N 3.11Å; L467-H471 PolarHBondContact O-N 2.57Å
468	D	47.5	Very low	42.4	Very low	70 Å²	70	90.2 Å²	90.2	37%	0.374	43%	0.43	S	S	.	.	H	α-helix	trans	-60	-41.4	169.1	-69.5	-29.1	0	0	0	110.5	S464 L470 H471 Q472	S464-D468 WeakPolarHBondContact CB-OD2 3.45Å; S464-D468 WeakPolarHBondContact O-CB 3.24Å; S464-D468 PolarHBondContact O-N 2.98Å; D468-L470 VanDerWaalsContact C-N 3.34Å; D468-L470 PolarHBondContact O-N 3Å; D468-H471 PolarHBondContact O-N 3.39Å; D468-Q472 VanDerWaalsContact O-CB 3.26Å; D468-Q472 WeakPolarHBondContact O-CB 3.3Å; D468-Q472 WeakPolarHBondContact O-CG 3.32Å; D468-Q472 PolarHBondContact O-N 3.02Å
469	K	46.3	Very low	43.4	Very low	65 Å²	65	82 Å²	82	28%	0.283	40%	0.398	S	S	.	.	H	α-helix	trans	-60.5	-41.2	170.1	-81.9	162.5	-162	168.8	0	111.7	E465 L467 H471 Q472 N473	E465-K469 HydrophobicContact CB-CD 4.49Å; E465-K469 WeakPolarHBondContact O-CA 3.44Å; E465-K469 WeakPolarHBondContact O-CB 3.28Å; E465-K469 WeakPolarHBondContact O-CD 3.27Å; E465-K469 WeakPolarHBondContact O-CG 3.39Å; E465-K469 PolarHBondContact O-N 3.01Å; E465-K469 WeakPolarHBondContact OE2-CE 3.34Å; E465-K469 IonicContact OE2-NZ 3.87Å; E465-K469 PolarHBondContact OE2-NZ 2.63Å; L467-K469 VanDerWaalsContact C-N 3.31Å; L467-K469 PolarHBondContact O-N 3.22Å; K469-H471 VanDerWaalsContact C-N 3.32Å; K469-H471 PolarHBondContact O-N 2.81Å; K469-Q472 PolarHBondContact O-N 3.16Å; K469-N473 WeakPolarHBondContact O-CB 3.37Å; K469-N473 PolarHBondContact O-N 3.4Å; K469-N473 PolarHBondContact O-ND2 3.46Å; K469-N473 VanDerWaalsContact O-ND2 3.12Å; K469-N473 PolarHBondContact O-OD1 3.29Å
470	L	46.5	Very low	44.3	Very low	26 Å²	26	76.5 Å²	76.5	14%	0.136	36%	0.364	C	S	.	.	H	α-helix	trans	-63.4	-37.1	179	-123	151.8	0	0	0	112.4	T466 L467 D468 Y503 Y510 L673	T466-L470 PolarHBondContact O-N 3.15Å; T466-L470 VanDerWaalsContact O-N 3.11Å; L467-L470 WeakPolarHBondContact O-CA 3.46Å; L467-L470 WeakPolarHBondContact O-CB 3.06Å; L467-L470 PolarHBondContact O-N 3.11Å; D468-L470 VanDerWaalsContact C-N 3.34Å; D468-L470 PolarHBondContact O-N 3Å; L470-Y503 HydrophobicContact CD2-CE2 4.06Å; L470-Y503 WeakPolarHBondContact CD2-OH 3.36Å; L470-Y510 HydrophobicContact CD1-CE2 4.26Å; L470-L673 HydrophobicContact CD2-CD1 4.06Å
471	H	52.7	Low	45.1	Very low	92 Å²	92	70.1 Å²	70.1	43%	0.426	35%	0.345	S	S	.	.	H	α-helix	trans	-73.9	-39.3	170.3	-89.1	-108.9	0	0	0	113.3	L467 D468 K469 N473 L474 L673	L467-H471 PolarHBondContact O-N 2.57Å; D468-H471 PolarHBondContact O-N 3.39Å; K469-H471 VanDerWaalsContact C-N 3.32Å; K469-H471 PolarHBondContact O-N 2.81Å; H471-N473 VanDerWaalsContact C-N 3.3Å; H471-N473 PolarHBondContact O-N 2.83Å; H471-L474 PolarHBondContact O-N 3.01Å; H471-L673 WeakPolarHBondContact NE2-CD2 3.49Å
472	Q	52.7	Low	45.9	Very low	138 Å²	138	65.6 Å²	65.6	65%	0.645	34%	0.337	S	S	*	.	H	α-helix	trans	-69.4	-27.3	177.5	-72.7	164.6	14.9	0	0	112.9	D468 K469 L474	D468-Q472 VanDerWaalsContact O-CB 3.26Å; D468-Q472 WeakPolarHBondContact O-CB 3.3Å; D468-Q472 WeakPolarHBondContact O-CG 3.32Å; D468-Q472 PolarHBondContact O-N 3.02Å; K469-Q472 PolarHBondContact O-N 3.16Å; Q472-L474 VanDerWaalsContact C-N 3.3Å
473	N	52.8	Low	46.5	Very low	23 Å²	23	64.3 Å²	64.3	12%	0.123	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-15.7	177.4	-72.2	-16.9	0	0	0	112.4	K469 H471 N475 Y503 Y504	K469-N473 WeakPolarHBondContact O-CB 3.37Å; K469-N473 PolarHBondContact O-N 3.4Å; K469-N473 PolarHBondContact O-ND2 3.46Å; K469-N473 VanDerWaalsContact O-ND2 3.12Å; K469-N473 PolarHBondContact O-OD1 3.29Å; H471-N473 VanDerWaalsContact C-N 3.3Å; H471-N473 PolarHBondContact O-N 2.83Å; N473-N475 PolarHBondContact O-N 3.4Å; N473-Y503 CarbonylContact O-C 3.57Å; N473-Y503 VanDerWaalsContact O-CA 3.32Å; N473-Y503 WeakPolarHBondContact O-CA 3.33Å; N473-Y504 VanDerWaalsContact CB-O 3.23Å; N473-Y504 WeakPolarHBondContact CB-O 3.32Å; N473-Y504 PolarHBondContact ND2-O 3.43Å; N473-Y504 PolarHBondContact O-N 3.22Å
474	L	50.5	Low	46.9	Very low	13 Å²	13	62.7 Å²	62.7	7%	0.068	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	90.6	173.6	-87.2	166.4	0	0	0	110	H471 Q472 F476 I501 E502 Y503 L675	H471-L474 PolarHBondContact O-N 3.01Å; Q472-L474 VanDerWaalsContact C-N 3.3Å; L474-F476 HydrophobicContact CB-CE2 4.05Å; L474-F476 HydrophobicContact CD2-CE2 4.33Å; L474-F476 HydrophobicContact CD2-CZ 4.47Å; L474-I501 HydrophobicContact CD2-CG2 3.9Å; L474-E502 WeakPolarHBondContact CA-O 3.36Å; L474-Y503 HydrophobicContact CD2-CD2 3.68Å; L474-Y503 HydrophobicContact CD2-CE2 4.46Å; L474-Y503 HydrophobicContact CG-CD2 3.71Å; L474-Y503 HydrophobicContact CG-CE2 4.1Å; L474-L675 HydrophobicContact CB-CD1 4.38Å; L474-L675 HydrophobicContact CD1-CD1 3.75Å
475	N	51	Low	47.4	Very low	78 Å²	78	66 Å²	66	42%	0.417	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.3	-179.9	-147.9	15	0	0	0	110.2	N473 E502	N473-N475 PolarHBondContact O-N 3.4Å; N475-E502 HydrophobicContact CB-CB 4.2Å; N475-E502 PolarHBondContact N-O 3.44Å; N475-E502 PolarHBondContact O-N 3.1Å
476	F	47.8	Very low	47.6	Very low	18 Å²	18	64.2 Å²	64.2	8%	0.079	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	107.9	-179.3	-70.3	-99.6	0	0	0	110.2	L474 L499 H500 I501 F632 L675 K677	L474-F476 HydrophobicContact CB-CE2 4.05Å; L474-F476 HydrophobicContact CD2-CE2 4.33Å; L474-F476 HydrophobicContact CD2-CZ 4.47Å; F476-L499 HydrophobicContact CD1-CD1 4Å; F476-L499 HydrophobicContact CD1-CD2 4.26Å; F476-L499 HydrophobicContact CD1-CG 4.15Å; F476-L499 HydrophobicContact CE1-CD2 4.36Å; F476-H500 CarbonylContact C-O 3.34Å; F476-H500 VanDerWaalsContact CA-O 3.29Å; F476-H500 WeakPolarHBondContact CA-O 2.96Å; F476-I501 HydrophobicContact CD1-CB 4.42Å; F476-I501 HydrophobicContact CD1-CD1 4.4Å; F476-I501 HydrophobicContact CD1-CG1 3.81Å; F476-I501 HydrophobicContact CD1-CG2 4.29Å; F476-I501 HydrophobicContact CE1-CB 4.23Å; F476-I501 HydrophobicContact CE1-CD1 3.7Å; F476-I501 HydrophobicContact CE1-CG1 3.58Å; F476-I501 HydrophobicContact CE1-CG2 3.81Å; F476-I501 HydrophobicContact CE2-CG2 4.5Å; F476-I501 HydrophobicContact CZ-CD1 4.49Å; F476-I501 HydrophobicContact CZ-CG2 3.92Å; F476-F632 HydrophobicContact CE1-CE2 4.45Å; F476-F632 HydrophobicContact CE1-CZ 4.02Å; F476-F632 AromaticContact CZ-CE2 3.96Å; F476-F632 HydrophobicContact CZ-CE2 3.96Å; F476-F632 AromaticContact CZ-CZ 3.9Å; F476-F632 HydrophobicContact CZ-CZ 3.9Å; F476-L675 HydrophobicContact CD2-CD2 4.23Å; F476-L675 HydrophobicContact CE2-CD1 3.59Å; F476-L675 HydrophobicContact CE2-CD2 3.67Å; F476-L675 HydrophobicContact CE2-CG 4.21Å; F476-L675 HydrophobicContact CZ-CD1 3.95Å; F476-L675 HydrophobicContact CZ-CD2 4.2Å; F476-K677 HydrophobicContact CB-CD 3.96Å; F476-K677 PolarHBondContact O-NZ 2.9Å
477	T	48.9	Very low	47.8	Very low	21 Å²	21	65.9 Å²	65.9	13%	0.129	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	141.8	171.3	54.6	0	0	0	0	110.3	K479 H500	T477-K479 WeakPolarHBondContact OG1-CE 3.32Å; T477-H500 PolarHBondContact N-O 2.93Å; T477-H500 WeakPolarHBondContact O-CA 3.21Å; T477-H500 VanDerWaalsContact O-CB 3.25Å; T477-H500 WeakPolarHBondContact O-CB 3.03Å; T477-H500 PolarHBondContact O-N 2.83Å; T477-H500 VanDerWaalsContact OG1-CB 3.31Å; T477-H500 WeakPolarHBondContact OG1-CB 3.47Å
478	M	44.9	Very low	47.8	Very low	30 Å²	30	69 Å²	69	15%	0.148	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.6	170.4	-113.5	-178	53.6	0	0	108.3	Y486 I491 V497 H498 L679	M478-Y486 HydrophobicContact CE-CD2 4.48Å; M478-Y486 PolarHBondContact O-N 3.19Å; M478-I491 HydrophobicContact CE-CD1 4.21Å; M478-V497 HydrophobicContact CE-CB 4.48Å; M478-V497 HydrophobicContact CE-CG1 3.32Å; M478-V497 HydrophobicContact CE-CG2 4.31Å; M478-V497 HydrophobicContact CG-CG1 3.83Å; M478-V497 HydrophobicContact SD-CG1 3.55Å; M478-V497 VanDerWaalsContact SD-CG1 3.55Å; M478-H498 WeakPolarHBondContact CA-O 2.99Å; M478-L679 HydrophobicContact CE-CD1 3.88Å; M478-L679 HydrophobicContact CE-CD2 3.38Å; M478-L679 HydrophobicContact CE-CG 4.28Å; M478-L679 HydrophobicContact SD-CD1 3.72Å; M478-L679 HydrophobicContact SD-CD2 3.64Å; M478-L679 HydrophobicContact SD-CG 4.27Å
479	K	48.1	Very low	47.7	Very low	31 Å²	31	70 Å²	70	14%	0.135	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.4	179.6	-65.8	168.8	-174	160.6	0	107.9	T477 H498 H500	T477-K479 WeakPolarHBondContact OG1-CE 3.32Å; K479-H498 PolarHBondContact N-O 3.46Å; K479-H498 PolarHBondContact O-N 2.88Å; K479-H500 PolarHBondContact NZ-ND1 2.76Å; K479-H500 VanDerWaalsContact NZ-ND1 3.14Å
480	N	49.7	Very low	47.7	Very low	10 Å²	10	71.5 Å²	71.5	5%	0.053	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	179.5	164.8	66.7	-5.4	0	0	0	110.4	L482 N483 T484 Y486 E495	N480-L482 PolarHBondContact O-N 3.25Å; N480-L482 PolarHBondContact OD1-N 3.43Å; N480-L482 VanDerWaalsContact OD1-N 3.15Å; N480-N483 PolarHBondContact O-N 3.49Å; N480-N483 PolarHBondContact OD1-N 3.29Å; N480-T484 VanDerWaalsContact CG-OG1 3.25Å; N480-T484 PolarHBondContact ND2-OG1 3.29Å; N480-T484 VanDerWaalsContact ND2-OG1 3.13Å; N480-T484 PolarHBondContact OD1-N 2.98Å; N480-T484 PolarHBondContact OD1-O 3.31Å; N480-T484 PolarHBondContact OD1-OG1 3.17Å; N480-Y486 HydrophobicContact CB-CE2 3.72Å; N480-E495 WeakPolarHBondContact CB-OE2 3.02Å; N480-E495 PolarHBondContact ND2-OE2 3.25Å
481	D	43.5	Very low	47.7	Very low	69 Å²	69	71.7 Å²	71.7	37%	0.369	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-20.6	175.9	-61.6	-50.4	0	0	0	114.2	S496 H498 M596	D481-S496 PolarHBondContact OD1-OG 2.79Å; D481-S496 PolarHBondContact OD2-N 2.88Å; D481-S496 PolarHBondContact OD2-OG 3.34Å; D481-H498 IonicContact OD1-CD2 3.79Å; D481-H498 IonicContact OD1-CE1 3.54Å; D481-H498 IonicContact OD1-NE2 3.87Å; D481-H498 PolarHBondContact OD1-NE2 3.2Å; D481-M596 WeakPolarHBondContact O-CE 3.48Å
482	L	45.9	Very low	47.4	Very low	123 Å²	123	71.1 Å²	71.1	64%	0.644	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	6.8	178.3	-64.5	172.3	0	0	0	113.8	N480 T484	N480-L482 PolarHBondContact O-N 3.25Å; N480-L482 PolarHBondContact OD1-N 3.43Å; N480-L482 VanDerWaalsContact OD1-N 3.15Å; L482-T484 PolarHBondContact O-N 2.92Å
483	N	46.9	Very low	46.7	Very low	87 Å²	87	69.9 Å²	69.9	47%	0.465	37%	0.374	S	S	.	.			trans	57.7	9.9	-173	-97.6	-23.8	0	0	0	114.6	N480 E485	N480-N483 PolarHBondContact O-N 3.49Å; N480-N483 PolarHBondContact OD1-N 3.29Å; N483-E485 PolarHBondContact O-N 3.33Å
484	T	46.9	Very low	46.2	Very low	80 Å²	80	78 Å²	78	49%	0.491	41%	0.408	S	S	.	.			trans	-70.7	116.9	169.9	39.8	0	0	0	0	108.3	N480 L482 Y486	N480-T484 VanDerWaalsContact CG-OG1 3.25Å; N480-T484 PolarHBondContact ND2-OG1 3.29Å; N480-T484 VanDerWaalsContact ND2-OG1 3.13Å; N480-T484 PolarHBondContact OD1-N 2.98Å; N480-T484 PolarHBondContact OD1-O 3.31Å; N480-T484 PolarHBondContact OD1-OG1 3.17Å; L482-T484 PolarHBondContact O-N 2.92Å; T484-Y486 PolarHBondContact O-N 2.83Å
485	E	48.2	Very low	45.9	Very low	126 Å²	126	80.4 Å²	80.4	59%	0.589	42%	0.419	S	S	*	.	B	Isolated β-bridge	trans	-54.6	133	163	-66.6	-172.2	135.6	0	0	107.7	N483 P487	N483-E485 PolarHBondContact O-N 3.33Å; E485-P487 WeakPolarHBondContact O-CD 3.47Å
486	Y	45.3	Very low	45.4	Very low	60 Å²	60	79.1 Å²	79.1	24%	0.235	42%	0.416	C	S	.	.			trans	-73.2	106.8	176.5	-94.6	-76.2	0	0	0	110.6	M478 N480 T484 I490 I491 E495	M478-Y486 HydrophobicContact CE-CD2 4.48Å; M478-Y486 PolarHBondContact O-N 3.19Å; N480-Y486 HydrophobicContact CB-CE2 3.72Å; T484-Y486 PolarHBondContact O-N 2.83Å; Y486-I490 WeakPolarHBondContact CE1-O 3Å; Y486-I491 HydrophobicContact CE1-CG1 3.96Å; Y486-I491 HydrophobicContact CE2-CG1 4.24Å; Y486-E495 PolarHBondContact OH-OE2 2.62Å
487	P	46.3	Very low	45.1	Very low	107 Å²	107	81.2 Å²	81.2	70%	0.695	43%	0.43	S	S	*	.			trans	-62.2	149.2	147.2	34.1	-35.2	0	0	0	106.9	E485 T489	E485-P487 WeakPolarHBondContact O-CD 3.47Å; P487-T489 PolarHBondContact O-N 3.17Å
488	Q	41.9	Very low	45.1	Very low	183 Å²	183	83.2 Å²	83.2	86%	0.855	44%	0.438	S	S	*	.	S	Bend	trans	-52.3	140.8	-174.7	-63	171.4	-9.4	0	0	112.4
489	T	45.9	Very low	45.2	Very low	89 Å²	89	84.6 Å²	84.6	55%	0.546	45%	0.446	S	S	.	.	S	Bend	trans	95.1	131.5	169	73.5	0	0	0	0	118.6	P487	P487-T489 PolarHBondContact O-N 3.17Å
490	I	44.7	Very low	45.4	Very low	97 Å²	97	84.9 Å²	84.9	50%	0.497	45%	0.447	S	S	.	.			trans	73.9	92	174.2	-44.5	174.3	0	0	0	114.9	Y486	Y486-I490 WeakPolarHBondContact CE1-O 3Å
491	I	46.9	Very low	45.3	Very low	30 Å²	30	87 Å²	87	15%	0.154	46%	0.458	C	S	.	.			trans	-93.2	126.7	160.1	-58	174.6	0	0	0	107.1	M478 Y486 V497 L679 I681	M478-I491 HydrophobicContact CE-CD1 4.21Å; Y486-I491 HydrophobicContact CE1-CG1 3.96Å; Y486-I491 HydrophobicContact CE2-CG1 4.24Å; I491-V497 HydrophobicContact CD1-CG2 4.22Å; I491-V497 HydrophobicContact CG2-CG2 4.21Å; I491-L679 HydrophobicContact CD1-CD2 4.24Å; I491-I681 HydrophobicContact CD1-CG1 4.3Å; I491-I681 HydrophobicContact CD1-CG2 4.33Å
492	N	46.2	Very low	45.6	Very low	80 Å²	80	86.2 Å²	86.2	43%	0.428	45%	0.452	S	S	.	.			trans	-73.8	129.1	170.7	-173.6	-14.8	0	0	0	108.6	K494 E495	N492-K494 PolarHBondContact O-N 3.38Å; N492-E495 HydrophobicContact CB-CG 4.13Å; N492-E495 WeakPolarHBondContact CB-OE1 3.36Å; N492-E495 PolarHBondContact O-N 3.23Å
493	P	39.4	Very low	45.7	Very low	113 Å²	113	82.7 Å²	82.7	73%	0.734	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-2.2	-177.2	24	-35.7	0	0	0	115.5
494	K	40.5	Very low	45.8	Very low	193 Å²	193	84.5 Å²	84.5	84%	0.839	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-5.4	172.5	-63.3	-172.7	176.6	-173.9	0	114.7	N492	N492-K494 PolarHBondContact O-N 3.38Å
495	E	45.3	Very low	45.7	Very low	64 Å²	64	84.1 Å²	84.1	30%	0.299	42%	0.424	S	S	.	.	S	Bend	trans	-89.4	137.5	178.3	-76.4	176	-136.1	0	0	111	N480 Y486 N492	N480-E495 WeakPolarHBondContact CB-OE2 3.02Å; N480-E495 PolarHBondContact ND2-OE2 3.25Å; Y486-E495 PolarHBondContact OH-OE2 2.62Å; N492-E495 HydrophobicContact CB-CG 4.13Å; N492-E495 WeakPolarHBondContact CB-OE1 3.36Å; N492-E495 PolarHBondContact O-N 3.23Å
496	S	41.2	Very low	45.8	Very low	51 Å²	51	84.3 Å²	84.3	36%	0.357	43%	0.425	S	S	.	.			trans	-84.6	146.2	172.3	95	0	0	0	0	110.8	D481 H498	D481-S496 PolarHBondContact OD1-OG 2.79Å; D481-S496 PolarHBondContact OD2-N 2.88Å; D481-S496 PolarHBondContact OD2-OG 3.34Å; S496-H498 PolarHBondContact OG-CE1 2.92Å; S496-H498 PolarHBondContact OG-NE2 3.39Å
497	V	41.4	Very low	46.1	Very low	62 Å²	62	86.9 Å²	86.9	38%	0.376	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	114	-172.5	166.9	0	0	0	0	109.2	M478 I491	M478-V497 HydrophobicContact CE-CB 4.48Å; M478-V497 HydrophobicContact CE-CG1 3.32Å; M478-V497 HydrophobicContact CE-CG2 4.31Å; M478-V497 HydrophobicContact CG-CG1 3.83Å; M478-V497 HydrophobicContact SD-CG1 3.55Å; M478-V497 VanDerWaalsContact SD-CG1 3.55Å; I491-V497 HydrophobicContact CD1-CG2 4.22Å; I491-V497 HydrophobicContact CG2-CG2 4.21Å
498	H	48.2	Very low	46.3	Very low	63 Å²	63	88.9 Å²	88.9	29%	0.292	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.8	-178.4	-58.2	-79.3	0	0	0	110.6	M478 K479 D481 S496 H500	M478-H498 WeakPolarHBondContact CA-O 2.99Å; K479-H498 PolarHBondContact N-O 3.46Å; K479-H498 PolarHBondContact O-N 2.88Å; D481-H498 IonicContact OD1-CD2 3.79Å; D481-H498 IonicContact OD1-CE1 3.54Å; D481-H498 IonicContact OD1-NE2 3.87Å; D481-H498 PolarHBondContact OD1-NE2 3.2Å; S496-H498 PolarHBondContact OG-CE1 2.92Å; S496-H498 PolarHBondContact OG-NE2 3.39Å; H498-H500 PolarHBondContact O-N 2.89Å
499	L	47.3	Very low	47.1	Very low	59 Å²	59	82 Å²	82	31%	0.309	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	96.9	170.6	-173.6	73.6	0	0	0	109.3	F476 I501	F476-L499 HydrophobicContact CD1-CD1 4Å; F476-L499 HydrophobicContact CD1-CD2 4.26Å; F476-L499 HydrophobicContact CD1-CG 4.15Å; F476-L499 HydrophobicContact CE1-CD2 4.36Å; L499-I501 HydrophobicContact CD2-CD1 4.4Å; L499-I501 HydrophobicContact CD2-CG1 4.46Å; L499-I501 HydrophobicContact CG-CG1 4.38Å
500	H	51.1	Low	47.6	Very low	36 Å²	36	79.1 Å²	79.1	17%	0.167	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	127.1	174.7	-126.8	-120.9	0	0	0	109.6	F476 T477 K479 H498 V593	F476-H500 CarbonylContact C-O 3.34Å; F476-H500 VanDerWaalsContact CA-O 3.29Å; F476-H500 WeakPolarHBondContact CA-O 2.96Å; T477-H500 PolarHBondContact N-O 2.93Å; T477-H500 WeakPolarHBondContact O-CA 3.21Å; T477-H500 VanDerWaalsContact O-CB 3.25Å; T477-H500 WeakPolarHBondContact O-CB 3.03Å; T477-H500 PolarHBondContact O-N 2.83Å; T477-H500 VanDerWaalsContact OG1-CB 3.31Å; T477-H500 WeakPolarHBondContact OG1-CB 3.47Å; K479-H500 PolarHBondContact NZ-ND1 2.76Å; K479-H500 VanDerWaalsContact NZ-ND1 3.14Å; H498-H500 PolarHBondContact O-N 2.89Å; H500-V593 PolarHBondContact CE1-O 2.93Å; H500-V593 PolarHBondContact NE2-O 3.23Å
501	I	49.4	Very low	48.3	Very low	54 Å²	54	76 Å²	76	28%	0.277	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	104.9	177.9	-45.7	-178.1	0	0	0	108.6	L474 F476 L499 F632	L474-I501 HydrophobicContact CD2-CG2 3.9Å; F476-I501 HydrophobicContact CD1-CB 4.42Å; F476-I501 HydrophobicContact CD1-CD1 4.4Å; F476-I501 HydrophobicContact CD1-CG1 3.81Å; F476-I501 HydrophobicContact CD1-CG2 4.29Å; F476-I501 HydrophobicContact CE1-CB 4.23Å; F476-I501 HydrophobicContact CE1-CD1 3.7Å; F476-I501 HydrophobicContact CE1-CG1 3.58Å; F476-I501 HydrophobicContact CE1-CG2 3.81Å; F476-I501 HydrophobicContact CE2-CG2 4.5Å; F476-I501 HydrophobicContact CZ-CD1 4.49Å; F476-I501 HydrophobicContact CZ-CG2 3.92Å; L499-I501 HydrophobicContact CD2-CD1 4.4Å; L499-I501 HydrophobicContact CD2-CG1 4.46Å; L499-I501 HydrophobicContact CG-CG1 4.38Å; I501-F632 HydrophobicContact CD1-CE1 3.9Å; I501-F632 HydrophobicContact CD1-CZ 4.02Å
502	E	49.3	Very low	49	Very low	54 Å²	54	77.3 Å²	77.3	25%	0.252	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.3	172.8	-62.1	178.2	166.8	0	0	109.2	L474 N475 Y504	L474-E502 WeakPolarHBondContact CA-O 3.36Å; N475-E502 HydrophobicContact CB-CB 4.2Å; N475-E502 PolarHBondContact N-O 3.44Å; N475-E502 PolarHBondContact O-N 3.1Å; E502-Y504 HydrophobicContact CB-CD2 4.42Å; E502-Y504 HydrophobicContact CB-CE2 3.84Å; E502-Y504 PolarHBondContact OE2-OH 3.17Å
503	Y	48	Very low	49.8	Very low	49 Å²	49	74.1 Å²	74.1	19%	0.192	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	105.6	174.3	-172.5	-99.4	0	0	0	111	L470 N473 L474 F505 L587	L470-Y503 HydrophobicContact CD2-CE2 4.06Å; L470-Y503 WeakPolarHBondContact CD2-OH 3.36Å; N473-Y503 CarbonylContact O-C 3.57Å; N473-Y503 VanDerWaalsContact O-CA 3.32Å; N473-Y503 WeakPolarHBondContact O-CA 3.33Å; L474-Y503 HydrophobicContact CD2-CD2 3.68Å; L474-Y503 HydrophobicContact CD2-CE2 4.46Å; L474-Y503 HydrophobicContact CG-CD2 3.71Å; L474-Y503 HydrophobicContact CG-CE2 4.1Å; Y503-F505 AromaticContact CD1-CD2 3.73Å; Y503-F505 HydrophobicContact CD1-CD2 3.73Å; Y503-F505 HydrophobicContact CD1-CE2 4.25Å; Y503-F505 AromaticContact CE1-CD2 3.52Å; Y503-F505 HydrophobicContact CE1-CD2 3.52Å; Y503-F505 AromaticContact CE1-CE2 3.78Å; Y503-F505 HydrophobicContact CE1-CE2 3.78Å; Y503-F505 HydrophobicContact CE1-CG 4.29Å; Y503-F505 PolarHBondContact O-N 3.34Å; Y503-L587 HydrophobicContact CD1-CD1 4.22Å; Y503-L587 HydrophobicContact CD1-CD2 4.24Å; Y503-L587 HydrophobicContact CE1-CD1 4.3Å; Y503-L587 HydrophobicContact CG-CD2 4.45Å
504	Y	49.4	Very low	50.9	Low	125 Å²	125	68.7 Å²	68.7	49%	0.49	34%	0.335	S	S	.	.			trans	-82.8	111.6	-179.6	-73.3	-84.6	0	0	0	111.9	N473 E502	N473-Y504 VanDerWaalsContact CB-O 3.23Å; N473-Y504 WeakPolarHBondContact CB-O 3.32Å; N473-Y504 PolarHBondContact ND2-O 3.43Å; N473-Y504 PolarHBondContact O-N 3.22Å; E502-Y504 HydrophobicContact CB-CD2 4.42Å; E502-Y504 HydrophobicContact CB-CE2 3.84Å; E502-Y504 PolarHBondContact OE2-OH 3.17Å
505	F	44.1	Very low	52	Low	72 Å²	72	60.3 Å²	60.3	32%	0.316	30%	0.299	S	S	.	.			trans	-82.6	120.4	-175.7	-134.3	-81.9	0	0	0	112.1	Y503 N507 Y510 L587	Y503-F505 AromaticContact CD1-CD2 3.73Å; Y503-F505 HydrophobicContact CD1-CD2 3.73Å; Y503-F505 HydrophobicContact CD1-CE2 4.25Å; Y503-F505 AromaticContact CE1-CD2 3.52Å; Y503-F505 HydrophobicContact CE1-CD2 3.52Å; Y503-F505 AromaticContact CE1-CE2 3.78Å; Y503-F505 HydrophobicContact CE1-CE2 3.78Å; Y503-F505 HydrophobicContact CE1-CG 4.29Å; Y503-F505 PolarHBondContact O-N 3.34Å; F505-N507 WeakPolarHBondContact CE1-O 3.02Å; F505-Y510 WeakPolarHBondContact CE2-O 3.42Å; F505-Y510 WeakPolarHBondContact CZ-O 2.95Å; F505-L587 HydrophobicContact CD2-CB 4.28Å; F505-L587 HydrophobicContact CE2-CB 3.83Å; F505-L587 HydrophobicContact CE2-CD1 4.27Å
506	Q	49.8	Very low	52.6	Low	130 Å²	130	58.5 Å²	58.5	61%	0.607	29%	0.291	S	S	*	.			trans	-119.2	-13.5	170.7	-79.3	-166.3	-7.6	0	0	115.2
507	N	51.2	Low	53.5	Low	114 Å²	114	60 Å²	60	61%	0.61	29%	0.292	S	S	*	.	S	Bend	trans	-148.7	132.4	-179.3	-90.8	-38.3	0	0	0	112.7	F505 S509	F505-N507 WeakPolarHBondContact CE1-O 3.02Å; N507-S509 PolarHBondContact O-N 3.18Å
508	N	52.2	Low	54.1	Low	149 Å²	149	59.2 Å²	59.2	80%	0.797	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	17.2	-170.6	-74.2	0.5	0	0	0	118.2
509	S	56.9	Low	54.3	Low	38 Å²	38	58.4 Å²	58.4	27%	0.266	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-16.4	-170.1	58.7	0	0	0	0	116	N507 Q636	N507-S509 PolarHBondContact O-N 3.18Å; S509-Q636 WeakPolarHBondContact O-CB 3.25Å; S509-Q636 WeakPolarHBondContact O-CG 3.42Å
510	Y	58.2	Low	54.4	Low	29 Å²	29	57.3 Å²	57.3	11%	0.114	28%	0.284	C	S	.	.			trans	-141.9	94	-169.2	-68.7	-63.4	0	0	0	113.6	L470 F505 L587 V634 C635 S671	L470-Y510 HydrophobicContact CD1-CE2 4.26Å; F505-Y510 WeakPolarHBondContact CE2-O 3.42Å; F505-Y510 WeakPolarHBondContact CZ-O 2.95Å; Y510-L587 WeakPolarHBondContact O-CD1 3.38Å; Y510-V634 HydrophobicContact CD1-CB 4.45Å; Y510-V634 HydrophobicContact CD1-CG1 4.32Å; Y510-V634 HydrophobicContact CG-CG1 4.11Å; Y510-C635 CarbonylContact C-O 3.59Å; Y510-S671 PolarHBondContact OH-OG 2.83Å
511	T	57.9	Low	54.3	Low	32 Å²	32	57.8 Å²	57.8	20%	0.196	29%	0.292	C	S	.	.			trans	-91.9	-5.1	-172.5	45.3	0	0	0	0	115.5	L587 C635 Q636	T511-L587 WeakPolarHBondContact O-CB 3.46Å; T511-L587 PolarHBondContact O-N 3.2Å; T511-C635 PolarHBondContact N-O 2.04Å; T511-Q636 PolarHBondContact OG1-O 2.92Å
512	Y	61.8	Low	54.2	Low	56 Å²	56	60.6 Å²	60.6	22%	0.22	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.4	-179.2	-56.7	-87.7	0	0	0	111.6	T584 I585 P586 V634 C635 I638	Y512-T584 HydrophobicContact CD1-CG2 4.3Å; Y512-I585 WeakPolarHBondContact CA-O 3.06Å; Y512-P586 HydrophobicContact CD1-CB 4.4Å; Y512-P586 HydrophobicContact CE1-CB 4.26Å; Y512-V634 CarbonylContact O-C 3.55Å; Y512-V634 WeakPolarHBondContact O-CA 3.33Å; Y512-V634 WeakPolarHBondContact O-CG1 3.39Å; Y512-C635 PolarHBondContact N-O 3.32Å; Y512-C635 PolarHBondContact O-N 3.11Å; Y512-I638 HydrophobicContact CD1-CB 4.03Å; Y512-I638 HydrophobicContact CD1-CD1 4.38Å; Y512-I638 HydrophobicContact CD1-CG1 4.13Å; Y512-I638 HydrophobicContact CD2-CB 4.28Å; Y512-I638 HydrophobicContact CE1-CB 3.74Å; Y512-I638 HydrophobicContact CE1-CD1 4.01Å; Y512-I638 HydrophobicContact CE1-CG1 4.05Å; Y512-I638 HydrophobicContact CE2-CB 4.01Å; Y512-I638 VanDerWaalsContact CE2-N 3.28Å; Y512-I638 HydrophobicContact CG-CB 4.3Å
513	I	63	Low	53.9	Low	13 Å²	13	61 Å²	61	7%	0.067	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.1	167.1	-169.1	164.3	0	0	0	109.8	T584 I585 L587 F632 R633 V634	I513-T584 CarbonylContact O-C 3.48Å; I513-T584 WeakPolarHBondContact O-CA 3.49Å; I513-I585 HydrophobicContact CG2-CB 3.91Å; I513-I585 PolarHBondContact N-O 3.48Å; I513-I585 PolarHBondContact O-N 2.69Å; I513-L587 HydrophobicContact CB-CD1 4.24Å; I513-L587 HydrophobicContact CB-CD2 4.49Å; I513-L587 HydrophobicContact CG2-CD1 4.49Å; I513-L587 HydrophobicContact CG2-CD2 3.89Å; I513-L587 HydrophobicContact CG2-CG 4.29Å; I513-F632 HydrophobicContact CD1-CB 4.03Å; I513-F632 HydrophobicContact CD1-CD1 3.73Å; I513-F632 HydrophobicContact CD1-CG 4.11Å; I513-F632 HydrophobicContact CG1-CB 4.17Å; I513-F632 HydrophobicContact CG1-CD1 4.1Å; I513-R633 CarbonylContact C-O 3.56Å; I513-R633 WeakPolarHBondContact CA-O 3.27Å; I513-V634 HydrophobicContact CD1-CG2 4.26Å; I513-V634 HydrophobicContact CG1-CG2 4.24Å
514	S	63.8	Low	53.2	Low	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.8	171.5	166.6	0	0	0	0	108.6	E516 F583 F632 R633	S514-E516 WeakPolarHBondContact CB-OE1 3.42Å; S514-E516 PolarHBondContact OG-OE1 2.68Å; S514-F583 WeakPolarHBondContact CA-O 3.22Å; S514-F632 CarbonylContact O-C 3.45Å; S514-F632 VanDerWaalsContact O-CA 3.31Å; S514-F632 WeakPolarHBondContact O-CA 3.5Å; S514-R633 PolarHBondContact N-O 2.78Å; S514-R633 PolarHBondContact O-N 2.83Å
515	I	62.2	Low	52.6	Low	16 Å²	16	59.2 Å²	59.2	8%	0.082	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	111.5	168.7	-50.9	-177.9	0	0	0	106.8	F536 N582 F583 F632	I515-F536 HydrophobicContact CD1-CE1 3.87Å; I515-F536 HydrophobicContact CD1-CE2 4.43Å; I515-F536 HydrophobicContact CD1-CZ 3.66Å; I515-N582 WeakPolarHBondContact O-CA 3.44Å; I515-N582 PolarHBondContact O-OD1 3.49Å; I515-F583 PolarHBondContact N-O 3.26Å; I515-F632 HydrophobicContact CD1-CE1 4.17Å; I515-F632 HydrophobicContact CG1-CD1 3.94Å; I515-F632 HydrophobicContact CG1-CE1 3.87Å; I515-F632 HydrophobicContact CG2-CE1 4.5Å
516	E	58.4	Low	52.3	Low	26 Å²	26	64.3 Å²	64.3	12%	0.121	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-35.1	-177.6	-56.4	-71.6	137.2	0	0	111.9	S514 N582 V631 R633 W643	S514-E516 WeakPolarHBondContact CB-OE1 3.42Å; S514-E516 PolarHBondContact OG-OE1 2.68Å; E516-N582 PolarHBondContact O-OD1 3.25Å; E516-V631 HydrophobicContact CB-CB 4.39Å; E516-V631 HydrophobicContact CB-CG1 4.19Å; E516-V631 HydrophobicContact CG-CG1 4.46Å; E516-V631 PolarHBondContact N-O 3.15Å; E516-R633 VanDerWaalsContact CD-NH2 3.34Å; E516-R633 HydrophobicContact CG-CB 3.93Å; E516-R633 WeakPolarHBondContact OE1-CB 3.42Å; E516-R633 IonicContact OE1-CZ 2.73Å; E516-R633 IonicContact OE1-NE 3.91Å; E516-R633 PolarHBondContact OE1-NE 3.11Å; E516-R633 IonicContact OE1-NH2 3.57Å; E516-R633 PolarHBondContact OE1-NH2 3.01Å; E516-R633 IonicContact OE2-CZ 3.19Å; E516-R633 IonicContact OE2-NE 3.83Å; E516-R633 IonicContact OE2-NH2 2.75Å; E516-R633 PolarHBondContact OE2-NH2 3.43Å; E516-W643 PolarHBondContact OE2-NE1 3.43Å
517	Q	60.3	Low	51.6	Low	84 Å²	84	60.8 Å²	60.8	39%	0.393	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	140.1	180	-170.4	178.6	15.1	0	0	109.7	C630 V631	Q517-C630 CarbonylContact O-C 3.59Å; Q517-C630 VanDerWaalsContact O-CA 3.29Å; Q517-C630 WeakPolarHBondContact O-CA 3.02Å; Q517-V631 HydrophobicContact CB-CB 4.39Å; Q517-V631 HydrophobicContact CB-CG2 4.46Å; Q517-V631 PolarHBondContact N-O 2.95Å; Q517-V631 PolarHBondContact O-N 3.08Å
518	C	53.7	Low	50.6	Low	44 Å²	44	65.3 Å²	65.3	30%	0.297	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.9	157.6	-72.9	0	0	0	0	108.7	N629 C630	C518-N629 CarbonylContact C-O 3.56Å; C518-N629 WeakPolarHBondContact CA-O 3.28Å; C518-C630 HydrophobicContact CB-CB 4.24Å; C518-C630 WeakPolarHBondContact CB-SG 3.42Å; C518-C630 WeakPolarHBondContact SG-CB 3.49Å; C518-C630 CovalentContact SG-SG 2.05Å; C518-C630 PolarHBondContact SG-SG 2.81Å
519	S	51.5	Low	49.6	Very low	47 Å²	47	61.8 Å²	61.8	33%	0.329	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.5	175.3	55.8	0	0	0	0	110.5	N629	S519-N629 PolarHBondContact N-O 2.96Å; S519-N629 PolarHBondContact O-N 3.07Å
520	I	49.4	Very low	48.3	Very low	35 Å²	35	67.1 Å²	67.1	18%	0.179	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.5	175.2	-59.3	-179.6	0	0	0	107.1	P522 I532 L577 L626 H627 I628	I520-P522 WeakPolarHBondContact O-CD 3.47Å; I520-I532 HydrophobicContact CD1-CD1 3.73Å; I520-I532 HydrophobicContact CD1-CG2 4.03Å; I520-L577 VanDerWaalsContact O-CD2 3.3Å; I520-L577 WeakPolarHBondContact O-CD2 3.41Å; I520-L626 HydrophobicContact CG2-CD1 3.67Å; I520-L626 HydrophobicContact CG2-CD2 4.01Å; I520-L626 HydrophobicContact CG2-CG 3.69Å; I520-H627 CarbonylContact C-O 3.56Å; I520-H627 WeakPolarHBondContact CA-O 3.45Å; I520-I628 HydrophobicContact CG1-CG1 4.42Å
521	S	51	Low	46.8	Very low	47 Å²	47	70.8 Å²	70.8	33%	0.329	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	123.4	175.4	-175	0	0	0	0	110.1	T523 H627	S521-T523 PolarHBondContact O-N 3.19Å; S521-T523 WeakPolarHBondContact OG-CG2 3.07Å; S521-H627 PolarHBondContact N-O 2.03Å
522	P	45.9	Very low	45.4	Very low	112 Å²	112	73.8 Å²	73.8	73%	0.727	40%	0.395	S	S	*	.			trans	-74.4	90.1	171.1	30.5	-33.1	0	0	0	109.6	I520	I520-P522 WeakPolarHBondContact O-CD 3.47Å
523	T	43	Very low	43.8	Very low	64 Å²	64	75.6 Å²	75.6	39%	0.393	41%	0.407	S	S	.	.			trans	-94.5	3.1	-177.5	53.9	0	0	0	0	114.7	S521 E625	S521-T523 PolarHBondContact O-N 3.19Å; S521-T523 WeakPolarHBondContact OG-CG2 3.07Å; T523-E625 WeakPolarHBondContact CB-O 3.22Å; T523-E625 WeakPolarHBondContact CG2-O 3.3Å; T523-E625 PolarHBondContact OG1-O 3.12Å
524	S	33.7	Very low	42.3	Very low	16 Å²	16	78.9 Å²	78.9	11%	0.112	42%	0.424	C	S	.	.			trans	-133.5	125.9	179	-178	0	0	0	0	111.3	Y526 T527	S524-Y526 PolarHBondContact O-N 3.04Å; S524-Y526 VanDerWaalsContact O-N 3.15Å; S524-Y526 PolarHBondContact OG-N 3.34Å; S524-T527 PolarHBondContact O-OG1 3.32Å
525	P	36.9	Very low	40.5	Very low	119 Å²	119	84.2 Å²	84.2	77%	0.773	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	0.5	171.2	30.5	-34	0	0	0	113.1
526	Y	37.1	Very low	39	Very low	180 Å²	180	88.3 Å²	88.3	71%	0.706	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-6.4	-176.2	-58.6	-72.6	0	0	0	114.4	S524 K528	S524-Y526 PolarHBondContact O-N 3.04Å; S524-Y526 VanDerWaalsContact O-N 3.15Å; S524-Y526 PolarHBondContact OG-N 3.34Å; Y526-K528 PolarHBondContact O-N 3.11Å
527	T	35.3	Very low	37.5	Very low	56 Å²	56	94.8 Å²	94.8	34%	0.344	49%	0.493	S	S	.	.			trans	-90.1	83.8	176.3	49	0	0	0	0	111.1	S524 S529 I683	S524-T527 PolarHBondContact O-OG1 3.32Å; T527-S529 PolarHBondContact O-N 3.21Å; T527-S529 VanDerWaalsContact O-N 3.11Å; T527-I683 HydrophobicContact CG2-CD1 4.45Å
528	K	29.6	Very low	36	Very low	209 Å²	209	95.8 Å²	95.8	91%	0.909	50%	0.497	S	S	*	.			trans	-69.6	83.1	138.4	-87.7	-173.1	172.3	-176.2	0	106.1	Y526	Y526-K528 PolarHBondContact O-N 3.11Å
529	S	32.2	Very low	34.7	Very low	75 Å²	75	96.6 Å²	96.6	52%	0.524	50%	0.497	S	S	.	.			trans	-97.2	114.5	173.7	53.1	0	0	0	0	108.5	T527	T527-S529 PolarHBondContact O-N 3.21Å; T527-S529 VanDerWaalsContact O-N 3.11Å
530	D	28.8	Very low	33.6	Very low	150 Å²	150	101.7 Å²	101.7	80%	0.802	52%	0.519	S	S	*	.			trans	-58.4	162.1	168.5	-53.2	-62.1	0	0	0	111.1	I532	D530-I532 PolarHBondContact O-N 2.92Å
531	E	26.8	Very low	32.8	Very low	105 Å²	105	104.7 Å²	104.7	49%	0.491	54%	0.538	S	S	.	.			trans	-15.3	111.1	-172.7	-58.6	-172.8	126.7	0	0	118	I533 H573	E531-I533 HydrophobicContact CB-CG1 4.21Å; E531-I533 PolarHBondContact O-N 3Å; E531-H573 IonicContact OE1-CE1 3.72Å; E531-H573 PolarHBondContact OE1-CE1 2.95Å; E531-H573 IonicContact OE1-ND1 3.72Å; E531-H573 PolarHBondContact OE1-ND1 2.62Å
532	I	29.5	Very low	31.7	Very low	96 Å²	96	107.5 Å²	107.5	49%	0.492	56%	0.558	S	S	.	*			trans	-87.2	97.8	163.2	-58.1	178.5	0	0	0	108.6	I520 D530 I534	I520-I532 HydrophobicContact CD1-CD1 3.73Å; I520-I532 HydrophobicContact CD1-CG2 4.03Å; D530-I532 PolarHBondContact O-N 2.92Å; I532-I534 HydrophobicContact CG2-CG1 4.45Å
533	I	28.5	Very low	31.2	Very low	93 Å²	93	107.7 Å²	107.7	48%	0.477	56%	0.559	S	S	.	*			trans	-87.5	117.3	176	-51.5	178	0	0	0	109.2	E531 L535	E531-I533 HydrophobicContact CB-CG1 4.21Å; E531-I533 PolarHBondContact O-N 3Å; I533-L535 HydrophobicContact CG2-CD2 3.81Å; I533-L535 HydrophobicContact CG2-CG 3.92Å
534	I	29.9	Very low	30.7	Very low	82 Å²	82	111.4 Å²	111.4	42%	0.421	58%	0.577	S	S	.	*			trans	-95.8	108.9	172.1	-55.2	177.2	0	0	0	108.3	I532 F536	I532-I534 HydrophobicContact CG2-CG1 4.45Å; I534-F536 HydrophobicContact CG2-CD2 4.06Å; I534-F536 HydrophobicContact CG2-CE2 3.43Å; I534-F536 VanDerWaalsContact CG2-CE2 3.43Å; I534-F536 HydrophobicContact CG2-CZ 3.81Å
535	L	27.4	Very low	30.6	Very low	112 Å²	112	115.3 Å²	115.3	59%	0.586	60%	0.6	S	S	*	*			trans	-99.7	134.7	175.5	-62.6	174.3	0	0	0	110.3	I533	I533-L535 HydrophobicContact CG2-CD2 3.81Å; I533-L535 HydrophobicContact CG2-CG 3.92Å
536	F	31	Very low	30.3	Very low	103 Å²	103	119.5 Å²	119.5	45%	0.452	60%	0.602	S	S	.	*			trans	-119	139.6	170.3	-70.3	-78.5	0	0	0	109.6	I515 I534	I515-F536 HydrophobicContact CD1-CE1 3.87Å; I515-F536 HydrophobicContact CD1-CE2 4.43Å; I515-F536 HydrophobicContact CD1-CZ 3.66Å; I534-F536 HydrophobicContact CG2-CD2 4.06Å; I534-F536 HydrophobicContact CG2-CE2 3.43Å; I534-F536 VanDerWaalsContact CG2-CE2 3.43Å; I534-F536 HydrophobicContact CG2-CZ 3.81Å
537	W	26.5	Very low	29.8	Very low	162 Å²	162	116.8 Å²	116.8	61%	0.614	60%	0.599	S	S	*	*			trans	-136.3	144.2	-176.6	-146.3	47.1	0	0	0	109.8	V593	W537-V593 HydrophobicContact CB-CG1 3.94Å; W537-V593 HydrophobicContact CE3-CG1 4.11Å; W537-V593 WeakPolarHBondContact O-CG1 3.3Å
538	E	27.5	Very low	29.6	Very low	105 Å²	105	124.6 Å²	124.6	49%	0.491	62%	0.623	S	S	.	*			trans	-121.8	120.7	-176.3	-171.2	175.2	-145.1	0	0	109.2
539	E	27.2	Very low	29.5	Very low	61 Å²	61	118.5 Å²	118.5	29%	0.285	62%	0.62	S	S	.	*			trans	-110.4	112.5	-175.4	-164.4	176.3	173.8	0	0	110.5	V541 V593 S594	E539-V541 HydrophobicContact CG-CG2 4.16Å; E539-V541 PolarHBondContact O-N 2.04Å; E539-V593 HydrophobicContact CB-CG2 4.4Å; E539-V593 WeakPolarHBondContact OE2-CA 3.31Å; E539-S594 PolarHBondContact OE2-N 3Å
540	I	29.6	Very low	29.4	Very low	153 Å²	153	119.6 Å²	119.6	79%	0.785	63%	0.634	S	S	*	*			trans	-91.9	97.3	179.9	-57.2	177	0	0	0	109.7
541	V	31.7	Very low	29.2	Very low	98 Å²	98	119.6 Å²	119.6	59%	0.594	63%	0.633	S	S	*	*			trans	-95.9	115.9	175	-174.6	0	0	0	0	110.6	E539	E539-V541 HydrophobicContact CG-CG2 4.16Å; E539-V541 PolarHBondContact O-N 2.04Å
542	S	28.8	Very low	29.2	Very low	107 Å²	107	123.9 Å²	123.9	75%	0.748	65%	0.65	S	S	*	*			trans	-112	120.2	179.1	-176.5	0	0	0	0	112.5
543	P	34.8	Very low	29.1	Very low	115 Å²	115	129.2 Å²	129.2	75%	0.747	67%	0.665	S	S	*	*			trans	-102.3	100.1	167	33.9	-26.4	0	0	0	112
544	N	32.1	Very low	28.9	Very low	143 Å²	143	131.3 Å²	131.3	77%	0.765	68%	0.683	S	S	*	*			trans	36.1	119.3	139.3	-77.3	-29.6	0	0	0	121.8
545	V	31.2	Very low	28.8	Very low	97 Å²	97	135.3 Å²	135.3	59%	0.588	70%	0.704	S	S	*	*				96.9	127	117.2	168.2	0	0	0	0	121.1
546	Y	31.3	Very low	28.6	Very low	208 Å²	208	134.1 Å²	134.1	82%	0.816	71%	0.705	S	S	*	*			trans	68.4	140.9	164.1	-61.8	-30.3	0	0	0	119.3
547	L	27.1	Very low	28.4	Very low	123 Å²	123	139.4 Å²	139.4	64%	0.644	73%	0.728	S	S	*	*			cis	-167.8	156.3	-14.3	-169.1	65.3	0	0	0	109.8
548	Y	30.3	Very low	28.3	Very low	219 Å²	219	136.2 Å²	136.2	86%	0.859	73%	0.731	S	S	*	*			trans	64.1	118.7	168.1	-69.4	-59	0	0	0	121.4
549	G	27.8	Very low	28	Very low	81 Å²	81	137.7 Å²	137.7	84%	0.835	75%	0.751	S	S	*	*				124.6	50	112.1	0	0	0	0	0	121.3
550	A	29	Very low	27.8	Very low	99 Å²	99	141.4 Å²	141.4	82%	0.818	77%	0.772	S	S	*	*			trans	-148.1	129.1	155.1	0	0	0	0	0	111.7
551	L	26.5	Very low	27.5	Very low	149 Å²	149	140.2 Å²	140.2	78%	0.78	77%	0.766	S	S	*	*			trans	-86.7	122.7	179.7	-133	81.3	0	0	0	109.6	Y553	L551-Y553 HydrophobicContact CD2-CE2 4.26Å
552	F	26.7	Very low	27.1	Very low	195 Å²	195	145.4 Å²	145.4	86%	0.855	78%	0.776	S	S	*	*			trans	-131	137.2	158.4	-105.3	-92.3	0	0	0	110	V554	F552-V554 PolarHBondContact O-N 3.44Å
553	Y	26.2	Very low	26.9	Very low	208 Å²	208	144.5 Å²	144.5	82%	0.816	77%	0.77	S	S	*	*			trans	-80.9	112.7	-174.7	-89.1	-102	0	0	0	110.6	L551	L551-Y553 HydrophobicContact CD2-CE2 4.26Å
554	V	25.1	Very low	26.4	Very low	138 Å²	138	144.1 Å²	144.1	84%	0.836	77%	0.767	S	S	*	*			trans	-87.3	114.4	163.2	178	0	0	0	0	108.2	F552	F552-V554 PolarHBondContact O-N 3.44Å
555	L	26.8	Very low	26.2	Very low	166 Å²	166	146.1 Å²	146.1	87%	0.869	77%	0.772	S	S	*	*			trans	-93.1	105.3	167.4	-106.3	164.6	0	0	0	108.8
556	S	24.3	Very low	25.9	Very low	87 Å²	87	147.2 Å²	147.2	61%	0.608	78%	0.784	S	S	*	*			trans	-69.2	131.1	176	53.5	0	0	0	0	112
557	F	25.4	Very low	25.6	Very low	214 Å²	214	143.5 Å²	143.5	94%	0.939	78%	0.777	S	S	*	*			trans	-114.6	135.9	145.5	-103.9	-83.7	0	0	0	109.1
558	S	24.6	Very low	25.5	Very low	95 Å²	95	145.7 Å²	145.7	66%	0.664	79%	0.789	S	S	*	*			trans	-90.7	122.1	-162.8	-49.1	0	0	0	0	112.5
559	C	21.4	Very low	25.2	Very low	135 Å²	135	140.4 Å²	140.4	91%	0.912	77%	0.773	S	S	*	*			trans	-102.7	111.5	149.8	-76.1	0	0	0	0	108
560	L	23.8	Very low	25	Very low	140 Å²	140	142.8 Å²	142.8	73%	0.733	76%	0.764	S	S	*	*			trans	-87.1	122.4	171.4	-106	84.8	0	0	0	110.3
561	I	23.8	Very low	24.8	Very low	128 Å²	128	143.9 Å²	143.9	66%	0.656	75%	0.751	S	S	*	*				48.8	120.1	118.4	-51.5	176	0	0	0	115.9
562	Y	22.8	Very low	24.8	Very low	207 Å²	207	141.9 Å²	141.9	81%	0.812	74%	0.736	S	S	*	*				-149.9	129	62.9	-122.7	-93.4	0	0	0	108.5
563	S	23.6	Very low	24.7	Very low	87 Å²	87	138.5 Å²	138.5	61%	0.608	72%	0.723	S	S	*	*				72.7	138.9	56.6	175.8	0	0	0	0	113.5
564	P	25.5	Very low	24.7	Very low	108 Å²	108	132.2 Å²	132.2	70%	0.701	71%	0.709	S	S	*	*			cis	-130	-169.3	-2.1	32	-9.5	0	0	0	114.9
565	E	26.2	Very low	24.7	Very low	184 Å²	184	132.1 Å²	132.1	86%	0.86	70%	0.704	S	S	*	*			trans	84.5	136.9	169.4	-54.2	-158.7	161	0	0	118.5
566	S	25.2	Very low	24.8	Very low	120 Å²	120	130.8 Å²	130.8	84%	0.839	70%	0.698	S	S	*	*			trans	-92.5	105.2	-166.6	52	0	0	0	0	111.9
567	I	25.6	Very low	24.8	Very low	131 Å²	131	132.9 Å²	132.9	67%	0.672	70%	0.701	S	S	*	*			trans	-138.3	98.5	170.1	-53.8	-179.1	0	0	0	109.7	E569	I567-E569 HydrophobicContact CG2-CB 4.01Å; I567-E569 HydrophobicContact CG2-CG 3.72Å
568	N	24.9	Very low	24.9	Very low	168 Å²	168	126.9 Å²	126.9	90%	0.898	69%	0.686	S	S	*	*			trans	-90.6	87.4	157.8	-79.3	-9.4	0	0	0	107.5
569	E	23.7	Very low	25.2	Very low	109 Å²	109	125.9 Å²	125.9	51%	0.509	68%	0.676	S	S	.	*			trans	-99.8	126.9	165.7	-89.2	-167.7	156	0	0	109.6	I567 K571	I567-E569 HydrophobicContact CG2-CB 4.01Å; I567-E569 HydrophobicContact CG2-CG 3.72Å; E569-K571 VanDerWaalsContact OE1-CE 3.22Å; E569-K571 WeakPolarHBondContact OE1-CE 3.04Å; E569-K571 IonicContact OE1-NZ 2.8Å; E569-K571 PolarHBondContact OE1-NZ 2.88Å; E569-K571 WeakPolarHBondContact OE2-CE 3.39Å; E569-K571 IonicContact OE2-NZ 3.93Å; E569-K571 PolarHBondContact OE2-NZ 2.89Å
570	I	24.7	Very low	25.6	Very low	130 Å²	130	127.6 Å²	127.6	67%	0.667	67%	0.665	S	S	*	*			trans	-118.7	101.4	157.9	-59.9	178.8	0	0	0	106.2	F572	I570-F572 HydrophobicContact CG2-CD2 4.27Å; I570-F572 HydrophobicContact CG2-CE2 3.82Å; I570-F572 HydrophobicContact CG2-CZ 4.19Å
571	K	24	Very low	26	Very low	122 Å²	122	122.9 Å²	122.9	53%	0.53	65%	0.65	S	S	.	*			trans	-85.8	123	174.6	-77.7	173.5	171.5	138.5	0	109.7	E569	E569-K571 VanDerWaalsContact OE1-CE 3.22Å; E569-K571 WeakPolarHBondContact OE1-CE 3.04Å; E569-K571 IonicContact OE1-NZ 2.8Å; E569-K571 PolarHBondContact OE1-NZ 2.88Å; E569-K571 WeakPolarHBondContact OE2-CE 3.39Å; E569-K571 IonicContact OE2-NZ 3.93Å; E569-K571 PolarHBondContact OE2-NZ 2.89Å
572	F	26	Very low	26.4	Very low	107 Å²	107	118.4 Å²	118.4	47%	0.469	63%	0.627	S	S	.	*			trans	-96.7	107.2	167.2	-72.6	-86.1	0	0	0	109.2	I570 T579	I570-F572 HydrophobicContact CG2-CD2 4.27Å; I570-F572 HydrophobicContact CG2-CE2 3.82Å; I570-F572 HydrophobicContact CG2-CZ 4.19Å; F572-T579 HydrophobicContact CD1-CG2 4.15Å
573	H	24.5	Very low	27.2	Very low	125 Å²	125	112.6 Å²	112.6	58%	0.579	61%	0.606	S	S	*	*			trans	-106	117.1	162	-69	-83	0	0	0	108.6	E531	E531-H573 IonicContact OE1-CE1 3.72Å; E531-H573 PolarHBondContact OE1-CE1 2.95Å; E531-H573 IonicContact OE1-ND1 3.72Å; E531-H573 PolarHBondContact OE1-ND1 2.62Å
574	S	27	Very low	27.7	Very low	75 Å²	75	110.1 Å²	110.1	52%	0.524	59%	0.587	S	S	.	*			trans	-157.8	102.9	166.9	179.4	0	0	0	0	109.2	D576	S574-D576 PolarHBondContact O-N 3.35Å
575	N	24.5	Very low	28.7	Very low	137 Å²	137	107.1 Å²	107.1	73%	0.733	57%	0.565	S	S	*	*	S	Bend	trans	-74.1	67.4	168.1	-75.1	-25.3	0	0	0	110
576	D	28.6	Very low	29.3	Very low	138 Å²	138	100.9 Å²	100.9	74%	0.738	54%	0.54	S	S	*	.	S	Bend	trans	-174.2	134.2	156.5	-95.8	-30.1	0	0	0	108.7	S574 S578	S574-D576 PolarHBondContact O-N 3.35Å; D576-S578 PolarHBondContact O-N 2.59Å
577	L	25.5	Very low	30.1	Very low	131 Å²	131	96.2 Å²	96.2	69%	0.686	51%	0.506	S	S	*	.	S	Bend	trans	-73.7	85.2	-164.7	-123.5	81.7	0	0	0	113.6	I520	I520-L577 VanDerWaalsContact O-CD2 3.3Å; I520-L577 WeakPolarHBondContact O-CD2 3.41Å
578	S	27.4	Very low	30.8	Very low	87 Å²	87	95.4 Å²	95.4	61%	0.608	50%	0.503	S	S	*	.			trans	-172.1	62.8	156.9	44.1	0	0	0	0	113.8	D576 Y580	D576-S578 PolarHBondContact O-N 2.59Å; S578-Y580 PolarHBondContact O-N 3.26Å
579	T	30.1	Very low	31.2	Very low	75 Å²	75	96.5 Å²	96.5	46%	0.46	50%	0.5	S	S	.	.			trans	-72.1	94.9	174.5	33.8	0	0	0	0	112.1	F572	F572-T579 HydrophobicContact CD1-CG2 4.15Å
580	Y	30.3	Very low	31.4	Very low	171 Å²	171	102.1 Å²	102.1	67%	0.671	52%	0.518	S	S	*	.			trans	-74.4	119.4	166.2	-79.8	-88.7	0	0	0	110.5	S578	S578-Y580 PolarHBondContact O-N 3.26Å
581	G	31.7	Very low	31.5	Very low	41 Å²	41	99.6 Å²	99.6	42%	0.423	51%	0.509	S	S	.	.			trans	-159.7	92.4	176.5	0	0	0	0	0	110.9	F583	G581-F583 PolarHBondContact O-N 2.9Å
582	N	32.1	Very low	31.6	Very low	34 Å²	34	97.2 Å²	97.2	18%	0.182	51%	0.507	C	S	.	.			trans	-71.9	119.3	179.5	-65.2	-15	0	0	0	110.2	I515 E516 W643	I515-N582 WeakPolarHBondContact O-CA 3.44Å; I515-N582 PolarHBondContact O-OD1 3.49Å; E516-N582 PolarHBondContact O-OD1 3.25Å; N582-W643 PolarHBondContact ND2-NE1 2.97Å; N582-W643 VanDerWaalsContact ND2-NE1 3.16Å
583	F	39.4	Very low	31.6	Very low	84 Å²	84	94 Å²	94	37%	0.368	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.8	172.4	-171.3	-116.7	0	0	0	109.6	S514 I515 G581 I585	S514-F583 WeakPolarHBondContact CA-O 3.22Å; I515-F583 PolarHBondContact N-O 3.26Å; G581-F583 PolarHBondContact O-N 2.9Å; F583-I585 HydrophobicContact CD1-CD1 3.96Å; F583-I585 HydrophobicContact CD1-CG1 3.56Å; F583-I585 HydrophobicContact CE1-CD1 3.97Å; F583-I585 HydrophobicContact CE1-CG1 3.48Å; F583-I585 VanDerWaalsContact CE1-CG1 3.48Å
584	T	34.3	Very low	31.7	Very low	35 Å²	35	90.3 Å²	90.3	22%	0.215	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.5	-178	-52.1	0	0	0	0	110.3	Y512 I513 I638 C641	Y512-T584 HydrophobicContact CD1-CG2 4.3Å; I513-T584 CarbonylContact O-C 3.48Å; I513-T584 WeakPolarHBondContact O-CA 3.49Å; T584-I638 HydrophobicContact CG2-CG1 4.3Å; T584-C641 HydrophobicContact CG2-CB 3.86Å
585	I	46.6	Very low	31.6	Very low	45 Å²	45	90.3 Å²	90.3	23%	0.231	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.9	-178	-55.9	174.8	0	0	0	109.9	Y512 I513 F583	Y512-I585 WeakPolarHBondContact CA-O 3.06Å; I513-I585 HydrophobicContact CG2-CB 3.91Å; I513-I585 PolarHBondContact N-O 3.48Å; I513-I585 PolarHBondContact O-N 2.69Å; F583-I585 HydrophobicContact CD1-CD1 3.96Å; F583-I585 HydrophobicContact CD1-CG1 3.56Å; F583-I585 HydrophobicContact CE1-CD1 3.97Å; F583-I585 HydrophobicContact CE1-CG1 3.48Å; F583-I585 VanDerWaalsContact CE1-CG1 3.48Å
586	P	40.1	Very low	31.6	Very low	53 Å²	53	90.3 Å²	90.3	34%	0.344	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	130.8	171.2	31.1	-32.8	0	0	0	111.5	Y512 N588	Y512-P586 HydrophobicContact CD1-CB 4.4Å; Y512-P586 HydrophobicContact CE1-CB 4.26Å; P586-N588 PolarHBondContact O-N 3.07Å
587	L	40.9	Very low	31.4	Very low	22 Å²	22	93.5 Å²	93.5	12%	0.115	49%	0.489	C	S	.	.			trans	-93.5	31.3	-172.9	-65.3	171.4	0	0	0	114.4	Y503 F505 Y510 T511 I513 V634	Y503-L587 HydrophobicContact CD1-CD1 4.22Å; Y503-L587 HydrophobicContact CD1-CD2 4.24Å; Y503-L587 HydrophobicContact CE1-CD1 4.3Å; Y503-L587 HydrophobicContact CG-CD2 4.45Å; F505-L587 HydrophobicContact CD2-CB 4.28Å; F505-L587 HydrophobicContact CE2-CB 3.83Å; F505-L587 HydrophobicContact CE2-CD1 4.27Å; Y510-L587 WeakPolarHBondContact O-CD1 3.38Å; T511-L587 WeakPolarHBondContact O-CB 3.46Å; T511-L587 PolarHBondContact O-N 3.2Å; I513-L587 HydrophobicContact CB-CD1 4.24Å; I513-L587 HydrophobicContact CB-CD2 4.49Å; I513-L587 HydrophobicContact CG2-CD1 4.49Å; I513-L587 HydrophobicContact CG2-CD2 3.89Å; I513-L587 HydrophobicContact CG2-CG 4.29Å; L587-V634 HydrophobicContact CD1-CG1 4.25Å
588	N	41.2	Very low	31.4	Very low	114 Å²	114	92.2 Å²	92.2	61%	0.61	49%	0.491	S	S	*	.			trans	-105.5	114	-173.7	-87.1	-25.5	0	0	0	113.5	P586	P586-N588 PolarHBondContact O-N 3.07Å
589	K	32.9	Very low	31.2	Very low	191 Å²	191	95.6 Å²	95.6	83%	0.83	50%	0.502	S	S	*	.	S	Bend	trans	63.4	110	175.8	-67	-178.8	175.1	179.1	0	116	T591	K589-T591 PolarHBondContact O-N 3.46Å
590	Y	27.7	Very low	31.1	Very low	227 Å²	227	97.5 Å²	97.5	89%	0.89	51%	0.513	S	S	*	.			trans	33.8	63.7	159.1	-71.1	-77.9	0	0	0	116.2	S592	Y590-S592 VanDerWaalsContact C-N 3.33Å; Y590-S592 PolarHBondContact O-N 3.12Å; Y590-S592 VanDerWaalsContact O-N 3.09Å
591	T	27.6	Very low	30.9	Very low	78 Å²	78	98.9 Å²	98.9	48%	0.479	53%	0.526	S	S	.	.			trans	-81	80.8	167.6	44.2	0	0	0	0	110.3	K589	K589-T591 PolarHBondContact O-N 3.46Å
592	S	24.8	Very low	30.6	Very low	71 Å²	71	101.3 Å²	101.3	50%	0.497	54%	0.542	S	S	.	.			trans	-82.9	129	157.3	55	0	0	0	0	108.5	Y590	Y590-S592 VanDerWaalsContact C-N 3.33Å; Y590-S592 PolarHBondContact O-N 3.12Å; Y590-S592 VanDerWaalsContact O-N 3.09Å
593	V	27.5	Very low	30.4	Very low	39 Å²	39	107.3 Å²	107.3	24%	0.236	57%	0.574	C	S	.	*			trans	-113.6	117.5	177.7	178.7	0	0	0	0	109.4	H500 W537 E539	H500-V593 PolarHBondContact CE1-O 2.93Å; H500-V593 PolarHBondContact NE2-O 3.23Å; W537-V593 HydrophobicContact CB-CG1 3.94Å; W537-V593 HydrophobicContact CE3-CG1 4.11Å; W537-V593 WeakPolarHBondContact O-CG1 3.3Å; E539-V593 HydrophobicContact CB-CG2 4.4Å; E539-V593 WeakPolarHBondContact OE2-CA 3.31Å
594	S	25.4	Very low	29.8	Very low	49 Å²	49	108.1 Å²	108.1	34%	0.343	59%	0.59	S	S	.	*			trans	-153.2	137.4	-179.1	60.2	0	0	0	0	116.2	E539	E539-S594 PolarHBondContact OE2-N 3Å
595	S	26.1	Very low	29.5	Very low	74 Å²	74	111.5 Å²	111.5	52%	0.517	62%	0.616	S	S	.	*			trans	87.7	105.4	155.1	75.8	0	0	0	0	120.9
596	M	24.1	Very low	28.6	Very low	138 Å²	138	117.8 Å²	117.8	68%	0.68	64%	0.644	S	S	*	*				55.4	115.6	122.8	-66	-174.7	172.3	0	0	121	D481	D481-M596 WeakPolarHBondContact O-CE 3.48Å
597	K	24.5	Very low	27.8	Very low	205 Å²	205	123.8 Å²	123.8	89%	0.891	67%	0.672	S	S	*	*				-134.1	138.5	125.2	-109.9	-178.9	179.2	-179.3	0	109.9
598	S	25.7	Very low	27.2	Very low	104 Å²	104	130 Å²	130	73%	0.727	71%	0.705	S	S	*	*			trans	-73.9	133.1	178.9	160.3	0	0	0	0	110.8
599	L	22.3	Very low	26.5	Very low	158 Å²	158	129.5 Å²	129.5	83%	0.827	71%	0.711	S	S	*	*			trans	-86	140	151.9	-86.3	89.5	0	0	0	109
600	T	27.3	Very low	26.3	Very low	115 Å²	115	127.9 Å²	127.9	71%	0.706	71%	0.711	S	S	*	*			trans	-130.2	154.7	162	46.7	0	0	0	0	108.2
601	E	27.9	Very low	26.3	Very low	199 Å²	199	124 Å²	124	93%	0.93	71%	0.705	S	S	*	*			trans	80.7	104	175.7	-56.7	-178.1	168.1	0	0	115
602	A	24.8	Very low	26.3	Very low	93 Å²	93	129 Å²	129	77%	0.769	73%	0.725	S	S	*	*			trans	-117.4	134.9	163.8	0	0	0	0	0	107.6
603	D	28.5	Very low	26.4	Very low	159 Å²	159	129.2 Å²	129.2	85%	0.85	74%	0.739	S	S	*	*			trans	-116.7	114.2	155.5	-82.2	-42	0	0	0	106.1
604	S	25.4	Very low	26.5	Very low	102 Å²	102	135.5 Å²	135.5	71%	0.713	77%	0.77	S	S	*	*			cis	78.8	81.5	47	97.9	0	0	0	0	113.7
605	S	28	Very low	26.8	Very low	106 Å²	106	141 Å²	141	74%	0.741	80%	0.795	S	S	*	*			trans	-160.5	107.7	150.4	62.4	0	0	0	0	113.7
606	Q	27.7	Very low	27	Very low	177 Å²	177	142.1 Å²	142.1	83%	0.827	80%	0.803	S	S	*	*			trans	59.1	106.5	138.3	-61.6	175	-11.5	0	0	120
607	L	23.7	Very low	27.3	Very low	178 Å²	178	143.2 Å²	143.2	93%	0.932	81%	0.811	S	S	*	*			trans	-117.9	128.9	135.6	-146.2	87.9	0	0	0	107.8
608	N	28.1	Very low	27.6	Very low	152 Å²	152	142.1 Å²	142.1	81%	0.813	81%	0.81	S	S	*	*			trans	-72	133.4	-177.9	-83.3	-22.3	0	0	0	111.8
609	S	26.6	Very low	28	Very low	105 Å²	105	144.2 Å²	144.2	73%	0.734	81%	0.813	S	S	*	*			trans	-77.8	134.6	164.1	54.2	0	0	0	0	110.8
610	D	27.9	Very low	28.6	Very low	156 Å²	156	142.6 Å²	142.6	83%	0.834	80%	0.799	S	S	*	*			trans	-172.1	100.8	145.6	-99.3	-22.6	0	0	0	110.5
611	L	27.8	Very low	28.7	Very low	146 Å²	146	140.9 Å²	140.9	76%	0.764	79%	0.789	S	S	*	*				172.3	132.9	124	-116.5	65.1	0	0	0	112.4
612	M	28.2	Very low	29.1	Very low	182 Å²	182	133.1 Å²	133.1	90%	0.897	76%	0.755	S	S	*	*			trans	62.4	120.5	165	-51.5	-171.8	-176	0	0	116.7
613	G	26.1	Very low	29.8	Very low	76 Å²	76	133.6 Å²	133.6	78%	0.784	75%	0.748	S	S	*	*			cis	130.8	70.8	6.8	0	0	0	0	0	111.4
614	I	31.1	Very low	30.5	Very low	172 Å²	172	126.6 Å²	126.6	88%	0.882	71%	0.712	S	S	*	*			trans	-138.8	133.9	168.2	-60.9	-177.2	0	0	0	107.9
615	D	31.7	Very low	31.5	Very low	163 Å²	163	125.1 Å²	125.1	87%	0.872	69%	0.693	S	S	*	*			trans	-60.4	138	-174.6	-77.4	-60.9	0	0	0	114.4
616	S	29.7	Very low	32.5	Very low	99 Å²	99	121.9 Å²	121.9	69%	0.692	67%	0.668	S	S	*	*			trans	-82.9	112.8	169.4	55.4	0	0	0	0	110.8
617	N	30.1	Very low	33.6	Very low	160 Å²	160	116.4 Å²	116.4	86%	0.856	64%	0.642	S	S	*	*			trans	179.5	44.6	148.7	-96.1	-20.9	0	0	0	116.1
618	E	30.4	Very low	35.1	Very low	182 Å²	182	109.6 Å²	109.6	85%	0.85	61%	0.606	S	S	*	*			trans	-135.3	128.3	161.3	-71.7	-162.5	163.4	0	0	112.6	F620	E618-F620 PolarHBondContact O-N 3.26Å
619	N	34.7	Very low	36.3	Very low	149 Å²	149	105 Å²	105	80%	0.797	58%	0.582	S	S	*	*			trans	-71.9	87.9	172.3	-76.8	-15.4	0	0	0	109.5
620	F	34.3	Very low	37.9	Very low	124 Å²	124	100.3 Å²	100.3	54%	0.544	55%	0.549	S	S	.	.			trans	-85.3	142.7	173.1	75.7	-100	0	0	0	111.6	E618 V622	E618-F620 PolarHBondContact O-N 3.26Å; F620-V622 HydrophobicContact CD2-CB 4.3Å; F620-V622 HydrophobicContact CD2-CG2 3.67Å; F620-V622 HydrophobicContact CE2-CB 4.21Å; F620-V622 HydrophobicContact CE2-CG2 3.72Å
621	T	31.1	Very low	39.5	Very low	79 Å²	79	94.4 Å²	94.4	49%	0.485	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.2	162.7	53.4	0	0	0	0	109.5	I683	T621-I683 WeakPolarHBondContact CA-O 3.33Å
622	V	34.8	Very low	41.3	Very low	35 Å²	35	87.6 Å²	87.6	21%	0.212	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.8	170.2	161.7	0	0	0	0	108.6	F620 I683	F620-V622 HydrophobicContact CD2-CB 4.3Å; F620-V622 HydrophobicContact CD2-CG2 3.67Å; F620-V622 HydrophobicContact CE2-CB 4.21Å; F620-V622 HydrophobicContact CE2-CG2 3.72Å; V622-I683 PolarHBondContact N-O 3.22Å; V622-I683 PolarHBondContact O-N 3.21Å
623	T	39.8	Very low	43.2	Very low	104 Å²	104	81.3 Å²	81.3	64%	0.638	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.2	163.2	43.5	0	0	0	0	109.4	I681 K682	T623-I681 CarbonylContact C-O 3.51Å; T623-I681 VanDerWaalsContact CA-O 3.29Å; T623-I681 WeakPolarHBondContact CA-O 3.38Å; T623-K682 HydrophobicContact CG2-CB 4Å; T623-K682 HydrophobicContact CG2-CD 4.02Å; T623-K682 HydrophobicContact CG2-CG 3.74Å
624	S	43.5	Very low	45.2	Very low	11 Å²	11	77.8 Å²	77.8	8%	0.077	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144.6	170.5	53	0	0	0	0	109.9	I681	S624-I681 PolarHBondContact N-O 3.06Å; S624-I681 PolarHBondContact O-N 3.42Å
625	E	46.3	Very low	47	Very low	71 Å²	71	69.6 Å²	69.6	33%	0.332	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	95.3	178.7	-169.6	157.5	-158.8	0	0	109.2	T523 H627 L679 K680	T523-E625 WeakPolarHBondContact CB-O 3.22Å; T523-E625 WeakPolarHBondContact CG2-O 3.3Å; T523-E625 PolarHBondContact OG1-O 3.12Å; E625-H627 PolarHBondContact O-CD2 2.04Å; E625-H627 VanDerWaalsContact O-CD2 3.25Å; E625-H627 PolarHBondContact O-N 3.01Å; E625-L679 CarbonylContact C-O 3.6Å; E625-L679 WeakPolarHBondContact CA-O 3.33Å; E625-K680 HydrophobicContact CB-CG 4.34Å; E625-K680 HydrophobicContact CG-CG 3.92Å; E625-K680 WeakPolarHBondContact OE1-CE 3.22Å; E625-K680 IonicContact OE1-NZ 2.65Å; E625-K680 WeakPolarHBondContact OE2-CE 3.47Å; E625-K680 IonicContact OE2-NZ 2.67Å
626	L	48.3	Very low	48.6	Very low	39 Å²	39	64.5 Å²	64.5	20%	0.204	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	112.5	-177	-163.1	100	0	0	0	108.9	I520 I628 S678 L679 I681	I520-L626 HydrophobicContact CG2-CD1 3.67Å; I520-L626 HydrophobicContact CG2-CD2 4.01Å; I520-L626 HydrophobicContact CG2-CG 3.69Å; L626-I628 HydrophobicContact CD2-CD1 4.13Å; L626-I628 HydrophobicContact CD2-CG1 3.95Å; L626-S678 CarbonylContact O-C 3.36Å; L626-S678 WeakPolarHBondContact O-CA 3.34Å; L626-L679 HydrophobicContact CB-CB 4.5Å; L626-L679 PolarHBondContact N-O 2.78Å; L626-L679 PolarHBondContact O-N 3.17Å; L626-I681 HydrophobicContact CB-CD1 3.78Å; L626-I681 HydrophobicContact CB-CG1 4.27Å; L626-I681 HydrophobicContact CD1-CD1 4.12Å; L626-I681 HydrophobicContact CD2-CD1 4.22Å; L626-I681 HydrophobicContact CG-CD1 4.25Å
627	H	52	Low	50.3	Low	62 Å²	62	62 Å²	62	29%	0.287	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.3	173.7	-66.9	-109.7	0	0	0	110	I520 S521 E625	I520-H627 CarbonylContact C-O 3.56Å; I520-H627 WeakPolarHBondContact CA-O 3.45Å; S521-H627 PolarHBondContact N-O 2.03Å; E625-H627 PolarHBondContact O-CD2 2.04Å; E625-H627 VanDerWaalsContact O-CD2 3.25Å; E625-H627 PolarHBondContact O-N 3.01Å
628	I	54.1	Low	51.9	Low	35 Å²	35	56.5 Å²	56.5	18%	0.179	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	119.3	171.2	-53.5	174.1	0	0	0	107.5	I520 L626 K677	I520-I628 HydrophobicContact CG1-CG1 4.42Å; L626-I628 HydrophobicContact CD2-CD1 4.13Å; L626-I628 HydrophobicContact CD2-CG1 3.95Å; I628-K677 PolarHBondContact N-O 2.8Å; I628-K677 PolarHBondContact O-N 2.82Å
629	N	54.9	Low	53.3	Low	56 Å²	56	54.3 Å²	54.3	30%	0.299	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	112.6	177	-72.1	-24.5	0	0	0	108.9	C518 S519 T676	C518-N629 CarbonylContact C-O 3.56Å; C518-N629 WeakPolarHBondContact CA-O 3.28Å; S519-N629 PolarHBondContact N-O 2.96Å; S519-N629 PolarHBondContact O-N 3.07Å; N629-T676 VanDerWaalsContact OD1-CB 3.27Å; N629-T676 WeakPolarHBondContact OD1-CB 3.45Å; N629-T676 WeakPolarHBondContact OD1-CG2 3.47Å; N629-T676 PolarHBondContact OD1-OG1 2.04Å
630	C	59.4	Low	54.8	Low	5 Å²	5	52.2 Å²	52.2	3%	0.034	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137.5	175.5	-69	0	0	0	0	111.5	Q517 C518 F632 L675	Q517-C630 CarbonylContact O-C 3.59Å; Q517-C630 VanDerWaalsContact O-CA 3.29Å; Q517-C630 WeakPolarHBondContact O-CA 3.02Å; C518-C630 HydrophobicContact CB-CB 4.24Å; C518-C630 WeakPolarHBondContact CB-SG 3.42Å; C518-C630 WeakPolarHBondContact SG-CB 3.49Å; C518-C630 CovalentContact SG-SG 2.05Å; C518-C630 PolarHBondContact SG-SG 2.81Å; C630-F632 HydrophobicContact CB-CD2 4.28Å; C630-F632 HydrophobicContact CB-CE1 4.44Å; C630-F632 HydrophobicContact CB-CE2 3.44Å; C630-F632 VanDerWaalsContact CB-CE2 3.44Å; C630-F632 HydrophobicContact CB-CZ 3.54Å; C630-L675 PolarHBondContact N-O 2.91Å; C630-L675 PolarHBondContact O-N 3.46Å
631	V	62.4	Low	56.2	Low	33 Å²	33	46.3 Å²	46.3	20%	0.2	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.1	173.7	-177.9	0	0	0	0	107.7	E516 Q517 I672 T674	E516-V631 HydrophobicContact CB-CB 4.39Å; E516-V631 HydrophobicContact CB-CG1 4.19Å; E516-V631 HydrophobicContact CG-CG1 4.46Å; E516-V631 PolarHBondContact N-O 3.15Å; Q517-V631 HydrophobicContact CB-CB 4.39Å; Q517-V631 HydrophobicContact CB-CG2 4.46Å; Q517-V631 PolarHBondContact N-O 2.95Å; Q517-V631 PolarHBondContact O-N 3.08Å; V631-I672 HydrophobicContact CG1-CG2 3.77Å; V631-T674 HydrophobicContact CG2-CG2 4.25Å
632	F	64.9	Low	57.6	Low	2 Å²	2	44 Å²	44	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	143.7	177	-56.7	-87.5	0	0	0	109.8	F476 I501 I513 S514 I515 C630 I672 L673 L675	F476-F632 HydrophobicContact CE1-CE2 4.45Å; F476-F632 HydrophobicContact CE1-CZ 4.02Å; F476-F632 AromaticContact CZ-CE2 3.96Å; F476-F632 HydrophobicContact CZ-CE2 3.96Å; F476-F632 AromaticContact CZ-CZ 3.9Å; F476-F632 HydrophobicContact CZ-CZ 3.9Å; I501-F632 HydrophobicContact CD1-CE1 3.9Å; I501-F632 HydrophobicContact CD1-CZ 4.02Å; I513-F632 HydrophobicContact CD1-CB 4.03Å; I513-F632 HydrophobicContact CD1-CD1 3.73Å; I513-F632 HydrophobicContact CD1-CG 4.11Å; I513-F632 HydrophobicContact CG1-CB 4.17Å; I513-F632 HydrophobicContact CG1-CD1 4.1Å; S514-F632 CarbonylContact O-C 3.45Å; S514-F632 VanDerWaalsContact O-CA 3.31Å; S514-F632 WeakPolarHBondContact O-CA 3.5Å; I515-F632 HydrophobicContact CD1-CE1 4.17Å; I515-F632 HydrophobicContact CG1-CD1 3.94Å; I515-F632 HydrophobicContact CG1-CE1 3.87Å; I515-F632 HydrophobicContact CG2-CE1 4.5Å; C630-F632 HydrophobicContact CB-CD2 4.28Å; C630-F632 HydrophobicContact CB-CE1 4.44Å; C630-F632 HydrophobicContact CB-CE2 3.44Å; C630-F632 VanDerWaalsContact CB-CE2 3.44Å; C630-F632 HydrophobicContact CB-CZ 3.54Å; F632-I672 CarbonylContact O-C 3.59Å; F632-I672 WeakPolarHBondContact O-CA 3.07Å; F632-L673 HydrophobicContact CB-CB 4.48Å; F632-L673 PolarHBondContact N-O 3.11Å; F632-L673 PolarHBondContact O-N 3.01Å; F632-L675 HydrophobicContact CD2-CB 4.21Å; F632-L675 HydrophobicContact CE2-CB 3.92Å
633	R	68.5	Low	58.4	Low	51 Å²	51	48 Å²	48	19%	0.192	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.5	166.1	-172.2	-158.9	-53.9	-146.2	-6.6	107.8	I513 S514 E516 W640 C641 P670 I672	I513-R633 CarbonylContact C-O 3.56Å; I513-R633 WeakPolarHBondContact CA-O 3.27Å; S514-R633 PolarHBondContact N-O 2.78Å; S514-R633 PolarHBondContact O-N 2.83Å; E516-R633 VanDerWaalsContact CD-NH2 3.34Å; E516-R633 HydrophobicContact CG-CB 3.93Å; E516-R633 WeakPolarHBondContact OE1-CB 3.42Å; E516-R633 IonicContact OE1-CZ 2.73Å; E516-R633 IonicContact OE1-NE 3.91Å; E516-R633 PolarHBondContact OE1-NE 3.11Å; E516-R633 IonicContact OE1-NH2 3.57Å; E516-R633 PolarHBondContact OE1-NH2 3.01Å; E516-R633 IonicContact OE2-CZ 3.19Å; E516-R633 IonicContact OE2-NE 3.83Å; E516-R633 IonicContact OE2-NH2 2.75Å; E516-R633 PolarHBondContact OE2-NH2 3.43Å; R633-W640 WeakPolarHBondContact CD-O 2.97Å; R633-W640 PolarHBondContact NH1-O 3.33Å; R633-C641 PolarHBondContact O-SG 3.48Å; R633-P670 HydrophobicContact CG-CB 4.02Å; R633-I672 HydrophobicContact CG-CG1 4.4Å
634	V	67.8	Low	58.3	Low	2 Å²	2	49.1 Å²	49.1	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.2	-179	-155.2	0	0	0	0	109.1	Y510 Y512 I513 L587 P670 S671 L673	Y510-V634 HydrophobicContact CD1-CB 4.45Å; Y510-V634 HydrophobicContact CD1-CG1 4.32Å; Y510-V634 HydrophobicContact CG-CG1 4.11Å; Y512-V634 CarbonylContact O-C 3.55Å; Y512-V634 WeakPolarHBondContact O-CA 3.33Å; Y512-V634 WeakPolarHBondContact O-CG1 3.39Å; I513-V634 HydrophobicContact CD1-CG2 4.26Å; I513-V634 HydrophobicContact CG1-CG2 4.24Å; L587-V634 HydrophobicContact CD1-CG1 4.25Å; V634-P670 WeakPolarHBondContact O-CA 3.41Å; V634-S671 PolarHBondContact N-O 2.87Å; V634-S671 PolarHBondContact O-N 2.89Å; V634-L673 HydrophobicContact CG2-CD1 3.63Å
635	C	68.4	Low	58	Low	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144.4	-165.8	-48.1	0	0	0	0	112.3	Y510 T511 Y512 H637 W640 C641	Y510-C635 CarbonylContact C-O 3.59Å; T511-C635 PolarHBondContact N-O 2.04Å; Y512-C635 PolarHBondContact N-O 3.32Å; Y512-C635 PolarHBondContact O-N 3.11Å; C635-H637 VanDerWaalsContact C-N 3.31Å; C635-W640 HydrophobicContact CB-CB 4.03Å; C635-C641 HydrophobicContact CB-CB 3.87Å; C635-C641 WeakPolarHBondContact CB-SG 3.36Å; C635-C641 WeakPolarHBondContact SG-CA 3.44Å; C635-C641 WeakPolarHBondContact SG-CB 3.36Å; C635-C641 PolarHBondContact SG-N 3.11Å; C635-C641 CovalentContact SG-SG 2.04Å; C635-C641 PolarHBondContact SG-SG 3.13Å
636	Q	65.5	Low	57.6	Low	56 Å²	56	55.5 Å²	55.5	26%	0.262	27%	0.267	S	S	.	.	S	Bend	trans	-76.2	-17.9	170.7	-166.3	171.6	26	0	0	113.4	S509 T511 T668	S509-Q636 WeakPolarHBondContact O-CB 3.25Å; S509-Q636 WeakPolarHBondContact O-CG 3.42Å; T511-Q636 PolarHBondContact OG1-O 2.92Å; Q636-T668 PolarHBondContact OE1-OG1 3.16Å
637	H	64.8	Low	56.8	Low	47 Å²	47	59.6 Å²	59.6	22%	0.218	30%	0.298	C	S	.	.	S	Bend	trans	-149.6	137.8	-175.3	-175.8	-80.9	0	0	0	110.6	C635 R639 W640	C635-H637 VanDerWaalsContact C-N 3.31Å; H637-R639 VanDerWaalsContact C-N 3.27Å; H637-R639 PolarHBondContact ND1-N 3.36Å; H637-R639 PolarHBondContact O-N 3.47Å; H637-R639 VanDerWaalsContact O-N 3.15Å; H637-W640 PolarHBondContact O-N 3.4Å
638	I	63.6	Low	56.2	Low	43 Å²	43	61.2 Å²	61.2	22%	0.221	31%	0.309	C	S	.	.	H	α-helix	trans	-55.1	-39.1	-168.5	-166.8	166.7	0	0	0	113.2	Y512 T584 W640 C641 V642 M651	Y512-I638 HydrophobicContact CD1-CB 4.03Å; Y512-I638 HydrophobicContact CD1-CD1 4.38Å; Y512-I638 HydrophobicContact CD1-CG1 4.13Å; Y512-I638 HydrophobicContact CD2-CB 4.28Å; Y512-I638 HydrophobicContact CE1-CB 3.74Å; Y512-I638 HydrophobicContact CE1-CD1 4.01Å; Y512-I638 HydrophobicContact CE1-CG1 4.05Å; Y512-I638 HydrophobicContact CE2-CB 4.01Å; Y512-I638 VanDerWaalsContact CE2-N 3.28Å; Y512-I638 HydrophobicContact CG-CB 4.3Å; T584-I638 HydrophobicContact CG2-CG1 4.3Å; I638-W640 PolarHBondContact O-N 3.18Å; I638-C641 PolarHBondContact O-N 3.48Å; I638-V642 HydrophobicContact CD1-CG2 4.47Å; I638-V642 HydrophobicContact CG1-CG2 3.74Å; I638-V642 PolarHBondContact O-N 3.46Å; I638-M651 HydrophobicContact CD1-CE 3.82Å; I638-M651 HydrophobicContact CG1-CE 4.07Å; I638-M651 HydrophobicContact CG2-CE 4.45Å
639	R	61.1	Low	55.4	Low	137 Å²	137	62.1 Å²	62.1	52%	0.517	33%	0.327	S	S	.	.	H	α-helix	trans	-57.8	-16.8	176.8	-70.7	-176	175.9	-175	-1.8	115.2	H637 D655	H637-R639 VanDerWaalsContact C-N 3.27Å; H637-R639 PolarHBondContact ND1-N 3.36Å; H637-R639 PolarHBondContact O-N 3.47Å; H637-R639 VanDerWaalsContact O-N 3.15Å; R639-D655 IonicContact CZ-OD1 3.21Å; R639-D655 IonicContact NH2-OD1 2.77Å; R639-D655 PolarHBondContact NH2-OD1 3.4Å
640	W	64.6	Low	54.8	Low	104 Å²	104	66.6 Å²	66.6	39%	0.394	35%	0.346	S	S	.	.	H	α-helix	trans	-91.4	-19.6	173.3	-62.7	86.7	0	0	0	113.5	R633 C635 H637 I638 Y669 P670	R633-W640 WeakPolarHBondContact CD-O 2.97Å; R633-W640 PolarHBondContact NH1-O 3.33Å; C635-W640 HydrophobicContact CB-CB 4.03Å; H637-W640 PolarHBondContact O-N 3.4Å; I638-W640 PolarHBondContact O-N 3.18Å; W640-Y669 HydrophobicContact CH2-CD1 4.15Å; W640-Y669 HydrophobicContact CZ3-CD1 4.27Å; W640-P670 HydrophobicContact CB-CB 4.28Å; W640-P670 HydrophobicContact CB-CG 4.25Å; W640-P670 HydrophobicContact CD2-CG 4.35Å; W640-P670 HydrophobicContact CE3-CG 3.71Å; W640-P670 HydrophobicContact CZ3-CG 4.39Å
641	C	65	Low	53.9	Low	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-97.9	-18.1	178.5	-92.2	0	0	0	0	112.8	T584 R633 C635 I638	T584-C641 HydrophobicContact CG2-CB 3.86Å; R633-C641 PolarHBondContact O-SG 3.48Å; C635-C641 HydrophobicContact CB-CB 3.87Å; C635-C641 WeakPolarHBondContact CB-SG 3.36Å; C635-C641 WeakPolarHBondContact SG-CA 3.44Å; C635-C641 WeakPolarHBondContact SG-CB 3.36Å; C635-C641 PolarHBondContact SG-N 3.11Å; C635-C641 CovalentContact SG-SG 2.04Å; C635-C641 PolarHBondContact SG-SG 3.13Å; I638-C641 PolarHBondContact O-N 3.48Å
642	V	60	Low	52.8	Low	31 Å²	31	78 Å²	78	19%	0.188	39%	0.388	C	S	.	.	S	Bend	trans	-91.4	126.7	173.4	176.8	0	0	0	0	109.5	I638 M651	I638-V642 HydrophobicContact CD1-CG2 4.47Å; I638-V642 HydrophobicContact CG1-CG2 3.74Å; I638-V642 PolarHBondContact O-N 3.46Å; V642-M651 HydrophobicContact CG1-CE 4.44Å; V642-M651 HydrophobicContact CG2-CE 3.91Å
643	W	52.8	Low	51.8	Low	119 Å²	119	81.6 Å²	81.6	45%	0.451	41%	0.414	S	S	.	.			trans	-67.9	145.4	171.7	-92.2	57.4	0	0	0	110.9	E516 N582 S645 Y646	E516-W643 PolarHBondContact OE2-NE1 3.43Å; N582-W643 PolarHBondContact ND2-NE1 2.97Å; N582-W643 VanDerWaalsContact ND2-NE1 3.16Å; W643-S645 PolarHBondContact O-N 3.47Å; W643-Y646 PolarHBondContact O-N 3.5Å
644	P	36.8	Very low	50.7	Low	128 Å²	128	83.9 Å²	83.9	83%	0.831	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-23.4	178.8	-26.6	35	0	0	0	114.9	Y646	P644-Y646 VanDerWaalsContact C-N 3.32Å; P644-Y646 PolarHBondContact O-N 2.03Å
645	S	36.5	Very low	49.6	Very low	90 Å²	90	88.9 Å²	88.9	63%	0.629	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-9.9	178.2	49.7	0	0	0	0	114.8	W643 C647	W643-S645 PolarHBondContact O-N 3.47Å; S645-C647 VanDerWaalsContact C-N 3.29Å; S645-C647 PolarHBondContact O-N 2.88Å
646	Y	38.1	Very low	48.6	Very low	125 Å²	125	96.9 Å²	96.9	49%	0.49	49%	0.493	S	S	.	.			trans	-85.4	62.7	-174.2	-141.6	-87.8	0	0	0	113.2	W643 P644 N648	W643-Y646 PolarHBondContact O-N 3.5Å; P644-Y646 VanDerWaalsContact C-N 3.32Å; P644-Y646 PolarHBondContact O-N 2.03Å; Y646-N648 HydrophobicContact CD1-CB 4.05Å; Y646-N648 HydrophobicContact CE1-CB 3.99Å; Y646-N648 PolarHBondContact O-N 3.28Å
647	C	32.8	Very low	47.5	Very low	126 Å²	126	101.2 Å²	101.2	85%	0.851	52%	0.518	S	S	*	.			trans	-75	60.6	174.6	-77.3	0	0	0	0	112.7	S645	S645-C647 VanDerWaalsContact C-N 3.29Å; S645-C647 PolarHBondContact O-N 2.88Å
648	N	37.6	Very low	46.4	Very low	95 Å²	95	104.1 Å²	104.1	51%	0.508	53%	0.534	S	S	.	.			trans	-84.8	137.6	168.3	-158.9	-10.5	0	0	0	110.3	Y646 H650 M651	Y646-N648 HydrophobicContact CD1-CB 4.05Å; Y646-N648 HydrophobicContact CE1-CB 3.99Å; Y646-N648 PolarHBondContact O-N 3.28Å; N648-H650 PolarHBondContact O-N 2.91Å; N648-M651 PolarHBondContact O-N 3.34Å; N648-M651 VanDerWaalsContact O-N 3.07Å
649	G	37.6	Very low	45.3	Very low	54 Å²	54	109.4 Å²	109.4	56%	0.557	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-25.1	-168.7	0	0	0	0	0	114.9	M651 R652	G649-M651 PolarHBondContact O-N 2.8Å; G649-R652 PolarHBondContact O-N 2.99Å
650	H	43	Very low	44.3	Very low	150 Å²	150	111.5 Å²	111.5	69%	0.694	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-29.3	175.1	-97.8	-67.3	0	0	0	114.7	N648 R652 S653	N648-H650 PolarHBondContact O-N 2.91Å; H650-R652 VanDerWaalsContact C-N 3.27Å; H650-R652 PolarHBondContact O-N 3.29Å; H650-S653 PolarHBondContact O-N 3.21Å; H650-S653 PolarHBondContact O-OG 2.83Å
651	M	39.4	Very low	43.1	Very low	65 Å²	65	109.9 Å²	109.9	32%	0.32	58%	0.578	S	S	.	*	H	α-helix	trans	-66.3	-27.7	178.6	-86.3	-79.5	172.4	0	0	112.9	I638 V642 N648 G649 S653 L654 D655	I638-M651 HydrophobicContact CD1-CE 3.82Å; I638-M651 HydrophobicContact CG1-CE 4.07Å; I638-M651 HydrophobicContact CG2-CE 4.45Å; V642-M651 HydrophobicContact CG1-CE 4.44Å; V642-M651 HydrophobicContact CG2-CE 3.91Å; N648-M651 PolarHBondContact O-N 3.34Å; N648-M651 VanDerWaalsContact O-N 3.07Å; G649-M651 PolarHBondContact O-N 2.8Å; M651-S653 PolarHBondContact O-N 2.82Å; M651-L654 PolarHBondContact O-N 2.86Å; M651-L654 VanDerWaalsContact O-N 3.12Å; M651-D655 PolarHBondContact O-N 3.47Å
652	R	39.8	Very low	42	Very low	212 Å²	212	115.1 Å²	115.1	80%	0.8	61%	0.606	S	S	*	*	H	α-helix	trans	-66.3	-20.7	178.9	-74.3	-172.7	177.4	172.9	1.8	113.7	G649 H650	G649-R652 PolarHBondContact O-N 2.99Å; H650-R652 VanDerWaalsContact C-N 3.27Å; H650-R652 PolarHBondContact O-N 3.29Å
653	S	43.7	Very low	41.1	Very low	79 Å²	79	117.4 Å²	117.4	55%	0.552	62%	0.617	S	S	*	*	H	α-helix	trans	-80.4	-21.6	174.4	63.5	0	0	0	0	113.4	H650 M651	H650-S653 PolarHBondContact O-N 3.21Å; H650-S653 PolarHBondContact O-OG 2.83Å; M651-S653 PolarHBondContact O-N 2.82Å
654	L	45.1	Very low	40.6	Very low	99 Å²	99	115.9 Å²	115.9	52%	0.518	62%	0.624	S	S	.	*	H	α-helix	trans	-85.3	-21.5	180	-89.6	143.2	0	0	0	113.5	M651 H656	M651-L654 PolarHBondContact O-N 2.86Å; M651-L654 VanDerWaalsContact O-N 3.12Å; L654-H656 PolarHBondContact O-N 3.38Å
655	D	46.3	Very low	40.7	Very low	107 Å²	107	119.4 Å²	119.4	57%	0.572	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-5.4	-179.3	-107	6.2	0	0	0	114.2	R639 M651	R639-D655 IonicContact CZ-OD1 3.21Å; R639-D655 IonicContact NH2-OD1 2.77Å; R639-D655 PolarHBondContact NH2-OD1 3.4Å; M651-D655 PolarHBondContact O-N 3.47Å
656	H	46.3	Very low	40.8	Very low	167 Å²	167	118 Å²	118	77%	0.773	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-18.9	-175.4	-91.7	-53.1	0	0	0	116.1	L654	L654-H656 PolarHBondContact O-N 3.38Å
657	D	41.9	Very low	41	Very low	147 Å²	147	121.3 Å²	121.3	79%	0.786	62%	0.624	S	S	*	*	S	Bend	trans	-112.8	2.3	-170.4	-79.3	-27.3	0	0	0	115.6
658	L	41.7	Very low	41.7	Very low	109 Å²	109	117.8 Å²	117.8	57%	0.571	60%	0.599	S	S	*	*			trans	-113.8	113.4	-177.3	-92.1	145.7	0	0	0	112.9	Q660	L658-Q660 PolarHBondContact O-N 2.76Å
659	H	40.8	Very low	42.2	Very low	153 Å²	153	122 Å²	122	71%	0.708	61%	0.609	S	S	*	*			trans	-61.1	129.6	171.3	-88.8	-66.4	0	0	0	110.9	S661 D662	H659-S661 PolarHBondContact O-N 3.48Å; H659-D662 PolarHBondContact O-N 2.84Å; H659-D662 VanDerWaalsContact O-N 3.13Å
660	Q	40.6	Very low	43	Very low	181 Å²	181	121.1 Å²	121.1	85%	0.846	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-6.9	-176.8	-141.3	168.2	10	0	0	114.5	L658	L658-Q660 PolarHBondContact O-N 2.76Å
661	S	39.6	Very low	43.7	Very low	70 Å²	70	116.1 Å²	116.1	49%	0.49	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.1	-35.5	173.4	45.2	0	0	0	0	113.8	H659 L663 S664	H659-S661 PolarHBondContact O-N 3.48Å; S661-L663 VanDerWaalsContact C-N 3.3Å; S661-L663 PolarHBondContact O-N 3.03Å; S661-S664 PolarHBondContact O-N 2.65Å; S661-S664 PolarHBondContact O-OG 2.73Å
662	D	41.3	Very low	44.6	Very low	110 Å²	110	118.7 Å²	118.7	59%	0.588	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-82	-14.1	-158.7	-62	-0.4	0	0	0	112.8	H659 S664	H659-D662 PolarHBondContact O-N 2.84Å; H659-D662 VanDerWaalsContact O-N 3.13Å; D662-S664 PolarHBondContact O-N 2.75Å
663	L	42.2	Very low	45.5	Very low	80 Å²	80	109.5 Å²	109.5	42%	0.419	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-74.8	-4.2	176.4	-80.9	157.4	0	0	0	114.4	S661	S661-L663 VanDerWaalsContact C-N 3.3Å; S661-L663 PolarHBondContact O-N 3.03Å
664	S	40.7	Very low	45.7	Very low	86 Å²	86	110.1 Å²	110.1	60%	0.601	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-93	2.1	-169.1	57.4	0	0	0	0	116.5	S661 D662	S661-S664 PolarHBondContact O-N 2.65Å; S661-S664 PolarHBondContact O-OG 2.73Å; D662-S664 PolarHBondContact O-N 2.75Å
665	W	38.9	Very low	46.1	Very low	203 Å²	203	106.9 Å²	106.9	77%	0.769	54%	0.539	S	S	*	.			trans	-132.3	0.4	-168.6	-68.1	69.6	0	0	0	117.6	Y667	W665-Y667 VanDerWaalsContact O-CD2 3.24Å; W665-Y667 WeakPolarHBondContact O-CD2 3.47Å
666	S	38.8	Very low	46.3	Very low	61 Å²	61	105.7 Å²	105.7	43%	0.427	54%	0.536	S	S	.	.			trans	-91.2	105.8	178.5	64.6	0	0	0	0	112.7	T668	S666-T668 PolarHBondContact O-N 3.09Å; S666-T668 VanDerWaalsContact O-N 3.15Å
667	Y	42	Very low	46.8	Very low	193 Å²	193	102.5 Å²	102.5	76%	0.757	52%	0.52	S	S	*	.			trans	-80.2	21.7	-164.1	-83.6	-84.9	0	0	0	117.7	W665	W665-Y667 VanDerWaalsContact O-CD2 3.24Å; W665-Y667 WeakPolarHBondContact O-CD2 3.47Å
668	T	47.6	Very low	46.8	Very low	53 Å²	53	98.2 Å²	98.2	33%	0.325	50%	0.502	S	S	.	.			trans	-124.2	114.8	-175.4	11.4	0	0	0	0	113.8	Q636 S666	Q636-T668 PolarHBondContact OE1-OG1 3.16Å; S666-T668 PolarHBondContact O-N 3.09Å; S666-T668 VanDerWaalsContact O-N 3.15Å
669	Y	49.6	Very low	47	Very low	183 Å²	183	95.2 Å²	95.2	72%	0.718	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-63.2	153.7	171.4	-63.7	-81.8	0	0	0	111.5	W640	W640-Y669 HydrophobicContact CH2-CD1 4.15Å; W640-Y669 HydrophobicContact CZ3-CD1 4.27Å
670	P	54.1	Low	47.2	Very low	36 Å²	36	95.1 Å²	95.1	23%	0.234	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-62.6	137.9	172.3	27.8	-35.7	0	0	0	110.6	R633 V634 W640	R633-P670 HydrophobicContact CG-CB 4.02Å; V634-P670 WeakPolarHBondContact O-CA 3.41Å; W640-P670 HydrophobicContact CB-CB 4.28Å; W640-P670 HydrophobicContact CB-CG 4.25Å; W640-P670 HydrophobicContact CD2-CG 4.35Å; W640-P670 HydrophobicContact CE3-CG 3.71Å; W640-P670 HydrophobicContact CZ3-CG 4.39Å
671	S	57.9	Low	47.2	Very low	44 Å²	44	87.9 Å²	87.9	31%	0.308	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.8	173.7	-71.5	0	0	0	0	109.8	Y510 V634	Y510-S671 PolarHBondContact OH-OG 2.83Å; V634-S671 PolarHBondContact N-O 2.87Å; V634-S671 PolarHBondContact O-N 2.89Å
672	I	58.4	Low	47.2	Very low	119 Å²	119	88.2 Å²	88.2	61%	0.61	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.4	170.6	-59.2	175	0	0	0	107.9	V631 F632 R633	V631-I672 HydrophobicContact CG1-CG2 3.77Å; F632-I672 CarbonylContact O-C 3.59Å; F632-I672 WeakPolarHBondContact O-CA 3.07Å; R633-I672 HydrophobicContact CG-CG1 4.4Å
673	L	57.5	Low	47	Very low	20 Å²	20	85.9 Å²	85.9	11%	0.105	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	111.4	-178.3	-87.7	152.2	0	0	0	108.8	L470 H471 F632 V634	L470-L673 HydrophobicContact CD2-CD1 4.06Å; H471-L673 WeakPolarHBondContact NE2-CD2 3.49Å; F632-L673 HydrophobicContact CB-CB 4.48Å; F632-L673 PolarHBondContact N-O 3.11Å; F632-L673 PolarHBondContact O-N 3.01Å; V634-L673 HydrophobicContact CG2-CD1 3.63Å
674	T	48.6	Very low	46.8	Very low	91 Å²	91	83.9 Å²	83.9	56%	0.558	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	128.4	172.8	-52.9	0	0	0	0	109.1	V631	V631-T674 HydrophobicContact CG2-CG2 4.25Å
675	L	53.8	Low	46.5	Very low	31 Å²	31	84.7 Å²	84.7	16%	0.162	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	118.2	-174.6	-133.5	151.2	0	0	0	110.1	L474 F476 C630 F632	L474-L675 HydrophobicContact CB-CD1 4.38Å; L474-L675 HydrophobicContact CD1-CD1 3.75Å; F476-L675 HydrophobicContact CD2-CD2 4.23Å; F476-L675 HydrophobicContact CE2-CD1 3.59Å; F476-L675 HydrophobicContact CE2-CD2 3.67Å; F476-L675 HydrophobicContact CE2-CG 4.21Å; F476-L675 HydrophobicContact CZ-CD1 3.95Å; F476-L675 HydrophobicContact CZ-CD2 4.2Å; C630-L675 PolarHBondContact N-O 2.91Å; C630-L675 PolarHBondContact O-N 3.46Å; F632-L675 HydrophobicContact CD2-CB 4.21Å; F632-L675 HydrophobicContact CE2-CB 3.92Å
676	T	49.3	Very low	46.1	Very low	83 Å²	83	79 Å²	79	51%	0.509	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.8	178.9	-68	0	0	0	0	109	N629	N629-T676 VanDerWaalsContact OD1-CB 3.27Å; N629-T676 WeakPolarHBondContact OD1-CB 3.45Å; N629-T676 WeakPolarHBondContact OD1-CG2 3.47Å; N629-T676 PolarHBondContact OD1-OG1 2.04Å
677	K	56.9	Low	45.6	Very low	99 Å²	99	82.7 Å²	82.7	43%	0.43	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	125.3	172.2	-166.2	160.7	-175.6	164.1	0	110.1	F476 I628	F476-K677 HydrophobicContact CB-CD 3.96Å; F476-K677 PolarHBondContact O-NZ 2.9Å; I628-K677 PolarHBondContact N-O 2.8Å; I628-K677 PolarHBondContact O-N 2.82Å
678	S	43.2	Very low	45.1	Very low	58 Å²	58	78.3 Å²	78.3	41%	0.406	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	143.3	174	56.9	0	0	0	0	111.4	L626	L626-S678 CarbonylContact O-C 3.36Å; L626-S678 WeakPolarHBondContact O-CA 3.34Å
679	L	45.6	Very low	44.4	Very low	46 Å²	46	83.6 Å²	83.6	24%	0.241	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.1	179.1	-167.8	87.7	0	0	0	109.8	M478 I491 E625 L626 I681	M478-L679 HydrophobicContact CE-CD1 3.88Å; M478-L679 HydrophobicContact CE-CD2 3.38Å; M478-L679 HydrophobicContact CE-CG 4.28Å; M478-L679 HydrophobicContact SD-CD1 3.72Å; M478-L679 HydrophobicContact SD-CD2 3.64Å; M478-L679 HydrophobicContact SD-CG 4.27Å; I491-L679 HydrophobicContact CD1-CD2 4.24Å; E625-L679 CarbonylContact C-O 3.6Å; E625-L679 WeakPolarHBondContact CA-O 3.33Å; L626-L679 HydrophobicContact CB-CB 4.5Å; L626-L679 PolarHBondContact N-O 2.78Å; L626-L679 PolarHBondContact O-N 3.17Å; L679-I681 HydrophobicContact CD2-CD1 4.22Å; L679-I681 HydrophobicContact CD2-CG1 3.76Å; L679-I681 HydrophobicContact CG-CG1 4.42Å; L679-I681 PolarHBondContact O-N 3.49Å
680	K	43.6	Very low	43.2	Very low	151 Å²	151	80.2 Å²	80.2	66%	0.657	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	99.9	174.5	-69	-175.8	178.6	-177.1	0	109.8	E625	E625-K680 HydrophobicContact CB-CG 4.34Å; E625-K680 HydrophobicContact CG-CG 3.92Å; E625-K680 WeakPolarHBondContact OE1-CE 3.22Å; E625-K680 IonicContact OE1-NZ 2.65Å; E625-K680 WeakPolarHBondContact OE2-CE 3.47Å; E625-K680 IonicContact OE2-NZ 2.67Å
681	I	41.5	Very low	42.2	Very low	28 Å²	28	84.7 Å²	84.7	14%	0.144	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	132.5	174	-53.4	178.3	0	0	0	107.9	I491 T623 S624 L626 L679 I683	I491-I681 HydrophobicContact CD1-CG1 4.3Å; I491-I681 HydrophobicContact CD1-CG2 4.33Å; T623-I681 CarbonylContact C-O 3.51Å; T623-I681 VanDerWaalsContact CA-O 3.29Å; T623-I681 WeakPolarHBondContact CA-O 3.38Å; S624-I681 PolarHBondContact N-O 3.06Å; S624-I681 PolarHBondContact O-N 3.42Å; L626-I681 HydrophobicContact CB-CD1 3.78Å; L626-I681 HydrophobicContact CB-CG1 4.27Å; L626-I681 HydrophobicContact CD1-CD1 4.12Å; L626-I681 HydrophobicContact CD2-CD1 4.22Å; L626-I681 HydrophobicContact CG-CD1 4.25Å; L679-I681 HydrophobicContact CD2-CD1 4.22Å; L679-I681 HydrophobicContact CD2-CG1 3.76Å; L679-I681 HydrophobicContact CG-CG1 4.42Å; L679-I681 PolarHBondContact O-N 3.49Å; I681-I683 HydrophobicContact CG2-CD1 4.5Å; I681-I683 HydrophobicContact CG2-CG1 3.77Å
682	K	39.1	Very low	40.9	Very low	78 Å²	78	87.7 Å²	87.7	34%	0.339	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	105.3	169	-169.9	170.9	-174.6	-176.8	0	107.8	T623	T623-K682 HydrophobicContact CG2-CB 4Å; T623-K682 HydrophobicContact CG2-CD 4.02Å; T623-K682 HydrophobicContact CG2-CG 3.74Å
683	I	38.2	Very low	39.5	Very low	60 Å²	60	88.7 Å²	88.7	31%	0.308	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.1	177.8	-52.9	178.4	0	0	0	107.3	T527 T621 V622 I681	T527-I683 HydrophobicContact CG2-CD1 4.45Å; T621-I683 WeakPolarHBondContact CA-O 3.33Å; V622-I683 PolarHBondContact N-O 3.22Å; V622-I683 PolarHBondContact O-N 3.21Å; I681-I683 HydrophobicContact CG2-CD1 4.5Å; I681-I683 HydrophobicContact CG2-CG1 3.77Å
684	S	36.7	Very low	38.3	Very low	39 Å²	39	97.6 Å²	97.6	27%	0.273	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	115.6	170.8	54.5	0	0	0	0	108.5	S686	S684-S686 PolarHBondContact O-N 3.4Å
685	N	34.4	Very low	37.6	Very low	102 Å²	102	99.2 Å²	99.2	55%	0.545	56%	0.557	S	S	.	*			trans	-78.9	120.3	170.6	-166.4	8.8	0	0	0	108.8
686	S	31.2	Very low	36.6	Very low	85 Å²	85	103.3 Å²	103.3	59%	0.594	59%	0.587	S	S	*	*			trans	-119.3	102.2	177.2	62.7	0	0	0	0	110.1	S684 S688	S684-S686 PolarHBondContact O-N 3.4Å; S686-S688 PolarHBondContact O-N 2.91Å
687	N	28.4	Very low	36.1	Very low	137 Å²	137	104.3 Å²	104.3	73%	0.733	60%	0.595	S	S	*	*			trans	-69.5	91.1	170.9	-74.4	-14.7	0	0	0	109.8
688	S	32.2	Very low	35	Very low	102 Å²	102	109.3 Å²	109.3	71%	0.713	62%	0.62	S	S	*	*			trans	-119.5	107.1	172.2	59.8	0	0	0	0	111.9	S686	S686-S688 PolarHBondContact O-N 2.91Å
689	I	31.3	Very low	34.1	Very low	164 Å²	164	111.6 Å²	111.6	84%	0.841	64%	0.636	S	S	*	*			trans	-36.9	135.7	172.9	-62.2	154.1	0	0	0	113.6
690	S	25.7	Very low	33.4	Very low	111 Å²	111	115.7 Å²	115.7	78%	0.776	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-80.3	136.7	173.7	41.8	0	0	0	0	113.1
691	P	32.5	Very low	32.7	Very low	131 Å²	131	112.5 Å²	112.5	85%	0.851	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-103.8	155.5	162.9	3.9	17.4	0	0	0	112.8
692	S	30.4	Very low	32	Very low	106 Å²	106	120.1 Å²	120.1	74%	0.741	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-96.3	142.3	-168.7	56.3	0	0	0	0	115.7
693	L	29.7	Very low	31.4	Very low	141 Å²	141	126.3 Å²	126.3	74%	0.738	73%	0.726	S	S	*	*			trans	42.4	145.4	135.9	-84.5	132.8	0	0	0	123.6
694	Y	31.8	Very low	30.9	Very low	207 Å²	207	130 Å²	130	81%	0.812	75%	0.747	S	S	*	*			trans	75.4	109.3	161.5	-66.4	-68.8	0	0	0	120.5
695	S	33.5	Very low	30.6	Very low	125 Å²	125	135.2 Å²	135.2	87%	0.874	77%	0.772	S	S	*	*				-179.8	164.1	99	39.8	0	0	0	0	111.9
696	S	32.9	Very low	30.5	Very low	116 Å²	116	138.8 Å²	138.8	81%	0.811	78%	0.783	S	S	*	*			trans	-116.4	-158	-159.8	55.5	0	0	0	0	113.2
697	P	38.3	Very low	30.3	Very low	104 Å²	104	140 Å²	140	68%	0.675	79%	0.791	S	S	*	*				-129	165.7	-74.9	36.1	-20.5	0	0	0	113.8
698	H	34.3	Very low	30.4	Very low	204 Å²	204	140.8 Å²	140.8	94%	0.944	79%	0.793	S	S	*	*			trans	-149	125.5	151.5	-89.1	-54.7	0	0	0	111.5
699	S	25	Very low	30.2	Very low	107 Å²	107	143.2 Å²	143.2	75%	0.748	80%	0.799	S	S	*	*			trans	-125.7	158.3	170.7	72.3	0	0	0	0	110.9
700	P	30.3	Very low	30.2	Very low	131 Å²	131	140.6 Å²	140.6	85%	0.851	80%	0.795	S	S	*	*			trans	-113.4	143.1	151.3	32	-21.4	0	0	0	110.9
701	A	30.3	Very low	30.3	Very low	85 Å²	85	142.8 Å²	142.8	70%	0.702	80%	0.796	S	S	*	*			trans	-100.3	156.1	-167.2	0	0	0	0	0	114.7
702	F	25.7	Very low	30	Very low	188 Å²	188	141.8 Å²	141.8	83%	0.825	79%	0.791	S	S	*	*			trans	27.2	130.7	145.7	-80.8	-91.6	0	0	0	121
703	K	27	Very low	30	Very low	207 Å²	207	145 Å²	145	90%	0.9	79%	0.794	S	S	*	*			trans	-128.3	106.6	143.8	-108.4	-179.3	179.6	175.2	0	111.5
704	N	28.3	Very low	30.2	Very low	139 Å²	139	143 Å²	143	74%	0.743	79%	0.79	S	S	*	*			trans	-83.4	135.5	165.7	-112.8	-21.5	0	0	0	109.5
705	N	29.6	Very low	30.4	Very low	148 Å²	148	140 Å²	140	79%	0.791	79%	0.788	S	S	*	*			trans	-151.3	99.3	160.7	-96	-21.9	0	0	0	107.7
706	K	32.1	Very low	30.6	Very low	177 Å²	177	140.5 Å²	140.5	77%	0.77	78%	0.781	S	S	*	*				57.8	92.8	92.5	-84.1	-171.4	172.1	180	0	114.9
707	S	26.9	Very low	31.1	Very low	109 Å²	109	141 Å²	141	76%	0.762	78%	0.775	S	S	*	*			trans	22.2	114	131.2	60.2	0	0	0	0	118
708	I	31.4	Very low	31.3	Very low	154 Å²	154	142.3 Å²	142.3	79%	0.79	77%	0.774	S	S	*	*			trans	-121.5	116.4	157.7	-65.1	177.7	0	0	0	107.8
709	N	27.7	Very low	31.6	Very low	154 Å²	154	141.5 Å²	141.5	82%	0.824	77%	0.768	S	S	*	*			trans	-76.4	128.9	164	-71.7	-24.4	0	0	0	108.3
710	S	31.2	Very low	32.7	Very low	109 Å²	109	142.7 Å²	142.7	76%	0.762	77%	0.765	S	S	*	*			trans	-130.1	94.7	162.1	60.5	0	0	0	0	110
711	I	27.1	Very low	33.6	Very low	156 Å²	156	145 Å²	145	80%	0.8	76%	0.762	S	S	*	*			trans	-68.5	169	159.4	-67.7	160.2	0	0	0	108.2
712	C	27.2	Very low	34.6	Very low	110 Å²	110	148.3 Å²	148.3	74%	0.743	76%	0.76	S	S	*	*			trans	91.2	129.2	-176.6	-56.8	0	0	0	0	112.9
713	E	29.7	Very low	36.3	Very low	173 Å²	173	142 Å²	142	81%	0.808	74%	0.74	S	S	*	*			cis	-147.8	151.4	7.6	-113.1	164.6	-179.3	0	0	110.3	N715	E713-N715 PolarHBondContact O-N 3.37Å
714	P	33.6	Very low	38.3	Very low	100 Å²	100	136.1 Å²	136.1	65%	0.649	72%	0.721	S	S	*	*			trans	-76.6	117.4	178.1	31	-32.2	0	0	0	110.5	N716	P714-N716 PolarHBondContact O-N 3.23Å
715	N	35.8	Very low	40.5	Very low	143 Å²	143	135.1 Å²	135.1	77%	0.765	72%	0.716	S	S	*	*			trans	-77.5	72.8	179.9	-132.2	-21.2	0	0	0	111.4	E713 N717	E713-N715 PolarHBondContact O-N 3.37Å; N715-N717 VanDerWaalsContact C-N 3.25Å; N715-N717 PolarHBondContact O-N 3.2Å
716	N	38.2	Very low	42.7	Very low	137 Å²	137	134.2 Å²	134.2	73%	0.733	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	70	179.2	-80.4	-20.4	0	0	0	112.3	P714	P714-N716 PolarHBondContact O-N 3.23Å
717	N	43	Very low	44.9	Very low	127 Å²	127	130 Å²	130	68%	0.679	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.8	-2.5	171.2	-93	-44.8	0	0	0	115.3	N715	N715-N717 VanDerWaalsContact C-N 3.25Å; N715-N717 PolarHBondContact O-N 3.2Å
718	I	43.2	Very low	47.6	Very low	130 Å²	130	129.5 Å²	129.5	67%	0.667	68%	0.678	S	S	*	*	S	Bend	trans	-84.6	-23.6	-178	-68.2	172.7	0	0	0	112.9	I720	I718-I720 VanDerWaalsContact C-N 3.33Å; I718-I720 PolarHBondContact O-N 3.21Å
719	F	41.1	Very low	50.1	Low	188 Å²	188	126.7 Å²	126.7	83%	0.825	66%	0.664	S	S	*	*	H	α-helix	trans	-68	-22.8	-174.1	-106.3	-86.8	0	0	0	115.6
720	I	47.7	Very low	52.9	Low	131 Å²	131	123.2 Å²	123.2	67%	0.672	64%	0.644	S	S	*	*	H	α-helix	trans	-78.3	-26.4	-172.9	-63	177.8	0	0	0	112.5	I718 S723	I718-I720 VanDerWaalsContact C-N 3.33Å; I718-I720 PolarHBondContact O-N 3.21Å; I720-S723 WeakPolarHBondContact O-CB 3.18Å
721	K	48.4	Very low	55.7	Low	181 Å²	181	122.6 Å²	122.6	79%	0.787	63%	0.632	S	S	*	*	H	α-helix	trans	-84.1	-19.4	179.6	-89.6	-176.3	174.3	178.5	0	115.2
722	F	50.8	Low	58.7	Low	153 Å²	153	118.9 Å²	118.9	67%	0.671	62%	0.619	S	S	*	*	H	α-helix	trans	-75.9	-26.7	170.4	-92.4	-85.6	0	0	0	112.6	T724 F726	F722-T724 PolarHBondContact O-N 2.97Å; F722-F726 WeakPolarHBondContact O-CB 3.35Å; F722-F726 PolarHBondContact O-N 3.02Å
723	S	62.2	Low	61.7	Low	57 Å²	57	118.6 Å²	118.6	40%	0.399	61%	0.609	S	S	.	*	H	α-helix	trans	-53.3	-51.2	-177.9	179.5	0	0	0	0	113.3	I720 F726 I727	I720-S723 WeakPolarHBondContact O-CB 3.18Å; S723-F726 PolarHBondContact O-N 3.34Å; S723-I727 WeakPolarHBondContact O-CB 3.15Å; S723-I727 WeakPolarHBondContact O-CD1 3.23Å; S723-I727 WeakPolarHBondContact O-CG1 3.44Å; S723-I727 PolarHBondContact O-N 2.03Å; S723-I727 WeakPolarHBondContact OG-CD1 3.42Å
724	T	69.3	Low	64.6	Low	83 Å²	83	113.8 Å²	113.8	51%	0.509	59%	0.592	S	S	.	*	H	α-helix	trans	-66.1	-45.6	-173.8	47.6	0	0	0	0	113.1	F722 I727 I728	F722-T724 PolarHBondContact O-N 2.97Å; T724-I727 PolarHBondContact O-N 2.95Å; T724-I728 VanDerWaalsContact O-CG1 3.29Å; T724-I728 WeakPolarHBondContact O-CG1 3.22Å; T724-I728 PolarHBondContact O-N 2.89Å
725	N	73.1	Confident	67.4	Low	117 Å²	117	112.9 Å²	112.9	63%	0.626	58%	0.584	S	S	*	*	H	α-helix	trans	-68.6	-35	178.3	-73.7	-11.8	0	0	0	112	I728 L729	N725-I728 PolarHBondContact O-N 3.12Å; N725-L729 PolarHBondContact O-N 3.3Å
726	F	76.9	Confident	70.1	Confident	130 Å²	130	107.8 Å²	107.8	57%	0.57	57%	0.565	S	S	*	*	H	α-helix	trans	-71.2	-37.4	176	-158.3	-104.1	0	0	0	112.1	F722 S723 L729 I730	F722-F726 WeakPolarHBondContact O-CB 3.35Å; F722-F726 PolarHBondContact O-N 3.02Å; S723-F726 PolarHBondContact O-N 3.34Å; F726-L729 PolarHBondContact O-N 2.92Å; F726-I730 HydrophobicContact CD1-CD1 3.76Å; F726-I730 HydrophobicContact CD1-CG1 4.37Å; F726-I730 HydrophobicContact CE1-CD1 3.65Å; F726-I730 HydrophobicContact CE1-CG1 4.32Å; F726-I730 WeakPolarHBondContact O-CG1 3.29Å; F726-I730 PolarHBondContact O-N 3.32Å
727	I	79	Confident	72.6	Confident	89 Å²	89	106.2 Å²	106.2	46%	0.456	56%	0.556	S	S	.	*	H	α-helix	trans	-62.8	-43.8	171.7	-72.1	165.6	0	0	0	110.7	S723 T724 L729 I730 I731	S723-I727 WeakPolarHBondContact O-CB 3.15Å; S723-I727 WeakPolarHBondContact O-CD1 3.23Å; S723-I727 WeakPolarHBondContact O-CG1 3.44Å; S723-I727 PolarHBondContact O-N 2.03Å; S723-I727 WeakPolarHBondContact OG-CD1 3.42Å; T724-I727 PolarHBondContact O-N 2.95Å; I727-L729 VanDerWaalsContact C-N 3.35Å; I727-L729 PolarHBondContact O-N 2.86Å; I727-I730 PolarHBondContact O-N 3.23Å; I727-I731 HydrophobicContact CG2-CD1 3.74Å; I727-I731 HydrophobicContact CG2-CG1 4.41Å; I727-I731 VanDerWaalsContact O-CG1 3.27Å; I727-I731 WeakPolarHBondContact O-CG1 3.18Å; I727-I731 PolarHBondContact O-N 2.73Å
728	I	82.9	Confident	74.9	Confident	97 Å²	97	104.7 Å²	104.7	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-60.7	-44.2	174.9	-69.1	164.4	0	0	0	110.7	T724 N725 I730 I731 C732	T724-I728 VanDerWaalsContact O-CG1 3.29Å; T724-I728 WeakPolarHBondContact O-CG1 3.22Å; T724-I728 PolarHBondContact O-N 2.89Å; N725-I728 PolarHBondContact O-N 3.12Å; I728-I730 PolarHBondContact O-N 2.95Å; I728-I731 PolarHBondContact O-N 3.26Å; I728-C732 PolarHBondContact O-N 2.86Å; I728-C732 PolarHBondContact O-SG 2.88Å; I728-C732 VanDerWaalsContact O-SG 3.35Å
729	L	83.5	Confident	77.1	Confident	96 Å²	96	105.6 Å²	105.6	50%	0.503	55%	0.546	S	S	.	.	H	α-helix	trans	-61	-43.7	176.6	-167.9	108.9	0	0	0	112.1	N725 F726 I727 C732 L733	N725-L729 PolarHBondContact O-N 3.3Å; F726-L729 PolarHBondContact O-N 2.92Å; I727-L729 VanDerWaalsContact C-N 3.35Å; I727-L729 PolarHBondContact O-N 2.86Å; L729-C732 PolarHBondContact O-N 2.8Å; L729-L733 HydrophobicContact CD2-CD1 3.97Å; L729-L733 HydrophobicContact CG-CD1 4.37Å; L729-L733 WeakPolarHBondContact O-CG 3.34Å; L729-L733 PolarHBondContact O-N 2.89Å
730	I	86.4	Confident	79.2	Confident	80 Å²	80	100.4 Å²	100.4	41%	0.41	53%	0.53	S	S	.	.	H	α-helix	trans	-63.3	-43.1	175.1	-72.4	176.2	0	0	0	111.1	F726 I727 I728 C732 L733 V734	F726-I730 HydrophobicContact CD1-CD1 3.76Å; F726-I730 HydrophobicContact CD1-CG1 4.37Å; F726-I730 HydrophobicContact CE1-CD1 3.65Å; F726-I730 HydrophobicContact CE1-CG1 4.32Å; F726-I730 WeakPolarHBondContact O-CG1 3.29Å; F726-I730 PolarHBondContact O-N 3.32Å; I727-I730 PolarHBondContact O-N 3.23Å; I728-I730 PolarHBondContact O-N 2.95Å; I730-C732 VanDerWaalsContact C-N 3.32Å; I730-C732 PolarHBondContact O-N 3.26Å; I730-L733 PolarHBondContact O-N 3.49Å; I730-V734 HydrophobicContact CG2-CG2 4.14Å; I730-V734 WeakPolarHBondContact O-CB 3.49Å; I730-V734 VanDerWaalsContact O-CG2 3.3Å; I730-V734 WeakPolarHBondContact O-CG2 3.43Å; I730-V734 PolarHBondContact O-N 3.37Å
731	I	89.7	Confident	81.1	Confident	97 Å²	97	99.5 Å²	99.5	50%	0.497	53%	0.526	S	S	.	.	H	α-helix	trans	-61.2	-42.2	175.9	-69	165.8	0	0	0	110.5	I727 I728 T735	I727-I731 HydrophobicContact CG2-CD1 3.74Å; I727-I731 HydrophobicContact CG2-CG1 4.41Å; I727-I731 VanDerWaalsContact O-CG1 3.27Å; I727-I731 WeakPolarHBondContact O-CG1 3.18Å; I727-I731 PolarHBondContact O-N 2.73Å; I728-I731 PolarHBondContact O-N 3.26Å; I731-T735 HydrophobicContact CG2-CG2 4.33Å; I731-T735 WeakPolarHBondContact O-CB 3.27Å; I731-T735 VanDerWaalsContact O-CG2 3.29Å; I731-T735 WeakPolarHBondContact O-CG2 3.45Å; I731-T735 PolarHBondContact O-N 2.84Å; I731-T735 PolarHBondContact O-OG1 2.7Å
732	C	90.5	Very high	82.9	Confident	78 Å²	78	98 Å²	98	53%	0.527	52%	0.519	S	S	.	.	H	α-helix	trans	-64.2	-40.4	175.6	-71.9	0	0	0	0	112.8	I728 L729 I730 T735 G736	I728-C732 PolarHBondContact O-N 2.86Å; I728-C732 PolarHBondContact O-SG 2.88Å; I728-C732 VanDerWaalsContact O-SG 3.35Å; L729-C732 PolarHBondContact O-N 2.8Å; I730-C732 VanDerWaalsContact C-N 3.32Å; I730-C732 PolarHBondContact O-N 3.26Å; C732-T735 WeakPolarHBondContact CA-OG1 3.35Å; C732-T735 PolarHBondContact O-OG1 3.37Å; C732-G736 PolarHBondContact O-N 3.09Å
733	L	90.9	Very high	84.5	Confident	103 Å²	103	97.5 Å²	97.5	54%	0.539	51%	0.514	S	S	.	.	H	α-helix	trans	-68.7	-45.8	176.8	-73	170.9	0	0	0	111.9	L729 I730 G736 I737	L729-L733 HydrophobicContact CD2-CD1 3.97Å; L729-L733 HydrophobicContact CG-CD1 4.37Å; L729-L733 WeakPolarHBondContact O-CG 3.34Å; L729-L733 PolarHBondContact O-N 2.89Å; I730-L733 PolarHBondContact O-N 3.49Å; L733-G736 PolarHBondContact O-N 3.36Å; L733-I737 VanDerWaalsContact O-CG1 3.28Å; L733-I737 WeakPolarHBondContact O-CG1 3.19Å; L733-I737 PolarHBondContact O-N 2.79Å
734	V	91.3	Very high	85.3	Confident	73 Å²	73	102.8 Å²	102.8	44%	0.442	53%	0.526	S	S	.	.	H	α-helix	trans	-64.9	-44	178.6	172.4	0	0	0	0	111.1	I730 I737 I738	I730-V734 HydrophobicContact CG2-CG2 4.14Å; I730-V734 WeakPolarHBondContact O-CB 3.49Å; I730-V734 VanDerWaalsContact O-CG2 3.3Å; I730-V734 WeakPolarHBondContact O-CG2 3.43Å; I730-V734 PolarHBondContact O-N 3.37Å; V734-I737 PolarHBondContact O-N 2.69Å; V734-I738 HydrophobicContact CG1-CD1 3.75Å; V734-I738 HydrophobicContact CG1-CG1 4.44Å; V734-I738 WeakPolarHBondContact O-CB 3.09Å; V734-I738 VanDerWaalsContact O-CG1 3.25Å; V734-I738 WeakPolarHBondContact O-CG1 3.08Å; V734-I738 PolarHBondContact O-N 2.8Å
735	T	92.2	Very high	85.7	Confident	81 Å²	81	104.7 Å²	104.7	50%	0.497	53%	0.529	S	S	.	.	H	α-helix	trans	-65.7	-37.4	175.4	51.9	0	0	0	0	112.2	I731 C732 I738 F739	I731-T735 HydrophobicContact CG2-CG2 4.33Å; I731-T735 WeakPolarHBondContact O-CB 3.27Å; I731-T735 VanDerWaalsContact O-CG2 3.29Å; I731-T735 WeakPolarHBondContact O-CG2 3.45Å; I731-T735 PolarHBondContact O-N 2.84Å; I731-T735 PolarHBondContact O-OG1 2.7Å; C732-T735 WeakPolarHBondContact CA-OG1 3.35Å; C732-T735 PolarHBondContact O-OG1 3.37Å; T735-I738 PolarHBondContact O-N 3.35Å; T735-F739 VanDerWaalsContact O-CB 3.31Å; T735-F739 WeakPolarHBondContact O-CB 3.44Å; T735-F739 PolarHBondContact O-N 3.37Å
736	G	91.6	Very high	86	Confident	35 Å²	35	106.5 Å²	106.5	36%	0.361	53%	0.528	S	S	.	.	H	α-helix	trans	-63.3	-43	172.8	0	0	0	0	0	113.8	C732 L733 F739 T740	C732-G736 PolarHBondContact O-N 3.09Å; L733-G736 PolarHBondContact O-N 3.36Å; G736-F739 PolarHBondContact O-N 2.94Å; G736-T740 WeakPolarHBondContact O-CB 3.23Å; G736-T740 PolarHBondContact O-N 2.63Å; G736-T740 PolarHBondContact O-OG1 2.72Å
737	I	90.9	Very high	85.6	Confident	104 Å²	104	103.7 Å²	103.7	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-65.3	-47.4	175.4	-68.8	164.1	0	0	0	110.4	L733 V734 F739 T740 L741	L733-I737 VanDerWaalsContact O-CG1 3.28Å; L733-I737 WeakPolarHBondContact O-CG1 3.19Å; L733-I737 PolarHBondContact O-N 2.79Å; V734-I737 PolarHBondContact O-N 2.69Å; I737-F739 VanDerWaalsContact C-N 3.34Å; I737-F739 PolarHBondContact O-N 3.33Å; I737-T740 PolarHBondContact O-N 3.45Å; I737-L741 HydrophobicContact CG2-CD1 3.93Å; I737-L741 HydrophobicContact CG2-CG 4.39Å; I737-L741 WeakPolarHBondContact O-CG 3.48Å; I737-L741 PolarHBondContact O-N 2.77Å
738	I	90.2	Very high	84.7	Confident	96 Å²	96	104.3 Å²	104.3	49%	0.492	53%	0.527	S	S	.	.	H	α-helix	trans	-58.9	-45.9	176.8	-69.6	167.6	0	0	0	110.5	V734 T735 T740 L741 F742	V734-I738 HydrophobicContact CG1-CD1 3.75Å; V734-I738 HydrophobicContact CG1-CG1 4.44Å; V734-I738 WeakPolarHBondContact O-CB 3.09Å; V734-I738 VanDerWaalsContact O-CG1 3.25Å; V734-I738 WeakPolarHBondContact O-CG1 3.08Å; V734-I738 PolarHBondContact O-N 2.8Å; T735-I738 PolarHBondContact O-N 3.35Å; I738-T740 VanDerWaalsContact C-N 3.33Å; I738-T740 PolarHBondContact O-N 3.17Å; I738-L741 PolarHBondContact O-N 3.22Å; I738-F742 WeakPolarHBondContact O-CB 3.47Å; I738-F742 PolarHBondContact O-N 2.04Å
739	F	89.7	Confident	83.2	Confident	148 Å²	148	105.9 Å²	105.9	65%	0.649	54%	0.536	S	S	*	.	H	α-helix	trans	-63.4	-38.8	178.5	-166.5	-89.4	0	0	0	112.1	T735 G736 I737 F742 Y743	T735-F739 VanDerWaalsContact O-CB 3.31Å; T735-F739 WeakPolarHBondContact O-CB 3.44Å; T735-F739 PolarHBondContact O-N 3.37Å; G736-F739 PolarHBondContact O-N 2.94Å; I737-F739 VanDerWaalsContact C-N 3.34Å; I737-F739 PolarHBondContact O-N 3.33Å; F739-F742 PolarHBondContact O-N 2.86Å; F739-Y743 VanDerWaalsContact O-CB 3.26Å; F739-Y743 WeakPolarHBondContact O-CB 3.37Å; F739-Y743 PolarHBondContact O-N 2.78Å
740	T	86.2	Confident	81.4	Confident	79 Å²	79	105.3 Å²	105.3	49%	0.485	54%	0.537	S	S	.	.	H	α-helix	trans	-66.9	-42.1	176.8	-54.1	0	0	0	0	111.5	G736 I737 I738 Y743 Y744	G736-T740 WeakPolarHBondContact O-CB 3.23Å; G736-T740 PolarHBondContact O-N 2.63Å; G736-T740 PolarHBondContact O-OG1 2.72Å; I737-T740 PolarHBondContact O-N 3.45Å; I738-T740 VanDerWaalsContact C-N 3.33Å; I738-T740 PolarHBondContact O-N 3.17Å; T740-Y743 PolarHBondContact O-N 2.98Å; T740-Y744 HydrophobicContact CG2-CD2 4.43Å; T740-Y744 PolarHBondContact O-N 2.85Å
741	L	87.6	Confident	79	Confident	112 Å²	112	107 Å²	107	59%	0.586	55%	0.554	S	S	*	*	H	α-helix	trans	-64.9	-42.5	174.1	-71.6	171.9	0	0	0	111.6	I737 I738 Y744 H745	I737-L741 HydrophobicContact CG2-CD1 3.93Å; I737-L741 HydrophobicContact CG2-CG 4.39Å; I737-L741 WeakPolarHBondContact O-CG 3.48Å; I737-L741 PolarHBondContact O-N 2.77Å; I738-L741 PolarHBondContact O-N 3.22Å; L741-Y744 PolarHBondContact O-N 3.04Å; L741-H745 VanDerWaalsContact O-CB 3.25Å; L741-H745 WeakPolarHBondContact O-CB 3.44Å; L741-H745 PolarHBondContact O-N 2.84Å
742	F	84.9	Confident	76.5	Confident	149 Å²	149	111.1 Å²	111.1	65%	0.654	57%	0.572	S	S	*	*	H	α-helix	trans	-64.8	-40.4	176.7	-137.9	-85.5	0	0	0	111.4	I738 F739 H745 Y746	I738-F742 WeakPolarHBondContact O-CB 3.47Å; I738-F742 PolarHBondContact O-N 2.04Å; F739-F742 PolarHBondContact O-N 2.86Å; F742-H745 PolarHBondContact O-N 2.88Å; F742-Y746 VanDerWaalsContact O-CB 3.27Å; F742-Y746 WeakPolarHBondContact O-CB 3.33Å; F742-Y746 PolarHBondContact O-N 2.65Å
743	Y	84.7	Confident	73.9	Confident	144 Å²	144	113.5 Å²	113.5	57%	0.565	59%	0.586	S	S	*	*	H	α-helix	trans	-64.6	-41.9	175.1	-176.8	-100.6	0	0	0	112.3	F739 T740 N747	F739-Y743 VanDerWaalsContact O-CB 3.26Å; F739-Y743 WeakPolarHBondContact O-CB 3.37Å; F739-Y743 PolarHBondContact O-N 2.78Å; T740-Y743 PolarHBondContact O-N 2.98Å; Y743-N747 WeakPolarHBondContact CE1-ND2 3.47Å; Y743-N747 WeakPolarHBondContact CE2-ND2 3.34Å; Y743-N747 WeakPolarHBondContact O-CB 3.37Å; Y743-N747 PolarHBondContact O-N 2.94Å; Y743-N747 VanDerWaalsContact O-N 3.12Å; Y743-N747 PolarHBondContact O-ND2 2.86Å
744	Y	79.8	Confident	71.2	Confident	167 Å²	167	119.3 Å²	119.3	66%	0.655	60%	0.601	S	S	*	*	H	α-helix	trans	-64.4	-46.4	173.2	-107.3	-84	0	0	0	111.8	T740 L741 Y746 N747 T748	T740-Y744 HydrophobicContact CG2-CD2 4.43Å; T740-Y744 PolarHBondContact O-N 2.85Å; L741-Y744 PolarHBondContact O-N 3.04Å; Y744-Y746 VanDerWaalsContact C-N 3.34Å; Y744-Y746 PolarHBondContact O-N 3.45Å; Y744-N747 PolarHBondContact O-N 3.09Å; Y744-T748 WeakPolarHBondContact O-CG2 3.49Å; Y744-T748 PolarHBondContact O-N 3.22Å; Y744-T748 PolarHBondContact O-OG1 3.09Å
745	H	78.5	Confident	68.5	Low	123 Å²	123	126.8 Å²	126.8	57%	0.569	62%	0.623	S	S	*	*	H	α-helix	trans	-67.7	-33.4	-177.9	-161.4	-27.2	0	0	0	112.5	L741 F742 T748 L749	L741-H745 VanDerWaalsContact O-CB 3.25Å; L741-H745 WeakPolarHBondContact O-CB 3.44Å; L741-H745 PolarHBondContact O-N 2.84Å; F742-H745 PolarHBondContact O-N 2.88Å; H745-T748 WeakPolarHBondContact CA-OG1 3.25Å; H745-T748 PolarHBondContact O-OG1 3.26Å; H745-L749 VanDerWaalsContact CE1-CD1 3.43Å; H745-L749 WeakPolarHBondContact CE1-CD1 3.27Å; H745-L749 VanDerWaalsContact ND1-CD1 3.28Å; H745-L749 WeakPolarHBondContact ND1-CD1 3.31Å; H745-L749 WeakPolarHBondContact O-CD1 3.49Å; H745-L749 PolarHBondContact O-N 3.2Å
746	Y	77.9	Confident	65.6	Low	155 Å²	155	130.4 Å²	130.4	61%	0.608	64%	0.639	S	S	*	*	H	α-helix	trans	-69.5	-47.4	174.3	-160.1	-89.7	0	0	0	110.9	F742 Y744 T748 L749 T750	F742-Y746 VanDerWaalsContact O-CB 3.27Å; F742-Y746 WeakPolarHBondContact O-CB 3.33Å; F742-Y746 PolarHBondContact O-N 2.65Å; Y744-Y746 VanDerWaalsContact C-N 3.34Å; Y744-Y746 PolarHBondContact O-N 3.45Å; Y746-T748 VanDerWaalsContact C-N 3.32Å; Y746-T748 PolarHBondContact O-N 3.42Å; Y746-L749 PolarHBondContact O-N 3.14Å; Y746-T750 PolarHBondContact O-N 3.41Å; Y746-T750 PolarHBondContact O-OG1 3.07Å
747	N	69.4	Low	62.9	Low	71 Å²	71	137.5 Å²	137.5	38%	0.38	66%	0.663	S	S	.	*	H	α-helix	trans	-67.4	-27.7	179	-75.2	-42.7	0	0	0	113.7	Y743 Y744	Y743-N747 WeakPolarHBondContact CE1-ND2 3.47Å; Y743-N747 WeakPolarHBondContact CE2-ND2 3.34Å; Y743-N747 WeakPolarHBondContact O-CB 3.37Å; Y743-N747 PolarHBondContact O-N 2.94Å; Y743-N747 VanDerWaalsContact O-N 3.12Å; Y743-N747 PolarHBondContact O-ND2 2.86Å; Y744-N747 PolarHBondContact O-N 3.09Å
748	T	59.2	Low	60.1	Low	102 Å²	102	138.5 Å²	138.5	63%	0.626	68%	0.678	S	S	*	*	H	α-helix	trans	-78.1	-18.1	175.3	49.1	0	0	0	0	114.1	Y744 H745 Y746	Y744-T748 WeakPolarHBondContact O-CG2 3.49Å; Y744-T748 PolarHBondContact O-N 3.22Å; Y744-T748 PolarHBondContact O-OG1 3.09Å; H745-T748 WeakPolarHBondContact CA-OG1 3.25Å; H745-T748 PolarHBondContact O-OG1 3.26Å; Y746-T748 VanDerWaalsContact C-N 3.32Å; Y746-T748 PolarHBondContact O-N 3.42Å
749	L	52.9	Low	57.4	Low	131 Å²	131	139.1 Å²	139.1	69%	0.686	69%	0.689	S	S	*	*	H	α-helix	trans	-87.3	-17	171.5	-93.7	88	0	0	0	114	H745 Y746	H745-L749 VanDerWaalsContact CE1-CD1 3.43Å; H745-L749 WeakPolarHBondContact CE1-CD1 3.27Å; H745-L749 VanDerWaalsContact ND1-CD1 3.28Å; H745-L749 WeakPolarHBondContact ND1-CD1 3.31Å; H745-L749 WeakPolarHBondContact O-CD1 3.49Å; H745-L749 PolarHBondContact O-N 3.2Å; Y746-L749 PolarHBondContact O-N 3.14Å
750	T	45.9	Very low	54.5	Low	83 Å²	83	143 Å²	143	51%	0.509	70%	0.7	S	S	.	*	S	Bend	trans	-117.7	54.3	-175	63.8	0	0	0	0	113.7	Y746	Y746-T750 PolarHBondContact O-N 3.41Å; Y746-T750 PolarHBondContact O-OG1 3.07Å
751	C	36	Very low	51.9	Low	116 Å²	116	144.3 Å²	144.3	78%	0.784	71%	0.708	S	S	*	*			trans	-160.5	89.8	161	-117	0	0	0	0	113.2
752	Q	36.5	Very low	49.2	Very low	184 Å²	184	149.2 Å²	149.2	86%	0.86	73%	0.725	S	S	*	*			trans	-75.4	130.5	160.2	-83.6	-167.1	-32	0	0	109.9	R754	Q752-R754 PolarHBondContact O-N 2.86Å
753	P	35.5	Very low	46.8	Very low	127 Å²	127	149.2 Å²	149.2	83%	0.825	73%	0.726	S	S	*	*			trans	-82.7	118.7	176	31.7	-32	0	0	0	111.3
754	R	34.4	Very low	44.1	Very low	225 Å²	225	151.3 Å²	151.3	85%	0.849	73%	0.733	S	S	*	*			trans	-119.6	119.3	154.3	-76.8	-175.1	178	178.9	0.6	107.8	Q752	Q752-R754 PolarHBondContact O-N 2.86Å
755	Y	35.4	Very low	41.9	Very low	231 Å²	231	156 Å²	156	91%	0.906	75%	0.75	S	S	*	*				174.5	102.6	129.7	-104.6	-75.8	0	0	0	110.1
756	N	30.5	Very low	39.7	Very low	157 Å²	157	154.8 Å²	154.8	84%	0.84	75%	0.748	S	S	*	*			trans	-109	117.1	162.6	-101.4	-20.4	0	0	0	106.7
757	Q	33.9	Very low	37.6	Very low	183 Å²	183	155.6 Å²	155.6	86%	0.855	76%	0.757	S	S	*	*			trans	172.9	107.3	147.8	-101.2	164	-16.6	0	0	113.3
758	C	33.1	Very low	35.9	Very low	126 Å²	126	162.1 Å²	162.1	85%	0.851	78%	0.782	S	S	*	*			trans	173.7	95.4	144.5	-99.9	0	0	0	0	106.5
759	C	32.3	Very low	34.6	Very low	109 Å²	109	166.8 Å²	166.8	74%	0.736	79%	0.793	S	S	*	*				52.9	128.8	81.2	-67.8	0	0	0	0	113.5
760	R	30.6	Very low	33.9	Very low	230 Å²	230	165.7 Å²	165.7	87%	0.868	79%	0.794	S	S	*	*			cis	-158.8	149.4	0.6	-117.8	177.7	-170.9	-177.6	2.1	111.6
761	T	30.9	Very low	33.2	Very low	106 Å²	106	167.1 Å²	167.1	65%	0.65	80%	0.803	S	S	*	*			trans	-34	151.8	165.7	49.8	0	0	0	0	119.9
762	F	30.8	Very low	33	Very low	215 Å²	215	168.4 Å²	168.4	94%	0.943	80%	0.802	S	S	*	*			trans	-131.1	139.1	138.3	-120.9	-91.9	0	0	0	110.9
763	H	34.8	Very low	32.8	Very low	148 Å²	148	166.8 Å²	166.8	69%	0.685	80%	0.799	S	S	*	*			trans	-80.9	145.4	-175.3	-85.9	-123.2	0	0	0	111.7
764	R	27.7	Very low	32.5	Very low	188 Å²	188	169.3 Å²	169.3	71%	0.709	80%	0.8	S	S	*	*				71.9	107	57.8	-166.2	-168.1	-163.5	-175.5	9.6	114.9
765	W	34.7	Very low	32.1	Very low	265 Å²	265	166.3 Å²	166.3	100%	1.004	80%	0.8	S	S	*	*			trans	-151	156	144.5	-115.7	31.7	0	0	0	111.4
766	N	30.5	Very low	31.8	Very low	99 Å²	99	160 Å²	160	53%	0.529	79%	0.785	S	S	.	*			trans	-121.7	171	-156.5	-76.4	-10.3	0	0	0	114.9
767	H	34.9	Very low	31.6	Very low	171 Å²	171	157.8 Å²	157.8	79%	0.792	78%	0.778	S	S	*	*			trans	76.5	116.5	156.1	-51.9	-65.2	0	0	0	116.6
768	K	33.8	Very low	31.3	Very low	208 Å²	208	159.3 Å²	159.3	90%	0.904	78%	0.777	S	S	*	*				-155.2	157.3	51.8	-82.5	175.1	170.7	173.5	0	113.4
769	K	32.4	Very low	31.1	Very low	200 Å²	200	160.3 Å²	160.3	87%	0.87	77%	0.774	S	S	*	*			trans	-90.5	180	165.7	-95.8	-176.5	176.3	-176.2	0	110.5
770	P	37.7	Very low	30.8	Very low	108 Å²	108	162.9 Å²	162.9	70%	0.701	78%	0.78	S	S	*	*			cis	-123.6	-175.1	-15.5	25	0.4	0	0	0	110.8
771	T	31.6	Very low	30.5	Very low	114 Å²	114	157.5 Å²	157.5	70%	0.699	78%	0.776	S	S	*	*				-172.8	159.1	50.1	34.8	0	0	0	0	110.7
772	N	31	Very low	30.6	Very low	142 Å²	142	158.1 Å²	158.1	76%	0.759	78%	0.784	S	S	*	*			trans	45.1	114	152.6	-62.6	9.9	0	0	0	118.7
773	N	31.7	Very low	30.6	Very low	151 Å²	151	154.8 Å²	154.8	81%	0.807	78%	0.776	S	S	*	*				-158.7	173.1	56.6	-101.7	-14.3	0	0	0	113.3
774	Q	29.5	Very low	30.6	Very low	180 Å²	180	153.1 Å²	153.1	84%	0.841	78%	0.779	S	S	*	*			trans	-72.2	131	-167.1	-65.1	159.1	-48.9	0	0	113.9
775	L	27.1	Very low	30.7	Very low	162 Å²	162	150.3 Å²	150.3	85%	0.848	78%	0.777	S	S	*	*			trans	-94.8	112.4	158.2	-133.9	88.3	0	0	0	107.8	T777	L775-T777 PolarHBondContact O-N 3.5Å
776	V	28.8	Very low	30.6	Very low	99 Å²	99	145.5 Å²	145.5	60%	0.6	77%	0.771	S	S	*	*			trans	-85.8	109.4	172.5	177.6	0	0	0	0	108.7	Y778	V776-Y778 HydrophobicContact CG1-CD2 3.96Å; V776-Y778 HydrophobicContact CG1-CE2 3.65Å
777	T	26.2	Very low	30.5	Very low	110 Å²	110	146.1 Å²	146.1	68%	0.675	78%	0.779	S	S	*	*			trans	-84.5	110.1	167	28.4	0	0	0	0	109.6	L775 N779	L775-T777 PolarHBondContact O-N 3.5Å; T777-N779 PolarHBondContact O-N 3.04Å; T777-N779 VanDerWaalsContact O-N 3.14Å
778	Y	27.9	Very low	30.4	Very low	214 Å²	214	147.6 Å²	147.6	84%	0.839	78%	0.783	S	S	*	*			trans	-76.5	98.9	169	-79.2	-78.7	0	0	0	110.1	V776	V776-Y778 HydrophobicContact CG1-CD2 3.96Å; V776-Y778 HydrophobicContact CG1-CE2 3.65Å
779	N	28.9	Very low	30.1	Very low	147 Å²	147	143.4 Å²	143.4	79%	0.786	77%	0.774	S	S	*	*			trans	-73.4	149.2	164.7	-80.9	-35.8	0	0	0	110.4	T777	T777-N779 PolarHBondContact O-N 3.04Å; T777-N779 VanDerWaalsContact O-N 3.14Å
780	L	25.6	Very low	30.1	Very low	164 Å²	164	141.2 Å²	141.2	86%	0.859	77%	0.771	S	S	*	*			trans	-67.5	158.7	166.8	-70.6	101.6	0	0	0	112
781	C	24.5	Very low	29.8	Very low	116 Å²	116	144.7 Å²	144.7	78%	0.784	78%	0.778	S	S	*	*			trans	107.8	119.1	155.8	-61.5	0	0	0	0	118.7
782	S	32.3	Very low	29.5	Very low	119 Å²	119	144.7 Å²	144.7	83%	0.832	78%	0.783	S	S	*	*			trans	95.1	122.7	137	-59.5	0	0	0	0	121.5
783	N	30.6	Very low	29.7	Very low	145 Å²	145	142.8 Å²	142.8	78%	0.775	78%	0.778	S	S	*	*			trans	-37.5	168.4	156.6	-99.9	-9.2	0	0	0	116.1
784	P	34.3	Very low	29.7	Very low	113 Å²	113	141 Å²	141	73%	0.734	77%	0.772	S	S	*	*			cis	-147	173.2	32.4	41.1	-20.2	0	0	0	120.1
785	L	30.8	Very low	30	Very low	129 Å²	129	139 Å²	139	68%	0.675	77%	0.768	S	S	*	*			trans	0.1	137.4	151.1	-71.5	152.9	0	0	0	120.8
786	N	32.7	Very low	30.3	Very low	165 Å²	165	139.9 Å²	139.9	88%	0.882	77%	0.767	S	S	*	*				-161.4	154.7	126.9	-116.1	-35.8	0	0	0	114.6
787	T	28.1	Very low	30.5	Very low	112 Å²	112	139.2 Å²	139.2	69%	0.687	77%	0.772	S	S	*	*			trans	-105.7	155.9	-167.9	47.7	0	0	0	0	115.1
788	K	31.9	Very low	30.9	Very low	201 Å²	201	140.4 Å²	140.4	87%	0.874	77%	0.774	S	S	*	*			trans	171	118.6	152.7	-96.2	160.4	-174.9	-176.2	0	107.3
789	V	27.9	Very low	31.2	Very low	120 Å²	120	136.1 Å²	136.1	73%	0.727	77%	0.771	S	S	*	*				67.3	97.8	52.1	-172.5	0	0	0	0	113.9
790	L	32.2	Very low	31.4	Very low	155 Å²	155	133.6 Å²	133.6	81%	0.812	76%	0.764	S	S	*	*			trans	177.3	105.6	140.7	-116.4	79.5	0	0	0	106.2
791	Q	31.4	Very low	31.6	Very low	181 Å²	181	132.4 Å²	132.4	85%	0.846	76%	0.759	S	S	*	*				68.2	116	84.4	-80.1	-179.3	-35	0	0	117
792	S	26.1	Very low	32	Very low	113 Å²	113	135.2 Å²	135.2	79%	0.79	76%	0.76	S	S	*	*			trans	-51.9	-179.4	160.5	-139.9	0	0	0	0	113.3
793	P	34.6	Very low	31.9	Very low	103 Å²	103	133.6 Å²	133.6	67%	0.669	75%	0.749	S	S	*	*			cis	-151.7	-166.2	20.9	35.7	-8.5	0	0	0	118.8
794	V	32.8	Very low	31.8	Very low	113 Å²	113	133.7 Å²	133.7	69%	0.685	75%	0.748	S	S	*	*			trans	63.5	152.2	161.7	-107.5	0	0	0	0	117.8
795	D	34.8	Very low	31.5	Very low	139 Å²	139	134.7 Å²	134.7	74%	0.743	75%	0.748	S	S	*	*			cis	-131.6	147.3	10	-59.4	-68.7	0	0	0	109.5
796	E	32.9	Very low	31.4	Very low	180 Å²	180	133.3 Å²	133.3	84%	0.841	75%	0.749	S	S	*	*				91.1	143.1	53.2	-149.6	174.4	-119.8	0	0	114.8
797	A	34.4	Very low	31.4	Very low	84 Å²	84	132.6 Å²	132.6	69%	0.694	74%	0.744	S	S	*	*			trans	72	144.7	177.3	0	0	0	0	0	118.6
798	D	34	Very low	31.4	Very low	136 Å²	136	133.6 Å²	133.6	73%	0.727	74%	0.744	S	S	*	*			cis	-169.7	152.4	-16.8	-117.1	-31	0	0	0	111.1
799	T	34.3	Very low	31.2	Very low	124 Å²	124	131.2 Å²	131.2	76%	0.761	74%	0.736	S	S	*	*			trans	58.5	155.6	153	60.3	0	0	0	0	120.5
800	S	33.3	Very low	31.2	Very low	93 Å²	93	131.7 Å²	131.7	65%	0.65	73%	0.73	S	S	*	*			cis	-170.3	140.6	-17.2	49.7	0	0	0	0	110.3
801	D	29.3	Very low	31.2	Very low	139 Å²	139	130.8 Å²	130.8	74%	0.743	73%	0.726	S	S	*	*			trans	56.7	157.5	143.5	-67.3	-42.4	0	0	0	125.2
802	H	34	Very low	31	Very low	175 Å²	175	126.4 Å²	126.4	81%	0.81	72%	0.716	S	S	*	*			trans	78.7	135.9	166	-60.8	-65.3	0	0	0	119.2
803	S	29.5	Very low	31	Very low	86 Å²	86	129.4 Å²	129.4	60%	0.601	72%	0.717	S	S	*	*			cis	163.2	145.1	-31	47.7	0	0	0	0	108.2
804	L	28.7	Very low	30.8	Very low	146 Å²	146	133.6 Å²	133.6	76%	0.764	73%	0.728	S	S	*	*			trans	73.3	113.2	153.5	-99.3	80.1	0	0	0	121.8
805	N	27.5	Very low	30.4	Very low	135 Å²	135	134.9 Å²	134.9	72%	0.722	73%	0.73	S	S	*	*				71.5	120.8	115.9	-74.5	3.9	0	0	0	124
806	S	28.6	Very low	30	Very low	100 Å²	100	135.9 Å²	135.9	70%	0.699	73%	0.73	S	S	*	*				95	164.8	119.1	74.7	0	0	0	0	120.6
807	I	32.2	Very low	29.7	Very low	150 Å²	150	134.3 Å²	134.3	77%	0.769	72%	0.722	S	S	*	*			trans	81.5	126.5	176.3	-51.8	165.6	0	0	0	112.8
808	L	28.6	Very low	29.4	Very low	133 Å²	133	140 Å²	140	70%	0.696	73%	0.727	S	S	*	*			cis	170.3	157.4	-18.9	-108.3	153.2	0	0	0	104.7
809	Q	28.1	Very low	29.1	Very low	150 Å²	150	137.6 Å²	137.6	70%	0.701	72%	0.721	S	S	*	*			trans	18.4	140.9	151.1	-76.3	171.7	-81	0	0	119.8
810	E	28.4	Very low	28.7	Very low	131 Å²	131	135.3 Å²	135.3	61%	0.612	71%	0.71	S	S	*	*			cis	-179	171.9	35.1	-139.7	167.1	-142	0	0	112.5
811	N	31.4	Very low	28.3	Very low	135 Å²	135	137.7 Å²	137.7	72%	0.722	72%	0.715	S	S	*	*			trans	69.9	149.3	158.5	-56.7	-40.8	0	0	0	119.3
812	S	26.7	Very low	28.2	Very low	90 Å²	90	140.1 Å²	140.1	63%	0.629	72%	0.719	S	S	*	*			cis	-172.8	147.4	-27	55.8	0	0	0	0	110
813	H	26.6	Very low	27.9	Very low	175 Å²	175	143.2 Å²	143.2	81%	0.81	73%	0.725	S	S	*	*			trans	35.9	111	157.3	-60.2	-67.5	0	0	0	121.9
814	Q	30.1	Very low	27.7	Very low	192 Å²	192	146.7 Å²	146.7	90%	0.897	74%	0.736	S	S	*	*				-174.7	106.2	119.4	-99.7	166.6	28.1	0	0	108.9
815	L	25.5	Very low	27.6	Very low	140 Å²	140	146.5 Å²	146.5	73%	0.733	73%	0.731	S	S	*	*				80.5	106.3	74.4	-144.8	91.7	0	0	0	114.7
816	H	26.5	Very low	27.6	Very low	159 Å²	159	144.8 Å²	144.8	74%	0.736	73%	0.73	S	S	*	*			trans	69.3	147.7	156.9	-70	-29.8	0	0	0	118.3
817	Q	25.4	Very low	27.4	Very low	148 Å²	148	147.6 Å²	147.6	69%	0.692	74%	0.737	S	S	*	*			cis	-165.2	150.8	21.5	-131.6	176.2	2.4	0	0	112.3
818	Y	28.8	Very low	27.1	Very low	202 Å²	202	146.4 Å²	146.4	79%	0.792	74%	0.741	S	S	*	*			trans	51.3	169.5	159.8	-68.1	-74.2	0	0	0	120.7
819	S	27.4	Very low	26.9	Very low	87 Å²	87	144.6 Å²	144.6	61%	0.608	74%	0.739	S	S	*	*				-163.5	145.3	-58.9	53.9	0	0	0	0	113.2
820	S	25.2	Very low	26.8	Very low	75 Å²	75	146.3 Å²	146.3	52%	0.524	75%	0.75	S	S	.	*			trans	-10.7	130.8	158.1	56.6	0	0	0	0	120	R151	R151-S820 VanDerWaalsContact NH1-CB 3.34Å
821	L	25.9	Very low	26.7	Very low	143 Å²	143	147 Å²	147	75%	0.749	76%	0.756	S	S	*	*			trans	-113.6	131.7	158.1	-113.3	157.2	0	0	0	110.7
822	K	26.5	Very low	26.6	Very low	190 Å²	190	146.8 Å²	146.8	83%	0.826	76%	0.76	S	S	*	*			trans	-87.9	147.4	174.7	-73.1	173.5	172.2	176.6	0	109.4	L824	K822-L824 PolarHBondContact O-N 3.18Å
823	Y	27.6	Very low	26.6	Very low	240 Å²	240	151.1 Å²	151.1	94%	0.941	77%	0.77	S	S	*	*			trans	-61.6	130.8	163.3	-87.7	-94.1	0	0	0	110.4
824	L	25.6	Very low	26.8	Very low	160 Å²	160	150.8 Å²	150.8	84%	0.838	77%	0.769	S	S	*	*			trans	-124.9	117.3	177.8	-154.8	136.5	0	0	0	107.1	K822 S826	K822-L824 PolarHBondContact O-N 3.18Å; L824-S826 PolarHBondContact O-N 3.21Å
825	E	27	Very low	27	Very low	142 Å²	142	148.3 Å²	148.3	66%	0.664	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-70.3	123	-177.3	-74.4	172.7	147.5	0	0	111.1	R289	R289-E825 IonicContact CZ-OE1 3.58Å; R289-E825 IonicContact CZ-OE2 3.02Å; R289-E825 IonicContact NE-OE1 2.68Å; R289-E825 IonicContact NE-OE2 2.77Å; R289-E825 IonicContact NH2-OE1 2.78Å; R289-E825 PolarHBondContact NH2-OE1 3.33Å; R289-E825 IonicContact NH2-OE2 2.65Å; R289-E825 PolarHBondContact NH2-OE2 3.08Å
826	S	26.7	Very low	27.2	Very low	99 Å²	99	149.5 Å²	149.5	69%	0.692	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-98.9	117.4	167.2	51	0	0	0	0	110.5	L824 C828	L824-S826 PolarHBondContact O-N 3.21Å; S826-C828 PolarHBondContact O-N 3.48Å
827	N	24.9	Very low	27.5	Very low	158 Å²	158	148 Å²	148	85%	0.845	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-66.4	122.4	172.7	-73.4	-49.1	0	0	0	110.9
828	C	25.4	Very low	28.1	Very low	125 Å²	125	148.3 Å²	148.3	85%	0.845	77%	0.765	S	S	*	*			trans	-113.6	83.1	165.8	-77.3	0	0	0	0	110.8	S826	S826-C828 PolarHBondContact O-N 3.48Å
829	S	25.6	Very low	28.6	Very low	95 Å²	95	146.2 Å²	146.2	66%	0.664	76%	0.762	S	S	*	*			trans	-91.9	115.7	163.5	49.6	0	0	0	0	109.9	I831	S829-I831 PolarHBondContact O-N 3.35Å
830	M	25.9	Very low	28.9	Very low	187 Å²	187	150.4 Å²	150.4	92%	0.921	77%	0.769	S	S	*	*			trans	-69.4	114.3	169.5	-76	-140	-75.1	0	0	110
831	I	26.2	Very low	29.3	Very low	144 Å²	144	154.6 Å²	154.6	74%	0.738	78%	0.778	S	S	*	*			trans	-100.4	107.6	165.8	-63.9	176	0	0	0	107.5	S829 Q833	S829-I831 PolarHBondContact O-N 3.35Å; I831-Q833 PolarHBondContact O-N 3.48Å
832	T	29.4	Very low	29.8	Very low	132 Å²	132	152.6 Å²	152.6	81%	0.81	77%	0.768	S	S	*	*			trans	-74.4	111.9	166.2	47.9	0	0	0	0	109.2	H834	T832-H834 PolarHBondContact O-N 3.39Å
833	Q	25.9	Very low	30.4	Very low	180 Å²	180	151.1 Å²	151.1	84%	0.841	76%	0.764	S	S	*	*			trans	-71.4	124.5	169.8	-83.9	-179.2	-41.2	0	0	110.7	I831	I831-Q833 PolarHBondContact O-N 3.48Å
834	H	31.1	Very low	30.6	Very low	169 Å²	169	146.8 Å²	146.8	78%	0.782	75%	0.752	S	S	*	*			trans	-145	131.2	150.6	-116	-71.6	0	0	0	109.9	T832	T832-H834 PolarHBondContact O-N 3.39Å
835	D	35.4	Very low	31.1	Very low	140 Å²	140	147 Å²	147	75%	0.749	75%	0.754	S	S	*	*			trans	72.6	67.2	152.1	-50.1	-20.3	0	0	0	120.6
836	L	28.4	Very low	31.3	Very low	164 Å²	164	147.5 Å²	147.5	86%	0.859	76%	0.756	S	S	*	*				-6.4	152.5	125.7	-127.5	132.5	0	0	0	119.7
837	I	32.6	Very low	31.9	Very low	128 Å²	128	150.7 Å²	150.7	66%	0.656	77%	0.765	S	S	*	*			trans	88.2	100.8	160.5	-35.3	167.8	0	0	0	119.9
838	H	39.2	Very low	32.2	Very low	155 Å²	155	150.2 Å²	150.2	72%	0.718	76%	0.758	S	S	*	*				171.6	142.5	109.2	-95.2	-64.2	0	0	0	115.5
839	H	38	Very low	32.6	Very low	157 Å²	157	154 Å²	154	73%	0.727	76%	0.761	S	S	*	*			trans	23.2	129.9	162.2	-61	-70.5	0	0	0	122.3
840	K	34.2	Very low	33	Very low	176 Å²	176	155 Å²	155	77%	0.765	76%	0.758	S	S	*	*			cis	93.6	130.5	28.1	-159	-163.7	-177.8	173.9	0	115.3
841	K	34.1	Very low	33.5	Very low	162 Å²	162	154.2 Å²	154.2	70%	0.704	76%	0.757	S	S	*	*			trans	84	150.6	168.2	-60.3	-162.1	132.1	-129	0	117.9
842	D	36.3	Very low	33.7	Very low	101 Å²	101	153.9 Å²	153.9	54%	0.54	76%	0.757	S	S	.	*			cis	-157.8	135.6	-28.3	-75.6	-33.7	0	0	0	103.7
843	H	38.4	Very low	33.9	Very low	159 Å²	159	156.4 Å²	156.4	74%	0.736	76%	0.756	S	S	*	*				-172	172.6	76.4	-91.3	-84.2	0	0	0	107.3
844	Q	32.6	Very low	34.4	Very low	150 Å²	150	153.9 Å²	153.9	70%	0.701	75%	0.749	S	S	*	*			cis	68.5	106.7	48	-91.4	-178.2	-26.8	0	0	117
845	D	36.5	Very low	34.6	Very low	163 Å²	163	157.1 Å²	157.1	87%	0.872	76%	0.756	S	S	*	*				-158.7	153.5	109	-104	-25.6	0	0	0	112.7
846	H	31.4	Very low	34.4	Very low	153 Å²	153	158.7 Å²	158.7	71%	0.708	76%	0.756	S	S	*	*			trans	-95.9	156.1	179.2	-87.8	-97.5	0	0	0	111.1
847	D	38.3	Very low	34.6	Very low	166 Å²	166	158.2 Å²	158.2	89%	0.888	75%	0.749	S	S	*	*				-156.2	138.8	129.7	-110.2	-25.7	0	0	0	111.5
848	Q	30.6	Very low	34.6	Very low	149 Å²	149	162.8 Å²	162.8	70%	0.696	76%	0.758	S	S	*	*			trans	-141.7	132.2	-176.5	176.8	173	-20.3	0	0	108.8
849	F	35	Very low	34.2	Very low	204 Å²	204	162.5 Å²	162.5	90%	0.895	76%	0.761	S	S	*	*			trans	-119	116.2	175.7	-117.5	-85.6	0	0	0	111.2
850	D	33	Very low	33.7	Very low	116 Å²	116	159.6 Å²	159.6	62%	0.62	76%	0.758	S	S	*	*			trans	-73.7	155.2	171.4	-84.4	-50.3	0	0	0	112.1
851	L	37.2	Very low	33.5	Very low	170 Å²	170	156.6 Å²	156.6	89%	0.89	76%	0.76	S	S	*	*				-170.6	119.2	114.4	-101.7	156.4	0	0	0	114.2
852	N	29.7	Very low	33.2	Very low	138 Å²	138	154.5 Å²	154.5	74%	0.738	77%	0.766	S	S	*	*			trans	-69.2	152.2	172.8	-97.9	-64.6	0	0	0	113.9
853	K	34.8	Very low	32.9	Very low	184 Å²	184	155 Å²	155	80%	0.8	77%	0.772	S	S	*	*				-174.2	125.9	121.1	-104.4	165.7	-176	173.2	0	116
854	N	35.5	Very low	32.6	Very low	128 Å²	128	153.2 Å²	153.2	68%	0.684	77%	0.768	S	S	*	*			trans	55.3	118.9	142	-59	-14.8	0	0	0	120.9
855	Y	35.7	Very low	32.5	Very low	236 Å²	236	153.1 Å²	153.1	93%	0.925	77%	0.772	S	S	*	*				-158.7	167.6	85.1	-112.5	-90.1	0	0	0	111.1
856	K	30.1	Very low	32.3	Very low	174 Å²	174	153.1 Å²	153.1	76%	0.757	77%	0.766	S	S	*	*			trans	-130	162	-153.1	-166.2	179.7	-174.7	179.8	0	112.9
857	H	33.5	Very low	32.3	Very low	153 Å²	153	153.2 Å²	153.2	71%	0.708	77%	0.767	S	S	*	*			trans	86.7	137.6	176	-59.4	-85.9	0	0	0	115.6
858	R	32.9	Very low	31.9	Very low	225 Å²	225	153.2 Å²	153.2	85%	0.849	76%	0.762	S	S	*	*			cis	-132	138.1	8.3	-72.9	-178	174.6	157.5	-2.5	110.5
859	L	30.1	Very low	32	Very low	148 Å²	148	154.1 Å²	154.1	78%	0.775	77%	0.766	S	S	*	*				42.8	136.5	104.8	-74	97.2	0	0	0	116.4
860	S	27.6	Very low	31.8	Very low	96 Å²	96	152.8 Å²	152.8	67%	0.671	76%	0.763	S	S	*	*			cis	178.9	126.3	-8.4	45.6	0	0	0	0	110.8
861	S	31	Very low	31.6	Very low	114 Å²	114	157.9 Å²	157.9	80%	0.797	77%	0.773	S	S	*	*			trans	161.5	84.6	147.8	60.3	0	0	0	0	111.3
862	S	28.1	Very low	31.2	Very low	118 Å²	118	157.1 Å²	157.1	83%	0.825	77%	0.769	S	S	*	*			trans	-128.1	75	176.4	60.8	0	0	0	0	110.6
863	T	29.5	Very low	31.1	Very low	110 Å²	110	159.7 Å²	159.7	68%	0.675	78%	0.777	S	S	*	*	S	Bend	trans	-135.4	-16.8	178.4	35.8	0	0	0	0	115.1
864	D	31.1	Very low	31	Very low	122 Å²	122	158.7 Å²	158.7	65%	0.652	78%	0.775	S	S	*	*	S	Bend	trans	-93.6	-16.2	-173.5	-60.5	-52	0	0	0	115.2	Q866	D864-Q866 PolarHBondContact O-N 3.32Å
865	L	31.8	Very low	30.6	Very low	148 Å²	148	160.4 Å²	160.4	78%	0.775	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-17.1	-176.1	-112.1	80.8	0	0	0	115.1
866	Q	31.9	Very low	30.5	Very low	163 Å²	163	154.4 Å²	154.4	76%	0.762	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-10.5	-177.2	-79.4	-175.1	-31.2	0	0	114.6	D864	D864-Q866 PolarHBondContact O-N 3.32Å
867	Q	30.2	Very low	30.6	Very low	156 Å²	156	150.6 Å²	150.6	73%	0.729	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-13.3	174.7	-75.2	-169.7	-10	0	0	114.3
868	Q	31.5	Very low	30.7	Very low	166 Å²	166	152.9 Å²	152.9	78%	0.776	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-79.8	-17.7	172.7	-81.6	-172.9	-28.2	0	0	114.1	Q870	Q868-Q870 VanDerWaalsContact C-N 3.32Å; Q868-Q870 PolarHBondContact O-N 2.92Å
869	Q	31.1	Very low	30.8	Very low	167 Å²	167	145 Å²	145	78%	0.78	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-81.1	2.2	-177.2	-82.6	-179.5	-35.8	0	0	115.4
870	Q	31.1	Very low	31	Very low	177 Å²	177	142.2 Å²	142.2	83%	0.827	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-117.6	7.6	-175.6	-78.5	-172.8	-24	0	0	116.1	Q868	Q868-Q870 VanDerWaalsContact C-N 3.32Å; Q868-Q870 PolarHBondContact O-N 2.92Å
871	R	30	Very low	32.1	Very low	223 Å²	223	144.8 Å²	144.8	84%	0.842	73%	0.727	S	S	*	*	S	Bend	trans	-111.2	1.6	-173.3	-70.6	-161.4	-172.2	-167.1	4.9	118
872	L	28.9	Very low	32.5	Very low	154 Å²	154	142.8 Å²	142.8	81%	0.806	71%	0.713	S	S	*	*			trans	-128.8	77.4	-177.3	-70.3	171.6	0	0	0	112.7
873	Q	26.5	Very low	33	Very low	192 Å²	192	142.4 Å²	142.4	90%	0.897	70%	0.701	S	S	*	*			trans	-105.1	77.4	158.8	-73.5	-165.4	-6	0	0	109.7	K875	Q873-K875 PolarHBondContact O-N 3.42Å
874	Q	32.8	Very low	33.4	Very low	163 Å²	163	143 Å²	143	76%	0.762	70%	0.696	S	S	*	*			trans	-80.4	111.2	167.2	-84	179.2	-34.6	0	0	109.3
875	K	27.9	Very low	33.7	Very low	164 Å²	164	143.7 Å²	143.7	71%	0.713	70%	0.699	S	S	*	*			trans	-74.3	127.4	165.1	-75.2	177.1	173.5	177.3	0	108.4	Q873 I877	Q873-K875 PolarHBondContact O-N 3.42Å; K875-I877 HydrophobicContact CB-CD1 4.24Å; K875-I877 WeakPolarHBondContact O-CD1 3.49Å
876	S	33.3	Very low	34.1	Very low	109 Å²	109	144.6 Å²	144.6	76%	0.762	70%	0.699	S	S	*	*			trans	-83	135.6	165.2	39.7	0	0	0	0	110.2
877	I	31.9	Very low	34.1	Very low	95 Å²	95	140.8 Å²	140.8	49%	0.487	69%	0.688	S	S	.	*			trans	-121.9	131.7	174.6	-63.8	91.5	0	0	0	108	K875 W895	K875-I877 HydrophobicContact CB-CD1 4.24Å; K875-I877 WeakPolarHBondContact O-CD1 3.49Å; I877-W895 HydrophobicContact CB-CH2 3.72Å; I877-W895 HydrophobicContact CB-CZ3 4.36Å; I877-W895 HydrophobicContact CD1-CH2 3.73Å; I877-W895 HydrophobicContact CD1-CZ3 3.65Å; I877-W895 HydrophobicContact CG1-CH2 3.61Å; I877-W895 HydrophobicContact CG1-CZ3 3.72Å; I877-W895 HydrophobicContact CG2-CH2 3.66Å; I877-W895 HydrophobicContact CG2-CZ2 4.35Å; I877-W895 HydrophobicContact CG2-CZ3 4.42Å
878	F	34.6	Very low	34.4	Very low	200 Å²	200	136.4 Å²	136.4	88%	0.877	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-81.6	117.6	170.9	-73	-89.3	0	0	0	109.7
879	V	36.3	Very low	34.8	Very low	61 Å²	61	130 Å²	130	37%	0.37	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-101	120.5	173.9	-178.1	0	0	0	0	108.7	F890	V879-F890 HydrophobicContact CG1-CB 4.37Å; V879-F890 HydrophobicContact CG1-CD1 4.15Å
880	P	34.4	Very low	35.3	Very low	88 Å²	88	126.5 Å²	126.5	57%	0.571	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-69.6	133.3	174.3	28.3	-32.5	0	0	0	110.4	L891	P880-L891 HydrophobicContact CG-CB 4.18Å; P880-L891 PolarHBondContact O-N 2.94Å
881	Y	50.6	Low	35.8	Very low	150 Å²	150	123.9 Å²	123.9	59%	0.588	62%	0.616	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.7	162.5	174.8	70.5	-92.3	0	0	0	111.7	L888 C889	Y881-L888 HydrophobicContact CD2-CD1 4.14Å; Y881-L888 HydrophobicContact CD2-CD2 4.18Å; Y881-L888 HydrophobicContact CD2-CG 3.98Å; Y881-L888 HydrophobicContact CE2-CD1 4.22Å; Y881-L888 HydrophobicContact CG-CD2 4.26Å; Y881-C889 CarbonylContact C-O 3.5Å; Y881-C889 WeakPolarHBondContact CA-O 3.45Å; Y881-C889 WeakPolarHBondContact CB-O 3.4Å
882	C	38.2	Very low	36.2	Very low	72 Å²	72	120.5 Å²	120.5	49%	0.486	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.7	138.8	177	173.8	0	0	0	0	108.9	C889	C882-C889 HydrophobicContact CB-CB 4.5Å; C882-C889 PolarHBondContact N-O 3.17Å; C882-C889 PolarHBondContact O-N 3.08Å
883	L	38.9	Very low	36.7	Very low	110 Å²	110	116.2 Å²	116.2	58%	0.576	59%	0.592	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.9	117.8	169.8	-156.6	87.5	0	0	0	109.2	T887 L888	L883-T887 WeakPolarHBondContact CA-O 3.18Å; L883-L888 HydrophobicContact CD1-CB 4.15Å; L883-L888 HydrophobicContact CD1-CD1 3.99Å; L883-L888 HydrophobicContact CD1-CG 4.25Å
884	H	38.5	Very low	37	Very low	124 Å²	124	114.8 Å²	114.8	57%	0.574	59%	0.591	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-134.5	123.4	178.2	-169.5	65.1	0	0	0	110.2	Q886 T887	H884-Q886 PolarHBondContact O-N 3.32Å; H884-T887 PolarHBondContact N-O 2.87Å; H884-T887 WeakPolarHBondContact O-CA 3.42Å; H884-T887 WeakPolarHBondContact O-CB 3.17Å; H884-T887 PolarHBondContact O-N 3.06Å; H884-T887 PolarHBondContact O-OG1 3.33Å
885	N	37.7	Very low	37.2	Very low	135 Å²	135	114 Å²	114	72%	0.722	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	43.9	57.2	-175.6	-71	-7	0	0	0	113.3	T887	N885-T887 PolarHBondContact O-N 3.34Å; N885-T887 PolarHBondContact O-OG1 3.28Å; N885-T887 VanDerWaalsContact O-OG1 3.09Å
886	Q	39.3	Very low	37.5	Very low	167 Å²	167	113.2 Å²	113.2	78%	0.78	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.6	9	-177.5	-57.6	176.7	-20.8	0	0	115.2	H884 F920	H884-Q886 PolarHBondContact O-N 3.32Å; Q886-F920 WeakPolarHBondContact O-CE2 3.41Å
887	T	32.6	Very low	37.4	Very low	84 Å²	84	114.9 Å²	114.9	52%	0.515	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.6	133.5	179.8	-43.6	0	0	0	0	109	L883 H884 N885	L883-T887 WeakPolarHBondContact CA-O 3.18Å; H884-T887 PolarHBondContact N-O 2.87Å; H884-T887 WeakPolarHBondContact O-CA 3.42Å; H884-T887 WeakPolarHBondContact O-CB 3.17Å; H884-T887 PolarHBondContact O-N 3.06Å; H884-T887 PolarHBondContact O-OG1 3.33Å; N885-T887 PolarHBondContact O-N 3.34Å; N885-T887 PolarHBondContact O-OG1 3.28Å; N885-T887 VanDerWaalsContact O-OG1 3.09Å
888	L	37.2	Very low	37.5	Very low	63 Å²	63	116.9 Å²	116.9	33%	0.33	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.8	116.3	-178.1	-160.5	142	0	0	0	109.4	Y881 L883 F890	Y881-L888 HydrophobicContact CD2-CD1 4.14Å; Y881-L888 HydrophobicContact CD2-CD2 4.18Å; Y881-L888 HydrophobicContact CD2-CG 3.98Å; Y881-L888 HydrophobicContact CE2-CD1 4.22Å; Y881-L888 HydrophobicContact CG-CD2 4.26Å; L883-L888 HydrophobicContact CD1-CB 4.15Å; L883-L888 HydrophobicContact CD1-CD1 3.99Å; L883-L888 HydrophobicContact CD1-CG 4.25Å; L888-F890 HydrophobicContact CD2-CD1 4.38Å; L888-F890 HydrophobicContact CD2-CD2 4.29Å; L888-F890 HydrophobicContact CD2-CE1 3.69Å; L888-F890 HydrophobicContact CD2-CE2 3.58Å; L888-F890 HydrophobicContact CD2-CZ 3.24Å
889	C	39.2	Very low	37.4	Very low	32 Å²	32	115.1 Å²	115.1	22%	0.216	60%	0.595	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.6	127.5	-172.6	-60.4	0	0	0	0	110.8	Y881 C882	Y881-C889 CarbonylContact C-O 3.5Å; Y881-C889 WeakPolarHBondContact CA-O 3.45Å; Y881-C889 WeakPolarHBondContact CB-O 3.4Å; C882-C889 HydrophobicContact CB-CB 4.5Å; C882-C889 PolarHBondContact N-O 3.17Å; C882-C889 PolarHBondContact O-N 3.08Å
890	F	41.7	Very low	37.1	Very low	94 Å²	94	119.8 Å²	119.8	41%	0.412	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.6	149.6	176.7	-58.9	-84.4	0	0	0	111.7	V879 L888 V945	V879-F890 HydrophobicContact CG1-CB 4.37Å; V879-F890 HydrophobicContact CG1-CD1 4.15Å; L888-F890 HydrophobicContact CD2-CD1 4.38Å; L888-F890 HydrophobicContact CD2-CD2 4.29Å; L888-F890 HydrophobicContact CD2-CE1 3.69Å; L888-F890 HydrophobicContact CD2-CE2 3.58Å; L888-F890 HydrophobicContact CD2-CZ 3.24Å; F890-V945 HydrophobicContact CE1-CG1 4.16Å; F890-V945 HydrophobicContact CE1-CG2 4.49Å; F890-V945 HydrophobicContact CZ-CG1 4.08Å; F890-V945 HydrophobicContact CZ-CG2 4.19Å
891	L	41.6	Very low	36.8	Very low	122 Å²	122	124.8 Å²	124.8	64%	0.639	63%	0.626	S	S	*	*			trans	-86.7	120	173.3	-146.5	99.1	0	0	0	110.9	P880 S893	P880-L891 HydrophobicContact CG-CB 4.18Å; P880-L891 PolarHBondContact O-N 2.94Å; L891-S893 PolarHBondContact O-N 2.95Å
892	Q	37.8	Very low	35.7	Very low	152 Å²	152	124.8 Å²	124.8	71%	0.71	63%	0.631	S	S	*	*			trans	-78.5	108.6	174.9	-172.7	174.1	0.7	0	0	110.4
893	S	39.1	Very low	35.2	Very low	64 Å²	64	129 Å²	129	45%	0.448	65%	0.649	S	S	.	*			trans	-105.1	140.9	172.2	48.9	0	0	0	0	111.3	L891 W895	L891-S893 PolarHBondContact O-N 2.95Å; S893-W895 PolarHBondContact O-N 2.88Å; S893-W895 PolarHBondContact O-NE1 2.89Å
894	D	34.3	Very low	34.7	Very low	161 Å²	161	128.3 Å²	128.3	86%	0.861	65%	0.653	S	S	*	*			trans	-70.1	121.3	179.6	-85.6	-49	0	0	0	112.3	N896	D894-N896 PolarHBondContact O-N 3.33Å
895	W	36.6	Very low	34.1	Very low	148 Å²	148	132.9 Å²	132.9	56%	0.561	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	10.1	-169.8	-75.9	86.8	0	0	0	116.2	I877 S893	I877-W895 HydrophobicContact CB-CH2 3.72Å; I877-W895 HydrophobicContact CB-CZ3 4.36Å; I877-W895 HydrophobicContact CD1-CH2 3.73Å; I877-W895 HydrophobicContact CD1-CZ3 3.65Å; I877-W895 HydrophobicContact CG1-CH2 3.61Å; I877-W895 HydrophobicContact CG1-CZ3 3.72Å; I877-W895 HydrophobicContact CG2-CH2 3.66Å; I877-W895 HydrophobicContact CG2-CZ2 4.35Å; I877-W895 HydrophobicContact CG2-CZ3 4.42Å; S893-W895 PolarHBondContact O-N 2.88Å; S893-W895 PolarHBondContact O-NE1 2.89Å
896	N	34.1	Very low	33.5	Very low	146 Å²	146	135.4 Å²	135.4	78%	0.781	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	6.8	-164.3	-79.2	-26.5	0	0	0	117	D894	D894-N896 PolarHBondContact O-N 3.33Å
897	N	31.4	Very low	32.8	Very low	145 Å²	145	133.4 Å²	133.4	78%	0.775	68%	0.68	S	S	*	*			trans	-149.5	97.5	174.8	-84	-60.5	0	0	0	112.5
898	I	32.6	Very low	32.5	Very low	137 Å²	137	135.3 Å²	135.3	70%	0.703	69%	0.686	S	S	*	*			trans	-88.4	-10.2	-179.2	-70.6	177.6	0	0	0	113.4
899	D	33	Very low	32	Very low	163 Å²	163	138.5 Å²	138.5	87%	0.872	70%	0.704	S	S	*	*	S	Bend	trans	-93.7	12.1	-175.4	-73.7	-25.6	0	0	0	115.6
900	K	30	Very low	31.5	Very low	159 Å²	159	143 Å²	143	69%	0.691	73%	0.73	S	S	*	*			trans	-139.1	115.4	175.2	-73.9	-171.7	176.9	-178.5	0	113.9	E902	K900-E902 PolarHBondContact O-N 2.84Å
901	Q	27.6	Very low	30.9	Very low	193 Å²	193	143.7 Å²	143.7	90%	0.902	74%	0.742	S	S	*	*			trans	-70.9	98.6	159.2	-74.7	-177.2	-23	0	0	109.9
902	E	28.2	Very low	30.2	Very low	150 Å²	150	142.8 Å²	142.8	70%	0.701	74%	0.738	S	S	*	*			trans	-112.3	98.2	162	-79.9	-171.4	-176.9	0	0	110.5	K900 S904	K900-E902 PolarHBondContact O-N 2.84Å; E902-S904 PolarHBondContact O-N 3.1Å
903	N	28.9	Very low	29.7	Very low	160 Å²	160	142.9 Å²	142.9	86%	0.856	73%	0.733	S	S	*	*			trans	-67.9	89.9	171.4	-70.5	-24.9	0	0	0	110.1
904	S	26.7	Very low	29.2	Very low	95 Å²	95	146.6 Å²	146.6	66%	0.664	75%	0.753	S	S	*	*			trans	-136.3	114.3	167.8	67.4	0	0	0	0	111.8	E902	E902-S904 PolarHBondContact O-N 3.1Å
905	F	26.4	Very low	28.8	Very low	221 Å²	221	149.2 Å²	149.2	97%	0.969	75%	0.753	S	S	*	*			trans	-76.9	122.6	172.1	-78.9	-93.1	0	0	0	109.4
906	K	24.6	Very low	28.5	Very low	188 Å²	188	152.3 Å²	152.3	82%	0.817	77%	0.77	S	S	*	*			trans	-115	127	173.3	-129.7	178.5	-176	179.3	0	108.7
907	S	25.1	Very low	28.2	Very low	124 Å²	124	150.4 Å²	150.4	87%	0.867	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-72.3	124.7	170.3	54.3	0	0	0	0	109.7
908	I	27.3	Very low	28.2	Very low	125 Å²	125	150.5 Å²	150.5	64%	0.641	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-103.3	140.5	176.2	-61.7	179.7	0	0	0	109.5
909	N	26.1	Very low	28.1	Very low	130 Å²	130	150.8 Å²	150.8	70%	0.695	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-82.2	166.4	-172.8	-112.4	-12.8	0	0	0	112.5	T911	N909-T911 VanDerWaalsContact C-N 3.27Å; N909-T911 PolarHBondContact O-N 2.67Å
910	T	27.9	Very low	28	Very low	126 Å²	126	149.6 Å²	149.6	77%	0.773	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	35.3	-164.4	56.7	0	0	0	0	116.4
911	T	29.5	Very low	28.1	Very low	108 Å²	108	152.9 Å²	152.9	66%	0.663	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.5	-15.2	-170.5	50.7	0	0	0	0	116.7	N909	N909-T911 VanDerWaalsContact C-N 3.27Å; N909-T911 PolarHBondContact O-N 2.67Å
912	D	26.4	Very low	28.4	Very low	104 Å²	104	149.7 Å²	149.7	56%	0.556	76%	0.758	S	S	*	*			trans	-110.8	66.1	-165.3	-55.1	-15.1	0	0	0	111.6
913	Y	28.2	Very low	28.6	Very low	154 Å²	154	151.6 Å²	151.6	60%	0.604	77%	0.772	S	S	*	*			trans	-130.9	123.2	176.5	-63.5	-77.6	0	0	0	112.1
914	T	28.1	Very low	28.8	Very low	142 Å²	142	148.3 Å²	148.3	87%	0.871	76%	0.762	S	S	*	*			trans	-85.7	119.9	167.8	34.7	0	0	0	0	110.4
915	Y	26.4	Very low	29	Very low	216 Å²	216	148.6 Å²	148.6	85%	0.847	76%	0.756	S	S	*	*			trans	-78.3	135.1	-179.1	-91.3	-104.5	0	0	0	112.5
916	F	29.5	Very low	29.3	Very low	212 Å²	212	141.1 Å²	141.1	93%	0.93	73%	0.731	S	S	*	*			trans	-140.5	127.5	157.5	-90.3	-82.2	0	0	0	110.8
917	S	27.8	Very low	29.7	Very low	107 Å²	107	134.6 Å²	134.6	75%	0.748	71%	0.707	S	S	*	*			trans	-113.2	124.8	172.1	59.6	0	0	0	0	109.8
918	N	31.7	Very low	30	Very low	147 Å²	147	135.6 Å²	135.6	79%	0.786	70%	0.696	S	S	*	*			trans	-162.1	157	154.1	-96.8	-25.8	0	0	0	110
919	N	30.6	Very low	30.3	Very low	143 Å²	143	133.7 Å²	133.7	77%	0.765	69%	0.69	S	S	*	*			trans	-62.5	131.6	-157.9	-66.8	-34.4	0	0	0	115.4	Y921	N919-Y921 PolarHBondContact O-N 3.33Å
920	F	31.1	Very low	30.5	Very low	138 Å²	138	136.2 Å²	136.2	61%	0.605	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	83.1	171.9	-83.9	-93.8	0	0	0	111.9	Q886	Q886-F920 WeakPolarHBondContact O-CE2 3.41Å
921	Y	32.9	Very low	30.7	Very low	228 Å²	228	135.7 Å²	135.7	89%	0.894	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.1	-13.6	161.1	-83.9	-73.2	0	0	0	114.7	N919	N919-Y921 PolarHBondContact O-N 3.33Å
922	D	32.2	Very low	30.8	Very low	125 Å²	125	138.6 Å²	138.6	67%	0.668	70%	0.703	S	S	*	*			trans	-103.9	122.3	169.2	-95.9	-45.9	0	0	0	111.2	S924	D922-S924 PolarHBondContact O-N 3.3Å; D922-S924 VanDerWaalsContact O-N 3.08Å
923	L	32.7	Very low	31.1	Very low	190 Å²	190	138.5 Å²	138.5	100%	0.995	71%	0.71	S	S	*	*	S	Bend	trans	-82.3	36.2	176.9	-97.9	158.4	0	0	0	112.4
924	S	32.7	Very low	31.2	Very low	92 Å²	92	136.3 Å²	136.3	64%	0.643	72%	0.717	S	S	*	*			trans	-142.2	54.8	-178.3	65.3	0	0	0	0	112.5	D922	D922-S924 PolarHBondContact O-N 3.3Å; D922-S924 VanDerWaalsContact O-N 3.08Å
925	N	32.6	Very low	31.3	Very low	100 Å²	100	136.2 Å²	136.2	54%	0.535	71%	0.712	S	S	.	*			trans	-94.8	102.7	174.7	-75.7	-29	0	0	0	110.6
926	S	31.4	Very low	31.4	Very low	65 Å²	65	136.3 Å²	136.3	46%	0.455	71%	0.712	S	S	.	*			trans	-71.4	136.9	169.4	51.6	0	0	0	0	110.8
927	V	33.6	Very low	31.5	Very low	50 Å²	50	133.1 Å²	133.1	30%	0.303	70%	0.704	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106	110.1	-175.4	-179.2	0	0	0	0	109.6	V929 F943 V945	V927-V929 HydrophobicContact CG1-CG2 4.17Å; V927-F943 PolarHBondContact N-O 3.42Å; V927-F943 VanDerWaalsContact N-O 3.1Å; V927-V945 HydrophobicContact CB-CG2 3.85Å; V927-V945 HydrophobicContact CG2-CB 4.27Å; V927-V945 HydrophobicContact CG2-CG2 3.61Å
928	K	31.6	Very low	31.6	Very low	146 Å²	146	137 Å²	137	64%	0.635	71%	0.711	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.5	108.5	175.3	-64	-163.8	-179.1	-142.4	0	110.7	E942	K928-E942 WeakPolarHBondContact CE-OE1 2.93Å; K928-E942 IonicContact NZ-OE1 2.67Å; K928-E942 PolarHBondContact NZ-OE1 2.96Å
929	V	33.2	Very low	31.6	Very low	84 Å²	84	136.7 Å²	136.7	51%	0.509	71%	0.709	S	S	.	*			trans	-95.8	117.9	174.1	-176.7	0	0	0	0	109.1	V927 T931	V927-V929 HydrophobicContact CG1-CG2 4.17Å; V929-T931 HydrophobicContact CG1-CG2 4.48Å
930	K	29.7	Very low	31.6	Very low	184 Å²	184	138.1 Å²	138.1	80%	0.8	71%	0.711	S	S	*	*			trans	-89.9	117.8	166.5	-82.6	-173.6	172.5	-176.9	0	109.7
931	T	34	Very low	31.6	Very low	115 Å²	115	137.9 Å²	137.9	71%	0.706	71%	0.711	S	S	*	*			trans	-92.5	103.8	168	47.9	0	0	0	0	109.9	V929 S933	V929-T931 HydrophobicContact CG1-CG2 4.48Å; T931-S933 VanDerWaalsContact C-N 3.31Å; T931-S933 PolarHBondContact O-N 3.36Å
932	D	29.7	Very low	31.5	Very low	169 Å²	169	132.9 Å²	132.9	90%	0.904	70%	0.696	S	S	*	*			trans	-72.7	84.8	169.5	-76.5	-29.5	0	0	0	110
933	S	33.2	Very low	31.6	Very low	101 Å²	101	131.7 Å²	131.7	71%	0.706	69%	0.685	S	S	*	*			trans	-130.3	128.4	169.2	62.4	0	0	0	0	111.4	T931	T931-S933 VanDerWaalsContact C-N 3.31Å; T931-S933 PolarHBondContact O-N 3.36Å
934	S	30.9	Very low	31.4	Very low	108 Å²	108	128.6 Å²	128.6	76%	0.755	67%	0.67	S	S	*	*			trans	-64.3	150.1	-167.1	50.6	0	0	0	0	116.2
935	N	30	Very low	31.4	Very low	141 Å²	141	130.2 Å²	130.2	75%	0.754	68%	0.676	S	S	*	*	S	Bend	trans	75	105.8	160.8	-72.8	-15.1	0	0	0	118.8
936	Y	29.1	Very low	31.3	Very low	217 Å²	217	131.7 Å²	131.7	85%	0.851	68%	0.683	S	S	*	*	S	Bend	trans	71.3	129.8	158.9	-71.9	-92.8	0	0	0	118.3
937	N	30.4	Very low	31.3	Very low	145 Å²	145	135.2 Å²	135.2	78%	0.775	70%	0.695	S	S	*	*			trans	71.7	114.2	-178	-61.9	-10.2	0	0	0	116.2	D939	N937-D939 PolarHBondContact O-N 3.09Å
938	H	29.6	Very low	31.2	Very low	190 Å²	190	139.9 Å²	139.9	88%	0.88	72%	0.716	S	S	*	*			trans	-81.9	97.4	169.7	-72.6	-72.9	0	0	0	110.1
939	D	31.6	Very low	31.2	Very low	139 Å²	139	139.6 Å²	139.6	74%	0.743	72%	0.721	S	S	*	*			trans	-105.1	95.6	162.3	-74	-33.5	0	0	0	108.5	N937 Q941	N937-D939 PolarHBondContact O-N 3.09Å; D939-Q941 PolarHBondContact O-N 2.94Å
940	E	30.7	Very low	31	Very low	174 Å²	174	143.1 Å²	143.1	81%	0.813	73%	0.734	S	S	*	*			trans	-69.3	115.7	170.5	-68.9	-167.8	144	0	0	109.4
941	Q	32.9	Very low	31.1	Very low	132 Å²	132	140.3 Å²	140.3	62%	0.617	73%	0.73	S	S	*	*			trans	-97.4	111.3	173.9	-67	-170.6	1.1	0	0	110.3	D939 F943	D939-Q941 PolarHBondContact O-N 2.94Å; Q941-F943 HydrophobicContact CB-CD2 4.44Å; Q941-F943 HydrophobicContact CB-CE2 3.69Å; Q941-F943 HydrophobicContact CB-CZ 4.04Å
942	E	30.7	Very low	30.9	Very low	124 Å²	124	142.1 Å²	142.1	58%	0.579	73%	0.732	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.7	118.4	176.2	-161.2	165.9	-122.1	0	0	109.3	K928	K928-E942 WeakPolarHBondContact CE-OE1 2.93Å; K928-E942 IonicContact NZ-OE1 2.67Å; K928-E942 PolarHBondContact NZ-OE1 2.96Å
943	F	32.4	Very low	31	Very low	99 Å²	99	140.1 Å²	140.1	43%	0.434	72%	0.719	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.8	118.8	179.9	-66.1	-87.5	0	0	0	110	V927 Q941	V927-F943 PolarHBondContact N-O 3.42Å; V927-F943 VanDerWaalsContact N-O 3.1Å; Q941-F943 HydrophobicContact CB-CD2 4.44Å; Q941-F943 HydrophobicContact CB-CE2 3.69Å; Q941-F943 HydrophobicContact CB-CZ 4.04Å
944	N	30.3	Very low	30.8	Very low	125 Å²	125	143.3 Å²	143.3	67%	0.668	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-81.4	124.5	160.8	-72	-30.2	0	0	0	107.8
945	V	31.4	Very low	30.8	Very low	126 Å²	126	146.5 Å²	146.5	76%	0.764	72%	0.716	S	S	*	*			trans	-98	0	177.4	177.4	0	0	0	0	109.4	F890 V927	F890-V945 HydrophobicContact CE1-CG1 4.16Å; F890-V945 HydrophobicContact CE1-CG2 4.49Å; F890-V945 HydrophobicContact CZ-CG1 4.08Å; F890-V945 HydrophobicContact CZ-CG2 4.19Å; V927-V945 HydrophobicContact CB-CG2 3.85Å; V927-V945 HydrophobicContact CG2-CB 4.27Å; V927-V945 HydrophobicContact CG2-CG2 3.61Å

Retrieved 945 of 945 residues in 174 ms (Link to these results)

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